A0A077ZDM8_TRITR Loading...

Fucosyltransferase AlphaSync

AlphaFold DB , UniProt , Accession A0A077ZDM8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,319 aa.

						>A0A077ZDM8_TRITR|A0A077ZDM8
MEGGFILTKWSSSKTERLEHFPETDRSDGIVNLRLSDIPLENVLGLLWDQRSDSFRFASDIDKAVLETLGPTRWVGAMSAAETNCVLHLIDVTSSYKRILRIMAYVCRFAYRRRGGSETLDADEIQHDRLNRFKILAWTPFFGDPFDNSVFRMCPNVPCEITNDRKEYNTSKAVLFHPRDINAKDMPGKRLSHMHYIFFLKESPHHVNLLLTAKDFFTLTMTYRRDSDIYMPYGWVRKMEKPINKSSWTTFLIETALKKRRLVAAFISNCHPPSAREIYIKALQQHVKVDVYGGCGPFKCPKSEGQKCLNMLRREYKFFLAFENSVCKDYVTEKLFRSLQYNVVPVVLSRSIAAPFLPNGSFIAADDFATVKELALYLRQLDHDMENYLKYFDWMKSHEVIDAPDMESLAFCRLCKVLMNAPLGTVDRSKSAENIVKWYLLEGSCLRDYGKRIIVLIFVINGKLSLPFISTEGVQQDRLNRFKILAWTGFWGVPFNDSVFRLCPNVPCEITNDRNEYNTSKAVLFHPSDINTKDMPGERLPHMHYVLFLKEPPQNAALQLTAKDFYTLTMTYRRDSDIYVPYGWVRKMEKSINKSSWRSFLKETALKKRRLVAAFTSNCHPPSAREVYIKALQQHVNVDVYGQCGPLKCPKSEREKCLNMLRQEYKFFLAFENNVCKDYVTEKLFRSLLYNVVPVVLSRSIAAPFLPNGSFIAIDDFATAKELALYLRQLDRDMEKYLKYFDWMKSHEVIDEPDMESLAFCRLCKVLKNAPLGTADRSKSAEDIVKWFILDGRCLRDYGKRFIVLIFVINGKLSLLFISTERIKHYRLKHFKILMWTRFFDWKFNNSQFRMCPNVPCELTYDREEYITSKAVVFHPFNINAADMPVERLPHMHYILFLKEPPPNVNLLKTVKDFFTLTMTYRRDSDIYMPYGWVKKMEKSINISSWTTFLIETALKKRRLVAAFISNCRPPSARDIYIKALQQHVEVDVYGRCGPLKCPKSEQEKCLDMLRREYKFFLAFENSVCKDYVTEKLFRSLQYNVVPVVLSRSIAAPFLPNGSFIAADDFATAKELALYLRQLDHDMEKYLKYFDWMKSHEVMDERDMQSLAFCRLCKVLMNAPLGTADRSKSAEDIVKWYVLDGRCLPDYGKRFIVLIFVINGKLSLPFITTERIKHDRMNRFKILAWTPFFGDPFDNSVFRMCPXVPCEITNDRKEYNTSKAVLFHPRDINAKDMPGKRLSHMHYIFFLKESPHHVNLLLTAKDFFTLTMTYRRDSDIYMPYEWVKKMEKLISKLYWHNFLVEIALKKRPLVAAFISHCST
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.6	Very low	71.7	Confident	176 Å²	176	119.1 Å²	119.1	87%	0.867	65%	0.645	S	S	*	*				0	-50.6	0	-75.3	-164.9	-52	0	0	112.8	G3 G4 F5 I6	M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 2.95Å; M1-G4 PolarHBondContact O-N 3.35Å; M1-F5 VanDerWaalsContact CA-O 3.28Å; M1-F5 WeakPolarHBondContact CA-O 3.32Å; M1-F5 PolarHBondContact N-O 3.24Å; M1-I6 HydrophobicContact CG-CG1 4.5Å
2	E	53.1	Low	72.5	Confident	206 Å²	206	111.2 Å²	111.2	96%	0.963	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-31.4	-177.8	-75.3	-175.7	149.4	0	0	114.6	G4	E2-G4 PolarHBondContact O-N 2.94Å
3	G	62	Low	73.2	Confident	64 Å²	64	107.5 Å²	107.5	66%	0.66	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	5.2	172.4	0	0	0	0	0	115.2	M1 F5	M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 2.95Å; G3-F5 VanDerWaalsContact C-N 3.26Å; G3-F5 WeakPolarHBondContact O-CD2 3.39Å; G3-F5 WeakPolarHBondContact O-CE2 3.35Å; G3-F5 PolarHBondContact O-N 3.44Å
4	G	67	Low	73.8	Confident	69 Å²	69	108.9 Å²	108.9	71%	0.711	59%	0.59	S	S	*	*	S	Bend	trans	79.8	-0.4	-172.1	0	0	0	0	0	114.9	M1 E2	M1-G4 PolarHBondContact O-N 3.35Å; E2-G4 PolarHBondContact O-N 2.94Å
5	F	71.1	Confident	74.1	Confident	166 Å²	166	106.6 Å²	106.6	73%	0.728	58%	0.581	S	S	*	*			trans	-104.6	133.2	176.9	-58.1	-85.1	0	0	0	111	M1 G3	M1-F5 VanDerWaalsContact CA-O 3.28Å; M1-F5 WeakPolarHBondContact CA-O 3.32Å; M1-F5 PolarHBondContact N-O 3.24Å; G3-F5 VanDerWaalsContact C-N 3.26Å; G3-F5 WeakPolarHBondContact O-CD2 3.39Å; G3-F5 WeakPolarHBondContact O-CE2 3.35Å; G3-F5 PolarHBondContact O-N 3.44Å
6	I	76.4	Confident	74.5	Confident	118 Å²	118	108.3 Å²	108.3	61%	0.605	58%	0.584	S	S	*	*			trans	-95.1	120.9	171.1	-58.1	175.2	0	0	0	106.9	M1 T8	M1-I6 HydrophobicContact CG-CG1 4.5Å; I6-T8 HydrophobicContact CG2-CG2 4.46Å
7	L	78.4	Confident	74.7	Confident	119 Å²	119	112.4 Å²	112.4	62%	0.623	59%	0.589	S	S	*	*			trans	-75	127.1	176.6	-65.7	174.6	0	0	0	108.6	W10	L7-W10 HydrophobicContact CB-CZ2 3.83Å; L7-W10 HydrophobicContact CD1-CH2 4.21Å; L7-W10 HydrophobicContact CD1-CZ2 3.98Å; L7-W10 PolarHBondContact O-NE1 3.41Å; L7-W10 VanDerWaalsContact O-NE1 3.1Å
8	T	86	Confident	75	Confident	84 Å²	84	106.8 Å²	106.8	52%	0.515	56%	0.56	S	S	.	*			trans	-124.2	174.3	179.9	56.6	0	0	0	0	109.7	I6 D25	I6-T8 HydrophobicContact CG2-CG2 4.46Å; T8-D25 CarbonylContact C-O 3.47Å
9	K	81.8	Confident	75.4	Confident	164 Å²	164	107.7 Å²	107.7	71%	0.713	56%	0.561	S	S	*	*			trans	62.6	39.9	-176.3	-53.3	-177.1	177.6	-175.6	0	113.9	S11 D25	K9-S11 PolarHBondContact O-N 3.26Å; K9-D25 WeakPolarHBondContact CA-O 3.44Å; K9-D25 PolarHBondContact N-O 3.35Å
10	W	85.5	Confident	75.8	Confident	93 Å²	93	110.4 Å²	110.4	35%	0.352	57%	0.57	S	S	.	*	B	Isolated β-bridge	trans	-58.5	126	172.6	-68.1	95.2	0	0	0	109.9	L7 L18 F21 D25 S27	L7-W10 HydrophobicContact CB-CZ2 3.83Å; L7-W10 HydrophobicContact CD1-CH2 4.21Å; L7-W10 HydrophobicContact CD1-CZ2 3.98Å; L7-W10 PolarHBondContact O-NE1 3.41Å; L7-W10 VanDerWaalsContact O-NE1 3.1Å; W10-L18 WeakPolarHBondContact O-CD2 3.26Å; W10-F21 HydrophobicContact CB-CB 4.47Å; W10-F21 HydrophobicContact CB-CD1 4.46Å; W10-F21 HydrophobicContact CB-CD2 4.17Å; W10-F21 HydrophobicContact CB-CG 4.11Å; W10-F21 AromaticContact CD1-CD1 3.65Å; W10-F21 AromaticContact CD1-CG 3.99Å; W10-F21 AromaticContact CD2-CD1 3.69Å; W10-F21 HydrophobicContact CD2-CD1 3.69Å; W10-F21 HydrophobicContact CD2-CD2 4.45Å; W10-F21 AromaticContact CD2-CE1 3.44Å; W10-F21 HydrophobicContact CD2-CE1 3.44Å; W10-F21 VanDerWaalsContact CD2-CE1 3.44Å; W10-F21 HydrophobicContact CD2-CE2 4.25Å; W10-F21 HydrophobicContact CD2-CG 4.2Å; W10-F21 AromaticContact CD2-CZ 3.75Å; W10-F21 HydrophobicContact CD2-CZ 3.75Å; W10-F21 AromaticContact CE2-CD1 3.69Å; W10-F21 AromaticContact CE2-CE1 3.45Å; W10-F21 VanDerWaalsContact CE2-CE1 3.45Å; W10-F21 HydrophobicContact CE3-CD1 4.37Å; W10-F21 AromaticContact CE3-CE1 3.72Å; W10-F21 HydrophobicContact CE3-CE1 3.72Å; W10-F21 HydrophobicContact CE3-CE2 4.11Å; W10-F21 AromaticContact CE3-CZ 3.56Å; W10-F21 HydrophobicContact CE3-CZ 3.56Å; W10-F21 HydrophobicContact CG-CB 4.38Å; W10-F21 AromaticContact CG-CD1 3.69Å; W10-F21 HydrophobicContact CG-CD1 3.69Å; W10-F21 HydrophobicContact CG-CD2 4.21Å; W10-F21 AromaticContact CG-CE1 3.96Å; W10-F21 HydrophobicContact CG-CE1 3.96Å; W10-F21 HydrophobicContact CG-CE2 4.45Å; W10-F21 AromaticContact CG-CG 3.82Å; W10-F21 HydrophobicContact CG-CG 3.82Å; W10-F21 HydrophobicContact CG-CZ 4.33Å; W10-F21 AromaticContact CH2-CE1 3.99Å; W10-F21 HydrophobicContact CH2-CE1 3.99Å; W10-F21 HydrophobicContact CH2-CZ 4.27Å; W10-F21 HydrophobicContact CZ2-CD1 4.35Å; W10-F21 AromaticContact CZ2-CE1 3.73Å; W10-F21 HydrophobicContact CZ2-CE1 3.73Å; W10-F21 HydrophobicContact CZ2-CZ 4.43Å; W10-F21 AromaticContact CZ3-CE1 3.98Å; W10-F21 HydrophobicContact CZ3-CE1 3.98Å; W10-F21 AromaticContact CZ3-CZ 3.84Å; W10-F21 HydrophobicContact CZ3-CZ 3.84Å; W10-F21 AromaticContact NE1-CD1 3.67Å; W10-F21 AromaticContact NE1-CE1 3.94Å; W10-D25 PolarHBondContact N-O 2.99Å; W10-S27 WeakPolarHBondContact O-CB 3.31Å; W10-S27 PolarHBondContact O-N 3.49Å
11	S	81.9	Confident	76.2	Confident	51 Å²	51	108.3 Å²	108.3	36%	0.357	56%	0.557	S	S	.	*			trans	-125.2	139.9	177.9	61	0	0	0	0	110	K9	K9-S11 PolarHBondContact O-N 3.26Å
12	S	81.6	Confident	78.2	Confident	24 Å²	24	103.4 Å²	103.4	17%	0.168	54%	0.538	C	S	.	.			trans	-141.9	151.9	174.7	-165.9	0	0	0	0	110.5	K14 I30 V31	S12-K14 WeakPolarHBondContact CB-O 3.37Å; S12-K14 PolarHBondContact O-N 3.4Å; S12-K14 PolarHBondContact OG-N 2.76Å; S12-K14 PolarHBondContact OG-O 3.19Å; S12-I30 WeakPolarHBondContact O-CG2 3.47Å; S12-V31 CarbonylContact C-O 3.51Å; S12-V31 PolarHBondContact O-N 2.8Å
13	S	80.7	Confident	79.6	Confident	63 Å²	63	101 Å²	101	44%	0.441	53%	0.527	S	S	.	.	S	Bend	trans	-77.3	-6.3	168.4	52.6	0	0	0	0	113	V31	S13-V31 VanDerWaalsContact CA-O 3.29Å; S13-V31 WeakPolarHBondContact CA-O 3.48Å; S13-V31 PolarHBondContact N-O 2.9Å
14	K	81.8	Confident	80.7	Confident	127 Å²	127	103.9 Å²	103.9	55%	0.552	53%	0.532	S	S	*	.	S	Bend	trans	-124.2	123.9	175.2	-67.4	-168	174.9	-165.4	0	111.3	S12 E16 R17	S12-K14 WeakPolarHBondContact CB-O 3.37Å; S12-K14 PolarHBondContact O-N 3.4Å; S12-K14 PolarHBondContact OG-N 2.76Å; S12-K14 PolarHBondContact OG-O 3.19Å; K14-E16 VanDerWaalsContact C-N 3.35Å; K14-E16 PolarHBondContact O-N 2.87Å; K14-R17 HydrophobicContact CB-CG 4.29Å; K14-R17 PolarHBondContact O-N 2.79Å
15	T	79.1	Confident	81.6	Confident	75 Å²	75	102.1 Å²	102.1	46%	0.46	51%	0.506	S	S	.	.	H	α-helix	trans	-59.1	-42.3	-178.5	-30.3	0	0	0	0	112.8	R17 L18 E19 I30	T15-R17 PolarHBondContact O-N 2.99Å; T15-L18 WeakPolarHBondContact O-CB 3.39Å; T15-L18 PolarHBondContact O-N 3.26Å; T15-E19 PolarHBondContact O-N 2.91Å; T15-I30 HydrophobicContact CG2-CD1 4.13Å; T15-I30 WeakPolarHBondContact OG1-CD1 3.18Å
16	E	80.6	Confident	82.4	Confident	134 Å²	134	97.8 Å²	97.8	63%	0.626	49%	0.485	S	S	*	.	H	α-helix	trans	-54.6	-30.8	179	-60.9	160	-177.1	0	0	113	K14 H20	K14-E16 VanDerWaalsContact C-N 3.35Å; K14-E16 PolarHBondContact O-N 2.87Å; E16-H20 PolarHBondContact O-ND1 3.49Å
17	R	77.5	Confident	82.5	Confident	177 Å²	177	94 Å²	94	67%	0.668	47%	0.469	S	S	*	.	H	α-helix	trans	-79.8	-31.5	178.7	-67.3	-117.2	178.9	178.9	-0.4	112.3	K14 T15 E19 F21	K14-R17 HydrophobicContact CB-CG 4.29Å; K14-R17 PolarHBondContact O-N 2.79Å; T15-R17 PolarHBondContact O-N 2.99Å; R17-E19 VanDerWaalsContact C-N 3.33Å; R17-F21 WeakPolarHBondContact O-CD2 3.49Å
18	L	80.9	Confident	82.2	Confident	13 Å²	13	96.4 Å²	96.4	7%	0.068	48%	0.482	C	S	.	.	H	α-helix	trans	-70.2	-31.2	176.2	-85.7	152.6	0	0	0	112	W10 T15 H20 F21 R26	W10-L18 WeakPolarHBondContact O-CD2 3.26Å; T15-L18 WeakPolarHBondContact O-CB 3.39Å; T15-L18 PolarHBondContact O-N 3.26Å; L18-H20 PolarHBondContact O-N 3.5Å; L18-H20 VanDerWaalsContact O-N 3.17Å; L18-F21 PolarHBondContact O-N 3.27Å; L18-R26 HydrophobicContact CD2-CB 4.24Å; L18-R26 HydrophobicContact CD2-CG 4.14Å; L18-R26 PolarHBondContact O-NE 3.18Å
19	E	82.7	Confident	81.2	Confident	123 Å²	123	94.6 Å²	94.6	58%	0.575	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.6	179.5	-71.9	174.5	-175.5	0	0	113.7	T15 R17 F21 R26	T15-E19 PolarHBondContact O-N 2.91Å; R17-E19 VanDerWaalsContact C-N 3.33Å; E19-F21 PolarHBondContact O-N 3.33Å; E19-R26 PolarHBondContact O-NH2 3Å
20	H	83.4	Confident	80.6	Confident	162 Å²	162	91.5 Å²	91.5	75%	0.75	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.5	177	-70.6	75.6	0	0	0	113.8	E16 L18	E16-H20 PolarHBondContact O-ND1 3.49Å; L18-H20 PolarHBondContact O-N 3.5Å; L18-H20 VanDerWaalsContact O-N 3.17Å
21	F	83.9	Confident	79.7	Confident	67 Å²	67	89.9 Å²	89.9	29%	0.294	47%	0.471	S	S	.	.	S	Bend	trans	-104.5	145.2	176.7	-60.3	-82.7	0	0	0	110.4	W10 R17 L18 E19 R26	W10-F21 HydrophobicContact CB-CB 4.47Å; W10-F21 HydrophobicContact CB-CD1 4.46Å; W10-F21 HydrophobicContact CB-CD2 4.17Å; W10-F21 HydrophobicContact CB-CG 4.11Å; W10-F21 AromaticContact CD1-CD1 3.65Å; W10-F21 AromaticContact CD1-CG 3.99Å; W10-F21 AromaticContact CD2-CD1 3.69Å; W10-F21 HydrophobicContact CD2-CD1 3.69Å; W10-F21 HydrophobicContact CD2-CD2 4.45Å; W10-F21 AromaticContact CD2-CE1 3.44Å; W10-F21 HydrophobicContact CD2-CE1 3.44Å; W10-F21 VanDerWaalsContact CD2-CE1 3.44Å; W10-F21 HydrophobicContact CD2-CE2 4.25Å; W10-F21 HydrophobicContact CD2-CG 4.2Å; W10-F21 AromaticContact CD2-CZ 3.75Å; W10-F21 HydrophobicContact CD2-CZ 3.75Å; W10-F21 AromaticContact CE2-CD1 3.69Å; W10-F21 AromaticContact CE2-CE1 3.45Å; W10-F21 VanDerWaalsContact CE2-CE1 3.45Å; W10-F21 HydrophobicContact CE3-CD1 4.37Å; W10-F21 AromaticContact CE3-CE1 3.72Å; W10-F21 HydrophobicContact CE3-CE1 3.72Å; W10-F21 HydrophobicContact CE3-CE2 4.11Å; W10-F21 AromaticContact CE3-CZ 3.56Å; W10-F21 HydrophobicContact CE3-CZ 3.56Å; W10-F21 HydrophobicContact CG-CB 4.38Å; W10-F21 AromaticContact CG-CD1 3.69Å; W10-F21 HydrophobicContact CG-CD1 3.69Å; W10-F21 HydrophobicContact CG-CD2 4.21Å; W10-F21 AromaticContact CG-CE1 3.96Å; W10-F21 HydrophobicContact CG-CE1 3.96Å; W10-F21 HydrophobicContact CG-CE2 4.45Å; W10-F21 AromaticContact CG-CG 3.82Å; W10-F21 HydrophobicContact CG-CG 3.82Å; W10-F21 HydrophobicContact CG-CZ 4.33Å; W10-F21 AromaticContact CH2-CE1 3.99Å; W10-F21 HydrophobicContact CH2-CE1 3.99Å; W10-F21 HydrophobicContact CH2-CZ 4.27Å; W10-F21 HydrophobicContact CZ2-CD1 4.35Å; W10-F21 AromaticContact CZ2-CE1 3.73Å; W10-F21 HydrophobicContact CZ2-CE1 3.73Å; W10-F21 HydrophobicContact CZ2-CZ 4.43Å; W10-F21 AromaticContact CZ3-CE1 3.98Å; W10-F21 HydrophobicContact CZ3-CE1 3.98Å; W10-F21 AromaticContact CZ3-CZ 3.84Å; W10-F21 HydrophobicContact CZ3-CZ 3.84Å; W10-F21 AromaticContact NE1-CD1 3.67Å; W10-F21 AromaticContact NE1-CE1 3.94Å; R17-F21 WeakPolarHBondContact O-CD2 3.49Å; L18-F21 PolarHBondContact O-N 3.27Å; E19-F21 PolarHBondContact O-N 3.33Å; F21-R26 HydrophobicContact CB-CG 4.43Å; F21-R26 PolarHBondContact O-NE 3.44Å; F21-R26 PolarHBondContact O-NH2 3.45Å
22	P	86.3	Confident	79.2	Confident	73 Å²	73	93.1 Å²	93.1	47%	0.474	48%	0.484	S	S	.	.			trans	-55.5	142	174	-22.7	33.2	0	0	0	111.6	T24 D25 R26	P22-T24 PolarHBondContact O-N 3.43Å; P22-T24 VanDerWaalsContact O-N 3.15Å; P22-D25 PolarHBondContact O-N 2.95Å; P22-R26 WeakPolarHBondContact O-CG 3.28Å; P22-R26 PolarHBondContact O-N 3.25Å
23	E	83.5	Confident	78.4	Confident	156 Å²	156	96.1 Å²	96.1	73%	0.729	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-53.4	-37	-179.2	-92.5	-173.5	157.5	0	0	113.3	D25 R26	E23-D25 PolarHBondContact O-N 3.32Å; E23-R26 PolarHBondContact O-N 3.48Å
24	T	84.5	Confident	77.7	Confident	124 Å²	124	100.1 Å²	100.1	76%	0.761	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-62.6	-20.6	177.9	54.4	0	0	0	0	114	P22	P22-T24 PolarHBondContact O-N 3.43Å; P22-T24 VanDerWaalsContact O-N 3.15Å
25	D	86.6	Confident	76.7	Confident	32 Å²	32	100.1 Å²	100.1	17%	0.171	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-103.9	-4.3	-174.8	-57.2	-15.2	0	0	0	112	T8 K9 W10 P22 E23	T8-D25 CarbonylContact C-O 3.47Å; K9-D25 WeakPolarHBondContact CA-O 3.44Å; K9-D25 PolarHBondContact N-O 3.35Å; W10-D25 PolarHBondContact N-O 2.99Å; P22-D25 PolarHBondContact O-N 2.95Å; E23-D25 PolarHBondContact O-N 3.32Å
26	R	86.7	Confident	75.9	Confident	75 Å²	75	100.5 Å²	100.5	28%	0.283	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-80.4	154.1	-179.9	-61.4	175.8	-165.9	168.8	2.1	111	L18 E19 F21 P22 E23	L18-R26 HydrophobicContact CD2-CB 4.24Å; L18-R26 HydrophobicContact CD2-CG 4.14Å; L18-R26 PolarHBondContact O-NE 3.18Å; E19-R26 PolarHBondContact O-NH2 3Å; F21-R26 HydrophobicContact CB-CG 4.43Å; F21-R26 PolarHBondContact O-NE 3.44Å; F21-R26 PolarHBondContact O-NH2 3.45Å; P22-R26 WeakPolarHBondContact O-CG 3.28Å; P22-R26 PolarHBondContact O-N 3.25Å; E23-R26 PolarHBondContact O-N 3.48Å
27	S	78.3	Confident	75.1	Confident	38 Å²	38	99.4 Å²	99.4	27%	0.266	51%	0.513	S	S	.	.			trans	-73.6	153.1	165.6	176.1	0	0	0	0	110.6	W10 G29	W10-S27 WeakPolarHBondContact O-CB 3.31Å; W10-S27 PolarHBondContact O-N 3.49Å; S27-G29 PolarHBondContact O-N 3.22Å
28	D	73.2	Confident	74.5	Confident	169 Å²	169	92.7 Å²	92.7	90%	0.904	49%	0.49	S	S	*	.	S	Bend	trans	-65.7	95.1	171.1	-66.2	-35.5	0	0	0	109.8
29	G	65.2	Low	74	Confident	46 Å²	46	96.5 Å²	96.5	47%	0.474	52%	0.515	S	S	.	.	S	Bend	trans	91.7	167.9	172.9	0	0	0	0	0	116.6	S27	S27-G29 PolarHBondContact O-N 3.22Å
30	I	69.4	Low	73.6	Confident	100 Å²	100	94.3 Å²	94.3	51%	0.513	51%	0.507	S	S	.	.			trans	-76.5	127.7	178	-62.2	168.5	0	0	0	108.8	S12 T15	S12-I30 WeakPolarHBondContact O-CG2 3.47Å; T15-I30 HydrophobicContact CG2-CD1 4.13Å; T15-I30 WeakPolarHBondContact OG1-CD1 3.18Å
31	V	66.7	Low	73.3	Confident	59 Å²	59	91 Å²	91	36%	0.358	49%	0.492	S	S	.	.			trans	-108.2	126.7	-179.7	-174.1	0	0	0	0	109.4	S12 S13 L33	S12-V31 CarbonylContact C-O 3.51Å; S12-V31 PolarHBondContact O-N 2.8Å; S13-V31 VanDerWaalsContact CA-O 3.29Å; S13-V31 WeakPolarHBondContact CA-O 3.48Å; S13-V31 PolarHBondContact N-O 2.9Å; V31-L33 HydrophobicContact CG1-CD2 4.23Å; V31-L33 HydrophobicContact CG1-CG 4.49Å; V31-L33 PolarHBondContact O-N 3.36Å
32	N	70.1	Confident	73	Confident	118 Å²	118	93.4 Å²	93.4	63%	0.631	51%	0.508	S	S	*	.			trans	-75.7	86.9	177.3	-162.9	-10.4	0	0	0	110.4	R34	N32-R34 PolarHBondContact O-N 2.93Å
33	L	64.2	Low	72.4	Confident	87 Å²	87	92.3 Å²	92.3	46%	0.455	50%	0.5	S	S	.	.			trans	-76.9	86.1	-178.4	-66.1	167.6	0	0	0	111	V31	V31-L33 HydrophobicContact CG1-CD2 4.23Å; V31-L33 HydrophobicContact CG1-CG 4.49Å; V31-L33 PolarHBondContact O-N 3.36Å
34	R	65.9	Low	71.9	Confident	148 Å²	148	93.2 Å²	93.2	56%	0.558	51%	0.508	S	S	*	.			trans	-91.4	113	165.6	-62.8	-168.7	-164.8	-165.2	7.1	109.2	N32 S36 D37	N32-R34 PolarHBondContact O-N 2.93Å; R34-S36 PolarHBondContact O-N 3.31Å; R34-D37 HydrophobicContact CB-CB 4.42Å; R34-D37 PolarHBondContact O-N 2.95Å
35	L	61.9	Low	71.3	Confident	127 Å²	127	90.1 Å²	90.1	67%	0.665	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-54	-25.8	176.9	-78.4	163.6	0	0	0	113.3	D37 I38 R51	L35-D37 VanDerWaalsContact C-N 3.29Å; L35-D37 PolarHBondContact O-N 3.23Å; L35-I38 HydrophobicContact CD2-CD1 3.74Å; L35-I38 HydrophobicContact CG-CD1 4.46Å; L35-R51 WeakPolarHBondContact O-CD 3.37Å
36	S	61.7	Low	70.8	Confident	82 Å²	82	91.9 Å²	91.9	57%	0.573	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-66.5	-28.9	176.9	54.6	0	0	0	0	113.5	R34	R34-S36 PolarHBondContact O-N 3.31Å
37	D	63.4	Low	70.7	Confident	112 Å²	112	90.5 Å²	90.5	60%	0.599	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-106.9	7.3	-167.1	-54.6	-15.4	0	0	0	112.1	R34 L35 P39	R34-D37 HydrophobicContact CB-CB 4.42Å; R34-D37 PolarHBondContact O-N 2.95Å; L35-D37 VanDerWaalsContact C-N 3.29Å; L35-D37 PolarHBondContact O-N 3.23Å; D37-P39 VanDerWaalsContact O-CD 3.28Å; D37-P39 WeakPolarHBondContact O-CD 3.49Å
38	I	66.2	Low	70.9	Confident	35 Å²	35	92.1 Å²	92.1	18%	0.179	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-72.9	117.4	-176.5	-56.9	-178	0	0	0	109.8	L35 Q50	L35-I38 HydrophobicContact CD2-CD1 3.74Å; L35-I38 HydrophobicContact CG-CD1 4.46Å; I38-Q50 HydrophobicContact CG2-CB 4.26Å; I38-Q50 HydrophobicContact CG2-CG 4.4Å
39	P	69.5	Low	71.2	Confident	94 Å²	94	84.5 Å²	84.5	61%	0.61	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-69.2	158.6	176	29.1	-33	0	0	0	111.6	D37 E41	D37-P39 VanDerWaalsContact O-CD 3.28Å; D37-P39 WeakPolarHBondContact O-CD 3.49Å; P39-E41 PolarHBondContact O-N 3.35Å
40	L	74.6	Confident	71.6	Confident	76 Å²	76	85.2 Å²	85.2	40%	0.398	46%	0.459	S	S	.	.	P	Polyproline II helix	trans	-63.8	120.2	168.4	-77.8	159.4	0	0	0	109	L47 D49	L40-L47 HydrophobicContact CB-CB 4.35Å; L40-L47 HydrophobicContact CB-CD2 4.32Å; L40-L47 HydrophobicContact CD2-CB 4.26Å; L40-D49 HydrophobicContact CD2-CB 3.63Å
41	E	76.6	Confident	71.7	Confident	94 Å²	94	87.5 Å²	87.5	44%	0.439	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.8	179.4	-78.5	-162.3	158.4	0	0	111.8	P39 V43 L47 W48 Q50	P39-E41 PolarHBondContact O-N 3.35Å; E41-V43 PolarHBondContact O-N 3.18Å; E41-L47 CarbonylContact O-C 3.1Å; E41-L47 WeakPolarHBondContact O-CA 3.48Å; E41-W48 PolarHBondContact N-O 3.22Å; E41-W48 PolarHBondContact O-N 2.87Å; E41-Q50 PolarHBondContact OE2-NE2 2.95Å
42	N	77.5	Confident	72.3	Confident	116 Å²	116	87.9 Å²	87.9	62%	0.62	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	115.4	172.4	-165.4	-42.2	0	0	0	110	G45 L46	N42-G45 WeakPolarHBondContact OD1-CA 3.17Å; N42-G45 PolarHBondContact OD1-N 3.17Å; N42-L46 CarbonylContact C-O 3.1Å; N42-L46 VanDerWaalsContact CA-O 3.3Å; N42-L46 WeakPolarHBondContact CA-O 3.46Å
43	V	73.6	Confident	72.6	Confident	50 Å²	50	87.9 Å²	87.9	30%	0.303	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	107.6	174.8	-175.7	0	0	0	0	107.8	E41 G45 L46 W48	E41-V43 PolarHBondContact O-N 3.18Å; V43-G45 VanDerWaalsContact C-N 3.26Å; V43-G45 PolarHBondContact O-N 2.91Å; V43-L46 PolarHBondContact N-O 3.4Å; V43-L46 PolarHBondContact O-N 3.33Å; V43-W48 HydrophobicContact CG2-CB 4.03Å; V43-W48 HydrophobicContact CG2-CE3 4.08Å
44	L	73.6	Confident	73.2	Confident	175 Å²	175	85.8 Å²	85.8	92%	0.916	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	35.3	175.8	-56.7	171.1	0	0	0	114	L46	L44-L46 VanDerWaalsContact C-N 3.34Å
45	G	71.4	Confident	74	Confident	59 Å²	59	84.7 Å²	84.7	61%	0.608	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.5	1.4	-179.5	0	0	0	0	0	114.5	N42 V43	N42-G45 WeakPolarHBondContact OD1-CA 3.17Å; N42-G45 PolarHBondContact OD1-N 3.17Å; V43-G45 VanDerWaalsContact C-N 3.26Å; V43-G45 PolarHBondContact O-N 2.91Å
46	L	77.9	Confident	74.8	Confident	69 Å²	69	84.6 Å²	84.6	36%	0.361	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	151.2	170.5	-59.8	174	0	0	0	109.7	N42 V43 L44 F55 R56 F57	N42-L46 CarbonylContact C-O 3.1Å; N42-L46 VanDerWaalsContact CA-O 3.3Å; N42-L46 WeakPolarHBondContact CA-O 3.46Å; V43-L46 PolarHBondContact N-O 3.4Å; V43-L46 PolarHBondContact O-N 3.33Å; L44-L46 VanDerWaalsContact C-N 3.34Å; L46-F55 HydrophobicContact CB-CD1 4.27Å; L46-F55 HydrophobicContact CD1-CB 4.29Å; L46-F55 HydrophobicContact CD1-CD1 4.39Å; L46-F55 HydrophobicContact CD1-CG 4.46Å; L46-R56 CarbonylContact C-O 3.57Å; L46-R56 WeakPolarHBondContact CA-O 3.26Å; L46-F57 HydrophobicContact CD2-CB 3.76Å
47	L	83	Confident	75.5	Confident	46 Å²	46	87.9 Å²	87.9	24%	0.241	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	108.6	171.8	-66.6	171.9	0	0	0	109.6	L40 E41 R56 A58	L40-L47 HydrophobicContact CB-CB 4.35Å; L40-L47 HydrophobicContact CB-CD2 4.32Å; L40-L47 HydrophobicContact CD2-CB 4.26Å; E41-L47 CarbonylContact O-C 3.1Å; E41-L47 WeakPolarHBondContact O-CA 3.48Å; L47-R56 HydrophobicContact CB-CB 4.16Å; L47-R56 PolarHBondContact N-O 3.48Å; L47-R56 WeakPolarHBondContact O-CA 3.43Å; L47-R56 WeakPolarHBondContact O-CB 3.45Å; L47-R56 PolarHBondContact O-N 3.2Å; L47-A58 HydrophobicContact CD1-CB 3.97Å
48	W	82.6	Confident	75.6	Confident	72 Å²	72	86.5 Å²	86.5	27%	0.273	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	122.2	176.5	-179.1	36.1	0	0	0	111.2	E41 V43 Q50 D53 F55	E41-W48 PolarHBondContact N-O 3.22Å; E41-W48 PolarHBondContact O-N 2.87Å; V43-W48 HydrophobicContact CG2-CB 4.03Å; V43-W48 HydrophobicContact CG2-CE3 4.08Å; W48-Q50 HydrophobicContact CD2-CG 3.72Å; W48-Q50 HydrophobicContact CE3-CG 3.67Å; W48-Q50 HydrophobicContact CG-CG 4.4Å; W48-Q50 HydrophobicContact CH2-CG 3.97Å; W48-Q50 HydrophobicContact CZ2-CG 4.02Å; W48-Q50 HydrophobicContact CZ3-CG 3.8Å; W48-D53 PolarHBondContact NE1-OD1 3.33Å; W48-F55 HydrophobicContact CB-CD1 3.97Å; W48-F55 HydrophobicContact CB-CE1 3.94Å; W48-F55 HydrophobicContact CG-CD1 4.27Å; W48-F55 AromaticContact CG-CE1 3.95Å; W48-F55 HydrophobicContact CG-CE1 3.95Å
49	D	80.8	Confident	75.2	Confident	9 Å²	9	87.6 Å²	87.6	5%	0.048	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	90.7	171.7	-170.9	-9.1	0	0	0	109.8	L40 R51 S52 D53 S54 R56	L40-D49 HydrophobicContact CD2-CB 3.63Å; D49-R51 PolarHBondContact O-N 2.99Å; D49-R51 VanDerWaalsContact O-N 3.1Å; D49-R51 IonicContact OD1-CZ 3.63Å; D49-R51 PolarHBondContact OD1-N 2.66Å; D49-R51 IonicContact OD1-NE 3.46Å; D49-R51 PolarHBondContact OD1-NE 3.29Å; D49-R51 IonicContact OD1-NH2 2.72Å; D49-R51 IonicContact OD2-NH2 3.66Å; D49-S52 PolarHBondContact O-N 3.47Å; D49-S52 VanDerWaalsContact O-N 3.15Å; D49-S52 PolarHBondContact O-OG 3.38Å; D49-D53 PolarHBondContact O-N 3.38Å; D49-S54 PolarHBondContact N-O 3.03Å; D49-S54 PolarHBondContact O-N 2.91Å; D49-R56 IonicContact OD2-CZ 2.67Å; D49-R56 IonicContact OD2-NE 3.75Å; D49-R56 PolarHBondContact OD2-NE 3.33Å; D49-R56 IonicContact OD2-NH2 3.8Å; D49-R56 PolarHBondContact OD2-NH2 3.33Å
50	Q	73	Confident	74.4	Confident	61 Å²	61	91.2 Å²	91.2	29%	0.285	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.2	-176.7	-63.7	-176.9	7.1	0	0	113.6	I38 E41 W48	I38-Q50 HydrophobicContact CG2-CB 4.26Å; I38-Q50 HydrophobicContact CG2-CG 4.4Å; E41-Q50 PolarHBondContact OE2-NE2 2.95Å; W48-Q50 HydrophobicContact CD2-CG 3.72Å; W48-Q50 HydrophobicContact CE3-CG 3.67Å; W48-Q50 HydrophobicContact CG-CG 4.4Å; W48-Q50 HydrophobicContact CH2-CG 3.97Å; W48-Q50 HydrophobicContact CZ2-CG 4.02Å; W48-Q50 HydrophobicContact CZ3-CG 3.8Å
51	R	71.8	Confident	72.9	Confident	148 Å²	148	91.5 Å²	91.5	56%	0.558	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-35.7	-179.9	-64.6	172.7	-65	-171.9	-2.8	112.6	L35 D49	L35-R51 WeakPolarHBondContact O-CD 3.37Å; D49-R51 PolarHBondContact O-N 2.99Å; D49-R51 VanDerWaalsContact O-N 3.1Å; D49-R51 IonicContact OD1-CZ 3.63Å; D49-R51 PolarHBondContact OD1-N 2.66Å; D49-R51 IonicContact OD1-NE 3.46Å; D49-R51 PolarHBondContact OD1-NE 3.29Å; D49-R51 IonicContact OD1-NH2 2.72Å; D49-R51 IonicContact OD2-NH2 3.66Å
52	S	78.5	Confident	71.4	Confident	67 Å²	67	91.7 Å²	91.7	47%	0.469	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-6.8	-178.7	62.5	0	0	0	0	113.3	D49 S54	D49-S52 PolarHBondContact O-N 3.47Å; D49-S52 VanDerWaalsContact O-N 3.15Å; D49-S52 PolarHBondContact O-OG 3.38Å; S52-S54 VanDerWaalsContact C-N 3.34Å; S52-S54 WeakPolarHBondContact OG-CB 3.43Å; S52-S54 PolarHBondContact OG-OG 3.35Å
53	D	77.8	Confident	69.7	Low	119 Å²	119	94 Å²	94	64%	0.636	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	49	52.4	-166.1	-163	25.2	0	0	0	112.7	W48 D49	W48-D53 PolarHBondContact NE1-OD1 3.33Å; D49-D53 PolarHBondContact O-N 3.38Å
54	S	76	Confident	68.4	Low	42 Å²	42	93.9 Å²	93.9	29%	0.294	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.3	180	71.1	0	0	0	0	112.3	D49 S52	D49-S54 PolarHBondContact N-O 3.03Å; D49-S54 PolarHBondContact O-N 2.91Å; S52-S54 VanDerWaalsContact C-N 3.34Å; S52-S54 WeakPolarHBondContact OG-CB 3.43Å; S52-S54 PolarHBondContact OG-OG 3.35Å
55	F	83.4	Confident	66.7	Low	126 Å²	126	88.4 Å²	88.4	55%	0.553	47%	0.47	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.2	133.8	171.8	-64.5	-80.3	0	0	0	110.2	L46 W48	L46-F55 HydrophobicContact CB-CD1 4.27Å; L46-F55 HydrophobicContact CD1-CB 4.29Å; L46-F55 HydrophobicContact CD1-CD1 4.39Å; L46-F55 HydrophobicContact CD1-CG 4.46Å; W48-F55 HydrophobicContact CB-CD1 3.97Å; W48-F55 HydrophobicContact CB-CE1 3.94Å; W48-F55 HydrophobicContact CG-CD1 4.27Å; W48-F55 AromaticContact CG-CE1 3.95Å; W48-F55 HydrophobicContact CG-CE1 3.95Å
56	R	78.9	Confident	65	Low	125 Å²	125	90.8 Å²	90.8	47%	0.472	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	161.7	174.1	-54.9	-172.8	-176.3	-154.2	4.3	108.4	L46 L47 D49	L46-R56 CarbonylContact C-O 3.57Å; L46-R56 WeakPolarHBondContact CA-O 3.26Å; L47-R56 HydrophobicContact CB-CB 4.16Å; L47-R56 PolarHBondContact N-O 3.48Å; L47-R56 WeakPolarHBondContact O-CA 3.43Å; L47-R56 WeakPolarHBondContact O-CB 3.45Å; L47-R56 PolarHBondContact O-N 3.2Å; D49-R56 IonicContact OD2-CZ 2.67Å; D49-R56 IonicContact OD2-NE 3.75Å; D49-R56 PolarHBondContact OD2-NE 3.33Å; D49-R56 IonicContact OD2-NH2 3.8Å; D49-R56 PolarHBondContact OD2-NH2 3.33Å
57	F	75	Confident	63.1	Low	150 Å²	150	94.5 Å²	94.5	66%	0.658	48%	0.484	S	S	*	.			trans	-135.9	135.9	168.1	59.1	-84	0	0	0	108.1	L46	L46-F57 HydrophobicContact CD2-CB 3.76Å
58	A	65.4	Low	61	Low	84 Å²	84	97.7 Å²	97.7	69%	0.694	51%	0.505	S	S	*	.			trans	-83.3	121.9	168.2	0	0	0	0	0	106.9	L47	L47-A58 HydrophobicContact CD1-CB 3.97Å
59	S	58.2	Low	58.6	Low	57 Å²	57	99.4 Å²	99.4	40%	0.399	52%	0.519	S	S	.	.			trans	-114.2	109.8	177.4	150	0	0	0	0	106.5	I61	S59-I61 PolarHBondContact O-N 2.84Å; S59-I61 WeakPolarHBondContact OG-CD1 3.48Å; S59-I61 WeakPolarHBondContact OG-CG1 3.23Å; S59-I61 PolarHBondContact OG-N 3.34Å
60	D	52	Low	56.3	Low	170 Å²	170	101 Å²	101	91%	0.909	54%	0.538	S	S	*	.			trans	-70.3	50.2	164.9	-77.3	-25.9	0	0	0	110	D62	D60-D62 PolarHBondContact O-N 2.98Å
61	I	44.8	Very low	54.5	Low	82 Å²	82	102.7 Å²	102.7	42%	0.421	55%	0.554	S	S	.	*			trans	-69.7	90.9	154.4	-67	161.6	0	0	0	102.7	S59 K63 V65 L66	S59-I61 PolarHBondContact O-N 2.84Å; S59-I61 WeakPolarHBondContact OG-CD1 3.48Å; S59-I61 WeakPolarHBondContact OG-CG1 3.23Å; S59-I61 PolarHBondContact OG-N 3.34Å; I61-K63 PolarHBondContact O-N 3.46Å; I61-V65 HydrophobicContact CG2-CB 3.77Å; I61-V65 HydrophobicContact CG2-CG1 3.76Å; I61-L66 HydrophobicContact CG2-CB 4.47Å; I61-L66 HydrophobicContact CG2-CD1 4.07Å; I61-L66 HydrophobicContact CG2-CG 3.65Å
62	D	43.7	Very low	52.8	Low	99 Å²	99	100.8 Å²	100.8	53%	0.529	56%	0.559	S	S	.	*			trans	-36.9	133.5	171.4	-167.9	-18.6	0	0	0	107.2	D60 A64 V65 L66	D60-D62 PolarHBondContact O-N 2.98Å; D62-A64 HydrophobicContact CB-CB 4.31Å; D62-A64 CarbonylContact O-C 3.54Å; D62-A64 PolarHBondContact O-N 2.9Å; D62-A64 WeakPolarHBondContact OD1-CB 3.37Å; D62-A64 PolarHBondContact OD1-N 2.91Å; D62-A64 VanDerWaalsContact OD1-N 3.08Å; D62-V65 HydrophobicContact CB-CB 4.39Å; D62-V65 HydrophobicContact CB-CG2 4.01Å; D62-V65 WeakPolarHBondContact O-CA 3.49Å; D62-V65 WeakPolarHBondContact O-CB 3.24Å; D62-V65 PolarHBondContact O-N 3.21Å; D62-L66 PolarHBondContact O-N 3.28Å; D62-L66 VanDerWaalsContact O-N 3.1Å
63	K	42.6	Very low	50.7	Low	165 Å²	165	107.5 Å²	107.5	72%	0.717	57%	0.574	S	S	*	*	H	α-helix	trans	-52.8	-27.7	173.9	-117.8	179.7	177.2	-178.1	0	109.8	I61 V65 L66 E67	I61-K63 PolarHBondContact O-N 3.46Å; K63-V65 PolarHBondContact O-N 2.95Å; K63-L66 PolarHBondContact O-N 3.47Å; K63-E67 WeakPolarHBondContact O-CB 3.5Å; K63-E67 WeakPolarHBondContact O-CG 3.41Å; K63-E67 PolarHBondContact O-N 2.8Å
64	A	45.3	Very low	48.6	Very low	46 Å²	46	109.3 Å²	109.3	38%	0.38	57%	0.572	S	S	.	*	H	α-helix	trans	-63.3	-33.4	169.5	0	0	0	0	0	114.3	D62 T68	D62-A64 HydrophobicContact CB-CB 4.31Å; D62-A64 CarbonylContact O-C 3.54Å; D62-A64 PolarHBondContact O-N 2.9Å; D62-A64 WeakPolarHBondContact OD1-CB 3.37Å; D62-A64 PolarHBondContact OD1-N 2.91Å; D62-A64 VanDerWaalsContact OD1-N 3.08Å; A64-T68 WeakPolarHBondContact O-CB 3.44Å; A64-T68 PolarHBondContact O-N 2.69Å; A64-T68 PolarHBondContact O-OG1 2.87Å
65	V	37.8	Very low	46.8	Very low	61 Å²	61	112.9 Å²	112.9	37%	0.37	59%	0.592	S	S	.	*	H	α-helix	trans	-75.2	-36.6	173.8	177.5	0	0	0	0	111.7	I61 D62 K63 T68 L69	I61-V65 HydrophobicContact CG2-CB 3.77Å; I61-V65 HydrophobicContact CG2-CG1 3.76Å; D62-V65 HydrophobicContact CB-CB 4.39Å; D62-V65 HydrophobicContact CB-CG2 4.01Å; D62-V65 WeakPolarHBondContact O-CA 3.49Å; D62-V65 WeakPolarHBondContact O-CB 3.24Å; D62-V65 PolarHBondContact O-N 3.21Å; K63-V65 PolarHBondContact O-N 2.95Å; V65-T68 VanDerWaalsContact CA-OG1 3.3Å; V65-T68 WeakPolarHBondContact CA-OG1 3.44Å; V65-T68 PolarHBondContact O-N 3.39Å; V65-T68 PolarHBondContact O-OG1 3.43Å; V65-L69 HydrophobicContact CG1-CD1 3.78Å; V65-L69 HydrophobicContact CG1-CG 4.24Å; V65-L69 WeakPolarHBondContact O-CB 3.49Å; V65-L69 WeakPolarHBondContact O-CG 3.49Å; V65-L69 PolarHBondContact O-N 3.03Å
66	L	36.5	Very low	44.7	Very low	109 Å²	109	110.4 Å²	110.4	57%	0.571	60%	0.602	S	S	*	*	H	α-helix	trans	-69.1	-35.6	170.6	-85.7	161.2	0	0	0	112.1	I61 D62 K63 L69 G70	I61-L66 HydrophobicContact CG2-CB 4.47Å; I61-L66 HydrophobicContact CG2-CD1 4.07Å; I61-L66 HydrophobicContact CG2-CG 3.65Å; D62-L66 PolarHBondContact O-N 3.28Å; D62-L66 VanDerWaalsContact O-N 3.1Å; K63-L66 PolarHBondContact O-N 3.47Å; L66-L69 PolarHBondContact O-N 3.06Å; L66-G70 PolarHBondContact O-N 3.07Å
67	E	37.8	Very low	43	Very low	147 Å²	147	107.1 Å²	107.1	69%	0.687	60%	0.601	S	S	*	*	H	α-helix	trans	-73	-30.7	173.1	-74.4	178.1	-177.6	0	0	112.3	K63 G70	K63-E67 WeakPolarHBondContact O-CB 3.5Å; K63-E67 WeakPolarHBondContact O-CG 3.41Å; K63-E67 PolarHBondContact O-N 2.8Å; E67-G70 PolarHBondContact O-N 3.39Å
68	T	39.2	Very low	41.6	Very low	113 Å²	113	102.4 Å²	102.4	69%	0.693	58%	0.582	S	S	*	*	H	α-helix	trans	-83.8	-17	171.9	42.4	0	0	0	0	114.3	A64 V65 G70	A64-T68 WeakPolarHBondContact O-CB 3.44Å; A64-T68 PolarHBondContact O-N 2.69Å; A64-T68 PolarHBondContact O-OG1 2.87Å; V65-T68 VanDerWaalsContact CA-OG1 3.3Å; V65-T68 WeakPolarHBondContact CA-OG1 3.44Å; V65-T68 PolarHBondContact O-N 3.39Å; V65-T68 PolarHBondContact O-OG1 3.43Å; T68-G70 VanDerWaalsContact C-N 3.32Å
69	L	32.4	Very low	41	Very low	107 Å²	107	100.7 Å²	100.7	56%	0.56	57%	0.565	S	S	*	*	S	Bend	trans	-88.1	-2.6	167	-70.6	172.3	0	0	0	112.6	V65 L66	V65-L69 HydrophobicContact CG1-CD1 3.78Å; V65-L69 HydrophobicContact CG1-CG 4.24Å; V65-L69 WeakPolarHBondContact O-CB 3.49Å; V65-L69 WeakPolarHBondContact O-CG 3.49Å; V65-L69 PolarHBondContact O-N 3.03Å; L66-L69 PolarHBondContact O-N 3.06Å
70	G	33.2	Very low	40.8	Very low	42 Å²	42	102 Å²	102	43%	0.433	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.5	138.1	156	0	0	0	0	0	111.3	L66 E67 T68	L66-G70 PolarHBondContact O-N 3.07Å; E67-G70 PolarHBondContact O-N 3.39Å; T68-G70 VanDerWaalsContact C-N 3.32Å
71	P	34.5	Very low	40.9	Very low	98 Å²	98	96 Å²	96	64%	0.636	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn		-92.1	132.8	-54.8	33.1	-20.6	0	0	0	110.2	R73	P71-R73 HydrophobicContact CB-CB 4.19Å; P71-R73 HydrophobicContact CG-CB 4.39Å; P71-R73 PolarHBondContact O-N 2.73Å
72	T	35.2	Very low	41.2	Very low	108 Å²	108	93.3 Å²	93.3	66%	0.663	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-60.5	26.3	162.2	6.8	0	0	0	0	113.9	W74	T72-W74 PolarHBondContact O-N 3.16Å
73	R	34.8	Very low	41.8	Very low	207 Å²	207	91.7 Å²	91.7	78%	0.781	53%	0.533	S	S	*	.	G	3₁₀ helix	trans	-68.7	-6.7	170	-144.3	174.6	-171.9	169.9	1.7	112.9	P71 A77	P71-R73 HydrophobicContact CB-CB 4.19Å; P71-R73 HydrophobicContact CG-CB 4.39Å; P71-R73 PolarHBondContact O-N 2.73Å; R73-A77 WeakPolarHBondContact O-CB 3.44Å; R73-A77 PolarHBondContact O-N 3.27Å
74	W	34.2	Very low	42.4	Very low	157 Å²	157	88.4 Å²	88.4	60%	0.595	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-80.7	-26.8	179.5	-85	101.6	0	0	0	115.2	T72 G76 A77 M78 R108	T72-W74 PolarHBondContact O-N 3.16Å; W74-G76 VanDerWaalsContact C-N 3.29Å; W74-A77 HydrophobicContact CE3-CB 4.04Å; W74-A77 HydrophobicContact CZ3-CB 4.4Å; W74-A77 PolarHBondContact O-N 3.07Å; W74-M78 PolarHBondContact O-N 3.2Å; W74-R108 VanDerWaalsContact CH2-NH1 3.26Å
75	V	38.9	Very low	42.8	Very low	118 Å²	118	88.4 Å²	88.4	72%	0.715	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-74.4	-28.2	170.3	-172.6	0	0	0	0	110.3	A77	V75-A77 PolarHBondContact O-N 3.12Å
76	G	38.3	Very low	43.8	Very low	73 Å²	73	86.4 Å²	86.4	75%	0.753	51%	0.508	S	S	*	.	G	3₁₀ helix	trans	-75.8	-5.5	169.6	0	0	0	0	0	115	W74	W74-G76 VanDerWaalsContact C-N 3.29Å
77	A	42.6	Very low	44.8	Very low	56 Å²	56	86.1 Å²	86.1	46%	0.463	51%	0.506	S	S	.	.	G	3₁₀ helix	trans	-108.2	-2.4	-179.7	0	0	0	0	0	113.4	R73 W74 V75	R73-A77 WeakPolarHBondContact O-CB 3.44Å; R73-A77 PolarHBondContact O-N 3.27Å; W74-A77 HydrophobicContact CE3-CB 4.04Å; W74-A77 HydrophobicContact CZ3-CB 4.4Å; W74-A77 PolarHBondContact O-N 3.07Å; V75-A77 PolarHBondContact O-N 3.12Å
78	M	45.8	Very low	45.5	Very low	52 Å²	52	86.6 Å²	86.6	26%	0.256	51%	0.508	S	S	.	.	S	Bend	trans	-81.3	124.8	173.7	-70.5	-178.5	69.6	0	0	110.1	W74 E82 V86	W74-M78 PolarHBondContact O-N 3.2Å; M78-E82 WeakPolarHBondContact CA-OE2 3.34Å; M78-E82 HydrophobicContact CB-CB 4.21Å; M78-E82 HydrophobicContact CE-CB 3.72Å; M78-E82 WeakPolarHBondContact CG-OE2 3.3Å; M78-V86 HydrophobicContact CE-CG2 3.99Å
79	S	52.8	Low	46.3	Very low	48 Å²	48	84.9 Å²	84.9	34%	0.336	49%	0.494	S	S	.	.			trans	-65.5	155.7	171.8	73.7	0	0	0	0	109.7	A81 E82 T83	S79-A81 PolarHBondContact O-N 2.97Å; S79-A81 VanDerWaalsContact O-N 3.07Å; S79-E82 PolarHBondContact N-OE2 2.97Å; S79-E82 PolarHBondContact O-N 3.34Å; S79-E82 PolarHBondContact OG-N 3.02Å; S79-T83 PolarHBondContact O-N 2.86Å; S79-T83 VanDerWaalsContact O-N 3.12Å; S79-T83 PolarHBondContact O-OG1 3.49Å
80	A	54.9	Low	47.2	Very low	85 Å²	85	84.1 Å²	84.1	70%	0.702	49%	0.49	S	S	*	.	H	α-helix	trans	-53.6	-30.8	175.1	0	0	0	0	0	112.2	T83 N84	A80-T83 PolarHBondContact O-N 2.74Å; A80-N84 PolarHBondContact O-N 3.23Å
81	A	52.6	Low	47.6	Very low	44 Å²	44	89 Å²	89	36%	0.364	51%	0.506	S	S	.	.	H	α-helix	trans	-68.3	-40.1	175.2	0	0	0	0	0	113.1	S79 T83 N84 C85 Y111	S79-A81 PolarHBondContact O-N 2.97Å; S79-A81 VanDerWaalsContact O-N 3.07Å; A81-T83 VanDerWaalsContact C-N 3.34Å; A81-N84 PolarHBondContact O-N 3.22Å; A81-C85 WeakPolarHBondContact O-CB 3.5Å; A81-C85 PolarHBondContact O-N 2.95Å; A81-Y111 HydrophobicContact CB-CE2 3.88Å
82	E	52	Low	47.9	Very low	24 Å²	24	90 Å²	90	11%	0.112	51%	0.51	C	S	.	.	H	α-helix	trans	-65.1	-39.3	174.6	-70.2	-175.8	148.3	0	0	111.3	M78 S79 C85 V86 R108	M78-E82 WeakPolarHBondContact CA-OE2 3.34Å; M78-E82 HydrophobicContact CB-CB 4.21Å; M78-E82 HydrophobicContact CE-CB 3.72Å; M78-E82 WeakPolarHBondContact CG-OE2 3.3Å; S79-E82 PolarHBondContact N-OE2 2.97Å; S79-E82 PolarHBondContact O-N 3.34Å; S79-E82 PolarHBondContact OG-N 3.02Å; E82-C85 PolarHBondContact O-N 3.07Å; E82-V86 WeakPolarHBondContact O-CG2 3.42Å; E82-V86 PolarHBondContact O-N 3.11Å; E82-R108 IonicContact OE1-NE 2.64Å
83	T	56.3	Low	48.1	Very low	66 Å²	66	90.5 Å²	90.5	41%	0.405	51%	0.513	S	S	.	.	H	α-helix	trans	-63.2	-44	175	-55.8	0	0	0	0	111.5	S79 A80 A81 V86 L87	S79-T83 PolarHBondContact O-N 2.86Å; S79-T83 VanDerWaalsContact O-N 3.12Å; S79-T83 PolarHBondContact O-OG1 3.49Å; A80-T83 PolarHBondContact O-N 2.74Å; A81-T83 VanDerWaalsContact C-N 3.34Å; T83-V86 PolarHBondContact O-N 3.14Å; T83-L87 HydrophobicContact CG2-CD1 4.03Å; T83-L87 WeakPolarHBondContact O-CB 3.31Å; T83-L87 VanDerWaalsContact O-CG 3.3Å; T83-L87 WeakPolarHBondContact O-CG 3.34Å; T83-L87 PolarHBondContact O-N 2.77Å
84	N	54.7	Low	48.3	Very low	96 Å²	96	86.1 Å²	86.1	51%	0.513	51%	0.514	S	S	.	.	H	α-helix	trans	-65.5	-38.6	176.8	-110.6	4.2	0	0	0	112.7	A80 A81 L87 H88	A80-N84 PolarHBondContact O-N 3.23Å; A81-N84 PolarHBondContact O-N 3.22Å; N84-L87 PolarHBondContact O-N 2.8Å; N84-H88 PolarHBondContact O-CD2 3.43Å; N84-H88 PolarHBondContact O-N 3.26Å
85	C	55.2	Low	48.7	Very low	46 Å²	46	82.9 Å²	82.9	31%	0.311	52%	0.516	S	S	.	.	H	α-helix	trans	-60.7	-44.6	174.7	177.6	0	0	0	0	111.8	A81 E82 H88 L89 C107	A81-C85 WeakPolarHBondContact O-CB 3.5Å; A81-C85 PolarHBondContact O-N 2.95Å; E82-C85 PolarHBondContact O-N 3.07Å; C85-H88 PolarHBondContact O-N 2.88Å; C85-L89 PolarHBondContact O-N 3.28Å; C85-C107 VanDerWaalsContact C-SG 3.53Å; C85-C107 HydrophobicContact CB-CB 3.86Å; C85-C107 WeakPolarHBondContact CB-SG 3.49Å; C85-C107 WeakPolarHBondContact SG-CB 3.4Å; C85-C107 CovalentContact SG-SG 2.05Å; C85-C107 PolarHBondContact SG-SG 3.44Å
86	V	58.9	Low	48.9	Very low	19 Å²	19	85.7 Å²	85.7	12%	0.115	51%	0.514	C	S	.	.	H	α-helix	trans	-65.3	-41.7	176.6	171.8	0	0	0	0	110.9	M78 E82 T83 L89 I90 L100 C107	M78-V86 HydrophobicContact CE-CG2 3.99Å; E82-V86 WeakPolarHBondContact O-CG2 3.42Å; E82-V86 PolarHBondContact O-N 3.11Å; T83-V86 PolarHBondContact O-N 3.14Å; V86-L89 PolarHBondContact O-N 3.41Å; V86-I90 HydrophobicContact CG1-CD1 3.73Å; V86-I90 WeakPolarHBondContact O-CD1 3.31Å; V86-I90 WeakPolarHBondContact O-CG1 3.31Å; V86-I90 PolarHBondContact O-N 3.39Å; V86-L100 HydrophobicContact CG1-CD2 3.93Å; V86-C107 HydrophobicContact CG2-CB 4.48Å
87	L	56.2	Low	49.2	Very low	103 Å²	103	91.2 Å²	91.2	54%	0.539	52%	0.518	S	S	.	.	H	α-helix	trans	-64	-39.5	177.4	-74.6	167.8	0	0	0	112.9	T83 N84 L89 I90	T83-L87 HydrophobicContact CG2-CD1 4.03Å; T83-L87 WeakPolarHBondContact O-CB 3.31Å; T83-L87 VanDerWaalsContact O-CG 3.3Å; T83-L87 WeakPolarHBondContact O-CG 3.34Å; T83-L87 PolarHBondContact O-N 2.77Å; N84-L87 PolarHBondContact O-N 2.8Å; L87-L89 VanDerWaalsContact C-N 3.27Å; L87-L89 PolarHBondContact O-N 2.91Å; L87-I90 PolarHBondContact O-N 2.87Å
88	H	53.6	Low	49.7	Very low	157 Å²	157	98 Å²	98	73%	0.727	53%	0.532	S	S	*	.	H	α-helix	trans	-67.5	-25.7	176.6	-88.9	-66.8	0	0	0	113.6	N84 C85	N84-H88 PolarHBondContact O-CD2 3.43Å; N84-H88 PolarHBondContact O-N 3.26Å; C85-H88 PolarHBondContact O-N 2.88Å
89	L	55.5	Low	50.1	Low	76 Å²	76	99.3 Å²	99.3	40%	0.398	54%	0.539	S	S	.	.	H	α-helix	trans	-84.9	-9.1	176	-77	165.9	0	0	0	113.5	C85 V86 L87 D91 M103	C85-L89 PolarHBondContact O-N 3.28Å; V86-L89 PolarHBondContact O-N 3.41Å; L87-L89 VanDerWaalsContact C-N 3.27Å; L87-L89 PolarHBondContact O-N 2.91Å; L89-D91 PolarHBondContact O-N 2.95Å; L89-M103 HydrophobicContact CB-CE 3.9Å; L89-M103 HydrophobicContact CB-CG 4.42Å; L89-M103 HydrophobicContact CB-SD 3.78Å; L89-M103 HydrophobicContact CD1-CB 4.35Å; L89-M103 HydrophobicContact CD1-CG 4.22Å; L89-M103 WeakPolarHBondContact O-CE 3.35Å
90	I	51.1	Low	50.1	Low	92 Å²	92	101 Å²	101	47%	0.472	54%	0.543	S	S	.	.			trans	-83.5	11.9	-176.7	-75.1	165.7	0	0	0	112.8	V86 L87 V92 L100	V86-I90 HydrophobicContact CG1-CD1 3.73Å; V86-I90 WeakPolarHBondContact O-CD1 3.31Å; V86-I90 WeakPolarHBondContact O-CG1 3.31Å; V86-I90 PolarHBondContact O-N 3.39Å; L87-I90 PolarHBondContact O-N 2.87Å; I90-V92 PolarHBondContact O-N 3.49Å; I90-L100 HydrophobicContact CD1-CD2 4.11Å
91	D	41.2	Very low	49.9	Very low	144 Å²	144	106.5 Å²	106.5	77%	0.77	55%	0.546	S	S	*	.			trans	-69.4	130.9	168.9	-138.3	-7.7	0	0	0	109.6	L89	L89-D91 PolarHBondContact O-N 2.95Å
92	V	42.1	Very low	50.2	Low	118 Å²	118	109.7 Å²	109.7	72%	0.715	56%	0.556	S	S	*	*	S	Bend	trans	92.4	95.2	176.3	-166.1	0	0	0	0	117.1	I90	I90-V92 PolarHBondContact O-N 3.49Å
93	T	38.4	Very low	50.7	Low	120 Å²	120	110.6 Å²	110.6	74%	0.736	56%	0.56	S	S	*	*			trans	43.3	108.3	142.7	65.1	0	0	0	0	120.2	S95	T93-S95 PolarHBondContact O-N 3.28Å
94	S	38.8	Very low	50.8	Low	115 Å²	115	108.7 Å²	108.7	80%	0.804	55%	0.552	S	S	*	*	S	Bend	trans	25.3	82.7	142.4	65.6	0	0	0	0	118
95	S	42.4	Very low	51	Low	89 Å²	89	112 Å²	112	62%	0.622	56%	0.558	S	S	*	*				174.1	145.6	129.9	-77.7	0	0	0	0	111	T93	T93-S95 PolarHBondContact O-N 3.28Å
96	Y	42.6	Very low	51.4	Low	176 Å²	176	113.6 Å²	113.6	69%	0.69	57%	0.566	S	S	*	*			trans	92.9	94.5	167	-58.2	-78.7	0	0	0	119.4	R98 I99	Y96-R98 PolarHBondContact O-N 3.11Å; Y96-I99 WeakPolarHBondContact O-CB 3.29Å; Y96-I99 PolarHBondContact O-N 3.31Å
97	K	45.9	Very low	51.5	Low	189 Å²	189	112.9 Å²	112.9	82%	0.822	56%	0.562	S	S	*	*	H	α-helix	trans	-48.2	-22.1	156.3	-78.3	-179.2	176	177.3	0	114.1
98	R	51.9	Low	51.6	Low	200 Å²	200	111.1 Å²	111.1	76%	0.755	55%	0.548	S	S	*	.	H	α-helix	trans	-70	-34.8	176.7	-129.6	176.4	-173.5	173.6	1.5	111.9	Y96 R101 I102	Y96-R98 PolarHBondContact O-N 3.11Å; R98-R101 PolarHBondContact O-N 3.12Å; R98-I102 PolarHBondContact O-N 3.34Å
99	I	55.7	Low	52	Low	79 Å²	79	109 Å²	109	41%	0.405	54%	0.537	S	S	.	.	H	α-helix	trans	-69.3	-39.4	177.5	-64.2	175.9	0	0	0	110.2	Y96 R101 I102 M103	Y96-I99 WeakPolarHBondContact O-CB 3.29Å; Y96-I99 PolarHBondContact O-N 3.31Å; I99-R101 VanDerWaalsContact C-N 3.28Å; I99-R101 PolarHBondContact O-N 3.48Å; I99-I102 CarbonylContact O-C 3.5Å; I99-I102 PolarHBondContact O-N 2.9Å; I99-I102 VanDerWaalsContact O-N 3.08Å; I99-M103 HydrophobicContact CG2-CE 3.49Å; I99-M103 VanDerWaalsContact CG2-CE 3.49Å; I99-M103 HydrophobicContact CG2-CG 3.97Å; I99-M103 HydrophobicContact CG2-SD 3.72Å; I99-M103 WeakPolarHBondContact O-CB 3.41Å; I99-M103 WeakPolarHBondContact O-CG 3.29Å; I99-M103 PolarHBondContact O-N 2.83Å
100	L	51.5	Low	51.9	Low	83 Å²	83	107.8 Å²	107.8	44%	0.435	54%	0.538	S	S	.	.	H	α-helix	trans	-56.5	-38.2	173.9	-86.4	159.3	0	0	0	113.1	V86 I90 A104	V86-L100 HydrophobicContact CG1-CD2 3.93Å; I90-L100 HydrophobicContact CD1-CD2 4.11Å; L100-A104 WeakPolarHBondContact O-CB 3.34Å; L100-A104 PolarHBondContact O-N 3.19Å
101	R	52.3	Low	52	Low	201 Å²	201	110.1 Å²	110.1	76%	0.758	54%	0.542	S	S	*	.	H	α-helix	trans	-65	-44	174.9	-74.1	-174.9	177.9	173.1	-0	111.9	R98 I99 Y105	R98-R101 PolarHBondContact O-N 3.12Å; I99-R101 VanDerWaalsContact C-N 3.28Å; I99-R101 PolarHBondContact O-N 3.48Å; R101-Y105 WeakPolarHBondContact O-CB 3.39Å; R101-Y105 PolarHBondContact O-N 2.87Å; R101-Y105 VanDerWaalsContact O-N 3.07Å
102	I	58.9	Low	52.5	Low	110 Å²	110	113.3 Å²	113.3	56%	0.564	54%	0.543	S	S	*	.	H	α-helix	trans	-66.9	-44.2	178.2	-63.2	171.8	0	0	0	109.7	R98 I99 Y105 V106	R98-I102 PolarHBondContact O-N 3.34Å; I99-I102 CarbonylContact O-C 3.5Å; I99-I102 PolarHBondContact O-N 2.9Å; I99-I102 VanDerWaalsContact O-N 3.08Å; I102-Y105 CarbonylContact O-C 3.51Å; I102-Y105 PolarHBondContact O-N 3.44Å; I102-Y105 VanDerWaalsContact O-N 3.16Å; I102-V106 HydrophobicContact CG2-CG2 4.08Å; I102-V106 WeakPolarHBondContact O-CB 3.41Å; I102-V106 VanDerWaalsContact O-CG2 3.23Å; I102-V106 WeakPolarHBondContact O-CG2 3.28Å; I102-V106 PolarHBondContact O-N 3.34Å
103	M	62.3	Low	52.9	Low	43 Å²	43	117.3 Å²	117.3	21%	0.212	55%	0.545	C	S	.	.	H	α-helix	trans	-63	-43.1	178.1	-74	178.7	169.2	0	0	112.1	L89 I99 Y105 V106 C107	L89-M103 HydrophobicContact CB-CE 3.9Å; L89-M103 HydrophobicContact CB-CG 4.42Å; L89-M103 HydrophobicContact CB-SD 3.78Å; L89-M103 HydrophobicContact CD1-CB 4.35Å; L89-M103 HydrophobicContact CD1-CG 4.22Å; L89-M103 WeakPolarHBondContact O-CE 3.35Å; I99-M103 HydrophobicContact CG2-CE 3.49Å; I99-M103 VanDerWaalsContact CG2-CE 3.49Å; I99-M103 HydrophobicContact CG2-CG 3.97Å; I99-M103 HydrophobicContact CG2-SD 3.72Å; I99-M103 WeakPolarHBondContact O-CB 3.41Å; I99-M103 WeakPolarHBondContact O-CG 3.29Å; I99-M103 PolarHBondContact O-N 2.83Å; M103-Y105 VanDerWaalsContact C-N 3.3Å; M103-Y105 PolarHBondContact O-N 3Å; M103-V106 PolarHBondContact O-N 2.76Å; M103-C107 WeakPolarHBondContact O-CB 3.36Å; M103-C107 PolarHBondContact O-N 2.85Å; M103-C107 PolarHBondContact O-SG 3.07Å; M103-C107 VanDerWaalsContact O-SG 3.39Å
104	A	56.9	Low	53	Low	27 Å²	27	122.1 Å²	122.1	22%	0.223	55%	0.55	C	S	.	.	H	α-helix	trans	-61.9	-39.5	173.9	0	0	0	0	0	111.6	L100 R108	L100-A104 WeakPolarHBondContact O-CB 3.34Å; L100-A104 PolarHBondContact O-N 3.19Å; A104-R108 VanDerWaalsContact O-CB 3.22Å; A104-R108 WeakPolarHBondContact O-CB 3.38Å; A104-R108 PolarHBondContact O-N 3.11Å
105	Y	58.7	Low	52.9	Low	166 Å²	166	120.3 Å²	120.3	65%	0.651	55%	0.549	S	S	*	.	H	α-helix	trans	-68.8	-40.6	176.4	-155.3	-89.7	0	0	0	112.2	R101 I102 M103 R108 F109	R101-Y105 WeakPolarHBondContact O-CB 3.39Å; R101-Y105 PolarHBondContact O-N 2.87Å; R101-Y105 VanDerWaalsContact O-N 3.07Å; I102-Y105 CarbonylContact O-C 3.51Å; I102-Y105 PolarHBondContact O-N 3.44Å; I102-Y105 VanDerWaalsContact O-N 3.16Å; M103-Y105 VanDerWaalsContact C-N 3.3Å; M103-Y105 PolarHBondContact O-N 3Å; Y105-R108 PolarHBondContact O-N 2.79Å; Y105-F109 WeakPolarHBondContact O-CB 3.32Å; Y105-F109 PolarHBondContact O-N 3Å
106	V	63.6	Low	52.4	Low	79 Å²	79	119.3 Å²	119.3	48%	0.479	55%	0.553	S	S	.	*	H	α-helix	trans	-65.2	-43.8	175.4	170.2	0	0	0	0	110.6	I102 M103 F109 A110	I102-V106 HydrophobicContact CG2-CG2 4.08Å; I102-V106 WeakPolarHBondContact O-CB 3.41Å; I102-V106 VanDerWaalsContact O-CG2 3.23Å; I102-V106 WeakPolarHBondContact O-CG2 3.28Å; I102-V106 PolarHBondContact O-N 3.34Å; M103-V106 PolarHBondContact O-N 2.76Å; V106-F109 PolarHBondContact O-N 3.43Å; V106-A110 WeakPolarHBondContact O-CB 3.49Å; V106-A110 PolarHBondContact O-N 3.22Å
107	C	61	Low	51.8	Low	3 Å²	3	115.9 Å²	115.9	2%	0.02	56%	0.555	C	S	.	*	H	α-helix	trans	-63.1	-44	175.2	-75.3	0	0	0	0	111.2	C85 V86 M103 F109 A110 Y111	C85-C107 VanDerWaalsContact C-SG 3.53Å; C85-C107 HydrophobicContact CB-CB 3.86Å; C85-C107 WeakPolarHBondContact CB-SG 3.49Å; C85-C107 WeakPolarHBondContact SG-CB 3.4Å; C85-C107 CovalentContact SG-SG 2.05Å; C85-C107 PolarHBondContact SG-SG 3.44Å; V86-C107 HydrophobicContact CG2-CB 4.48Å; M103-C107 WeakPolarHBondContact O-CB 3.36Å; M103-C107 PolarHBondContact O-N 2.85Å; M103-C107 PolarHBondContact O-SG 3.07Å; M103-C107 VanDerWaalsContact O-SG 3.39Å; C107-F109 VanDerWaalsContact C-N 3.34Å; C107-F109 PolarHBondContact O-N 3.1Å; C107-A110 PolarHBondContact O-N 3.15Å; C107-Y111 VanDerWaalsContact O-CB 3.31Å; C107-Y111 WeakPolarHBondContact O-CB 3.5Å; C107-Y111 PolarHBondContact O-N 3.12Å
108	R	59.8	Low	51.1	Low	66 Å²	66	115.4 Å²	115.4	25%	0.249	56%	0.555	C	S	.	*	H	α-helix	trans	-65.7	-36.4	177	-162.2	179	-68.6	-179.4	-1.7	112.1	W74 E82 A104 Y105 R112	W74-R108 VanDerWaalsContact CH2-NH1 3.26Å; E82-R108 IonicContact OE1-NE 2.64Å; A104-R108 VanDerWaalsContact O-CB 3.22Å; A104-R108 WeakPolarHBondContact O-CB 3.38Å; A104-R108 PolarHBondContact O-N 3.11Å; Y105-R108 PolarHBondContact O-N 2.79Å; R108-R112 WeakPolarHBondContact O-CG 3.42Å; R108-R112 PolarHBondContact O-N 3.36Å; R108-R112 VanDerWaalsContact O-N 3.13Å
109	F	60.4	Low	50.1	Low	113 Å²	113	111.8 Å²	111.8	50%	0.496	56%	0.556	S	S	.	*	H	α-helix	trans	-72.7	-42.1	175.6	-169.5	-93.6	0	0	0	112.2	Y105 V106 C107 R112 R113	Y105-F109 WeakPolarHBondContact O-CB 3.32Å; Y105-F109 PolarHBondContact O-N 3Å; V106-F109 PolarHBondContact O-N 3.43Å; C107-F109 VanDerWaalsContact C-N 3.34Å; C107-F109 PolarHBondContact O-N 3.1Å; F109-R112 PolarHBondContact O-N 3.28Å; F109-R113 PolarHBondContact O-N 2.78Å
110	A	55.1	Low	48.8	Very low	50 Å²	50	115.5 Å²	115.5	41%	0.413	58%	0.576	S	S	.	*	H	α-helix	trans	-64.5	-40.6	177	0	0	0	0	0	111.5	V106 C107 R113 R114	V106-A110 WeakPolarHBondContact O-CB 3.49Å; V106-A110 PolarHBondContact O-N 3.22Å; C107-A110 PolarHBondContact O-N 3.15Å; A110-R113 PolarHBondContact O-N 2.63Å; A110-R114 PolarHBondContact O-N 2.65Å; A110-R114 VanDerWaalsContact O-N 3.1Å
111	Y	51.9	Low	47.9	Very low	141 Å²	141	117.6 Å²	117.6	55%	0.553	59%	0.587	S	S	*	*	H	α-helix	trans	-66.6	-38.7	175.5	-157.9	-90.8	0	0	0	111.7	A81 C107 R113 R114	A81-Y111 HydrophobicContact CB-CE2 3.88Å; C107-Y111 VanDerWaalsContact O-CB 3.31Å; C107-Y111 WeakPolarHBondContact O-CB 3.5Å; C107-Y111 PolarHBondContact O-N 3.12Å; Y111-R113 VanDerWaalsContact C-N 3.32Å; Y111-R113 PolarHBondContact O-N 3.17Å; Y111-R114 VanDerWaalsContact O-O 3.11Å
112	R	52.4	Low	47	Very low	211 Å²	211	111.6 Å²	111.6	80%	0.796	58%	0.58	S	S	*	*	H	α-helix	trans	-67.9	-27.9	173.9	-79.2	-175.5	179.9	-159.9	-0.9	113.9	R108 F109	R108-R112 WeakPolarHBondContact O-CG 3.42Å; R108-R112 PolarHBondContact O-N 3.36Å; R108-R112 VanDerWaalsContact O-N 3.13Å; F109-R112 PolarHBondContact O-N 3.28Å
113	R	49.7	Very low	45.9	Very low	203 Å²	203	111.7 Å²	111.7	77%	0.766	58%	0.582	S	S	*	*	H	α-helix	trans	-86.5	-28.9	-177.9	-123.4	-169.7	-177.4	169	2.3	114	F109 A110 Y111 G115	F109-R113 PolarHBondContact O-N 2.78Å; A110-R113 PolarHBondContact O-N 2.63Å; Y111-R113 VanDerWaalsContact C-N 3.32Å; Y111-R113 PolarHBondContact O-N 3.17Å; R113-G115 PolarHBondContact O-N 3.45Å
114	R	41	Very low	44.6	Very low	221 Å²	221	117.5 Å²	117.5	83%	0.834	61%	0.609	S	S	*	*	S	Bend	trans	-82	92.3	165.8	-80.1	-174.1	175.8	171.1	-0.5	107.3	A110 Y111 G116	A110-R114 PolarHBondContact O-N 2.65Å; A110-R114 VanDerWaalsContact O-N 3.1Å; Y111-R114 VanDerWaalsContact O-O 3.11Å; R114-G116 PolarHBondContact O-N 2.9Å
115	G	36.6	Very low	43.6	Very low	76 Å²	76	123.1 Å²	123.1	78%	0.784	63%	0.634	S	S	*	*			trans	-62.8	61.8	172.8	0	0	0	0	0	112.9	R113 S117	R113-G115 PolarHBondContact O-N 3.45Å; G115-S117 VanDerWaalsContact C-N 3.32Å; G115-S117 PolarHBondContact O-N 3.11Å
116	G	31.3	Very low	42.3	Very low	69 Å²	69	122.2 Å²	122.2	71%	0.711	64%	0.635	S	S	*	*			trans	-73	87.2	177.6	0	0	0	0	0	109.7	R114 E118	R114-G116 PolarHBondContact O-N 2.9Å; G116-E118 VanDerWaalsContact C-N 3.26Å; G116-E118 PolarHBondContact O-N 3.24Å
117	S	30.3	Very low	40.9	Very low	103 Å²	103	125.1 Å²	125.1	72%	0.72	64%	0.644	S	S	*	*			trans	-60.9	84.7	161.8	169.8	0	0	0	0	109.7	G115	G115-S117 VanDerWaalsContact C-N 3.32Å; G115-S117 PolarHBondContact O-N 3.11Å
118	E	31.1	Very low	39.9	Very low	179 Å²	179	130.9 Å²	130.9	84%	0.836	67%	0.674	S	S	*	*			trans	-118.1	92.1	154.1	-83.2	-177.3	171.2	0	0	107.2	G116 L120	G116-E118 VanDerWaalsContact C-N 3.26Å; G116-E118 PolarHBondContact O-N 3.24Å; E118-L120 VanDerWaalsContact C-N 3.33Å; E118-L120 PolarHBondContact O-N 3.5Å
119	T	31.8	Very low	38.9	Very low	124 Å²	124	139 Å²	139	76%	0.761	71%	0.705	S	S	*	*			trans	-62.2	91.5	169.2	46.9	0	0	0	0	108.6	D121	T119-D121 PolarHBondContact O-N 3.21Å
120	L	27.8	Very low	38.4	Very low	158 Å²	158	140.6 Å²	140.6	83%	0.827	72%	0.718	S	S	*	*			trans	-81.1	108.5	158.5	-75.8	166.5	0	0	0	106.6	E118	E118-L120 VanDerWaalsContact C-N 3.33Å; E118-L120 PolarHBondContact O-N 3.5Å
121	D	32.5	Very low	39	Very low	126 Å²	126	143.5 Å²	143.5	67%	0.674	73%	0.726	S	S	*	*			trans	-53.7	134.9	-172.1	-114	-33.7	0	0	0	112.2	T119 D123 E124	T119-D121 PolarHBondContact O-N 3.21Å; D121-D123 PolarHBondContact O-N 3.37Å; D121-E124 PolarHBondContact O-N 3.32Å
122	A	34.7	Very low	40.4	Very low	75 Å²	75	142.5 Å²	142.5	62%	0.62	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.5	-7.6	-179.4	0	0	0	0	0	113.5	E124 I125	A122-E124 VanDerWaalsContact C-N 3.33Å; A122-E124 PolarHBondContact O-N 2.87Å; A122-I125 PolarHBondContact O-N 2.93Å
123	D	35.7	Very low	42.2	Very low	113 Å²	113	135.3 Å²	135.3	60%	0.604	70%	0.696	S	S	*	*	H	α-helix	trans	-71.3	-24.4	-179.7	-74.3	-20	0	0	0	113.3	D121 I125 Q126 H127	D121-D123 PolarHBondContact O-N 3.37Å; D123-I125 VanDerWaalsContact C-N 3.29Å; D123-I125 PolarHBondContact O-N 2.79Å; D123-Q126 PolarHBondContact O-N 2.82Å; D123-H127 PolarHBondContact O-N 3.42Å
124	E	34.6	Very low	44.3	Very low	164 Å²	164	127.7 Å²	127.7	77%	0.766	67%	0.668	S	S	*	*	H	α-helix	trans	-73.3	-21.7	178.6	-127.6	178.1	-172.4	0	0	112.8	D121 A122	D121-E124 PolarHBondContact O-N 3.32Å; A122-E124 VanDerWaalsContact C-N 3.33Å; A122-E124 PolarHBondContact O-N 2.87Å
125	I	35.1	Very low	46.9	Very low	145 Å²	145	117.1 Å²	117.1	74%	0.744	63%	0.629	S	S	*	*	H	α-helix	trans	-85.8	-27.5	178.9	-60.3	176.9	0	0	0	111.8	A122 D123	A122-I125 PolarHBondContact O-N 2.93Å; D123-I125 VanDerWaalsContact C-N 3.29Å; D123-I125 PolarHBondContact O-N 2.79Å
126	Q	33	Very low	49.8	Very low	148 Å²	148	113.5 Å²	113.5	69%	0.692	59%	0.591	S	S	*	*	H	α-helix	trans	-78.9	-30.8	175.9	-80.9	-85.1	-22.3	0	0	112.3	D123 D128	D123-Q126 PolarHBondContact O-N 2.82Å; Q126-D128 VanDerWaalsContact C-N 3.33Å; Q126-D128 PolarHBondContact O-N 3.03Å
127	H	34	Very low	52.9	Low	140 Å²	140	110.4 Å²	110.4	65%	0.648	56%	0.559	S	S	*	*	H	α-helix	trans	-70.1	-23.7	-179.6	-110	-64.2	0	0	0	114.5	D123 R129 L130	D123-H127 PolarHBondContact O-N 3.42Å; H127-R129 VanDerWaalsContact C-N 3.34Å; H127-R129 PolarHBondContact O-N 3.42Å; H127-L130 PolarHBondContact O-N 3.04Å
128	D	40.5	Very low	56	Low	124 Å²	124	106.8 Å²	106.8	66%	0.663	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.5	-176.1	-150.7	31	0	0	0	113.8	Q126	Q126-D128 VanDerWaalsContact C-N 3.33Å; Q126-D128 PolarHBondContact O-N 3.03Å
129	R	38.8	Very low	59	Low	236 Å²	236	98.7 Å²	98.7	89%	0.891	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-13.5	173.9	-75.3	-167.9	-174.2	-173.5	4.2	114.5	H127	H127-R129 VanDerWaalsContact C-N 3.34Å; H127-R129 PolarHBondContact O-N 3.42Å
130	L	49.1	Very low	61.9	Low	146 Å²	146	95 Å²	95	76%	0.764	47%	0.471	S	S	*	.	S	Bend	trans	-90.6	-9.3	177.6	-92.8	149.9	0	0	0	113.1	H127 R132	H127-L130 PolarHBondContact O-N 3.04Å; L130-R132 PolarHBondContact O-N 3.33Å
131	N	66.7	Low	65	Low	111 Å²	111	89.1 Å²	89.1	59%	0.594	44%	0.438	S	S	*	.			trans	-89.9	111.3	-176.9	-127.3	-4.5	0	0	0	111.1
132	R	82.8	Confident	67.6	Low	120 Å²	120	87.1 Å²	87.1	45%	0.453	42%	0.424	S	S	.	.			trans	-66.8	138.1	172.2	-69.1	-176.2	171.9	-165.2	-5.5	109.6	L130 K134 P158 E160	L130-R132 PolarHBondContact O-N 3.33Å; R132-K134 PolarHBondContact O-N 2.8Å; R132-K134 VanDerWaalsContact O-N 3.16Å; R132-P158 CarbonylContact C-O 3.59Å; R132-P158 WeakPolarHBondContact CA-O 3.04Å; R132-E160 HydrophobicContact CB-CB 4.34Å; R132-E160 HydrophobicContact CB-CG 3.99Å
133	F	88.9	Confident	70.1	Confident	60 Å²	60	85.8 Å²	85.8	26%	0.263	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	113.1	174	-57.2	-61.3	0	0	0	110.1	P158 C159 E160 K172 M419	F133-P158 HydrophobicContact CD2-CB 4.45Å; F133-P158 HydrophobicContact CD2-CG 4.16Å; F133-P158 WeakPolarHBondContact CD2-O 3.48Å; F133-P158 HydrophobicContact CE2-CB 4.46Å; F133-P158 HydrophobicContact CE2-CG 4.01Å; F133-P158 PolarHBondContact N-O 3.43Å; F133-C159 VanDerWaalsContact O-CA 3.3Å; F133-C159 WeakPolarHBondContact O-CA 3.39Å; F133-E160 PolarHBondContact O-N 3Å; F133-K172 HydrophobicContact CB-CB 4.32Å; F133-K172 HydrophobicContact CB-CG 4.41Å; F133-K172 HydrophobicContact CD1-CG 3.89Å; F133-K172 HydrophobicContact CG-CG 4.48Å; F133-M419 HydrophobicContact CD2-CB 4.4Å; F133-M419 HydrophobicContact CE2-CB 3.89Å; F133-M419 HydrophobicContact CE2-CG 3.8Å; F133-M419 HydrophobicContact CZ-CG 4.44Å
134	K	93.4	Very high	72.8	Confident	43 Å²	43	86 Å²	86	19%	0.187	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	128	177.6	-76.2	173.9	178.4	175	0	111.5	R132 E160 E167 K172 A173	R132-K134 PolarHBondContact O-N 2.8Å; R132-K134 VanDerWaalsContact O-N 3.16Å; K134-E160 CarbonylContact C-O 3.57Å; K134-E160 WeakPolarHBondContact CA-O 3.42Å; K134-E160 WeakPolarHBondContact CE-OE1 3.43Å; K134-E160 HydrophobicContact CG-CG 3.79Å; K134-E160 WeakPolarHBondContact CG-OE1 3.46Å; K134-E167 HydrophobicContact CD-CG 4.48Å; K134-E167 WeakPolarHBondContact CD-OE2 3.22Å; K134-E167 IonicContact NZ-OE1 3.06Å; K134-E167 PolarHBondContact NZ-OE1 3.09Å; K134-E167 IonicContact NZ-OE2 2.64Å; K134-E167 PolarHBondContact NZ-OE2 2.84Å; K134-K172 PolarHBondContact O-N 3.48Å; K134-A173 PolarHBondContact O-N 2.88Å
135	I	97	Very high	75.6	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.8	167.6	-61.8	162.8	0	0	0	107.1	A137 F151 C159 E160 I161 T162 A173 L175 L414 L418	I135-A137 PolarHBondContact O-N 3.1Å; I135-F151 HydrophobicContact CD1-CZ 3.93Å; I135-C159 HydrophobicContact CD1-CB 4.3Å; I135-E160 PolarHBondContact N-O 3.01Å; I135-I161 HydrophobicContact CB-CG1 4.49Å; I135-I161 HydrophobicContact CG2-CD1 4.42Å; I135-I161 HydrophobicContact CG2-CG1 4.44Å; I135-I161 WeakPolarHBondContact O-CA 3.34Å; I135-I161 WeakPolarHBondContact O-CG1 3.37Å; I135-T162 PolarHBondContact O-N 3.37Å; I135-A173 WeakPolarHBondContact CA-O 3.38Å; I135-L175 HydrophobicContact CG2-CB 4.34Å; I135-L414 HydrophobicContact CD1-CD2 4.08Å; I135-L414 HydrophobicContact CD1-CG 4.35Å; I135-L418 HydrophobicContact CD1-CD1 3.75Å; I135-L418 HydrophobicContact CG1-CD1 3.58Å
136	L	97	Very high	78.5	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.6	176.4	175	60.4	0	0	0	109.9	W138 T162 D164 Y168 A173 V174 L175	L136-W138 HydrophobicContact CD2-CE3 3.96Å; L136-W138 HydrophobicContact CD2-CZ3 4.27Å; L136-W138 PolarHBondContact O-N 3.08Å; L136-W138 VanDerWaalsContact O-N 3.09Å; L136-T162 CarbonylContact C-O 3.54Å; L136-T162 WeakPolarHBondContact CA-O 3.33Å; L136-T162 HydrophobicContact CD1-CG2 4.23Å; L136-D164 VanDerWaalsContact CD1-O 3.31Å; L136-D164 WeakPolarHBondContact CD1-O 3.5Å; L136-Y168 HydrophobicContact CD2-CD2 3.99Å; L136-Y168 HydrophobicContact CD2-CG 4.44Å; L136-A173 PolarHBondContact N-O 3.46Å; L136-V174 HydrophobicContact CB-CG1 4.48Å; L136-V174 HydrophobicContact CB-CG2 4.39Å; L136-V174 HydrophobicContact CD2-CG1 4.4Å; L136-V174 HydrophobicContact CG-CG1 4.41Å; L136-V174 CarbonylContact O-C 3.59Å; L136-V174 VanDerWaalsContact O-CA 3.29Å; L136-V174 WeakPolarHBondContact O-CA 3.47Å; L136-L175 PolarHBondContact O-N 3.29Å
137	A	96.7	Very high	81.4	Confident	4 Å²	4	73.7 Å²	73.7	3%	0.033	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	100.2	166.2	0	0	0	0	0	109.6	I135 T139 F146 I161 T162	I135-A137 PolarHBondContact O-N 3.1Å; A137-T139 VanDerWaalsContact C-N 3.32Å; A137-F146 HydrophobicContact CB-CB 4.05Å; A137-F146 HydrophobicContact CB-CD2 3.37Å; A137-F146 HydrophobicContact CB-CE2 4.09Å; A137-F146 HydrophobicContact CB-CG 3.99Å; A137-I161 HydrophobicContact CB-CD1 4.37Å; A137-I161 HydrophobicContact CB-CG1 4.27Å; A137-T162 PolarHBondContact N-O 3.42Å
138	W	95	Very high	84.2	Confident	27 Å²	27	70.4 Å²	70.4	10%	0.102	36%	0.356	C	S	.	.			trans	-72.9	-29.6	-177.9	-170.9	-79.9	0	0	0	112.3	L136 R165 Y168 V174 L175 F176 D185 P187	L136-W138 HydrophobicContact CD2-CE3 3.96Å; L136-W138 HydrophobicContact CD2-CZ3 4.27Å; L136-W138 PolarHBondContact O-N 3.08Å; L136-W138 VanDerWaalsContact O-N 3.09Å; W138-R165 VanDerWaalsContact C-NH1 3.26Å; W138-R165 VanDerWaalsContact CD1-NH1 3.33Å; W138-R165 VanDerWaalsContact CE2-CZ 3.41Å; W138-R165 PolarHBondContact O-NH1 3.22Å; W138-R165 PolarHBondContact O-NH2 3.3Å; W138-Y168 AromaticContact CE3-CD2 4Å; W138-Y168 HydrophobicContact CE3-CD2 4Å; W138-Y168 HydrophobicContact CE3-CE2 4.27Å; W138-Y168 AromaticContact CZ3-CD2 3.46Å; W138-Y168 HydrophobicContact CZ3-CD2 3.46Å; W138-Y168 VanDerWaalsContact CZ3-CD2 3.46Å; W138-Y168 AromaticContact CZ3-CE2 3.79Å; W138-Y168 HydrophobicContact CZ3-CE2 3.79Å; W138-Y168 HydrophobicContact CZ3-CG 4.13Å; W138-V174 HydrophobicContact CB-CG1 3.57Å; W138-V174 HydrophobicContact CD2-CG1 4.27Å; W138-V174 HydrophobicContact CE3-CG1 3.83Å; W138-V174 HydrophobicContact CG-CG1 4.22Å; W138-L175 WeakPolarHBondContact CB-O 3.1Å; W138-L175 PolarHBondContact N-O 3.18Å; W138-F176 HydrophobicContact CB-CD1 3.73Å; W138-F176 HydrophobicContact CB-CD2 4.43Å; W138-F176 HydrophobicContact CB-CE1 3.55Å; W138-F176 HydrophobicContact CB-CE2 4.27Å; W138-F176 HydrophobicContact CB-CG 4.17Å; W138-F176 HydrophobicContact CB-CZ 3.82Å; W138-F176 AromaticContact CD1-CD1 3.58Å; W138-F176 AromaticContact CD1-CE1 3.25Å; W138-F176 AromaticContact CD2-CE1 3.72Å; W138-F176 HydrophobicContact CD2-CE1 3.72Å; W138-F176 AromaticContact CD2-CZ 3.95Å; W138-F176 HydrophobicContact CD2-CZ 3.95Å; W138-F176 HydrophobicContact CE3-CZ 4.41Å; W138-F176 AromaticContact CG-CD1 3.68Å; W138-F176 HydrophobicContact CG-CD1 3.68Å; W138-F176 AromaticContact CG-CE1 3.16Å; W138-F176 HydrophobicContact CG-CE1 3.16Å; W138-F176 AromaticContact CG-CZ 3.67Å; W138-F176 HydrophobicContact CG-CZ 3.67Å; W138-F176 AromaticContact NE1-CE1 3.83Å; W138-D185 WeakPolarHBondContact CZ2-O 3.29Å; W138-D185 PolarHBondContact NE1-O 2.87Å; W138-P187 HydrophobicContact CD2-CG 4.43Å; W138-P187 HydrophobicContact CE3-CG 4.36Å; W138-P187 HydrophobicContact CH2-CB 3.88Å; W138-P187 HydrophobicContact CH2-CG 4.11Å; W138-P187 HydrophobicContact CZ2-CB 4.25Å; W138-P187 HydrophobicContact CZ2-CG 4.19Å; W138-P187 HydrophobicContact CZ3-CB 4.21Å; W138-P187 HydrophobicContact CZ3-CG 4.2Å
139	T	94.4	Very high	86.7	Confident	8 Å²	8	67.8 Å²	67.8	5%	0.049	35%	0.348	C	S	.	.	S	Bend	trans	-125.6	151.9	175.3	59.1	0	0	0	0	108.1	A137 H177 D180 I181	A137-T139 VanDerWaalsContact C-N 3.32Å; T139-H177 WeakPolarHBondContact OG1-CA 3.37Å; T139-H177 VanDerWaalsContact OG1-CB 3.31Å; T139-H177 WeakPolarHBondContact OG1-CB 3.44Å; T139-H177 PolarHBondContact OG1-N 2.62Å; T139-D180 HydrophobicContact CG2-CB 4.48Å; T139-I181 HydrophobicContact CG2-CG1 4.09Å
140	P	93.3	Very high	89.3	Confident	48 Å²	48	57.2 Å²	57.2	31%	0.312	31%	0.309	S	S	.	.			trans	-61.5	169.1	165.4	30.4	-35.7	0	0	0	110.4	D144 D180	P140-D144 CarbonylContact C-O 3.57Å; P140-D144 WeakPolarHBondContact CA-O 3.25Å; P140-D144 VanDerWaalsContact CB-O 3.31Å; P140-D144 WeakPolarHBondContact CB-O 3.34Å; P140-D180 HydrophobicContact CG-CB 4.26Å; P140-D180 VanDerWaalsContact O-OD2 3.06Å
141	F	92	Very high	91.5	Very high	33 Å²	33	50.7 Å²	50.7	15%	0.145	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-105.7	101.6	171.5	-177.6	-145.5	0	0	0	109.6	G143 D144 F146 H177 F199 K201	F141-G143 PolarHBondContact O-N 3.07Å; F141-D144 PolarHBondContact N-O 3.38Å; F141-D144 PolarHBondContact O-N 2.73Å; F141-F146 HydrophobicContact CB-CE1 4.33Å; F141-F146 HydrophobicContact CB-CE2 3.78Å; F141-F146 HydrophobicContact CB-CZ 3.6Å; F141-F146 HydrophobicContact CG-CZ 4.23Å; F141-H177 AromaticContact CD2-CD2 3.88Å; F141-H177 AromaticContact CD2-CE1 3.68Å; F141-H177 AromaticContact CD2-CG 3.93Å; F141-H177 AromaticContact CD2-ND1 3.82Å; F141-H177 AromaticContact CD2-NE2 3.77Å; F141-H177 AromaticContact CE2-CE1 3.99Å; F141-H177 AromaticContact CE2-NE2 3.71Å; F141-F199 HydrophobicContact CB-CE1 4.31Å; F141-F199 HydrophobicContact CD1-CE1 4.23Å; F141-F199 HydrophobicContact CD1-CZ 4.23Å; F141-F199 HydrophobicContact CD2-CD1 4.46Å; F141-F199 AromaticContact CD2-CE1 3.48Å; F141-F199 HydrophobicContact CD2-CE1 3.48Å; F141-F199 VanDerWaalsContact CD2-CE1 3.48Å; F141-F199 HydrophobicContact CD2-CZ 4.18Å; F141-F199 HydrophobicContact CE1-CE1 4.43Å; F141-F199 HydrophobicContact CE1-CZ 4.19Å; F141-F199 AromaticContact CE2-CE1 3.69Å; F141-F199 HydrophobicContact CE2-CE1 3.69Å; F141-F199 HydrophobicContact CE2-CZ 4.11Å; F141-F199 AromaticContact CG-CE1 3.77Å; F141-F199 HydrophobicContact CG-CE1 3.77Å; F141-F199 HydrophobicContact CG-CZ 4.24Å; F141-F199 HydrophobicContact CZ-CE1 4.18Å; F141-F199 HydrophobicContact CZ-CZ 4.14Å; F141-K201 HydrophobicContact CE1-CD 4.27Å; F141-K201 HydrophobicContact CZ-CB 4.37Å; F141-K201 HydrophobicContact CZ-CD 3.61Å; F141-K201 HydrophobicContact CZ-CG 4.12Å
142	F	87.4	Confident	92.8	Very high	84 Å²	84	51.2 Å²	51.2	37%	0.368	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.2	31.8	-172.1	-60.4	-75.4	0	0	0	113.9	H177 D180 E202	F142-H177 AromaticContact CD1-CE1 3.91Å; F142-H177 AromaticContact CE1-CE1 3.91Å; F142-D180 WeakPolarHBondContact CA-OD2 3.47Å; F142-D180 PolarHBondContact N-OD2 3.34Å; F142-E202 HydrophobicContact CE1-CG 4.01Å; F142-E202 WeakPolarHBondContact CE1-OE1 3.27Å; F142-E202 HydrophobicContact CZ-CG 3.73Å; F142-E202 WeakPolarHBondContact CZ-OE1 3.45Å
143	G	87.3	Confident	93.2	Very high	48 Å²	48	49.4 Å²	49.4	50%	0.495	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-14.6	-178.1	0	0	0	0	0	114.7	F141	F141-G143 PolarHBondContact O-N 3.07Å
144	D	91.3	Very high	93.4	Very high	116 Å²	116	47.6 Å²	47.6	62%	0.62	26%	0.26	S	S	*	.	B	Isolated β-bridge	trans	-88.1	131.6	178.6	-62.5	-42	0	0	0	111.1	P140 F141	P140-D144 CarbonylContact C-O 3.57Å; P140-D144 WeakPolarHBondContact CA-O 3.25Å; P140-D144 VanDerWaalsContact CB-O 3.31Å; P140-D144 WeakPolarHBondContact CB-O 3.34Å; F141-D144 PolarHBondContact N-O 3.38Å; F141-D144 PolarHBondContact O-N 2.73Å
145	P	94	Very high	93.2	Very high	93 Å²	93	49.6 Å²	49.6	60%	0.604	28%	0.278	S	S	*	.	P	Polyproline II helix	trans	-71	155	175.2	30.6	-34.3	0	0	0	111.2
146	F	95	Very high	92.7	Very high	14 Å²	14	56.9 Å²	56.9	6%	0.061	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-82	151.2	175.8	-74.7	-88.9	0	0	0	111.8	A137 F141 V150 I161 N163 L175 F199 F411	A137-F146 HydrophobicContact CB-CB 4.05Å; A137-F146 HydrophobicContact CB-CD2 3.37Å; A137-F146 HydrophobicContact CB-CE2 4.09Å; A137-F146 HydrophobicContact CB-CG 3.99Å; F141-F146 HydrophobicContact CB-CE1 4.33Å; F141-F146 HydrophobicContact CB-CE2 3.78Å; F141-F146 HydrophobicContact CB-CZ 3.6Å; F141-F146 HydrophobicContact CG-CZ 4.23Å; F146-V150 HydrophobicContact CD1-CG1 3.91Å; F146-V150 HydrophobicContact CE1-CG1 4.49Å; F146-I161 HydrophobicContact CB-CD1 3.55Å; F146-I161 HydrophobicContact CB-CG1 3.84Å; F146-I161 HydrophobicContact CB-CG2 4.22Å; F146-I161 HydrophobicContact CD1-CD1 3.71Å; F146-I161 HydrophobicContact CD2-CD1 4.42Å; F146-I161 HydrophobicContact CE1-CD1 4.49Å; F146-I161 HydrophobicContact CG-CD1 3.64Å; F146-I161 HydrophobicContact CG-CG1 4.42Å; F146-N163 PolarHBondContact N-OD1 3.08Å; F146-N163 PolarHBondContact O-ND2 2.91Å; F146-L175 HydrophobicContact CE1-CD2 4.11Å; F146-L175 HydrophobicContact CE2-CD2 3.93Å; F146-L175 HydrophobicContact CZ-CD2 3.64Å; F146-F199 HydrophobicContact CE1-CE1 4.48Å; F146-F199 HydrophobicContact CE1-CZ 4.27Å; F146-F199 HydrophobicContact CZ-CD1 4.34Å; F146-F199 AromaticContact CZ-CE1 3.73Å; F146-F199 HydrophobicContact CZ-CE1 3.73Å; F146-F199 AromaticContact CZ-CZ 3.95Å; F146-F199 HydrophobicContact CZ-CZ 3.95Å; F146-F411 HydrophobicContact CD1-CZ 4.06Å; F146-F411 HydrophobicContact CE1-CE2 4.1Å; F146-F411 AromaticContact CE1-CZ 3.56Å; F146-F411 HydrophobicContact CE1-CZ 3.56Å; F146-F411 HydrophobicContact CZ-CZ 4.34Å
147	D	93.9	Very high	92.2	Very high	92 Å²	92	57.9 Å²	57.9	49%	0.492	32%	0.323	S	S	.	.			trans	-136.9	171.8	168.4	66.8	29.4	0	0	0	110.4	S149 V150 I161	D147-S149 PolarHBondContact O-N 3.34Å; D147-S149 WeakPolarHBondContact OD1-CA 3.5Å; D147-S149 WeakPolarHBondContact OD1-CB 3.46Å; D147-S149 PolarHBondContact OD1-N 3.49Å; D147-S149 PolarHBondContact OD1-OG 3.46Å; D147-V150 WeakPolarHBondContact O-CG2 3.48Å; D147-V150 PolarHBondContact O-N 3.17Å; D147-I161 WeakPolarHBondContact O-CG2 3.31Å
148	N	93.1	Very high	92	Very high	71 Å²	71	60.1 Å²	60.1	38%	0.38	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-66.3	-2.6	-178.4	-76.6	-38.1	0	0	0	114	V150 F151 E160 I161	N148-V150 PolarHBondContact O-N 3.44Å; N148-F151 PolarHBondContact O-N 3.05Å; N148-E160 WeakPolarHBondContact OD1-CA 3.2Å; N148-I161 PolarHBondContact OD1-N 2.85Å
149	S	92.8	Very high	91.9	Very high	70 Å²	70	58.9 Å²	58.9	49%	0.49	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-65.9	-18	172.1	79.8	0	0	0	0	112.6	D147 F151 R152	D147-S149 PolarHBondContact O-N 3.34Å; D147-S149 WeakPolarHBondContact OD1-CA 3.5Å; D147-S149 WeakPolarHBondContact OD1-CB 3.46Å; D147-S149 PolarHBondContact OD1-N 3.49Å; D147-S149 PolarHBondContact OD1-OG 3.46Å; S149-F151 PolarHBondContact O-N 2.94Å; S149-F151 VanDerWaalsContact O-N 3.13Å; S149-R152 VanDerWaalsContact O-CB 3.22Å; S149-R152 WeakPolarHBondContact O-CB 3.39Å; S149-R152 WeakPolarHBondContact O-CG 3.29Å; S149-R152 PolarHBondContact O-N 3.45Å
150	V	94.2	Very high	91.9	Very high	13 Å²	13	61 Å²	61	8%	0.079	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-58.5	-23.4	169.1	-59.3	0	0	0	0	112.3	F146 D147 N148 I161 S408 F411	F146-V150 HydrophobicContact CD1-CG1 3.91Å; F146-V150 HydrophobicContact CE1-CG1 4.49Å; D147-V150 WeakPolarHBondContact O-CG2 3.48Å; D147-V150 PolarHBondContact O-N 3.17Å; N148-V150 PolarHBondContact O-N 3.44Å; V150-I161 HydrophobicContact CG2-CB 4.5Å; V150-I161 HydrophobicContact CG2-CD1 4.43Å; V150-I161 HydrophobicContact CG2-CG2 3.93Å; V150-S408 WeakPolarHBondContact O-CA 3.42Å; V150-S408 VanDerWaalsContact O-CB 3.28Å; V150-S408 WeakPolarHBondContact O-CB 3.31Å; V150-S408 PolarHBondContact O-OG 3Å; V150-F411 HydrophobicContact CB-CB 4.23Å; V150-F411 HydrophobicContact CB-CD1 4.26Å; V150-F411 HydrophobicContact CB-CD2 3.71Å; V150-F411 HydrophobicContact CB-CE2 4.09Å; V150-F411 HydrophobicContact CB-CG 3.8Å; V150-F411 HydrophobicContact CG1-CD2 4.11Å; V150-F411 HydrophobicContact CG1-CE2 3.99Å; V150-F411 HydrophobicContact CG1-CZ 4.34Å; V150-F411 HydrophobicContact CG2-CB 4.27Å; V150-F411 HydrophobicContact CG2-CD1 3.92Å; V150-F411 HydrophobicContact CG2-CD2 4.28Å; V150-F411 HydrophobicContact CG2-CE1 4.33Å; V150-F411 HydrophobicContact CG2-CG 3.9Å
151	F	94.7	Very high	92	Very high	9 Å²	9	59.2 Å²	59.2	4%	0.039	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-96.5	14.4	176.1	-56.9	-68.5	0	0	0	113.8	I135 N148 S149 M153 C154 V157 C159 I161 F411 C415	I135-F151 HydrophobicContact CD1-CZ 3.93Å; N148-F151 PolarHBondContact O-N 3.05Å; S149-F151 PolarHBondContact O-N 2.94Å; S149-F151 VanDerWaalsContact O-N 3.13Å; F151-M153 PolarHBondContact O-N 3.31Å; F151-M153 VanDerWaalsContact O-N 3.12Å; F151-C154 CarbonylContact O-C 3.6Å; F151-C154 WeakPolarHBondContact O-CA 3.37Å; F151-C154 PolarHBondContact O-N 2.84Å; F151-V157 HydrophobicContact CB-CG2 4.38Å; F151-V157 HydrophobicContact CD1-CG2 3.79Å; F151-V157 HydrophobicContact CE1-CG2 4.41Å; F151-V157 HydrophobicContact CG-CG2 4.2Å; F151-C159 HydrophobicContact CE1-CB 4.2Å; F151-C159 HydrophobicContact CE2-CB 4.48Å; F151-C159 HydrophobicContact CZ-CB 4Å; F151-I161 HydrophobicContact CE2-CB 4.07Å; F151-I161 HydrophobicContact CE2-CG2 4.22Å; F151-F411 HydrophobicContact CD1-CB 4.09Å; F151-F411 HydrophobicContact CE1-CB 3.79Å; F151-F411 HydrophobicContact CE1-CD1 4.34Å; F151-F411 HydrophobicContact CZ-CB 4.48Å; F151-F411 HydrophobicContact CZ-CD1 4.28Å; F151-C415 HydrophobicContact CE1-CB 4.3Å
152	R	93.9	Very high	92.2	Very high	123 Å²	123	59 Å²	59	46%	0.464	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-34	-176.2	69.2	-174.1	-163.8	-172.9	13.1	114.9	S149 C154 D405 S408	S149-R152 VanDerWaalsContact O-CB 3.22Å; S149-R152 WeakPolarHBondContact O-CB 3.39Å; S149-R152 WeakPolarHBondContact O-CG 3.29Å; S149-R152 PolarHBondContact O-N 3.45Å; R152-C154 VanDerWaalsContact C-N 3.25Å; R152-C154 PolarHBondContact O-N 3.17Å; R152-D405 IonicContact CZ-OD1 3.16Å; R152-D405 IonicContact NE-OD1 2.63Å; R152-D405 PolarHBondContact NE-OD1 3.26Å; R152-D405 IonicContact NH2-OD1 3.24Å; R152-D405 PolarHBondContact NH2-OD1 2.86Å; R152-S408 PolarHBondContact N-OG 2.97Å
153	M	92.6	Very high	92.7	Very high	82 Å²	82	58.1 Å²	58.1	40%	0.404	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-4.1	178.3	-67.3	-165.9	77.5	0	0	113.4	F151 D405 S408 L409	F151-M153 PolarHBondContact O-N 3.31Å; F151-M153 VanDerWaalsContact O-N 3.12Å; M153-D405 HydrophobicContact CE-CB 4.32Å; M153-D405 VanDerWaalsContact SD-CA 3.54Å; M153-D405 HydrophobicContact SD-CB 3.43Å; M153-D405 WeakPolarHBondContact SD-CB 3.22Å; M153-D405 VanDerWaalsContact SD-CG 3.55Å; M153-D405 VanDerWaalsContact SD-O 3.35Å; M153-S408 WeakPolarHBondContact CB-OG 3.49Å; M153-S408 PolarHBondContact N-OG 2.92Å; M153-L409 HydrophobicContact CB-CD2 4.38Å; M153-L409 HydrophobicContact CE-CD1 4.32Å; M153-L409 HydrophobicContact CE-CD2 4.07Å; M153-L409 HydrophobicContact CE-CG 4.16Å; M153-L409 HydrophobicContact SD-CD1 4.19Å; M153-L409 HydrophobicContact SD-CD2 4.03Å; M153-L409 HydrophobicContact SD-CG 3.67Å
154	C	93.1	Very high	93.1	Very high	21 Å²	21	59.1 Å²	59.1	14%	0.142	32%	0.324	C	S	.	.			trans	-149.7	58.9	-179.3	61.7	0	0	0	0	111.4	F151 R152 N156 V157 C412	F151-C154 CarbonylContact O-C 3.6Å; F151-C154 WeakPolarHBondContact O-CA 3.37Å; F151-C154 PolarHBondContact O-N 2.84Å; R152-C154 VanDerWaalsContact C-N 3.25Å; R152-C154 PolarHBondContact O-N 3.17Å; C154-N156 PolarHBondContact O-N 3.49Å; C154-V157 HydrophobicContact CB-CG1 3.68Å; C154-V157 VanDerWaalsContact O-CG2 3.3Å; C154-V157 WeakPolarHBondContact O-CG2 3.3Å; C154-V157 PolarHBondContact O-N 2.95Å; C154-C412 HydrophobicContact CB-CB 3.82Å; C154-C412 WeakPolarHBondContact CB-SG 3.31Å; C154-C412 VanDerWaalsContact SG-CA 3.52Å; C154-C412 WeakPolarHBondContact SG-CB 2.97Å; C154-C412 CovalentContact SG-SG 2.01Å; C154-C412 PolarHBondContact SG-SG 2.94Å
155	P	87.7	Confident	93.2	Very high	85 Å²	85	57.8 Å²	57.8	55%	0.552	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-16.4	-171.3	26.7	-36.2	0	0	0	114.2
156	N	86.8	Confident	93.1	Very high	154 Å²	154	61.9 Å²	61.9	82%	0.824	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93	0.2	-178.3	-59.6	-21.9	0	0	0	113.6	C154	C154-N156 PolarHBondContact O-N 3.49Å
157	V	87.1	Confident	93	Very high	21 Å²	21	63.6 Å²	63.6	13%	0.127	33%	0.327	C	S	.	.	S	Bend	trans	-69.1	139.9	175.7	-61.2	0	0	0	0	109.6	F151 C154 C159 C415	F151-V157 HydrophobicContact CB-CG2 4.38Å; F151-V157 HydrophobicContact CD1-CG2 3.79Å; F151-V157 HydrophobicContact CE1-CG2 4.41Å; F151-V157 HydrophobicContact CG-CG2 4.2Å; C154-V157 HydrophobicContact CB-CG1 3.68Å; C154-V157 VanDerWaalsContact O-CG2 3.3Å; C154-V157 WeakPolarHBondContact O-CG2 3.3Å; C154-V157 PolarHBondContact O-N 2.95Å; V157-C159 HydrophobicContact CG2-CB 4.44Å; V157-C159 PolarHBondContact O-N 3.28Å; V157-C415 HydrophobicContact CB-CB 4.3Å; V157-C415 HydrophobicContact CG2-CB 4.14Å
158	P	91.7	Very high	92.9	Very high	50 Å²	50	60.8 Å²	60.8	33%	0.325	31%	0.31	S	S	.	.	S	Bend	trans	-80	48.1	-177.5	35.2	-37.4	0	0	0	111	R132 F133 M419	R132-P158 CarbonylContact C-O 3.59Å; R132-P158 WeakPolarHBondContact CA-O 3.04Å; F133-P158 HydrophobicContact CD2-CB 4.45Å; F133-P158 HydrophobicContact CD2-CG 4.16Å; F133-P158 WeakPolarHBondContact CD2-O 3.48Å; F133-P158 HydrophobicContact CE2-CB 4.46Å; F133-P158 HydrophobicContact CE2-CG 4.01Å; F133-P158 PolarHBondContact N-O 3.43Å; P158-M419 HydrophobicContact CG-SD 3.81Å
159	C	94.1	Very high	92.7	Very high	2 Å²	2	62.7 Å²	62.7	1%	0.014	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.9	174.3	-65.1	0	0	0	0	111.3	F133 I135 F151 V157 C415	F133-C159 VanDerWaalsContact O-CA 3.3Å; F133-C159 WeakPolarHBondContact O-CA 3.39Å; I135-C159 HydrophobicContact CD1-CB 4.3Å; F151-C159 HydrophobicContact CE1-CB 4.2Å; F151-C159 HydrophobicContact CE2-CB 4.48Å; F151-C159 HydrophobicContact CZ-CB 4Å; V157-C159 HydrophobicContact CG2-CB 4.44Å; V157-C159 PolarHBondContact O-N 3.28Å; C159-C415 HydrophobicContact CB-CB 3.75Å; C159-C415 WeakPolarHBondContact CB-SG 3.23Å; C159-C415 WeakPolarHBondContact SG-CA 3.31Å; C159-C415 WeakPolarHBondContact SG-CB 3.3Å; C159-C415 CovalentContact SG-SG 2.02Å; C159-C415 PolarHBondContact SG-SG 2.73Å
160	E	94.3	Very high	92.5	Very high	53 Å²	53	63.7 Å²	63.7	25%	0.248	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147	168.8	63	179.5	-162.4	0	0	109.8	R132 F133 K134 I135 N148	R132-E160 HydrophobicContact CB-CB 4.34Å; R132-E160 HydrophobicContact CB-CG 3.99Å; F133-E160 PolarHBondContact O-N 3Å; K134-E160 CarbonylContact C-O 3.57Å; K134-E160 WeakPolarHBondContact CA-O 3.42Å; K134-E160 WeakPolarHBondContact CE-OE1 3.43Å; K134-E160 HydrophobicContact CG-CG 3.79Å; K134-E160 WeakPolarHBondContact CG-OE1 3.46Å; I135-E160 PolarHBondContact N-O 3.01Å; N148-E160 WeakPolarHBondContact OD1-CA 3.2Å
161	I	96.2	Very high	92.4	Very high	10 Å²	10	63.1 Å²	63.1	5%	0.051	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	134.2	174.6	-166.3	157.8	0	0	0	109.2	I135 A137 F146 D147 N148 V150 F151 L175 F411	I135-I161 HydrophobicContact CB-CG1 4.49Å; I135-I161 HydrophobicContact CG2-CD1 4.42Å; I135-I161 HydrophobicContact CG2-CG1 4.44Å; I135-I161 WeakPolarHBondContact O-CA 3.34Å; I135-I161 WeakPolarHBondContact O-CG1 3.37Å; A137-I161 HydrophobicContact CB-CD1 4.37Å; A137-I161 HydrophobicContact CB-CG1 4.27Å; F146-I161 HydrophobicContact CB-CD1 3.55Å; F146-I161 HydrophobicContact CB-CG1 3.84Å; F146-I161 HydrophobicContact CB-CG2 4.22Å; F146-I161 HydrophobicContact CD1-CD1 3.71Å; F146-I161 HydrophobicContact CD2-CD1 4.42Å; F146-I161 HydrophobicContact CE1-CD1 4.49Å; F146-I161 HydrophobicContact CG-CD1 3.64Å; F146-I161 HydrophobicContact CG-CG1 4.42Å; D147-I161 WeakPolarHBondContact O-CG2 3.31Å; N148-I161 PolarHBondContact OD1-N 2.85Å; V150-I161 HydrophobicContact CG2-CB 4.5Å; V150-I161 HydrophobicContact CG2-CD1 4.43Å; V150-I161 HydrophobicContact CG2-CG2 3.93Å; F151-I161 HydrophobicContact CE2-CB 4.07Å; F151-I161 HydrophobicContact CE2-CG2 4.22Å; I161-L175 HydrophobicContact CD1-CD2 4.43Å; I161-F411 HydrophobicContact CD1-CE1 3.8Å; I161-F411 HydrophobicContact CD1-CZ 4.36Å
162	T	96.2	Very high	92.3	Very high	29 Å²	29	64.8 Å²	64.8	18%	0.178	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	148.8	178.6	-179.1	0	0	0	0	109.9	I135 L136 A137 D164 E167	I135-T162 PolarHBondContact O-N 3.37Å; L136-T162 CarbonylContact C-O 3.54Å; L136-T162 WeakPolarHBondContact CA-O 3.33Å; L136-T162 HydrophobicContact CD1-CG2 4.23Å; A137-T162 PolarHBondContact N-O 3.42Å; T162-D164 PolarHBondContact OG1-N 3.34Å; T162-D164 VanDerWaalsContact OG1-N 3.08Å; T162-E167 HydrophobicContact CG2-CB 4.02Å; T162-E167 HydrophobicContact CG2-CG 4.3Å
163	N	96.6	Very high	92.4	Very high	64 Å²	64	58.9 Å²	58.9	34%	0.342	31%	0.305	S	S	.	.			trans	-102.4	-0.6	170.2	-50	-86.7	0	0	0	111.5	F146 R165	F146-N163 PolarHBondContact N-OD1 3.08Å; F146-N163 PolarHBondContact O-ND2 2.91Å; N163-R165 PolarHBondContact O-N 3Å
164	D	95.8	Very high	92.5	Very high	70 Å²	70	55 Å²	55	37%	0.374	29%	0.286	S	S	.	.			trans	-76.1	111.2	-177.3	-170.3	-9.8	0	0	0	111.2	L136 T162 K166 E167	L136-D164 VanDerWaalsContact CD1-O 3.31Å; L136-D164 WeakPolarHBondContact CD1-O 3.5Å; T162-D164 PolarHBondContact OG1-N 3.34Å; T162-D164 VanDerWaalsContact OG1-N 3.08Å; D164-K166 PolarHBondContact O-N 3.5Å; D164-K166 VanDerWaalsContact O-N 3.09Å; D164-K166 WeakPolarHBondContact OD1-CB 3.48Å; D164-K166 VanDerWaalsContact OD1-CG 3.31Å; D164-K166 WeakPolarHBondContact OD1-CG 3.44Å; D164-K166 PolarHBondContact OD1-N 3.15Å; D164-E167 HydrophobicContact CB-CG 4.28Å; D164-E167 WeakPolarHBondContact O-CB 3.27Å; D164-E167 PolarHBondContact O-N 3.15Å
165	R	92.7	Very high	92.6	Very high	88 Å²	88	54 Å²	54	33%	0.332	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-53.1	-28	176.2	-66.3	-64.7	-159.9	-149.4	-0.6	113.9	W138 N163 E167 Y168 D185	W138-R165 VanDerWaalsContact C-NH1 3.26Å; W138-R165 VanDerWaalsContact CD1-NH1 3.33Å; W138-R165 VanDerWaalsContact CE2-CZ 3.41Å; W138-R165 PolarHBondContact O-NH1 3.22Å; W138-R165 PolarHBondContact O-NH2 3.3Å; N163-R165 PolarHBondContact O-N 3Å; R165-E167 PolarHBondContact O-N 3.23Å; R165-Y168 WeakPolarHBondContact O-CB 3.24Å; R165-Y168 PolarHBondContact O-N 2.6Å; R165-D185 IonicContact CZ-OD2 2.81Å; R165-D185 IonicContact NH2-OD2 3.69Å; R165-D185 PolarHBondContact NH2-OD2 3.36Å
166	K	92.7	Very high	92.9	Very high	179 Å²	179	50 Å²	50	78%	0.778	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-63.8	-22.8	-180	-63.5	172.1	-173.8	172.2	0	112.2	D164 Y168	D164-K166 PolarHBondContact O-N 3.5Å; D164-K166 VanDerWaalsContact O-N 3.09Å; D164-K166 WeakPolarHBondContact OD1-CB 3.48Å; D164-K166 VanDerWaalsContact OD1-CG 3.31Å; D164-K166 WeakPolarHBondContact OD1-CG 3.44Å; D164-K166 PolarHBondContact OD1-N 3.15Å; K166-Y168 VanDerWaalsContact C-N 3.26Å; K166-Y168 PolarHBondContact O-N 3.23Å
167	E	92	Very high	93.2	Very high	49 Å²	49	42.7 Å²	42.7	23%	0.229	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-85.3	8.5	179.9	-61.7	-72.5	-175.4	0	0	113.3	K134 T162 D164 R165 N169 T170 S171	K134-E167 HydrophobicContact CD-CG 4.48Å; K134-E167 WeakPolarHBondContact CD-OE2 3.22Å; K134-E167 IonicContact NZ-OE1 3.06Å; K134-E167 PolarHBondContact NZ-OE1 3.09Å; K134-E167 IonicContact NZ-OE2 2.64Å; K134-E167 PolarHBondContact NZ-OE2 2.84Å; T162-E167 HydrophobicContact CG2-CB 4.02Å; T162-E167 HydrophobicContact CG2-CG 4.3Å; D164-E167 HydrophobicContact CB-CG 4.28Å; D164-E167 WeakPolarHBondContact O-CB 3.27Å; D164-E167 PolarHBondContact O-N 3.15Å; R165-E167 PolarHBondContact O-N 3.23Å; E167-N169 VanDerWaalsContact C-N 3.35Å; E167-N169 PolarHBondContact O-N 2.75Å; E167-T170 WeakPolarHBondContact CA-OG1 3.49Å; E167-T170 PolarHBondContact O-N 3.48Å; E167-T170 PolarHBondContact O-OG1 2.87Å; E167-T170 PolarHBondContact OE2-OG1 2.7Å; E167-S171 VanDerWaalsContact O-CB 3.31Å; E167-S171 WeakPolarHBondContact O-CB 3.41Å; E167-S171 PolarHBondContact O-N 3.33Å; E167-S171 PolarHBondContact O-OG 2.79Å
168	Y	92.9	Very high	93.3	Very high	33 Å²	33	42 Å²	42	13%	0.129	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58.4	-41.7	-177.8	174.5	-106.2	0	0	0	113.6	L136 W138 R165 K166 V174 P187 K189 L191 M194 Y196	L136-Y168 HydrophobicContact CD2-CD2 3.99Å; L136-Y168 HydrophobicContact CD2-CG 4.44Å; W138-Y168 AromaticContact CE3-CD2 4Å; W138-Y168 HydrophobicContact CE3-CD2 4Å; W138-Y168 HydrophobicContact CE3-CE2 4.27Å; W138-Y168 AromaticContact CZ3-CD2 3.46Å; W138-Y168 HydrophobicContact CZ3-CD2 3.46Å; W138-Y168 VanDerWaalsContact CZ3-CD2 3.46Å; W138-Y168 AromaticContact CZ3-CE2 3.79Å; W138-Y168 HydrophobicContact CZ3-CE2 3.79Å; W138-Y168 HydrophobicContact CZ3-CG 4.13Å; R165-Y168 WeakPolarHBondContact O-CB 3.24Å; R165-Y168 PolarHBondContact O-N 2.6Å; K166-Y168 VanDerWaalsContact C-N 3.26Å; K166-Y168 PolarHBondContact O-N 3.23Å; Y168-V174 HydrophobicContact CD2-CG2 4.07Å; Y168-V174 HydrophobicContact CE2-CG2 4.1Å; Y168-P187 HydrophobicContact CE2-CB 3.92Å; Y168-P187 HydrophobicContact CE2-CG 4.11Å; Y168-P187 WeakPolarHBondContact OH-CB 3.49Å; Y168-K189 PolarHBondContact OH-O 2.93Å; Y168-L191 HydrophobicContact CD1-CD1 4.12Å; Y168-L191 HydrophobicContact CE1-CD1 3.69Å; Y168-L191 HydrophobicContact CE1-CG 3.94Å; Y168-M194 HydrophobicContact CD1-CE 4.5Å; Y168-M194 HydrophobicContact CD2-CE 3.66Å; Y168-M194 HydrophobicContact CE1-CE 4.06Å; Y168-M194 HydrophobicContact CE2-CE 3.15Å; Y168-M194 HydrophobicContact CG-CE 4.33Å; Y168-Y196 HydrophobicContact CE2-CE1 4.35Å; Y168-Y196 PolarHBondContact OH-OH 3.07Å
169	N	88.7	Confident	93.1	Very high	112 Å²	112	45.6 Å²	45.6	60%	0.599	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-79.5	-18.6	-177.7	-67.9	-25.1	0	0	0	113.5	E167 L191	E167-N169 VanDerWaalsContact C-N 3.35Å; E167-N169 PolarHBondContact O-N 2.75Å; N169-L191 WeakPolarHBondContact OD1-CD1 3.23Å
170	T	89	Confident	92.8	Very high	90 Å²	90	48 Å²	48	55%	0.552	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-11.1	-177.4	48.2	0	0	0	0	112.3	E167	E167-T170 WeakPolarHBondContact CA-OG1 3.49Å; E167-T170 PolarHBondContact O-N 3.48Å; E167-T170 PolarHBondContact O-OG1 2.87Å; E167-T170 PolarHBondContact OE2-OG1 2.7Å
171	S	92.5	Very high	92.4	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.014	22%	0.221	C	C	.	.			trans	-79	143	-178.6	-66.8	0	0	0	0	112.9	E167	E167-S171 VanDerWaalsContact O-CB 3.31Å; E167-S171 WeakPolarHBondContact O-CB 3.41Å; E167-S171 PolarHBondContact O-N 3.33Å; E167-S171 PolarHBondContact O-OG 2.79Å
172	K	91.7	Very high	91.8	Very high	43 Å²	43	50.1 Å²	50.1	19%	0.187	24%	0.242	C	C	.	.	S	Bend	trans	-80	-24.3	174.9	-106.6	-84.3	-173.2	167	0	112.6	F133 K134 M194 H195	F133-K172 HydrophobicContact CB-CB 4.32Å; F133-K172 HydrophobicContact CB-CG 4.41Å; F133-K172 HydrophobicContact CD1-CG 3.89Å; F133-K172 HydrophobicContact CG-CG 4.48Å; K134-K172 PolarHBondContact O-N 3.48Å; K172-M194 WeakPolarHBondContact O-CA 3.38Å; K172-M194 WeakPolarHBondContact O-CB 3.37Å; K172-H195 PolarHBondContact O-N 3.34Å; K172-H195 VanDerWaalsContact O-N 3.14Å
173	A	95.2	Very high	90.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	157.5	175.6	0	0	0	0	0	112.4	K134 I135 L136 H195 I197 L418	K134-A173 PolarHBondContact O-N 2.88Å; I135-A173 WeakPolarHBondContact CA-O 3.38Å; L136-A173 PolarHBondContact N-O 3.46Å; A173-H195 CarbonylContact C-O 3.54Å; A173-H195 WeakPolarHBondContact CA-O 3.38Å; A173-H195 HydrophobicContact CB-CB 4.01Å; A173-I197 HydrophobicContact CB-CD1 3.71Å; A173-I197 HydrophobicContact CB-CG1 4.43Å; A173-L418 HydrophobicContact CB-CD1 3.71Å; A173-L418 HydrophobicContact CB-CD2 3.79Å; A173-L418 HydrophobicContact CB-CG 4.42Å
174	V	95.7	Very high	90.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.6	177	-171.2	0	0	0	0	109.1	L136 W138 Y168 F176 M194 H195 Y196 I197	L136-V174 HydrophobicContact CB-CG1 4.48Å; L136-V174 HydrophobicContact CB-CG2 4.39Å; L136-V174 HydrophobicContact CD2-CG1 4.4Å; L136-V174 HydrophobicContact CG-CG1 4.41Å; L136-V174 CarbonylContact O-C 3.59Å; L136-V174 VanDerWaalsContact O-CA 3.29Å; L136-V174 WeakPolarHBondContact O-CA 3.47Å; W138-V174 HydrophobicContact CB-CG1 3.57Å; W138-V174 HydrophobicContact CD2-CG1 4.27Å; W138-V174 HydrophobicContact CE3-CG1 3.83Å; W138-V174 HydrophobicContact CG-CG1 4.22Å; Y168-V174 HydrophobicContact CD2-CG2 4.07Å; Y168-V174 HydrophobicContact CE2-CG2 4.1Å; V174-F176 HydrophobicContact CB-CE2 3.74Å; V174-F176 HydrophobicContact CB-CZ 4.28Å; V174-F176 HydrophobicContact CG1-CD2 4.15Å; V174-F176 HydrophobicContact CG1-CE1 4.46Å; V174-F176 HydrophobicContact CG1-CE2 3.29Å; V174-F176 HydrophobicContact CG1-CZ 3.47Å; V174-F176 VanDerWaalsContact CG1-CZ 3.47Å; V174-M194 HydrophobicContact CG2-CE 3.5Å; V174-M194 VanDerWaalsContact CG2-CE 3.5Å; V174-M194 HydrophobicContact CG2-SD 3.75Å; V174-H195 PolarHBondContact N-O 3.39Å; V174-Y196 HydrophobicContact CB-CD1 4.43Å; V174-I197 PolarHBondContact O-N 3.19Å
175	L	96.1	Very high	89.7	Confident	1 Å²	1	58.7 Å²	58.7	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	127.7	-176.2	-168.5	78.2	0	0	0	110.4	I135 L136 W138 F146 I161 I197 F199 M221 F411	I135-L175 HydrophobicContact CG2-CB 4.34Å; L136-L175 PolarHBondContact O-N 3.29Å; W138-L175 WeakPolarHBondContact CB-O 3.1Å; W138-L175 PolarHBondContact N-O 3.18Å; F146-L175 HydrophobicContact CE1-CD2 4.11Å; F146-L175 HydrophobicContact CE2-CD2 3.93Å; F146-L175 HydrophobicContact CZ-CD2 3.64Å; I161-L175 HydrophobicContact CD1-CD2 4.43Å; L175-I197 HydrophobicContact CD1-CB 3.85Å; L175-I197 HydrophobicContact CD1-CD1 4.18Å; L175-I197 HydrophobicContact CD1-CG2 3.68Å; L175-F199 HydrophobicContact CD1-CB 3.5Å; L175-F199 HydrophobicContact CD1-CD2 4.09Å; L175-F199 HydrophobicContact CD1-CG 3.96Å; L175-F199 HydrophobicContact CD2-CB 4.42Å; L175-F199 HydrophobicContact CD2-CD1 4.39Å; L175-F199 HydrophobicContact CD2-CD2 4.35Å; L175-F199 HydrophobicContact CD2-CG 4.16Å; L175-F199 HydrophobicContact CG-CB 3.79Å; L175-F199 HydrophobicContact CG-CG 4.08Å; L175-M221 HydrophobicContact CD1-SD 4.32Å; L175-F411 HydrophobicContact CD2-CE1 3.98Å; L175-F411 HydrophobicContact CD2-CZ 3.87Å
176	F	94.1	Very high	89.2	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.6	177	-58.6	-106	0	0	0	110.6	W138 V174 P178 I181 M186 P187 Y196 I197 F199 F216 F217	W138-F176 HydrophobicContact CB-CD1 3.73Å; W138-F176 HydrophobicContact CB-CD2 4.43Å; W138-F176 HydrophobicContact CB-CE1 3.55Å; W138-F176 HydrophobicContact CB-CE2 4.27Å; W138-F176 HydrophobicContact CB-CG 4.17Å; W138-F176 HydrophobicContact CB-CZ 3.82Å; W138-F176 AromaticContact CD1-CD1 3.58Å; W138-F176 AromaticContact CD1-CE1 3.25Å; W138-F176 AromaticContact CD2-CE1 3.72Å; W138-F176 HydrophobicContact CD2-CE1 3.72Å; W138-F176 AromaticContact CD2-CZ 3.95Å; W138-F176 HydrophobicContact CD2-CZ 3.95Å; W138-F176 HydrophobicContact CE3-CZ 4.41Å; W138-F176 AromaticContact CG-CD1 3.68Å; W138-F176 HydrophobicContact CG-CD1 3.68Å; W138-F176 AromaticContact CG-CE1 3.16Å; W138-F176 HydrophobicContact CG-CE1 3.16Å; W138-F176 AromaticContact CG-CZ 3.67Å; W138-F176 HydrophobicContact CG-CZ 3.67Å; W138-F176 AromaticContact NE1-CE1 3.83Å; V174-F176 HydrophobicContact CB-CE2 3.74Å; V174-F176 HydrophobicContact CB-CZ 4.28Å; V174-F176 HydrophobicContact CG1-CD2 4.15Å; V174-F176 HydrophobicContact CG1-CE1 4.46Å; V174-F176 HydrophobicContact CG1-CE2 3.29Å; V174-F176 HydrophobicContact CG1-CZ 3.47Å; V174-F176 VanDerWaalsContact CG1-CZ 3.47Å; F176-P178 WeakPolarHBondContact O-CD 3.34Å; F176-I181 HydrophobicContact CB-CD1 4.06Å; F176-I181 HydrophobicContact CB-CG1 4.39Å; F176-I181 HydrophobicContact CD1-CD1 4.38Å; F176-I181 HydrophobicContact CD1-CG1 4.47Å; F176-M186 HydrophobicContact CD1-CE 4.29Å; F176-M186 HydrophobicContact CD1-SD 3.69Å; F176-M186 HydrophobicContact CE1-CE 4.11Å; F176-M186 HydrophobicContact CE1-SD 3.54Å; F176-M186 VanDerWaalsContact CE1-SD 3.54Å; F176-P187 HydrophobicContact CE1-CG 4.39Å; F176-P187 HydrophobicContact CZ-CG 4Å; F176-Y196 AromaticContact CE2-CD1 3.61Å; F176-Y196 HydrophobicContact CE2-CD1 3.61Å; F176-Y196 HydrophobicContact CE2-CE1 4.37Å; F176-Y196 HydrophobicContact CE2-CG 4.44Å; F176-Y196 AromaticContact CZ-CD1 3.93Å; F176-Y196 HydrophobicContact CZ-CD1 3.93Å; F176-Y196 HydrophobicContact CZ-CE1 4.34Å; F176-I197 PolarHBondContact N-O 2.77Å; F176-F199 WeakPolarHBondContact O-CA 3.42Å; F176-F199 WeakPolarHBondContact O-CB 3.14Å; F176-F199 PolarHBondContact O-N 2.94Å; F176-F216 HydrophobicContact CD1-CE1 4.4Å; F176-F216 HydrophobicContact CD2-CE1 4.14Å; F176-F216 AromaticContact CE1-CE1 3.95Å; F176-F216 HydrophobicContact CE1-CE1 3.95Å; F176-F216 HydrophobicContact CE1-CZ 4.1Å; F176-F216 AromaticContact CE2-CE1 3.67Å; F176-F216 HydrophobicContact CE2-CE1 3.67Å; F176-F216 HydrophobicContact CE2-CZ 4.1Å; F176-F216 HydrophobicContact CG-CE1 4.5Å; F176-F216 AromaticContact CZ-CE1 3.58Å; F176-F216 HydrophobicContact CZ-CE1 3.58Å; F176-F216 AromaticContact CZ-CZ 3.63Å; F176-F216 HydrophobicContact CZ-CZ 3.63Å; F176-F217 HydrophobicContact CB-CE1 3.73Å; F176-F217 HydrophobicContact CB-CZ 4.1Å; F176-F217 HydrophobicContact CD2-CD1 4.48Å; F176-F217 AromaticContact CD2-CE1 3.73Å; F176-F217 HydrophobicContact CD2-CE1 3.73Å; F176-F217 AromaticContact CG-CE1 3.84Å; F176-F217 HydrophobicContact CG-CE1 3.84Å; F176-F217 HydrophobicContact CG-CZ 4.4Å
177	H	93.1	Very high	88.6	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	25%	0.247	C	C	.	.			trans	-96	104.2	168.3	-175.6	-132.3	0	0	0	109.5	T139 F141 F142 R179 D180 I181 F199	T139-H177 WeakPolarHBondContact OG1-CA 3.37Å; T139-H177 VanDerWaalsContact OG1-CB 3.31Å; T139-H177 WeakPolarHBondContact OG1-CB 3.44Å; T139-H177 PolarHBondContact OG1-N 2.62Å; F141-H177 AromaticContact CD2-CD2 3.88Å; F141-H177 AromaticContact CD2-CE1 3.68Å; F141-H177 AromaticContact CD2-CG 3.93Å; F141-H177 AromaticContact CD2-ND1 3.82Å; F141-H177 AromaticContact CD2-NE2 3.77Å; F141-H177 AromaticContact CE2-CE1 3.99Å; F141-H177 AromaticContact CE2-NE2 3.71Å; F142-H177 AromaticContact CD1-CE1 3.91Å; F142-H177 AromaticContact CE1-CE1 3.91Å; H177-R179 PolarHBondContact O-N 3.3Å; H177-D180 IonicContact CE1-OD2 3.94Å; H177-D180 PolarHBondContact CE1-OD2 3.32Å; H177-D180 IonicContact CG-OD2 2.74Å; H177-D180 IonicContact ND1-OD2 3.82Å; H177-D180 PolarHBondContact ND1-OD2 2.96Å; H177-D180 PolarHBondContact O-N 3.28Å; H177-I181 PolarHBondContact O-N 3.47Å; H177-F199 WeakPolarHBondContact CA-O 3.42Å; H177-F199 HydrophobicContact CB-CD1 4.05Å; H177-F199 PolarHBondContact CD2-O 3.22Å
178	P	88.7	Confident	87.6	Confident	6 Å²	6	50 Å²	50	4%	0.039	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.4	-172.1	-28.1	32.9	0	0	0	116.3	F176 D180 I181 F198 F199 L200 V207 T212	F176-P178 WeakPolarHBondContact O-CD 3.34Å; P178-D180 VanDerWaalsContact C-N 3.3Å; P178-I181 HydrophobicContact CB-CD1 4.4Å; P178-F198 HydrophobicContact CB-CE2 4.01Å; P178-F198 HydrophobicContact CG-CD2 3.48Å; P178-F198 VanDerWaalsContact CG-CD2 3.48Å; P178-F198 HydrophobicContact CG-CE1 4.47Å; P178-F198 HydrophobicContact CG-CE2 3.09Å; P178-F198 HydrophobicContact CG-CG 4.33Å; P178-F198 HydrophobicContact CG-CZ 3.66Å; P178-F199 WeakPolarHBondContact CD-O 3.39Å; P178-L200 HydrophobicContact CG-CB 4.38Å; P178-L200 HydrophobicContact CG-CD1 4.4Å; P178-L200 HydrophobicContact CG-CD2 4.45Å; P178-V207 HydrophobicContact CB-CG2 3.84Å; P178-T212 HydrophobicContact CB-CG2 4.1Å; P178-T212 HydrophobicContact CG-CG2 4.46Å
179	R	86.2	Confident	86.8	Confident	126 Å²	126	56.4 Å²	56.4	48%	0.475	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-26.5	177.6	-171.9	171.7	-179.8	158.6	-2.8	112.8	H177 E202	H177-R179 PolarHBondContact O-N 3.3Å; R179-E202 VanDerWaalsContact NH1-CD 3.35Å; R179-E202 IonicContact NH1-OE1 2.67Å; R179-E202 PolarHBondContact NH1-OE1 3.48Å
180	D	88.6	Confident	86.6	Confident	52 Å²	52	55.1 Å²	55.1	28%	0.278	29%	0.291	S	S	.	.	S	Bend	trans	-103.6	5	179.7	-64.5	-52.2	0	0	0	112.1	T139 P140 F142 H177 P178 N182	T139-D180 HydrophobicContact CG2-CB 4.48Å; P140-D180 HydrophobicContact CG-CB 4.26Å; P140-D180 VanDerWaalsContact O-OD2 3.06Å; F142-D180 WeakPolarHBondContact CA-OD2 3.47Å; F142-D180 PolarHBondContact N-OD2 3.34Å; H177-D180 IonicContact CE1-OD2 3.94Å; H177-D180 PolarHBondContact CE1-OD2 3.32Å; H177-D180 IonicContact CG-OD2 2.74Å; H177-D180 IonicContact ND1-OD2 3.82Å; H177-D180 PolarHBondContact ND1-OD2 2.96Å; H177-D180 PolarHBondContact O-N 3.28Å; P178-D180 VanDerWaalsContact C-N 3.3Å; D180-N182 PolarHBondContact O-N 3.27Å
181	I	86.8	Confident	86.6	Confident	14 Å²	14	53.1 Å²	53.1	7%	0.072	28%	0.277	C	S	.	.			trans	-68.9	121.9	175.2	-70.9	179.1	0	0	0	110	T139 F176 H177 P178 M186 T212 F217	T139-I181 HydrophobicContact CG2-CG1 4.09Å; F176-I181 HydrophobicContact CB-CD1 4.06Å; F176-I181 HydrophobicContact CB-CG1 4.39Å; F176-I181 HydrophobicContact CD1-CD1 4.38Å; F176-I181 HydrophobicContact CD1-CG1 4.47Å; H177-I181 PolarHBondContact O-N 3.47Å; P178-I181 HydrophobicContact CB-CD1 4.4Å; I181-M186 HydrophobicContact CD1-SD 4.23Å; I181-M186 HydrophobicContact CG1-SD 4.39Å; I181-M186 HydrophobicContact CG2-CG 3.91Å; I181-M186 HydrophobicContact CG2-SD 3.79Å; I181-T212 HydrophobicContact CD1-CG2 4.31Å; I181-F217 HydrophobicContact CD1-CZ 4.1Å
182	N	83.1	Confident	86.2	Confident	94 Å²	94	56.4 Å²	56.4	50%	0.503	30%	0.3	S	S	.	.			trans	-96.8	116.8	160	-179.8	-4	0	0	0	109	D180 K184 D185 M186	D180-N182 PolarHBondContact O-N 3.27Å; N182-K184 PolarHBondContact O-N 3.13Å; N182-K184 PolarHBondContact OD1-N 3.23Å; N182-K184 VanDerWaalsContact OD1-N 3.09Å; N182-D185 HydrophobicContact CB-CB 4.13Å; N182-D185 CarbonylContact O-C 3.48Å; N182-D185 PolarHBondContact O-N 3.01Å; N182-M186 PolarHBondContact O-N 3.16Å
183	A	77.3	Confident	85.8	Confident	65 Å²	65	58.6 Å²	58.6	54%	0.537	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-58.1	-25	-178.2	0	0	0	0	0	113.7	D185	A183-D185 VanDerWaalsContact C-N 3.34Å
184	K	80.8	Confident	85.6	Confident	201 Å²	201	58.6 Å²	58.6	87%	0.874	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-77.5	-19.5	176	-63.5	-177.1	179.8	179.5	0	113.5	N182	N182-K184 PolarHBondContact O-N 3.13Å; N182-K184 PolarHBondContact OD1-N 3.23Å; N182-K184 VanDerWaalsContact OD1-N 3.09Å
185	D	85	Confident	85.5	Confident	76 Å²	76	59.6 Å²	59.6	41%	0.406	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-105.6	20.8	179.8	-172.7	40.4	0	0	0	111.2	W138 R165 N182 A183	W138-D185 WeakPolarHBondContact CZ2-O 3.29Å; W138-D185 PolarHBondContact NE1-O 2.87Å; R165-D185 IonicContact CZ-OD2 2.81Å; R165-D185 IonicContact NH2-OD2 3.69Å; R165-D185 PolarHBondContact NH2-OD2 3.36Å; N182-D185 HydrophobicContact CB-CB 4.13Å; N182-D185 CarbonylContact O-C 3.48Å; N182-D185 PolarHBondContact O-N 3.01Å; A183-D185 VanDerWaalsContact C-N 3.34Å
186	M	83.3	Confident	85.4	Confident	37 Å²	37	59.5 Å²	59.5	18%	0.182	32%	0.315	C	S	.	.	S	Bend	trans	-86.1	140.4	174.8	-76.5	-73.8	-77.7	0	0	110.1	F176 I181 N182 G188 F216	F176-M186 HydrophobicContact CD1-CE 4.29Å; F176-M186 HydrophobicContact CD1-SD 3.69Å; F176-M186 HydrophobicContact CE1-CE 4.11Å; F176-M186 HydrophobicContact CE1-SD 3.54Å; F176-M186 VanDerWaalsContact CE1-SD 3.54Å; I181-M186 HydrophobicContact CD1-SD 4.23Å; I181-M186 HydrophobicContact CG1-SD 4.39Å; I181-M186 HydrophobicContact CG2-CG 3.91Å; I181-M186 HydrophobicContact CG2-SD 3.79Å; N182-M186 PolarHBondContact O-N 3.16Å; M186-G188 PolarHBondContact O-N 2.83Å; M186-F216 HydrophobicContact CE-CD1 3.58Å; M186-F216 HydrophobicContact CE-CD2 4.27Å; M186-F216 HydrophobicContact CE-CE1 3.25Å; M186-F216 HydrophobicContact CE-CE2 3.99Å; M186-F216 HydrophobicContact CE-CG 4.07Å; M186-F216 HydrophobicContact CE-CZ 3.47Å; M186-F216 VanDerWaalsContact CE-CZ 3.47Å; M186-F216 HydrophobicContact SD-CE1 4.48Å
187	P	79.4	Confident	85.5	Confident	16 Å²	16	59.5 Å²	59.5	10%	0.104	32%	0.315	C	S	.	.			trans	-66	134	175.5	27.3	-29.7	0	0	0	109.3	W138 Y168 F176 Y196 F216	W138-P187 HydrophobicContact CD2-CG 4.43Å; W138-P187 HydrophobicContact CE3-CG 4.36Å; W138-P187 HydrophobicContact CH2-CB 3.88Å; W138-P187 HydrophobicContact CH2-CG 4.11Å; W138-P187 HydrophobicContact CZ2-CB 4.25Å; W138-P187 HydrophobicContact CZ2-CG 4.19Å; W138-P187 HydrophobicContact CZ3-CB 4.21Å; W138-P187 HydrophobicContact CZ3-CG 4.2Å; Y168-P187 HydrophobicContact CE2-CB 3.92Å; Y168-P187 HydrophobicContact CE2-CG 4.11Å; Y168-P187 WeakPolarHBondContact OH-CB 3.49Å; F176-P187 HydrophobicContact CE1-CG 4.39Å; F176-P187 HydrophobicContact CZ-CG 4Å; P187-Y196 HydrophobicContact CG-CE1 4.11Å; P187-F216 HydrophobicContact CG-CE2 4.21Å; P187-F216 HydrophobicContact CG-CZ 3.78Å
188	G	71.7	Confident	85.5	Confident	82 Å²	82	59.5 Å²	59.5	85%	0.845	32%	0.315	S	S	*	.	S	Bend	trans	-64.3	-46.5	-167.7	0	0	0	0	0	114.8	M186	M186-G188 PolarHBondContact O-N 2.83Å
189	K	76.2	Confident	85.9	Confident	166 Å²	166	59.2 Å²	59.2	72%	0.722	31%	0.313	S	S	*	.	S	Bend	trans	-128.8	146.3	175.4	-78.7	-173.7	-180	176.6	0	110.6	Y168	Y168-K189 PolarHBondContact OH-O 2.93Å
190	R	85	Confident	86.2	Confident	85 Å²	85	53.2 Å²	53.2	32%	0.321	29%	0.291	S	S	.	.			trans	-67.8	131.2	174.9	-61.8	-170.6	-58.5	117.5	-6.5	110.4	Y196 F216	R190-Y196 VanDerWaalsContact CA-OH 3.22Å; R190-Y196 WeakPolarHBondContact CA-OH 3.32Å; R190-Y196 HydrophobicContact CB-CD2 4.1Å; R190-Y196 HydrophobicContact CB-CE2 3.52Å; R190-Y196 HydrophobicContact CG-CD1 4.35Å; R190-Y196 HydrophobicContact CG-CD2 3.89Å; R190-Y196 HydrophobicContact CG-CE1 4.19Å; R190-Y196 HydrophobicContact CG-CE2 3.71Å; R190-Y196 HydrophobicContact CG-CG 4.21Å; R190-F216 WeakPolarHBondContact CD-O 3.48Å; R190-F216 HydrophobicContact CG-CD2 4.08Å; R190-F216 HydrophobicContact CG-CE2 4.13Å
191	L	87.8	Confident	86.4	Confident	48 Å²	48	51 Å²	51	25%	0.251	28%	0.279	S	S	.	.			trans	-71.6	128.8	161.5	-57.2	-178.7	0	0	0	107.2	Y168 N169 H193 M194 Y196	Y168-L191 HydrophobicContact CD1-CD1 4.12Å; Y168-L191 HydrophobicContact CE1-CD1 3.69Å; Y168-L191 HydrophobicContact CE1-CG 3.94Å; N169-L191 WeakPolarHBondContact OD1-CD1 3.23Å; L191-H193 PolarHBondContact O-N 2.87Å; L191-M194 HydrophobicContact CB-CE 3.94Å; L191-M194 HydrophobicContact CB-CG 4.13Å; L191-M194 HydrophobicContact CB-SD 4.33Å; L191-M194 HydrophobicContact CD1-CE 3.75Å; L191-M194 HydrophobicContact CD1-SD 4.23Å; L191-M194 HydrophobicContact CG-CE 3.91Å; L191-Y196 PolarHBondContact N-OH 3.42Å
192	S	84.7	Confident	86.6	Confident	72 Å²	72	51.5 Å²	51.5	50%	0.503	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-19.3	-169.2	55.2	0	0	0	0	113.7	T425 V426	S192-T425 CarbonylContact O-C 3.37Å; S192-T425 VanDerWaalsContact O-CA 3.31Å; S192-T425 WeakPolarHBondContact O-CA 3.16Å; S192-V426 PolarHBondContact O-N 3.27Å
193	H	83.7	Confident	87	Confident	88 Å²	88	47 Å²	47	41%	0.407	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	2.1	-173.2	63.7	-92.5	0	0	0	114.6	L191 G424	L191-H193 PolarHBondContact O-N 2.87Å; H193-G424 WeakPolarHBondContact CA-O 3.25Å
194	M	89.9	Confident	87.5	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.233	C	C	.	.	S	Bend	trans	-132	155.1	-175.9	71.8	-179.3	-176.3	0	0	113.6	Y168 K172 V174 L191 Y196	Y168-M194 HydrophobicContact CD1-CE 4.5Å; Y168-M194 HydrophobicContact CD2-CE 3.66Å; Y168-M194 HydrophobicContact CE1-CE 4.06Å; Y168-M194 HydrophobicContact CE2-CE 3.15Å; Y168-M194 HydrophobicContact CG-CE 4.33Å; K172-M194 WeakPolarHBondContact O-CA 3.38Å; K172-M194 WeakPolarHBondContact O-CB 3.37Å; V174-M194 HydrophobicContact CG2-CE 3.5Å; V174-M194 VanDerWaalsContact CG2-CE 3.5Å; V174-M194 HydrophobicContact CG2-SD 3.75Å; L191-M194 HydrophobicContact CB-CE 3.94Å; L191-M194 HydrophobicContact CB-CG 4.13Å; L191-M194 HydrophobicContact CB-SD 4.33Å; L191-M194 HydrophobicContact CD1-CE 3.75Å; L191-M194 HydrophobicContact CD1-SD 4.23Å; L191-M194 HydrophobicContact CG-CE 3.91Å; M194-Y196 HydrophobicContact CE-CE1 4.17Å; M194-Y196 HydrophobicContact CE-CE2 3.99Å; M194-Y196 VanDerWaalsContact CE-CZ 3.45Å; M194-Y196 WeakPolarHBondContact CE-OH 3.4Å; M194-Y196 HydrophobicContact CG-CE2 3.79Å
195	H	93.7	Very high	87.7	Confident	20 Å²	20	36.9 Å²	36.9	9%	0.093	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	138.3	178.9	-72.5	-82.1	0	0	0	112.2	K172 A173 V174 I197 T218 L219 L418 V426	K172-H195 PolarHBondContact O-N 3.34Å; K172-H195 VanDerWaalsContact O-N 3.14Å; A173-H195 CarbonylContact C-O 3.54Å; A173-H195 WeakPolarHBondContact CA-O 3.38Å; A173-H195 HydrophobicContact CB-CB 4.01Å; V174-H195 PolarHBondContact N-O 3.39Å; H195-I197 HydrophobicContact CB-CG1 4.3Å; H195-T218 VanDerWaalsContact CA-OG1 3.25Å; H195-T218 WeakPolarHBondContact CA-OG1 3.45Å; H195-T218 WeakPolarHBondContact CB-OG1 3.44Å; H195-T218 PolarHBondContact ND1-OG1 2.92Å; H195-L219 HydrophobicContact CB-CD1 4.07Å; H195-L219 HydrophobicContact CB-CG 4.5Å; H195-L219 WeakPolarHBondContact ND1-CD1 3.24Å; H195-L219 WeakPolarHBondContact ND1-CG 3.17Å; H195-L418 HydrophobicContact CB-CD2 4.19Å; H195-L418 VanDerWaalsContact CD2-CD2 3.46Å; H195-L418 WeakPolarHBondContact CD2-CD2 3.35Å; H195-V426 WeakPolarHBondContact CE1-CG1 3.34Å; H195-V426 WeakPolarHBondContact ND1-CG1 3.5Å
196	Y	94.1	Very high	87.6	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	110.6	170.5	-69.4	-103.5	0	0	0	108.1	Y168 V174 F176 P187 R190 L191 M194 F216 F217 T218 L219	Y168-Y196 HydrophobicContact CE2-CE1 4.35Å; Y168-Y196 PolarHBondContact OH-OH 3.07Å; V174-Y196 HydrophobicContact CB-CD1 4.43Å; F176-Y196 AromaticContact CE2-CD1 3.61Å; F176-Y196 HydrophobicContact CE2-CD1 3.61Å; F176-Y196 HydrophobicContact CE2-CE1 4.37Å; F176-Y196 HydrophobicContact CE2-CG 4.44Å; F176-Y196 AromaticContact CZ-CD1 3.93Å; F176-Y196 HydrophobicContact CZ-CD1 3.93Å; F176-Y196 HydrophobicContact CZ-CE1 4.34Å; P187-Y196 HydrophobicContact CG-CE1 4.11Å; R190-Y196 VanDerWaalsContact CA-OH 3.22Å; R190-Y196 WeakPolarHBondContact CA-OH 3.32Å; R190-Y196 HydrophobicContact CB-CD2 4.1Å; R190-Y196 HydrophobicContact CB-CE2 3.52Å; R190-Y196 HydrophobicContact CG-CD1 4.35Å; R190-Y196 HydrophobicContact CG-CD2 3.89Å; R190-Y196 HydrophobicContact CG-CE1 4.19Å; R190-Y196 HydrophobicContact CG-CE2 3.71Å; R190-Y196 HydrophobicContact CG-CG 4.21Å; L191-Y196 PolarHBondContact N-OH 3.42Å; M194-Y196 HydrophobicContact CE-CE1 4.17Å; M194-Y196 HydrophobicContact CE-CE2 3.99Å; M194-Y196 VanDerWaalsContact CE-CZ 3.45Å; M194-Y196 WeakPolarHBondContact CE-OH 3.4Å; M194-Y196 HydrophobicContact CG-CE2 3.79Å; Y196-F216 WeakPolarHBondContact CB-O 3.39Å; Y196-F216 HydrophobicContact CD1-CD1 4.42Å; Y196-F216 AromaticContact CD1-CE1 3.57Å; Y196-F216 HydrophobicContact CD1-CE1 3.57Å; Y196-F216 HydrophobicContact CD1-CE2 4.03Å; Y196-F216 AromaticContact CD1-CZ 3.34Å; Y196-F216 HydrophobicContact CD1-CZ 3.34Å; Y196-F216 HydrophobicContact CE1-CE1 4.37Å; Y196-F216 HydrophobicContact CE1-CE2 4.14Å; Y196-F216 AromaticContact CE1-CZ 3.69Å; Y196-F216 HydrophobicContact CE1-CZ 3.69Å; Y196-F216 HydrophobicContact CG-CE1 4.31Å; Y196-F216 HydrophobicContact CG-CZ 4.35Å; Y196-F217 CarbonylContact O-C 3.47Å; Y196-F217 WeakPolarHBondContact O-CA 3.32Å; Y196-T218 PolarHBondContact N-OG1 3.35Å; Y196-T218 PolarHBondContact O-N 3.44Å; Y196-T218 PolarHBondContact O-OG1 3.17Å; Y196-L219 PolarHBondContact O-N 3.12Å
197	I	95.8	Very high	87.4	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.8	-166.5	-54.1	163.5	0	0	0	109.8	A173 V174 L175 F176 H195 F199 L219 M221 L414	A173-I197 HydrophobicContact CB-CD1 3.71Å; A173-I197 HydrophobicContact CB-CG1 4.43Å; V174-I197 PolarHBondContact O-N 3.19Å; L175-I197 HydrophobicContact CD1-CB 3.85Å; L175-I197 HydrophobicContact CD1-CD1 4.18Å; L175-I197 HydrophobicContact CD1-CG2 3.68Å; F176-I197 PolarHBondContact N-O 2.77Å; H195-I197 HydrophobicContact CB-CG1 4.3Å; I197-F199 PolarHBondContact O-N 2.83Å; I197-L219 WeakPolarHBondContact CA-O 3.29Å; I197-L219 HydrophobicContact CG1-CB 4.26Å; I197-M221 HydrophobicContact CG2-CB 3.77Å; I197-L414 HydrophobicContact CD1-CD1 3.52Å; I197-L414 HydrophobicContact CD1-CD2 3.71Å; I197-L414 HydrophobicContact CD1-CG 4.21Å; I197-L414 HydrophobicContact CG1-CD1 4.5Å
198	F	94.8	Very high	87.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	103.5	169.1	177.5	-92.5	0	0	0	109.4	P178 L200 L209 T212 F217 L219 T220 M221 T222 I435 Y439	P178-F198 HydrophobicContact CB-CE2 4.01Å; P178-F198 HydrophobicContact CG-CD2 3.48Å; P178-F198 VanDerWaalsContact CG-CD2 3.48Å; P178-F198 HydrophobicContact CG-CE1 4.47Å; P178-F198 HydrophobicContact CG-CE2 3.09Å; P178-F198 HydrophobicContact CG-CG 4.33Å; P178-F198 HydrophobicContact CG-CZ 3.66Å; F198-L200 HydrophobicContact CD1-CB 4.41Å; F198-L200 HydrophobicContact CE1-CB 3.76Å; F198-L200 HydrophobicContact CE1-CD2 4.05Å; F198-L200 HydrophobicContact CZ-CB 4.07Å; F198-L200 HydrophobicContact CZ-CD2 3.68Å; F198-L209 HydrophobicContact CE2-CD2 3.54Å; F198-L209 HydrophobicContact CZ-CD2 3.51Å; F198-T212 HydrophobicContact CE2-CG2 4.27Å; F198-F217 HydrophobicContact CB-CB 4.09Å; F198-F217 HydrophobicContact CB-CD1 3.78Å; F198-F217 HydrophobicContact CB-CD2 4.04Å; F198-F217 HydrophobicContact CB-CE1 4.19Å; F198-F217 HydrophobicContact CB-CE2 4.39Å; F198-F217 HydrophobicContact CB-CG 3.68Å; F198-F217 HydrophobicContact CB-CZ 4.46Å; F198-F217 AromaticContact CD2-CD2 3.97Å; F198-F217 HydrophobicContact CD2-CD2 3.97Å; F198-F217 AromaticContact CD2-CE2 3.72Å; F198-F217 HydrophobicContact CD2-CE2 3.72Å; F198-F217 HydrophobicContact CD2-CG 4.46Å; F198-F217 HydrophobicContact CD2-CZ 4.07Å; F198-F217 HydrophobicContact CG-CD2 4.48Å; F198-L219 PolarHBondContact N-O 2.92Å; F198-T220 HydrophobicContact CB-CG2 4.37Å; F198-M221 PolarHBondContact O-N 3.18Å; F198-T222 HydrophobicContact CD1-CG2 3.77Å; F198-T222 HydrophobicContact CE1-CG2 3.79Å; F198-I435 HydrophobicContact CB-CD1 3.31Å; F198-I435 HydrophobicContact CD1-CD1 3.98Å; F198-I435 HydrophobicContact CD1-CG2 4.19Å; F198-I435 HydrophobicContact CD2-CD1 3.48Å; F198-I435 VanDerWaalsContact CD2-CD1 3.48Å; F198-I435 HydrophobicContact CD2-CG2 3.86Å; F198-I435 HydrophobicContact CE1-CG2 3.91Å; F198-I435 HydrophobicContact CE2-CD1 4.21Å; F198-I435 HydrophobicContact CE2-CG2 3.5Å; F198-I435 HydrophobicContact CG-CD1 3.33Å; F198-I435 HydrophobicContact CG-CG2 4.18Å; F198-I435 HydrophobicContact CZ-CG2 3.55Å; F198-Y439 HydrophobicContact CE1-CD2 4.29Å; F198-Y439 HydrophobicContact CE1-CE2 4.44Å; F198-Y439 HydrophobicContact CE1-CG 4.3Å
199	F	95.4	Very high	87.2	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.8	-177.1	168	-96.2	0	0	0	110.6	F141 F146 L175 F176 H177 P178 I197 M221 M231 F411	F141-F199 HydrophobicContact CB-CE1 4.31Å; F141-F199 HydrophobicContact CD1-CE1 4.23Å; F141-F199 HydrophobicContact CD1-CZ 4.23Å; F141-F199 HydrophobicContact CD2-CD1 4.46Å; F141-F199 AromaticContact CD2-CE1 3.48Å; F141-F199 HydrophobicContact CD2-CE1 3.48Å; F141-F199 VanDerWaalsContact CD2-CE1 3.48Å; F141-F199 HydrophobicContact CD2-CZ 4.18Å; F141-F199 HydrophobicContact CE1-CE1 4.43Å; F141-F199 HydrophobicContact CE1-CZ 4.19Å; F141-F199 AromaticContact CE2-CE1 3.69Å; F141-F199 HydrophobicContact CE2-CE1 3.69Å; F141-F199 HydrophobicContact CE2-CZ 4.11Å; F141-F199 AromaticContact CG-CE1 3.77Å; F141-F199 HydrophobicContact CG-CE1 3.77Å; F141-F199 HydrophobicContact CG-CZ 4.24Å; F141-F199 HydrophobicContact CZ-CE1 4.18Å; F141-F199 HydrophobicContact CZ-CZ 4.14Å; F146-F199 HydrophobicContact CE1-CE1 4.48Å; F146-F199 HydrophobicContact CE1-CZ 4.27Å; F146-F199 HydrophobicContact CZ-CD1 4.34Å; F146-F199 AromaticContact CZ-CE1 3.73Å; F146-F199 HydrophobicContact CZ-CE1 3.73Å; F146-F199 AromaticContact CZ-CZ 3.95Å; F146-F199 HydrophobicContact CZ-CZ 3.95Å; L175-F199 HydrophobicContact CD1-CB 3.5Å; L175-F199 HydrophobicContact CD1-CD2 4.09Å; L175-F199 HydrophobicContact CD1-CG 3.96Å; L175-F199 HydrophobicContact CD2-CB 4.42Å; L175-F199 HydrophobicContact CD2-CD1 4.39Å; L175-F199 HydrophobicContact CD2-CD2 4.35Å; L175-F199 HydrophobicContact CD2-CG 4.16Å; L175-F199 HydrophobicContact CG-CB 3.79Å; L175-F199 HydrophobicContact CG-CG 4.08Å; F176-F199 WeakPolarHBondContact O-CA 3.42Å; F176-F199 WeakPolarHBondContact O-CB 3.14Å; F176-F199 PolarHBondContact O-N 2.94Å; H177-F199 WeakPolarHBondContact CA-O 3.42Å; H177-F199 HydrophobicContact CB-CD1 4.05Å; H177-F199 PolarHBondContact CD2-O 3.22Å; P178-F199 WeakPolarHBondContact CD-O 3.39Å; I197-F199 PolarHBondContact O-N 2.83Å; F199-M221 VanDerWaalsContact CA-O 3.29Å; F199-M221 WeakPolarHBondContact CA-O 3.39Å; F199-M221 HydrophobicContact CD2-CB 4.32Å; F199-M221 HydrophobicContact CD2-CE 4.18Å; F199-M221 HydrophobicContact CD2-CG 3.87Å; F199-M221 HydrophobicContact CD2-SD 3.88Å; F199-M221 HydrophobicContact CE2-CE 4.12Å; F199-M221 HydrophobicContact CE2-SD 4.42Å; F199-M231 HydrophobicContact CD2-CE 3.74Å; F199-M231 HydrophobicContact CD2-SD 4.42Å; F199-M231 HydrophobicContact CE2-CE 3.21Å; F199-M231 HydrophobicContact CE2-SD 3.6Å; F199-M231 HydrophobicContact CZ-CE 3.88Å; F199-M231 HydrophobicContact CZ-SD 4.37Å; F199-F411 HydrophobicContact CE2-CE2 4.17Å; F199-F411 HydrophobicContact CE2-CZ 4.13Å
200	L	93.6	Very high	86.7	Confident	0 Å²	0	33 Å²	33	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	128	-177.2	-171.1	65.3	0	0	0	112.8	P178 F198 E202 V207 M221 T222 Y439	P178-L200 HydrophobicContact CG-CB 4.38Å; P178-L200 HydrophobicContact CG-CD1 4.4Å; P178-L200 HydrophobicContact CG-CD2 4.45Å; F198-L200 HydrophobicContact CD1-CB 4.41Å; F198-L200 HydrophobicContact CE1-CB 3.76Å; F198-L200 HydrophobicContact CE1-CD2 4.05Å; F198-L200 HydrophobicContact CZ-CB 4.07Å; F198-L200 HydrophobicContact CZ-CD2 3.68Å; L200-E202 HydrophobicContact CD1-CB 3.97Å; L200-E202 HydrophobicContact CG-CB 4.32Å; L200-V207 HydrophobicContact CD2-CB 4.09Å; L200-V207 HydrophobicContact CD2-CG1 3.73Å; L200-V207 HydrophobicContact CD2-CG2 4.08Å; L200-M221 PolarHBondContact N-O 3.42Å; L200-T222 HydrophobicContact CB-CG2 4.27Å; L200-T222 VanDerWaalsContact O-CA 3.26Å; L200-T222 WeakPolarHBondContact O-CA 3.36Å; L200-T222 VanDerWaalsContact O-CB 3.25Å; L200-T222 WeakPolarHBondContact O-CB 3.39Å; L200-Y439 HydrophobicContact CD2-CD1 4.16Å; L200-Y439 HydrophobicContact CD2-CE1 3.4Å; L200-Y439 VanDerWaalsContact CD2-CE1 3.4Å; L200-Y439 HydrophobicContact CG-CE1 4.32Å; L200-Y439 PolarHBondContact O-OH 3.38Å
201	K	91.9	Very high	85.3	Confident	7 Å²	7	33.3 Å²	33.3	3%	0.03	18%	0.175	C	C	.	.			trans	-101.2	-12.4	171.4	-67.6	-175.2	112.9	171	0	113.9	F141 Y223 M231 Y233 E407	F141-K201 HydrophobicContact CE1-CD 4.27Å; F141-K201 HydrophobicContact CZ-CB 4.37Å; F141-K201 HydrophobicContact CZ-CD 3.61Å; F141-K201 HydrophobicContact CZ-CG 4.12Å; K201-Y223 WeakPolarHBondContact O-CD1 3.42Å; K201-M231 HydrophobicContact CD-CE 3.71Å; K201-M231 HydrophobicContact CD-SD 4.37Å; K201-M231 HydrophobicContact CG-CE 3.29Å; K201-Y233 HydrophobicContact CB-CE1 4.48Å; K201-Y233 HydrophobicContact CB-CE2 3.95Å; K201-Y233 WeakPolarHBondContact CB-OH 3.35Å; K201-Y233 HydrophobicContact CD-CE1 4.45Å; K201-Y233 WeakPolarHBondContact O-CE2 3.27Å; K201-Y233 PolarHBondContact O-OH 3.41Å; K201-E407 IonicContact NZ-OE2 3.6Å; K201-E407 PolarHBondContact NZ-OE2 2.93Å
202	E	91.4	Very high	84.2	Confident	23 Å²	23	31.7 Å²	31.7	11%	0.107	17%	0.167	C	C	.	.	S	Bend	trans	-78.7	148.2	-179.5	-73.4	-71.6	-179.7	0	0	113.5	F142 R179 L200 H206 Y223 Y439	F142-E202 HydrophobicContact CE1-CG 4.01Å; F142-E202 WeakPolarHBondContact CE1-OE1 3.27Å; F142-E202 HydrophobicContact CZ-CG 3.73Å; F142-E202 WeakPolarHBondContact CZ-OE1 3.45Å; R179-E202 VanDerWaalsContact NH1-CD 3.35Å; R179-E202 IonicContact NH1-OE1 2.67Å; R179-E202 PolarHBondContact NH1-OE1 3.48Å; L200-E202 HydrophobicContact CD1-CB 3.97Å; L200-E202 HydrophobicContact CG-CB 4.32Å; E202-H206 HydrophobicContact CB-CB 4.32Å; E202-H206 IonicContact OE2-CD2 2.65Å; E202-H206 IonicContact OE2-CG 3.72Å; E202-Y223 WeakPolarHBondContact O-CE1 3.3Å; E202-Y439 WeakPolarHBondContact O-CE1 3.43Å; E202-Y439 PolarHBondContact O-OH 3.15Å
203	S	92.4	Very high	83	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.			trans	-65.4	156.2	172.8	74.2	0	0	0	0	111.8	H205 H206 S325	S203-H205 PolarHBondContact O-N 2.99Å; S203-H206 PolarHBondContact O-N 3.45Å; S203-H206 PolarHBondContact OG-CD2 3.24Å; S203-S325 WeakPolarHBondContact OG-CB 3.42Å; S203-S325 PolarHBondContact OG-OG 3.02Å
204	P	87.4	Confident	82.1	Confident	5 Å²	5	30.5 Å²	30.5	3%	0.032	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-53.3	-24.1	176.2	-31.4	34.9	0	0	0	115.9	H206 Y223 Y439 L440	P204-H206 VanDerWaalsContact C-N 3.28Å; P204-H206 PolarHBondContact O-N 3.19Å; P204-Y223 WeakPolarHBondContact CD-OH 3.36Å; P204-Y439 HydrophobicContact CG-CD1 3.99Å; P204-Y439 HydrophobicContact CG-CE1 4.11Å; P204-Y439 VanDerWaalsContact CG-O 3.23Å; P204-Y439 WeakPolarHBondContact CG-O 3.24Å; P204-L440 HydrophobicContact CB-CD1 3.69Å
205	H	84.7	Confident	81.4	Confident	49 Å²	49	32.2 Å²	32.2	23%	0.227	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-75.4	-13.2	176.5	-68.7	-39.1	0	0	0	114.5	S203 P273 C445	S203-H205 PolarHBondContact O-N 2.99Å; H205-P273 HydrophobicContact CB-CB 4.21Å; H205-P273 HydrophobicContact CB-CG 3.63Å; H205-P273 VanDerWaalsContact CD2-CB 3.43Å; H205-P273 WeakPolarHBondContact CD2-CB 3.37Å; H205-C445 VanDerWaalsContact NE2-CB 3.34Å; H205-C445 WeakPolarHBondContact NE2-CB 3.31Å
206	H	82.4	Confident	81.1	Confident	49 Å²	49	32.1 Å²	32.1	23%	0.227	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-115.8	15	-173.9	-67.7	-54.3	0	0	0	113.6	E202 S203 P204	E202-H206 HydrophobicContact CB-CB 4.32Å; E202-H206 IonicContact OE2-CD2 2.65Å; E202-H206 IonicContact OE2-CG 3.72Å; S203-H206 PolarHBondContact O-N 3.45Å; S203-H206 PolarHBondContact OG-CD2 3.24Å; P204-H206 VanDerWaalsContact C-N 3.28Å; P204-H206 PolarHBondContact O-N 3.19Å
207	V	80.1	Confident	81	Confident	18 Å²	18	32.3 Å²	32.3	11%	0.109	17%	0.171	C	C	.	.			trans	-136.6	138	176.8	60.3	0	0	0	0	110.7	P178 L200 L209	P178-V207 HydrophobicContact CB-CG2 3.84Å; L200-V207 HydrophobicContact CD2-CB 4.09Å; L200-V207 HydrophobicContact CD2-CG1 3.73Å; L200-V207 HydrophobicContact CD2-CG2 4.08Å; V207-L209 HydrophobicContact CG1-CD1 4.32Å; V207-L209 HydrophobicContact CG1-CD2 4.05Å; V207-L209 HydrophobicContact CG1-CG 3.88Å; V207-L209 HydrophobicContact CG2-CD2 3.9Å; V207-L209 HydrophobicContact CG2-CG 4.27Å; V207-L209 PolarHBondContact O-N 3.08Å
208	N	75.1	Confident	80.9	Confident	89 Å²	89	32.3 Å²	32.3	48%	0.476	17%	0.171	S	C	.	.			trans	-93.4	88	170.7	-172.9	0.4	0	0	0	110.2	L210 L211	N208-L210 PolarHBondContact O-N 2.03Å; N208-L210 VanDerWaalsContact O-N 3.11Å; N208-L210 VanDerWaalsContact OD1-CB 3.26Å; N208-L210 WeakPolarHBondContact OD1-CB 3.38Å; N208-L210 PolarHBondContact OD1-N 3.28Å; N208-L210 VanDerWaalsContact OD1-N 3.15Å; N208-L211 HydrophobicContact CB-CD1 4.39Å; N208-L211 PolarHBondContact O-N 3.09Å
209	L	71.5	Confident	80.9	Confident	5 Å²	5	33 Å²	33	3%	0.026	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-66.4	-10	179.9	-64.3	170	0	0	0	113.6	F198 V207 L211 T212 I435 V436 Y439 L440	F198-L209 HydrophobicContact CE2-CD2 3.54Å; F198-L209 HydrophobicContact CZ-CD2 3.51Å; V207-L209 HydrophobicContact CG1-CD1 4.32Å; V207-L209 HydrophobicContact CG1-CD2 4.05Å; V207-L209 HydrophobicContact CG1-CG 3.88Å; V207-L209 HydrophobicContact CG2-CD2 3.9Å; V207-L209 HydrophobicContact CG2-CG 4.27Å; V207-L209 PolarHBondContact O-N 3.08Å; L209-L211 PolarHBondContact O-N 3.46Å; L209-T212 HydrophobicContact CD2-CG2 4.4Å; L209-T212 PolarHBondContact O-N 3.03Å; L209-T212 VanDerWaalsContact O-N 3.08Å; L209-T212 PolarHBondContact O-OG1 2.64Å; L209-I435 HydrophobicContact CD2-CG2 4.43Å; L209-V436 HydrophobicContact CB-CG2 4.28Å; L209-Y439 HydrophobicContact CD1-CD1 4.09Å; L209-L440 HydrophobicContact CD1-CB 3.84Å
210	L	65.5	Low	80.9	Confident	135 Å²	135	33 Å²	33	71%	0.707	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-67.1	-20	173.9	-60.2	171.9	0	0	0	112.5	N208 T212	N208-L210 PolarHBondContact O-N 2.03Å; N208-L210 VanDerWaalsContact O-N 3.11Å; N208-L210 VanDerWaalsContact OD1-CB 3.26Å; N208-L210 WeakPolarHBondContact OD1-CB 3.38Å; N208-L210 PolarHBondContact OD1-N 3.28Å; N208-L210 VanDerWaalsContact OD1-N 3.15Å; L210-T212 VanDerWaalsContact C-N 3.26Å
211	L	55.9	Low	81.2	Confident	90 Å²	90	33 Å²	33	47%	0.471	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-78.6	-10.4	173.7	-63.4	175.2	0	0	0	112.9	N208 L209	N208-L211 HydrophobicContact CB-CD1 4.39Å; N208-L211 PolarHBondContact O-N 3.09Å; L209-L211 PolarHBondContact O-N 3.46Å
212	T	64.1	Low	81.4	Confident	15 Å²	15	32.6 Å²	32.6	9%	0.092	17%	0.173	C	C	.	.	S	Bend	trans	-84	126.7	173.7	63.6	0	0	0	0	110.3	P178 I181 F198 L209 L210 K214 F217	P178-T212 HydrophobicContact CB-CG2 4.1Å; P178-T212 HydrophobicContact CG-CG2 4.46Å; I181-T212 HydrophobicContact CD1-CG2 4.31Å; F198-T212 HydrophobicContact CE2-CG2 4.27Å; L209-T212 HydrophobicContact CD2-CG2 4.4Å; L209-T212 PolarHBondContact O-N 3.03Å; L209-T212 VanDerWaalsContact O-N 3.08Å; L209-T212 PolarHBondContact O-OG1 2.64Å; L210-T212 VanDerWaalsContact C-N 3.26Å; T212-K214 PolarHBondContact O-N 3.43Å; T212-F217 HydrophobicContact CG2-CE2 3.96Å; T212-F217 HydrophobicContact CG2-CZ 4.48Å
213	A	59.6	Low	81.5	Confident	52 Å²	52	31.6 Å²	31.6	43%	0.43	17%	0.168	S	C	.	.	P	Polyproline II helix	trans	-61.2	124.1	172.9	0	0	0	0	0	109.1	D215 F216	A213-D215 PolarHBondContact O-N 2.98Å; A213-F216 HydrophobicContact CB-CB 3.83Å; A213-F216 HydrophobicContact CB-CG 4.37Å; A213-F216 VanDerWaalsContact O-CB 3.27Å; A213-F216 WeakPolarHBondContact O-CB 3.16Å; A213-F216 PolarHBondContact O-N 2.9Å
214	K	66	Low	81.7	Confident	82 Å²	82	31.7 Å²	31.7	36%	0.357	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	138.7	172.9	-165.1	-166.4	163.7	-164.6	0	107.9	T212 F216 K1261	T212-K214 PolarHBondContact O-N 3.43Å; K214-F216 VanDerWaalsContact C-N 3.27Å; K214-F216 PolarHBondContact O-N 3.46Å; K214-K1261 HydrophobicContact CB-CD 4.18Å; K214-K1261 HydrophobicContact CD-CB 4Å; K214-K1261 HydrophobicContact CD-CD 3.73Å; K214-K1261 HydrophobicContact CD-CG 3.89Å; K214-K1261 HydrophobicContact CG-CD 4.39Å
215	D	74.5	Confident	81.9	Confident	37 Å²	37	37 Å²	37	20%	0.198	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	16.4	176.3	-44.8	-53.2	0	0	0	115.6	A213 R428 L1257	A213-D215 PolarHBondContact O-N 2.98Å; D215-R428 VanDerWaalsContact CB-NH1 3.3Å; D215-R428 IonicContact OD1-CZ 2.89Å; D215-R428 IonicContact OD1-NH1 3.8Å; D215-R428 PolarHBondContact OD1-NH1 3.37Å; D215-L1257 WeakPolarHBondContact OD1-CD2 3.49Å
216	F	86.6	Confident	82.4	Confident	18 Å²	18	38 Å²	38	8%	0.079	20%	0.195	C	C	.	.			trans	-88.5	-32.9	179.3	-177.6	-96.9	0	0	0	114.5	F176 M186 P187 R190 Y196 A213 K214	F176-F216 HydrophobicContact CD1-CE1 4.4Å; F176-F216 HydrophobicContact CD2-CE1 4.14Å; F176-F216 AromaticContact CE1-CE1 3.95Å; F176-F216 HydrophobicContact CE1-CE1 3.95Å; F176-F216 HydrophobicContact CE1-CZ 4.1Å; F176-F216 AromaticContact CE2-CE1 3.67Å; F176-F216 HydrophobicContact CE2-CE1 3.67Å; F176-F216 HydrophobicContact CE2-CZ 4.1Å; F176-F216 HydrophobicContact CG-CE1 4.5Å; F176-F216 AromaticContact CZ-CE1 3.58Å; F176-F216 HydrophobicContact CZ-CE1 3.58Å; F176-F216 AromaticContact CZ-CZ 3.63Å; F176-F216 HydrophobicContact CZ-CZ 3.63Å; M186-F216 HydrophobicContact CE-CD1 3.58Å; M186-F216 HydrophobicContact CE-CD2 4.27Å; M186-F216 HydrophobicContact CE-CE1 3.25Å; M186-F216 HydrophobicContact CE-CE2 3.99Å; M186-F216 HydrophobicContact CE-CG 4.07Å; M186-F216 HydrophobicContact CE-CZ 3.47Å; M186-F216 VanDerWaalsContact CE-CZ 3.47Å; M186-F216 HydrophobicContact SD-CE1 4.48Å; P187-F216 HydrophobicContact CG-CE2 4.21Å; P187-F216 HydrophobicContact CG-CZ 3.78Å; R190-F216 WeakPolarHBondContact CD-O 3.48Å; R190-F216 HydrophobicContact CG-CD2 4.08Å; R190-F216 HydrophobicContact CG-CE2 4.13Å; Y196-F216 WeakPolarHBondContact CB-O 3.39Å; Y196-F216 HydrophobicContact CD1-CD1 4.42Å; Y196-F216 AromaticContact CD1-CE1 3.57Å; Y196-F216 HydrophobicContact CD1-CE1 3.57Å; Y196-F216 HydrophobicContact CD1-CE2 4.03Å; Y196-F216 AromaticContact CD1-CZ 3.34Å; Y196-F216 HydrophobicContact CD1-CZ 3.34Å; Y196-F216 HydrophobicContact CE1-CE1 4.37Å; Y196-F216 HydrophobicContact CE1-CE2 4.14Å; Y196-F216 AromaticContact CE1-CZ 3.69Å; Y196-F216 HydrophobicContact CE1-CZ 3.69Å; Y196-F216 HydrophobicContact CG-CE1 4.31Å; Y196-F216 HydrophobicContact CG-CZ 4.35Å; A213-F216 HydrophobicContact CB-CB 3.83Å; A213-F216 HydrophobicContact CB-CG 4.37Å; A213-F216 VanDerWaalsContact O-CB 3.27Å; A213-F216 WeakPolarHBondContact O-CB 3.16Å; A213-F216 PolarHBondContact O-N 2.9Å; K214-F216 VanDerWaalsContact C-N 3.27Å; K214-F216 PolarHBondContact O-N 3.46Å
217	F	92	Very high	83.1	Confident	5 Å²	5	36.1 Å²	36.1	2%	0.022	19%	0.187	C	C	.	.			trans	-89.1	147.7	-177.6	-63.2	-72.7	0	0	0	111.5	F176 I181 Y196 F198 T212 R428 A432 I435	F176-F217 HydrophobicContact CB-CE1 3.73Å; F176-F217 HydrophobicContact CB-CZ 4.1Å; F176-F217 HydrophobicContact CD2-CD1 4.48Å; F176-F217 AromaticContact CD2-CE1 3.73Å; F176-F217 HydrophobicContact CD2-CE1 3.73Å; F176-F217 AromaticContact CG-CE1 3.84Å; F176-F217 HydrophobicContact CG-CE1 3.84Å; F176-F217 HydrophobicContact CG-CZ 4.4Å; I181-F217 HydrophobicContact CD1-CZ 4.1Å; Y196-F217 CarbonylContact O-C 3.47Å; Y196-F217 WeakPolarHBondContact O-CA 3.32Å; F198-F217 HydrophobicContact CB-CB 4.09Å; F198-F217 HydrophobicContact CB-CD1 3.78Å; F198-F217 HydrophobicContact CB-CD2 4.04Å; F198-F217 HydrophobicContact CB-CE1 4.19Å; F198-F217 HydrophobicContact CB-CE2 4.39Å; F198-F217 HydrophobicContact CB-CG 3.68Å; F198-F217 HydrophobicContact CB-CZ 4.46Å; F198-F217 AromaticContact CD2-CD2 3.97Å; F198-F217 HydrophobicContact CD2-CD2 3.97Å; F198-F217 AromaticContact CD2-CE2 3.72Å; F198-F217 HydrophobicContact CD2-CE2 3.72Å; F198-F217 HydrophobicContact CD2-CG 4.46Å; F198-F217 HydrophobicContact CD2-CZ 4.07Å; F198-F217 HydrophobicContact CG-CD2 4.48Å; T212-F217 HydrophobicContact CG2-CE2 3.96Å; T212-F217 HydrophobicContact CG2-CZ 4.48Å; F217-R428 VanDerWaalsContact O-CD 3.23Å; F217-R428 WeakPolarHBondContact O-CD 3.4Å; F217-R428 VanDerWaalsContact O-CG 3.28Å; F217-R428 WeakPolarHBondContact O-CG 3.38Å; F217-A432 HydrophobicContact CB-CB 4.49Å; F217-I435 HydrophobicContact CB-CD1 3.64Å; F217-I435 HydrophobicContact CD2-CD1 3.5Å; F217-I435 VanDerWaalsContact CD2-CD1 3.5Å; F217-I435 HydrophobicContact CE2-CD1 4.4Å; F217-I435 HydrophobicContact CG-CD1 3.79Å
218	T	93.5	Very high	83.8	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-108.5	-27.4	176.1	59.2	0	0	0	0	113.1	H195 Y196 V426 R428 S429 A432	H195-T218 VanDerWaalsContact CA-OG1 3.25Å; H195-T218 WeakPolarHBondContact CA-OG1 3.45Å; H195-T218 WeakPolarHBondContact CB-OG1 3.44Å; H195-T218 PolarHBondContact ND1-OG1 2.92Å; Y196-T218 PolarHBondContact N-OG1 3.35Å; Y196-T218 PolarHBondContact O-N 3.44Å; Y196-T218 PolarHBondContact O-OG1 3.17Å; T218-V426 HydrophobicContact CG2-CG1 3.83Å; T218-R428 HydrophobicContact CG2-CG 4.21Å; T218-S429 PolarHBondContact O-N 2.98Å; T218-S429 PolarHBondContact O-OG 3.12Å; T218-A432 WeakPolarHBondContact O-CB 3.28Å
219	L	95.5	Very high	84.9	Confident	13 Å²	13	34.2 Å²	34.2	7%	0.068	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.5	177	-65.7	176.5	0	0	0	110	H195 Y196 I197 F198 D228 V417	H195-L219 HydrophobicContact CB-CD1 4.07Å; H195-L219 HydrophobicContact CB-CG 4.5Å; H195-L219 WeakPolarHBondContact ND1-CD1 3.24Å; H195-L219 WeakPolarHBondContact ND1-CG 3.17Å; Y196-L219 PolarHBondContact O-N 3.12Å; I197-L219 WeakPolarHBondContact CA-O 3.29Å; I197-L219 HydrophobicContact CG1-CB 4.26Å; F198-L219 PolarHBondContact N-O 2.92Å; L219-D228 VanDerWaalsContact CA-OD2 3.32Å; L219-D228 WeakPolarHBondContact CA-OD2 3.36Å; L219-D228 HydrophobicContact CD2-CB 4.05Å; L219-V417 HydrophobicContact CD1-CG1 4.1Å
220	T	96.3	Very high	86.1	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	137.2	172.5	66.1	0	0	0	0	111.4	F198 S227 D228 I229 S431 A432 I435 W438	F198-T220 HydrophobicContact CB-CG2 4.37Å; T220-S227 WeakPolarHBondContact CB-OG 3.32Å; T220-S227 PolarHBondContact O-OG 3.23Å; T220-S227 WeakPolarHBondContact OG1-CA 3.22Å; T220-S227 PolarHBondContact OG1-OG 3.27Å; T220-D228 PolarHBondContact N-OD2 2.84Å; T220-D228 PolarHBondContact O-N 3.16Å; T220-D228 PolarHBondContact OG1-N 3.22Å; T220-D228 PolarHBondContact OG1-OD2 3.42Å; T220-I229 PolarHBondContact O-N 3.13Å; T220-S431 VanDerWaalsContact OG1-CB 3.25Å; T220-S431 WeakPolarHBondContact OG1-CB 3.35Å; T220-S431 PolarHBondContact OG1-OG 2.82Å; T220-A432 HydrophobicContact CG2-CB 3.99Å; T220-I435 HydrophobicContact CG2-CD1 4Å; T220-I435 HydrophobicContact CG2-CG1 4.29Å; T220-W438 HydrophobicContact CG2-CE3 4.11Å; T220-W438 HydrophobicContact CG2-CH2 4.08Å; T220-W438 HydrophobicContact CG2-CZ3 3.63Å
221	M	97.8	Very high	87.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	97.3	177.3	-178.2	168.8	175.2	0	0	110.2	L175 I197 F198 F199 L200 S227 I229 M231 A410 F411 L414	L175-M221 HydrophobicContact CD1-SD 4.32Å; I197-M221 HydrophobicContact CG2-CB 3.77Å; F198-M221 PolarHBondContact O-N 3.18Å; F199-M221 VanDerWaalsContact CA-O 3.29Å; F199-M221 WeakPolarHBondContact CA-O 3.39Å; F199-M221 HydrophobicContact CD2-CB 4.32Å; F199-M221 HydrophobicContact CD2-CE 4.18Å; F199-M221 HydrophobicContact CD2-CG 3.87Å; F199-M221 HydrophobicContact CD2-SD 3.88Å; F199-M221 HydrophobicContact CE2-CE 4.12Å; F199-M221 HydrophobicContact CE2-SD 4.42Å; L200-M221 PolarHBondContact N-O 3.42Å; M221-S227 PolarHBondContact N-OG 2.83Å; M221-I229 VanDerWaalsContact CA-O 3.27Å; M221-I229 WeakPolarHBondContact CA-O 3.38Å; M221-I229 HydrophobicContact CB-CB 3.9Å; M221-I229 HydrophobicContact CB-CG1 4.45Å; M221-I229 HydrophobicContact CB-CG2 4.47Å; M221-I229 HydrophobicContact CE-CG2 4.14Å; M221-I229 HydrophobicContact CG-CB 3.74Å; M221-I229 HydrophobicContact CG-CG2 3.76Å; M221-I229 HydrophobicContact SD-CB 4.28Å; M221-I229 HydrophobicContact SD-CG2 3.96Å; M221-M231 HydrophobicContact CE-SD 3.74Å; M221-M231 HydrophobicContact CG-CB 4.48Å; M221-M231 HydrophobicContact CG-CE 4.45Å; M221-A410 HydrophobicContact CE-CB 3.77Å; M221-F411 HydrophobicContact CE-CD1 4.26Å; M221-F411 HydrophobicContact CE-CD2 3.78Å; M221-F411 HydrophobicContact CE-CE1 4.28Å; M221-F411 HydrophobicContact CE-CE2 3.81Å; M221-F411 HydrophobicContact CE-CG 4.01Å; M221-F411 HydrophobicContact CE-CZ 4.06Å; M221-L414 HydrophobicContact SD-CB 4.49Å; M221-L414 HydrophobicContact SD-CD2 3.97Å
222	T	96.2	Very high	89.4	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	176.9	-169.7	75.7	0	0	0	0	112.8	F198 L200 R224 S227 I229 M231 W438 Y439	F198-T222 HydrophobicContact CD1-CG2 3.77Å; F198-T222 HydrophobicContact CE1-CG2 3.79Å; L200-T222 HydrophobicContact CB-CG2 4.27Å; L200-T222 VanDerWaalsContact O-CA 3.26Å; L200-T222 WeakPolarHBondContact O-CA 3.36Å; L200-T222 VanDerWaalsContact O-CB 3.25Å; L200-T222 WeakPolarHBondContact O-CB 3.39Å; T222-R224 PolarHBondContact O-N 3.37Å; T222-R224 PolarHBondContact OG1-N 3.48Å; T222-R224 VanDerWaalsContact OG1-N 3.15Å; T222-S227 PolarHBondContact N-OG 3.41Å; T222-S227 WeakPolarHBondContact OG1-CB 3.44Å; T222-S227 PolarHBondContact OG1-OG 2.92Å; T222-I229 PolarHBondContact N-O 2.99Å; T222-I229 VanDerWaalsContact N-O 3.15Å; T222-M231 PolarHBondContact O-N 2.9Å; T222-W438 HydrophobicContact CG2-CH2 3.89Å; T222-W438 HydrophobicContact CG2-CZ3 4.2Å; T222-W438 WeakPolarHBondContact OG1-CH2 3.35Å; T222-Y439 HydrophobicContact CG2-CD2 4.23Å; T222-Y439 HydrophobicContact CG2-CE2 3.63Å
223	Y	95.2	Very high	90.9	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	13%	0.127	C	C	.	.	S	Bend	trans	-71.4	-8.8	173.1	73.2	-98.9	0	0	0	114.2	K201 E202 P204 Y230 M231 K328 D329 Y330 Y439	K201-Y223 WeakPolarHBondContact O-CD1 3.42Å; E202-Y223 WeakPolarHBondContact O-CE1 3.3Å; P204-Y223 WeakPolarHBondContact CD-OH 3.36Å; Y223-Y230 WeakPolarHBondContact O-CE2 2.83Å; Y223-M231 WeakPolarHBondContact CA-O 3.08Å; Y223-M231 PolarHBondContact N-O 2.92Å; Y223-K328 WeakPolarHBondContact CE2-O 3.35Å; Y223-D329 HydrophobicContact CD2-CB 4.25Å; Y223-D329 WeakPolarHBondContact CD2-O 3.4Å; Y223-D329 HydrophobicContact CE2-CB 4.42Å; Y223-Y330 AromaticContact CD1-CD2 3.77Å; Y223-Y330 HydrophobicContact CD1-CD2 3.77Å; Y223-Y330 HydrophobicContact CD1-CE2 4.25Å; Y223-Y330 HydrophobicContact CD2-CD2 4.1Å; Y223-Y330 AromaticContact CE1-CD2 3.42Å; Y223-Y330 HydrophobicContact CE1-CD2 3.42Å; Y223-Y330 VanDerWaalsContact CE1-CD2 3.42Å; Y223-Y330 HydrophobicContact CE1-CE2 4.01Å; Y223-Y330 HydrophobicContact CE1-CG 4.43Å; Y223-Y330 AromaticContact CE2-CD2 3.85Å; Y223-Y330 HydrophobicContact CE2-CD2 3.85Å; Y223-Y330 HydrophobicContact CE2-CG 4.22Å; Y223-Y330 HydrophobicContact CG-CD2 4.1Å; Y223-Y330 AromaticContact CZ-CD2 3.51Å; Y223-Y439 WeakPolarHBondContact CD1-OH 3.45Å; Y223-Y439 HydrophobicContact CE1-CE2 4.24Å; Y223-Y439 AromaticContact CE1-CZ 3.69Å; Y223-Y439 WeakPolarHBondContact CE1-OH 3.32Å
224	R	94.8	Very high	92.5	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	11%	0.106	C	C	.	.	S	Bend	trans	-70.9	134	176.5	-80.4	-169.4	60.6	130.8	1	110	T222 D226 S227 Y230 W438 Y439 E442	T222-R224 PolarHBondContact O-N 3.37Å; T222-R224 PolarHBondContact OG1-N 3.48Å; T222-R224 VanDerWaalsContact OG1-N 3.15Å; R224-D226 WeakPolarHBondContact CB-OD1 3.34Å; R224-D226 IonicContact CZ-OD1 3.41Å; R224-D226 IonicContact CZ-OD2 3.86Å; R224-D226 IonicContact NE-OD1 2.76Å; R224-D226 PolarHBondContact NE-OD1 3.14Å; R224-D226 IonicContact NE-OD2 3.58Å; R224-D226 IonicContact NH2-OD1 3.2Å; R224-D226 PolarHBondContact NH2-OD1 2.93Å; R224-D226 IonicContact NH2-OD2 3.21Å; R224-D226 PolarHBondContact NH2-OD2 2.88Å; R224-D226 PolarHBondContact O-N 2.89Å; R224-S227 VanDerWaalsContact O-CB 3.23Å; R224-S227 WeakPolarHBondContact O-CB 3.12Å; R224-S227 PolarHBondContact O-N 3.45Å; R224-S227 VanDerWaalsContact O-N 3.09Å; R224-Y230 VanDerWaalsContact O-CD2 3.3Å; R224-Y230 WeakPolarHBondContact O-CD2 3.43Å; R224-W438 HydrophobicContact CB-CH2 4.26Å; R224-W438 HydrophobicContact CB-CZ2 3.7Å; R224-W438 HydrophobicContact CG-CZ2 4.27Å; R224-W438 PolarHBondContact NH1-O 3.25Å; R224-Y439 HydrophobicContact CG-CD2 4.3Å; R224-Y439 HydrophobicContact CG-CE2 4.18Å; R224-E442 PolarHBondContact NH1-O 3.13Å
225	R	93.4	Very high	93.8	Very high	118 Å²	118	23 Å²	23	45%	0.445	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21.9	-178.5	-72.7	-177.7	-68.1	170.6	-3.6	113.4	Y230 D329	R225-Y230 HydrophobicContact CG-CD2 4.38Å; R225-Y230 HydrophobicContact CG-CE1 4.12Å; R225-Y230 HydrophobicContact CG-CE2 3.8Å; R225-D329 IonicContact CZ-OD1 2.72Å; R225-D329 PolarHBondContact N-OD2 2.98Å; R225-D329 VanDerWaalsContact N-OD2 3.08Å; R225-D329 IonicContact NE-OD1 3.51Å; R225-D329 PolarHBondContact NE-OD1 3.36Å; R225-D329 IonicContact NE-OD2 2.78Å; R225-D329 IonicContact NH2-OD1 3.48Å; R225-D329 PolarHBondContact NH2-OD1 3.28Å
226	D	94.2	Very high	94.7	Very high	70 Å²	70	21.8 Å²	21.8	37%	0.374	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	18.9	177.3	59.6	9.1	0	0	0	113.6	R224 K328 W438	R224-D226 WeakPolarHBondContact CB-OD1 3.34Å; R224-D226 IonicContact CZ-OD1 3.41Å; R224-D226 IonicContact CZ-OD2 3.86Å; R224-D226 IonicContact NE-OD1 2.76Å; R224-D226 PolarHBondContact NE-OD1 3.14Å; R224-D226 IonicContact NE-OD2 3.58Å; R224-D226 IonicContact NH2-OD1 3.2Å; R224-D226 PolarHBondContact NH2-OD1 2.93Å; R224-D226 IonicContact NH2-OD2 3.21Å; R224-D226 PolarHBondContact NH2-OD2 2.88Å; R224-D226 PolarHBondContact O-N 2.89Å; D226-K328 IonicContact OD2-NZ 3.91Å; D226-K328 PolarHBondContact OD2-NZ 2.95Å; D226-W438 PolarHBondContact OD1-NE1 2.84Å
227	S	96.6	Very high	94.9	Very high	9 Å²	9	26.9 Å²	26.9	6%	0.063	12%	0.116	C	C	.	.	S	Bend	trans	-79	146.6	167.7	-162.4	0	0	0	0	110.3	T220 M221 T222 R224 I229	T220-S227 WeakPolarHBondContact CB-OG 3.32Å; T220-S227 PolarHBondContact O-OG 3.23Å; T220-S227 WeakPolarHBondContact OG1-CA 3.22Å; T220-S227 PolarHBondContact OG1-OG 3.27Å; M221-S227 PolarHBondContact N-OG 2.83Å; T222-S227 PolarHBondContact N-OG 3.41Å; T222-S227 WeakPolarHBondContact OG1-CB 3.44Å; T222-S227 PolarHBondContact OG1-OG 2.92Å; R224-S227 VanDerWaalsContact O-CB 3.23Å; R224-S227 WeakPolarHBondContact O-CB 3.12Å; R224-S227 PolarHBondContact O-N 3.45Å; R224-S227 VanDerWaalsContact O-N 3.09Å; S227-I229 PolarHBondContact O-N 3.47Å; S227-I229 PolarHBondContact OG-O 3.37Å
228	D	96.5	Very high	94.8	Very high	63 Å²	63	33.8 Å²	33.8	34%	0.337	15%	0.146	S	C	.	.	S	Bend	trans	-52.5	-45.6	177.7	-57.6	-64.4	0	0	0	111.6	L219 T220 S429 S431	L219-D228 VanDerWaalsContact CA-OD2 3.32Å; L219-D228 WeakPolarHBondContact CA-OD2 3.36Å; L219-D228 HydrophobicContact CD2-CB 4.05Å; T220-D228 PolarHBondContact N-OD2 2.84Å; T220-D228 PolarHBondContact O-N 3.16Å; T220-D228 PolarHBondContact OG1-N 3.22Å; T220-D228 PolarHBondContact OG1-OD2 3.42Å; D228-S429 VanDerWaalsContact CG-CB 3.43Å; D228-S429 WeakPolarHBondContact OD1-CB 3.32Å; D228-S429 PolarHBondContact OD1-OG 3.18Å; D228-S429 VanDerWaalsContact OD2-CB 3.27Å; D228-S429 WeakPolarHBondContact OD2-CB 3.3Å; D228-S429 PolarHBondContact OD2-OG 2.95Å; D228-S431 PolarHBondContact OD2-OG 3.02Å
229	I	97.7	Very high	94.5	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.015	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	101.8	170.1	-46.7	-56	0	0	0	108.6	T220 M221 T222 S227 M231 A410 R413 L414 V417	T220-I229 PolarHBondContact O-N 3.13Å; M221-I229 VanDerWaalsContact CA-O 3.27Å; M221-I229 WeakPolarHBondContact CA-O 3.38Å; M221-I229 HydrophobicContact CB-CB 3.9Å; M221-I229 HydrophobicContact CB-CG1 4.45Å; M221-I229 HydrophobicContact CB-CG2 4.47Å; M221-I229 HydrophobicContact CE-CG2 4.14Å; M221-I229 HydrophobicContact CG-CB 3.74Å; M221-I229 HydrophobicContact CG-CG2 3.76Å; M221-I229 HydrophobicContact SD-CB 4.28Å; M221-I229 HydrophobicContact SD-CG2 3.96Å; T222-I229 PolarHBondContact N-O 2.99Å; T222-I229 VanDerWaalsContact N-O 3.15Å; S227-I229 PolarHBondContact O-N 3.47Å; S227-I229 PolarHBondContact OG-O 3.37Å; I229-M231 PolarHBondContact O-N 2.7Å; I229-A410 HydrophobicContact CG2-CB 4.05Å; I229-A410 VanDerWaalsContact CG2-O 3.29Å; I229-A410 WeakPolarHBondContact CG2-O 3.36Å; I229-R413 HydrophobicContact CG2-CB 4.48Å; I229-L414 HydrophobicContact CD1-CB 4.37Å; I229-L414 HydrophobicContact CD1-CD1 4.43Å; I229-L414 HydrophobicContact CG1-CB 4.25Å; I229-L414 HydrophobicContact CG1-CD1 4.13Å; I229-L414 HydrophobicContact CG2-CB 4.45Å; I229-V417 HydrophobicContact CD1-CB 4.2Å; I229-V417 HydrophobicContact CD1-CG2 3.68Å
230	Y	96.2	Very high	93.9	Very high	37 Å²	37	43.9 Å²	43.9	15%	0.145	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	119.5	174.7	174.4	-134.8	0	0	0	111.2	Y223 R224 R225 P232 W235 F356	Y223-Y230 WeakPolarHBondContact O-CE2 2.83Å; R224-Y230 VanDerWaalsContact O-CD2 3.3Å; R224-Y230 WeakPolarHBondContact O-CD2 3.43Å; R225-Y230 HydrophobicContact CG-CD2 4.38Å; R225-Y230 HydrophobicContact CG-CE1 4.12Å; R225-Y230 HydrophobicContact CG-CE2 3.8Å; Y230-P232 HydrophobicContact CE1-CB 4.47Å; Y230-P232 HydrophobicContact CE1-CG 3.88Å; Y230-P232 HydrophobicContact CE2-CB 3.75Å; Y230-P232 HydrophobicContact CE2-CG 3.9Å; Y230-P232 WeakPolarHBondContact OH-CB 3.45Å; Y230-W235 HydrophobicContact CE1-CZ3 4.46Å; Y230-F356 VanDerWaalsContact OH-CE1 3.25Å; Y230-F356 WeakPolarHBondContact OH-CE1 3.23Å
231	M	95.5	Very high	93.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	23%	0.231	C	C	.	.			trans	-131.8	80.5	-176.9	-173.1	-176.4	56.9	0	0	111.1	F199 K201 M221 T222 Y223 I229 E407 A410	F199-M231 HydrophobicContact CD2-CE 3.74Å; F199-M231 HydrophobicContact CD2-SD 4.42Å; F199-M231 HydrophobicContact CE2-CE 3.21Å; F199-M231 HydrophobicContact CE2-SD 3.6Å; F199-M231 HydrophobicContact CZ-CE 3.88Å; F199-M231 HydrophobicContact CZ-SD 4.37Å; K201-M231 HydrophobicContact CD-CE 3.71Å; K201-M231 HydrophobicContact CD-SD 4.37Å; K201-M231 HydrophobicContact CG-CE 3.29Å; M221-M231 HydrophobicContact CE-SD 3.74Å; M221-M231 HydrophobicContact CG-CB 4.48Å; M221-M231 HydrophobicContact CG-CE 4.45Å; T222-M231 PolarHBondContact O-N 2.9Å; Y223-M231 WeakPolarHBondContact CA-O 3.08Å; Y223-M231 PolarHBondContact N-O 2.92Å; I229-M231 PolarHBondContact O-N 2.7Å; M231-E407 HydrophobicContact SD-CB 4.47Å; M231-E407 HydrophobicContact SD-CG 4.01Å; M231-A410 HydrophobicContact CB-CB 3.6Å; M231-A410 HydrophobicContact CG-CB 3.57Å; M231-A410 HydrophobicContact SD-CB 4.2Å
232	P	95.2	Very high	92.3	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.019	26%	0.261	C	S	.	.			trans	-75.7	171	174.2	33.7	-35.6	0	0	0	112.2	Y230 G234 M406	Y230-P232 HydrophobicContact CE1-CB 4.47Å; Y230-P232 HydrophobicContact CE1-CG 3.88Å; Y230-P232 HydrophobicContact CE2-CB 3.75Å; Y230-P232 HydrophobicContact CE2-CG 3.9Å; Y230-P232 WeakPolarHBondContact OH-CB 3.45Å; P232-G234 PolarHBondContact O-N 3.36Å; P232-M406 HydrophobicContact CG-CE 3.34Å; P232-M406 HydrophobicContact CG-CG 4.4Å; P232-M406 WeakPolarHBondContact O-CB 3.49Å
233	Y	94.8	Very high	91.3	Very high	25 Å²	25	60.6 Å²	60.6	10%	0.098	28%	0.279	C	S	.	.	S	Bend	trans	-79.8	-0.6	174.4	-76.7	-95.2	0	0	0	114.4	K201 Y330 V331 T332 E333 A403	K201-Y233 HydrophobicContact CB-CE1 4.48Å; K201-Y233 HydrophobicContact CB-CE2 3.95Å; K201-Y233 WeakPolarHBondContact CB-OH 3.35Å; K201-Y233 HydrophobicContact CD-CE1 4.45Å; K201-Y233 WeakPolarHBondContact O-CE2 3.27Å; K201-Y233 PolarHBondContact O-OH 3.41Å; Y233-Y330 HydrophobicContact CE2-CE2 4.37Å; Y233-V331 WeakPolarHBondContact CD2-O 3.46Å; Y233-T332 HydrophobicContact CD2-CG2 4.23Å; Y233-T332 HydrophobicContact CE2-CG2 4.07Å; Y233-E333 HydrophobicContact CD1-CB 4.44Å; Y233-E333 WeakPolarHBondContact CD1-OE2 3.3Å; Y233-E333 WeakPolarHBondContact CE1-OE2 3.4Å; Y233-A403 WeakPolarHBondContact O-CA 3.02Å; Y233-A403 WeakPolarHBondContact O-CB 3.28Å; Y233-A403 PolarHBondContact O-N 3.14Å
234	G	93.3	Very high	90.3	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.306	C	S	.	.			trans	167.6	170.1	-179.1	0	0	0	0	0	110.1	P232 F336 I401	P232-G234 PolarHBondContact O-N 3.36Å; G234-F336 VanDerWaalsContact C-CZ 3.42Å; G234-F336 VanDerWaalsContact CA-CD2 3.48Å; G234-F336 WeakPolarHBondContact O-CE2 2.78Å; G234-F336 WeakPolarHBondContact O-CZ 3.29Å; G234-I401 VanDerWaalsContact CA-O 3.26Å; G234-I401 WeakPolarHBondContact CA-O 3.24Å
235	W	93.5	Very high	89.1	Confident	78 Å²	78	72.5 Å²	72.5	30%	0.295	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	147.6	178.8	-168.8	-105.3	0	0	0	110.9	Y230 F356 V400 I401 M406	Y230-W235 HydrophobicContact CE1-CZ3 4.46Å; W235-F356 HydrophobicContact CE3-CD1 4.21Å; W235-F356 AromaticContact CZ3-CD1 3.8Å; W235-F356 HydrophobicContact CZ3-CD1 3.8Å; W235-F356 HydrophobicContact CZ3-CE1 4.34Å; W235-V400 CarbonylContact O-C 3.48Å; W235-V400 WeakPolarHBondContact O-CA 3.02Å; W235-I401 HydrophobicContact CB-CB 4.46Å; W235-I401 PolarHBondContact N-O 3.02Å; W235-I401 PolarHBondContact O-N 3.21Å; W235-M406 HydrophobicContact CB-CE 3.99Å; W235-M406 HydrophobicContact CB-CG 4.31Å; W235-M406 HydrophobicContact CB-SD 3.68Å
236	V	93.9	Very high	88.1	Confident	13 Å²	13	70.5 Å²	70.5	8%	0.079	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.6	170.1	-176	0	0	0	0	108.5	F336 L339 L357 P358 W394 H398 E399 V400	V236-F336 HydrophobicContact CG2-CD1 4.37Å; V236-F336 HydrophobicContact CG2-CE1 4.39Å; V236-L339 HydrophobicContact CG2-CD1 3.9Å; V236-L357 HydrophobicContact CG2-CD2 3.86Å; V236-P358 HydrophobicContact CB-CG 4.45Å; V236-P358 HydrophobicContact CG1-CG 3.66Å; V236-W394 HydrophobicContact CG1-CE3 4Å; V236-W394 HydrophobicContact CG1-CZ3 3.99Å; V236-H398 HydrophobicContact CG1-CB 3.68Å; V236-E399 WeakPolarHBondContact CA-O 3.37Å; V236-V400 HydrophobicContact CG2-CG2 4.38Å
237	R	89.9	Confident	87	Confident	125 Å²	125	71.2 Å²	71.2	47%	0.472	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	146.9	-178.5	-171.2	-176.9	61.2	-170.1	-4.3	110.3	H398 E399 I401	R237-H398 CarbonylContact O-C 3.53Å; R237-H398 WeakPolarHBondContact O-CA 3.42Å; R237-H398 WeakPolarHBondContact O-CB 3.31Å; R237-E399 IonicContact CZ-OE1 2.66Å; R237-E399 PolarHBondContact N-O 3.46Å; R237-E399 IonicContact NE-OE1 2.67Å; R237-E399 IonicContact NH2-OE1 3.67Å; R237-E399 PolarHBondContact NH2-OE1 3.24Å; R237-E399 PolarHBondContact O-N 3.17Å; R237-I401 HydrophobicContact CB-CD1 4.14Å
238	K	90.8	Very high	85.9	Confident	150 Å²	150	72.3 Å²	72.3	65%	0.652	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	129.6	169.6	-164.3	177.7	-178.3	-179.1	0	110.4	S397	K238-S397 CarbonylContact C-O 3.46Å; K238-S397 VanDerWaalsContact CA-O 3.29Å; K238-S397 WeakPolarHBondContact CA-O 3.35Å; K238-S397 WeakPolarHBondContact CG-O 3.34Å
239	M	87.2	Confident	84.8	Confident	29 Å²	29	71.8 Å²	71.8	14%	0.143	35%	0.352	C	S	.	.			trans	-73.4	146.8	173.7	-65.7	-177.7	-69.3	0	0	110.3	I243 M395 S397 E399	M239-I243 HydrophobicContact CE-CD1 3.85Å; M239-I243 HydrophobicContact CE-CG1 3.83Å; M239-I243 HydrophobicContact SD-CD1 4.22Å; M239-I243 HydrophobicContact SD-CG1 4.24Å; M239-M395 WeakPolarHBondContact CE-O 3.4Å; M239-S397 PolarHBondContact N-O 3.1Å; M239-E399 HydrophobicContact CG-CB 3.79Å; M239-E399 HydrophobicContact CG-CG 3.79Å; M239-E399 HydrophobicContact SD-CB 4.08Å
240	E	83.7	Confident	83.9	Confident	196 Å²	196	75.1 Å²	75.1	92%	0.916	37%	0.373	S	S	*	.	S	Bend	trans	-69.8	-37.7	174.8	-67.6	-178.5	175.4	0	0	112
241	K	81.9	Confident	83.2	Confident	181 Å²	181	77.9 Å²	77.9	79%	0.787	39%	0.386	S	S	*	.	S	Bend	trans	-118.5	111.1	177.3	-66.2	-176.1	-177.2	178.7	0	109.5
242	P	77.7	Confident	82.4	Confident	96 Å²	96	78.4 Å²	78.4	62%	0.623	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-58.5	148.4	175.3	-23.8	33.7	0	0	0	112.3	K396	P242-K396 WeakPolarHBondContact CB-O 3.3Å
243	I	76.3	Confident	81.7	Confident	73 Å²	73	81.4 Å²	81.4	37%	0.374	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-73	146.5	177.2	-61.5	167.1	0	0	0	110	M239 K245 W248 K396	M239-I243 HydrophobicContact CE-CD1 3.85Å; M239-I243 HydrophobicContact CE-CG1 3.83Å; M239-I243 HydrophobicContact SD-CD1 4.22Å; M239-I243 HydrophobicContact SD-CG1 4.24Å; I243-K245 PolarHBondContact O-N 3.04Å; I243-K245 VanDerWaalsContact O-N 3.15Å; I243-W248 HydrophobicContact CG2-CB 3.83Å; I243-W248 HydrophobicContact CG2-CG 3.93Å; I243-K396 PolarHBondContact N-O 3.45Å
244	N	73.9	Confident	81	Confident	111 Å²	111	84.8 Å²	84.8	59%	0.594	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-57.1	118.1	173.2	-174	-11.5	0	0	0	111.3	S246 W248	N244-S246 VanDerWaalsContact C-N 3.35Å; N244-S246 PolarHBondContact O-N 2.85Å; N244-S246 PolarHBondContact OD1-N 3.43Å; N244-S246 PolarHBondContact OD1-OG 3.43Å; N244-W248 WeakPolarHBondContact O-CB 3.13Å; N244-W248 PolarHBondContact O-N 3.26Å
245	K	68.4	Low	80.5	Confident	142 Å²	142	85.9 Å²	85.9	62%	0.617	43%	0.427	S	S	*	.	H	α-helix	trans	-60.4	-36.7	-170.6	-164.5	176.8	179.6	-177.4	0	113.2	I243 T249	I243-K245 PolarHBondContact O-N 3.04Å; I243-K245 VanDerWaalsContact O-N 3.15Å; K245-T249 VanDerWaalsContact O-CB 3.28Å; K245-T249 WeakPolarHBondContact O-CB 3.47Å; K245-T249 PolarHBondContact O-N 2.78Å; K245-T249 VanDerWaalsContact O-N 3.16Å; K245-T249 PolarHBondContact O-OG1 3.07Å
246	S	72.4	Confident	80	Confident	77 Å²	77	82.3 Å²	82.3	54%	0.538	42%	0.415	S	S	.	.	H	α-helix	trans	-71.5	-58.2	-174.1	57.7	0	0	0	0	112.4	N244 W248 T249 T250	N244-S246 VanDerWaalsContact C-N 3.35Å; N244-S246 PolarHBondContact O-N 2.85Å; N244-S246 PolarHBondContact OD1-N 3.43Å; N244-S246 PolarHBondContact OD1-OG 3.43Å; S246-W248 VanDerWaalsContact C-N 3.26Å; S246-W248 PolarHBondContact O-N 3.03Å; S246-T249 PolarHBondContact O-N 2.75Å; S246-T250 PolarHBondContact O-N 3.21Å; S246-T250 VanDerWaalsContact O-N 3.13Å; S246-T250 PolarHBondContact O-OG1 2.84Å
247	S	71.5	Confident	79.5	Confident	85 Å²	85	86.4 Å²	86.4	59%	0.594	44%	0.436	S	S	*	.	H	α-helix	trans	-55.7	-41.3	-179.8	173.8	0	0	0	0	112.2	F251	S247-F251 PolarHBondContact O-N 2.59Å; S247-F251 VanDerWaalsContact O-N 3.09Å
248	W	72.9	Confident	79.3	Confident	32 Å²	32	87.1 Å²	87.1	12%	0.121	44%	0.442	C	S	.	.	H	α-helix	trans	-73.7	-38.5	-176.9	-159	85.8	0	0	0	113.2	I243 N244 S246 T250 F251 L252 F392 M395	I243-W248 HydrophobicContact CG2-CB 3.83Å; I243-W248 HydrophobicContact CG2-CG 3.93Å; N244-W248 WeakPolarHBondContact O-CB 3.13Å; N244-W248 PolarHBondContact O-N 3.26Å; S246-W248 VanDerWaalsContact C-N 3.26Å; S246-W248 PolarHBondContact O-N 3.03Å; W248-T250 VanDerWaalsContact C-N 3.33Å; W248-T250 PolarHBondContact O-N 3.28Å; W248-F251 PolarHBondContact O-N 3.16Å; W248-L252 HydrophobicContact CD2-CG 4.4Å; W248-L252 HydrophobicContact CE3-CD1 3.77Å; W248-L252 HydrophobicContact CE3-CG 3.92Å; W248-L252 HydrophobicContact CH2-CD1 3.21Å; W248-L252 HydrophobicContact CH2-CD2 3.71Å; W248-L252 HydrophobicContact CH2-CG 3.41Å; W248-L252 VanDerWaalsContact CH2-CG 3.41Å; W248-L252 HydrophobicContact CZ2-CD1 4.2Å; W248-L252 HydrophobicContact CZ2-CD2 4.03Å; W248-L252 HydrophobicContact CZ2-CG 3.92Å; W248-L252 HydrophobicContact CZ3-CD1 2.98Å; W248-L252 HydrophobicContact CZ3-CD2 4.29Å; W248-L252 HydrophobicContact CZ3-CG 3.47Å; W248-L252 VanDerWaalsContact CZ3-CG 3.47Å; W248-L252 PolarHBondContact O-N 3.41Å; W248-F392 HydrophobicContact CH2-CB 4.11Å; W248-F392 HydrophobicContact CZ3-CB 4.44Å; W248-M395 HydrophobicContact CH2-CB 3.17Å; W248-M395 HydrophobicContact CH2-CE 4.2Å; W248-M395 HydrophobicContact CH2-CG 3.71Å; W248-M395 HydrophobicContact CH2-SD 3.4Å; W248-M395 WeakPolarHBondContact CH2-SD 3.48Å; W248-M395 HydrophobicContact CZ2-CB 3.38Å; W248-M395 HydrophobicContact CZ2-CE 3.58Å; W248-M395 HydrophobicContact CZ2-CG 3.95Å; W248-M395 HydrophobicContact CZ2-SD 3.42Å; W248-M395 WeakPolarHBondContact CZ2-SD 3.2Å; W248-M395 HydrophobicContact CZ3-CB 3.92Å
249	T	74.2	Confident	79.4	Confident	51 Å²	51	80.5 Å²	80.5	31%	0.313	41%	0.413	S	S	.	.	H	α-helix	trans	-62.7	-42.2	175	-56	0	0	0	0	110.5	K245 S246 L252 I253	K245-T249 VanDerWaalsContact O-CB 3.28Å; K245-T249 WeakPolarHBondContact O-CB 3.47Å; K245-T249 PolarHBondContact O-N 2.78Å; K245-T249 VanDerWaalsContact O-N 3.16Å; K245-T249 PolarHBondContact O-OG1 3.07Å; S246-T249 PolarHBondContact O-N 2.75Å; T249-L252 PolarHBondContact O-N 2.98Å; T249-I253 HydrophobicContact CG2-CD1 3.84Å; T249-I253 WeakPolarHBondContact O-CD1 3.26Å; T249-I253 VanDerWaalsContact O-CG1 3.26Å; T249-I253 WeakPolarHBondContact O-CG1 3.43Å; T249-I253 PolarHBondContact O-N 2.96Å
250	T	77.9	Confident	79.4	Confident	73 Å²	73	89.9 Å²	89.9	45%	0.448	45%	0.447	S	S	.	.	H	α-helix	trans	-60.6	-48.7	174.9	-54.1	0	0	0	0	111.9	S246 W248 L252 I253 E254	S246-T250 PolarHBondContact O-N 3.21Å; S246-T250 VanDerWaalsContact O-N 3.13Å; S246-T250 PolarHBondContact O-OG1 2.84Å; W248-T250 VanDerWaalsContact C-N 3.33Å; W248-T250 PolarHBondContact O-N 3.28Å; T250-L252 VanDerWaalsContact C-N 3.34Å; T250-L252 PolarHBondContact O-N 3.21Å; T250-I253 PolarHBondContact O-N 2.67Å; T250-E254 WeakPolarHBondContact O-CG 3.14Å; T250-E254 PolarHBondContact O-N 3.4Å
251	F	81.6	Confident	79.9	Confident	95 Å²	95	85 Å²	85	42%	0.417	42%	0.42	S	S	.	.	H	α-helix	trans	-57.9	-43	178.2	166.7	-101.2	0	0	0	113	S247 W248 T255 N342	S247-F251 PolarHBondContact O-N 2.59Å; S247-F251 VanDerWaalsContact O-N 3.09Å; W248-F251 PolarHBondContact O-N 3.16Å; F251-T255 WeakPolarHBondContact O-CB 3.46Å; F251-T255 PolarHBondContact O-N 3.4Å; F251-T255 PolarHBondContact O-OG1 2.75Å; F251-N342 WeakPolarHBondContact CE1-ND2 2.86Å
252	L	80.2	Confident	80.6	Confident	12 Å²	12	77.5 Å²	77.5	6%	0.063	39%	0.389	C	S	.	.	H	α-helix	trans	-64.5	-46.2	176.4	-90.3	-166.4	0	0	0	112.5	W248 T249 T250 E254 T255 A256 L389 F392	W248-L252 HydrophobicContact CD2-CG 4.4Å; W248-L252 HydrophobicContact CE3-CD1 3.77Å; W248-L252 HydrophobicContact CE3-CG 3.92Å; W248-L252 HydrophobicContact CH2-CD1 3.21Å; W248-L252 HydrophobicContact CH2-CD2 3.71Å; W248-L252 HydrophobicContact CH2-CG 3.41Å; W248-L252 VanDerWaalsContact CH2-CG 3.41Å; W248-L252 HydrophobicContact CZ2-CD1 4.2Å; W248-L252 HydrophobicContact CZ2-CD2 4.03Å; W248-L252 HydrophobicContact CZ2-CG 3.92Å; W248-L252 HydrophobicContact CZ3-CD1 2.98Å; W248-L252 HydrophobicContact CZ3-CD2 4.29Å; W248-L252 HydrophobicContact CZ3-CG 3.47Å; W248-L252 VanDerWaalsContact CZ3-CG 3.47Å; W248-L252 PolarHBondContact O-N 3.41Å; T249-L252 PolarHBondContact O-N 2.98Å; T250-L252 VanDerWaalsContact C-N 3.34Å; T250-L252 PolarHBondContact O-N 3.21Å; L252-E254 VanDerWaalsContact C-N 3.33Å; L252-E254 PolarHBondContact O-N 2.84Å; L252-T255 PolarHBondContact O-N 3.19Å; L252-A256 WeakPolarHBondContact O-CB 3.43Å; L252-A256 PolarHBondContact O-N 2.99Å; L252-L389 HydrophobicContact CB-CD2 4.17Å; L252-L389 HydrophobicContact CD1-CD2 4.4Å; L252-F392 HydrophobicContact CD1-CB 3.46Å; L252-F392 VanDerWaalsContact CD1-CB 3.46Å; L252-F392 HydrophobicContact CD1-CG 4.07Å; L252-F392 HydrophobicContact CD2-CB 4.38Å; L252-F392 HydrophobicContact CD2-CD1 4.39Å; L252-F392 HydrophobicContact CD2-CG 4.26Å
253	I	80	Confident	81.6	Confident	65 Å²	65	73 Å²	73	33%	0.333	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-49.1	179	-71.2	165.7	0	0	0	109.3	T249 T250 T255 A256 L257 L389	T249-I253 HydrophobicContact CG2-CD1 3.84Å; T249-I253 WeakPolarHBondContact O-CD1 3.26Å; T249-I253 VanDerWaalsContact O-CG1 3.26Å; T249-I253 WeakPolarHBondContact O-CG1 3.43Å; T249-I253 PolarHBondContact O-N 2.96Å; T250-I253 PolarHBondContact O-N 2.67Å; I253-T255 VanDerWaalsContact C-N 3.31Å; I253-T255 PolarHBondContact O-N 3.04Å; I253-A256 PolarHBondContact O-N 2.8Å; I253-L257 HydrophobicContact CG2-CD1 3.6Å; I253-L257 HydrophobicContact CG2-CG 4.24Å; I253-L257 WeakPolarHBondContact O-CB 3.2Å; I253-L257 VanDerWaalsContact O-CG 3.26Å; I253-L257 WeakPolarHBondContact O-CG 3.23Å; I253-L257 PolarHBondContact O-N 2.88Å; I253-L389 HydrophobicContact CG1-CD1 3.64Å
254	E	80.6	Confident	82.6	Confident	96 Å²	96	69.5 Å²	69.5	45%	0.449	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-40.1	177.1	-73.6	-177.6	-161.3	0	0	112.8	T250 L252 K258	T250-E254 WeakPolarHBondContact O-CG 3.14Å; T250-E254 PolarHBondContact O-N 3.4Å; L252-E254 VanDerWaalsContact C-N 3.33Å; L252-E254 PolarHBondContact O-N 2.84Å; E254-K258 WeakPolarHBondContact O-CD 3.37Å; E254-K258 VanDerWaalsContact O-CG 3.23Å; E254-K258 WeakPolarHBondContact O-CG 3.19Å; E254-K258 PolarHBondContact O-N 3.15Å
255	T	81.2	Confident	83.7	Confident	23 Å²	23	64.2 Å²	64.2	14%	0.141	31%	0.313	C	S	.	.	H	α-helix	trans	-70.1	-40.8	178	-58.6	0	0	0	0	111.2	F251 L252 I253 K258 K259	F251-T255 WeakPolarHBondContact O-CB 3.46Å; F251-T255 PolarHBondContact O-N 3.4Å; F251-T255 PolarHBondContact O-OG1 2.75Å; L252-T255 PolarHBondContact O-N 3.19Å; I253-T255 VanDerWaalsContact C-N 3.31Å; I253-T255 PolarHBondContact O-N 3.04Å; T255-K258 PolarHBondContact O-N 2.76Å; T255-K259 WeakPolarHBondContact O-CG 3.19Å
256	A	83.8	Confident	84.9	Confident	4 Å²	4	59.2 Å²	59.2	3%	0.033	29%	0.291	C	S	.	.	H	α-helix	trans	-67.7	-42.2	-179.8	0	0	0	0	0	112.3	L252 I253 K258 K259 M385 Y388 L389	L252-A256 WeakPolarHBondContact O-CB 3.43Å; L252-A256 PolarHBondContact O-N 2.99Å; I253-A256 PolarHBondContact O-N 2.8Å; A256-K258 VanDerWaalsContact C-N 3.26Å; A256-K258 PolarHBondContact O-N 2.84Å; A256-K259 PolarHBondContact O-N 2.85Å; A256-M385 HydrophobicContact CB-SD 4.37Å; A256-Y388 HydrophobicContact CB-CD1 4.29Å; A256-Y388 HydrophobicContact CB-CE1 3.78Å; A256-L389 HydrophobicContact CB-CD2 4.03Å
257	L	83.2	Confident	85.8	Confident	99 Å²	99	55.9 Å²	55.9	52%	0.518	27%	0.267	S	S	.	.	H	α-helix	trans	-64.3	-28.2	177.5	-74.7	169.1	0	0	0	113	I253 M385	I253-L257 HydrophobicContact CG2-CD1 3.6Å; I253-L257 HydrophobicContact CG2-CG 4.24Å; I253-L257 WeakPolarHBondContact O-CB 3.2Å; I253-L257 VanDerWaalsContact O-CG 3.26Å; I253-L257 WeakPolarHBondContact O-CG 3.23Å; I253-L257 PolarHBondContact O-N 2.88Å; L257-M385 HydrophobicContact CD2-CE 3.93Å; L257-M385 HydrophobicContact CD2-SD 3.32Å; L257-M385 WeakPolarHBondContact CD2-SD 3.45Å; L257-M385 HydrophobicContact CG-CE 4.48Å; L257-M385 HydrophobicContact CG-SD 3.64Å
258	K	86	Confident	86.5	Confident	140 Å²	140	56.6 Å²	56.6	61%	0.609	27%	0.273	S	S	*	.	H	α-helix	trans	-81.4	-16.9	179.3	-70.9	169.9	-170.7	168.6	0	113.5	E254 T255 A256 R260	E254-K258 WeakPolarHBondContact O-CD 3.37Å; E254-K258 VanDerWaalsContact O-CG 3.23Å; E254-K258 WeakPolarHBondContact O-CG 3.19Å; E254-K258 PolarHBondContact O-N 3.15Å; T255-K258 PolarHBondContact O-N 2.76Å; A256-K258 VanDerWaalsContact C-N 3.26Å; A256-K258 PolarHBondContact O-N 2.84Å; K258-R260 PolarHBondContact O-N 2.88Å
259	K	92.4	Very high	87.1	Confident	10 Å²	10	58.1 Å²	58.1	4%	0.043	28%	0.283	C	S	.	.			trans	-74.6	112.7	179.8	-70	164.4	-174.9	-80.2	0	110.6	T255 A256 R313 R314 E315 Y316 K317 N342	T255-K259 WeakPolarHBondContact O-CG 3.19Å; A256-K259 PolarHBondContact O-N 2.85Å; K259-R313 WeakPolarHBondContact CE-O 3.13Å; K259-R313 PolarHBondContact NZ-O 2.56Å; K259-R314 WeakPolarHBondContact CA-O 3.4Å; K259-R314 WeakPolarHBondContact CG-O 3.46Å; K259-E315 CarbonylContact C-O 3.57Å; K259-Y316 VanDerWaalsContact CD-O 3.27Å; K259-Y316 WeakPolarHBondContact CD-O 3.3Å; K259-Y316 PolarHBondContact NZ-O 2.96Å; K259-K317 HydrophobicContact CB-CG 3.92Å; K259-K317 HydrophobicContact CD-CG 4Å; K259-N342 WeakPolarHBondContact CE-O 3.47Å; K259-N342 PolarHBondContact NZ-O 2.75Å
260	R	88.3	Confident	87.7	Confident	227 Å²	227	57.8 Å²	57.8	86%	0.857	28%	0.283	S	S	*	.			trans	-99.7	-10.6	-178.5	-60.2	-63.5	-173.1	176.1	0.1	114.1	K258 E315	K258-R260 PolarHBondContact O-N 2.88Å; R260-E315 PolarHBondContact N-O 3.18Å
261	R	94.5	Very high	88.1	Confident	92 Å²	92	61.7 Å²	61.7	35%	0.347	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	149.3	-178.4	-56.6	-172.6	-174.6	-179.4	9.7	110.3	D290 Y292 E315 Y316 K317	R261-D290 IonicContact NH1-OD2 2.67Å; R261-Y292 PolarHBondContact NH1-OH 3.31Å; R261-E315 CarbonylContact C-O 3.58Å; R261-E315 WeakPolarHBondContact CA-O 3.49Å; R261-E315 WeakPolarHBondContact CB-O 3.28Å; R261-E315 HydrophobicContact CG-CB 4.37Å; R261-E315 IonicContact CZ-OE2 3Å; R261-E315 PolarHBondContact N-O 2.94Å; R261-E315 IonicContact NE-OE2 2.89Å; R261-E315 PolarHBondContact NE-OE2 3.38Å; R261-E315 IonicContact NH1-OE2 3.65Å; R261-E315 IonicContact NH2-OE2 3.16Å; R261-E315 PolarHBondContact NH2-OE2 3.48Å; R261-E315 VanDerWaalsContact NH2-OE2 3.16Å; R261-E315 VanDerWaalsContact O-O 3.05Å; R261-Y316 HydrophobicContact CB-CD1 3.57Å; R261-Y316 HydrophobicContact CB-CD2 4.41Å; R261-Y316 HydrophobicContact CB-CE1 3.43Å; R261-Y316 VanDerWaalsContact CB-CE1 3.43Å; R261-Y316 HydrophobicContact CB-CE2 4.3Å; R261-Y316 HydrophobicContact CB-CG 4.08Å; R261-Y316 WeakPolarHBondContact CD-OH 3.24Å; R261-Y316 HydrophobicContact CG-CE1 4.28Å; R261-Y316 PolarHBondContact NH1-OH 3.5Å; R261-Y316 VanDerWaalsContact O-CA 3.31Å; R261-Y316 WeakPolarHBondContact O-CA 3.33Å; R261-K317 PolarHBondContact O-N 3.21Å
262	L	95.5	Very high	88.6	Confident	25 Å²	25	57.5 Å²	57.5	13%	0.131	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-66	-166.8	-166.8	56	0	0	0	112.4	V287 K317 F318 R379 D382	L262-V287 HydrophobicContact CD2-CG2 3.38Å; L262-V287 HydrophobicContact CG-CG2 4.26Å; L262-K317 PolarHBondContact O-N 2.03Å; L262-F318 HydrophobicContact CD1-CD2 3.68Å; L262-F318 HydrophobicContact CD1-CE2 3.63Å; L262-F318 HydrophobicContact CG-CD2 4.22Å; L262-F318 PolarHBondContact O-N 3.45Å; L262-R379 HydrophobicContact CD2-CG 4.21Å; L262-D382 HydrophobicContact CD1-CB 3.64Å
263	V	98.4	Very high	89.1	Confident	1 Å²	1	58 Å²	58	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	128.8	-172.7	-166.7	0	0	0	0	111.3	V287 V289 D290 F318 L320 L378	V263-V287 HydrophobicContact CG2-CG1 4.36Å; V263-V287 HydrophobicContact CG2-CG2 4.18Å; V263-V289 HydrophobicContact CB-CB 4.41Å; V263-V289 HydrophobicContact CB-CG1 4.33Å; V263-V289 HydrophobicContact CB-CG2 4.06Å; V263-V289 HydrophobicContact CG1-CB 4.47Å; V263-V289 HydrophobicContact CG1-CG1 3.96Å; V263-V289 HydrophobicContact CG1-CG2 4.07Å; V263-V289 WeakPolarHBondContact O-CA 3.03Å; V263-D290 PolarHBondContact O-N 3.2Å; V263-F318 WeakPolarHBondContact CA-O 3.16Å; V263-F318 HydrophobicContact CG1-CB 4.44Å; V263-F318 HydrophobicContact CG2-CB 4.32Å; V263-L320 HydrophobicContact CG1-CD1 4.09Å; V263-L320 HydrophobicContact CG1-CD2 3.55Å; V263-L320 HydrophobicContact CG1-CG 3.6Å; V263-L378 HydrophobicContact CG2-CD1 3.87Å
264	A	97.6	Very high	89.6	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	149.2	171.1	0	0	0	0	0	111.8	F266 D290 L312 Y316 F318 F319 L320	A264-F266 HydrophobicContact CB-CE1 4.25Å; A264-D290 WeakPolarHBondContact CA-O 3.21Å; A264-L312 HydrophobicContact CB-CD1 3.79Å; A264-Y316 HydrophobicContact CB-CD1 3.45Å; A264-Y316 VanDerWaalsContact CB-CD1 3.45Å; A264-Y316 HydrophobicContact CB-CD2 3.98Å; A264-Y316 HydrophobicContact CB-CE1 3.66Å; A264-Y316 HydrophobicContact CB-CE2 4.17Å; A264-Y316 HydrophobicContact CB-CG 3.61Å; A264-F318 PolarHBondContact N-O 2.78Å; A264-F319 HydrophobicContact CB-CD2 4.4Å; A264-F319 CarbonylContact O-C 3.55Å; A264-F319 WeakPolarHBondContact O-CA 3.47Å; A264-L320 PolarHBondContact O-N 3.07Å
265	A	96.7	Very high	90.1	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	127.2	171.9	0	0	0	0	0	110.5	I267 V289 D290 V291 Y292 L320	A265-I267 HydrophobicContact CB-CD1 4.07Å; A265-I267 HydrophobicContact CB-CG1 4.24Å; A265-V289 HydrophobicContact CB-CG1 4.26Å; A265-D290 PolarHBondContact N-O 2.79Å; A265-V291 HydrophobicContact CB-CG2 4.38Å; A265-V291 CarbonylContact O-C 3.55Å; A265-V291 WeakPolarHBondContact O-CA 3.35Å; A265-Y292 PolarHBondContact O-N 3.22Å; A265-L320 HydrophobicContact CB-CB 3.88Å; A265-L320 HydrophobicContact CB-CD1 4.04Å; A265-L320 HydrophobicContact CB-CG 4.17Å
266	F	94.2	Very high	90.7	Very high	36 Å²	36	49.8 Å²	49.8	16%	0.158	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	108.8	-178.9	-71.8	20.7	0	0	0	109.4	A264 Y292 C308 L309 M311 L312 F319	A264-F266 HydrophobicContact CB-CE1 4.25Å; F266-Y292 CarbonylContact C-O 3.58Å; F266-Y292 WeakPolarHBondContact CA-O 3.37Å; F266-Y292 AromaticContact CD1-CD2 3.99Å; F266-Y292 HydrophobicContact CD1-CD2 3.99Å; F266-Y292 HydrophobicContact CD1-CG 4.1Å; F266-Y292 AromaticContact CE1-CD2 3.62Å; F266-Y292 HydrophobicContact CE1-CD2 3.62Å; F266-Y292 HydrophobicContact CE1-CE2 4.33Å; F266-Y292 AromaticContact CE1-CG 3.85Å; F266-Y292 HydrophobicContact CE1-CG 3.85Å; F266-C308 HydrophobicContact CE2-CB 3.75Å; F266-C308 HydrophobicContact CZ-CB 4.01Å; F266-L309 HydrophobicContact CE2-CD2 4.08Å; F266-M311 HydrophobicContact CE1-CE 4.3Å; F266-M311 HydrophobicContact CZ-CE 4Å; F266-L312 HydrophobicContact CZ-CB 4.25Å; F266-F319 HydrophobicContact CB-CE2 3.94Å; F266-F319 HydrophobicContact CB-CZ 4.08Å; F266-F319 AromaticContact CD1-CE2 3.78Å; F266-F319 HydrophobicContact CD1-CE2 3.78Å; F266-F319 HydrophobicContact CD2-CE2 4.44Å; F266-F319 HydrophobicContact CE1-CE2 4.39Å; F266-F319 AromaticContact CG-CE2 3.8Å; F266-F319 HydrophobicContact CG-CE2 3.8Å; F266-F319 HydrophobicContact CG-CZ 4.35Å
267	I	91.4	Very high	90.9	Very high	7 Å²	7	50.5 Å²	50.5	4%	0.036	24%	0.244	C	C	.	.			trans	-135.4	105.7	-166.2	-49.5	-176.8	0	0	0	110.1	A265 I280 V291 Y292 G293 G294 C295	A265-I267 HydrophobicContact CB-CD1 4.07Å; A265-I267 HydrophobicContact CB-CG1 4.24Å; I267-I280 HydrophobicContact CD1-CD1 3.19Å; I267-V291 HydrophobicContact CB-CG1 4.33Å; I267-V291 HydrophobicContact CD1-CG1 3.94Å; I267-V291 HydrophobicContact CG1-CG1 4.18Å; I267-Y292 PolarHBondContact N-O 3.35Å; I267-G293 CarbonylContact O-C 3.56Å; I267-G293 WeakPolarHBondContact O-CA 3.23Å; I267-G294 PolarHBondContact O-N 2.72Å; I267-C295 HydrophobicContact CB-CB 4.21Å; I267-C295 HydrophobicContact CG2-CB 3.77Å; I267-C295 VanDerWaalsContact CG2-SG 3.52Å; I267-C295 PolarHBondContact O-N 3.26Å
268	S	85.5	Confident	91.2	Very high	101 Å²	101	49.6 Å²	49.6	71%	0.706	24%	0.239	S	C	*	.			trans	-98.8	-37.9	174.9	53.5	0	0	0	0	113.2
269	N	85.6	Confident	91.5	Very high	63 Å²	63	43 Å²	43	34%	0.337	21%	0.21	S	C	.	.	S	Bend	trans	-91.5	113.3	179.1	-172.2	14.4	0	0	0	110.5	R276 C295	N269-R276 PolarHBondContact O-NH2 2.74Å; N269-C295 VanDerWaalsContact C-SG 3.59Å
270	C	86.5	Confident	91.7	Very high	45 Å²	45	42.8 Å²	42.8	30%	0.304	21%	0.209	S	C	.	.			trans	-91.9	151.6	-173.6	-44.8	0	0	0	0	113	E277 C295	C270-E277 WeakPolarHBondContact CA-OE1 3.13Å; C270-E277 VanDerWaalsContact CB-OE1 3.32Å; C270-E277 WeakPolarHBondContact CB-OE1 3.19Å; C270-C295 WeakPolarHBondContact CA-SG 3.14Å; C270-C295 HydrophobicContact CB-CB 4.01Å; C270-C295 WeakPolarHBondContact CB-SG 3.29Å; C270-C295 PolarHBondContact N-SG 2.95Å; C270-C295 VanDerWaalsContact SG-CA 3.5Å; C270-C295 WeakPolarHBondContact SG-CB 3.26Å; C270-C295 CovalentContact SG-SG 2.03Å; C270-C295 PolarHBondContact SG-SG 3.14Å
271	H	87.6	Confident	91.8	Very high	155 Å²	155	37.8 Å²	37.8	72%	0.718	19%	0.194	S	C	*	.	S	Bend	trans	51.7	48.6	-178.6	-49	98.6	0	0	0	114.3	E277	H271-E277 IonicContact CD2-OE2 3.06Å; H271-E277 PolarHBondContact N-OE1 3.08Å; H271-E277 IonicContact NE2-OE2 3.97Å
272	P	90.9	Very high	91.6	Very high	6 Å²	6	34.1 Å²	34.1	4%	0.039	18%	0.184	C	C	.	.			trans	-72.9	163.5	-177.7	36.9	-39.9	0	0	0	111.2	S274 A275 R276 N324	P272-S274 PolarHBondContact O-N 3.15Å; P272-A275 PolarHBondContact O-N 2.84Å; P272-R276 HydrophobicContact CG-CG 3.77Å; P272-N324 HydrophobicContact CB-CB 4.02Å; P272-N324 WeakPolarHBondContact CB-O 3.33Å
273	P	90.9	Very high	91.6	Very high	22 Å²	22	33 Å²	33	14%	0.143	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-27.2	-179.3	-27.6	33.5	0	0	0	115.4	H205 A275 N324 R447 D448	H205-P273 HydrophobicContact CB-CB 4.21Å; H205-P273 HydrophobicContact CB-CG 3.63Å; H205-P273 VanDerWaalsContact CD2-CB 3.43Å; H205-P273 WeakPolarHBondContact CD2-CB 3.37Å; P273-A275 PolarHBondContact O-N 3Å; P273-N324 WeakPolarHBondContact CD-O 3.03Å; P273-R447 CarbonylContact O-C 3.51Å; P273-R447 WeakPolarHBondContact O-CA 3.32Å; P273-D448 PolarHBondContact O-N 3.41Å
274	S	91.4	Very high	91.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.9	175	65.6	0	0	0	0	114.2	P272 R276 E323 N324 D448 Y449 G450	P272-S274 PolarHBondContact O-N 3.15Å; S274-R276 PolarHBondContact O-N 3.33Å; S274-R276 PolarHBondContact OG-N 2.93Å; S274-E323 WeakPolarHBondContact CB-O 3.49Å; S274-E323 PolarHBondContact OG-O 2.88Å; S274-N324 WeakPolarHBondContact CB-O 3.38Å; S274-N324 PolarHBondContact N-O 2.69Å; S274-N324 PolarHBondContact OG-O 2.66Å; S274-D448 CarbonylContact O-C 3.52Å; S274-Y449 PolarHBondContact O-N 3.46Å; S274-G450 PolarHBondContact O-N 3.38Å
275	A	91.4	Very high	91.1	Very high	9 Å²	9	43.3 Å²	43.3	7%	0.074	23%	0.226	C	C	.	.			trans	53.3	29.7	-170.5	0	0	0	0	0	114.1	P272 P273 E277 I278 D448 K451	P272-A275 PolarHBondContact O-N 2.84Å; P273-A275 PolarHBondContact O-N 3Å; A275-E277 PolarHBondContact O-N 2.73Å; A275-I278 HydrophobicContact CB-CD1 4.01Å; A275-I278 HydrophobicContact CB-CG1 4.29Å; A275-I278 WeakPolarHBondContact O-CB 3.48Å; A275-I278 PolarHBondContact O-N 3.19Å; A275-D448 HydrophobicContact CB-CB 4.38Å; A275-K451 HydrophobicContact CB-CB 4.31Å
276	R	93	Very high	91	Very high	3 Å²	3	46 Å²	46	1%	0.011	24%	0.238	C	C	.	.	H	α-helix	trans	-51	-34.1	-176.8	69.3	-179.5	176.4	-155.8	-14.2	114.5	N269 P272 S274 I278 Y279 I280 F322 N324 L348	N269-R276 PolarHBondContact O-NH2 2.74Å; P272-R276 HydrophobicContact CG-CG 3.77Å; S274-R276 PolarHBondContact O-N 3.33Å; S274-R276 PolarHBondContact OG-N 2.93Å; R276-I278 PolarHBondContact O-N 3.34Å; R276-Y279 WeakPolarHBondContact O-CB 3.44Å; R276-Y279 PolarHBondContact O-N 2.76Å; R276-Y279 VanDerWaalsContact O-N 3.16Å; R276-I280 HydrophobicContact CB-CD1 4.45Å; R276-I280 HydrophobicContact CG-CD1 4.31Å; R276-I280 WeakPolarHBondContact O-CD1 3.04Å; R276-I280 VanDerWaalsContact O-CG1 3.31Å; R276-I280 WeakPolarHBondContact O-CG1 2.97Å; R276-I280 PolarHBondContact O-N 3.09Å; R276-F322 HydrophobicContact CB-CB 3.89Å; R276-F322 HydrophobicContact CB-CD2 4.08Å; R276-F322 HydrophobicContact CB-CG 4.46Å; R276-F322 WeakPolarHBondContact CD-O 3.35Å; R276-F322 HydrophobicContact CG-CB 4.46Å; R276-F322 PolarHBondContact NH1-O 2.78Å; R276-N324 PolarHBondContact NH1-OD1 3.42Å; R276-N324 PolarHBondContact NH2-OD1 3.19Å; R276-L348 HydrophobicContact CB-CD1 3.99Å
277	E	88.5	Confident	91	Very high	20 Å²	20	44.5 Å²	44.5	9%	0.093	23%	0.232	C	C	.	.	H	α-helix	trans	-64.9	-29.6	-179.5	-68.7	175.2	-160.4	0	0	113.2	C270 H271 A275 Y279 I280 K281	C270-E277 WeakPolarHBondContact CA-OE1 3.13Å; C270-E277 VanDerWaalsContact CB-OE1 3.32Å; C270-E277 WeakPolarHBondContact CB-OE1 3.19Å; H271-E277 IonicContact CD2-OE2 3.06Å; H271-E277 PolarHBondContact N-OE1 3.08Å; H271-E277 IonicContact NE2-OE2 3.97Å; A275-E277 PolarHBondContact O-N 2.73Å; E277-Y279 VanDerWaalsContact C-N 3.34Å; E277-I280 PolarHBondContact O-N 3.13Å; E277-K281 WeakPolarHBondContact O-CB 3.35Å; E277-K281 VanDerWaalsContact O-CG 3.26Å; E277-K281 WeakPolarHBondContact O-CG 3.49Å; E277-K281 PolarHBondContact O-N 3.19Å
278	I	89.2	Confident	91.1	Very high	79 Å²	79	51.3 Å²	51.3	41%	0.405	26%	0.261	S	S	.	.	H	α-helix	trans	-67.4	-42.6	176.6	-55.3	-174.4	0	0	0	108.9	A275 R276 K281 A282 K451 I454	A275-I278 HydrophobicContact CB-CD1 4.01Å; A275-I278 HydrophobicContact CB-CG1 4.29Å; A275-I278 WeakPolarHBondContact O-CB 3.48Å; A275-I278 PolarHBondContact O-N 3.19Å; R276-I278 PolarHBondContact O-N 3.34Å; I278-K281 PolarHBondContact O-N 3.15Å; I278-A282 PolarHBondContact O-N 2.92Å; I278-K451 HydrophobicContact CD1-CB 4.25Å; I278-K451 HydrophobicContact CD1-CD 4.2Å; I278-K451 HydrophobicContact CD1-CG 4.47Å; I278-I454 HydrophobicContact CB-CD1 4.42Å; I278-I454 HydrophobicContact CG2-CD1 3.7Å
279	Y	92.1	Very high	91.7	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-64.7	-44.1	175	-160.5	-85	0	0	0	111.7	R276 E277 K281 A282 L283 F322 L348 A365 V371 L374 G450 I453 I454	R276-Y279 WeakPolarHBondContact O-CB 3.44Å; R276-Y279 PolarHBondContact O-N 2.76Å; R276-Y279 VanDerWaalsContact O-N 3.16Å; E277-Y279 VanDerWaalsContact C-N 3.34Å; Y279-K281 PolarHBondContact O-N 2.85Å; Y279-A282 PolarHBondContact O-N 3.23Å; Y279-L283 WeakPolarHBondContact O-CB 3.39Å; Y279-L283 PolarHBondContact O-N 2.84Å; Y279-F322 AromaticContact CD1-CE2 3.7Å; Y279-F322 HydrophobicContact CD1-CE2 3.7Å; Y279-F322 AromaticContact CD1-CZ 3.87Å; Y279-F322 HydrophobicContact CD1-CZ 3.87Å; Y279-F322 HydrophobicContact CE1-CE2 4.49Å; Y279-F322 HydrophobicContact CE1-CZ 4.22Å; Y279-F322 HydrophobicContact CG-CE2 4.35Å; Y279-L348 HydrophobicContact CG-CD2 4.2Å; Y279-A365 HydrophobicContact CE1-CB 3.77Å; Y279-A365 HydrophobicContact CE2-CB 4.47Å; Y279-A365 PolarHBondContact OH-O 3.23Å; Y279-V371 HydrophobicContact CD2-CG2 4.36Å; Y279-V371 HydrophobicContact CE1-CG1 4.32Å; Y279-V371 HydrophobicContact CE2-CG2 3.75Å; Y279-L374 HydrophobicContact CE1-CD2 3.78Å; Y279-G450 WeakPolarHBondContact CD2-O 3.45Å; Y279-I453 HydrophobicContact CD2-CD1 3.57Å; Y279-I453 HydrophobicContact CD2-CG1 3.51Å; Y279-I453 HydrophobicContact CE2-CB 4.45Å; Y279-I453 HydrophobicContact CE2-CD1 3.38Å; Y279-I453 HydrophobicContact CE2-CG1 3.47Å; Y279-I453 VanDerWaalsContact CE2-CG1 3.47Å; Y279-I453 HydrophobicContact CG-CD1 4.41Å; Y279-I454 HydrophobicContact CD2-CD1 4.22Å; Y279-I454 HydrophobicContact CD2-CG1 3.55Å; Y279-I454 HydrophobicContact CE2-CG1 4.05Å; Y279-I454 HydrophobicContact CG-CG1 4.4Å
280	I	95.8	Very high	92.3	Very high	5 Å²	5	44.2 Å²	44.2	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-62.3	-43.8	178.2	-66	157.4	0	0	0	111.2	I267 R276 E277 A282 L283 Q284 V289 V291 L320 F322	I267-I280 HydrophobicContact CD1-CD1 3.19Å; R276-I280 HydrophobicContact CB-CD1 4.45Å; R276-I280 HydrophobicContact CG-CD1 4.31Å; R276-I280 WeakPolarHBondContact O-CD1 3.04Å; R276-I280 VanDerWaalsContact O-CG1 3.31Å; R276-I280 WeakPolarHBondContact O-CG1 2.97Å; R276-I280 PolarHBondContact O-N 3.09Å; E277-I280 PolarHBondContact O-N 3.13Å; I280-A282 VanDerWaalsContact C-N 3.31Å; I280-A282 PolarHBondContact O-N 3.13Å; I280-L283 PolarHBondContact O-N 3.5Å; I280-L283 VanDerWaalsContact O-N 3.12Å; I280-Q284 HydrophobicContact CG2-CG 4.44Å; I280-Q284 WeakPolarHBondContact O-CG 2.99Å; I280-Q284 PolarHBondContact O-N 3.26Å; I280-V289 HydrophobicContact CG2-CG1 4.27Å; I280-V291 HydrophobicContact CG2-CG2 3.89Å; I280-L320 HydrophobicContact CG1-CD1 3.81Å; I280-L320 HydrophobicContact CG2-CD1 4.43Å; I280-F322 HydrophobicContact CD1-CD2 3.87Å; I280-F322 HydrophobicContact CD1-CE2 4.44Å; I280-F322 HydrophobicContact CG1-CD2 3.7Å; I280-F322 HydrophobicContact CG1-CE2 3.77Å
281	K	91.8	Very high	92.8	Very high	123 Å²	123	42.3 Å²	42.3	54%	0.535	20%	0.203	S	C	.	.	H	α-helix	trans	-62.3	-38.2	175.9	-77.2	174.1	-179.7	172.1	0	112.1	E277 I278 Y279	E277-K281 WeakPolarHBondContact O-CB 3.35Å; E277-K281 VanDerWaalsContact O-CG 3.26Å; E277-K281 WeakPolarHBondContact O-CG 3.49Å; E277-K281 PolarHBondContact O-N 3.19Å; I278-K281 PolarHBondContact O-N 3.15Å; Y279-K281 PolarHBondContact O-N 2.85Å
282	A	90.4	Very high	93.1	Very high	15 Å²	15	35.7 Å²	35.7	12%	0.124	17%	0.171	C	C	.	.	H	α-helix	trans	-66.1	-40.4	172.8	0	0	0	0	0	111.3	I278 Y279 I280 Q284 Q285 V371 I454	I278-A282 PolarHBondContact O-N 2.92Å; Y279-A282 PolarHBondContact O-N 3.23Å; I280-A282 VanDerWaalsContact C-N 3.31Å; I280-A282 PolarHBondContact O-N 3.13Å; A282-Q284 PolarHBondContact O-N 3.25Å; A282-Q285 WeakPolarHBondContact O-CB 3.34Å; A282-Q285 PolarHBondContact O-N 3.03Å; A282-V371 HydrophobicContact CB-CB 4.47Å; A282-V371 HydrophobicContact CB-CG1 4.06Å; A282-V371 HydrophobicContact CB-CG2 4.12Å; A282-I454 HydrophobicContact CB-CD1 4Å; A282-I454 HydrophobicContact CB-CG1 4.45Å
283	L	95.4	Very high	93	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-66.5	-37.4	178.6	-172.3	61.8	0	0	0	112	Y279 I280 Q285 H286 V287 V289 L320 V371 L374 A375	Y279-L283 WeakPolarHBondContact O-CB 3.39Å; Y279-L283 PolarHBondContact O-N 2.84Å; I280-L283 PolarHBondContact O-N 3.5Å; I280-L283 VanDerWaalsContact O-N 3.12Å; L283-Q285 PolarHBondContact O-N 2.79Å; L283-Q285 VanDerWaalsContact O-N 3.16Å; L283-H286 CarbonylContact O-C 3.59Å; L283-H286 PolarHBondContact O-N 2.93Å; L283-V287 HydrophobicContact CD1-CG1 3.64Å; L283-V287 HydrophobicContact CD2-CG1 4.41Å; L283-V287 HydrophobicContact CG-CG1 3.66Å; L283-V287 PolarHBondContact O-N 3.09Å; L283-V289 HydrophobicContact CB-CG2 4.49Å; L283-V289 HydrophobicContact CD2-CG2 4.08Å; L283-V289 HydrophobicContact CG-CG2 3.99Å; L283-L320 HydrophobicContact CD2-CD1 3.97Å; L283-L320 HydrophobicContact CD2-CD2 4.07Å; L283-V371 HydrophobicContact CB-CG1 3.76Å; L283-V371 HydrophobicContact CD1-CG1 3.8Å; L283-V371 HydrophobicContact CG-CG1 4.41Å; L283-L374 HydrophobicContact CD1-CD2 4.15Å; L283-L374 HydrophobicContact CD1-CG 4.29Å; L283-L374 HydrophobicContact CD2-CD2 4.29Å; L283-A375 HydrophobicContact CD1-CB 3.91Å
284	Q	95.6	Very high	92.8	Very high	79 Å²	79	38.4 Å²	38.4	37%	0.369	20%	0.204	S	C	.	.	H	α-helix	trans	-58.5	-23.6	174.1	-79.4	177.3	-38.6	0	0	113.8	I280 A282 H286 V287 V289	I280-Q284 HydrophobicContact CG2-CG 4.44Å; I280-Q284 WeakPolarHBondContact O-CG 2.99Å; I280-Q284 PolarHBondContact O-N 3.26Å; A282-Q284 PolarHBondContact O-N 3.25Å; Q284-H286 PolarHBondContact O-N 3.26Å; Q284-V287 WeakPolarHBondContact CA-O 3.33Å; Q284-V289 HydrophobicContact CG-CB 3.71Å; Q284-V289 HydrophobicContact CG-CG2 4.08Å; Q284-V289 PolarHBondContact NE2-O 2.93Å; Q284-V289 VanDerWaalsContact NE2-O 3.1Å
285	Q	90.4	Very high	92.6	Very high	139 Å²	139	40.1 Å²	40.1	65%	0.65	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-20	174.4	-61	179.3	1.2	0	0	112.6	A282 L283	A282-Q285 WeakPolarHBondContact O-CB 3.34Å; A282-Q285 PolarHBondContact O-N 3.03Å; L283-Q285 PolarHBondContact O-N 2.79Å; L283-Q285 VanDerWaalsContact O-N 3.16Å
286	H	93	Very high	92.4	Very high	57 Å²	57	40.8 Å²	40.8	26%	0.264	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	-19.7	-173.3	-59.9	-48.8	0	0	0	113.5	L283 Q284 A375 R379	L283-H286 CarbonylContact O-C 3.59Å; L283-H286 PolarHBondContact O-N 2.93Å; Q284-H286 PolarHBondContact O-N 3.26Å; H286-A375 HydrophobicContact CB-CB 3.37Å; H286-R379 PolarHBondContact O-NH1 2.76Å; H286-R379 PolarHBondContact O-NH2 2.86Å
287	V	93.9	Very high	92.3	Very high	5 Å²	5	45.8 Å²	45.8	3%	0.03	26%	0.257	C	S	.	.	S	Bend	trans	-151.1	148.5	175.5	63.6	0	0	0	0	110	L262 V263 L283 Q284 V289 A375	L262-V287 HydrophobicContact CD2-CG2 3.38Å; L262-V287 HydrophobicContact CG-CG2 4.26Å; V263-V287 HydrophobicContact CG2-CG1 4.36Å; V263-V287 HydrophobicContact CG2-CG2 4.18Å; L283-V287 HydrophobicContact CD1-CG1 3.64Å; L283-V287 HydrophobicContact CD2-CG1 4.41Å; L283-V287 HydrophobicContact CG-CG1 3.66Å; L283-V287 PolarHBondContact O-N 3.09Å; Q284-V287 WeakPolarHBondContact CA-O 3.33Å; V287-V289 HydrophobicContact CG1-CG2 4.02Å; V287-V289 PolarHBondContact O-N 2.81Å; V287-V289 VanDerWaalsContact O-N 3.17Å; V287-A375 HydrophobicContact CB-CB 3.95Å; V287-A375 HydrophobicContact CG1-CB 3.92Å
288	K	94.8	Very high	92.6	Very high	149 Å²	149	48.6 Å²	48.6	65%	0.648	27%	0.269	S	S	*	.			trans	-67	115.6	176.3	-175.2	176.5	177.4	179.8	0	109.7	D290	K288-D290 WeakPolarHBondContact CE-OD1 3.17Å
289	V	98	Very high	92.5	Very high	7 Å²	7	53.5 Å²	53.5	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	114.4	173.8	-174.5	0	0	0	0	109	V263 A265 I280 L283 Q284 V287 V291 L320	V263-V289 HydrophobicContact CB-CB 4.41Å; V263-V289 HydrophobicContact CB-CG1 4.33Å; V263-V289 HydrophobicContact CB-CG2 4.06Å; V263-V289 HydrophobicContact CG1-CB 4.47Å; V263-V289 HydrophobicContact CG1-CG1 3.96Å; V263-V289 HydrophobicContact CG1-CG2 4.07Å; V263-V289 WeakPolarHBondContact O-CA 3.03Å; A265-V289 HydrophobicContact CB-CG1 4.26Å; I280-V289 HydrophobicContact CG2-CG1 4.27Å; L283-V289 HydrophobicContact CB-CG2 4.49Å; L283-V289 HydrophobicContact CD2-CG2 4.08Å; L283-V289 HydrophobicContact CG-CG2 3.99Å; Q284-V289 HydrophobicContact CG-CB 3.71Å; Q284-V289 HydrophobicContact CG-CG2 4.08Å; Q284-V289 PolarHBondContact NE2-O 2.93Å; Q284-V289 VanDerWaalsContact NE2-O 3.1Å; V287-V289 HydrophobicContact CG1-CG2 4.02Å; V287-V289 PolarHBondContact O-N 2.81Å; V287-V289 VanDerWaalsContact O-N 3.17Å; V289-V291 HydrophobicContact CG1-CG2 4.18Å; V289-L320 HydrophobicContact CG1-CD1 3.75Å
290	D	97.9	Very high	92.4	Very high	8 Å²	8	55 Å²	55	4%	0.043	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	114.6	175.5	-64.3	-28.9	0	0	0	109.4	R261 V263 A264 A265 K288 Y292 F298 Y316	R261-D290 IonicContact NH1-OD2 2.67Å; V263-D290 PolarHBondContact O-N 3.2Å; A264-D290 WeakPolarHBondContact CA-O 3.21Å; A265-D290 PolarHBondContact N-O 2.79Å; K288-D290 WeakPolarHBondContact CE-OD1 3.17Å; D290-Y292 HydrophobicContact CB-CD2 4.44Å; D290-Y292 HydrophobicContact CB-CE2 3.8Å; D290-F298 HydrophobicContact CB-CD2 3.97Å; D290-F298 HydrophobicContact CB-CE2 3.79Å; D290-F298 WeakPolarHBondContact OD1-CE2 3.35Å; D290-Y316 HydrophobicContact CB-CE1 4.01Å; D290-Y316 VanDerWaalsContact CB-OH 3.27Å; D290-Y316 WeakPolarHBondContact CB-OH 3.31Å; D290-Y316 VanDerWaalsContact CG-OH 3.31Å; D290-Y316 WeakPolarHBondContact OD2-CE1 3.26Å; D290-Y316 PolarHBondContact OD2-OH 3.15Å
291	V	97.1	Very high	92	Very high	6 Å²	6	57.5 Å²	57.5	4%	0.036	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.7	-177.3	-173.6	0	0	0	0	109.6	A265 I267 I280 V289 G296 F298	A265-V291 HydrophobicContact CB-CG2 4.38Å; A265-V291 CarbonylContact O-C 3.55Å; A265-V291 WeakPolarHBondContact O-CA 3.35Å; I267-V291 HydrophobicContact CB-CG1 4.33Å; I267-V291 HydrophobicContact CD1-CG1 3.94Å; I267-V291 HydrophobicContact CG1-CG1 4.18Å; I280-V291 HydrophobicContact CG2-CG2 3.89Å; V289-V291 HydrophobicContact CG1-CG2 4.18Å; V291-G296 WeakPolarHBondContact O-CA 3.34Å; V291-F298 PolarHBondContact O-N 2.79Å
292	Y	94.4	Very high	91.5	Very high	15 Å²	15	61.8 Å²	61.8	6%	0.059	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	139.4	178.4	-69.4	-99.8	0	0	0	111.1	R261 A265 F266 I267 D290 F298 C300 M311 Y316	R261-Y292 PolarHBondContact NH1-OH 3.31Å; A265-Y292 PolarHBondContact O-N 3.22Å; F266-Y292 CarbonylContact C-O 3.58Å; F266-Y292 WeakPolarHBondContact CA-O 3.37Å; F266-Y292 AromaticContact CD1-CD2 3.99Å; F266-Y292 HydrophobicContact CD1-CD2 3.99Å; F266-Y292 HydrophobicContact CD1-CG 4.1Å; F266-Y292 AromaticContact CE1-CD2 3.62Å; F266-Y292 HydrophobicContact CE1-CD2 3.62Å; F266-Y292 HydrophobicContact CE1-CE2 4.33Å; F266-Y292 AromaticContact CE1-CG 3.85Å; F266-Y292 HydrophobicContact CE1-CG 3.85Å; I267-Y292 PolarHBondContact N-O 3.35Å; D290-Y292 HydrophobicContact CB-CD2 4.44Å; D290-Y292 HydrophobicContact CB-CE2 3.8Å; Y292-F298 CarbonylContact C-O 3.58Å; Y292-F298 VanDerWaalsContact CA-O 3.27Å; Y292-F298 WeakPolarHBondContact CA-O 3.43Å; Y292-F298 HydrophobicContact CD1-CB 3.45Å; Y292-F298 VanDerWaalsContact CD1-CB 3.45Å; Y292-F298 HydrophobicContact CD1-CG 4.45Å; Y292-F298 HydrophobicContact CD2-CB 4.23Å; Y292-F298 HydrophobicContact CE1-CB 3.56Å; Y292-F298 HydrophobicContact CE1-CG 4.16Å; Y292-F298 HydrophobicContact CE2-CB 4.32Å; Y292-F298 HydrophobicContact CE2-CD2 4.46Å; Y292-F298 HydrophobicContact CE2-CG 4.48Å; Y292-F298 HydrophobicContact CG-CB 3.8Å; Y292-C300 HydrophobicContact CD1-CB 4.38Å; Y292-M311 HydrophobicContact CD1-CE 4.18Å; Y292-M311 HydrophobicContact CD2-CE 4.35Å; Y292-M311 HydrophobicContact CE1-CE 3.55Å; Y292-M311 HydrophobicContact CE1-SD 3.94Å; Y292-M311 HydrophobicContact CE2-CE 3.74Å; Y292-M311 WeakPolarHBondContact OH-CE 3.48Å; Y292-M311 PolarHBondContact OH-SD 2.88Å; Y292-Y316 HydrophobicContact CE2-CE2 4.35Å; Y292-Y316 WeakPolarHBondContact CE2-OH 3.32Å; Y292-Y316 PolarHBondContact OH-OH 3.46Å; Y292-Y316 VanDerWaalsContact OH-OH 3.13Å
293	G	89.1	Confident	91.3	Very high	18 Å²	18	66.5 Å²	66.5	19%	0.186	37%	0.365	C	S	.	.	S	Bend	trans	114.6	-166.2	177	0	0	0	0	0	112.8	I267 C295 G296 F298	I267-G293 CarbonylContact O-C 3.56Å; I267-G293 WeakPolarHBondContact O-CA 3.23Å; G293-C295 PolarHBondContact O-N 3.1Å; G293-G296 PolarHBondContact O-N 3.32Å; G293-F298 PolarHBondContact N-O 3.08Å
294	G	85.3	Confident	91	Very high	67 Å²	67	70.2 Å²	70.2	69%	0.691	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-17.5	-173.4	0	0	0	0	0	115.2	I267	I267-G294 PolarHBondContact O-N 2.72Å
295	C	88.6	Confident	90.5	Very high	37 Å²	37	67.6 Å²	67.6	25%	0.25	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	7.7	-175.8	-38.8	0	0	0	0	113.3	I267 N269 C270 G293	I267-C295 HydrophobicContact CB-CB 4.21Å; I267-C295 HydrophobicContact CG2-CB 3.77Å; I267-C295 VanDerWaalsContact CG2-SG 3.52Å; I267-C295 PolarHBondContact O-N 3.26Å; N269-C295 VanDerWaalsContact C-SG 3.59Å; C270-C295 WeakPolarHBondContact CA-SG 3.14Å; C270-C295 HydrophobicContact CB-CB 4.01Å; C270-C295 WeakPolarHBondContact CB-SG 3.29Å; C270-C295 PolarHBondContact N-SG 2.95Å; C270-C295 VanDerWaalsContact SG-CA 3.5Å; C270-C295 WeakPolarHBondContact SG-CB 3.26Å; C270-C295 CovalentContact SG-SG 2.03Å; C270-C295 PolarHBondContact SG-SG 3.14Å; G293-C295 PolarHBondContact O-N 3.1Å
296	G	87.1	Confident	90.4	Very high	23 Å²	23	66.2 Å²	66.2	24%	0.237	37%	0.37	C	S	.	.	S	Bend	trans	-136.5	169.2	-178.4	0	0	0	0	0	112.7	V291 G293 F298	V291-G296 WeakPolarHBondContact O-CA 3.34Å; G293-G296 PolarHBondContact O-N 3.32Å; G296-F298 VanDerWaalsContact C-N 3.32Å
297	P	90.5	Very high	90.3	Very high	107 Å²	107	69.9 Å²	69.9	70%	0.695	39%	0.385	S	S	*	.	S	Bend	trans	-73.4	-24.3	-178.7	29.5	-34.5	0	0	0	112.9
298	F	93.6	Very high	90.3	Very high	80 Å²	80	70 Å²	70	35%	0.351	39%	0.386	S	S	.	.	B	Isolated β-bridge	trans	-90.3	144.4	178.7	-58.4	-73.8	0	0	0	110.9	D290 V291 Y292 G293 G296	D290-F298 HydrophobicContact CB-CD2 3.97Å; D290-F298 HydrophobicContact CB-CE2 3.79Å; D290-F298 WeakPolarHBondContact OD1-CE2 3.35Å; V291-F298 PolarHBondContact O-N 2.79Å; Y292-F298 CarbonylContact C-O 3.58Å; Y292-F298 VanDerWaalsContact CA-O 3.27Å; Y292-F298 WeakPolarHBondContact CA-O 3.43Å; Y292-F298 HydrophobicContact CD1-CB 3.45Å; Y292-F298 VanDerWaalsContact CD1-CB 3.45Å; Y292-F298 HydrophobicContact CD1-CG 4.45Å; Y292-F298 HydrophobicContact CD2-CB 4.23Å; Y292-F298 HydrophobicContact CE1-CB 3.56Å; Y292-F298 HydrophobicContact CE1-CG 4.16Å; Y292-F298 HydrophobicContact CE2-CB 4.32Å; Y292-F298 HydrophobicContact CE2-CD2 4.46Å; Y292-F298 HydrophobicContact CE2-CG 4.48Å; Y292-F298 HydrophobicContact CG-CB 3.8Å; G293-F298 PolarHBondContact N-O 3.08Å; G296-F298 VanDerWaalsContact C-N 3.32Å
299	K	88.9	Confident	90.1	Very high	182 Å²	182	63.6 Å²	63.6	79%	0.791	36%	0.358	S	S	*	.			trans	-103.1	142.6	179.6	-64.7	-177.1	-180	178.3	0	110.5
300	C	90.1	Very high	89.8	Confident	33 Å²	33	66 Å²	66	22%	0.223	37%	0.371	C	S	.	.			trans	-136.6	81.7	165.4	-179	0	0	0	0	107.9	Y292 C308	Y292-C300 HydrophobicContact CD1-CB 4.38Å; C300-C308 VanDerWaalsContact CA-SG 3.52Å; C300-C308 HydrophobicContact CB-CB 4.05Å; C300-C308 WeakPolarHBondContact CB-SG 3.28Å; C300-C308 WeakPolarHBondContact SG-CB 3.4Å; C300-C308 CovalentContact SG-SG 2.02Å; C300-C308 PolarHBondContact SG-SG 3.48Å
301	P	86.3	Confident	89.5	Confident	57 Å²	57	67.1 Å²	67.1	37%	0.37	38%	0.377	S	S	.	.			trans	-63.8	153.1	179.4	27	-32.2	0	0	0	110.4	S303 E304 G305	P301-S303 PolarHBondContact O-N 2.68Å; P301-S303 VanDerWaalsContact O-N 3.17Å; P301-E304 HydrophobicContact CG-CB 4.02Å; P301-E304 HydrophobicContact CG-CG 4.01Å; P301-E304 CarbonylContact O-C 3.59Å; P301-E304 PolarHBondContact O-N 2.67Å; P301-G305 PolarHBondContact O-N 2.94Å
302	K	81.9	Confident	89.3	Confident	214 Å²	214	66.9 Å²	66.9	93%	0.93	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-54.5	-37	-178.7	-73.2	-173.1	178.2	-176.5	0	112.5	E304 G305	K302-E304 PolarHBondContact O-N 3.26Å; K302-G305 PolarHBondContact O-N 2.69Å; K302-G305 VanDerWaalsContact O-N 3.1Å
303	S	86.1	Confident	89.2	Confident	113 Å²	113	70.5 Å²	70.5	79%	0.79	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-61.2	-25.3	176	52	0	0	0	0	113.8	P301	P301-S303 PolarHBondContact O-N 2.68Å; P301-S303 VanDerWaalsContact O-N 3.17Å
304	E	88.8	Confident	89.2	Confident	78 Å²	78	78.3 Å²	78.3	36%	0.364	41%	0.412	S	S	.	.	G	3₁₀ helix	trans	-105.4	12.6	177.4	-65.8	-166.4	-150.6	0	0	112.8	P301 K302 Q306 K307 C308	P301-E304 HydrophobicContact CG-CB 4.02Å; P301-E304 HydrophobicContact CG-CG 4.01Å; P301-E304 CarbonylContact O-C 3.59Å; P301-E304 PolarHBondContact O-N 2.67Å; K302-E304 PolarHBondContact O-N 3.26Å; E304-Q306 VanDerWaalsContact C-N 3.33Å; E304-Q306 PolarHBondContact O-N 3.4Å; E304-K307 HydrophobicContact CB-CB 4.37Å; E304-K307 WeakPolarHBondContact O-CA 3.4Å; E304-K307 WeakPolarHBondContact O-CB 3.39Å; E304-K307 PolarHBondContact O-N 2.9Å; E304-K307 IonicContact OE1-NZ 3.82Å; E304-K307 WeakPolarHBondContact OE2-CD 3.29Å; E304-K307 WeakPolarHBondContact OE2-CE 3.05Å; E304-K307 IonicContact OE2-NZ 2.71Å; E304-K307 PolarHBondContact OE2-NZ 3.26Å; E304-C308 PolarHBondContact O-N 3.47Å; E304-C308 PolarHBondContact O-SG 3.49Å
305	G	85.6	Confident	89.6	Confident	24 Å²	24	78 Å²	78	25%	0.247	39%	0.393	C	S	.	.	H	α-helix	trans	-50.4	-49.8	-175.1	0	0	0	0	0	113	P301 K302 K307 C308 L309	P301-G305 PolarHBondContact O-N 2.94Å; K302-G305 PolarHBondContact O-N 2.69Å; K302-G305 VanDerWaalsContact O-N 3.1Å; G305-K307 PolarHBondContact O-N 3.31Å; G305-C308 PolarHBondContact O-N 3.39Å; G305-L309 VanDerWaalsContact O-CG 3.29Å; G305-L309 WeakPolarHBondContact O-CG 3.41Å; G305-L309 PolarHBondContact O-N 3.01Å
306	Q	87.8	Confident	90	Very high	111 Å²	111	76.2 Å²	76.2	52%	0.519	38%	0.381	S	S	.	.	H	α-helix	trans	-64.7	-37.9	178.6	-170.6	62.4	35.1	0	0	112.7	E304 L309 N310 Y341	E304-Q306 VanDerWaalsContact C-N 3.33Å; E304-Q306 PolarHBondContact O-N 3.4Å; Q306-L309 PolarHBondContact O-N 3.32Å; Q306-N310 PolarHBondContact NE2-OD1 2.64Å; Q306-N310 WeakPolarHBondContact O-CB 3.39Å; Q306-N310 VanDerWaalsContact O-CG 3.24Å; Q306-N310 PolarHBondContact O-N 3.34Å; Q306-N310 PolarHBondContact O-ND2 2.89Å; Q306-Y341 PolarHBondContact NE2-OH 3.44Å; Q306-Y341 VanDerWaalsContact NE2-OH 3.07Å; Q306-Y341 PolarHBondContact OE1-OH 2.92Å
307	K	91.3	Very high	90.4	Very high	134 Å²	134	75.6 Å²	75.6	58%	0.583	37%	0.372	S	S	*	.	H	α-helix	trans	-63.5	-43.5	176.4	-179.7	-179.7	164.4	-156.5	0	110.8	E304 G305 L309 N310 M311	E304-K307 HydrophobicContact CB-CB 4.37Å; E304-K307 WeakPolarHBondContact O-CA 3.4Å; E304-K307 WeakPolarHBondContact O-CB 3.39Å; E304-K307 PolarHBondContact O-N 2.9Å; E304-K307 IonicContact OE1-NZ 3.82Å; E304-K307 WeakPolarHBondContact OE2-CD 3.29Å; E304-K307 WeakPolarHBondContact OE2-CE 3.05Å; E304-K307 IonicContact OE2-NZ 2.71Å; E304-K307 PolarHBondContact OE2-NZ 3.26Å; G305-K307 PolarHBondContact O-N 3.31Å; K307-L309 VanDerWaalsContact C-N 3.35Å; K307-L309 PolarHBondContact O-N 2.82Å; K307-N310 PolarHBondContact O-N 3.1Å; K307-M311 WeakPolarHBondContact O-CB 3.33Å; K307-M311 PolarHBondContact O-N 3.06Å
308	C	93.4	Very high	90.8	Very high	7 Å²	7	70.5 Å²	70.5	5%	0.047	34%	0.339	C	S	.	.	H	α-helix	trans	-64.1	-37.9	175.1	-55.1	0	0	0	0	112.7	F266 C300 E304 G305 M311 L312	F266-C308 HydrophobicContact CE2-CB 3.75Å; F266-C308 HydrophobicContact CZ-CB 4.01Å; C300-C308 VanDerWaalsContact CA-SG 3.52Å; C300-C308 HydrophobicContact CB-CB 4.05Å; C300-C308 WeakPolarHBondContact CB-SG 3.28Å; C300-C308 WeakPolarHBondContact SG-CB 3.4Å; C300-C308 CovalentContact SG-SG 2.02Å; C300-C308 PolarHBondContact SG-SG 3.48Å; E304-C308 PolarHBondContact O-N 3.47Å; E304-C308 PolarHBondContact O-SG 3.49Å; G305-C308 PolarHBondContact O-N 3.39Å; C308-M311 WeakPolarHBondContact O-CB 3.43Å; C308-M311 PolarHBondContact O-N 3.36Å; C308-L312 WeakPolarHBondContact O-CB 3.15Å; C308-L312 PolarHBondContact O-N 3.26Å
309	L	91	Very high	91	Very high	14 Å²	14	67 Å²	67	7%	0.073	32%	0.324	C	S	.	.	H	α-helix	trans	-71.2	-36	177.5	-63.3	174.9	0	0	0	111.9	F266 G305 Q306 K307 M311 L312 R313 R337 Y341	F266-L309 HydrophobicContact CE2-CD2 4.08Å; G305-L309 VanDerWaalsContact O-CG 3.29Å; G305-L309 WeakPolarHBondContact O-CG 3.41Å; G305-L309 PolarHBondContact O-N 3.01Å; Q306-L309 PolarHBondContact O-N 3.32Å; K307-L309 VanDerWaalsContact C-N 3.35Å; K307-L309 PolarHBondContact O-N 2.82Å; L309-M311 VanDerWaalsContact C-N 3.35Å; L309-L312 HydrophobicContact CD2-CD2 4.35Å; L309-L312 WeakPolarHBondContact O-CB 3.4Å; L309-L312 PolarHBondContact O-N 3.18Å; L309-R313 PolarHBondContact O-N 3.36Å; L309-R337 HydrophobicContact CD1-CG 4.36Å; L309-R337 HydrophobicContact CD2-CG 3.99Å; L309-Y341 HydrophobicContact CB-CD1 3.9Å; L309-Y341 HydrophobicContact CB-CE1 3.39Å; L309-Y341 HydrophobicContact CB-CE2 4.14Å; L309-Y341 HydrophobicContact CB-CG 4.47Å; L309-Y341 HydrophobicContact CD1-CE2 4.06Å; L309-Y341 WeakPolarHBondContact CD1-OH 3.37Å; L309-Y341 WeakPolarHBondContact O-CD1 3.25Å
310	N	90.8	Very high	91.5	Very high	58 Å²	58	58.7 Å²	58.7	31%	0.31	29%	0.288	S	S	.	.	H	α-helix	trans	-65.2	-39.1	171.1	-72.5	-17.9	0	0	0	111.8	Q306 K307 R313 R314	Q306-N310 PolarHBondContact NE2-OD1 2.64Å; Q306-N310 WeakPolarHBondContact O-CB 3.39Å; Q306-N310 VanDerWaalsContact O-CG 3.24Å; Q306-N310 PolarHBondContact O-N 3.34Å; Q306-N310 PolarHBondContact O-ND2 2.89Å; K307-N310 PolarHBondContact O-N 3.1Å; N310-R313 PolarHBondContact O-N 2.04Å; N310-R314 WeakPolarHBondContact O-CB 3.28Å; N310-R314 VanDerWaalsContact O-CG 3.31Å; N310-R314 WeakPolarHBondContact O-CG 3.41Å; N310-R314 PolarHBondContact O-N 3.26Å
311	M	93	Very high	91.8	Very high	32 Å²	32	57.2 Å²	57.2	16%	0.158	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-44.9	170.6	175.9	-159.6	74.6	0	0	110.8	F266 Y292 K307 C308 L309 R313 R314 E315 Y316	F266-M311 HydrophobicContact CE1-CE 4.3Å; F266-M311 HydrophobicContact CZ-CE 4Å; Y292-M311 HydrophobicContact CD1-CE 4.18Å; Y292-M311 HydrophobicContact CD2-CE 4.35Å; Y292-M311 HydrophobicContact CE1-CE 3.55Å; Y292-M311 HydrophobicContact CE1-SD 3.94Å; Y292-M311 HydrophobicContact CE2-CE 3.74Å; Y292-M311 WeakPolarHBondContact OH-CE 3.48Å; Y292-M311 PolarHBondContact OH-SD 2.88Å; K307-M311 WeakPolarHBondContact O-CB 3.33Å; K307-M311 PolarHBondContact O-N 3.06Å; C308-M311 WeakPolarHBondContact O-CB 3.43Å; C308-M311 PolarHBondContact O-N 3.36Å; L309-M311 VanDerWaalsContact C-N 3.35Å; M311-R313 VanDerWaalsContact C-N 3.33Å; M311-R313 PolarHBondContact O-N 3.09Å; M311-R314 PolarHBondContact O-N 3.28Å; M311-R314 VanDerWaalsContact O-N 3.17Å; M311-E315 HydrophobicContact CG-CG 4.3Å; M311-E315 WeakPolarHBondContact CG-OE1 3.02Å; M311-E315 WeakPolarHBondContact O-CB 3.48Å; M311-E315 PolarHBondContact O-N 3.46Å; M311-Y316 HydrophobicContact CE-CE2 4.01Å; M311-Y316 HydrophobicContact CG-CE2 4.45Å
312	L	92.9	Very high	92.3	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-55.7	-47.6	175.3	-177.6	67.5	0	0	0	111.1	A264 F266 C308 L309 R314 Y316 F319 V343	A264-L312 HydrophobicContact CB-CD1 3.79Å; F266-L312 HydrophobicContact CZ-CB 4.25Å; C308-L312 WeakPolarHBondContact O-CB 3.15Å; C308-L312 PolarHBondContact O-N 3.26Å; L309-L312 HydrophobicContact CD2-CD2 4.35Å; L309-L312 WeakPolarHBondContact O-CB 3.4Å; L309-L312 PolarHBondContact O-N 3.18Å; L312-R314 PolarHBondContact O-N 2.92Å; L312-Y316 HydrophobicContact CD1-CD2 4.38Å; L312-Y316 HydrophobicContact CD1-CG 4.36Å; L312-Y316 PolarHBondContact O-N 2.94Å; L312-F319 HydrophobicContact CD1-CB 4.27Å; L312-F319 HydrophobicContact CD1-CD2 3.62Å; L312-F319 HydrophobicContact CD1-CE2 4.41Å; L312-F319 HydrophobicContact CD1-CG 4.31Å; L312-F319 HydrophobicContact CD2-CD2 3.81Å; L312-F319 HydrophobicContact CD2-CE2 4.13Å; L312-F319 HydrophobicContact CD2-CG 4.26Å; L312-F319 HydrophobicContact CG-CD2 4.39Å; L312-V343 HydrophobicContact CD1-CG2 4.39Å; L312-V343 HydrophobicContact CG-CG2 3.94Å; L312-V343 WeakPolarHBondContact O-CG2 3.4Å
313	R	91.4	Very high	92.9	Very high	90 Å²	90	45.2 Å²	45.2	34%	0.34	22%	0.22	S	C	.	.	H	α-helix	trans	-61.3	-41	175.7	175.4	-178.4	-70.8	177.5	-2.9	113.3	K259 L309 N310 M311 Q340 Y341	K259-R313 WeakPolarHBondContact CE-O 3.13Å; K259-R313 PolarHBondContact NZ-O 2.56Å; L309-R313 PolarHBondContact O-N 3.36Å; N310-R313 PolarHBondContact O-N 2.04Å; M311-R313 VanDerWaalsContact C-N 3.33Å; M311-R313 PolarHBondContact O-N 3.09Å; R313-Q340 PolarHBondContact NH2-O 2.93Å; R313-Y341 VanDerWaalsContact CA-O 3.29Å; R313-Y341 WeakPolarHBondContact CA-O 3.27Å; R313-Y341 HydrophobicContact CB-CD1 3.94Å; R313-Y341 WeakPolarHBondContact CB-O 3.2Å; R313-Y341 WeakPolarHBondContact CG-O 3.48Å
314	R	89.8	Confident	93.3	Very high	182 Å²	182	40.8 Å²	40.8	69%	0.687	19%	0.187	S	C	*	.	H	α-helix	trans	-85.1	-32.7	-172.9	-70.3	176.6	-179.2	-136.5	0.7	113.6	K259 N310 M311 L312	K259-R314 WeakPolarHBondContact CA-O 3.4Å; K259-R314 WeakPolarHBondContact CG-O 3.46Å; N310-R314 WeakPolarHBondContact O-CB 3.28Å; N310-R314 VanDerWaalsContact O-CG 3.31Å; N310-R314 WeakPolarHBondContact O-CG 3.41Å; N310-R314 PolarHBondContact O-N 3.26Å; M311-R314 PolarHBondContact O-N 3.28Å; M311-R314 VanDerWaalsContact O-N 3.17Å; L312-R314 PolarHBondContact O-N 2.92Å
315	E	93.8	Very high	93.6	Very high	61 Å²	61	37 Å²	37	29%	0.285	17%	0.17	S	C	.	.	H	α-helix	trans	-110.7	-30	-164.8	-62.6	-176.3	-146.7	0	0	114	K259 R260 R261 M311	K259-E315 CarbonylContact C-O 3.57Å; R260-E315 PolarHBondContact N-O 3.18Å; R261-E315 CarbonylContact C-O 3.58Å; R261-E315 WeakPolarHBondContact CA-O 3.49Å; R261-E315 WeakPolarHBondContact CB-O 3.28Å; R261-E315 HydrophobicContact CG-CB 4.37Å; R261-E315 IonicContact CZ-OE2 3Å; R261-E315 PolarHBondContact N-O 2.94Å; R261-E315 IonicContact NE-OE2 2.89Å; R261-E315 PolarHBondContact NE-OE2 3.38Å; R261-E315 IonicContact NH1-OE2 3.65Å; R261-E315 IonicContact NH2-OE2 3.16Å; R261-E315 PolarHBondContact NH2-OE2 3.48Å; R261-E315 VanDerWaalsContact NH2-OE2 3.16Å; R261-E315 VanDerWaalsContact O-O 3.05Å; M311-E315 HydrophobicContact CG-CG 4.3Å; M311-E315 WeakPolarHBondContact CG-OE1 3.02Å; M311-E315 WeakPolarHBondContact O-CB 3.48Å; M311-E315 PolarHBondContact O-N 3.46Å
316	Y	97	Very high	93.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137.4	-169.4	-69.7	-88.9	0	0	0	113.9	K259 R261 A264 D290 Y292 M311 L312	K259-Y316 VanDerWaalsContact CD-O 3.27Å; K259-Y316 WeakPolarHBondContact CD-O 3.3Å; K259-Y316 PolarHBondContact NZ-O 2.96Å; R261-Y316 HydrophobicContact CB-CD1 3.57Å; R261-Y316 HydrophobicContact CB-CD2 4.41Å; R261-Y316 HydrophobicContact CB-CE1 3.43Å; R261-Y316 VanDerWaalsContact CB-CE1 3.43Å; R261-Y316 HydrophobicContact CB-CE2 4.3Å; R261-Y316 HydrophobicContact CB-CG 4.08Å; R261-Y316 WeakPolarHBondContact CD-OH 3.24Å; R261-Y316 HydrophobicContact CG-CE1 4.28Å; R261-Y316 PolarHBondContact NH1-OH 3.5Å; R261-Y316 VanDerWaalsContact O-CA 3.31Å; R261-Y316 WeakPolarHBondContact O-CA 3.33Å; A264-Y316 HydrophobicContact CB-CD1 3.45Å; A264-Y316 VanDerWaalsContact CB-CD1 3.45Å; A264-Y316 HydrophobicContact CB-CD2 3.98Å; A264-Y316 HydrophobicContact CB-CE1 3.66Å; A264-Y316 HydrophobicContact CB-CE2 4.17Å; A264-Y316 HydrophobicContact CB-CG 3.61Å; D290-Y316 HydrophobicContact CB-CE1 4.01Å; D290-Y316 VanDerWaalsContact CB-OH 3.27Å; D290-Y316 WeakPolarHBondContact CB-OH 3.31Å; D290-Y316 VanDerWaalsContact CG-OH 3.31Å; D290-Y316 WeakPolarHBondContact OD2-CE1 3.26Å; D290-Y316 PolarHBondContact OD2-OH 3.15Å; Y292-Y316 HydrophobicContact CE2-CE2 4.35Å; Y292-Y316 WeakPolarHBondContact CE2-OH 3.32Å; Y292-Y316 PolarHBondContact OH-OH 3.46Å; Y292-Y316 VanDerWaalsContact OH-OH 3.13Å; M311-Y316 HydrophobicContact CE-CE2 4.01Å; M311-Y316 HydrophobicContact CG-CE2 4.45Å; L312-Y316 HydrophobicContact CD1-CD2 4.38Å; L312-Y316 HydrophobicContact CD1-CG 4.36Å; L312-Y316 PolarHBondContact O-N 2.94Å
317	K	95.4	Very high	94.2	Very high	9 Å²	9	31 Å²	31	4%	0.039	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-37.2	174.3	-71.1	-172.8	-179.6	175.6	0	113.6	K259 R261 L262 V343 V344 D382 Y388	K259-K317 HydrophobicContact CB-CG 3.92Å; K259-K317 HydrophobicContact CD-CG 4Å; R261-K317 PolarHBondContact O-N 3.21Å; L262-K317 PolarHBondContact O-N 2.03Å; K317-V343 VanDerWaalsContact O-CG1 3.25Å; K317-V343 WeakPolarHBondContact O-CG1 3.39Å; K317-V344 PolarHBondContact O-N 2.84Å; K317-D382 VanDerWaalsContact CD-OD1 3.28Å; K317-D382 WeakPolarHBondContact CD-OD1 3.41Å; K317-D382 VanDerWaalsContact CE-OD1 3.27Å; K317-D382 WeakPolarHBondContact CE-OD1 3.44Å; K317-D382 PolarHBondContact NZ-O 3.39Å; K317-D382 IonicContact NZ-OD1 2.96Å; K317-D382 PolarHBondContact NZ-OD1 3.09Å; K317-Y388 HydrophobicContact CB-CE2 3.72Å; K317-Y388 HydrophobicContact CD-CE2 4.21Å; K317-Y388 HydrophobicContact CG-CE2 4.07Å; K317-Y388 PolarHBondContact O-OH 2.94Å
318	F	98.2	Very high	94.2	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	141.7	-176.6	-56.5	-76.8	0	0	0	112.3	L262 V263 A264 V343 V344 V346 I363 L378 L381 Y388	L262-F318 HydrophobicContact CD1-CD2 3.68Å; L262-F318 HydrophobicContact CD1-CE2 3.63Å; L262-F318 HydrophobicContact CG-CD2 4.22Å; L262-F318 PolarHBondContact O-N 3.45Å; V263-F318 WeakPolarHBondContact CA-O 3.16Å; V263-F318 HydrophobicContact CG1-CB 4.44Å; V263-F318 HydrophobicContact CG2-CB 4.32Å; A264-F318 PolarHBondContact N-O 2.78Å; F318-V343 VanDerWaalsContact C-CG1 3.48Å; F318-V344 WeakPolarHBondContact CA-O 3.34Å; F318-V344 HydrophobicContact CD1-CB 3.72Å; F318-V344 HydrophobicContact CD1-CG1 4.07Å; F318-V344 HydrophobicContact CD1-CG2 4.5Å; F318-V344 HydrophobicContact CE1-CB 3.93Å; F318-V344 HydrophobicContact CE1-CG1 4.13Å; F318-V344 HydrophobicContact CE1-CG2 4.29Å; F318-V346 HydrophobicContact CB-CG2 4.13Å; F318-V346 HydrophobicContact CD1-CG2 4.32Å; F318-I363 HydrophobicContact CD1-CD1 4.01Å; F318-I363 HydrophobicContact CE1-CD1 3.68Å; F318-L378 HydrophobicContact CD1-CD2 3.62Å; F318-L378 HydrophobicContact CD2-CB 4.33Å; F318-L378 HydrophobicContact CD2-CD2 4.02Å; F318-L378 HydrophobicContact CE1-CD2 3.74Å; F318-L378 HydrophobicContact CE2-CB 4.22Å; F318-L378 HydrophobicContact CE2-CD2 4.12Å; F318-L378 WeakPolarHBondContact CE2-O 2.83Å; F318-L378 HydrophobicContact CG-CD2 3.78Å; F318-L378 HydrophobicContact CZ-CD2 4Å; F318-L381 HydrophobicContact CE1-CD1 3.92Å; F318-L381 HydrophobicContact CZ-CB 3.7Å; F318-L381 HydrophobicContact CZ-CD1 3.82Å; F318-L381 HydrophobicContact CZ-CG 4.45Å; F318-Y388 HydrophobicContact CE1-CD2 4.24Å; F318-Y388 HydrophobicContact CE1-CE2 4.2Å; F318-Y388 AromaticContact CZ-CD2 3.87Å; F318-Y388 HydrophobicContact CZ-CD2 3.87Å; F318-Y388 HydrophobicContact CZ-CE2 4.05Å
319	F	98.1	Very high	94.3	Very high	8 Å²	8	28.2 Å²	28.2	4%	0.035	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.8	175.4	-179.4	-104	0	0	0	110.7	A264 F266 L312 A321 K334 V343 V344 P345 V346	A264-F319 HydrophobicContact CB-CD2 4.4Å; A264-F319 CarbonylContact O-C 3.55Å; A264-F319 WeakPolarHBondContact O-CA 3.47Å; F266-F319 HydrophobicContact CB-CE2 3.94Å; F266-F319 HydrophobicContact CB-CZ 4.08Å; F266-F319 AromaticContact CD1-CE2 3.78Å; F266-F319 HydrophobicContact CD1-CE2 3.78Å; F266-F319 HydrophobicContact CD2-CE2 4.44Å; F266-F319 HydrophobicContact CE1-CE2 4.39Å; F266-F319 AromaticContact CG-CE2 3.8Å; F266-F319 HydrophobicContact CG-CE2 3.8Å; F266-F319 HydrophobicContact CG-CZ 4.35Å; L312-F319 HydrophobicContact CD1-CB 4.27Å; L312-F319 HydrophobicContact CD1-CD2 3.62Å; L312-F319 HydrophobicContact CD1-CE2 4.41Å; L312-F319 HydrophobicContact CD1-CG 4.31Å; L312-F319 HydrophobicContact CD2-CD2 3.81Å; L312-F319 HydrophobicContact CD2-CE2 4.13Å; L312-F319 HydrophobicContact CD2-CG 4.26Å; L312-F319 HydrophobicContact CG-CD2 4.39Å; F319-A321 HydrophobicContact CD1-CB 4.01Å; F319-A321 HydrophobicContact CE1-CB 4.17Å; F319-A321 PolarHBondContact O-N 2.74Å; F319-K334 HydrophobicContact CE1-CB 4.19Å; F319-K334 WeakPolarHBondContact CE1-O 3.41Å; F319-V343 HydrophobicContact CB-CB 4.45Å; F319-V343 HydrophobicContact CB-CG1 3.72Å; F319-V344 PolarHBondContact N-O 3.2Å; F319-P345 WeakPolarHBondContact O-CA 3.37Å; F319-V346 PolarHBondContact O-N 2.72Å
320	L	98.1	Very high	94.6	Very high	6 Å²	6	27.8 Å²	27.8	3%	0.031	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	90.8	175.5	-53.8	-171.9	0	0	0	109.9	V263 A264 A265 I280 L283 V289 F322 V346	V263-L320 HydrophobicContact CG1-CD1 4.09Å; V263-L320 HydrophobicContact CG1-CD2 3.55Å; V263-L320 HydrophobicContact CG1-CG 3.6Å; A264-L320 PolarHBondContact O-N 3.07Å; A265-L320 HydrophobicContact CB-CB 3.88Å; A265-L320 HydrophobicContact CB-CD1 4.04Å; A265-L320 HydrophobicContact CB-CG 4.17Å; I280-L320 HydrophobicContact CG1-CD1 3.81Å; I280-L320 HydrophobicContact CG2-CD1 4.43Å; L283-L320 HydrophobicContact CD2-CD1 3.97Å; L283-L320 HydrophobicContact CD2-CD2 4.07Å; V289-L320 HydrophobicContact CG1-CD1 3.75Å; L320-F322 HydrophobicContact CB-CD1 4.22Å; L320-F322 HydrophobicContact CB-CD2 4.36Å; L320-F322 HydrophobicContact CB-CE1 4.32Å; L320-F322 HydrophobicContact CB-CE2 4.44Å; L320-F322 HydrophobicContact CB-CG 4.25Å; L320-F322 HydrophobicContact CB-CZ 4.44Å; L320-F322 HydrophobicContact CD1-CE2 4.18Å; L320-F322 HydrophobicContact CD1-CZ 4.44Å; L320-F322 HydrophobicContact CD2-CE1 4.37Å; L320-F322 HydrophobicContact CD2-CZ 4.19Å; L320-F322 PolarHBondContact O-N 3.39Å; L320-V346 CarbonylContact C-O 3.59Å; L320-V346 WeakPolarHBondContact CA-O 3.31Å; L320-V346 HydrophobicContact CD2-CB 3.63Å; L320-V346 HydrophobicContact CD2-CG1 3.97Å; L320-V346 HydrophobicContact CD2-CG2 4.06Å
321	A	96.8	Very high	94.7	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	11%	0.107	C	C	.	.			trans	-78.3	51.9	175.4	0	0	0	0	0	111.3	F319 K334 L335 P345 V346 V347	F319-A321 HydrophobicContact CD1-CB 4.01Å; F319-A321 HydrophobicContact CE1-CB 4.17Å; F319-A321 PolarHBondContact O-N 2.74Å; A321-K334 HydrophobicContact CB-CB 4.36Å; A321-L335 HydrophobicContact CB-CB 4.45Å; A321-L335 HydrophobicContact CB-CD1 3.95Å; A321-P345 HydrophobicContact CB-CB 4.22Å; A321-V346 PolarHBondContact N-O 3.17Å; A321-V347 HydrophobicContact CB-CG1 4.33Å
322	F	97.1	Very high	94.8	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.018	10%	0.1	C	C	.	.			trans	-83.7	118.4	-175.4	-69.8	-1.1	0	0	0	111.4	R276 Y279 I280 L320 V346 V347 L348 A365	R276-F322 HydrophobicContact CB-CB 3.89Å; R276-F322 HydrophobicContact CB-CD2 4.08Å; R276-F322 HydrophobicContact CB-CG 4.46Å; R276-F322 WeakPolarHBondContact CD-O 3.35Å; R276-F322 HydrophobicContact CG-CB 4.46Å; R276-F322 PolarHBondContact NH1-O 2.78Å; Y279-F322 AromaticContact CD1-CE2 3.7Å; Y279-F322 HydrophobicContact CD1-CE2 3.7Å; Y279-F322 AromaticContact CD1-CZ 3.87Å; Y279-F322 HydrophobicContact CD1-CZ 3.87Å; Y279-F322 HydrophobicContact CE1-CE2 4.49Å; Y279-F322 HydrophobicContact CE1-CZ 4.22Å; Y279-F322 HydrophobicContact CG-CE2 4.35Å; I280-F322 HydrophobicContact CD1-CD2 3.87Å; I280-F322 HydrophobicContact CD1-CE2 4.44Å; I280-F322 HydrophobicContact CG1-CD2 3.7Å; I280-F322 HydrophobicContact CG1-CE2 3.77Å; L320-F322 HydrophobicContact CB-CD1 4.22Å; L320-F322 HydrophobicContact CB-CD2 4.36Å; L320-F322 HydrophobicContact CB-CE1 4.32Å; L320-F322 HydrophobicContact CB-CE2 4.44Å; L320-F322 HydrophobicContact CB-CG 4.25Å; L320-F322 HydrophobicContact CB-CZ 4.44Å; L320-F322 HydrophobicContact CD1-CE2 4.18Å; L320-F322 HydrophobicContact CD1-CZ 4.44Å; L320-F322 HydrophobicContact CD2-CE1 4.37Å; L320-F322 HydrophobicContact CD2-CZ 4.19Å; L320-F322 PolarHBondContact O-N 3.39Å; F322-V346 VanDerWaalsContact CD1-O 3.31Å; F322-V346 WeakPolarHBondContact CD1-O 3.41Å; F322-V346 HydrophobicContact CE1-CG1 4.14Å; F322-V346 VanDerWaalsContact CE1-O 3.27Å; F322-V346 WeakPolarHBondContact CE1-O 3.45Å; F322-V346 HydrophobicContact CZ-CG1 4.49Å; F322-V347 VanDerWaalsContact CE1-C 3.46Å; F322-L348 HydrophobicContact CB-CD1 4.14Å; F322-L348 HydrophobicContact CB-CG 4.04Å; F322-L348 HydrophobicContact CD1-CB 4.44Å; F322-L348 HydrophobicContact CD1-CD2 4.17Å; F322-L348 HydrophobicContact CD1-CG 3.71Å; F322-L348 HydrophobicContact CD2-CD1 4.48Å; F322-L348 HydrophobicContact CD2-CD2 3.82Å; F322-L348 HydrophobicContact CD2-CG 3.94Å; F322-L348 HydrophobicContact CE1-CD2 4.09Å; F322-L348 HydrophobicContact CE1-CG 4.05Å; F322-L348 HydrophobicContact CE2-CD2 3.74Å; F322-L348 HydrophobicContact CE2-CG 4.28Å; F322-L348 HydrophobicContact CG-CD1 4.23Å; F322-L348 HydrophobicContact CG-CD2 4.04Å; F322-L348 HydrophobicContact CG-CG 3.63Å; F322-L348 HydrophobicContact CZ-CD2 3.87Å; F322-L348 HydrophobicContact CZ-CG 4.33Å; F322-A365 HydrophobicContact CE1-CB 4.47Å; F322-A365 HydrophobicContact CZ-CB 4.28Å
323	E	95.6	Very high	94.7	Very high	16 Å²	16	26 Å²	26	8%	0.075	11%	0.11	C	C	.	.			trans	-72.1	155.5	-176.7	-60.4	-59.8	171.2	0	0	113.9	S274 S325 Y330 T332	S274-E323 WeakPolarHBondContact CB-O 3.49Å; S274-E323 PolarHBondContact OG-O 2.88Å; E323-S325 VanDerWaalsContact CB-O 3.26Å; E323-S325 WeakPolarHBondContact CB-O 3.38Å; E323-S325 PolarHBondContact O-N 3.45Å; E323-Y330 HydrophobicContact CB-CD1 4.44Å; E323-Y330 HydrophobicContact CB-CE1 4.44Å; E323-T332 VanDerWaalsContact CD-OG1 3.23Å; E323-T332 PolarHBondContact OE1-N 3.02Å; E323-T332 PolarHBondContact OE1-OG1 3.2Å; E323-T332 VanDerWaalsContact OE1-OG1 3.1Å; E323-T332 WeakPolarHBondContact OE2-CB 3.42Å; E323-T332 WeakPolarHBondContact OE2-CG2 3.38Å; E323-T332 PolarHBondContact OE2-OG1 2.85Å
324	N	93.5	Very high	94.8	Very high	19 Å²	19	23.1 Å²	23.1	10%	0.102	10%	0.101	C	C	.	.	S	Bend	trans	-64.8	-33.8	174.3	-68.6	-13.5	0	0	0	111.2	P272 P273 S274 R276	P272-N324 HydrophobicContact CB-CB 4.02Å; P272-N324 WeakPolarHBondContact CB-O 3.33Å; P273-N324 WeakPolarHBondContact CD-O 3.03Å; S274-N324 WeakPolarHBondContact CB-O 3.38Å; S274-N324 PolarHBondContact N-O 2.69Å; S274-N324 PolarHBondContact OG-O 2.66Å; R276-N324 PolarHBondContact NH1-OD1 3.42Å; R276-N324 PolarHBondContact NH2-OD1 3.19Å
325	S	94.6	Very high	95.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.068	C	C	.	.	S	Bend	trans	-134.2	147.2	-179.7	-60.1	0	0	0	0	108.8	S203 E323 Y330	S203-S325 WeakPolarHBondContact OG-CB 3.42Å; S203-S325 PolarHBondContact OG-OG 3.02Å; E323-S325 VanDerWaalsContact CB-O 3.26Å; E323-S325 WeakPolarHBondContact CB-O 3.38Å; E323-S325 PolarHBondContact O-N 3.45Å; S325-Y330 WeakPolarHBondContact O-CD1 3.21Å
326	V	93	Very high	95.1	Very high	8 Å²	8	11.8 Å²	11.8	5%	0.048	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-105.7	91.9	173.3	-177.5	0	0	0	0	106.9	L348 I352 C445 L446 Y449	V326-L348 HydrophobicContact CG2-CD1 4.29Å; V326-I352 HydrophobicContact CG1-CG1 3.84Å; V326-C445 CarbonylContact O-C 3.5Å; V326-C445 VanDerWaalsContact O-CA 3.32Å; V326-C445 WeakPolarHBondContact O-CA 3.48Å; V326-L446 HydrophobicContact CB-CB 4.32Å; V326-L446 HydrophobicContact CG1-CB 4.48Å; V326-L446 HydrophobicContact CG1-CD1 4.29Å; V326-L446 PolarHBondContact O-N 2.91Å; V326-Y449 HydrophobicContact CB-CG 4.33Å; V326-Y449 HydrophobicContact CG1-CD1 4.24Å; V326-Y449 HydrophobicContact CG1-CG 4.17Å; V326-Y449 HydrophobicContact CG2-CD1 4.01Å; V326-Y449 HydrophobicContact CG2-CG 4.04Å
327	C	94	Very high	94.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	7%	0.073	C	C	.	.			trans	-126.9	158	-175.9	-55	0	0	0	0	110.7	D329 Y330 I352 C445	C327-D329 PolarHBondContact O-N 3.04Å; C327-Y330 PolarHBondContact O-N 2.97Å; C327-Y330 VanDerWaalsContact O-N 3.1Å; C327-I352 WeakPolarHBondContact O-CD1 3.44Å; C327-C445 HydrophobicContact CB-CB 4.04Å; C327-C445 WeakPolarHBondContact CB-SG 3.33Å; C327-C445 WeakPolarHBondContact SG-CB 3.36Å; C327-C445 CovalentContact SG-SG 2.03Å; C327-C445 PolarHBondContact SG-SG 3.1Å
328	K	91.4	Very high	94.6	Very high	73 Å²	73	16.1 Å²	16.1	32%	0.317	7%	0.071	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	126.3	171.4	-179	-175.9	175.1	-170.3	0	109.8	Y223 D226 Y330 G443	Y223-K328 WeakPolarHBondContact CE2-O 3.35Å; D226-K328 IonicContact OD2-NZ 3.91Å; D226-K328 PolarHBondContact OD2-NZ 2.95Å; K328-Y330 PolarHBondContact O-N 3.36Å; K328-G443 VanDerWaalsContact CB-O 3.28Å; K328-G443 WeakPolarHBondContact CB-O 3.05Å; K328-G443 PolarHBondContact N-O 2.86Å
329	D	94.9	Very high	94.3	Very high	10 Å²	10	16.2 Å²	16.2	5%	0.053	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	0.6	179.4	-53	-26	0	0	0	116.6	Y223 R225 C327 V331 F356	Y223-D329 HydrophobicContact CD2-CB 4.25Å; Y223-D329 WeakPolarHBondContact CD2-O 3.4Å; Y223-D329 HydrophobicContact CE2-CB 4.42Å; R225-D329 IonicContact CZ-OD1 2.72Å; R225-D329 PolarHBondContact N-OD2 2.98Å; R225-D329 VanDerWaalsContact N-OD2 3.08Å; R225-D329 IonicContact NE-OD1 3.51Å; R225-D329 PolarHBondContact NE-OD1 3.36Å; R225-D329 IonicContact NE-OD2 2.78Å; R225-D329 IonicContact NH2-OD1 3.48Å; R225-D329 PolarHBondContact NH2-OD1 3.28Å; C327-D329 PolarHBondContact O-N 3.04Å; D329-V331 PolarHBondContact O-N 3.09Å; D329-V331 VanDerWaalsContact O-N 3.13Å; D329-F356 HydrophobicContact CB-CZ 4.01Å; D329-F356 WeakPolarHBondContact O-CZ 3.08Å
330	Y	96.4	Very high	93.9	Very high	4 Å²	4	18.5 Å²	18.5	2%	0.016	8%	0.083	C	C	.	.			trans	-84	94.7	-176	-172.9	-107.3	0	0	0	111.7	Y223 Y233 E323 S325 C327 K328 T332	Y223-Y330 AromaticContact CD1-CD2 3.77Å; Y223-Y330 HydrophobicContact CD1-CD2 3.77Å; Y223-Y330 HydrophobicContact CD1-CE2 4.25Å; Y223-Y330 HydrophobicContact CD2-CD2 4.1Å; Y223-Y330 AromaticContact CE1-CD2 3.42Å; Y223-Y330 HydrophobicContact CE1-CD2 3.42Å; Y223-Y330 VanDerWaalsContact CE1-CD2 3.42Å; Y223-Y330 HydrophobicContact CE1-CE2 4.01Å; Y223-Y330 HydrophobicContact CE1-CG 4.43Å; Y223-Y330 AromaticContact CE2-CD2 3.85Å; Y223-Y330 HydrophobicContact CE2-CD2 3.85Å; Y223-Y330 HydrophobicContact CE2-CG 4.22Å; Y223-Y330 HydrophobicContact CG-CD2 4.1Å; Y223-Y330 AromaticContact CZ-CD2 3.51Å; Y233-Y330 HydrophobicContact CE2-CE2 4.37Å; E323-Y330 HydrophobicContact CB-CD1 4.44Å; E323-Y330 HydrophobicContact CB-CE1 4.44Å; S325-Y330 WeakPolarHBondContact O-CD1 3.21Å; C327-Y330 PolarHBondContact O-N 2.97Å; C327-Y330 VanDerWaalsContact O-N 3.1Å; K328-Y330 PolarHBondContact O-N 3.36Å; Y330-T332 HydrophobicContact CD1-CG2 4.47Å; Y330-T332 HydrophobicContact CE1-CG2 3.77Å; Y330-T332 HydrophobicContact CE2-CG2 3.95Å; Y330-T332 VanDerWaalsContact CZ-CG2 3.47Å
331	V	94.4	Very high	93.5	Very high	5 Å²	5	19.3 Å²	19.3	3%	0.03	9%	0.086	C	C	.	.			trans	-127.7	128.3	173.7	174.5	0	0	0	0	108.5	Y233 D329 L335 F336 I352 F356	Y233-V331 WeakPolarHBondContact CD2-O 3.46Å; D329-V331 PolarHBondContact O-N 3.09Å; D329-V331 VanDerWaalsContact O-N 3.13Å; V331-L335 HydrophobicContact CG1-CB 3.61Å; V331-L335 HydrophobicContact CG1-CD2 3.27Å; V331-L335 HydrophobicContact CG1-CG 4.05Å; V331-L335 HydrophobicContact CG2-CD2 4.49Å; V331-F336 HydrophobicContact CG1-CD2 4.47Å; V331-F336 HydrophobicContact CG1-CE2 3.67Å; V331-F336 HydrophobicContact CG1-CZ 3.96Å; V331-I352 HydrophobicContact CG2-CG2 3.89Å; V331-F356 HydrophobicContact CB-CD2 4.41Å; V331-F356 HydrophobicContact CG2-CD2 3.68Å; V331-F356 HydrophobicContact CG2-CE2 3.77Å; V331-F356 HydrophobicContact CG2-CG 4.22Å; V331-F356 HydrophobicContact CG2-CZ 4.34Å
332	T	94.4	Very high	93.2	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	9%	0.088	C	C	.	.			trans	-104.4	-178.3	-173.2	74	0	0	0	0	112.6	Y233 E323 Y330 K334 L335 F336	Y233-T332 HydrophobicContact CD2-CG2 4.23Å; Y233-T332 HydrophobicContact CE2-CG2 4.07Å; E323-T332 VanDerWaalsContact CD-OG1 3.23Å; E323-T332 PolarHBondContact OE1-N 3.02Å; E323-T332 PolarHBondContact OE1-OG1 3.2Å; E323-T332 VanDerWaalsContact OE1-OG1 3.1Å; E323-T332 WeakPolarHBondContact OE2-CB 3.42Å; E323-T332 WeakPolarHBondContact OE2-CG2 3.38Å; E323-T332 PolarHBondContact OE2-OG1 2.85Å; Y330-T332 HydrophobicContact CD1-CG2 4.47Å; Y330-T332 HydrophobicContact CE1-CG2 3.77Å; Y330-T332 HydrophobicContact CE2-CG2 3.95Å; Y330-T332 VanDerWaalsContact CZ-CG2 3.47Å; T332-K334 PolarHBondContact O-N 3.46Å; T332-K334 PolarHBondContact OG1-NZ 3.36Å; T332-K334 VanDerWaalsContact OG1-NZ 3.08Å; T332-L335 PolarHBondContact O-N 2.78Å; T332-F336 WeakPolarHBondContact O-CD2 3.23Å
333	E	91.2	Very high	93.1	Very high	47 Å²	47	19.7 Å²	19.7	22%	0.22	9%	0.087	C	C	.	.	H	α-helix	trans	-56.8	-21.9	178.7	72.9	-65.3	151.7	0	0	113.1	Y233 L335 F336 R337	Y233-E333 HydrophobicContact CD1-CB 4.44Å; Y233-E333 WeakPolarHBondContact CD1-OE2 3.3Å; Y233-E333 WeakPolarHBondContact CE1-OE2 3.4Å; E333-L335 VanDerWaalsContact C-N 3.29Å; E333-L335 PolarHBondContact O-N 3.28Å; E333-F336 PolarHBondContact O-N 3.26Å; E333-R337 WeakPolarHBondContact O-CB 3.04Å; E333-R337 PolarHBondContact O-N 3.08Å
334	K	92.8	Very high	93.2	Very high	31 Å²	31	19 Å²	19	14%	0.135	8%	0.084	C	C	.	.	H	α-helix	trans	-58.7	-41.7	179.3	-70.5	169.7	-154.8	62.9	0	111.7	F319 A321 T332 S338	F319-K334 HydrophobicContact CE1-CB 4.19Å; F319-K334 WeakPolarHBondContact CE1-O 3.41Å; A321-K334 HydrophobicContact CB-CB 4.36Å; T332-K334 PolarHBondContact O-N 3.46Å; T332-K334 PolarHBondContact OG1-NZ 3.36Å; T332-K334 VanDerWaalsContact OG1-NZ 3.08Å; K334-S338 PolarHBondContact O-N 3.37Å
335	L	95.5	Very high	93.4	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-66.7	-56.2	179.4	-170.6	60.7	0	0	0	110.7	A321 V331 T332 E333 R337 S338 P345 V347 A353 L357	A321-L335 HydrophobicContact CB-CB 4.45Å; A321-L335 HydrophobicContact CB-CD1 3.95Å; V331-L335 HydrophobicContact CG1-CB 3.61Å; V331-L335 HydrophobicContact CG1-CD2 3.27Å; V331-L335 HydrophobicContact CG1-CG 4.05Å; V331-L335 HydrophobicContact CG2-CD2 4.49Å; T332-L335 PolarHBondContact O-N 2.78Å; E333-L335 VanDerWaalsContact C-N 3.29Å; E333-L335 PolarHBondContact O-N 3.28Å; L335-R337 PolarHBondContact O-N 3.32Å; L335-S338 PolarHBondContact O-N 3.22Å; L335-S338 PolarHBondContact O-OG 3.39Å; L335-P345 HydrophobicContact CD1-CB 3.58Å; L335-P345 HydrophobicContact CD1-CG 3.96Å; L335-V347 HydrophobicContact CD1-CG1 3.36Å; L335-A353 HydrophobicContact CD2-CB 4.16Å; L335-L357 HydrophobicContact CD1-CD1 3.78Å; L335-L357 HydrophobicContact CD2-CD1 3.58Å; L335-L357 HydrophobicContact CD2-CD2 3.96Å; L335-L357 HydrophobicContact CD2-CG 3.73Å; L335-L357 HydrophobicContact CG-CD1 3.86Å; L335-L357 HydrophobicContact CG-CD2 4.21Å; L335-L357 HydrophobicContact CG-CG 4.33Å
336	F	94.8	Very high	93.6	Very high	3 Å²	3	18.1 Å²	18.1	1%	0.013	8%	0.08	C	C	.	.	H	α-helix	trans	-67.1	-35.1	-175.3	-57.5	-71.2	0	0	0	112.9	G234 V236 V331 T332 E333 S338 L339 Q340 F356 L357 V400	G234-F336 VanDerWaalsContact C-CZ 3.42Å; G234-F336 VanDerWaalsContact CA-CD2 3.48Å; G234-F336 WeakPolarHBondContact O-CE2 2.78Å; G234-F336 WeakPolarHBondContact O-CZ 3.29Å; V236-F336 HydrophobicContact CG2-CD1 4.37Å; V236-F336 HydrophobicContact CG2-CE1 4.39Å; V331-F336 HydrophobicContact CG1-CD2 4.47Å; V331-F336 HydrophobicContact CG1-CE2 3.67Å; V331-F336 HydrophobicContact CG1-CZ 3.96Å; T332-F336 WeakPolarHBondContact O-CD2 3.23Å; E333-F336 PolarHBondContact O-N 3.26Å; F336-S338 VanDerWaalsContact C-N 3.33Å; F336-S338 PolarHBondContact O-N 3.39Å; F336-L339 WeakPolarHBondContact O-CB 3.31Å; F336-L339 PolarHBondContact O-N 2.05Å; F336-Q340 WeakPolarHBondContact O-CG 3.39Å; F336-Q340 PolarHBondContact O-N 3.42Å; F336-F356 HydrophobicContact CE1-CB 4.41Å; F336-F356 HydrophobicContact CZ-CB 4.16Å; F336-F356 HydrophobicContact CZ-CD1 4.37Å; F336-L357 HydrophobicContact CE1-CD2 4.39Å; F336-V400 HydrophobicContact CB-CG1 3.85Å; F336-V400 HydrophobicContact CD1-CG1 4.19Å; F336-V400 HydrophobicContact CG-CG1 4.46Å
337	R	89.8	Confident	93.8	Very high	100 Å²	100	18.1 Å²	18.1	38%	0.377	8%	0.08	S	C	.	.	H	α-helix	trans	-65.3	-35.6	176.6	-168.4	180	-64.1	177.2	-5.2	111.9	L309 E333 L335 L339 Q340 Y341	L309-R337 HydrophobicContact CD1-CG 4.36Å; L309-R337 HydrophobicContact CD2-CG 3.99Å; E333-R337 WeakPolarHBondContact O-CB 3.04Å; E333-R337 PolarHBondContact O-N 3.08Å; L335-R337 PolarHBondContact O-N 3.32Å; R337-L339 VanDerWaalsContact C-N 3.3Å; R337-L339 PolarHBondContact O-N 2.79Å; R337-Q340 PolarHBondContact O-N 3.26Å; R337-Y341 HydrophobicContact CG-CD2 3.85Å; R337-Y341 HydrophobicContact CG-CE2 3.85Å; R337-Y341 WeakPolarHBondContact O-CD2 3.4Å; R337-Y341 PolarHBondContact O-N 2.76Å
338	S	91.7	Very high	93.9	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-61.5	-41.4	175.2	70.1	0	0	0	0	112.1	K334 L335 F336 Y341 N342 V343 P345	K334-S338 PolarHBondContact O-N 3.37Å; L335-S338 PolarHBondContact O-N 3.22Å; L335-S338 PolarHBondContact O-OG 3.39Å; F336-S338 VanDerWaalsContact C-N 3.33Å; F336-S338 PolarHBondContact O-N 3.39Å; S338-Y341 PolarHBondContact O-N 3.31Å; S338-N342 PolarHBondContact O-N 3.16Å; S338-V343 CarbonylContact C-O 3.6Å; S338-V343 PolarHBondContact O-N 3.4Å; S338-V343 VanDerWaalsContact O-O 3.11Å; S338-P345 VanDerWaalsContact OG-CB 3.23Å; S338-P345 WeakPolarHBondContact OG-CB 3.42Å; S338-P345 WeakPolarHBondContact OG-CG 3.39Å
339	L	92.5	Very high	94	Very high	2 Å²	2	15.2 Å²	15.2	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-65.4	-45.2	176.9	-60.8	176	0	0	0	112.2	V236 F336 R337 Y341 N342 P345 L357 W394 V400	V236-L339 HydrophobicContact CG2-CD1 3.9Å; F336-L339 WeakPolarHBondContact O-CB 3.31Å; F336-L339 PolarHBondContact O-N 2.05Å; R337-L339 VanDerWaalsContact C-N 3.3Å; R337-L339 PolarHBondContact O-N 2.79Å; L339-Y341 PolarHBondContact O-N 3.32Å; L339-N342 PolarHBondContact O-N 3.32Å; L339-N342 VanDerWaalsContact O-N 3.13Å; L339-P345 HydrophobicContact CD2-CG 3.6Å; L339-P345 HydrophobicContact CG-CG 4.2Å; L339-L357 HydrophobicContact CD1-CD2 3.37Å; L339-W394 HydrophobicContact CB-CH2 3.76Å; L339-W394 HydrophobicContact CB-CZ2 3.8Å; L339-W394 HydrophobicContact CD1-CH2 4.27Å; L339-W394 HydrophobicContact CD1-CZ2 4.37Å; L339-W394 HydrophobicContact CD2-CH2 4.26Å; L339-W394 HydrophobicContact CD2-CZ2 3.57Å; L339-W394 HydrophobicContact CG-CH2 4.31Å; L339-W394 HydrophobicContact CG-CZ2 4.1Å; L339-V400 HydrophobicContact CB-CG2 3.78Å; L339-V400 HydrophobicContact CD1-CG2 4.29Å
340	Q	89.4	Confident	94	Very high	56 Å²	56	18.5 Å²	18.5	26%	0.262	8%	0.08	S	C	.	.	H	α-helix	trans	-61.1	-24.1	177.2	-74.6	174.8	-17.7	0	0	114.1	R313 F336 R337 V400	R313-Q340 PolarHBondContact NH2-O 2.93Å; F336-Q340 WeakPolarHBondContact O-CG 3.39Å; F336-Q340 PolarHBondContact O-N 3.42Å; R337-Q340 PolarHBondContact O-N 3.26Å; Q340-V400 HydrophobicContact CG-CB 3.76Å; Q340-V400 HydrophobicContact CG-CG1 3.76Å; Q340-V400 HydrophobicContact CG-CG2 4.28Å
341	Y	90.8	Very high	93.7	Very high	24 Å²	24	22.4 Å²	22.4	9%	0.094	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	18.8	-179.1	-74.2	-97.2	0	0	0	112.3	Q306 L309 R313 R337 S338 L339 V343	Q306-Y341 PolarHBondContact NE2-OH 3.44Å; Q306-Y341 VanDerWaalsContact NE2-OH 3.07Å; Q306-Y341 PolarHBondContact OE1-OH 2.92Å; L309-Y341 HydrophobicContact CB-CD1 3.9Å; L309-Y341 HydrophobicContact CB-CE1 3.39Å; L309-Y341 HydrophobicContact CB-CE2 4.14Å; L309-Y341 HydrophobicContact CB-CG 4.47Å; L309-Y341 HydrophobicContact CD1-CE2 4.06Å; L309-Y341 WeakPolarHBondContact CD1-OH 3.37Å; L309-Y341 WeakPolarHBondContact O-CD1 3.25Å; R313-Y341 VanDerWaalsContact CA-O 3.29Å; R313-Y341 WeakPolarHBondContact CA-O 3.27Å; R313-Y341 HydrophobicContact CB-CD1 3.94Å; R313-Y341 WeakPolarHBondContact CB-O 3.2Å; R313-Y341 WeakPolarHBondContact CG-O 3.48Å; R337-Y341 HydrophobicContact CG-CD2 3.85Å; R337-Y341 HydrophobicContact CG-CE2 3.85Å; R337-Y341 WeakPolarHBondContact O-CD2 3.4Å; R337-Y341 PolarHBondContact O-N 2.76Å; S338-Y341 PolarHBondContact O-N 3.31Å; L339-Y341 PolarHBondContact O-N 3.32Å; Y341-V343 WeakPolarHBondContact O-CG2 3.27Å; Y341-V343 PolarHBondContact O-N 3.33Å
342	N	89.5	Confident	93.6	Very high	13 Å²	13	23.6 Å²	23.6	7%	0.07	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	49.7	175	-52.3	-18.8	0	0	0	111.8	F251 K259 S338 L339 F392 M395	F251-N342 WeakPolarHBondContact CE1-ND2 2.86Å; K259-N342 WeakPolarHBondContact CE-O 3.47Å; K259-N342 PolarHBondContact NZ-O 2.75Å; S338-N342 PolarHBondContact O-N 3.16Å; L339-N342 PolarHBondContact O-N 3.32Å; L339-N342 VanDerWaalsContact O-N 3.13Å; N342-F392 HydrophobicContact CB-CE1 4.43Å; N342-M395 WeakPolarHBondContact OD1-CE 3.25Å
343	V	94.7	Very high	93.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.114	C	C	.	.			trans	-128.9	139	176.7	-171.5	0	0	0	0	108.7	L312 K317 F318 F319 S338 Y341 P345	L312-V343 HydrophobicContact CD1-CG2 4.39Å; L312-V343 HydrophobicContact CG-CG2 3.94Å; L312-V343 WeakPolarHBondContact O-CG2 3.4Å; K317-V343 VanDerWaalsContact O-CG1 3.25Å; K317-V343 WeakPolarHBondContact O-CG1 3.39Å; F318-V343 VanDerWaalsContact C-CG1 3.48Å; F319-V343 HydrophobicContact CB-CB 4.45Å; F319-V343 HydrophobicContact CB-CG1 3.72Å; S338-V343 CarbonylContact C-O 3.6Å; S338-V343 PolarHBondContact O-N 3.4Å; S338-V343 VanDerWaalsContact O-O 3.11Å; Y341-V343 WeakPolarHBondContact O-CG2 3.27Å; Y341-V343 PolarHBondContact O-N 3.33Å; V343-P345 VanDerWaalsContact O-CD 3.28Å; V343-P345 WeakPolarHBondContact O-CD 3.47Å
344	V	97	Very high	93.7	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	119.7	178.7	-177.5	0	0	0	0	109.2	K317 F318 F319 I363 Y388 Y391 F392	K317-V344 PolarHBondContact O-N 2.84Å; F318-V344 WeakPolarHBondContact CA-O 3.34Å; F318-V344 HydrophobicContact CD1-CB 3.72Å; F318-V344 HydrophobicContact CD1-CG1 4.07Å; F318-V344 HydrophobicContact CD1-CG2 4.5Å; F318-V344 HydrophobicContact CE1-CB 3.93Å; F318-V344 HydrophobicContact CE1-CG1 4.13Å; F318-V344 HydrophobicContact CE1-CG2 4.29Å; F319-V344 PolarHBondContact N-O 3.2Å; V344-I363 HydrophobicContact CG1-CD1 3.93Å; V344-I363 HydrophobicContact CG1-CG1 4.01Å; V344-Y388 HydrophobicContact CG2-CD2 4.27Å; V344-Y388 HydrophobicContact CG2-CE2 3.67Å; V344-Y391 HydrophobicContact CG1-CD1 3.75Å; V344-Y391 HydrophobicContact CG1-CE1 4.33Å; V344-Y391 HydrophobicContact CG1-CG 3.91Å; V344-Y391 HydrophobicContact CG2-CG 4.11Å; V344-F392 HydrophobicContact CG2-CE1 4.34Å; V344-F392 HydrophobicContact CG2-CE2 3.62Å; V344-F392 HydrophobicContact CG2-CZ 3.48Å; V344-F392 VanDerWaalsContact CG2-CZ 3.48Å
345	P	98.3	Very high	93.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	135.4	174.5	13.1	-11.7	0	0	0	111.6	F319 A321 L335 S338 L339 V343 S361 F362 I363	F319-P345 WeakPolarHBondContact O-CA 3.37Å; A321-P345 HydrophobicContact CB-CB 4.22Å; L335-P345 HydrophobicContact CD1-CB 3.58Å; L335-P345 HydrophobicContact CD1-CG 3.96Å; S338-P345 VanDerWaalsContact OG-CB 3.23Å; S338-P345 WeakPolarHBondContact OG-CB 3.42Å; S338-P345 WeakPolarHBondContact OG-CG 3.39Å; L339-P345 HydrophobicContact CD2-CG 3.6Å; L339-P345 HydrophobicContact CG-CG 4.2Å; V343-P345 VanDerWaalsContact O-CD 3.28Å; V343-P345 WeakPolarHBondContact O-CD 3.47Å; P345-S361 WeakPolarHBondContact CD-O 3.07Å; P345-F362 HydrophobicContact CB-CB 4.35Å; P345-F362 HydrophobicContact CG-CB 3.78Å; P345-I363 PolarHBondContact O-N 3.31Å
346	V	98.7	Very high	93.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	115.9	163	-171.1	0	0	0	0	107.6	F318 F319 L320 A321 F322 I363 L374 L378	F318-V346 HydrophobicContact CB-CG2 4.13Å; F318-V346 HydrophobicContact CD1-CG2 4.32Å; F319-V346 PolarHBondContact O-N 2.72Å; L320-V346 CarbonylContact C-O 3.59Å; L320-V346 WeakPolarHBondContact CA-O 3.31Å; L320-V346 HydrophobicContact CD2-CB 3.63Å; L320-V346 HydrophobicContact CD2-CG1 3.97Å; L320-V346 HydrophobicContact CD2-CG2 4.06Å; A321-V346 PolarHBondContact N-O 3.17Å; F322-V346 VanDerWaalsContact CD1-O 3.31Å; F322-V346 WeakPolarHBondContact CD1-O 3.41Å; F322-V346 HydrophobicContact CE1-CG1 4.14Å; F322-V346 VanDerWaalsContact CE1-O 3.27Å; F322-V346 WeakPolarHBondContact CE1-O 3.45Å; F322-V346 HydrophobicContact CZ-CG1 4.49Å; V346-I363 CarbonylContact C-O 3.56Å; V346-I363 VanDerWaalsContact CA-O 3.24Å; V346-I363 WeakPolarHBondContact CA-O 3.37Å; V346-I363 HydrophobicContact CG1-CG2 4.33Å; V346-I363 HydrophobicContact CG2-CB 4.31Å; V346-L374 HydrophobicContact CG1-CD1 4.23Å; V346-L374 HydrophobicContact CG1-CD2 4.23Å; V346-L378 HydrophobicContact CG2-CD2 4.12Å
347	V	98.1	Very high	93.6	Very high	8 Å²	8	24.8 Å²	24.8	5%	0.048	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	160.9	-179.4	-59	0	0	0	0	110.9	A321 F322 L335 A353 F362 I363 A364 A365	A321-V347 HydrophobicContact CB-CG1 4.33Å; F322-V347 VanDerWaalsContact CE1-C 3.46Å; L335-V347 HydrophobicContact CD1-CG1 3.36Å; V347-A353 HydrophobicContact CB-CB 4.19Å; V347-A353 HydrophobicContact CG1-CB 3.95Å; V347-A353 HydrophobicContact CG2-CB 3.78Å; V347-F362 HydrophobicContact CG2-CD2 3.72Å; V347-F362 HydrophobicContact CG2-CE2 3.88Å; V347-I363 PolarHBondContact N-O 2.8Å; V347-A364 HydrophobicContact CG2-CB 3.74Å; V347-A365 VanDerWaalsContact O-CB 3.31Å; V347-A365 WeakPolarHBondContact O-CB 3.47Å; V347-A365 PolarHBondContact O-N 3.2Å
348	L	95.3	Very high	93.7	Very high	6 Å²	6	21 Å²	21	3%	0.031	12%	0.119	C	C	.	.	S	Bend	trans	-71.7	-38.3	174.6	-81	173.5	0	0	0	112.4	R276 Y279 F322 V326 D366 Y449 I453	R276-L348 HydrophobicContact CB-CD1 3.99Å; Y279-L348 HydrophobicContact CG-CD2 4.2Å; F322-L348 HydrophobicContact CB-CD1 4.14Å; F322-L348 HydrophobicContact CB-CG 4.04Å; F322-L348 HydrophobicContact CD1-CB 4.44Å; F322-L348 HydrophobicContact CD1-CD2 4.17Å; F322-L348 HydrophobicContact CD1-CG 3.71Å; F322-L348 HydrophobicContact CD2-CD1 4.48Å; F322-L348 HydrophobicContact CD2-CD2 3.82Å; F322-L348 HydrophobicContact CD2-CG 3.94Å; F322-L348 HydrophobicContact CE1-CD2 4.09Å; F322-L348 HydrophobicContact CE1-CG 4.05Å; F322-L348 HydrophobicContact CE2-CD2 3.74Å; F322-L348 HydrophobicContact CE2-CG 4.28Å; F322-L348 HydrophobicContact CG-CD1 4.23Å; F322-L348 HydrophobicContact CG-CD2 4.04Å; F322-L348 HydrophobicContact CG-CG 3.63Å; F322-L348 HydrophobicContact CZ-CD2 3.87Å; F322-L348 HydrophobicContact CZ-CG 4.33Å; V326-L348 HydrophobicContact CG2-CD1 4.29Å; L348-D366 PolarHBondContact O-N 3.1Å; L348-Y449 HydrophobicContact CB-CD1 4.2Å; L348-Y449 HydrophobicContact CB-CE1 4.47Å; L348-I453 HydrophobicContact CD2-CD1 3.94Å
349	S	94.8	Very high	93.5	Very high	6 Å²	6	27.9 Å²	27.9	4%	0.042	16%	0.156	C	C	.	.			trans	-134.6	127.8	-174.2	-172.5	0	0	0	0	114.5	S351 A353 D366 Y449	S349-S351 PolarHBondContact OG-OG 3.48Å; S349-A353 PolarHBondContact O-N 2.81Å; S349-D366 WeakPolarHBondContact CA-OD1 3.4Å; S349-D366 WeakPolarHBondContact CA-OD2 3.32Å; S349-D366 WeakPolarHBondContact CB-OD2 3.47Å; S349-D366 PolarHBondContact OG-OD2 3.2Å; S349-Y449 PolarHBondContact OG-OH 3.05Å
350	R	93.9	Very high	93.5	Very high	79 Å²	79	29.9 Å²	29.9	30%	0.298	18%	0.177	S	C	.	.	H	α-helix	trans	-62.4	-46.4	176.1	178.5	161.5	-70.3	-75.9	-4.8	112.4	I352 A353 A354 F362 A364 D366 D367	R350-I352 PolarHBondContact O-N 3.07Å; R350-A353 PolarHBondContact O-N 3.2Å; R350-A354 HydrophobicContact CG-CB 4.31Å; R350-A354 WeakPolarHBondContact O-CB 3.33Å; R350-A354 PolarHBondContact O-N 2.85Å; R350-F362 HydrophobicContact CG-CE2 4.49Å; R350-F362 HydrophobicContact CG-CZ 4.33Å; R350-F362 VanDerWaalsContact NH1-CZ 3.32Å; R350-A364 HydrophobicContact CB-CB 3.58Å; R350-D366 PolarHBondContact N-OD1 3.3Å; R350-D366 PolarHBondContact N-OD2 2.98Å; R350-D367 VanDerWaalsContact CD-OD1 3.31Å; R350-D367 WeakPolarHBondContact CD-OD1 3.4Å; R350-D367 IonicContact CZ-OD1 2.64Å; R350-D367 IonicContact CZ-OD2 2.65Å; R350-D367 IonicContact NE-OD1 3.65Å; R350-D367 PolarHBondContact NE-OD1 3.46Å; R350-D367 IonicContact NE-OD2 3.55Å; R350-D367 PolarHBondContact NE-OD2 2.9Å; R350-D367 IonicContact NH2-OD2 2.84Å; R350-D367 PolarHBondContact NH2-OD2 3.15Å
351	S	89.8	Confident	93.7	Very high	87 Å²	87	27.2 Å²	27.2	61%	0.608	16%	0.164	S	C	*	.	H	α-helix	trans	-64	-28	-174.5	62.2	0	0	0	0	113	S349 P355	S349-S351 PolarHBondContact OG-OG 3.48Å; S351-P355 WeakPolarHBondContact O-CD 3.38Å
352	I	93.4	Very high	94.1	Very high	29 Å²	29	26.2 Å²	26.2	15%	0.149	16%	0.16	C	C	.	.	H	α-helix	trans	-79	-41.5	175.3	-60.3	-50.8	0	0	0	112	V326 C327 V331 R350 F356	V326-I352 HydrophobicContact CG1-CG1 3.84Å; C327-I352 WeakPolarHBondContact O-CD1 3.44Å; V331-I352 HydrophobicContact CG2-CG2 3.89Å; R350-I352 PolarHBondContact O-N 3.07Å; I352-F356 VanDerWaalsContact O-CD2 3.23Å; I352-F356 WeakPolarHBondContact O-CD2 3.2Å; I352-F356 VanDerWaalsContact O-CE2 3.24Å; I352-F356 WeakPolarHBondContact O-CE2 3.42Å
353	A	94.3	Very high	94.5	Very high	3 Å²	3	25.7 Å²	25.7	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-86.7	-35.4	-174.1	0	0	0	0	0	114.3	L335 V347 S349 R350 P355 F356 L357 F362	L335-A353 HydrophobicContact CD2-CB 4.16Å; V347-A353 HydrophobicContact CB-CB 4.19Å; V347-A353 HydrophobicContact CG1-CB 3.95Å; V347-A353 HydrophobicContact CG2-CB 3.78Å; S349-A353 PolarHBondContact O-N 2.81Å; R350-A353 PolarHBondContact O-N 3.2Å; A353-P355 VanDerWaalsContact C-CD 3.42Å; A353-P355 VanDerWaalsContact C-N 3.35Å; A353-F356 PolarHBondContact O-N 2.62Å; A353-L357 PolarHBondContact O-N 2.87Å; A353-F362 HydrophobicContact CB-CD2 4.27Å; A353-F362 HydrophobicContact CB-CE2 3.89Å; A353-F362 HydrophobicContact CB-CZ 4.22Å
354	A	93.7	Very high	94.6	Very high	30 Å²	30	25.7 Å²	25.7	25%	0.248	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-54.3	-39.4	-174	0	0	0	0	0	114.3	R350 F356 L357 F362	R350-A354 HydrophobicContact CG-CB 4.31Å; R350-A354 WeakPolarHBondContact O-CB 3.33Å; R350-A354 PolarHBondContact O-N 2.85Å; A354-F356 PolarHBondContact O-N 3.16Å; A354-F356 VanDerWaalsContact O-N 3.09Å; A354-L357 PolarHBondContact O-N 3.45Å; A354-L357 VanDerWaalsContact O-O 3.05Å; A354-F362 HydrophobicContact CB-CE1 4.4Å; A354-F362 HydrophobicContact CB-CZ 3.91Å
355	P	92.8	Very high	94.6	Very high	56 Å²	56	25.6 Å²	25.6	36%	0.364	16%	0.157	S	C	.	.	G	3₁₀ helix	trans	-64.7	-13.8	178.9	-23.6	35.6	0	0	0	115.3	S351 A353	S351-P355 WeakPolarHBondContact O-CD 3.38Å; A353-P355 VanDerWaalsContact C-CD 3.42Å; A353-P355 VanDerWaalsContact C-N 3.35Å
356	F	93.4	Very high	94.3	Very high	8 Å²	8	27.6 Å²	27.6	4%	0.035	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-107.8	-10.8	-175	-59.5	-93.2	0	0	0	113.1	Y230 W235 D329 V331 F336 I352 A353 A354	Y230-F356 VanDerWaalsContact OH-CE1 3.25Å; Y230-F356 WeakPolarHBondContact OH-CE1 3.23Å; W235-F356 HydrophobicContact CE3-CD1 4.21Å; W235-F356 AromaticContact CZ3-CD1 3.8Å; W235-F356 HydrophobicContact CZ3-CD1 3.8Å; W235-F356 HydrophobicContact CZ3-CE1 4.34Å; D329-F356 HydrophobicContact CB-CZ 4.01Å; D329-F356 WeakPolarHBondContact O-CZ 3.08Å; V331-F356 HydrophobicContact CB-CD2 4.41Å; V331-F356 HydrophobicContact CG2-CD2 3.68Å; V331-F356 HydrophobicContact CG2-CE2 3.77Å; V331-F356 HydrophobicContact CG2-CG 4.22Å; V331-F356 HydrophobicContact CG2-CZ 4.34Å; F336-F356 HydrophobicContact CE1-CB 4.41Å; F336-F356 HydrophobicContact CZ-CB 4.16Å; F336-F356 HydrophobicContact CZ-CD1 4.37Å; I352-F356 VanDerWaalsContact O-CD2 3.23Å; I352-F356 WeakPolarHBondContact O-CD2 3.2Å; I352-F356 VanDerWaalsContact O-CE2 3.24Å; I352-F356 WeakPolarHBondContact O-CE2 3.42Å; A353-F356 PolarHBondContact O-N 2.62Å; A354-F356 PolarHBondContact O-N 3.16Å; A354-F356 VanDerWaalsContact O-N 3.09Å
357	L	93.6	Very high	93.9	Very high	11 Å²	11	31.2 Å²	31.2	6%	0.058	19%	0.187	C	C	.	.	S	Bend	trans	-129	143.6	-167.4	-68.4	-166.2	0	0	0	111.4	V236 L335 F336 L339 A353 A354 F362	V236-L357 HydrophobicContact CG2-CD2 3.86Å; L335-L357 HydrophobicContact CD1-CD1 3.78Å; L335-L357 HydrophobicContact CD2-CD1 3.58Å; L335-L357 HydrophobicContact CD2-CD2 3.96Å; L335-L357 HydrophobicContact CD2-CG 3.73Å; L335-L357 HydrophobicContact CG-CD1 3.86Å; L335-L357 HydrophobicContact CG-CD2 4.21Å; L335-L357 HydrophobicContact CG-CG 4.33Å; F336-L357 HydrophobicContact CE1-CD2 4.39Å; L339-L357 HydrophobicContact CD1-CD2 3.37Å; A353-L357 PolarHBondContact O-N 2.87Å; A354-L357 PolarHBondContact O-N 3.45Å; A354-L357 VanDerWaalsContact O-O 3.05Å; L357-F362 HydrophobicContact CB-CD1 3.77Å; L357-F362 HydrophobicContact CB-CE1 3.96Å; L357-F362 HydrophobicContact CD1-CB 3.67Å; L357-F362 HydrophobicContact CD1-CD1 3.48Å; L357-F362 VanDerWaalsContact CD1-CD1 3.48Å; L357-F362 HydrophobicContact CD1-CD2 4.43Å; L357-F362 HydrophobicContact CD1-CE1 4.21Å; L357-F362 HydrophobicContact CD1-CG 3.61Å; L357-F362 HydrophobicContact CG-CD1 4.28Å
358	P	92.4	Very high	93.4	Very high	21 Å²	21	32.3 Å²	32.3	14%	0.136	19%	0.191	C	C	.	.			trans	-58.7	144.8	170	-23.7	35	0	0	0	111.8	V236 G360 S361 W394	V236-P358 HydrophobicContact CB-CG 4.45Å; V236-P358 HydrophobicContact CG1-CG 3.66Å; P358-G360 PolarHBondContact O-N 3.33Å; P358-S361 WeakPolarHBondContact O-CB 3.34Å; P358-S361 PolarHBondContact O-N 2.69Å; P358-S361 VanDerWaalsContact O-N 3.09Å; P358-S361 PolarHBondContact O-OG 2.94Å; P358-W394 HydrophobicContact CB-CB 3.62Å; P358-W394 HydrophobicContact CB-CG 4.3Å; P358-W394 HydrophobicContact CG-CB 3.84Å; P358-W394 HydrophobicContact CG-CD2 4.35Å; P358-W394 HydrophobicContact CG-CE3 4.14Å; P358-W394 HydrophobicContact CG-CG 4.25Å
359	N	87.9	Confident	92.3	Very high	145 Å²	145	33.4 Å²	33.4	78%	0.775	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	136.4	172.6	-77.2	-19.5	0	0	0	110.5	S361	N359-S361 VanDerWaalsContact C-N 3.31Å; N359-S361 PolarHBondContact O-N 3.36Å
360	G	90.8	Very high	91.8	Very high	44 Å²	44	34.8 Å²	34.8	45%	0.454	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	4.8	-177.3	0	0	0	0	0	115.1	P358 Y391	P358-G360 PolarHBondContact O-N 3.33Å; G360-Y391 WeakPolarHBondContact O-CA 3.47Å; G360-Y391 WeakPolarHBondContact O-CD1 3.17Å
361	S	95.3	Very high	91.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-89.8	-3.6	178.5	80.6	0	0	0	0	114.9	P345 P358 N359	P345-S361 WeakPolarHBondContact CD-O 3.07Å; P358-S361 WeakPolarHBondContact O-CB 3.34Å; P358-S361 PolarHBondContact O-N 2.69Å; P358-S361 VanDerWaalsContact O-N 3.09Å; P358-S361 PolarHBondContact O-OG 2.94Å; N359-S361 VanDerWaalsContact C-N 3.31Å; N359-S361 PolarHBondContact O-N 3.36Å
362	F	98	Very high	91.4	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	19%	0.193	C	C	.	.			trans	-155.4	162.6	-173.1	74.2	-80.8	0	0	0	112.7	P345 V347 R350 A353 A354 L357 A364	P345-F362 HydrophobicContact CB-CB 4.35Å; P345-F362 HydrophobicContact CG-CB 3.78Å; V347-F362 HydrophobicContact CG2-CD2 3.72Å; V347-F362 HydrophobicContact CG2-CE2 3.88Å; R350-F362 HydrophobicContact CG-CE2 4.49Å; R350-F362 HydrophobicContact CG-CZ 4.33Å; R350-F362 VanDerWaalsContact NH1-CZ 3.32Å; A353-F362 HydrophobicContact CB-CD2 4.27Å; A353-F362 HydrophobicContact CB-CE2 3.89Å; A353-F362 HydrophobicContact CB-CZ 4.22Å; A354-F362 HydrophobicContact CB-CE1 4.4Å; A354-F362 HydrophobicContact CB-CZ 3.91Å; L357-F362 HydrophobicContact CB-CD1 3.77Å; L357-F362 HydrophobicContact CB-CE1 3.96Å; L357-F362 HydrophobicContact CD1-CB 3.67Å; L357-F362 HydrophobicContact CD1-CD1 3.48Å; L357-F362 VanDerWaalsContact CD1-CD1 3.48Å; L357-F362 HydrophobicContact CD1-CD2 4.43Å; L357-F362 HydrophobicContact CD1-CE1 4.21Å; L357-F362 HydrophobicContact CD1-CG 3.61Å; L357-F362 HydrophobicContact CG-CD1 4.28Å; F362-A364 HydrophobicContact CE2-CB 4.18Å
363	I	98.4	Very high	91.2	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.5	176.8	-60.5	173.2	0	0	0	107.8	F318 V344 P345 V346 V347 F368 L374 Y377 L378 L381 Y391	F318-I363 HydrophobicContact CD1-CD1 4.01Å; F318-I363 HydrophobicContact CE1-CD1 3.68Å; V344-I363 HydrophobicContact CG1-CD1 3.93Å; V344-I363 HydrophobicContact CG1-CG1 4.01Å; P345-I363 PolarHBondContact O-N 3.31Å; V346-I363 CarbonylContact C-O 3.56Å; V346-I363 VanDerWaalsContact CA-O 3.24Å; V346-I363 WeakPolarHBondContact CA-O 3.37Å; V346-I363 HydrophobicContact CG1-CG2 4.33Å; V346-I363 HydrophobicContact CG2-CB 4.31Å; V347-I363 PolarHBondContact N-O 2.8Å; I363-F368 HydrophobicContact CG2-CE2 3.5Å; I363-F368 VanDerWaalsContact CG2-CE2 3.5Å; I363-F368 HydrophobicContact CG2-CZ 3.89Å; I363-L374 HydrophobicContact CG2-CD1 3.82Å; I363-Y377 HydrophobicContact CD1-CD1 4.31Å; I363-Y377 HydrophobicContact CD1-CE1 3.97Å; I363-Y377 HydrophobicContact CG1-CE1 4.34Å; I363-L378 HydrophobicContact CD1-CD2 3.71Å; I363-L381 HydrophobicContact CD1-CD1 3.82Å; I363-Y391 HydrophobicContact CD1-CE1 4.32Å; I363-Y391 HydrophobicContact CD1-CE2 4.41Å; I363-Y391 HydrophobicContact CG1-CD1 4.41Å; I363-Y391 HydrophobicContact CG1-CE1 3.6Å; I363-Y391 HydrophobicContact CG1-CE2 4.48Å
364	A	97.6	Very high	91.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135.2	172.6	0	0	0	0	0	110.7	V347 R350 F362 D366 D367 F368	V347-A364 HydrophobicContact CG2-CB 3.74Å; R350-A364 HydrophobicContact CB-CB 3.58Å; F362-A364 HydrophobicContact CE2-CB 4.18Å; A364-D366 VanDerWaalsContact CB-OD1 3.27Å; A364-D366 WeakPolarHBondContact CB-OD1 3.39Å; A364-D366 PolarHBondContact O-N 3.29Å; A364-D367 WeakPolarHBondContact CB-OD2 3.36Å; A364-D367 PolarHBondContact N-OD2 3.44Å; A364-D367 WeakPolarHBondContact O-CB 3.38Å; A364-D367 PolarHBondContact O-N 3.35Å; A364-F368 VanDerWaalsContact O-CD2 3.25Å; A364-F368 WeakPolarHBondContact O-CD2 3.37Å; A364-F368 VanDerWaalsContact O-CE2 3.26Å; A364-F368 WeakPolarHBondContact O-CE2 3.34Å
365	A	95.6	Very high	91.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-65.8	-30.2	-178.3	0	0	0	0	0	112.4	Y279 F322 V347 D367 F368 L374 I453	Y279-A365 HydrophobicContact CE1-CB 3.77Å; Y279-A365 HydrophobicContact CE2-CB 4.47Å; Y279-A365 PolarHBondContact OH-O 3.23Å; F322-A365 HydrophobicContact CE1-CB 4.47Å; F322-A365 HydrophobicContact CZ-CB 4.28Å; V347-A365 VanDerWaalsContact O-CB 3.31Å; V347-A365 WeakPolarHBondContact O-CB 3.47Å; V347-A365 PolarHBondContact O-N 3.2Å; A365-D367 VanDerWaalsContact C-N 3.26Å; A365-D367 PolarHBondContact O-N 2.79Å; A365-F368 PolarHBondContact O-N 2.9Å; A365-L374 HydrophobicContact CB-CD2 4.06Å; A365-I453 HydrophobicContact CB-CD1 4.02Å
366	D	92.9	Very high	91.5	Very high	43 Å²	43	34.6 Å²	34.6	23%	0.23	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-79.1	-1.6	177	62.3	-13.8	0	0	0	114.5	L348 S349 R350 A364 F368 Y449 I453	L348-D366 PolarHBondContact O-N 3.1Å; S349-D366 WeakPolarHBondContact CA-OD1 3.4Å; S349-D366 WeakPolarHBondContact CA-OD2 3.32Å; S349-D366 WeakPolarHBondContact CB-OD2 3.47Å; S349-D366 PolarHBondContact OG-OD2 3.2Å; R350-D366 PolarHBondContact N-OD1 3.3Å; R350-D366 PolarHBondContact N-OD2 2.98Å; A364-D366 VanDerWaalsContact CB-OD1 3.27Å; A364-D366 WeakPolarHBondContact CB-OD1 3.39Å; A364-D366 PolarHBondContact O-N 3.29Å; D366-F368 VanDerWaalsContact C-N 3.32Å; D366-Y449 PolarHBondContact OD2-OH 3.5Å; D366-I453 HydrophobicContact CB-CG2 4.16Å
367	D	90.4	Very high	91.7	Very high	76 Å²	76	37.4 Å²	37.4	41%	0.406	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-77.9	-19.5	168.9	-62	-32.7	0	0	0	112.7	R350 A364 A365	R350-D367 VanDerWaalsContact CD-OD1 3.31Å; R350-D367 WeakPolarHBondContact CD-OD1 3.4Å; R350-D367 IonicContact CZ-OD1 2.64Å; R350-D367 IonicContact CZ-OD2 2.65Å; R350-D367 IonicContact NE-OD1 3.65Å; R350-D367 PolarHBondContact NE-OD1 3.46Å; R350-D367 IonicContact NE-OD2 3.55Å; R350-D367 PolarHBondContact NE-OD2 2.9Å; R350-D367 IonicContact NH2-OD2 2.84Å; R350-D367 PolarHBondContact NH2-OD2 3.15Å; A364-D367 WeakPolarHBondContact CB-OD2 3.36Å; A364-D367 PolarHBondContact N-OD2 3.44Å; A364-D367 WeakPolarHBondContact O-CB 3.38Å; A364-D367 PolarHBondContact O-N 3.35Å; A365-D367 VanDerWaalsContact C-N 3.26Å; A365-D367 PolarHBondContact O-N 2.79Å
368	F	87.6	Confident	91.9	Very high	31 Å²	31	36.9 Å²	36.9	14%	0.136	20%	0.2	C	C	.	.	S	Bend	trans	-98.5	140.3	-173.7	-63.2	-89.1	0	0	0	110	I363 A364 A365 D366 E373 L374 Y377 I457	I363-F368 HydrophobicContact CG2-CE2 3.5Å; I363-F368 VanDerWaalsContact CG2-CE2 3.5Å; I363-F368 HydrophobicContact CG2-CZ 3.89Å; A364-F368 VanDerWaalsContact O-CD2 3.25Å; A364-F368 WeakPolarHBondContact O-CD2 3.37Å; A364-F368 VanDerWaalsContact O-CE2 3.26Å; A364-F368 WeakPolarHBondContact O-CE2 3.34Å; A365-F368 PolarHBondContact O-N 2.9Å; D366-F368 VanDerWaalsContact C-N 3.32Å; F368-E373 HydrophobicContact CB-CB 4.32Å; F368-E373 HydrophobicContact CD1-CB 4.27Å; F368-L374 HydrophobicContact CB-CB 3.97Å; F368-L374 HydrophobicContact CD1-CB 4.21Å; F368-L374 HydrophobicContact CD2-CB 3.87Å; F368-L374 HydrophobicContact CD2-CD1 3.6Å; F368-L374 HydrophobicContact CD2-CG 4.25Å; F368-L374 HydrophobicContact CE2-CD1 3.48Å; F368-L374 VanDerWaalsContact CE2-CD1 3.48Å; F368-L374 HydrophobicContact CG-CB 3.71Å; F368-L374 HydrophobicContact CG-CD1 4.23Å; F368-L374 HydrophobicContact CZ-CD1 3.99Å; F368-Y377 VanDerWaalsContact CE1-CB 3.42Å; F368-Y377 AromaticContact CE1-CD1 3.62Å; F368-Y377 HydrophobicContact CE1-CD1 3.62Å; F368-Y377 HydrophobicContact CE1-CD2 4.23Å; F368-Y377 HydrophobicContact CE1-CE1 4.43Å; F368-Y377 AromaticContact CE1-CG 3.49Å; F368-Y377 HydrophobicContact CE1-CG 3.49Å; F368-Y377 VanDerWaalsContact CE1-CG 3.49Å; F368-Y377 HydrophobicContact CE2-CD1 4.47Å; F368-Y377 AromaticContact CZ-CD1 3.31Å; F368-Y377 HydrophobicContact CZ-CD1 3.31Å; F368-Y377 AromaticContact CZ-CE1 3.9Å; F368-Y377 HydrophobicContact CZ-CE1 3.9Å; F368-Y377 AromaticContact CZ-CG 3.74Å; F368-Y377 HydrophobicContact CZ-CG 3.74Å; F368-I457 WeakPolarHBondContact O-CD1 3.49Å
369	A	72.5	Confident	92	Very high	29 Å²	29	41.1 Å²	41.1	24%	0.24	21%	0.213	C	C	.	.	S	Bend	trans	-67.2	-51.6	176.7	0	0	0	0	0	108.2	E373 I457	A369-E373 VanDerWaalsContact CA-OE2 3.27Å; A369-E373 WeakPolarHBondContact CA-OE2 3.45Å; A369-E373 WeakPolarHBondContact CB-OE2 3.48Å; A369-E373 PolarHBondContact N-OE2 2.99Å; A369-I457 HydrophobicContact CB-CG2 3.38Å; A369-I457 WeakPolarHBondContact O-CB 3.35Å; A369-I457 WeakPolarHBondContact O-CD1 3.49Å; A369-I457 WeakPolarHBondContact O-CG1 2.96Å; A369-I457 WeakPolarHBondContact O-CG2 3.24Å
370	T	82.6	Confident	92.4	Very high	34 Å²	34	39.7 Å²	39.7	21%	0.209	20%	0.202	C	C	.	.	S	Bend	trans	-114.7	155.5	178.3	62.7	0	0	0	0	113.1	K372 E373 L374	T370-K372 PolarHBondContact O-N 3.37Å; T370-E373 PolarHBondContact N-OE2 3.06Å; T370-E373 VanDerWaalsContact N-OE2 3.17Å; T370-E373 WeakPolarHBondContact O-CA 3.49Å; T370-E373 WeakPolarHBondContact O-CB 3.08Å; T370-E373 PolarHBondContact O-N 3.06Å; T370-E373 WeakPolarHBondContact OG1-CG 3.34Å; T370-E373 PolarHBondContact OG1-N 3.29Å; T370-E373 PolarHBondContact OG1-OE1 2.66Å; T370-L374 PolarHBondContact O-N 2.68Å
371	V	87.4	Confident	92.6	Very high	11 Å²	11	37.8 Å²	37.8	7%	0.067	18%	0.181	C	C	.	.	H	α-helix	trans	-55.2	-33.2	167.2	-172.7	0	0	0	0	110.5	Y279 A282 L283 A375 I454	Y279-V371 HydrophobicContact CD2-CG2 4.36Å; Y279-V371 HydrophobicContact CE1-CG1 4.32Å; Y279-V371 HydrophobicContact CE2-CG2 3.75Å; A282-V371 HydrophobicContact CB-CB 4.47Å; A282-V371 HydrophobicContact CB-CG1 4.06Å; A282-V371 HydrophobicContact CB-CG2 4.12Å; L283-V371 HydrophobicContact CB-CG1 3.76Å; L283-V371 HydrophobicContact CD1-CG1 3.8Å; L283-V371 HydrophobicContact CG-CG1 4.41Å; V371-A375 WeakPolarHBondContact O-CB 3.46Å; V371-A375 PolarHBondContact O-N 3.39Å; V371-I454 HydrophobicContact CG2-CG1 4.04Å; V371-I454 HydrophobicContact CG2-CG2 4.34Å
372	K	88.1	Confident	92.5	Very high	114 Å²	114	40.2 Å²	40.2	50%	0.496	20%	0.195	S	C	.	.	H	α-helix	trans	-65.3	-41.6	172.8	-173.6	-177.6	176	-173.9	0	112.1	T370 A375 L376	T370-K372 PolarHBondContact O-N 3.37Å; K372-A375 CarbonylContact O-C 3.5Å; K372-A375 WeakPolarHBondContact O-CB 3.26Å; K372-A375 PolarHBondContact O-N 2.81Å; K372-L376 HydrophobicContact CG-CD1 4.26Å; K372-L376 HydrophobicContact CG-CG 4.45Å; K372-L376 WeakPolarHBondContact O-CB 3.49Å; K372-L376 VanDerWaalsContact O-CG 3.29Å; K372-L376 WeakPolarHBondContact O-CG 3.16Å; K372-L376 PolarHBondContact O-N 3.17Å
373	E	90.2	Very high	92.1	Very high	69 Å²	69	47.8 Å²	47.8	32%	0.322	23%	0.23	S	C	.	.	H	α-helix	trans	-65.1	-43.2	175.8	-79.7	160.8	-145.8	0	0	112.4	F368 A369 T370 A375 L376 Y377	F368-E373 HydrophobicContact CB-CB 4.32Å; F368-E373 HydrophobicContact CD1-CB 4.27Å; A369-E373 VanDerWaalsContact CA-OE2 3.27Å; A369-E373 WeakPolarHBondContact CA-OE2 3.45Å; A369-E373 WeakPolarHBondContact CB-OE2 3.48Å; A369-E373 PolarHBondContact N-OE2 2.99Å; T370-E373 PolarHBondContact N-OE2 3.06Å; T370-E373 VanDerWaalsContact N-OE2 3.17Å; T370-E373 WeakPolarHBondContact O-CA 3.49Å; T370-E373 WeakPolarHBondContact O-CB 3.08Å; T370-E373 PolarHBondContact O-N 3.06Å; T370-E373 WeakPolarHBondContact OG1-CG 3.34Å; T370-E373 PolarHBondContact OG1-N 3.29Å; T370-E373 PolarHBondContact OG1-OE1 2.66Å; E373-A375 VanDerWaalsContact C-N 3.28Å; E373-A375 PolarHBondContact O-N 3.28Å; E373-L376 PolarHBondContact O-N 2.93Å; E373-Y377 WeakPolarHBondContact O-CB 3.41Å; E373-Y377 PolarHBondContact O-N 2.77Å
374	L	96.7	Very high	91.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-55.9	-48.1	170.2	173.3	63.2	0	0	0	110	Y279 L283 V346 I363 A365 F368 T370 L376 Y377 L378	Y279-L374 HydrophobicContact CE1-CD2 3.78Å; L283-L374 HydrophobicContact CD1-CD2 4.15Å; L283-L374 HydrophobicContact CD1-CG 4.29Å; L283-L374 HydrophobicContact CD2-CD2 4.29Å; V346-L374 HydrophobicContact CG1-CD1 4.23Å; V346-L374 HydrophobicContact CG1-CD2 4.23Å; I363-L374 HydrophobicContact CG2-CD1 3.82Å; A365-L374 HydrophobicContact CB-CD2 4.06Å; F368-L374 HydrophobicContact CB-CB 3.97Å; F368-L374 HydrophobicContact CD1-CB 4.21Å; F368-L374 HydrophobicContact CD2-CB 3.87Å; F368-L374 HydrophobicContact CD2-CD1 3.6Å; F368-L374 HydrophobicContact CD2-CG 4.25Å; F368-L374 HydrophobicContact CE2-CD1 3.48Å; F368-L374 VanDerWaalsContact CE2-CD1 3.48Å; F368-L374 HydrophobicContact CG-CB 3.71Å; F368-L374 HydrophobicContact CG-CD1 4.23Å; F368-L374 HydrophobicContact CZ-CD1 3.99Å; T370-L374 PolarHBondContact O-N 2.68Å; L374-L376 VanDerWaalsContact C-N 3.34Å; L374-L376 PolarHBondContact O-N 2.55Å; L374-Y377 PolarHBondContact O-N 3.13Å; L374-L378 HydrophobicContact CD1-CD1 4.29Å; L374-L378 HydrophobicContact CD1-CD2 4.3Å; L374-L378 HydrophobicContact CD1-CG 4.1Å; L374-L378 HydrophobicContact CG-CD1 4.3Å; L374-L378 HydrophobicContact CG-CG 4.45Å; L374-L378 VanDerWaalsContact O-CG 3.29Å; L374-L378 WeakPolarHBondContact O-CG 3.24Å; L374-L378 PolarHBondContact O-N 3.09Å
375	A	95.8	Very high	91.2	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-60.4	-39.9	178.1	0	0	0	0	0	113.5	L283 H286 V287 V371 K372 E373 R379	L283-A375 HydrophobicContact CD1-CB 3.91Å; H286-A375 HydrophobicContact CB-CB 3.37Å; V287-A375 HydrophobicContact CB-CB 3.95Å; V287-A375 HydrophobicContact CG1-CB 3.92Å; V371-A375 WeakPolarHBondContact O-CB 3.46Å; V371-A375 PolarHBondContact O-N 3.39Å; K372-A375 CarbonylContact O-C 3.5Å; K372-A375 WeakPolarHBondContact O-CB 3.26Å; K372-A375 PolarHBondContact O-N 2.81Å; E373-A375 VanDerWaalsContact C-N 3.28Å; E373-A375 PolarHBondContact O-N 3.28Å; A375-R379 WeakPolarHBondContact O-CG 3.31Å; A375-R379 PolarHBondContact O-N 3.2Å; A375-R379 VanDerWaalsContact O-N 3.11Å
376	L	93.4	Very high	90.9	Very high	86 Å²	86	58.7 Å²	58.7	45%	0.45	28%	0.283	S	S	.	.	H	α-helix	trans	-66.4	-41.5	175.9	-73.4	171.4	0	0	0	111.1	K372 E373 L374 R379 Q380	K372-L376 HydrophobicContact CG-CD1 4.26Å; K372-L376 HydrophobicContact CG-CG 4.45Å; K372-L376 WeakPolarHBondContact O-CB 3.49Å; K372-L376 VanDerWaalsContact O-CG 3.29Å; K372-L376 WeakPolarHBondContact O-CG 3.16Å; K372-L376 PolarHBondContact O-N 3.17Å; E373-L376 PolarHBondContact O-N 2.93Å; L374-L376 VanDerWaalsContact C-N 3.34Å; L374-L376 PolarHBondContact O-N 2.55Å; L376-R379 CarbonylContact O-C 3.5Å; L376-R379 WeakPolarHBondContact O-CB 3.27Å; L376-R379 PolarHBondContact O-N 3.28Å; L376-Q380 WeakPolarHBondContact O-CB 3.17Å; L376-Q380 PolarHBondContact O-N 2.74Å
377	Y	97.9	Very high	90.8	Very high	68 Å²	68	59.4 Å²	59.4	27%	0.267	29%	0.287	S	S	.	.	H	α-helix	trans	-63.8	-43.8	177.2	-174.4	-111.1	0	0	0	112.2	I363 F368 E373 L374 R379 Q380 L381 Y391	I363-Y377 HydrophobicContact CD1-CD1 4.31Å; I363-Y377 HydrophobicContact CD1-CE1 3.97Å; I363-Y377 HydrophobicContact CG1-CE1 4.34Å; F368-Y377 VanDerWaalsContact CE1-CB 3.42Å; F368-Y377 AromaticContact CE1-CD1 3.62Å; F368-Y377 HydrophobicContact CE1-CD1 3.62Å; F368-Y377 HydrophobicContact CE1-CD2 4.23Å; F368-Y377 HydrophobicContact CE1-CE1 4.43Å; F368-Y377 AromaticContact CE1-CG 3.49Å; F368-Y377 HydrophobicContact CE1-CG 3.49Å; F368-Y377 VanDerWaalsContact CE1-CG 3.49Å; F368-Y377 HydrophobicContact CE2-CD1 4.47Å; F368-Y377 AromaticContact CZ-CD1 3.31Å; F368-Y377 HydrophobicContact CZ-CD1 3.31Å; F368-Y377 AromaticContact CZ-CE1 3.9Å; F368-Y377 HydrophobicContact CZ-CE1 3.9Å; F368-Y377 AromaticContact CZ-CG 3.74Å; F368-Y377 HydrophobicContact CZ-CG 3.74Å; E373-Y377 WeakPolarHBondContact O-CB 3.41Å; E373-Y377 PolarHBondContact O-N 2.77Å; L374-Y377 PolarHBondContact O-N 3.13Å; Y377-R379 VanDerWaalsContact C-N 3.29Å; Y377-R379 PolarHBondContact O-N 3.12Å; Y377-Q380 WeakPolarHBondContact O-CB 3.42Å; Y377-Q380 PolarHBondContact O-N 2.86Å; Y377-Q380 VanDerWaalsContact O-N 3.14Å; Y377-L381 HydrophobicContact CD1-CD1 4Å; Y377-L381 HydrophobicContact CE1-CD1 3.5Å; Y377-L381 VanDerWaalsContact CE1-CD1 3.5Å; Y377-L381 HydrophobicContact CE1-CG 4.17Å; Y377-L381 HydrophobicContact CE2-CG 4.45Å; Y377-L381 WeakPolarHBondContact O-CG 3.04Å; Y377-L381 PolarHBondContact O-N 2.8Å; Y377-Y391 WeakPolarHBondContact CE1-OH 3.41Å; Y377-Y391 PolarHBondContact OH-OH 2.89Å
378	L	98	Very high	91	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.3	-38	174.7	-63.7	-178.4	0	0	0	112	V263 F318 V346 I363 L374 D382	V263-L378 HydrophobicContact CG2-CD1 3.87Å; F318-L378 HydrophobicContact CD1-CD2 3.62Å; F318-L378 HydrophobicContact CD2-CB 4.33Å; F318-L378 HydrophobicContact CD2-CD2 4.02Å; F318-L378 HydrophobicContact CE1-CD2 3.74Å; F318-L378 HydrophobicContact CE2-CB 4.22Å; F318-L378 HydrophobicContact CE2-CD2 4.12Å; F318-L378 WeakPolarHBondContact CE2-O 2.83Å; F318-L378 HydrophobicContact CG-CD2 3.78Å; F318-L378 HydrophobicContact CZ-CD2 4Å; V346-L378 HydrophobicContact CG2-CD2 4.12Å; I363-L378 HydrophobicContact CD1-CD2 3.71Å; L374-L378 HydrophobicContact CD1-CD1 4.29Å; L374-L378 HydrophobicContact CD1-CD2 4.3Å; L374-L378 HydrophobicContact CD1-CG 4.1Å; L374-L378 HydrophobicContact CG-CD1 4.3Å; L374-L378 HydrophobicContact CG-CG 4.45Å; L374-L378 VanDerWaalsContact O-CG 3.29Å; L374-L378 WeakPolarHBondContact O-CG 3.24Å; L374-L378 PolarHBondContact O-N 3.09Å; L378-D382 PolarHBondContact O-N 3.34Å
379	R	95.7	Very high	91.2	Very high	109 Å²	109	55.9 Å²	55.9	41%	0.411	27%	0.269	S	S	.	.	H	α-helix	trans	-69.3	-37.9	172.9	-75.4	176.2	174.9	147.3	-3.9	112.6	L262 H286 A375 L376 Y377 D382 H383	L262-R379 HydrophobicContact CD2-CG 4.21Å; H286-R379 PolarHBondContact O-NH1 2.76Å; H286-R379 PolarHBondContact O-NH2 2.86Å; A375-R379 WeakPolarHBondContact O-CG 3.31Å; A375-R379 PolarHBondContact O-N 3.2Å; A375-R379 VanDerWaalsContact O-N 3.11Å; L376-R379 CarbonylContact O-C 3.5Å; L376-R379 WeakPolarHBondContact O-CB 3.27Å; L376-R379 PolarHBondContact O-N 3.28Å; Y377-R379 VanDerWaalsContact C-N 3.29Å; Y377-R379 PolarHBondContact O-N 3.12Å; R379-D382 VanDerWaalsContact O-CB 3.25Å; R379-D382 WeakPolarHBondContact O-CB 3.26Å; R379-D382 PolarHBondContact O-N 3.42Å; R379-D382 VanDerWaalsContact O-N 3.15Å; R379-H383 PolarHBondContact O-N 2.74Å; R379-H383 PolarHBondContact O-ND1 3.38Å
380	Q	95.5	Very high	92.1	Very high	115 Å²	115	59 Å²	59	54%	0.537	28%	0.277	S	S	.	.	H	α-helix	trans	-60.9	-49.3	177	-178.2	-178	-13	0	0	109.9	L376 Y377 D382 H383 D384	L376-Q380 WeakPolarHBondContact O-CB 3.17Å; L376-Q380 PolarHBondContact O-N 2.74Å; Y377-Q380 WeakPolarHBondContact O-CB 3.42Å; Y377-Q380 PolarHBondContact O-N 2.86Å; Y377-Q380 VanDerWaalsContact O-N 3.14Å; Q380-D382 PolarHBondContact O-N 3.48Å; Q380-H383 PolarHBondContact O-N 2.65Å; Q380-H383 VanDerWaalsContact O-N 3.12Å; Q380-D384 VanDerWaalsContact O-CB 3.31Å; Q380-D384 WeakPolarHBondContact O-CB 2.96Å; Q380-D384 PolarHBondContact O-N 3.3Å
381	L	95.3	Very high	92.7	Very high	4 Å²	4	58.8 Å²	58.8	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-62.8	-27.5	174.3	-67	178.1	0	0	0	113.1	F318 I363 Y377 H383 D384 N387 Y388 Y391	F318-L381 HydrophobicContact CE1-CD1 3.92Å; F318-L381 HydrophobicContact CZ-CB 3.7Å; F318-L381 HydrophobicContact CZ-CD1 3.82Å; F318-L381 HydrophobicContact CZ-CG 4.45Å; I363-L381 HydrophobicContact CD1-CD1 3.82Å; Y377-L381 HydrophobicContact CD1-CD1 4Å; Y377-L381 HydrophobicContact CE1-CD1 3.5Å; Y377-L381 VanDerWaalsContact CE1-CD1 3.5Å; Y377-L381 HydrophobicContact CE1-CG 4.17Å; Y377-L381 HydrophobicContact CE2-CG 4.45Å; Y377-L381 WeakPolarHBondContact O-CG 3.04Å; Y377-L381 PolarHBondContact O-N 2.8Å; L381-H383 VanDerWaalsContact C-N 3.3Å; L381-H383 PolarHBondContact O-N 2.92Å; L381-D384 CarbonylContact O-C 3.59Å; L381-N387 HydrophobicContact CD2-CB 3.95Å; L381-Y388 WeakPolarHBondContact O-CB 3.04Å; L381-Y391 HydrophobicContact CD1-CD2 4.25Å; L381-Y391 HydrophobicContact CD1-CE2 3.57Å; L381-Y391 HydrophobicContact CD2-CE2 4.11Å
382	D	93	Very high	92.9	Very high	52 Å²	52	58.5 Å²	58.5	28%	0.278	27%	0.271	S	S	.	.	H	α-helix	trans	-62.9	-38.5	174	-165.7	34.6	0	0	0	112.3	L262 K317 L378 R379 Q380	L262-D382 HydrophobicContact CD1-CB 3.64Å; K317-D382 VanDerWaalsContact CD-OD1 3.28Å; K317-D382 WeakPolarHBondContact CD-OD1 3.41Å; K317-D382 VanDerWaalsContact CE-OD1 3.27Å; K317-D382 WeakPolarHBondContact CE-OD1 3.44Å; K317-D382 PolarHBondContact NZ-O 3.39Å; K317-D382 IonicContact NZ-OD1 2.96Å; K317-D382 PolarHBondContact NZ-OD1 3.09Å; L378-D382 PolarHBondContact O-N 3.34Å; R379-D382 VanDerWaalsContact O-CB 3.25Å; R379-D382 WeakPolarHBondContact O-CB 3.26Å; R379-D382 PolarHBondContact O-N 3.42Å; R379-D382 VanDerWaalsContact O-N 3.15Å; Q380-D382 PolarHBondContact O-N 3.48Å
383	H	89.8	Confident	93	Very high	161 Å²	161	56.6 Å²	56.6	75%	0.745	27%	0.266	S	S	*	.	H	α-helix	trans	-91	-19	-179.8	-61.8	83.6	0	0	0	113.1	R379 Q380 L381	R379-H383 PolarHBondContact O-N 2.74Å; R379-H383 PolarHBondContact O-ND1 3.38Å; Q380-H383 PolarHBondContact O-N 2.65Å; Q380-H383 VanDerWaalsContact O-N 3.12Å; L381-H383 VanDerWaalsContact C-N 3.3Å; L381-H383 PolarHBondContact O-N 2.92Å
384	D	91	Very high	93.1	Very high	47 Å²	47	54 Å²	54	25%	0.251	25%	0.253	S	S	.	.			trans	-108.2	84.6	179.5	-171.5	-25.2	0	0	0	110.2	Q380 L381 E386 N387 Y388	Q380-D384 VanDerWaalsContact O-CB 3.31Å; Q380-D384 WeakPolarHBondContact O-CB 2.96Å; Q380-D384 PolarHBondContact O-N 3.3Å; L381-D384 CarbonylContact O-C 3.59Å; D384-E386 VanDerWaalsContact C-N 3.25Å; D384-E386 PolarHBondContact O-N 3.12Å; D384-E386 PolarHBondContact OD1-N 3.33Å; D384-N387 HydrophobicContact CB-CB 4.46Å; D384-N387 PolarHBondContact O-N 2.67Å; D384-N387 PolarHBondContact OD1-N 2.74Å; D384-N387 PolarHBondContact OD1-ND2 2.67Å; D384-N387 PolarHBondContact OD2-ND2 3.45Å; D384-Y388 WeakPolarHBondContact O-CB 3.25Å; D384-Y388 PolarHBondContact O-N 3.07Å
385	M	86.4	Confident	92.7	Very high	48 Å²	48	55.3 Å²	55.3	24%	0.236	26%	0.259	C	S	.	.	H	α-helix	trans	-64.5	-31.6	-176.4	-166.6	145.1	-65.3	0	0	112.5	A256 L257 Y388 L389	A256-M385 HydrophobicContact CB-SD 4.37Å; L257-M385 HydrophobicContact CD2-CE 3.93Å; L257-M385 HydrophobicContact CD2-SD 3.32Å; L257-M385 WeakPolarHBondContact CD2-SD 3.45Å; L257-M385 HydrophobicContact CG-CE 4.48Å; L257-M385 HydrophobicContact CG-SD 3.64Å; M385-Y388 PolarHBondContact O-N 2.9Å; M385-L389 HydrophobicContact CG-CD1 3.96Å; M385-L389 HydrophobicContact CG-CG 4.25Å; M385-L389 WeakPolarHBondContact O-CB 3.19Å; M385-L389 WeakPolarHBondContact O-CD1 3.4Å; M385-L389 WeakPolarHBondContact O-CG 3.31Å; M385-L389 PolarHBondContact O-N 2.81Å
386	E	88.9	Confident	92.3	Very high	136 Å²	136	58 Å²	58	64%	0.636	27%	0.271	S	S	*	.	H	α-helix	trans	-64.7	-51.2	178.9	-169.7	-167.9	146.1	0	0	110.7	D384 Y388 L389 K390	D384-E386 VanDerWaalsContact C-N 3.25Å; D384-E386 PolarHBondContact O-N 3.12Å; D384-E386 PolarHBondContact OD1-N 3.33Å; E386-Y388 VanDerWaalsContact C-N 3.34Å; E386-Y388 PolarHBondContact O-N 3.35Å; E386-L389 PolarHBondContact O-N 2.66Å; E386-K390 PolarHBondContact O-N 3.07Å; E386-K390 IonicContact OE1-NZ 3.95Å
387	N	91.4	Very high	92	Very high	58 Å²	58	55.7 Å²	55.7	31%	0.31	26%	0.262	S	S	.	.	H	α-helix	trans	-69	-32	177.6	-78.9	-54.9	0	0	0	112.7	L381 D384 K390	L381-N387 HydrophobicContact CD2-CB 3.95Å; D384-N387 HydrophobicContact CB-CB 4.46Å; D384-N387 PolarHBondContact O-N 2.67Å; D384-N387 PolarHBondContact OD1-N 2.74Å; D384-N387 PolarHBondContact OD1-ND2 2.67Å; D384-N387 PolarHBondContact OD2-ND2 3.45Å; N387-K390 WeakPolarHBondContact O-CB 3.35Å; N387-K390 PolarHBondContact O-N 3.35Å; N387-K390 WeakPolarHBondContact OD1-CD 3.42Å; N387-K390 WeakPolarHBondContact OD1-CE 3.47Å; N387-K390 PolarHBondContact OD1-NZ 2.97Å
388	Y	93.9	Very high	91.7	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-61.2	-43.6	171.2	171.5	-99	0	0	0	112.2	A256 K317 F318 V344 L381 D384 M385 E386 K390 Y391 F392	A256-Y388 HydrophobicContact CB-CD1 4.29Å; A256-Y388 HydrophobicContact CB-CE1 3.78Å; K317-Y388 HydrophobicContact CB-CE2 3.72Å; K317-Y388 HydrophobicContact CD-CE2 4.21Å; K317-Y388 HydrophobicContact CG-CE2 4.07Å; K317-Y388 PolarHBondContact O-OH 2.94Å; F318-Y388 HydrophobicContact CE1-CD2 4.24Å; F318-Y388 HydrophobicContact CE1-CE2 4.2Å; F318-Y388 AromaticContact CZ-CD2 3.87Å; F318-Y388 HydrophobicContact CZ-CD2 3.87Å; F318-Y388 HydrophobicContact CZ-CE2 4.05Å; V344-Y388 HydrophobicContact CG2-CD2 4.27Å; V344-Y388 HydrophobicContact CG2-CE2 3.67Å; L381-Y388 WeakPolarHBondContact O-CB 3.04Å; D384-Y388 WeakPolarHBondContact O-CB 3.25Å; D384-Y388 PolarHBondContact O-N 3.07Å; M385-Y388 PolarHBondContact O-N 2.9Å; E386-Y388 VanDerWaalsContact C-N 3.34Å; E386-Y388 PolarHBondContact O-N 3.35Å; Y388-K390 VanDerWaalsContact C-N 3.25Å; Y388-K390 PolarHBondContact O-N 3.39Å; Y388-Y391 WeakPolarHBondContact O-CB 2.93Å; Y388-Y391 PolarHBondContact O-N 3.12Å; Y388-F392 HydrophobicContact CD1-CE2 4.33Å; Y388-F392 AromaticContact CE1-CE2 3.64Å; Y388-F392 HydrophobicContact CE1-CE2 3.64Å; Y388-F392 HydrophobicContact CE1-CZ 4.42Å; Y388-F392 HydrophobicContact CE2-CE2 4.12Å; Y388-F392 AromaticContact CZ-CE2 3.53Å; Y388-F392 AromaticContact CZ-CZ 3.96Å
389	L	91.1	Very high	91.4	Very high	32 Å²	32	58.4 Å²	58.4	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-67	-24.7	-178	-72.3	167.5	0	0	0	113.2	L252 I253 A256 M385 E386 Y391 F392	L252-L389 HydrophobicContact CB-CD2 4.17Å; L252-L389 HydrophobicContact CD1-CD2 4.4Å; I253-L389 HydrophobicContact CG1-CD1 3.64Å; A256-L389 HydrophobicContact CB-CD2 4.03Å; M385-L389 HydrophobicContact CG-CD1 3.96Å; M385-L389 HydrophobicContact CG-CG 4.25Å; M385-L389 WeakPolarHBondContact O-CB 3.19Å; M385-L389 WeakPolarHBondContact O-CD1 3.4Å; M385-L389 WeakPolarHBondContact O-CG 3.31Å; M385-L389 PolarHBondContact O-N 2.81Å; E386-L389 PolarHBondContact O-N 2.66Å; L389-Y391 PolarHBondContact O-N 3.47Å; L389-F392 PolarHBondContact O-N 3.38Å
390	K	92.1	Very high	91.2	Very high	94 Å²	94	54.6 Å²	54.6	41%	0.409	27%	0.266	S	S	.	.	H	α-helix	trans	-57.7	-28.8	173.6	-66.9	175.9	-172	167.7	0	112.6	E386 N387 Y388 F392 D393	E386-K390 PolarHBondContact O-N 3.07Å; E386-K390 IonicContact OE1-NZ 3.95Å; N387-K390 WeakPolarHBondContact O-CB 3.35Å; N387-K390 PolarHBondContact O-N 3.35Å; N387-K390 WeakPolarHBondContact OD1-CD 3.42Å; N387-K390 WeakPolarHBondContact OD1-CE 3.47Å; N387-K390 PolarHBondContact OD1-NZ 2.97Å; Y388-K390 VanDerWaalsContact C-N 3.25Å; Y388-K390 PolarHBondContact O-N 3.39Å; K390-F392 PolarHBondContact O-N 2.82Å; K390-D393 WeakPolarHBondContact O-CB 3.48Å; K390-D393 PolarHBondContact O-N 3.46Å; K390-D393 VanDerWaalsContact O-N 3.14Å
391	Y	95.3	Very high	91.1	Very high	30 Å²	30	50 Å²	50	12%	0.118	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-8	175.9	-79.6	-81.7	0	0	0	114.8	V344 G360 I363 Y377 L381 Y388 L389 W394	V344-Y391 HydrophobicContact CG1-CD1 3.75Å; V344-Y391 HydrophobicContact CG1-CE1 4.33Å; V344-Y391 HydrophobicContact CG1-CG 3.91Å; V344-Y391 HydrophobicContact CG2-CG 4.11Å; G360-Y391 WeakPolarHBondContact O-CA 3.47Å; G360-Y391 WeakPolarHBondContact O-CD1 3.17Å; I363-Y391 HydrophobicContact CD1-CE1 4.32Å; I363-Y391 HydrophobicContact CD1-CE2 4.41Å; I363-Y391 HydrophobicContact CG1-CD1 4.41Å; I363-Y391 HydrophobicContact CG1-CE1 3.6Å; I363-Y391 HydrophobicContact CG1-CE2 4.48Å; Y377-Y391 WeakPolarHBondContact CE1-OH 3.41Å; Y377-Y391 PolarHBondContact OH-OH 2.89Å; L381-Y391 HydrophobicContact CD1-CD2 4.25Å; L381-Y391 HydrophobicContact CD1-CE2 3.57Å; L381-Y391 HydrophobicContact CD2-CE2 4.11Å; Y388-Y391 WeakPolarHBondContact O-CB 2.93Å; Y388-Y391 PolarHBondContact O-N 3.12Å; L389-Y391 PolarHBondContact O-N 3.47Å; Y391-W394 PolarHBondContact O-NE1 3Å
392	F	92.4	Very high	90.8	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.022	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	4.9	178.7	-58.8	-82	0	0	0	113.3	W248 L252 N342 V344 Y388 L389 K390 W394 M395	W248-F392 HydrophobicContact CH2-CB 4.11Å; W248-F392 HydrophobicContact CZ3-CB 4.44Å; L252-F392 HydrophobicContact CD1-CB 3.46Å; L252-F392 VanDerWaalsContact CD1-CB 3.46Å; L252-F392 HydrophobicContact CD1-CG 4.07Å; L252-F392 HydrophobicContact CD2-CB 4.38Å; L252-F392 HydrophobicContact CD2-CD1 4.39Å; L252-F392 HydrophobicContact CD2-CG 4.26Å; N342-F392 HydrophobicContact CB-CE1 4.43Å; V344-F392 HydrophobicContact CG2-CE1 4.34Å; V344-F392 HydrophobicContact CG2-CE2 3.62Å; V344-F392 HydrophobicContact CG2-CZ 3.48Å; V344-F392 VanDerWaalsContact CG2-CZ 3.48Å; Y388-F392 HydrophobicContact CD1-CE2 4.33Å; Y388-F392 AromaticContact CE1-CE2 3.64Å; Y388-F392 HydrophobicContact CE1-CE2 3.64Å; Y388-F392 HydrophobicContact CE1-CZ 4.42Å; Y388-F392 HydrophobicContact CE2-CE2 4.12Å; Y388-F392 AromaticContact CZ-CE2 3.53Å; Y388-F392 AromaticContact CZ-CZ 3.96Å; L389-F392 PolarHBondContact O-N 3.38Å; K390-F392 PolarHBondContact O-N 2.82Å; F392-W394 PolarHBondContact O-N 3.31Å; F392-M395 HydrophobicContact CB-SD 4.35Å; F392-M395 HydrophobicContact CD1-SD 3.82Å; F392-M395 WeakPolarHBondContact O-CB 3.39Å; F392-M395 PolarHBondContact O-N 3.02Å; F392-M395 VanDerWaalsContact O-N 3.09Å
393	D	89.3	Confident	90.6	Very high	74 Å²	74	50.6 Å²	50.6	40%	0.396	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-59.1	-31.9	178.9	-80.9	-27.6	0	0	0	112.8	K390 M395 K396	K390-D393 WeakPolarHBondContact O-CB 3.48Å; K390-D393 PolarHBondContact O-N 3.46Å; K390-D393 VanDerWaalsContact O-N 3.14Å; D393-M395 PolarHBondContact O-N 3.13Å; D393-K396 WeakPolarHBondContact O-CB 3.37Å; D393-K396 WeakPolarHBondContact O-CG 3.3Å; D393-K396 PolarHBondContact O-N 3.41Å; D393-K396 IonicContact OD1-NZ 3.96Å; D393-K396 PolarHBondContact OD1-NZ 2.89Å
394	W	91.6	Very high	90.7	Very high	15 Å²	15	45.7 Å²	45.7	6%	0.057	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-57.4	-33.4	177.5	65.8	-85.9	0	0	0	112.8	V236 L339 P358 Y391 F392 K396 S397 H398 V400	V236-W394 HydrophobicContact CG1-CE3 4Å; V236-W394 HydrophobicContact CG1-CZ3 3.99Å; L339-W394 HydrophobicContact CB-CH2 3.76Å; L339-W394 HydrophobicContact CB-CZ2 3.8Å; L339-W394 HydrophobicContact CD1-CH2 4.27Å; L339-W394 HydrophobicContact CD1-CZ2 4.37Å; L339-W394 HydrophobicContact CD2-CH2 4.26Å; L339-W394 HydrophobicContact CD2-CZ2 3.57Å; L339-W394 HydrophobicContact CG-CH2 4.31Å; L339-W394 HydrophobicContact CG-CZ2 4.1Å; P358-W394 HydrophobicContact CB-CB 3.62Å; P358-W394 HydrophobicContact CB-CG 4.3Å; P358-W394 HydrophobicContact CG-CB 3.84Å; P358-W394 HydrophobicContact CG-CD2 4.35Å; P358-W394 HydrophobicContact CG-CE3 4.14Å; P358-W394 HydrophobicContact CG-CG 4.25Å; Y391-W394 PolarHBondContact O-NE1 3Å; F392-W394 PolarHBondContact O-N 3.31Å; W394-K396 PolarHBondContact O-N 2.96Å; W394-K396 VanDerWaalsContact O-N 3.15Å; W394-S397 PolarHBondContact O-N 3.28Å; W394-S397 VanDerWaalsContact O-N 3.1Å; W394-S397 PolarHBondContact O-OG 2.68Å; W394-H398 HydrophobicContact CE3-CB 3.86Å; W394-H398 HydrophobicContact CZ3-CB 4.36Å; W394-H398 WeakPolarHBondContact O-CB 3Å; W394-H398 PolarHBondContact O-N 2.95Å; W394-H398 PolarHBondContact O-ND1 3.25Å; W394-V400 HydrophobicContact CH2-CG2 3.62Å; W394-V400 HydrophobicContact CZ3-CG2 3.88Å
395	M	89.7	Confident	90.7	Very high	26 Å²	26	45.7 Å²	45.7	13%	0.128	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-66.5	-16.6	-177.9	-62.1	-171.8	74.7	0	0	113.5	M239 W248 N342 F392 D393 S397	M239-M395 WeakPolarHBondContact CE-O 3.4Å; W248-M395 HydrophobicContact CH2-CB 3.17Å; W248-M395 HydrophobicContact CH2-CE 4.2Å; W248-M395 HydrophobicContact CH2-CG 3.71Å; W248-M395 HydrophobicContact CH2-SD 3.4Å; W248-M395 WeakPolarHBondContact CH2-SD 3.48Å; W248-M395 HydrophobicContact CZ2-CB 3.38Å; W248-M395 HydrophobicContact CZ2-CE 3.58Å; W248-M395 HydrophobicContact CZ2-CG 3.95Å; W248-M395 HydrophobicContact CZ2-SD 3.42Å; W248-M395 WeakPolarHBondContact CZ2-SD 3.2Å; W248-M395 HydrophobicContact CZ3-CB 3.92Å; N342-M395 WeakPolarHBondContact OD1-CE 3.25Å; F392-M395 HydrophobicContact CB-SD 4.35Å; F392-M395 HydrophobicContact CD1-SD 3.82Å; F392-M395 WeakPolarHBondContact O-CB 3.39Å; F392-M395 PolarHBondContact O-N 3.02Å; F392-M395 VanDerWaalsContact O-N 3.09Å; D393-M395 PolarHBondContact O-N 3.13Å; M395-S397 PolarHBondContact O-N 3.3Å
396	K	87.1	Confident	91.1	Very high	57 Å²	57	43.8 Å²	43.8	25%	0.248	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-62.6	-28.2	173.6	-66.8	167.8	177.5	159.4	0	112.1	P242 I243 D393 W394	P242-K396 WeakPolarHBondContact CB-O 3.3Å; I243-K396 PolarHBondContact N-O 3.45Å; D393-K396 WeakPolarHBondContact O-CB 3.37Å; D393-K396 WeakPolarHBondContact O-CG 3.3Å; D393-K396 PolarHBondContact O-N 3.41Å; D393-K396 IonicContact OD1-NZ 3.96Å; D393-K396 PolarHBondContact OD1-NZ 2.89Å; W394-K396 PolarHBondContact O-N 2.96Å; W394-K396 VanDerWaalsContact O-N 3.15Å
397	S	86.9	Confident	91.4	Very high	37 Å²	37	39 Å²	39	26%	0.259	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	-6.3	-172.4	54.3	0	0	0	0	114	K238 M239 W394 M395	K238-S397 CarbonylContact C-O 3.46Å; K238-S397 VanDerWaalsContact CA-O 3.29Å; K238-S397 WeakPolarHBondContact CA-O 3.35Å; K238-S397 WeakPolarHBondContact CG-O 3.34Å; M239-S397 PolarHBondContact N-O 3.1Å; W394-S397 PolarHBondContact O-N 3.28Å; W394-S397 VanDerWaalsContact O-N 3.1Å; W394-S397 PolarHBondContact O-OG 2.68Å; M395-S397 PolarHBondContact O-N 3.3Å
398	H	91.9	Very high	91.6	Very high	50 Å²	50	36.3 Å²	36.3	23%	0.231	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150.8	-177.2	-61.6	75.9	0	0	0	111.8	V236 R237 W394	V236-H398 HydrophobicContact CG1-CB 3.68Å; R237-H398 CarbonylContact O-C 3.53Å; R237-H398 WeakPolarHBondContact O-CA 3.42Å; R237-H398 WeakPolarHBondContact O-CB 3.31Å; W394-H398 HydrophobicContact CE3-CB 3.86Å; W394-H398 HydrophobicContact CZ3-CB 4.36Å; W394-H398 WeakPolarHBondContact O-CB 3Å; W394-H398 PolarHBondContact O-N 2.95Å; W394-H398 PolarHBondContact O-ND1 3.25Å
399	E	90.2	Very high	91.6	Very high	76 Å²	76	38.5 Å²	38.5	36%	0.355	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	159.6	174	63.6	-177.3	166.9	0	0	110.3	V236 R237 M239	V236-E399 WeakPolarHBondContact CA-O 3.37Å; R237-E399 IonicContact CZ-OE1 2.66Å; R237-E399 PolarHBondContact N-O 3.46Å; R237-E399 IonicContact NE-OE1 2.67Å; R237-E399 IonicContact NH2-OE1 3.67Å; R237-E399 PolarHBondContact NH2-OE1 3.24Å; R237-E399 PolarHBondContact O-N 3.17Å; M239-E399 HydrophobicContact CG-CB 3.79Å; M239-E399 HydrophobicContact CG-CG 3.79Å; M239-E399 HydrophobicContact SD-CB 4.08Å
400	V	92.9	Very high	91.9	Very high	28 Å²	28	37 Å²	37	17%	0.17	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	120.3	177.7	-173.4	0	0	0	0	109.4	W235 V236 F336 L339 Q340 W394	W235-V400 CarbonylContact O-C 3.48Å; W235-V400 WeakPolarHBondContact O-CA 3.02Å; V236-V400 HydrophobicContact CG2-CG2 4.38Å; F336-V400 HydrophobicContact CB-CG1 3.85Å; F336-V400 HydrophobicContact CD1-CG1 4.19Å; F336-V400 HydrophobicContact CG-CG1 4.46Å; L339-V400 HydrophobicContact CB-CG2 3.78Å; L339-V400 HydrophobicContact CD1-CG2 4.29Å; Q340-V400 HydrophobicContact CG-CB 3.76Å; Q340-V400 HydrophobicContact CG-CG1 3.76Å; Q340-V400 HydrophobicContact CG-CG2 4.28Å; W394-V400 HydrophobicContact CH2-CG2 3.62Å; W394-V400 HydrophobicContact CZ3-CG2 3.88Å
401	I	92.1	Very high	92.2	Very high	18 Å²	18	32.5 Å²	32.5	9%	0.092	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	125.6	168.3	-52.5	176.9	0	0	0	107.7	G234 W235 R237 D405 M406 L409	G234-I401 VanDerWaalsContact CA-O 3.26Å; G234-I401 WeakPolarHBondContact CA-O 3.24Å; W235-I401 HydrophobicContact CB-CB 4.46Å; W235-I401 PolarHBondContact N-O 3.02Å; W235-I401 PolarHBondContact O-N 3.21Å; R237-I401 HydrophobicContact CB-CD1 4.14Å; I401-D405 HydrophobicContact CG2-CB 3.58Å; I401-M406 HydrophobicContact CB-CG 4.37Å; I401-M406 HydrophobicContact CB-SD 4.04Å; I401-M406 HydrophobicContact CD1-SD 4.46Å; I401-M406 HydrophobicContact CG2-CG 3.92Å; I401-M406 HydrophobicContact CG2-SD 3.65Å; I401-L409 HydrophobicContact CG2-CD1 4.41Å
402	D	89.1	Confident	92.2	Very high	49 Å²	49	31.6 Å²	31.6	26%	0.262	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-79.9	171.6	-172.3	83.4	-3.8	0	0	0	113.1	P404 D405 M406	D402-P404 WeakPolarHBondContact OD1-CD 3.45Å; D402-D405 PolarHBondContact O-N 3.35Å; D402-D405 VanDerWaalsContact OD1-CB 3.26Å; D402-D405 WeakPolarHBondContact OD1-CB 3.32Å; D402-D405 PolarHBondContact OD1-N 2.84Å; D402-M406 WeakPolarHBondContact O-CB 3.4Å; D402-M406 WeakPolarHBondContact O-CG 3.21Å; D402-M406 PolarHBondContact O-N 3.25Å
403	A	89.9	Confident	92.4	Very high	20 Å²	20	36.8 Å²	36.8	17%	0.165	19%	0.188	C	C	.	.	H	α-helix	trans	-63.1	-45.1	-176.7	0	0	0	0	0	113	Y233 M406 E407	Y233-A403 WeakPolarHBondContact O-CA 3.02Å; Y233-A403 WeakPolarHBondContact O-CB 3.28Å; Y233-A403 PolarHBondContact O-N 3.14Å; A403-M406 PolarHBondContact O-N 3.48Å; A403-E407 WeakPolarHBondContact O-CB 3.3Å; A403-E407 PolarHBondContact O-N 3.48Å
404	P	90.7	Very high	92.7	Very high	59 Å²	59	33.2 Å²	33.2	38%	0.383	17%	0.17	S	C	.	.	H	α-helix	trans	-58.3	-40.6	174	-31.3	40.7	0	0	0	114.6	D402 E407 S408	D402-P404 WeakPolarHBondContact OD1-CD 3.45Å; P404-E407 PolarHBondContact O-N 3.29Å; P404-S408 PolarHBondContact O-N 3.31Å
405	D	92.8	Very high	92.9	Very high	47 Å²	47	32.6 Å²	32.6	25%	0.251	17%	0.167	S	C	.	.	H	α-helix	trans	-69.5	-42.7	176.2	-78.9	-11.8	0	0	0	111.9	R152 M153 I401 D402 E407 S408 L409	R152-D405 IonicContact CZ-OD1 3.16Å; R152-D405 IonicContact NE-OD1 2.63Å; R152-D405 PolarHBondContact NE-OD1 3.26Å; R152-D405 IonicContact NH2-OD1 3.24Å; R152-D405 PolarHBondContact NH2-OD1 2.86Å; M153-D405 HydrophobicContact CE-CB 4.32Å; M153-D405 VanDerWaalsContact SD-CA 3.54Å; M153-D405 HydrophobicContact SD-CB 3.43Å; M153-D405 WeakPolarHBondContact SD-CB 3.22Å; M153-D405 VanDerWaalsContact SD-CG 3.55Å; M153-D405 VanDerWaalsContact SD-O 3.35Å; I401-D405 HydrophobicContact CG2-CB 3.58Å; D402-D405 PolarHBondContact O-N 3.35Å; D402-D405 VanDerWaalsContact OD1-CB 3.26Å; D402-D405 WeakPolarHBondContact OD1-CB 3.32Å; D402-D405 PolarHBondContact OD1-N 2.84Å; D405-E407 VanDerWaalsContact C-N 3.27Å; D405-E407 PolarHBondContact O-N 2.92Å; D405-S408 PolarHBondContact O-N 2Å; D405-S408 VanDerWaalsContact O-N 3.16Å; D405-L409 WeakPolarHBondContact O-CG 3.5Å; D405-L409 PolarHBondContact O-N 2.83Å
406	M	94.3	Very high	93	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.039	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-36.1	175.1	-74.4	-51.2	-65.4	0	0	112.7	P232 W235 I401 D402 A403 L409 A410	P232-M406 HydrophobicContact CG-CE 3.34Å; P232-M406 HydrophobicContact CG-CG 4.4Å; P232-M406 WeakPolarHBondContact O-CB 3.49Å; W235-M406 HydrophobicContact CB-CE 3.99Å; W235-M406 HydrophobicContact CB-CG 4.31Å; W235-M406 HydrophobicContact CB-SD 3.68Å; I401-M406 HydrophobicContact CB-CG 4.37Å; I401-M406 HydrophobicContact CB-SD 4.04Å; I401-M406 HydrophobicContact CD1-SD 4.46Å; I401-M406 HydrophobicContact CG2-CG 3.92Å; I401-M406 HydrophobicContact CG2-SD 3.65Å; D402-M406 WeakPolarHBondContact O-CB 3.4Å; D402-M406 WeakPolarHBondContact O-CG 3.21Å; D402-M406 PolarHBondContact O-N 3.25Å; A403-M406 PolarHBondContact O-N 3.48Å; M406-L409 HydrophobicContact SD-CD1 4.15Å; M406-A410 WeakPolarHBondContact O-CB 3.49Å; M406-A410 PolarHBondContact O-N 2.97Å
407	E	94.1	Very high	93.3	Very high	35 Å²	35	37.2 Å²	37.2	16%	0.164	19%	0.191	C	C	.	.	H	α-helix	trans	-64.1	-47.6	172.6	-173.9	161.6	150.1	0	0	111	K201 M231 A403 P404 D405 L409 A410 F411	K201-E407 IonicContact NZ-OE2 3.6Å; K201-E407 PolarHBondContact NZ-OE2 2.93Å; M231-E407 HydrophobicContact SD-CB 4.47Å; M231-E407 HydrophobicContact SD-CG 4.01Å; A403-E407 WeakPolarHBondContact O-CB 3.3Å; A403-E407 PolarHBondContact O-N 3.48Å; P404-E407 PolarHBondContact O-N 3.29Å; D405-E407 VanDerWaalsContact C-N 3.27Å; D405-E407 PolarHBondContact O-N 2.92Å; E407-L409 PolarHBondContact O-N 3.35Å; E407-A410 WeakPolarHBondContact O-CB 3.41Å; E407-A410 PolarHBondContact O-N 3.04Å; E407-A410 VanDerWaalsContact O-N 3.12Å; E407-F411 HydrophobicContact CG-CD2 4.05Å; E407-F411 HydrophobicContact CG-CE2 3.98Å; E407-F411 WeakPolarHBondContact O-CD2 3.47Å; E407-F411 PolarHBondContact O-N 2.84Å
408	S	95.8	Very high	93.5	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.014	18%	0.179	C	C	.	.	H	α-helix	trans	-60.6	-46.5	177.8	-169.8	0	0	0	0	112.1	V150 R152 M153 P404 D405 A410 F411 C412	V150-S408 WeakPolarHBondContact O-CA 3.42Å; V150-S408 VanDerWaalsContact O-CB 3.28Å; V150-S408 WeakPolarHBondContact O-CB 3.31Å; V150-S408 PolarHBondContact O-OG 3Å; R152-S408 PolarHBondContact N-OG 2.97Å; M153-S408 WeakPolarHBondContact CB-OG 3.49Å; M153-S408 PolarHBondContact N-OG 2.92Å; P404-S408 PolarHBondContact O-N 3.31Å; D405-S408 PolarHBondContact O-N 2Å; D405-S408 VanDerWaalsContact O-N 3.16Å; S408-A410 VanDerWaalsContact C-N 3.26Å; S408-A410 PolarHBondContact O-N 2.87Å; S408-F411 PolarHBondContact O-N 3Å; S408-F411 VanDerWaalsContact O-N 3.13Å; S408-C412 PolarHBondContact O-N 3.2Å; S408-C412 PolarHBondContact O-SG 3.34Å
409	L	95.2	Very high	93.3	Very high	47 Å²	47	37.4 Å²	37.4	25%	0.246	19%	0.189	C	C	.	.	H	α-helix	trans	-59.3	-35.7	175.4	-70	172.1	0	0	0	112.9	M153 I401 D405 M406 E407 C412 R413	M153-L409 HydrophobicContact CB-CD2 4.38Å; M153-L409 HydrophobicContact CE-CD1 4.32Å; M153-L409 HydrophobicContact CE-CD2 4.07Å; M153-L409 HydrophobicContact CE-CG 4.16Å; M153-L409 HydrophobicContact SD-CD1 4.19Å; M153-L409 HydrophobicContact SD-CD2 4.03Å; M153-L409 HydrophobicContact SD-CG 3.67Å; I401-L409 HydrophobicContact CG2-CD1 4.41Å; D405-L409 WeakPolarHBondContact O-CG 3.5Å; D405-L409 PolarHBondContact O-N 2.83Å; M406-L409 HydrophobicContact SD-CD1 4.15Å; E407-L409 PolarHBondContact O-N 3.35Å; L409-C412 WeakPolarHBondContact O-CB 3.37Å; L409-C412 PolarHBondContact O-N 3.37Å; L409-R413 WeakPolarHBondContact O-CG 3.43Å; L409-R413 PolarHBondContact O-N 2.87Å
410	A	97	Very high	93	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-68.3	-41.4	176	0	0	0	0	0	111.7	M221 I229 M231 M406 E407 S408 R413 L414	M221-A410 HydrophobicContact CE-CB 3.77Å; I229-A410 HydrophobicContact CG2-CB 4.05Å; I229-A410 VanDerWaalsContact CG2-O 3.29Å; I229-A410 WeakPolarHBondContact CG2-O 3.36Å; M231-A410 HydrophobicContact CB-CB 3.6Å; M231-A410 HydrophobicContact CG-CB 3.57Å; M231-A410 HydrophobicContact SD-CB 4.2Å; M406-A410 WeakPolarHBondContact O-CB 3.49Å; M406-A410 PolarHBondContact O-N 2.97Å; E407-A410 WeakPolarHBondContact O-CB 3.41Å; E407-A410 PolarHBondContact O-N 3.04Å; E407-A410 VanDerWaalsContact O-N 3.12Å; S408-A410 VanDerWaalsContact C-N 3.26Å; S408-A410 PolarHBondContact O-N 2.87Å; A410-R413 WeakPolarHBondContact O-CB 3.42Å; A410-R413 PolarHBondContact O-N 3.08Å; A410-L414 PolarHBondContact O-N 2.79Å
411	F	97.3	Very high	92.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-64.4	-38.6	171.8	-85.9	-79.9	0	0	0	112.5	F146 V150 F151 I161 L175 F199 M221 E407 S408 R413 L414 C415	F146-F411 HydrophobicContact CD1-CZ 4.06Å; F146-F411 HydrophobicContact CE1-CE2 4.1Å; F146-F411 AromaticContact CE1-CZ 3.56Å; F146-F411 HydrophobicContact CE1-CZ 3.56Å; F146-F411 HydrophobicContact CZ-CZ 4.34Å; V150-F411 HydrophobicContact CB-CB 4.23Å; V150-F411 HydrophobicContact CB-CD1 4.26Å; V150-F411 HydrophobicContact CB-CD2 3.71Å; V150-F411 HydrophobicContact CB-CE2 4.09Å; V150-F411 HydrophobicContact CB-CG 3.8Å; V150-F411 HydrophobicContact CG1-CD2 4.11Å; V150-F411 HydrophobicContact CG1-CE2 3.99Å; V150-F411 HydrophobicContact CG1-CZ 4.34Å; V150-F411 HydrophobicContact CG2-CB 4.27Å; V150-F411 HydrophobicContact CG2-CD1 3.92Å; V150-F411 HydrophobicContact CG2-CD2 4.28Å; V150-F411 HydrophobicContact CG2-CE1 4.33Å; V150-F411 HydrophobicContact CG2-CG 3.9Å; F151-F411 HydrophobicContact CD1-CB 4.09Å; F151-F411 HydrophobicContact CE1-CB 3.79Å; F151-F411 HydrophobicContact CE1-CD1 4.34Å; F151-F411 HydrophobicContact CZ-CB 4.48Å; F151-F411 HydrophobicContact CZ-CD1 4.28Å; I161-F411 HydrophobicContact CD1-CE1 3.8Å; I161-F411 HydrophobicContact CD1-CZ 4.36Å; L175-F411 HydrophobicContact CD2-CE1 3.98Å; L175-F411 HydrophobicContact CD2-CZ 3.87Å; F199-F411 HydrophobicContact CE2-CE2 4.17Å; F199-F411 HydrophobicContact CE2-CZ 4.13Å; M221-F411 HydrophobicContact CE-CD1 4.26Å; M221-F411 HydrophobicContact CE-CD2 3.78Å; M221-F411 HydrophobicContact CE-CE1 4.28Å; M221-F411 HydrophobicContact CE-CE2 3.81Å; M221-F411 HydrophobicContact CE-CG 4.01Å; M221-F411 HydrophobicContact CE-CZ 4.06Å; E407-F411 HydrophobicContact CG-CD2 4.05Å; E407-F411 HydrophobicContact CG-CE2 3.98Å; E407-F411 WeakPolarHBondContact O-CD2 3.47Å; E407-F411 PolarHBondContact O-N 2.84Å; S408-F411 PolarHBondContact O-N 3Å; S408-F411 VanDerWaalsContact O-N 3.13Å; F411-R413 VanDerWaalsContact C-N 3.31Å; F411-R413 PolarHBondContact O-N 3.45Å; F411-L414 HydrophobicContact CD1-CD2 4.29Å; F411-L414 HydrophobicContact CE1-CD2 4.46Å; F411-L414 WeakPolarHBondContact O-CB 2.96Å; F411-L414 PolarHBondContact O-N 3.15Å; F411-C415 PolarHBondContact O-N 2.98Å
412	C	96	Very high	91.4	Very high	10 Å²	10	43.4 Å²	43.4	7%	0.068	23%	0.231	C	C	.	.	H	α-helix	trans	-59.4	-42.6	171.9	-56.7	0	0	0	0	111.8	C154 S408 L409 C415 K416	C154-C412 HydrophobicContact CB-CB 3.82Å; C154-C412 WeakPolarHBondContact CB-SG 3.31Å; C154-C412 VanDerWaalsContact SG-CA 3.52Å; C154-C412 WeakPolarHBondContact SG-CB 2.97Å; C154-C412 CovalentContact SG-SG 2.01Å; C154-C412 PolarHBondContact SG-SG 2.94Å; S408-C412 PolarHBondContact O-N 3.2Å; S408-C412 PolarHBondContact O-SG 3.34Å; L409-C412 WeakPolarHBondContact O-CB 3.37Å; L409-C412 PolarHBondContact O-N 3.37Å; C412-C415 PolarHBondContact O-N 3.03Å; C412-K416 WeakPolarHBondContact O-CG 3.45Å; C412-K416 PolarHBondContact O-N 2.97Å; C412-K416 VanDerWaalsContact O-N 3.12Å
413	R	95.9	Very high	90.3	Very high	114 Å²	114	49.2 Å²	49.2	43%	0.43	26%	0.261	S	S	.	.	H	α-helix	trans	-65.7	-42.5	175.1	-75.2	175.2	-175.3	153.4	1.3	111.7	I229 L409 A410 F411 C415 K416 V417	I229-R413 HydrophobicContact CG2-CB 4.48Å; L409-R413 WeakPolarHBondContact O-CG 3.43Å; L409-R413 PolarHBondContact O-N 2.87Å; A410-R413 WeakPolarHBondContact O-CB 3.42Å; A410-R413 PolarHBondContact O-N 3.08Å; F411-R413 VanDerWaalsContact C-N 3.31Å; F411-R413 PolarHBondContact O-N 3.45Å; R413-C415 VanDerWaalsContact C-N 3.32Å; R413-C415 PolarHBondContact O-N 2.94Å; R413-K416 WeakPolarHBondContact O-CB 3.49Å; R413-K416 PolarHBondContact O-N 3.26Å; R413-V417 WeakPolarHBondContact O-CG2 3.48Å; R413-V417 PolarHBondContact O-N 3.14Å
414	L	97.2	Very high	89.4	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.7	-48.2	174.5	173.5	60.5	0	0	0	110.7	I135 I197 M221 I229 A410 F411 K416 V417 L418	I135-L414 HydrophobicContact CD1-CD2 4.08Å; I135-L414 HydrophobicContact CD1-CG 4.35Å; I197-L414 HydrophobicContact CD1-CD1 3.52Å; I197-L414 HydrophobicContact CD1-CD2 3.71Å; I197-L414 HydrophobicContact CD1-CG 4.21Å; I197-L414 HydrophobicContact CG1-CD1 4.5Å; M221-L414 HydrophobicContact SD-CB 4.49Å; M221-L414 HydrophobicContact SD-CD2 3.97Å; I229-L414 HydrophobicContact CD1-CB 4.37Å; I229-L414 HydrophobicContact CD1-CD1 4.43Å; I229-L414 HydrophobicContact CG1-CB 4.25Å; I229-L414 HydrophobicContact CG1-CD1 4.13Å; I229-L414 HydrophobicContact CG2-CB 4.45Å; A410-L414 PolarHBondContact O-N 2.79Å; F411-L414 HydrophobicContact CD1-CD2 4.29Å; F411-L414 HydrophobicContact CE1-CD2 4.46Å; F411-L414 WeakPolarHBondContact O-CB 2.96Å; F411-L414 PolarHBondContact O-N 3.15Å; L414-K416 VanDerWaalsContact C-N 3.31Å; L414-K416 PolarHBondContact O-N 3.23Å; L414-V417 WeakPolarHBondContact O-CB 3.26Å; L414-V417 PolarHBondContact O-N 3.27Å; L414-V417 VanDerWaalsContact O-N 3.08Å; L414-L418 HydrophobicContact CD1-CD1 4.21Å; L414-L418 HydrophobicContact CD1-CD2 4.43Å; L414-L418 HydrophobicContact CD1-CG 4.09Å; L414-L418 HydrophobicContact CG-CD1 4.19Å; L414-L418 HydrophobicContact CG-CG 4.46Å; L414-L418 WeakPolarHBondContact O-CG 3.39Å; L414-L418 PolarHBondContact O-N 2.86Å
415	C	95.5	Very high	88.6	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.007	29%	0.288	C	S	.	.	H	α-helix	trans	-57.5	-43.8	177.5	-175.8	0	0	0	0	112.3	F151 V157 C159 F411 C412 R413 V417 L418 M419	F151-C415 HydrophobicContact CE1-CB 4.3Å; V157-C415 HydrophobicContact CB-CB 4.3Å; V157-C415 HydrophobicContact CG2-CB 4.14Å; C159-C415 HydrophobicContact CB-CB 3.75Å; C159-C415 WeakPolarHBondContact CB-SG 3.23Å; C159-C415 WeakPolarHBondContact SG-CA 3.31Å; C159-C415 WeakPolarHBondContact SG-CB 3.3Å; C159-C415 CovalentContact SG-SG 2.02Å; C159-C415 PolarHBondContact SG-SG 2.73Å; F411-C415 PolarHBondContact O-N 2.98Å; C412-C415 PolarHBondContact O-N 3.03Å; R413-C415 VanDerWaalsContact C-N 3.32Å; R413-C415 PolarHBondContact O-N 2.94Å; C415-V417 VanDerWaalsContact C-N 3.33Å; C415-V417 PolarHBondContact O-N 3.09Å; C415-L418 PolarHBondContact O-N 3.1Å; C415-M419 WeakPolarHBondContact O-CB 3.49Å; C415-M419 PolarHBondContact O-N 3.31Å
416	K	91.9	Very high	88.2	Confident	125 Å²	125	51.3 Å²	51.3	54%	0.543	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-40	175.2	-71.9	178.7	179	-175.9	0	112.6	C412 R413 L414 M419 N420	C412-K416 WeakPolarHBondContact O-CG 3.45Å; C412-K416 PolarHBondContact O-N 2.97Å; C412-K416 VanDerWaalsContact O-N 3.12Å; R413-K416 WeakPolarHBondContact O-CB 3.49Å; R413-K416 PolarHBondContact O-N 3.26Å; L414-K416 VanDerWaalsContact C-N 3.31Å; L414-K416 PolarHBondContact O-N 3.23Å; K416-M419 PolarHBondContact O-N 3.11Å; K416-N420 WeakPolarHBondContact O-CB 3.38Å; K416-N420 PolarHBondContact O-N 3.37Å; K416-N420 VanDerWaalsContact O-N 3.12Å; K416-N420 PolarHBondContact O-ND2 3.1Å
417	V	93	Very high	87.8	Confident	56 Å²	56	57.3 Å²	57.3	34%	0.339	31%	0.314	S	S	.	.	H	α-helix	trans	-63.1	-43	175.3	168.9	0	0	0	0	110.8	L219 I229 R413 L414 C415 N420 A421	L219-V417 HydrophobicContact CD1-CG1 4.1Å; I229-V417 HydrophobicContact CD1-CB 4.2Å; I229-V417 HydrophobicContact CD1-CG2 3.68Å; R413-V417 WeakPolarHBondContact O-CG2 3.48Å; R413-V417 PolarHBondContact O-N 3.14Å; L414-V417 WeakPolarHBondContact O-CB 3.26Å; L414-V417 PolarHBondContact O-N 3.27Å; L414-V417 VanDerWaalsContact O-N 3.08Å; C415-V417 VanDerWaalsContact C-N 3.33Å; C415-V417 PolarHBondContact O-N 3.09Å; V417-N420 PolarHBondContact O-N 3.42Å; V417-A421 PolarHBondContact O-N 3.42Å; V417-A421 VanDerWaalsContact O-N 3.09Å
418	L	91.5	Very high	87.5	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.9	-36.8	179	-63.9	178.5	0	0	0	113.3	I135 A173 H195 L414 C415 N420 A421	I135-L418 HydrophobicContact CD1-CD1 3.75Å; I135-L418 HydrophobicContact CG1-CD1 3.58Å; A173-L418 HydrophobicContact CB-CD1 3.71Å; A173-L418 HydrophobicContact CB-CD2 3.79Å; A173-L418 HydrophobicContact CB-CG 4.42Å; H195-L418 HydrophobicContact CB-CD2 4.19Å; H195-L418 VanDerWaalsContact CD2-CD2 3.46Å; H195-L418 WeakPolarHBondContact CD2-CD2 3.35Å; L414-L418 HydrophobicContact CD1-CD1 4.21Å; L414-L418 HydrophobicContact CD1-CD2 4.43Å; L414-L418 HydrophobicContact CD1-CG 4.09Å; L414-L418 HydrophobicContact CG-CD1 4.19Å; L414-L418 HydrophobicContact CG-CG 4.46Å; L414-L418 WeakPolarHBondContact O-CG 3.39Å; L414-L418 PolarHBondContact O-N 2.86Å; C415-L418 PolarHBondContact O-N 3.1Å; L418-N420 VanDerWaalsContact C-N 3.32Å; L418-A421 WeakPolarHBondContact O-CB 3.35Å; L418-A421 PolarHBondContact O-N 3.34Å
419	M	85.9	Confident	87.3	Confident	90 Å²	90	58.8 Å²	58.8	44%	0.443	32%	0.32	S	S	.	.	H	α-helix	trans	-65.4	-36.3	176.3	-175.1	175.3	77.1	0	0	111.9	F133 P158 C415 K416	F133-M419 HydrophobicContact CD2-CB 4.4Å; F133-M419 HydrophobicContact CE2-CB 3.89Å; F133-M419 HydrophobicContact CE2-CG 3.8Å; F133-M419 HydrophobicContact CZ-CG 4.44Å; P158-M419 HydrophobicContact CG-SD 3.81Å; C415-M419 WeakPolarHBondContact O-CB 3.49Å; C415-M419 PolarHBondContact O-N 3.31Å; K416-M419 PolarHBondContact O-N 3.11Å
420	N	84.4	Confident	86.9	Confident	124 Å²	124	65.1 Å²	65.1	66%	0.663	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.2	179.3	-65	-22.1	0	0	0	113.3	K416 V417 L418	K416-N420 WeakPolarHBondContact O-CB 3.38Å; K416-N420 PolarHBondContact O-N 3.37Å; K416-N420 VanDerWaalsContact O-N 3.12Å; K416-N420 PolarHBondContact O-ND2 3.1Å; V417-N420 PolarHBondContact O-N 3.42Å; L418-N420 VanDerWaalsContact C-N 3.32Å
421	A	80.4	Confident	86.6	Confident	15 Å²	15	65.4 Å²	65.4	12%	0.124	35%	0.348	C	S	.	.	S	Bend	trans	-72.2	130.4	-179.4	0	0	0	0	0	110.6	V417 L418	V417-A421 PolarHBondContact O-N 3.42Å; V417-A421 VanDerWaalsContact O-N 3.09Å; L418-A421 WeakPolarHBondContact O-CB 3.35Å; L418-A421 PolarHBondContact O-N 3.34Å
422	P	72.2	Confident	86.3	Confident	110 Å²	110	65.5 Å²	65.5	71%	0.714	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-59.6	148.6	-178.6	23.3	-32	0	0	0	112	G424	P422-G424 PolarHBondContact O-N 3.13Å
423	L	65	Low	85.8	Confident	171 Å²	171	70 Å²	70	90%	0.895	37%	0.368	S	S	*	.	S	Bend	trans	-68.4	118.4	170.7	-69.5	168	0	0	0	108.7
424	G	71	Confident	85.3	Confident	44 Å²	44	67.5 Å²	67.5	45%	0.454	36%	0.364	S	S	.	.	S	Bend	trans	140.2	-154.7	178	0	0	0	0	0	113.8	H193 P422	H193-G424 WeakPolarHBondContact CA-O 3.25Å; P422-G424 PolarHBondContact O-N 3.13Å
425	T	74.6	Confident	84.7	Confident	107 Å²	107	68 Å²	68	66%	0.656	37%	0.367	S	S	*	.			trans	-69.5	127.5	-178.2	48.9	0	0	0	0	111.7	S192	S192-T425 CarbonylContact O-C 3.37Å; S192-T425 VanDerWaalsContact O-CA 3.31Å; S192-T425 WeakPolarHBondContact O-CA 3.16Å
426	V	83.5	Confident	84	Confident	18 Å²	18	69.1 Å²	69.1	11%	0.109	37%	0.373	C	S	.	.			trans	-89.5	115.3	179.5	172.4	0	0	0	0	110.8	S192 H195 T218	S192-V426 PolarHBondContact O-N 3.27Å; H195-V426 WeakPolarHBondContact CE1-CG1 3.34Å; H195-V426 WeakPolarHBondContact ND1-CG1 3.5Å; T218-V426 HydrophobicContact CG2-CG1 3.83Å
427	D	85.4	Confident	83.5	Confident	134 Å²	134	67.9 Å²	67.9	72%	0.717	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-81.2	165.2	170.8	-70.1	-41.2	0	0	0	112.4
428	R	89.3	Confident	83.2	Confident	49 Å²	49	66 Å²	66	19%	0.185	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-88.6	140.2	178.6	-59.9	-179.5	-75.2	164.3	-8.9	110.1	D215 F217 T218 A432 E433	D215-R428 VanDerWaalsContact CB-NH1 3.3Å; D215-R428 IonicContact OD1-CZ 2.89Å; D215-R428 IonicContact OD1-NH1 3.8Å; D215-R428 PolarHBondContact OD1-NH1 3.37Å; F217-R428 VanDerWaalsContact O-CD 3.23Å; F217-R428 WeakPolarHBondContact O-CD 3.4Å; F217-R428 VanDerWaalsContact O-CG 3.28Å; F217-R428 WeakPolarHBondContact O-CG 3.38Å; T218-R428 HydrophobicContact CG2-CG 4.21Å; R428-A432 HydrophobicContact CB-CB 4.48Å; R428-E433 PolarHBondContact NH1-O 2.75Å; R428-E433 VanDerWaalsContact NH1-O 3.16Å
429	S	90.9	Very high	82.9	Confident	19 Å²	19	66 Å²	66	13%	0.133	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-71.2	163.9	169.3	69.3	0	0	0	0	112.3	T218 D228 S431 A432 E433	T218-S429 PolarHBondContact O-N 2.98Å; T218-S429 PolarHBondContact O-OG 3.12Å; D228-S429 VanDerWaalsContact CG-CB 3.43Å; D228-S429 WeakPolarHBondContact OD1-CB 3.32Å; D228-S429 PolarHBondContact OD1-OG 3.18Å; D228-S429 VanDerWaalsContact OD2-CB 3.27Å; D228-S429 WeakPolarHBondContact OD2-CB 3.3Å; D228-S429 PolarHBondContact OD2-OG 2.95Å; S429-S431 VanDerWaalsContact C-N 3.29Å; S429-S431 PolarHBondContact O-N 3.25Å; S429-S431 PolarHBondContact OG-OG 2.72Å; S429-A432 CarbonylContact O-C 3.51Å; S429-A432 PolarHBondContact O-N 3.38Å; S429-A432 VanDerWaalsContact OG-CB 3.26Å; S429-A432 WeakPolarHBondContact OG-CB 3.28Å; S429-A432 PolarHBondContact OG-N 3.26Å; S429-E433 WeakPolarHBondContact O-CG 3.32Å; S429-E433 PolarHBondContact O-N 2.96Å
430	K	87.7	Confident	82.6	Confident	181 Å²	181	64.8 Å²	64.8	79%	0.787	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-39	178	-173	177.5	-179.9	179.1	0	113.1
431	S	90.2	Very high	82.2	Confident	5 Å²	5	61.2 Å²	61.2	4%	0.035	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-26.8	177.1	51.4	0	0	0	0	112.6	T220 D228 S429	T220-S431 VanDerWaalsContact OG1-CB 3.25Å; T220-S431 WeakPolarHBondContact OG1-CB 3.35Å; T220-S431 PolarHBondContact OG1-OG 2.82Å; D228-S431 PolarHBondContact OD2-OG 3.02Å; S429-S431 VanDerWaalsContact C-N 3.29Å; S429-S431 PolarHBondContact O-N 3.25Å; S429-S431 PolarHBondContact OG-OG 2.72Å
432	A	91.1	Very high	82.2	Confident	2 Å²	2	63.6 Å²	63.6	2%	0.017	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-18.8	179.2	0	0	0	0	0	114.3	F217 T218 T220 R428 S429 N434	F217-A432 HydrophobicContact CB-CB 4.49Å; T218-A432 WeakPolarHBondContact O-CB 3.28Å; T220-A432 HydrophobicContact CG2-CB 3.99Å; R428-A432 HydrophobicContact CB-CB 4.48Å; S429-A432 CarbonylContact O-C 3.51Å; S429-A432 PolarHBondContact O-N 3.38Å; S429-A432 VanDerWaalsContact OG-CB 3.26Å; S429-A432 WeakPolarHBondContact OG-CB 3.28Å; S429-A432 PolarHBondContact OG-N 3.26Å; A432-N434 VanDerWaalsContact C-N 3.29Å; A432-N434 PolarHBondContact O-N 3.46Å
433	E	85.8	Confident	82.4	Confident	104 Å²	104	58.4 Å²	58.4	49%	0.486	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-46.7	177.4	-82.5	174.3	-154.8	0	0	112.5	R428 S429	R428-E433 PolarHBondContact NH1-O 2.75Å; R428-E433 VanDerWaalsContact NH1-O 3.16Å; S429-E433 WeakPolarHBondContact O-CG 3.32Å; S429-E433 PolarHBondContact O-N 2.96Å
434	N	85.2	Confident	83.3	Confident	63 Å²	63	52.6 Å²	52.6	34%	0.337	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.4	81.2	179.3	-170.8	-19.5	0	0	0	111.3	A432 V436 K437 W438	A432-N434 VanDerWaalsContact C-N 3.29Å; A432-N434 PolarHBondContact O-N 3.46Å; N434-V436 PolarHBondContact O-N 2.88Å; N434-V436 PolarHBondContact OD1-N 3.1Å; N434-K437 HydrophobicContact CB-CB 4.07Å; N434-K437 PolarHBondContact O-N 2.79Å; N434-K437 PolarHBondContact OD1-N 3.44Å; N434-W438 PolarHBondContact O-N 2.87Å
435	I	83.4	Confident	83.9	Confident	11 Å²	11	52 Å²	52	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-57.9	-34.9	-178.8	-61.9	-163.6	0	0	0	112.8	F198 L209 F217 T220 K437 Y439	F198-I435 HydrophobicContact CB-CD1 3.31Å; F198-I435 HydrophobicContact CD1-CD1 3.98Å; F198-I435 HydrophobicContact CD1-CG2 4.19Å; F198-I435 HydrophobicContact CD2-CD1 3.48Å; F198-I435 VanDerWaalsContact CD2-CD1 3.48Å; F198-I435 HydrophobicContact CD2-CG2 3.86Å; F198-I435 HydrophobicContact CE1-CG2 3.91Å; F198-I435 HydrophobicContact CE2-CD1 4.21Å; F198-I435 HydrophobicContact CE2-CG2 3.5Å; F198-I435 HydrophobicContact CG-CD1 3.33Å; F198-I435 HydrophobicContact CG-CG2 4.18Å; F198-I435 HydrophobicContact CZ-CG2 3.55Å; L209-I435 HydrophobicContact CD2-CG2 4.43Å; F217-I435 HydrophobicContact CB-CD1 3.64Å; F217-I435 HydrophobicContact CD2-CD1 3.5Å; F217-I435 VanDerWaalsContact CD2-CD1 3.5Å; F217-I435 HydrophobicContact CE2-CD1 4.4Å; F217-I435 HydrophobicContact CG-CD1 3.79Å; T220-I435 HydrophobicContact CG2-CD1 4Å; T220-I435 HydrophobicContact CG2-CG1 4.29Å; I435-K437 VanDerWaalsContact C-N 3.34Å; I435-K437 PolarHBondContact O-N 3.22Å; I435-Y439 WeakPolarHBondContact O-CA 3.27Å; I435-Y439 WeakPolarHBondContact O-CB 3.25Å; I435-Y439 PolarHBondContact O-N 2.98Å
436	V	82.2	Confident	84.5	Confident	23 Å²	23	50.2 Å²	50.2	14%	0.139	25%	0.253	C	S	.	.	I	π-helix	trans	-65.1	-40.6	176.9	179.6	0	0	0	0	110.4	L209 N434 L440 L441	L209-V436 HydrophobicContact CB-CG2 4.28Å; N434-V436 PolarHBondContact O-N 2.88Å; N434-V436 PolarHBondContact OD1-N 3.1Å; V436-L440 HydrophobicContact CG1-CD2 4.24Å; V436-L440 WeakPolarHBondContact O-CB 3.2Å; V436-L440 PolarHBondContact O-N 2.91Å; V436-L441 HydrophobicContact CG1-CD1 4.05Å; V436-L441 VanDerWaalsContact O-CD1 3.24Å; V436-L441 WeakPolarHBondContact O-CD1 3.28Å
437	K	81.6	Confident	84.5	Confident	99 Å²	99	56.6 Å²	56.6	43%	0.43	28%	0.275	S	S	.	.	I	π-helix	trans	-67.6	-56	174.3	175.2	176.2	171.2	-172.4	0	111.4	N434 I435 L441 E442	N434-K437 HydrophobicContact CB-CB 4.07Å; N434-K437 PolarHBondContact O-N 2.79Å; N434-K437 PolarHBondContact OD1-N 3.44Å; I435-K437 VanDerWaalsContact C-N 3.34Å; I435-K437 PolarHBondContact O-N 3.22Å; K437-L441 PolarHBondContact O-N 2.78Å; K437-E442 WeakPolarHBondContact CE-OE1 3.38Å; K437-E442 WeakPolarHBondContact CG-OE1 3.41Å; K437-E442 PolarHBondContact O-N 3.25Å
438	W	85.3	Confident	84.5	Confident	16 Å²	16	53.4 Å²	53.4	6%	0.061	26%	0.258	C	S	.	.	I	π-helix	trans	-64.6	-49.8	-174.3	168.1	75.5	0	0	0	112.5	T220 T222 R224 D226 N434 E442	T220-W438 HydrophobicContact CG2-CE3 4.11Å; T220-W438 HydrophobicContact CG2-CH2 4.08Å; T220-W438 HydrophobicContact CG2-CZ3 3.63Å; T222-W438 HydrophobicContact CG2-CH2 3.89Å; T222-W438 HydrophobicContact CG2-CZ3 4.2Å; T222-W438 WeakPolarHBondContact OG1-CH2 3.35Å; R224-W438 HydrophobicContact CB-CH2 4.26Å; R224-W438 HydrophobicContact CB-CZ2 3.7Å; R224-W438 HydrophobicContact CG-CZ2 4.27Å; R224-W438 PolarHBondContact NH1-O 3.25Å; D226-W438 PolarHBondContact OD1-NE1 2.84Å; N434-W438 PolarHBondContact O-N 2.87Å; W438-E442 WeakPolarHBondContact O-CB 3.46Å
439	Y	85.1	Confident	84.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.255	C	S	.	.	I	π-helix	trans	-84.7	-50.8	-173.7	-156	-101.1	0	0	0	113.1	F198 L200 E202 P204 L209 T222 Y223 R224 I435	F198-Y439 HydrophobicContact CE1-CD2 4.29Å; F198-Y439 HydrophobicContact CE1-CE2 4.44Å; F198-Y439 HydrophobicContact CE1-CG 4.3Å; L200-Y439 HydrophobicContact CD2-CD1 4.16Å; L200-Y439 HydrophobicContact CD2-CE1 3.4Å; L200-Y439 VanDerWaalsContact CD2-CE1 3.4Å; L200-Y439 HydrophobicContact CG-CE1 4.32Å; L200-Y439 PolarHBondContact O-OH 3.38Å; E202-Y439 WeakPolarHBondContact O-CE1 3.43Å; E202-Y439 PolarHBondContact O-OH 3.15Å; P204-Y439 HydrophobicContact CG-CD1 3.99Å; P204-Y439 HydrophobicContact CG-CE1 4.11Å; P204-Y439 VanDerWaalsContact CG-O 3.23Å; P204-Y439 WeakPolarHBondContact CG-O 3.24Å; L209-Y439 HydrophobicContact CD1-CD1 4.09Å; T222-Y439 HydrophobicContact CG2-CD2 4.23Å; T222-Y439 HydrophobicContact CG2-CE2 3.63Å; Y223-Y439 WeakPolarHBondContact CD1-OH 3.45Å; Y223-Y439 HydrophobicContact CE1-CE2 4.24Å; Y223-Y439 AromaticContact CE1-CZ 3.69Å; Y223-Y439 WeakPolarHBondContact CE1-OH 3.32Å; R224-Y439 HydrophobicContact CG-CD2 4.3Å; R224-Y439 HydrophobicContact CG-CE2 4.18Å; I435-Y439 WeakPolarHBondContact O-CA 3.27Å; I435-Y439 WeakPolarHBondContact O-CB 3.25Å; I435-Y439 PolarHBondContact O-N 2.98Å
440	L	80.5	Confident	83.9	Confident	66 Å²	66	51.5 Å²	51.5	35%	0.346	25%	0.248	S	C	.	.	I	π-helix	trans	-71.8	-44.7	-174.2	-174.1	57.5	0	0	0	111.8	P204 L209 V436	P204-L440 HydrophobicContact CB-CD1 3.69Å; L209-L440 HydrophobicContact CD1-CB 3.84Å; V436-L440 HydrophobicContact CG1-CD2 4.24Å; V436-L440 WeakPolarHBondContact O-CB 3.2Å; V436-L440 PolarHBondContact O-N 2.91Å
441	L	75.8	Confident	83.6	Confident	48 Å²	48	46.5 Å²	46.5	25%	0.251	23%	0.227	S	C	.	.	I	π-helix	trans	-108.2	-33.3	-159.5	-63.1	142.8	0	0	0	113.7	V436 K437 N531 K533	V436-L441 HydrophobicContact CG1-CD1 4.05Å; V436-L441 VanDerWaalsContact O-CD1 3.24Å; V436-L441 WeakPolarHBondContact O-CD1 3.28Å; K437-L441 PolarHBondContact O-N 2.78Å; L441-N531 PolarHBondContact O-ND2 2.78Å; L441-N531 VanDerWaalsContact O-ND2 3.07Å; L441-K533 HydrophobicContact CB-CD 2.99Å; L441-K533 HydrophobicContact CB-CG 4.41Å; L441-K533 HydrophobicContact CD1-CD 4.04Å; L441-K533 HydrophobicContact CD2-CD 4.1Å; L441-K533 HydrophobicContact CG-CD 3.83Å
442	E	81.2	Confident	83	Confident	66 Å²	66	48.5 Å²	48.5	31%	0.308	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.7	165.4	-63.6	170	-170.9	0	0	111.8	R224 K437 W438 S444	R224-E442 PolarHBondContact NH1-O 3.13Å; K437-E442 WeakPolarHBondContact CE-OE1 3.38Å; K437-E442 WeakPolarHBondContact CG-OE1 3.41Å; K437-E442 PolarHBondContact O-N 3.25Å; W438-E442 WeakPolarHBondContact O-CB 3.46Å; E442-S444 PolarHBondContact O-N 2.65Å; E442-S444 PolarHBondContact O-OG 2.89Å
443	G	75.3	Confident	82.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-12.8	175.3	0	0	0	0	0	113.9	K328 C445	K328-G443 VanDerWaalsContact CB-O 3.28Å; K328-G443 WeakPolarHBondContact CB-O 3.05Å; K328-G443 PolarHBondContact N-O 2.86Å; G443-C445 VanDerWaalsContact C-N 3.32Å; G443-C445 PolarHBondContact O-N 3.1Å
444	S	83.8	Confident	81.5	Confident	50 Å²	50	45.7 Å²	45.7	35%	0.35	22%	0.221	S	C	.	.			trans	49.8	45.9	173.4	-52.4	0	0	0	0	114	E442	E442-S444 PolarHBondContact O-N 2.65Å; E442-S444 PolarHBondContact O-OG 2.89Å
445	C	85	Confident	79.8	Confident	30 Å²	30	46.5 Å²	46.5	20%	0.203	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-79.6	124	-177.3	-64.8	0	0	0	0	112.9	H205 V326 C327 G443	H205-C445 VanDerWaalsContact NE2-CB 3.34Å; H205-C445 WeakPolarHBondContact NE2-CB 3.31Å; V326-C445 CarbonylContact O-C 3.5Å; V326-C445 VanDerWaalsContact O-CA 3.32Å; V326-C445 WeakPolarHBondContact O-CA 3.48Å; C327-C445 HydrophobicContact CB-CB 4.04Å; C327-C445 WeakPolarHBondContact CB-SG 3.33Å; C327-C445 WeakPolarHBondContact SG-CB 3.36Å; C327-C445 CovalentContact SG-SG 2.03Å; C327-C445 PolarHBondContact SG-SG 3.1Å; G443-C445 VanDerWaalsContact C-N 3.32Å; G443-C445 PolarHBondContact O-N 3.1Å
446	L	85.9	Confident	77.7	Confident	70 Å²	70	47.1 Å²	47.1	37%	0.366	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-95.3	117.6	179.2	-55.2	177.8	0	0	0	111.1	V326 Y449	V326-L446 HydrophobicContact CB-CB 4.32Å; V326-L446 HydrophobicContact CG1-CB 4.48Å; V326-L446 HydrophobicContact CG1-CD1 4.29Å; V326-L446 PolarHBondContact O-N 2.91Å; L446-Y449 HydrophobicContact CB-CD2 4.12Å; L446-Y449 HydrophobicContact CD1-CD2 3.59Å; L446-Y449 HydrophobicContact CD1-CE2 3.72Å
447	R	84.9	Confident	75.8	Confident	152 Å²	152	47.2 Å²	47.2	57%	0.574	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.6	149.4	171.8	-73.4	-176.4	176.6	-105.2	1.8	111.4	P273 Y449 R452	P273-R447 CarbonylContact O-C 3.51Å; P273-R447 WeakPolarHBondContact O-CA 3.32Å; R447-Y449 PolarHBondContact O-N 3.38Å; R447-Y449 VanDerWaalsContact O-N 3.09Å; R447-R452 PolarHBondContact O-NE 3.35Å
448	D	84	Confident	73.2	Confident	67 Å²	67	51.3 Å²	51.3	36%	0.358	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	23.1	176.9	-70.3	-11.2	0	0	0	114.2	P273 S274 A275 G450 K451 R452	P273-D448 PolarHBondContact O-N 3.41Å; S274-D448 CarbonylContact O-C 3.52Å; A275-D448 HydrophobicContact CB-CB 4.38Å; D448-G450 VanDerWaalsContact C-N 3.3Å; D448-G450 PolarHBondContact O-N 2.98Å; D448-K451 HydrophobicContact CB-CB 4.29Å; D448-K451 HydrophobicContact CB-CD 4.46Å; D448-K451 WeakPolarHBondContact O-CA 3.5Å; D448-K451 WeakPolarHBondContact O-CB 3.48Å; D448-K451 PolarHBondContact O-N 3.42Å; D448-K451 IonicContact OD2-NZ 3.63Å; D448-R452 WeakPolarHBondContact O-CG 2.89Å; D448-R452 PolarHBondContact O-N 2.94Å
449	Y	86.3	Confident	70.6	Confident	28 Å²	28	53.9 Å²	53.9	11%	0.11	27%	0.266	C	S	.	.	H	α-helix	trans	-53.6	-45.2	-174.3	-168	-102.5	0	0	0	112.9	S274 V326 L348 S349 D366 L446 R447 K451 R452 I453	S274-Y449 PolarHBondContact O-N 3.46Å; V326-Y449 HydrophobicContact CB-CG 4.33Å; V326-Y449 HydrophobicContact CG1-CD1 4.24Å; V326-Y449 HydrophobicContact CG1-CG 4.17Å; V326-Y449 HydrophobicContact CG2-CD1 4.01Å; V326-Y449 HydrophobicContact CG2-CG 4.04Å; L348-Y449 HydrophobicContact CB-CD1 4.2Å; L348-Y449 HydrophobicContact CB-CE1 4.47Å; S349-Y449 PolarHBondContact OG-OH 3.05Å; D366-Y449 PolarHBondContact OD2-OH 3.5Å; L446-Y449 HydrophobicContact CB-CD2 4.12Å; L446-Y449 HydrophobicContact CD1-CD2 3.59Å; L446-Y449 HydrophobicContact CD1-CE2 3.72Å; R447-Y449 PolarHBondContact O-N 3.38Å; R447-Y449 VanDerWaalsContact O-N 3.09Å; Y449-K451 PolarHBondContact O-N 3.07Å; Y449-R452 WeakPolarHBondContact O-CB 3.39Å; Y449-R452 PolarHBondContact O-N 2.97Å; Y449-I453 HydrophobicContact CD1-CG2 4.2Å; Y449-I453 HydrophobicContact CE1-CD1 4.34Å; Y449-I453 HydrophobicContact CE1-CG2 3.7Å; Y449-I453 HydrophobicContact CE2-CG2 4.15Å; Y449-I453 WeakPolarHBondContact O-CG1 3.34Å; Y449-I453 PolarHBondContact O-N 3.39Å
450	G	81.3	Confident	68	Low	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.7	-24.5	175.7	0	0	0	0	0	113.9	S274 Y279 D448 I454	S274-G450 PolarHBondContact O-N 3.38Å; Y279-G450 WeakPolarHBondContact CD2-O 3.45Å; D448-G450 VanDerWaalsContact C-N 3.3Å; D448-G450 PolarHBondContact O-N 2.98Å; G450-I454 VanDerWaalsContact O-CD1 3.3Å; G450-I454 WeakPolarHBondContact O-CD1 3.44Å; G450-I454 VanDerWaalsContact O-CG1 3.28Å; G450-I454 WeakPolarHBondContact O-CG1 3.18Å
451	K	82.6	Confident	65.7	Low	77 Å²	77	61.4 Å²	61.4	34%	0.335	31%	0.306	S	S	.	.	H	α-helix	trans	-83.1	-38.2	171.4	177	-176.6	168.6	-165.9	0	111.4	A275 I278 D448 Y449 I454 V455	A275-K451 HydrophobicContact CB-CB 4.31Å; I278-K451 HydrophobicContact CD1-CB 4.25Å; I278-K451 HydrophobicContact CD1-CD 4.2Å; I278-K451 HydrophobicContact CD1-CG 4.47Å; D448-K451 HydrophobicContact CB-CB 4.29Å; D448-K451 HydrophobicContact CB-CD 4.46Å; D448-K451 WeakPolarHBondContact O-CA 3.5Å; D448-K451 WeakPolarHBondContact O-CB 3.48Å; D448-K451 PolarHBondContact O-N 3.42Å; D448-K451 IonicContact OD2-NZ 3.63Å; Y449-K451 PolarHBondContact O-N 3.07Å; K451-I454 PolarHBondContact O-N 3.15Å; K451-V455 PolarHBondContact O-N 3.34Å
452	R	75.9	Confident	63.4	Low	47 Å²	47	62.5 Å²	62.5	18%	0.177	33%	0.328	C	S	.	.	H	α-helix	trans	-57.4	-52.1	179.1	-68.1	170.1	169.8	-151.5	-8.5	110.1	R447 D448 Y449 I454 V455 L456 W491 G492 D529	R447-R452 PolarHBondContact O-NE 3.35Å; D448-R452 WeakPolarHBondContact O-CG 2.89Å; D448-R452 PolarHBondContact O-N 2.94Å; Y449-R452 WeakPolarHBondContact O-CB 3.39Å; Y449-R452 PolarHBondContact O-N 2.97Å; R452-I454 PolarHBondContact O-N 3.17Å; R452-I454 VanDerWaalsContact O-N 3.14Å; R452-V455 PolarHBondContact O-N 2.58Å; R452-V455 VanDerWaalsContact O-N 3.11Å; R452-L456 HydrophobicContact CB-CD1 4.34Å; R452-L456 WeakPolarHBondContact O-CB 3.29Å; R452-L456 WeakPolarHBondContact O-CD1 3.49Å; R452-L456 PolarHBondContact O-N 2.89Å; R452-W491 WeakPolarHBondContact CG-O 3.37Å; R452-W491 PolarHBondContact NE-O 3.29Å; R452-G492 VanDerWaalsContact NH1-CA 3.27Å; R452-D529 IonicContact CZ-OD1 2.72Å; R452-D529 IonicContact NH1-OD1 3.84Å; R452-D529 IonicContact NH2-OD1 2.89Å; R452-D529 PolarHBondContact NH2-OD1 3.07Å
453	I	77.7	Confident	61	Low	8 Å²	8	68.5 Å²	68.5	4%	0.041	35%	0.354	C	S	.	.	H	α-helix	trans	-69.4	-8.8	-177.5	65.1	167.3	0	0	0	114.6	Y279 L348 A365 D366 Y449 L456	Y279-I453 HydrophobicContact CD2-CD1 3.57Å; Y279-I453 HydrophobicContact CD2-CG1 3.51Å; Y279-I453 HydrophobicContact CE2-CB 4.45Å; Y279-I453 HydrophobicContact CE2-CD1 3.38Å; Y279-I453 HydrophobicContact CE2-CG1 3.47Å; Y279-I453 VanDerWaalsContact CE2-CG1 3.47Å; Y279-I453 HydrophobicContact CG-CD1 4.41Å; L348-I453 HydrophobicContact CD2-CD1 3.94Å; A365-I453 HydrophobicContact CB-CD1 4.02Å; D366-I453 HydrophobicContact CB-CG2 4.16Å; Y449-I453 HydrophobicContact CD1-CG2 4.2Å; Y449-I453 HydrophobicContact CE1-CD1 4.34Å; Y449-I453 HydrophobicContact CE1-CG2 3.7Å; Y449-I453 HydrophobicContact CE2-CG2 4.15Å; Y449-I453 WeakPolarHBondContact O-CG1 3.34Å; Y449-I453 PolarHBondContact O-N 3.39Å; I453-L456 HydrophobicContact CG2-CD1 4.25Å
454	I	68.3	Low	58.7	Low	38 Å²	38	75.6 Å²	75.6	20%	0.195	39%	0.391	C	S	.	.	H	α-helix	trans	-83.4	-45	168.7	-57.8	166.5	0	0	0	110.8	I278 Y279 A282 V371 G450 K451 R452	I278-I454 HydrophobicContact CB-CD1 4.42Å; I278-I454 HydrophobicContact CG2-CD1 3.7Å; Y279-I454 HydrophobicContact CD2-CD1 4.22Å; Y279-I454 HydrophobicContact CD2-CG1 3.55Å; Y279-I454 HydrophobicContact CE2-CG1 4.05Å; Y279-I454 HydrophobicContact CG-CG1 4.4Å; A282-I454 HydrophobicContact CB-CD1 4Å; A282-I454 HydrophobicContact CB-CG1 4.45Å; V371-I454 HydrophobicContact CG2-CG1 4.04Å; V371-I454 HydrophobicContact CG2-CG2 4.34Å; G450-I454 VanDerWaalsContact O-CD1 3.3Å; G450-I454 WeakPolarHBondContact O-CD1 3.44Å; G450-I454 VanDerWaalsContact O-CG1 3.28Å; G450-I454 WeakPolarHBondContact O-CG1 3.18Å; K451-I454 PolarHBondContact O-N 3.15Å; R452-I454 PolarHBondContact O-N 3.17Å; R452-I454 VanDerWaalsContact O-N 3.14Å
455	V	49.4	Very low	55.9	Low	81 Å²	81	78.5 Å²	78.5	49%	0.491	41%	0.411	S	S	.	.	H	α-helix	trans	-78.4	-31.9	-172.7	178	0	0	0	0	111.1	K451 R452 I457	K451-V455 PolarHBondContact O-N 3.34Å; R452-V455 PolarHBondContact O-N 2.58Å; R452-V455 VanDerWaalsContact O-N 3.11Å; V455-I457 PolarHBondContact O-N 2.93Å
456	L	40	Very low	52.9	Low	23 Å²	23	84.1 Å²	84.1	12%	0.12	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-27.1	179.9	-112.2	141.9	0	0	0	115.1	R452 I453 V493 P494	R452-L456 HydrophobicContact CB-CD1 4.34Å; R452-L456 WeakPolarHBondContact O-CB 3.29Å; R452-L456 WeakPolarHBondContact O-CD1 3.49Å; R452-L456 PolarHBondContact O-N 2.89Å; I453-L456 HydrophobicContact CG2-CD1 4.25Å; L456-V493 HydrophobicContact CB-CG1 4.33Å; L456-V493 HydrophobicContact CD1-CB 4.25Å; L456-V493 HydrophobicContact CD1-CG2 4.22Å; L456-V493 HydrophobicContact CD2-CB 3.86Å; L456-V493 HydrophobicContact CD2-CG1 3.3Å; L456-V493 HydrophobicContact CD2-CG2 4.48Å; L456-V493 VanDerWaalsContact CG-CA 3.48Å; L456-V493 HydrophobicContact CG-CB 3.6Å; L456-V493 HydrophobicContact CG-CG1 3.44Å; L456-V493 VanDerWaalsContact CG-CG1 3.44Å; L456-V493 HydrophobicContact CG-CG2 3.68Å; L456-P494 VanDerWaalsContact CD1-CD 3.49Å; L456-P494 HydrophobicContact CD1-CG 4.23Å; L456-P494 HydrophobicContact CD2-CG 3.54Å; L456-P494 WeakPolarHBondContact CD2-O 3.05Å; L456-P494 HydrophobicContact CG-CG 4.47Å
457	I	41.2	Very low	50	Low	25 Å²	25	85.9 Å²	85.9	13%	0.128	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	13.4	-157.9	-36.6	178.9	0	0	0	114.1	F368 A369 V455 V459	F368-I457 WeakPolarHBondContact O-CD1 3.49Å; A369-I457 HydrophobicContact CB-CG2 3.38Å; A369-I457 WeakPolarHBondContact O-CB 3.35Å; A369-I457 WeakPolarHBondContact O-CD1 3.49Å; A369-I457 WeakPolarHBondContact O-CG1 2.96Å; A369-I457 WeakPolarHBondContact O-CG2 3.24Å; V455-I457 PolarHBondContact O-N 2.93Å; I457-V459 PolarHBondContact O-N 3.05Å
458	F	28.4	Very low	46.8	Very low	186 Å²	186	89 Å²	89	82%	0.816	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	10.8	166.1	-104.8	-82.9	0	0	0	114.4
459	V	29.7	Very low	44	Very low	70 Å²	70	93.3 Å²	93.3	42%	0.424	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-0.3	-174.2	-172.5	0	0	0	0	114.2	I457 R501	I457-V459 PolarHBondContact O-N 3.05Å; V459-R501 PolarHBondContact O-NH2 2.83Å; V459-R501 VanDerWaalsContact O-NH2 3.16Å
460	I	30.3	Very low	41.1	Very low	89 Å²	89	97.3 Å²	97.3	46%	0.456	53%	0.525	S	S	.	.			trans	-110.3	88.5	172.6	-53.2	176.5	0	0	0	108.9
461	N	32	Very low	38.4	Very low	135 Å²	135	103.6 Å²	103.6	72%	0.722	56%	0.564	S	S	*	*			trans	-168.7	47.3	154.7	-96.9	-33.5	0	0	0	113.3	K463	N461-K463 VanDerWaalsContact C-N 3.32Å
462	G	29.1	Very low	35.8	Very low	70 Å²	70	109.4 Å²	109.4	72%	0.722	59%	0.592	S	S	*	*	S	Bend	trans	-94.5	58.9	156.6	0	0	0	0	0	111.1
463	K	31	Very low	33.6	Very low	193 Å²	193	110.4 Å²	110.4	84%	0.839	62%	0.617	S	S	*	*			trans	30.2	120.9	158.7	-63.7	179.9	176.8	-178.6	0	119.8	N461	N461-K463 VanDerWaalsContact C-N 3.32Å
464	L	25.7	Very low	31.4	Very low	149 Å²	149	115.1 Å²	115.1	78%	0.78	65%	0.646	S	S	*	*			trans	-148.5	112.6	134.2	-161.7	71.9	0	0	0	110.1	L466	L464-L466 HydrophobicContact CD2-CD2 3.9Å; L464-L466 HydrophobicContact CD2-CG 4.23Å
465	S	25.6	Very low	29.6	Very low	110 Å²	110	121.8 Å²	121.8	77%	0.769	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-78.5	118.5	159.8	44.6	0	0	0	0	107.8	P467	S465-P467 WeakPolarHBondContact O-CD 2.96Å
466	L	22.5	Very low	28.9	Very low	149 Å²	149	126.2 Å²	126.2	78%	0.78	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-92.8	118.3	172	-76.4	168.5	0	0	0	109.6	L464	L464-L466 HydrophobicContact CD2-CD2 3.9Å; L464-L466 HydrophobicContact CD2-CG 4.23Å
467	P	23.4	Very low	28.9	Very low	106 Å²	106	131.1 Å²	131.1	69%	0.688	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-76.6	146	146.3	25.6	-13.6	0	0	0	109.4	S465 I469	S465-P467 WeakPolarHBondContact O-CD 2.96Å; P467-I469 PolarHBondContact O-N 3.16Å
468	F	19.3	Very low	28.8	Very low	217 Å²	217	138.7 Å²	138.7	95%	0.952	75%	0.745	S	S	*	*			trans	-38.3	116.5	175.3	-91.4	-111	0	0	0	113.7
469	I	24.9	Very low	29.8	Very low	159 Å²	159	137.2 Å²	137.2	82%	0.815	75%	0.745	S	S	*	*			trans	-138.4	131.9	148.3	-58.6	-177	0	0	0	107.6	P467	P467-I469 PolarHBondContact O-N 3.16Å
470	S	24.3	Very low	31.5	Very low	111 Å²	111	140.2 Å²	140.2	78%	0.776	76%	0.758	S	S	*	*			trans	-48.8	135.9	-171.8	44.7	0	0	0	0	115.4	E472	S470-E472 PolarHBondContact O-N 3.34Å
471	T	25.3	Very low	34	Very low	132 Å²	132	140 Å²	140	81%	0.81	75%	0.752	S	S	*	*			trans	-74.8	106.5	170.5	46.9	0	0	0	0	110.7
472	E	27.1	Very low	36.7	Very low	200 Å²	200	136.6 Å²	136.6	94%	0.935	73%	0.731	S	S	*	*	S	Bend	trans	-150.8	-1.9	158.2	-113.3	161.7	-143.4	0	0	115.2	S470	S470-E472 PolarHBondContact O-N 3.34Å
473	G	30.2	Very low	39.7	Very low	68 Å²	68	135.6 Å²	135.6	70%	0.701	71%	0.707	S	S	*	*	S	Bend	trans	-110	-9.8	179.1	0	0	0	0	0	117.4
474	V	30.9	Very low	42.7	Very low	107 Å²	107	126.4 Å²	126.4	65%	0.648	67%	0.667	S	S	*	*	S	Bend	trans	-101.9	-12.1	-165.2	-176.5	0	0	0	0	114.1	Q476	V474-Q476 PolarHBondContact O-N 3.38Å
475	Q	32.4	Very low	46	Very low	177 Å²	177	119.3 Å²	119.3	83%	0.827	63%	0.63	S	S	*	*	H	α-helix	trans	-73.4	-25.3	-178.7	-87	-164	-5.6	0	0	114
476	Q	33.7	Very low	49.3	Very low	174 Å²	174	114.2 Å²	114.2	81%	0.813	59%	0.594	S	S	*	*	H	α-helix	trans	-81.5	-25.1	-175.7	-143.1	156.4	-3.3	0	0	113.4	V474	V474-Q476 PolarHBondContact O-N 3.38Å
477	D	40.4	Very low	52.6	Low	127 Å²	127	108 Å²	108	68%	0.679	56%	0.56	S	S	*	*	H	α-helix	trans	-83.2	-20.1	177.8	-101.2	-4.6	0	0	0	114.2	L479	D477-L479 VanDerWaalsContact C-N 3.33Å
478	R	39.7	Very low	55.8	Low	183 Å²	183	103.6 Å²	103.6	69%	0.691	53%	0.531	S	S	*	.	H	α-helix	trans	-70.4	-28.1	175.1	-85.9	-164.9	-170.9	-172	3.1	113.2	N480	R478-N480 PolarHBondContact O-N 2.01Å
479	L	48.3	Very low	59.1	Low	156 Å²	156	93.9 Å²	93.9	82%	0.817	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.8	-179.7	-97.3	119.6	0	0	0	113.9	D477	D477-L479 VanDerWaalsContact C-N 3.33Å
480	N	65.6	Low	61.9	Low	132 Å²	132	87.9 Å²	87.9	71%	0.706	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.6	14.4	-174.6	-109.6	-5.2	0	0	0	114.9	R478	R478-N480 PolarHBondContact O-N 2.01Å
481	R	83.6	Confident	64.5	Low	86 Å²	86	87.7 Å²	87.7	33%	0.325	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-86.2	136.2	178.2	-67.1	-170.7	172.2	-154.4	-8	111.9	K483 P504 P507 E509	R481-K483 PolarHBondContact O-N 2.78Å; R481-P504 PolarHBondContact NH2-O 2.86Å; R481-P507 CarbonylContact C-O 3.43Å; R481-P507 WeakPolarHBondContact CA-O 3.34Å; R481-E509 HydrophobicContact CB-CG 4.19Å
482	F	87.3	Confident	66.8	Low	63 Å²	63	82 Å²	82	28%	0.276	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	118.5	173.2	-55.1	-59.4	0	0	0	110.2	P507 C508 E509 K521 K768	F482-P507 HydrophobicContact CD2-CB 4.5Å; F482-P507 HydrophobicContact CD2-CG 4.24Å; F482-P507 WeakPolarHBondContact CD2-O 3.4Å; F482-P507 HydrophobicContact CE2-CG 4.12Å; F482-P507 PolarHBondContact N-O 3.04Å; F482-C508 VanDerWaalsContact O-CA 3.25Å; F482-C508 WeakPolarHBondContact O-CA 3.41Å; F482-E509 PolarHBondContact O-N 2.83Å; F482-E509 VanDerWaalsContact O-N 3.1Å; F482-K521 HydrophobicContact CB-CB 4.26Å; F482-K521 HydrophobicContact CB-CD 4.07Å; F482-K521 HydrophobicContact CD1-CD 3.45Å; F482-K521 VanDerWaalsContact CD1-CD 3.45Å; F482-K521 HydrophobicContact CE1-CD 4Å; F482-K521 HydrophobicContact CG-CD 3.77Å; F482-K768 HydrophobicContact CD2-CB 4.48Å; F482-K768 HydrophobicContact CE2-CB 3.97Å; F482-K768 HydrophobicContact CE2-CG 4.03Å
483	K	92.2	Very high	69.5	Low	49 Å²	49	74.3 Å²	74.3	21%	0.213	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	130.4	176.3	-70	-179.4	-172.4	179	0	111.3	R481 E509 E516 K521	R481-K483 PolarHBondContact O-N 2.78Å; K483-E509 WeakPolarHBondContact CE-OE1 3.39Å; K483-E509 HydrophobicContact CG-CG 3.89Å; K483-E509 VanDerWaalsContact CG-OE1 3.27Å; K483-E509 WeakPolarHBondContact CG-OE1 3.34Å; K483-E516 HydrophobicContact CD-CB 4.44Å; K483-E516 HydrophobicContact CD-CG 4.48Å; K483-E516 IonicContact NZ-OE1 3.81Å; K483-E516 PolarHBondContact NZ-OE1 3.02Å; K483-E516 IonicContact NZ-OE2 2.86Å; K483-E516 PolarHBondContact NZ-OE2 3.34Å; K483-K521 PolarHBondContact O-N 2.95Å
484	I	95	Very high	72.2	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	113.5	166.4	-62.9	161.9	0	0	0	106.9	A486 F500 C508 E509 I510 T511 A522 L524 L763 L767	I484-A486 PolarHBondContact O-N 2.88Å; I484-F500 HydrophobicContact CD1-CZ 3.9Å; I484-C508 HydrophobicContact CD1-CB 4.17Å; I484-E509 PolarHBondContact N-O 3.05Å; I484-I510 HydrophobicContact CB-CG1 4.37Å; I484-I510 HydrophobicContact CG2-CD1 4.18Å; I484-I510 HydrophobicContact CG2-CG1 4.31Å; I484-I510 WeakPolarHBondContact O-CA 3.43Å; I484-I510 WeakPolarHBondContact O-CG1 3.28Å; I484-T511 PolarHBondContact O-N 2.77Å; I484-A522 CarbonylContact C-O 3.47Å; I484-A522 WeakPolarHBondContact CA-O 3.17Å; I484-A522 HydrophobicContact CG1-CB 4.44Å; I484-L524 HydrophobicContact CG2-CB 4.39Å; I484-L763 HydrophobicContact CD1-CD2 4.07Å; I484-L763 HydrophobicContact CD1-CG 4.32Å; I484-L767 HydrophobicContact CD1-CD1 3.77Å; I484-L767 HydrophobicContact CG1-CD1 3.55Å
485	L	95.2	Very high	75	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	111.2	176.1	174.1	57.7	0	0	0	110.2	W487 T511 D513 Y517 S520 A522 V523 L524	L485-W487 HydrophobicContact CD2-CE3 3.83Å; L485-W487 HydrophobicContact CD2-CZ3 4.12Å; L485-W487 PolarHBondContact O-N 2.81Å; L485-T511 CarbonylContact C-O 3.57Å; L485-T511 WeakPolarHBondContact CA-O 3.47Å; L485-T511 HydrophobicContact CB-CG2 4.47Å; L485-T511 HydrophobicContact CD1-CG2 4.21Å; L485-D513 WeakPolarHBondContact CD1-O 3.31Å; L485-Y517 HydrophobicContact CD2-CD2 4.1Å; L485-Y517 HydrophobicContact CD2-CG 4.48Å; L485-S520 WeakPolarHBondContact CB-OG 3.41Å; L485-A522 PolarHBondContact N-O 3.44Å; L485-V523 HydrophobicContact CB-CG1 4.49Å; L485-V523 HydrophobicContact CB-CG2 4.43Å; L485-V523 HydrophobicContact CD2-CG1 4.46Å; L485-V523 HydrophobicContact CG-CG1 4.36Å; L485-V523 CarbonylContact O-C 3.57Å; L485-V523 WeakPolarHBondContact O-CA 3.36Å; L485-L524 PolarHBondContact O-N 3.36Å
486	A	94.5	Very high	77.8	Confident	2 Å²	2	63.8 Å²	63.8	2%	0.017	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	95.6	166.2	0	0	0	0	0	110.5	I484 T488 F495 I510 T511 N512	I484-A486 PolarHBondContact O-N 2.88Å; A486-T488 PolarHBondContact O-N 2.62Å; A486-F495 HydrophobicContact CB-CB 4.1Å; A486-F495 HydrophobicContact CB-CD2 3.55Å; A486-F495 HydrophobicContact CB-CE2 4.41Å; A486-F495 HydrophobicContact CB-CG 4.21Å; A486-I510 HydrophobicContact CB-CD1 4.44Å; A486-I510 HydrophobicContact CB-CG1 4.32Å; A486-T511 PolarHBondContact N-O 3Å; A486-N512 WeakPolarHBondContact CB-OD1 3.48Å
487	W	92.2	Very high	80.4	Confident	20 Å²	20	59 Å²	59	8%	0.076	29%	0.288	C	S	.	.	S	Bend	trans	-70.9	-19.6	177.6	-166.1	-79.4	0	0	0	112.9	L485 R514 Y517 V523 L524 F525 D534 P536	L485-W487 HydrophobicContact CD2-CE3 3.83Å; L485-W487 HydrophobicContact CD2-CZ3 4.12Å; L485-W487 PolarHBondContact O-N 2.81Å; W487-R514 VanDerWaalsContact CA-NH1 3.26Å; W487-R514 VanDerWaalsContact NE1-NH1 3.14Å; W487-R514 PolarHBondContact O-NH1 3.06Å; W487-R514 PolarHBondContact O-NH2 3.4Å; W487-Y517 HydrophobicContact CE3-CD2 4.05Å; W487-Y517 HydrophobicContact CH2-CD2 4.49Å; W487-Y517 AromaticContact CZ3-CD2 3.51Å; W487-Y517 HydrophobicContact CZ3-CD2 3.51Å; W487-Y517 HydrophobicContact CZ3-CE2 4.05Å; W487-Y517 HydrophobicContact CZ3-CG 4.08Å; W487-V523 HydrophobicContact CB-CG1 3.43Å; W487-V523 VanDerWaalsContact CB-CG1 3.43Å; W487-V523 HydrophobicContact CD2-CG1 4.17Å; W487-V523 HydrophobicContact CE3-CG1 3.81Å; W487-V523 HydrophobicContact CG-CG1 4.08Å; W487-L524 WeakPolarHBondContact CB-O 3.19Å; W487-L524 PolarHBondContact N-O 2.91Å; W487-F525 HydrophobicContact CB-CD1 3.8Å; W487-F525 HydrophobicContact CB-CE1 3.54Å; W487-F525 HydrophobicContact CB-CE2 4.31Å; W487-F525 HydrophobicContact CB-CG 4.29Å; W487-F525 HydrophobicContact CB-CZ 3.78Å; W487-F525 AromaticContact CD1-CD1 3.63Å; W487-F525 AromaticContact CD1-CE1 3.19Å; W487-F525 AromaticContact CD2-CE1 3.89Å; W487-F525 HydrophobicContact CD2-CE1 3.89Å; W487-F525 HydrophobicContact CD2-CZ 4.07Å; W487-F525 AromaticContact CG-CD1 3.8Å; W487-F525 HydrophobicContact CG-CD1 3.8Å; W487-F525 AromaticContact CG-CE1 3.2Å; W487-F525 HydrophobicContact CG-CE1 3.2Å; W487-F525 AromaticContact CG-CZ 3.67Å; W487-F525 HydrophobicContact CG-CZ 3.67Å; W487-F525 AromaticContact NE1-CE1 3.86Å; W487-D534 PolarHBondContact NE1-O 2.8Å; W487-P536 HydrophobicContact CD2-CG 4.32Å; W487-P536 VanDerWaalsContact CE2-CD 3.45Å; W487-P536 HydrophobicContact CE3-CB 4.42Å; W487-P536 HydrophobicContact CE3-CG 4.32Å; W487-P536 HydrophobicContact CH2-CB 3.73Å; W487-P536 HydrophobicContact CH2-CG 4.29Å; W487-P536 HydrophobicContact CZ2-CB 4.1Å; W487-P536 HydrophobicContact CZ2-CG 4.3Å; W487-P536 VanDerWaalsContact CZ2-N 3.28Å; W487-P536 HydrophobicContact CZ3-CB 3.92Å; W487-P536 HydrophobicContact CZ3-CG 4.3Å
488	T	90.4	Very high	82.6	Confident	12 Å²	12	54.5 Å²	54.5	7%	0.074	27%	0.267	C	S	.	.	S	Bend	trans	-139.7	149.4	170.2	59.3	0	0	0	0	107.9	A486 F495 L524 F525 H526 D529 I530	A486-T488 PolarHBondContact O-N 2.62Å; T488-F495 WeakPolarHBondContact O-CE2 3.47Å; T488-L524 PolarHBondContact N-O 2.71Å; T488-F525 WeakPolarHBondContact OG1-CA 3.42Å; T488-H526 PolarHBondContact OG1-N 2.67Å; T488-D529 HydrophobicContact CG2-CB 4.3Å; T488-I530 HydrophobicContact CG2-CG1 4.11Å
489	G	87	Confident	85.1	Confident	14 Å²	14	46.7 Å²	46.7	14%	0.144	24%	0.24	C	C	.	.			trans	-69.4	170.7	163.3	0	0	0	0	0	112.2	V493 H526	G489-V493 CarbonylContact C-O 3.54Å; G489-V493 WeakPolarHBondContact CA-O 3.29Å; G489-H526 WeakPolarHBondContact O-CB 3.31Å
490	F	84.4	Confident	87.1	Confident	32 Å²	32	39.7 Å²	39.7	14%	0.14	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-93	107.8	169.9	178.3	-130.4	0	0	0	110.2	G492 V493 F495 H526 F548 K550	F490-G492 PolarHBondContact O-N 2.94Å; F490-V493 PolarHBondContact N-O 3.11Å; F490-V493 WeakPolarHBondContact O-CB 3.49Å; F490-V493 VanDerWaalsContact O-CG2 3.25Å; F490-V493 WeakPolarHBondContact O-CG2 3.48Å; F490-V493 PolarHBondContact O-N 2.82Å; F490-V493 VanDerWaalsContact O-N 3.1Å; F490-F495 HydrophobicContact CB-CE1 4.4Å; F490-F495 HydrophobicContact CB-CE2 4.21Å; F490-F495 HydrophobicContact CB-CZ 3.74Å; F490-H526 AromaticContact CD2-CD2 3.68Å; F490-H526 AromaticContact CD2-CE1 3.72Å; F490-H526 AromaticContact CD2-CG 3.86Å; F490-H526 AromaticContact CD2-ND1 3.89Å; F490-H526 AromaticContact CD2-NE2 3.61Å; F490-H526 AromaticContact CE2-CD2 3.96Å; F490-H526 AromaticContact CE2-CE1 3.98Å; F490-H526 AromaticContact CE2-NE2 3.57Å; F490-F548 HydrophobicContact CB-CD1 4.41Å; F490-F548 HydrophobicContact CB-CE1 3.94Å; F490-F548 HydrophobicContact CD1-CE1 4.15Å; F490-F548 AromaticContact CD2-CD1 3.95Å; F490-F548 HydrophobicContact CD2-CD1 3.95Å; F490-F548 AromaticContact CD2-CE1 3.5Å; F490-F548 HydrophobicContact CD2-CE1 3.5Å; F490-F548 AromaticContact CE2-CE1 3.98Å; F490-F548 HydrophobicContact CE2-CE1 3.98Å; F490-F548 HydrophobicContact CG-CD1 4.32Å; F490-F548 AromaticContact CG-CE1 3.61Å; F490-F548 HydrophobicContact CG-CE1 3.61Å; F490-F548 HydrophobicContact CZ-CE1 4.49Å; F490-K550 HydrophobicContact CE1-CD 4.09Å; F490-K550 HydrophobicContact CE2-CB 4.3Å; F490-K550 HydrophobicContact CE2-CG 4.47Å; F490-K550 HydrophobicContact CZ-CB 3.93Å; F490-K550 HydrophobicContact CZ-CD 3.85Å; F490-K550 HydrophobicContact CZ-CG 4.1Å
491	W	78.7	Confident	88.3	Confident	108 Å²	108	38.8 Å²	38.8	41%	0.409	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	33.2	-164.4	-62	110.7	0	0	0	113	R452 V493 H526 D529 E551	R452-W491 WeakPolarHBondContact CG-O 3.37Å; R452-W491 PolarHBondContact NE-O 3.29Å; W491-V493 VanDerWaalsContact C-N 3.31Å; W491-H526 AromaticContact CD2-CE1 3.82Å; W491-H526 AromaticContact CE2-CE1 3.98Å; W491-H526 PolarHBondContact N-ND1 3.39Å; W491-D529 WeakPolarHBondContact CA-OD2 2.88Å; W491-D529 PolarHBondContact N-OD2 2.69Å; W491-E551 HydrophobicContact CH2-CG 4.26Å; W491-E551 HydrophobicContact CZ2-CG 3.38Å
492	G	74.3	Confident	88.6	Confident	12 Å²	12	38.4 Å²	38.4	12%	0.124	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	10.4	-174.9	0	0	0	0	0	116	R452 F490 P494 D529	R452-G492 VanDerWaalsContact NH1-CA 3.27Å; F490-G492 PolarHBondContact O-N 2.94Å; G492-P494 WeakPolarHBondContact O-CD 3.4Å; G492-D529 PolarHBondContact N-OD1 3.25Å; G492-D529 PolarHBondContact N-OD2 2.82Å
493	V	82.7	Confident	88.7	Confident	39 Å²	39	36.5 Å²	36.5	24%	0.236	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-82.6	104	170.2	171	0	0	0	0	109.9	L456 G489 F490 W491	L456-V493 HydrophobicContact CB-CG1 4.33Å; L456-V493 HydrophobicContact CD1-CB 4.25Å; L456-V493 HydrophobicContact CD1-CG2 4.22Å; L456-V493 HydrophobicContact CD2-CB 3.86Å; L456-V493 HydrophobicContact CD2-CG1 3.3Å; L456-V493 HydrophobicContact CD2-CG2 4.48Å; L456-V493 VanDerWaalsContact CG-CA 3.48Å; L456-V493 HydrophobicContact CG-CB 3.6Å; L456-V493 HydrophobicContact CG-CG1 3.44Å; L456-V493 VanDerWaalsContact CG-CG1 3.44Å; L456-V493 HydrophobicContact CG-CG2 3.68Å; G489-V493 CarbonylContact C-O 3.54Å; G489-V493 WeakPolarHBondContact CA-O 3.29Å; F490-V493 PolarHBondContact N-O 3.11Å; F490-V493 WeakPolarHBondContact O-CB 3.49Å; F490-V493 VanDerWaalsContact O-CG2 3.25Å; F490-V493 WeakPolarHBondContact O-CG2 3.48Å; F490-V493 PolarHBondContact O-N 2.82Å; F490-V493 VanDerWaalsContact O-N 3.1Å; W491-V493 VanDerWaalsContact C-N 3.31Å
494	P	87.5	Confident	88.3	Confident	56 Å²	56	38 Å²	38	36%	0.364	20%	0.202	S	C	.	.			trans	-54.4	148	169.1	20.9	-34.4	0	0	0	112	L456 G492 N512	L456-P494 VanDerWaalsContact CD1-CD 3.49Å; L456-P494 HydrophobicContact CD1-CG 4.23Å; L456-P494 HydrophobicContact CD2-CG 3.54Å; L456-P494 WeakPolarHBondContact CD2-O 3.05Å; L456-P494 HydrophobicContact CG-CG 4.47Å; G492-P494 WeakPolarHBondContact O-CD 3.4Å; P494-N512 WeakPolarHBondContact CA-OD1 3.02Å; P494-N512 HydrophobicContact CB-CB 4.44Å; P494-N512 VanDerWaalsContact CB-OD1 3.23Å; P494-N512 WeakPolarHBondContact CB-OD1 3.25Å
495	F	90	Very high	87.8	Confident	18 Å²	18	45.3 Å²	45.3	8%	0.079	24%	0.241	C	C	.	.			trans	-86.4	156.1	178.4	-67.1	-91.3	0	0	0	110.3	A486 T488 F490 V499 I510 N512 L524 F548 F760	A486-F495 HydrophobicContact CB-CB 4.1Å; A486-F495 HydrophobicContact CB-CD2 3.55Å; A486-F495 HydrophobicContact CB-CE2 4.41Å; A486-F495 HydrophobicContact CB-CG 4.21Å; T488-F495 WeakPolarHBondContact O-CE2 3.47Å; F490-F495 HydrophobicContact CB-CE1 4.4Å; F490-F495 HydrophobicContact CB-CE2 4.21Å; F490-F495 HydrophobicContact CB-CZ 3.74Å; F495-V499 HydrophobicContact CD1-CG1 3.99Å; F495-I510 HydrophobicContact CB-CD1 3.41Å; F495-I510 VanDerWaalsContact CB-CD1 3.41Å; F495-I510 HydrophobicContact CB-CG1 3.83Å; F495-I510 HydrophobicContact CB-CG2 4.31Å; F495-I510 HydrophobicContact CD1-CD1 4.28Å; F495-I510 HydrophobicContact CG-CD1 3.88Å; F495-N512 PolarHBondContact N-OD1 2.97Å; F495-N512 VanDerWaalsContact N-OD1 3.07Å; F495-N512 PolarHBondContact O-ND2 3.33Å; F495-L524 HydrophobicContact CD1-CD2 4.48Å; F495-L524 HydrophobicContact CD2-CD2 4.12Å; F495-L524 HydrophobicContact CE1-CD2 4.13Å; F495-L524 HydrophobicContact CE2-CD2 3.71Å; F495-L524 HydrophobicContact CG-CD2 4.46Å; F495-L524 HydrophobicContact CZ-CD2 3.69Å; F495-F548 HydrophobicContact CE1-CE1 4.22Å; F495-F548 HydrophobicContact CE1-CZ 4.34Å; F495-F548 AromaticContact CZ-CD1 3.83Å; F495-F548 HydrophobicContact CZ-CD1 3.83Å; F495-F548 AromaticContact CZ-CE1 3.8Å; F495-F548 HydrophobicContact CZ-CE1 3.8Å; F495-F548 HydrophobicContact CZ-CG 4.37Å; F495-F548 HydrophobicContact CZ-CZ 4.33Å; F495-F760 HydrophobicContact CD1-CE1 4.38Å; F495-F760 HydrophobicContact CD1-CE2 4.2Å; F495-F760 AromaticContact CD1-CZ 3.62Å; F495-F760 HydrophobicContact CD1-CZ 3.62Å; F495-F760 AromaticContact CE1-CE2 3.93Å; F495-F760 HydrophobicContact CE1-CE2 3.93Å; F495-F760 AromaticContact CE1-CZ 3.44Å; F495-F760 HydrophobicContact CE1-CZ 3.44Å; F495-F760 VanDerWaalsContact CE1-CZ 3.44Å; F495-F760 HydrophobicContact CZ-CZ 4.28Å
496	N	90.6	Very high	87.3	Confident	57 Å²	57	46.7 Å²	46.7	31%	0.305	25%	0.25	S	C	.	.			trans	-144.7	169.8	172.1	63.3	47.2	0	0	0	109.3	S498 V499 I510	N496-S498 PolarHBondContact O-N 2.88Å; N496-S498 WeakPolarHBondContact OD1-CB 3.44Å; N496-S498 PolarHBondContact OD1-N 3.02Å; N496-S498 PolarHBondContact OD1-OG 3.27Å; N496-V499 WeakPolarHBondContact O-CG1 3.21Å; N496-V499 WeakPolarHBondContact O-CG2 3.49Å; N496-V499 PolarHBondContact O-N 3.15Å; N496-I510 VanDerWaalsContact O-CG2 3.29Å; N496-I510 WeakPolarHBondContact O-CG2 3.44Å
497	D	88.3	Confident	87.1	Confident	72 Å²	72	48.4 Å²	48.4	39%	0.385	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-60.6	-9.2	-175.2	-77.7	-11.9	0	0	0	114.8	V499 F500 E509 I510	D497-V499 PolarHBondContact O-N 2.78Å; D497-V499 VanDerWaalsContact O-N 3.15Å; D497-F500 PolarHBondContact O-N 2.75Å; D497-E509 WeakPolarHBondContact OD1-CA 3.21Å; D497-I510 PolarHBondContact OD1-N 2.59Å
498	S	87.8	Confident	87.1	Confident	33 Å²	33	47.4 Å²	47.4	23%	0.231	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-62.9	-16.6	170.6	79.5	0	0	0	0	113.1	N496 F500 R501	N496-S498 PolarHBondContact O-N 2.88Å; N496-S498 WeakPolarHBondContact OD1-CB 3.44Å; N496-S498 PolarHBondContact OD1-N 3.02Å; N496-S498 PolarHBondContact OD1-OG 3.27Å; S498-F500 PolarHBondContact O-N 2.8Å; S498-R501 VanDerWaalsContact O-CB 3.25Å; S498-R501 WeakPolarHBondContact O-CB 3.45Å; S498-R501 PolarHBondContact O-N 2.69Å; S498-R501 VanDerWaalsContact O-N 3.1Å
499	V	90.8	Very high	87.2	Confident	19 Å²	19	49 Å²	49	12%	0.115	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-61	-23.5	167.7	-59	0	0	0	0	112.1	F495 N496 D497 I510 S757 F760	F495-V499 HydrophobicContact CD1-CG1 3.99Å; N496-V499 WeakPolarHBondContact O-CG1 3.21Å; N496-V499 WeakPolarHBondContact O-CG2 3.49Å; N496-V499 PolarHBondContact O-N 3.15Å; D497-V499 PolarHBondContact O-N 2.78Å; D497-V499 VanDerWaalsContact O-N 3.15Å; V499-I510 HydrophobicContact CG2-CD1 4.46Å; V499-I510 HydrophobicContact CG2-CG2 4.01Å; V499-S757 WeakPolarHBondContact O-CA 3.48Å; V499-S757 VanDerWaalsContact O-CB 3.29Å; V499-S757 WeakPolarHBondContact O-CB 3.33Å; V499-S757 PolarHBondContact O-OG 3.46Å; V499-F760 HydrophobicContact CB-CB 4.04Å; V499-F760 HydrophobicContact CB-CD1 4.1Å; V499-F760 HydrophobicContact CB-CD2 3.66Å; V499-F760 HydrophobicContact CB-CE2 4.12Å; V499-F760 HydrophobicContact CB-CG 3.66Å; V499-F760 HydrophobicContact CG1-CD2 4Å; V499-F760 HydrophobicContact CG1-CE2 3.94Å; V499-F760 HydrophobicContact CG1-CG 4.36Å; V499-F760 HydrophobicContact CG1-CZ 4.26Å; V499-F760 HydrophobicContact CG2-CB 4.03Å; V499-F760 HydrophobicContact CG2-CD1 3.71Å; V499-F760 HydrophobicContact CG2-CD2 4.21Å; V499-F760 HydrophobicContact CG2-CE1 4.21Å; V499-F760 HydrophobicContact CG2-CG 3.71Å
500	F	91.6	Very high	87.6	Confident	9 Å²	9	48.9 Å²	48.9	4%	0.039	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-96.5	16.9	176.2	-54.6	-67	0	0	0	113.3	I484 D497 S498 L502 C503 V506 C508 I510 F760 C764	I484-F500 HydrophobicContact CD1-CZ 3.9Å; D497-F500 PolarHBondContact O-N 2.75Å; S498-F500 PolarHBondContact O-N 2.8Å; F500-L502 VanDerWaalsContact C-N 3.28Å; F500-L502 PolarHBondContact O-N 3.43Å; F500-C503 CarbonylContact O-C 3.55Å; F500-C503 WeakPolarHBondContact O-CA 3.2Å; F500-C503 PolarHBondContact O-N 2.96Å; F500-V506 HydrophobicContact CB-CG2 4.28Å; F500-V506 HydrophobicContact CD1-CG2 3.79Å; F500-V506 HydrophobicContact CE1-CG2 4.39Å; F500-V506 HydrophobicContact CG-CG2 4.1Å; F500-C508 HydrophobicContact CE1-CB 4.37Å; F500-C508 HydrophobicContact CZ-CB 4.08Å; F500-I510 HydrophobicContact CE2-CB 4.04Å; F500-I510 HydrophobicContact CE2-CG2 4.16Å; F500-F760 HydrophobicContact CD1-CB 4.05Å; F500-F760 HydrophobicContact CE1-CB 3.78Å; F500-F760 HydrophobicContact CE1-CD1 4.34Å; F500-F760 WeakPolarHBondContact CE1-O 3.48Å; F500-F760 HydrophobicContact CZ-CD1 4.32Å; F500-C764 HydrophobicContact CE1-CB 4.24Å
501	R	89.7	Confident	88	Confident	113 Å²	113	48.8 Å²	48.8	43%	0.426	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-38	-175.8	-172	-166	-48.9	158.7	4.5	114.1	V459 S498 C503 S757	V459-R501 PolarHBondContact O-NH2 2.83Å; V459-R501 VanDerWaalsContact O-NH2 3.16Å; S498-R501 VanDerWaalsContact O-CB 3.25Å; S498-R501 WeakPolarHBondContact O-CB 3.45Å; S498-R501 PolarHBondContact O-N 2.69Å; S498-R501 VanDerWaalsContact O-N 3.1Å; R501-C503 PolarHBondContact O-N 3.3Å; R501-S757 PolarHBondContact N-OG 3.49Å
502	L	89.4	Confident	88.6	Confident	79 Å²	79	46.4 Å²	46.4	41%	0.414	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-3.9	177.6	-65	-177	0	0	0	113.6	F500 D754 S757 L758	F500-L502 VanDerWaalsContact C-N 3.28Å; F500-L502 PolarHBondContact O-N 3.43Å; L502-D754 HydrophobicContact CD1-CB 3.78Å; L502-S757 PolarHBondContact N-OG 3.08Å; L502-S757 VanDerWaalsContact N-OG 3.12Å; L502-L758 HydrophobicContact CD1-CD2 4.2Å; L502-L758 HydrophobicContact CD1-CG 3.94Å
503	C	89.9	Confident	89.4	Confident	23 Å²	23	49.2 Å²	49.2	16%	0.155	27%	0.269	C	S	.	.			trans	-148.2	57.7	-178.5	63.6	0	0	0	0	112.4	F500 R501 N505 V506 C761	F500-C503 CarbonylContact O-C 3.55Å; F500-C503 WeakPolarHBondContact O-CA 3.2Å; F500-C503 PolarHBondContact O-N 2.96Å; R501-C503 PolarHBondContact O-N 3.3Å; C503-N505 PolarHBondContact O-N 2.95Å; C503-V506 HydrophobicContact CB-CG1 3.71Å; C503-V506 WeakPolarHBondContact O-CG1 3.05Å; C503-V506 VanDerWaalsContact O-CG2 3.31Å; C503-V506 WeakPolarHBondContact O-CG2 3.3Å; C503-V506 PolarHBondContact O-N 3.14Å; C503-C761 HydrophobicContact CB-CB 3.84Å; C503-C761 WeakPolarHBondContact CB-SG 3.46Å; C503-C761 VanDerWaalsContact SG-CA 3.53Å; C503-C761 WeakPolarHBondContact SG-CB 3.42Å; C503-C761 CovalentContact SG-SG 2.01Å; C503-C761 PolarHBondContact SG-SG 3.09Å
504	P	85	Confident	89.6	Confident	80 Å²	80	51.7 Å²	51.7	52%	0.519	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-16.4	-172	26.4	-36.1	0	0	0	114.7	R481	R481-P504 PolarHBondContact NH2-O 2.86Å
505	N	84	Confident	89.6	Confident	153 Å²	153	55.8 Å²	55.8	82%	0.818	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	1.4	-178.7	-59.9	-17.5	0	0	0	113.6	C503	C503-N505 PolarHBondContact O-N 2.95Å
506	V	84.9	Confident	89.5	Confident	29 Å²	29	57.2 Å²	57.2	18%	0.176	30%	0.3	C	S	.	.	S	Bend	trans	-68.1	141.4	174.2	-62.1	0	0	0	0	109.7	F500 C503 C508 C764	F500-V506 HydrophobicContact CB-CG2 4.28Å; F500-V506 HydrophobicContact CD1-CG2 3.79Å; F500-V506 HydrophobicContact CE1-CG2 4.39Å; F500-V506 HydrophobicContact CG-CG2 4.1Å; C503-V506 HydrophobicContact CB-CG1 3.71Å; C503-V506 WeakPolarHBondContact O-CG1 3.05Å; C503-V506 VanDerWaalsContact O-CG2 3.31Å; C503-V506 WeakPolarHBondContact O-CG2 3.3Å; C503-V506 PolarHBondContact O-N 3.14Å; V506-C508 HydrophobicContact CG2-CB 4.48Å; V506-C508 PolarHBondContact O-N 3.41Å; V506-C764 HydrophobicContact CB-CB 4.28Å; V506-C764 HydrophobicContact CG2-CB 4.18Å
507	P	89.6	Confident	89.4	Confident	38 Å²	38	55.9 Å²	55.9	25%	0.247	29%	0.291	C	S	.	.	S	Bend	trans	-80.9	49	-178.7	35.9	-37.4	0	0	0	110.6	R481 F482 K768	R481-P507 CarbonylContact C-O 3.43Å; R481-P507 WeakPolarHBondContact CA-O 3.34Å; F482-P507 HydrophobicContact CD2-CB 4.5Å; F482-P507 HydrophobicContact CD2-CG 4.24Å; F482-P507 WeakPolarHBondContact CD2-O 3.4Å; F482-P507 HydrophobicContact CE2-CG 4.12Å; F482-P507 PolarHBondContact N-O 3.04Å; P507-K768 HydrophobicContact CG-CD 4.02Å
508	C	92.6	Very high	89.3	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	152.8	173.2	-61.2	0	0	0	0	110.8	F482 I484 F500 V506 C764	F482-C508 VanDerWaalsContact O-CA 3.25Å; F482-C508 WeakPolarHBondContact O-CA 3.41Å; I484-C508 HydrophobicContact CD1-CB 4.17Å; F500-C508 HydrophobicContact CE1-CB 4.37Å; F500-C508 HydrophobicContact CZ-CB 4.08Å; V506-C508 HydrophobicContact CG2-CB 4.48Å; V506-C508 PolarHBondContact O-N 3.41Å; C508-C764 HydrophobicContact CB-CB 3.71Å; C508-C764 WeakPolarHBondContact CB-SG 3.31Å; C508-C764 WeakPolarHBondContact SG-CA 3.25Å; C508-C764 WeakPolarHBondContact SG-CB 3.48Å; C508-C764 CovalentContact SG-SG 2.02Å; C508-C764 PolarHBondContact SG-SG 3.34Å
509	E	93.1	Very high	89.3	Confident	44 Å²	44	60.6 Å²	60.6	21%	0.206	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.6	168.7	61.2	-178.8	-156.3	0	0	108.6	R481 F482 K483 I484 D497	R481-E509 HydrophobicContact CB-CG 4.19Å; F482-E509 PolarHBondContact O-N 2.83Å; F482-E509 VanDerWaalsContact O-N 3.1Å; K483-E509 WeakPolarHBondContact CE-OE1 3.39Å; K483-E509 HydrophobicContact CG-CG 3.89Å; K483-E509 VanDerWaalsContact CG-OE1 3.27Å; K483-E509 WeakPolarHBondContact CG-OE1 3.34Å; I484-E509 PolarHBondContact N-O 3.05Å; D497-E509 WeakPolarHBondContact OD1-CA 3.21Å
510	I	94	Very high	89.3	Confident	13 Å²	13	59.8 Å²	59.8	7%	0.067	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.8	177.4	-167.2	155.5	0	0	0	109.7	I484 A486 F495 N496 D497 V499 F500 L524 F760	I484-I510 HydrophobicContact CB-CG1 4.37Å; I484-I510 HydrophobicContact CG2-CD1 4.18Å; I484-I510 HydrophobicContact CG2-CG1 4.31Å; I484-I510 WeakPolarHBondContact O-CA 3.43Å; I484-I510 WeakPolarHBondContact O-CG1 3.28Å; A486-I510 HydrophobicContact CB-CD1 4.44Å; A486-I510 HydrophobicContact CB-CG1 4.32Å; F495-I510 HydrophobicContact CB-CD1 3.41Å; F495-I510 VanDerWaalsContact CB-CD1 3.41Å; F495-I510 HydrophobicContact CB-CG1 3.83Å; F495-I510 HydrophobicContact CB-CG2 4.31Å; F495-I510 HydrophobicContact CD1-CD1 4.28Å; F495-I510 HydrophobicContact CG-CD1 3.88Å; N496-I510 VanDerWaalsContact O-CG2 3.29Å; N496-I510 WeakPolarHBondContact O-CG2 3.44Å; D497-I510 PolarHBondContact OD1-N 2.59Å; V499-I510 HydrophobicContact CG2-CD1 4.46Å; V499-I510 HydrophobicContact CG2-CG2 4.01Å; F500-I510 HydrophobicContact CE2-CB 4.04Å; F500-I510 HydrophobicContact CE2-CG2 4.16Å; I510-L524 HydrophobicContact CD1-CD2 4.43Å; I510-F760 HydrophobicContact CD1-CD1 4.35Å; I510-F760 HydrophobicContact CD1-CE1 3.67Å; I510-F760 HydrophobicContact CD1-CZ 4.4Å
511	T	93.4	Very high	89.2	Confident	30 Å²	30	61.2 Å²	61.2	18%	0.184	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	152.3	179.2	-179.1	0	0	0	0	110	I484 L485 A486 D513 E516	I484-T511 PolarHBondContact O-N 2.77Å; L485-T511 CarbonylContact C-O 3.57Å; L485-T511 WeakPolarHBondContact CA-O 3.47Å; L485-T511 HydrophobicContact CB-CG2 4.47Å; L485-T511 HydrophobicContact CD1-CG2 4.21Å; A486-T511 PolarHBondContact N-O 3Å; T511-D513 PolarHBondContact OG1-N 3.03Å; T511-D513 VanDerWaalsContact OG1-N 3.09Å; T511-E516 HydrophobicContact CG2-CB 4.02Å; T511-E516 HydrophobicContact CG2-CG 4.36Å
512	N	92	Very high	89.4	Confident	58 Å²	58	55.8 Å²	55.8	31%	0.31	30%	0.298	S	S	.	.			trans	-108.2	2.6	170.2	-50.8	-91.5	0	0	0	111.5	A486 P494 F495 R514	A486-N512 WeakPolarHBondContact CB-OD1 3.48Å; P494-N512 WeakPolarHBondContact CA-OD1 3.02Å; P494-N512 HydrophobicContact CB-CB 4.44Å; P494-N512 VanDerWaalsContact CB-OD1 3.23Å; P494-N512 WeakPolarHBondContact CB-OD1 3.25Å; F495-N512 PolarHBondContact N-OD1 2.97Å; F495-N512 VanDerWaalsContact N-OD1 3.07Å; F495-N512 PolarHBondContact O-ND2 3.33Å; N512-R514 PolarHBondContact O-N 3.07Å
513	D	90.5	Very high	89.7	Confident	70 Å²	70	52 Å²	52	37%	0.374	28%	0.278	S	S	.	.			trans	-77.2	116.8	-178.1	-173	-5.6	0	0	0	111.1	L485 T511 N515 E516	L485-D513 WeakPolarHBondContact CD1-O 3.31Å; T511-D513 PolarHBondContact OG1-N 3.03Å; T511-D513 VanDerWaalsContact OG1-N 3.09Å; D513-N515 PolarHBondContact O-N 2.6Å; D513-N515 WeakPolarHBondContact OD1-CB 3.04Å; D513-N515 PolarHBondContact OD1-N 3.5Å; D513-N515 PolarHBondContact OD1-ND2 3.49Å; D513-E516 HydrophobicContact CB-CG 4.11Å; D513-E516 WeakPolarHBondContact O-CB 3.34Å; D513-E516 PolarHBondContact O-N 2.8Å; D513-E516 VanDerWaalsContact O-N 3.12Å
514	R	87.2	Confident	89.9	Confident	92 Å²	92	51 Å²	51	35%	0.347	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-66.1	-23.6	-178.5	-51.7	-49.5	-176.2	127.4	5.8	113.2	W487 N512 E516 Y517 D534	W487-R514 VanDerWaalsContact CA-NH1 3.26Å; W487-R514 VanDerWaalsContact NE1-NH1 3.14Å; W487-R514 PolarHBondContact O-NH1 3.06Å; W487-R514 PolarHBondContact O-NH2 3.4Å; N512-R514 PolarHBondContact O-N 3.07Å; R514-E516 PolarHBondContact O-N 3.37Å; R514-Y517 WeakPolarHBondContact O-CB 3.14Å; R514-Y517 PolarHBondContact O-N 3.39Å; R514-Y517 VanDerWaalsContact O-N 3.16Å; R514-D534 IonicContact NH2-OD2 2.8Å
515	N	87.5	Confident	90.2	Very high	141 Å²	141	47.1 Å²	47.1	75%	0.754	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-66	-18.2	177.4	-58.4	-45.4	0	0	0	111.7	D513 Y517	D513-N515 PolarHBondContact O-N 2.6Å; D513-N515 WeakPolarHBondContact OD1-CB 3.04Å; D513-N515 PolarHBondContact OD1-N 3.5Å; D513-N515 PolarHBondContact OD1-ND2 3.49Å; N515-Y517 VanDerWaalsContact C-N 3.29Å; N515-Y517 PolarHBondContact O-N 3.22Å
516	E	87.5	Confident	90.5	Very high	49 Å²	49	39.9 Å²	39.9	23%	0.229	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-88.3	11.1	177.4	-60.5	-76.3	-163.3	0	0	113	K483 T511 D513 R514 N518 T519 S520	K483-E516 HydrophobicContact CD-CB 4.44Å; K483-E516 HydrophobicContact CD-CG 4.48Å; K483-E516 IonicContact NZ-OE1 3.81Å; K483-E516 PolarHBondContact NZ-OE1 3.02Å; K483-E516 IonicContact NZ-OE2 2.86Å; K483-E516 PolarHBondContact NZ-OE2 3.34Å; T511-E516 HydrophobicContact CG2-CB 4.02Å; T511-E516 HydrophobicContact CG2-CG 4.36Å; D513-E516 HydrophobicContact CB-CG 4.11Å; D513-E516 WeakPolarHBondContact O-CB 3.34Å; D513-E516 PolarHBondContact O-N 2.8Å; D513-E516 VanDerWaalsContact O-N 3.12Å; R514-E516 PolarHBondContact O-N 3.37Å; E516-N518 PolarHBondContact O-N 3.41Å; E516-T519 WeakPolarHBondContact CA-OG1 3.44Å; E516-T519 PolarHBondContact O-N 3.49Å; E516-T519 PolarHBondContact O-OG1 3.23Å; E516-T519 PolarHBondContact OE2-OG1 2.98Å; E516-S520 VanDerWaalsContact O-CB 3.27Å; E516-S520 WeakPolarHBondContact O-CB 3.44Å; E516-S520 PolarHBondContact O-N 3.47Å; E516-S520 PolarHBondContact O-OG 3.48Å
517	Y	89.1	Confident	90.4	Very high	29 Å²	29	38.5 Å²	38.5	11%	0.114	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-45.1	-179.3	172.9	-103.8	0	0	0	112.9	L485 W487 R514 N515 T519 V523 P536 E538 L540 M543 Y545	L485-Y517 HydrophobicContact CD2-CD2 4.1Å; L485-Y517 HydrophobicContact CD2-CG 4.48Å; W487-Y517 HydrophobicContact CE3-CD2 4.05Å; W487-Y517 HydrophobicContact CH2-CD2 4.49Å; W487-Y517 AromaticContact CZ3-CD2 3.51Å; W487-Y517 HydrophobicContact CZ3-CD2 3.51Å; W487-Y517 HydrophobicContact CZ3-CE2 4.05Å; W487-Y517 HydrophobicContact CZ3-CG 4.08Å; R514-Y517 WeakPolarHBondContact O-CB 3.14Å; R514-Y517 PolarHBondContact O-N 3.39Å; R514-Y517 VanDerWaalsContact O-N 3.16Å; N515-Y517 VanDerWaalsContact C-N 3.29Å; N515-Y517 PolarHBondContact O-N 3.22Å; Y517-T519 VanDerWaalsContact C-N 3.28Å; Y517-T519 PolarHBondContact O-N 3.25Å; Y517-V523 HydrophobicContact CD2-CG2 4.04Å; Y517-V523 HydrophobicContact CE2-CG2 4.06Å; Y517-P536 HydrophobicContact CD2-CB 4.22Å; Y517-P536 HydrophobicContact CE1-CB 4.42Å; Y517-P536 HydrophobicContact CE2-CB 3.35Å; Y517-P536 HydrophobicContact CE2-CG 3.97Å; Y517-P536 VanDerWaalsContact CZ-CB 3.48Å; Y517-P536 WeakPolarHBondContact OH-CB 3.18Å; Y517-E538 PolarHBondContact OH-O 2.79Å; Y517-L540 HydrophobicContact CD1-CD1 4.14Å; Y517-L540 HydrophobicContact CE1-CD1 3.63Å; Y517-L540 HydrophobicContact CE1-CG 3.94Å; Y517-M543 HydrophobicContact CD2-CE 3.67Å; Y517-M543 HydrophobicContact CE1-CE 4.27Å; Y517-M543 HydrophobicContact CE2-CE 3.18Å; Y517-M543 HydrophobicContact CG-CE 4.4Å; Y517-Y545 HydrophobicContact CE2-CE1 4.22Å; Y517-Y545 PolarHBondContact OH-OH 3.16Å
518	N	85.6	Confident	90	Very high	117 Å²	117	38.3 Å²	38.3	63%	0.626	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.9	-178.2	-68.8	-18.5	0	0	0	113.6	E516	E516-N518 PolarHBondContact O-N 3.41Å
519	T	87.2	Confident	89.5	Confident	86 Å²	86	39.7 Å²	39.7	53%	0.528	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-9.4	-178	53.7	0	0	0	0	112.3	E516 Y517	E516-T519 WeakPolarHBondContact CA-OG1 3.44Å; E516-T519 PolarHBondContact O-N 3.49Å; E516-T519 PolarHBondContact O-OG1 3.23Å; E516-T519 PolarHBondContact OE2-OG1 2.98Å; Y517-T519 VanDerWaalsContact C-N 3.28Å; Y517-T519 PolarHBondContact O-N 3.25Å
520	S	90.9	Very high	88.8	Confident	2 Å²	2	38.5 Å²	38.5	1%	0.014	20%	0.201	C	C	.	.			trans	-81.4	145.3	-178.1	-69.1	0	0	0	0	112.3	L485 E516	L485-S520 WeakPolarHBondContact CB-OG 3.41Å; E516-S520 VanDerWaalsContact O-CB 3.27Å; E516-S520 WeakPolarHBondContact O-CB 3.44Å; E516-S520 PolarHBondContact O-N 3.47Å; E516-S520 PolarHBondContact O-OG 3.48Å
521	K	90.4	Very high	87.9	Confident	39 Å²	39	40.1 Å²	40.1	17%	0.17	21%	0.209	C	C	.	.	S	Bend	trans	-88.3	-22	176.5	-162	166.1	-169.3	-175.3	0	112.5	F482 K483 H544 L767	F482-K521 HydrophobicContact CB-CB 4.26Å; F482-K521 HydrophobicContact CB-CD 4.07Å; F482-K521 HydrophobicContact CD1-CD 3.45Å; F482-K521 VanDerWaalsContact CD1-CD 3.45Å; F482-K521 HydrophobicContact CE1-CD 4Å; F482-K521 HydrophobicContact CG-CD 3.77Å; K483-K521 PolarHBondContact O-N 2.95Å; K521-H544 PolarHBondContact O-N 3.19Å; K521-H544 VanDerWaalsContact O-N 3.08Å; K521-L767 HydrophobicContact CD-CB 4.43Å; K521-L767 WeakPolarHBondContact CE-O 3.09Å; K521-L767 PolarHBondContact NZ-O 3.38Å
522	A	93.9	Very high	86.7	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	155.9	172.6	0	0	0	0	0	112	I484 L485 H544 V546 L767	I484-A522 CarbonylContact C-O 3.47Å; I484-A522 WeakPolarHBondContact CA-O 3.17Å; I484-A522 HydrophobicContact CG1-CB 4.44Å; L485-A522 PolarHBondContact N-O 3.44Å; A522-H544 CarbonylContact C-O 3.45Å; A522-H544 WeakPolarHBondContact CA-O 3.26Å; A522-H544 HydrophobicContact CB-CB 4.12Å; A522-H544 WeakPolarHBondContact CB-O 3.28Å; A522-V546 HydrophobicContact CB-CG2 4.12Å; A522-L767 HydrophobicContact CB-CD1 3.53Å; A522-L767 HydrophobicContact CB-CD2 3.73Å; A522-L767 HydrophobicContact CB-CG 4.28Å
523	V	94.5	Very high	85.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.3	175.2	-169.5	0	0	0	0	109.3	L485 W487 Y517 F525 M543 H544 Y545 V546	L485-V523 HydrophobicContact CB-CG1 4.49Å; L485-V523 HydrophobicContact CB-CG2 4.43Å; L485-V523 HydrophobicContact CD2-CG1 4.46Å; L485-V523 HydrophobicContact CG-CG1 4.36Å; L485-V523 CarbonylContact O-C 3.57Å; L485-V523 WeakPolarHBondContact O-CA 3.36Å; W487-V523 HydrophobicContact CB-CG1 3.43Å; W487-V523 VanDerWaalsContact CB-CG1 3.43Å; W487-V523 HydrophobicContact CD2-CG1 4.17Å; W487-V523 HydrophobicContact CE3-CG1 3.81Å; W487-V523 HydrophobicContact CG-CG1 4.08Å; Y517-V523 HydrophobicContact CD2-CG2 4.04Å; Y517-V523 HydrophobicContact CE2-CG2 4.06Å; V523-F525 HydrophobicContact CB-CE2 3.66Å; V523-F525 HydrophobicContact CB-CZ 4.16Å; V523-F525 HydrophobicContact CG1-CD2 4.17Å; V523-F525 HydrophobicContact CG1-CE1 4.39Å; V523-F525 HydrophobicContact CG1-CE2 3.3Å; V523-F525 HydrophobicContact CG1-CZ 3.41Å; V523-F525 VanDerWaalsContact CG1-CZ 3.41Å; V523-F525 WeakPolarHBondContact O-CD2 3.42Å; V523-F525 WeakPolarHBondContact O-CE2 2.95Å; V523-M543 HydrophobicContact CG2-CE 3.37Å; V523-M543 HydrophobicContact CG2-CG 3.98Å; V523-M543 HydrophobicContact CG2-SD 3.26Å; V523-M543 WeakPolarHBondContact CG2-SD 3.48Å; V523-H544 PolarHBondContact N-O 2.71Å; V523-Y545 HydrophobicContact CB-CD1 4.38Å; V523-Y545 HydrophobicContact CG2-CE1 4.45Å; V523-Y545 CarbonylContact O-C 3.09Å; V523-V546 PolarHBondContact O-N 3.07Å
524	L	94.4	Very high	84.9	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	131.3	-176.7	-167.3	75.1	0	0	0	111	I484 L485 W487 T488 F495 I510 V546 F548 M570 F760 L763	I484-L524 HydrophobicContact CG2-CB 4.39Å; L485-L524 PolarHBondContact O-N 3.36Å; W487-L524 WeakPolarHBondContact CB-O 3.19Å; W487-L524 PolarHBondContact N-O 2.91Å; T488-L524 PolarHBondContact N-O 2.71Å; F495-L524 HydrophobicContact CD1-CD2 4.48Å; F495-L524 HydrophobicContact CD2-CD2 4.12Å; F495-L524 HydrophobicContact CE1-CD2 4.13Å; F495-L524 HydrophobicContact CE2-CD2 3.71Å; F495-L524 HydrophobicContact CG-CD2 4.46Å; F495-L524 HydrophobicContact CZ-CD2 3.69Å; I510-L524 HydrophobicContact CD1-CD2 4.43Å; L524-V546 HydrophobicContact CD1-CB 3.74Å; L524-V546 HydrophobicContact CD1-CG1 3.61Å; L524-F548 HydrophobicContact CD1-CB 3.69Å; L524-F548 HydrophobicContact CD1-CD2 4.46Å; L524-F548 HydrophobicContact CD1-CG 4.39Å; L524-F548 HydrophobicContact CD2-CB 4.26Å; L524-F548 HydrophobicContact CD2-CG 4.38Å; L524-F548 HydrophobicContact CG-CB 3.83Å; L524-F548 HydrophobicContact CG-CG 4.47Å; L524-M570 HydrophobicContact CD1-SD 4.09Å; L524-F760 HydrophobicContact CD2-CE1 3.86Å; L524-F760 HydrophobicContact CD2-CZ 3.79Å; L524-L763 HydrophobicContact CD1-CD2 4.47Å
525	F	92	Very high	84.5	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	137.4	180	-59.9	-101.9	0	0	0	111.9	W487 T488 V523 I530 M535 P536 Y545 V546 F548 F565 Y566	W487-F525 HydrophobicContact CB-CD1 3.8Å; W487-F525 HydrophobicContact CB-CE1 3.54Å; W487-F525 HydrophobicContact CB-CE2 4.31Å; W487-F525 HydrophobicContact CB-CG 4.29Å; W487-F525 HydrophobicContact CB-CZ 3.78Å; W487-F525 AromaticContact CD1-CD1 3.63Å; W487-F525 AromaticContact CD1-CE1 3.19Å; W487-F525 AromaticContact CD2-CE1 3.89Å; W487-F525 HydrophobicContact CD2-CE1 3.89Å; W487-F525 HydrophobicContact CD2-CZ 4.07Å; W487-F525 AromaticContact CG-CD1 3.8Å; W487-F525 HydrophobicContact CG-CD1 3.8Å; W487-F525 AromaticContact CG-CE1 3.2Å; W487-F525 HydrophobicContact CG-CE1 3.2Å; W487-F525 AromaticContact CG-CZ 3.67Å; W487-F525 HydrophobicContact CG-CZ 3.67Å; W487-F525 AromaticContact NE1-CE1 3.86Å; T488-F525 WeakPolarHBondContact OG1-CA 3.42Å; V523-F525 HydrophobicContact CB-CE2 3.66Å; V523-F525 HydrophobicContact CB-CZ 4.16Å; V523-F525 HydrophobicContact CG1-CD2 4.17Å; V523-F525 HydrophobicContact CG1-CE1 4.39Å; V523-F525 HydrophobicContact CG1-CE2 3.3Å; V523-F525 HydrophobicContact CG1-CZ 3.41Å; V523-F525 VanDerWaalsContact CG1-CZ 3.41Å; V523-F525 WeakPolarHBondContact O-CD2 3.42Å; V523-F525 WeakPolarHBondContact O-CE2 2.95Å; F525-I530 HydrophobicContact CB-CD1 3.95Å; F525-I530 HydrophobicContact CB-CG1 4.35Å; F525-I530 HydrophobicContact CD1-CD1 4.14Å; F525-I530 HydrophobicContact CD1-CG1 4.27Å; F525-I530 HydrophobicContact CG-CD1 4.41Å; F525-M535 HydrophobicContact CD1-SD 4.33Å; F525-M535 HydrophobicContact CE1-CE 4.37Å; F525-M535 HydrophobicContact CE1-SD 4.05Å; F525-P536 HydrophobicContact CE1-CG 4.3Å; F525-P536 HydrophobicContact CZ-CG 3.79Å; F525-Y545 AromaticContact CE2-CD1 3.67Å; F525-Y545 HydrophobicContact CE2-CD1 3.67Å; F525-Y545 HydrophobicContact CE2-CG 4.44Å; F525-Y545 AromaticContact CZ-CD1 3.97Å; F525-Y545 HydrophobicContact CZ-CD1 3.97Å; F525-Y545 HydrophobicContact CZ-CE1 4.5Å; F525-V546 PolarHBondContact N-O 3.26Å; F525-F548 WeakPolarHBondContact O-CA 3.44Å; F525-F548 PolarHBondContact O-N 2.89Å; F525-F565 HydrophobicContact CD1-CE1 4.24Å; F525-F565 AromaticContact CD2-CE1 3.98Å; F525-F565 HydrophobicContact CD2-CE1 3.98Å; F525-F565 AromaticContact CE1-CE1 3.87Å; F525-F565 HydrophobicContact CE1-CE1 3.87Å; F525-F565 AromaticContact CE1-CZ 3.92Å; F525-F565 HydrophobicContact CE1-CZ 3.92Å; F525-F565 AromaticContact CE2-CE1 3.62Å; F525-F565 HydrophobicContact CE2-CE1 3.62Å; F525-F565 AromaticContact CE2-CZ 3.91Å; F525-F565 HydrophobicContact CE2-CZ 3.91Å; F525-F565 HydrophobicContact CG-CE1 4.3Å; F525-F565 AromaticContact CZ-CE1 3.58Å; F525-F565 HydrophobicContact CZ-CE1 3.58Å; F525-F565 AromaticContact CZ-CZ 3.5Å; F525-F565 HydrophobicContact CZ-CZ 3.5Å; F525-F565 VanDerWaalsContact CZ-CZ 3.5Å; F525-Y566 HydrophobicContact CB-CE1 3.89Å; F525-Y566 HydrophobicContact CD2-CE1 4.18Å; F525-Y566 HydrophobicContact CG-CE1 4.17Å
526	H	90.5	Very high	83.8	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.183	C	C	.	.			trans	-107.2	107.9	170	177.1	-126.9	0	0	0	108.3	T488 G489 F490 W491 S528 D529 I530 F548	T488-H526 PolarHBondContact OG1-N 2.67Å; G489-H526 WeakPolarHBondContact O-CB 3.31Å; F490-H526 AromaticContact CD2-CD2 3.68Å; F490-H526 AromaticContact CD2-CE1 3.72Å; F490-H526 AromaticContact CD2-CG 3.86Å; F490-H526 AromaticContact CD2-ND1 3.89Å; F490-H526 AromaticContact CD2-NE2 3.61Å; F490-H526 AromaticContact CE2-CD2 3.96Å; F490-H526 AromaticContact CE2-CE1 3.98Å; F490-H526 AromaticContact CE2-NE2 3.57Å; W491-H526 AromaticContact CD2-CE1 3.82Å; W491-H526 AromaticContact CE2-CE1 3.98Å; W491-H526 PolarHBondContact N-ND1 3.39Å; H526-S528 PolarHBondContact O-N 3.44Å; H526-D529 IonicContact CE1-OD2 3.67Å; H526-D529 PolarHBondContact CE1-OD2 3.19Å; H526-D529 IonicContact CG-OD2 3.93Å; H526-D529 IonicContact ND1-OD2 3.48Å; H526-D529 PolarHBondContact ND1-OD2 2.98Å; H526-D529 WeakPolarHBondContact O-CA 2.96Å; H526-D529 PolarHBondContact O-N 2.65Å; H526-I530 PolarHBondContact O-N 2.75Å; H526-F548 WeakPolarHBondContact CA-O 3.2Å; H526-F548 PolarHBondContact CD2-O 3.06Å
527	P	81.8	Confident	83.1	Confident	1 Å²	1	35.2 Å²	35.2	1%	0.006	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-51.4	-36.7	-171.4	-30.7	33.5	0	0	0	115.7	D529 I530 L547 F548 L558	P527-D529 PolarHBondContact O-N 3.07Å; P527-I530 HydrophobicContact CB-CD1 4.5Å; P527-I530 WeakPolarHBondContact O-CB 3.49Å; P527-I530 PolarHBondContact O-N 2.86Å; P527-I530 VanDerWaalsContact O-N 3.1Å; P527-L547 HydrophobicContact CG-CD1 3.17Å; P527-L547 HydrophobicContact CG-CG 4.42Å; P527-F548 WeakPolarHBondContact CD-O 3.4Å; P527-L558 HydrophobicContact CB-CD2 4.33Å; P527-L558 HydrophobicContact CB-CG 4.49Å; P527-L558 HydrophobicContact CG-CD2 3.94Å; P527-L558 HydrophobicContact CG-CG 4.47Å
528	S	81.7	Confident	82.2	Confident	33 Å²	33	42.3 Å²	42.3	23%	0.231	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-71.1	-14.2	-179.2	-56.7	0	0	0	0	113	H526 N555	H526-S528 PolarHBondContact O-N 3.44Å; S528-N555 PolarHBondContact OG-O 3.36Å
529	D	83.3	Confident	81.9	Confident	30 Å²	30	41.4 Å²	41.4	16%	0.16	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-106.4	1.8	171.4	-70.1	-62.2	0	0	0	112.9	R452 T488 W491 G492 H526 P527 N531	R452-D529 IonicContact CZ-OD1 2.72Å; R452-D529 IonicContact NH1-OD1 3.84Å; R452-D529 IonicContact NH2-OD1 2.89Å; R452-D529 PolarHBondContact NH2-OD1 3.07Å; T488-D529 HydrophobicContact CG2-CB 4.3Å; W491-D529 WeakPolarHBondContact CA-OD2 2.88Å; W491-D529 PolarHBondContact N-OD2 2.69Å; G492-D529 PolarHBondContact N-OD1 3.25Å; G492-D529 PolarHBondContact N-OD2 2.82Å; H526-D529 IonicContact CE1-OD2 3.67Å; H526-D529 PolarHBondContact CE1-OD2 3.19Å; H526-D529 IonicContact CG-OD2 3.93Å; H526-D529 IonicContact ND1-OD2 3.48Å; H526-D529 PolarHBondContact ND1-OD2 2.98Å; H526-D529 WeakPolarHBondContact O-CA 2.96Å; H526-D529 PolarHBondContact O-N 2.65Å; P527-D529 PolarHBondContact O-N 3.07Å; D529-N531 PolarHBondContact O-N 3.3Å
530	I	78.4	Confident	81.8	Confident	19 Å²	19	39.5 Å²	39.5	10%	0.097	21%	0.212	C	C	.	.			trans	-71.1	126.9	176.4	-70.8	177.9	0	0	0	109.9	T488 F525 H526 P527 M535 T561 Y566	T488-I530 HydrophobicContact CG2-CG1 4.11Å; F525-I530 HydrophobicContact CB-CD1 3.95Å; F525-I530 HydrophobicContact CB-CG1 4.35Å; F525-I530 HydrophobicContact CD1-CD1 4.14Å; F525-I530 HydrophobicContact CD1-CG1 4.27Å; F525-I530 HydrophobicContact CG-CD1 4.41Å; H526-I530 PolarHBondContact O-N 2.75Å; P527-I530 HydrophobicContact CB-CD1 4.5Å; P527-I530 WeakPolarHBondContact O-CB 3.49Å; P527-I530 PolarHBondContact O-N 2.86Å; P527-I530 VanDerWaalsContact O-N 3.1Å; I530-M535 HydrophobicContact CD1-SD 4.44Å; I530-M535 HydrophobicContact CG2-CG 4.39Å; I530-M535 HydrophobicContact CG2-SD 3.56Å; I530-M535 VanDerWaalsContact CG2-SD 3.56Å; I530-T561 HydrophobicContact CD1-CG2 3.8Å; I530-Y566 WeakPolarHBondContact CD1-OH 3.34Å
531	N	74	Confident	81.4	Confident	47 Å²	47	43.8 Å²	43.8	25%	0.251	24%	0.24	S	C	.	.			trans	-97.9	118.1	159.7	177.8	1.4	0	0	0	107.8	L441 D529 K533 D534	L441-N531 PolarHBondContact O-ND2 2.78Å; L441-N531 VanDerWaalsContact O-ND2 3.07Å; D529-N531 PolarHBondContact O-N 3.3Å; N531-K533 PolarHBondContact O-N 3.47Å; N531-K533 PolarHBondContact OD1-N 2.83Å; N531-D534 HydrophobicContact CB-CB 4.13Å; N531-D534 CarbonylContact O-C 3.46Å; N531-D534 PolarHBondContact O-N 3.49Å
532	T	67.4	Low	81	Confident	70 Å²	70	46.1 Å²	46.1	43%	0.429	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-10	-178.1	54.4	0	0	0	0	114.5	L560	T532-L560 HydrophobicContact CG2-CB 3.86Å; T532-L560 WeakPolarHBondContact CG2-O 3.1Å
533	K	67.4	Low	80.6	Confident	82 Å²	82	46.2 Å²	46.2	36%	0.357	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-14.2	174.9	-78.8	161.3	166.1	93.8	0	115.5	L441 N531 M535	L441-K533 HydrophobicContact CB-CD 2.99Å; L441-K533 HydrophobicContact CB-CG 4.41Å; L441-K533 HydrophobicContact CD1-CD 4.04Å; L441-K533 HydrophobicContact CD2-CD 4.1Å; L441-K533 HydrophobicContact CG-CD 3.83Å; N531-K533 PolarHBondContact O-N 3.47Å; N531-K533 PolarHBondContact OD1-N 2.83Å; K533-M535 VanDerWaalsContact C-N 3.32Å
534	D	77.4	Confident	80.5	Confident	65 Å²	65	47 Å²	47	35%	0.348	26%	0.256	S	S	.	.	S	Bend	trans	-104.6	58.8	166.6	-179.8	34.4	0	0	0	107.2	W487 R514 N531	W487-D534 PolarHBondContact NE1-O 2.8Å; R514-D534 IonicContact NH2-OD2 2.8Å; N531-D534 HydrophobicContact CB-CB 4.13Å; N531-D534 CarbonylContact O-C 3.46Å; N531-D534 PolarHBondContact O-N 3.49Å
535	M	78.9	Confident	80.5	Confident	44 Å²	44	47 Å²	47	22%	0.217	26%	0.256	C	S	.	.	S	Bend	trans	-107.8	144.8	171.4	-71.8	-68.8	-76.8	0	0	106.7	F525 I530 K533 F565	F525-M535 HydrophobicContact CD1-SD 4.33Å; F525-M535 HydrophobicContact CE1-CE 4.37Å; F525-M535 HydrophobicContact CE1-SD 4.05Å; I530-M535 HydrophobicContact CD1-SD 4.44Å; I530-M535 HydrophobicContact CG2-CG 4.39Å; I530-M535 HydrophobicContact CG2-SD 3.56Å; I530-M535 VanDerWaalsContact CG2-SD 3.56Å; K533-M535 VanDerWaalsContact C-N 3.32Å; M535-F565 HydrophobicContact CE-CD1 3.6Å; M535-F565 HydrophobicContact CE-CD2 3.82Å; M535-F565 HydrophobicContact CE-CE1 3.27Å; M535-F565 HydrophobicContact CE-CE2 3.51Å; M535-F565 HydrophobicContact CE-CG 3.86Å; M535-F565 HydrophobicContact CE-CZ 3.22Å; M535-F565 HydrophobicContact SD-CZ 4.46Å
536	P	74.3	Confident	80.6	Confident	11 Å²	11	47 Å²	47	7%	0.071	26%	0.256	C	S	.	.			trans	-58	154.3	165.6	27	-28.3	0	0	0	108.3	W487 Y517 F525 Y545 F565	W487-P536 HydrophobicContact CD2-CG 4.32Å; W487-P536 VanDerWaalsContact CE2-CD 3.45Å; W487-P536 HydrophobicContact CE3-CB 4.42Å; W487-P536 HydrophobicContact CE3-CG 4.32Å; W487-P536 HydrophobicContact CH2-CB 3.73Å; W487-P536 HydrophobicContact CH2-CG 4.29Å; W487-P536 HydrophobicContact CZ2-CB 4.1Å; W487-P536 HydrophobicContact CZ2-CG 4.3Å; W487-P536 VanDerWaalsContact CZ2-N 3.28Å; W487-P536 HydrophobicContact CZ3-CB 3.92Å; W487-P536 HydrophobicContact CZ3-CG 4.3Å; Y517-P536 HydrophobicContact CD2-CB 4.22Å; Y517-P536 HydrophobicContact CE1-CB 4.42Å; Y517-P536 HydrophobicContact CE2-CB 3.35Å; Y517-P536 HydrophobicContact CE2-CG 3.97Å; Y517-P536 VanDerWaalsContact CZ-CB 3.48Å; Y517-P536 WeakPolarHBondContact OH-CB 3.18Å; F525-P536 HydrophobicContact CE1-CG 4.3Å; F525-P536 HydrophobicContact CZ-CG 3.79Å; P536-Y545 HydrophobicContact CB-CE1 4.48Å; P536-Y545 HydrophobicContact CG-CD1 4.39Å; P536-Y545 HydrophobicContact CG-CE1 3.76Å; P536-F565 HydrophobicContact CG-CE2 4.19Å; P536-F565 HydrophobicContact CG-CZ 3.81Å
537	G	71.5	Confident	80.7	Confident	64 Å²	64	47 Å²	47	66%	0.66	26%	0.256	S	S	*	.	S	Bend	trans	-64.7	-132.2	178.7	0	0	0	0	0	112.5
538	E	70.3	Confident	81.2	Confident	179 Å²	179	47 Å²	47	84%	0.836	26%	0.256	S	S	*	.	S	Bend	trans	-64	147.5	173.9	-65.9	-162.9	156.2	0	0	111.6	Y517 L540	Y517-E538 PolarHBondContact OH-O 2.79Å; E538-L540 PolarHBondContact O-N 3.04Å
539	R	80.2	Confident	81.6	Confident	98 Å²	98	45.5 Å²	45.5	37%	0.37	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-64.9	129.1	179.2	-67.3	-173.5	-61.2	128.2	-0.2	109.5	Y545 F565	R539-Y545 VanDerWaalsContact CA-OH 3.28Å; R539-Y545 WeakPolarHBondContact CA-OH 3.36Å; R539-Y545 HydrophobicContact CB-CD2 4.14Å; R539-Y545 HydrophobicContact CB-CE2 3.53Å; R539-Y545 HydrophobicContact CG-CD1 4.42Å; R539-Y545 HydrophobicContact CG-CD2 3.85Å; R539-Y545 HydrophobicContact CG-CE1 4.22Å; R539-Y545 HydrophobicContact CG-CE2 3.64Å; R539-Y545 HydrophobicContact CG-CG 4.27Å; R539-F565 WeakPolarHBondContact CD-O 3.21Å; R539-F565 HydrophobicContact CG-CD2 4.47Å; R539-F565 HydrophobicContact CG-CE2 4.47Å
540	L	85.3	Confident	81.9	Confident	45 Å²	45	44 Å²	44	24%	0.236	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-71.2	126.9	169	-61.5	-180	0	0	0	108.3	Y517 E538 H542 M543 Y545	Y517-L540 HydrophobicContact CD1-CD1 4.14Å; Y517-L540 HydrophobicContact CE1-CD1 3.63Å; Y517-L540 HydrophobicContact CE1-CG 3.94Å; E538-L540 PolarHBondContact O-N 3.04Å; L540-H542 PolarHBondContact O-N 3.04Å; L540-H542 VanDerWaalsContact O-N 3.14Å; L540-M543 HydrophobicContact CB-CB 4.27Å; L540-M543 HydrophobicContact CB-CE 4.18Å; L540-M543 HydrophobicContact CD1-CE 3.99Å; L540-M543 HydrophobicContact CG-CE 4.27Å; L540-M543 PolarHBondContact O-N 2.81Å; L540-M543 VanDerWaalsContact O-N 3.13Å; L540-Y545 PolarHBondContact N-OH 3.24Å
541	P	81.6	Confident	82.4	Confident	93 Å²	93	44.3 Å²	44.3	60%	0.604	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.6	-168.9	22.6	-33.1	0	0	0	113.6	T774 A775	P541-T774 CarbonylContact O-C 3.51Å; P541-T774 WeakPolarHBondContact O-CA 3.17Å; P541-A775 PolarHBondContact O-N 2.94Å
542	H	81.3	Confident	82.9	Confident	88 Å²	88	42.1 Å²	42.1	41%	0.407	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-1.4	-179	61	-92.4	0	0	0	114.1	L540	L540-H542 PolarHBondContact O-N 3.04Å; L540-H542 VanDerWaalsContact O-N 3.14Å
543	M	87.3	Confident	83.4	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.208	C	C	.	.	S	Bend	trans	-119.5	135.1	-168.8	-175.6	165.5	63.5	0	0	112.8	Y517 V523 L540 Y545 A775	Y517-M543 HydrophobicContact CD2-CE 3.67Å; Y517-M543 HydrophobicContact CE1-CE 4.27Å; Y517-M543 HydrophobicContact CE2-CE 3.18Å; Y517-M543 HydrophobicContact CG-CE 4.4Å; V523-M543 HydrophobicContact CG2-CE 3.37Å; V523-M543 HydrophobicContact CG2-CG 3.98Å; V523-M543 HydrophobicContact CG2-SD 3.26Å; V523-M543 WeakPolarHBondContact CG2-SD 3.48Å; L540-M543 HydrophobicContact CB-CB 4.27Å; L540-M543 HydrophobicContact CB-CE 4.18Å; L540-M543 HydrophobicContact CD1-CE 3.99Å; L540-M543 HydrophobicContact CG-CE 4.27Å; L540-M543 PolarHBondContact O-N 2.81Å; L540-M543 VanDerWaalsContact O-N 3.13Å; M543-Y545 HydrophobicContact CB-CE2 4.39Å; M543-Y545 HydrophobicContact CE-CE1 4.23Å; M543-Y545 HydrophobicContact CE-CE2 4.16Å; M543-Y545 WeakPolarHBondContact CE-OH 3.46Å; M543-Y545 WeakPolarHBondContact O-CD2 3.49Å; M543-Y545 WeakPolarHBondContact O-CE2 3.44Å; M543-A775 WeakPolarHBondContact O-CB 3.43Å
544	H	92.4	Very high	83.4	Confident	18 Å²	18	38.3 Å²	38.3	8%	0.083	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	127.6	177.1	-78.5	-68.4	0	0	0	112.7	K521 A522 V523 V546 T567 L568 L767	K521-H544 PolarHBondContact O-N 3.19Å; K521-H544 VanDerWaalsContact O-N 3.08Å; A522-H544 CarbonylContact C-O 3.45Å; A522-H544 WeakPolarHBondContact CA-O 3.26Å; A522-H544 HydrophobicContact CB-CB 4.12Å; A522-H544 WeakPolarHBondContact CB-O 3.28Å; V523-H544 PolarHBondContact N-O 2.71Å; H544-V546 HydrophobicContact CB-CG2 4.32Å; H544-T567 VanDerWaalsContact CA-OG1 3.24Å; H544-T567 WeakPolarHBondContact CA-OG1 3.41Å; H544-T567 WeakPolarHBondContact CB-OG1 3.33Å; H544-T567 PolarHBondContact ND1-OG1 3.19Å; H544-T567 VanDerWaalsContact ND1-OG1 3.09Å; H544-L568 HydrophobicContact CB-CD1 3.94Å; H544-L568 HydrophobicContact CB-CG 4.39Å; H544-L767 HydrophobicContact CB-CD2 4.05Å
545	Y	92.7	Very high	82.9	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	113.6	171.1	-63.2	-103.3	0	0	0	108.4	Y517 V523 F525 P536 R539 L540 M543 F565 T567 L568	Y517-Y545 HydrophobicContact CE2-CE1 4.22Å; Y517-Y545 PolarHBondContact OH-OH 3.16Å; V523-Y545 HydrophobicContact CB-CD1 4.38Å; V523-Y545 HydrophobicContact CG2-CE1 4.45Å; V523-Y545 CarbonylContact O-C 3.09Å; F525-Y545 AromaticContact CE2-CD1 3.67Å; F525-Y545 HydrophobicContact CE2-CD1 3.67Å; F525-Y545 HydrophobicContact CE2-CG 4.44Å; F525-Y545 AromaticContact CZ-CD1 3.97Å; F525-Y545 HydrophobicContact CZ-CD1 3.97Å; F525-Y545 HydrophobicContact CZ-CE1 4.5Å; P536-Y545 HydrophobicContact CB-CE1 4.48Å; P536-Y545 HydrophobicContact CG-CD1 4.39Å; P536-Y545 HydrophobicContact CG-CE1 3.76Å; R539-Y545 VanDerWaalsContact CA-OH 3.28Å; R539-Y545 WeakPolarHBondContact CA-OH 3.36Å; R539-Y545 HydrophobicContact CB-CD2 4.14Å; R539-Y545 HydrophobicContact CB-CE2 3.53Å; R539-Y545 HydrophobicContact CG-CD1 4.42Å; R539-Y545 HydrophobicContact CG-CD2 3.85Å; R539-Y545 HydrophobicContact CG-CE1 4.22Å; R539-Y545 HydrophobicContact CG-CE2 3.64Å; R539-Y545 HydrophobicContact CG-CG 4.27Å; L540-Y545 PolarHBondContact N-OH 3.24Å; M543-Y545 HydrophobicContact CB-CE2 4.39Å; M543-Y545 HydrophobicContact CE-CE1 4.23Å; M543-Y545 HydrophobicContact CE-CE2 4.16Å; M543-Y545 WeakPolarHBondContact CE-OH 3.46Å; M543-Y545 WeakPolarHBondContact O-CD2 3.49Å; M543-Y545 WeakPolarHBondContact O-CE2 3.44Å; Y545-F565 WeakPolarHBondContact CB-O 3.34Å; Y545-F565 AromaticContact CD1-CE1 3.85Å; Y545-F565 HydrophobicContact CD1-CE1 3.85Å; Y545-F565 AromaticContact CD1-CE2 3.98Å; Y545-F565 HydrophobicContact CD1-CE2 3.98Å; Y545-F565 AromaticContact CD1-CZ 3.41Å; Y545-F565 HydrophobicContact CD1-CZ 3.41Å; Y545-F565 VanDerWaalsContact CD1-CZ 3.41Å; Y545-F565 HydrophobicContact CE1-CE2 4.26Å; Y545-F565 AromaticContact CE1-CZ 3.95Å; Y545-F565 HydrophobicContact CE1-CZ 3.95Å; Y545-F565 HydrophobicContact CG-CE1 4.46Å; Y545-F565 HydrophobicContact CG-CZ 4.33Å; Y545-T567 HydrophobicContact CD2-CG2 4.39Å; Y545-T567 PolarHBondContact N-OG1 3.04Å; Y545-T567 PolarHBondContact O-N 3.45Å; Y545-T567 PolarHBondContact O-OG1 3.26Å; Y545-T567 VanDerWaalsContact O-OG1 3.1Å; Y545-L568 PolarHBondContact O-N 2.96Å; Y545-L568 VanDerWaalsContact O-N 3.15Å
546	V	94.7	Very high	82.1	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.4	-167.2	-171.4	0	0	0	0	110.2	A522 V523 L524 F525 H544 F548 L568 M570 L763	A522-V546 HydrophobicContact CB-CG2 4.12Å; V523-V546 PolarHBondContact O-N 3.07Å; L524-V546 HydrophobicContact CD1-CB 3.74Å; L524-V546 HydrophobicContact CD1-CG1 3.61Å; F525-V546 PolarHBondContact N-O 3.26Å; H544-V546 HydrophobicContact CB-CG2 4.32Å; V546-F548 PolarHBondContact O-N 3.42Å; V546-L568 WeakPolarHBondContact CA-O 3.21Å; V546-L568 HydrophobicContact CG1-CB 4.31Å; V546-L568 HydrophobicContact CG2-CB 4.23Å; V546-L568 HydrophobicContact CG2-CD1 4.34Å; V546-M570 HydrophobicContact CG1-CB 3.7Å; V546-M570 HydrophobicContact CG1-SD 4.46Å; V546-L763 HydrophobicContact CG1-CD1 4.45Å; V546-L763 HydrophobicContact CG2-CD1 4.23Å
547	L	92.5	Very high	81.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	103	172.6	175.3	79.3	0	0	0	110.3	P527 L558 Y566 L568 T569 M570 T571 I784	P527-L547 HydrophobicContact CG-CD1 3.17Å; P527-L547 HydrophobicContact CG-CG 4.42Å; L547-L558 HydrophobicContact CD1-CD2 3.87Å; L547-L558 HydrophobicContact CD2-CD2 4.34Å; L547-Y566 HydrophobicContact CB-CD1 3.7Å; L547-Y566 HydrophobicContact CB-CD2 4.38Å; L547-Y566 HydrophobicContact CB-CE1 3.99Å; L547-Y566 HydrophobicContact CB-CG 3.88Å; L547-Y566 HydrophobicContact CD1-CD1 4.34Å; L547-Y566 HydrophobicContact CD1-CD2 4.25Å; L547-Y566 HydrophobicContact CD1-CE1 3.9Å; L547-Y566 HydrophobicContact CD1-CE2 3.75Å; L547-Y566 HydrophobicContact CD1-CG 4.48Å; L547-L568 PolarHBondContact N-O 3.17Å; L547-T569 HydrophobicContact CD2-CG2 4.14Å; L547-M570 CarbonylContact O-C 3.57Å; L547-M570 WeakPolarHBondContact O-CA 3.31Å; L547-M570 PolarHBondContact O-N 3.1Å; L547-T571 HydrophobicContact CD2-CG2 4.11Å; L547-T571 HydrophobicContact CG-CG2 4.45Å; L547-I784 HydrophobicContact CD2-CD1 3.96Å; L547-I784 HydrophobicContact CD2-CG1 4.26Å; L547-I784 HydrophobicContact CD2-CG2 3.82Å
548	F	93.5	Very high	80.7	Confident	1 Å²	1	34.6 Å²	34.6	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	118.4	171.9	-175.2	-102.7	0	0	0	111.7	F490 F495 L524 F525 H526 P527 V546 K550 M570 V580 F760	F490-F548 HydrophobicContact CB-CD1 4.41Å; F490-F548 HydrophobicContact CB-CE1 3.94Å; F490-F548 HydrophobicContact CD1-CE1 4.15Å; F490-F548 AromaticContact CD2-CD1 3.95Å; F490-F548 HydrophobicContact CD2-CD1 3.95Å; F490-F548 AromaticContact CD2-CE1 3.5Å; F490-F548 HydrophobicContact CD2-CE1 3.5Å; F490-F548 AromaticContact CE2-CE1 3.98Å; F490-F548 HydrophobicContact CE2-CE1 3.98Å; F490-F548 HydrophobicContact CG-CD1 4.32Å; F490-F548 AromaticContact CG-CE1 3.61Å; F490-F548 HydrophobicContact CG-CE1 3.61Å; F490-F548 HydrophobicContact CZ-CE1 4.49Å; F495-F548 HydrophobicContact CE1-CE1 4.22Å; F495-F548 HydrophobicContact CE1-CZ 4.34Å; F495-F548 AromaticContact CZ-CD1 3.83Å; F495-F548 HydrophobicContact CZ-CD1 3.83Å; F495-F548 AromaticContact CZ-CE1 3.8Å; F495-F548 HydrophobicContact CZ-CE1 3.8Å; F495-F548 HydrophobicContact CZ-CG 4.37Å; F495-F548 HydrophobicContact CZ-CZ 4.33Å; L524-F548 HydrophobicContact CD1-CB 3.69Å; L524-F548 HydrophobicContact CD1-CD2 4.46Å; L524-F548 HydrophobicContact CD1-CG 4.39Å; L524-F548 HydrophobicContact CD2-CB 4.26Å; L524-F548 HydrophobicContact CD2-CG 4.38Å; L524-F548 HydrophobicContact CG-CB 3.83Å; L524-F548 HydrophobicContact CG-CG 4.47Å; F525-F548 WeakPolarHBondContact O-CA 3.44Å; F525-F548 PolarHBondContact O-N 2.89Å; H526-F548 WeakPolarHBondContact CA-O 3.2Å; H526-F548 PolarHBondContact CD2-O 3.06Å; P527-F548 WeakPolarHBondContact CD-O 3.4Å; V546-F548 PolarHBondContact O-N 3.42Å; F548-K550 HydrophobicContact CZ-CD 4.18Å; F548-K550 HydrophobicContact CZ-CG 4.24Å; F548-M570 CarbonylContact C-O 3.53Å; F548-M570 VanDerWaalsContact CA-O 3.27Å; F548-M570 WeakPolarHBondContact CA-O 3.22Å; F548-M570 HydrophobicContact CD2-CB 4.35Å; F548-M570 HydrophobicContact CD2-CE 3.96Å; F548-M570 HydrophobicContact CD2-CG 3.74Å; F548-M570 HydrophobicContact CD2-SD 3.86Å; F548-M570 HydrophobicContact CE2-CE 3.88Å; F548-M570 HydrophobicContact CE2-CG 4.32Å; F548-M570 HydrophobicContact CE2-SD 4.4Å; F548-V580 HydrophobicContact CE2-CG1 4.15Å; F548-V580 HydrophobicContact CE2-CG2 4.36Å; F548-F760 HydrophobicContact CE2-CE2 4.18Å; F548-F760 HydrophobicContact CE2-CZ 4.37Å
549	L	89.1	Confident	79.8	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	120.2	-178.8	-174.4	65.7	0	0	0	113.3	E551 A556 L558 M570 T571 Y572 F788	L549-E551 HydrophobicContact CD1-CB 3.95Å; L549-A556 HydrophobicContact CD1-CB 4.18Å; L549-A556 HydrophobicContact CD2-CB 3.55Å; L549-A556 HydrophobicContact CG-CB 4.46Å; L549-L558 HydrophobicContact CD2-CD1 3.97Å; L549-L558 HydrophobicContact CD2-CG 4.39Å; L549-M570 PolarHBondContact N-O 2.73Å; L549-T571 HydrophobicContact CB-CG2 3.96Å; L549-T571 WeakPolarHBondContact O-CA 3.41Å; L549-T571 WeakPolarHBondContact O-CB 3.28Å; L549-Y572 PolarHBondContact O-N 3.35Å; L549-F788 HydrophobicContact CD2-CD1 4Å; L549-F788 HydrophobicContact CD2-CE1 3.26Å; L549-F788 HydrophobicContact CD2-CE2 4.41Å; L549-F788 HydrophobicContact CD2-CZ 3.47Å; L549-F788 VanDerWaalsContact CD2-CZ 3.47Å; L549-F788 HydrophobicContact CG-CE1 4.27Å; L549-F788 HydrophobicContact CG-CZ 4.08Å
550	K	90.1	Very high	78.3	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.185	C	C	.	.			trans	-102.3	-9.9	172.8	-59.6	-177.7	69.5	-178.1	0	113.7	F490 F548 Y572 V580 Y582 E752 E756	F490-K550 HydrophobicContact CE1-CD 4.09Å; F490-K550 HydrophobicContact CE2-CB 4.3Å; F490-K550 HydrophobicContact CE2-CG 4.47Å; F490-K550 HydrophobicContact CZ-CB 3.93Å; F490-K550 HydrophobicContact CZ-CD 3.85Å; F490-K550 HydrophobicContact CZ-CG 4.1Å; F548-K550 HydrophobicContact CZ-CD 4.18Å; F548-K550 HydrophobicContact CZ-CG 4.24Å; K550-Y572 WeakPolarHBondContact O-CD1 3.34Å; K550-V580 HydrophobicContact CD-CG1 4.26Å; K550-V580 HydrophobicContact CG-CG1 4.37Å; K550-Y582 HydrophobicContact CB-CE2 3.88Å; K550-Y582 WeakPolarHBondContact CB-OH 3.23Å; K550-Y582 WeakPolarHBondContact O-CE2 3.45Å; K550-Y582 PolarHBondContact O-OH 2.8Å; K550-E752 VanDerWaalsContact NZ-CG 3.26Å; K550-E752 IonicContact NZ-OE1 3.48Å; K550-E752 PolarHBondContact NZ-OE1 2.99Å; K550-E756 WeakPolarHBondContact CD-OE1 3.5Å; K550-E756 IonicContact NZ-OE1 3.82Å; K550-E756 PolarHBondContact NZ-OE1 2.91Å
551	E	87.5	Confident	76.9	Confident	25 Å²	25	33.4 Å²	33.4	12%	0.117	18%	0.179	C	C	.	.	S	Bend	trans	-83.9	151	178.8	-70.7	-64.3	140.6	0	0	113.1	W491 L549 N555 Y572	W491-E551 HydrophobicContact CH2-CG 4.26Å; W491-E551 HydrophobicContact CZ2-CG 3.38Å; L549-E551 HydrophobicContact CD1-CB 3.95Å; E551-N555 HydrophobicContact CB-CB 4.17Å; E551-N555 PolarHBondContact OE2-ND2 3.31Å; E551-N555 VanDerWaalsContact OE2-ND2 3.11Å; E551-Y572 WeakPolarHBondContact O-CE1 3.48Å
552	P	85.6	Confident	75.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.			trans	-72	160.1	176.6	32.3	-32	0	0	0	111.2	Q554 N555 A556 N674 Y679	P552-Q554 VanDerWaalsContact C-N 3.28Å; P552-Q554 PolarHBondContact O-N 3.1Å; P552-N555 HydrophobicContact CG-CB 4.48Å; P552-N555 PolarHBondContact O-N 2.67Å; P552-A556 PolarHBondContact O-N 3.22Å; P552-N674 HydrophobicContact CB-CB 4.1Å; P552-N674 WeakPolarHBondContact CB-ND2 3.4Å; P552-N674 HydrophobicContact CG-CB 4.08Å; P552-N674 WeakPolarHBondContact CG-ND2 3.45Å; P552-Y679 HydrophobicContact CB-CD1 4.31Å; P552-Y679 HydrophobicContact CB-CD2 3.92Å; P552-Y679 HydrophobicContact CB-CE1 4.28Å; P552-Y679 HydrophobicContact CB-CE2 3.89Å; P552-Y679 HydrophobicContact CB-CG 4.13Å; P552-Y679 VanDerWaalsContact CD-CE2 3.42Å; P552-Y679 WeakPolarHBondContact CD-OH 3.22Å; P552-Y679 HydrophobicContact CG-CD2 4.41Å; P552-Y679 HydrophobicContact CG-CE1 4.05Å; P552-Y679 HydrophobicContact CG-CE2 3.88Å
553	P	76.6	Confident	74.7	Confident	8 Å²	8	33.2 Å²	33.2	5%	0.052	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-50.9	-37.2	-173	-31.7	35	0	0	0	116.2	N555 A556 Y572 F788 I789	P553-N555 PolarHBondContact O-N 3.42Å; P553-A556 PolarHBondContact O-N 3.49Å; P553-Y572 WeakPolarHBondContact CD-OH 3.17Å; P553-F788 HydrophobicContact CB-CD1 4.34Å; P553-F788 HydrophobicContact CG-CD1 3.82Å; P553-F788 HydrophobicContact CG-CE1 3.93Å; P553-F788 WeakPolarHBondContact CG-O 3.43Å; P553-I789 HydrophobicContact CB-CB 4.33Å; P553-I789 HydrophobicContact CB-CG1 4.29Å; P553-I789 HydrophobicContact CB-CG2 4.19Å
554	Q	68.4	Low	74	Confident	65 Å²	65	37.1 Å²	37.1	30%	0.304	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-66.9	-25.7	-179.1	-66.1	74.9	12.6	0	0	113.2	P552 N674 C794	P552-Q554 VanDerWaalsContact C-N 3.28Å; P552-Q554 PolarHBondContact O-N 3.1Å; Q554-N674 PolarHBondContact OE1-ND2 3.11Å; Q554-C794 PolarHBondContact NE2-SG 2.83Å; Q554-C794 VanDerWaalsContact NE2-SG 3.35Å; Q554-C794 PolarHBondContact OE1-SG 3.31Å; Q554-C794 VanDerWaalsContact OE1-SG 3.36Å
555	N	66	Low	73.6	Confident	58 Å²	58	37.2 Å²	37.2	31%	0.31	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-98.8	-6.6	178.3	-66.2	-9	0	0	0	112	S528 E551 P552 P553	S528-N555 PolarHBondContact OG-O 3.36Å; E551-N555 HydrophobicContact CB-CB 4.17Å; E551-N555 PolarHBondContact OE2-ND2 3.31Å; E551-N555 VanDerWaalsContact OE2-ND2 3.11Å; P552-N555 HydrophobicContact CG-CB 4.48Å; P552-N555 PolarHBondContact O-N 2.67Å; P553-N555 PolarHBondContact O-N 3.42Å
556	A	63.4	Low	73.4	Confident	11 Å²	11	37.3 Å²	37.3	9%	0.091	20%	0.202	C	C	.	.			trans	-89.2	120.3	-179.4	0	0	0	0	0	109.2	L549 P552 P553 L558	L549-A556 HydrophobicContact CD1-CB 4.18Å; L549-A556 HydrophobicContact CD2-CB 3.55Å; L549-A556 HydrophobicContact CG-CB 4.46Å; P552-A556 PolarHBondContact O-N 3.22Å; P553-A556 PolarHBondContact O-N 3.49Å; A556-L558 HydrophobicContact CB-CD1 3.7Å; A556-L558 HydrophobicContact CB-CG 3.88Å; A556-L558 PolarHBondContact O-N 3.07Å
557	A	59.4	Low	73.3	Confident	37 Å²	37	37.3 Å²	37.3	31%	0.306	20%	0.202	S	C	.	.			trans	-72.9	36.6	175.1	0	0	0	0	0	112.9	Q559 L560	A557-Q559 PolarHBondContact O-N 3.45Å; A557-L560 HydrophobicContact CB-CD1 4.07Å; A557-L560 WeakPolarHBondContact O-CB 3.04Å; A557-L560 PolarHBondContact O-N 2.78Å; A557-L560 VanDerWaalsContact O-N 3.12Å
558	L	57	Low	73.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-62.4	-27.3	-174.2	-83.2	164.3	0	0	0	113.4	P527 L547 L549 A556 L560 T561 I784 F788 I789	P527-L558 HydrophobicContact CB-CD2 4.33Å; P527-L558 HydrophobicContact CB-CG 4.49Å; P527-L558 HydrophobicContact CG-CD2 3.94Å; P527-L558 HydrophobicContact CG-CG 4.47Å; L547-L558 HydrophobicContact CD1-CD2 3.87Å; L547-L558 HydrophobicContact CD2-CD2 4.34Å; L549-L558 HydrophobicContact CD2-CD1 3.97Å; L549-L558 HydrophobicContact CD2-CG 4.39Å; A556-L558 HydrophobicContact CB-CD1 3.7Å; A556-L558 HydrophobicContact CB-CG 3.88Å; A556-L558 PolarHBondContact O-N 3.07Å; L558-L560 PolarHBondContact O-N 2.68Å; L558-T561 PolarHBondContact O-N 2.74Å; L558-T561 VanDerWaalsContact O-N 3.09Å; L558-T561 PolarHBondContact O-OG1 2.8Å; L558-I784 HydrophobicContact CD1-CG2 4.35Å; L558-I784 HydrophobicContact CD2-CG2 3.57Å; L558-F788 HydrophobicContact CD1-CB 4.18Å; L558-F788 HydrophobicContact CD1-CD1 3.31Å; L558-F788 HydrophobicContact CD1-CE1 3.98Å; L558-F788 HydrophobicContact CD1-CG 4.04Å; L558-I789 HydrophobicContact CB-CD1 3.9Å; L558-I789 HydrophobicContact CB-CG1 4.49Å; L558-I789 HydrophobicContact CD1-CD1 4.35Å; L558-I789 HydrophobicContact CD1-CG1 4.05Å
559	Q	51.2	Low	73.4	Confident	173 Å²	173	37.8 Å²	37.8	81%	0.808	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-60.3	-16.8	176.3	-67.4	-156.5	-13.9	0	0	113.3	A557	A557-Q559 PolarHBondContact O-N 3.45Å
560	L	47.7	Very low	73.7	Confident	105 Å²	105	37.8 Å²	37.8	55%	0.55	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-85.9	-3.9	179.2	-63	175.8	0	0	0	113.8	T532 A557 L558	T532-L560 HydrophobicContact CG2-CB 3.86Å; T532-L560 WeakPolarHBondContact CG2-O 3.1Å; A557-L560 HydrophobicContact CB-CD1 4.07Å; A557-L560 WeakPolarHBondContact O-CB 3.04Å; A557-L560 PolarHBondContact O-N 2.78Å; A557-L560 VanDerWaalsContact O-N 3.12Å; L558-L560 PolarHBondContact O-N 2.68Å
561	T	56.3	Low	73.9	Confident	18 Å²	18	37.8 Å²	37.8	11%	0.11	20%	0.204	C	C	.	.	S	Bend	trans	-103.2	136.7	-174.1	61.7	0	0	0	0	111	I530 L558 K563 Y566	I530-T561 HydrophobicContact CD1-CG2 3.8Å; L558-T561 PolarHBondContact O-N 2.74Å; L558-T561 VanDerWaalsContact O-N 3.09Å; L558-T561 PolarHBondContact O-OG1 2.8Å; T561-K563 PolarHBondContact O-N 3.24Å; T561-Y566 HydrophobicContact CG2-CE2 3.94Å; T561-Y566 WeakPolarHBondContact CG2-OH 3.35Å
562	A	56.3	Low	74.2	Confident	69 Å²	69	36.7 Å²	36.7	57%	0.57	20%	0.199	S	C	*	.			trans	-59.6	131	176.4	0	0	0	0	0	109	D564 F565	A562-D564 PolarHBondContact O-N 2.86Å; A562-F565 HydrophobicContact CB-CB 4.29Å; A562-F565 WeakPolarHBondContact O-CB 3.05Å; A562-F565 PolarHBondContact O-N 3.3Å
563	K	60.8	Low	74.5	Confident	109 Å²	109	36.8 Å²	36.8	47%	0.474	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-22.9	-171.8	-167.5	177.3	178.4	-179	0	114.2	T561 D783	T561-K563 PolarHBondContact O-N 3.24Å; K563-D783 VanDerWaalsContact CE-OD1 3.31Å; K563-D783 WeakPolarHBondContact CE-OD1 3.49Å; K563-D783 WeakPolarHBondContact CE-OD2 3.27Å; K563-D783 IonicContact NZ-OD1 2.69Å; K563-D783 IonicContact NZ-OD2 3.48Å; K563-D783 PolarHBondContact NZ-OD2 2.69Å
564	D	72.5	Confident	75.2	Confident	83 Å²	83	41.7 Å²	41.7	44%	0.444	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.3	18.2	-172.8	-51.9	-52.2	0	0	0	114.1	A562 R777	A562-D564 PolarHBondContact O-N 2.86Å; D564-R777 IonicContact OD1-CZ 2.76Å; D564-R777 IonicContact OD1-NH1 3.78Å; D564-R777 PolarHBondContact OD1-NH1 3.34Å; D564-R777 IonicContact OD1-NH2 2.85Å
565	F	83.5	Confident	76.4	Confident	19 Å²	19	42.1 Å²	42.1	8%	0.083	22%	0.221	C	C	.	.			trans	-79	-38.9	-174.8	-178.1	-101.6	0	0	0	114.2	F525 M535 P536 R539 Y545 A562	F525-F565 HydrophobicContact CD1-CE1 4.24Å; F525-F565 AromaticContact CD2-CE1 3.98Å; F525-F565 HydrophobicContact CD2-CE1 3.98Å; F525-F565 AromaticContact CE1-CE1 3.87Å; F525-F565 HydrophobicContact CE1-CE1 3.87Å; F525-F565 AromaticContact CE1-CZ 3.92Å; F525-F565 HydrophobicContact CE1-CZ 3.92Å; F525-F565 AromaticContact CE2-CE1 3.62Å; F525-F565 HydrophobicContact CE2-CE1 3.62Å; F525-F565 AromaticContact CE2-CZ 3.91Å; F525-F565 HydrophobicContact CE2-CZ 3.91Å; F525-F565 HydrophobicContact CG-CE1 4.3Å; F525-F565 AromaticContact CZ-CE1 3.58Å; F525-F565 HydrophobicContact CZ-CE1 3.58Å; F525-F565 AromaticContact CZ-CZ 3.5Å; F525-F565 HydrophobicContact CZ-CZ 3.5Å; F525-F565 VanDerWaalsContact CZ-CZ 3.5Å; M535-F565 HydrophobicContact CE-CD1 3.6Å; M535-F565 HydrophobicContact CE-CD2 3.82Å; M535-F565 HydrophobicContact CE-CE1 3.27Å; M535-F565 HydrophobicContact CE-CE2 3.51Å; M535-F565 HydrophobicContact CE-CG 3.86Å; M535-F565 HydrophobicContact CE-CZ 3.22Å; M535-F565 HydrophobicContact SD-CZ 4.46Å; P536-F565 HydrophobicContact CG-CE2 4.19Å; P536-F565 HydrophobicContact CG-CZ 3.81Å; R539-F565 WeakPolarHBondContact CD-O 3.21Å; R539-F565 HydrophobicContact CG-CD2 4.47Å; R539-F565 HydrophobicContact CG-CE2 4.47Å; Y545-F565 WeakPolarHBondContact CB-O 3.34Å; Y545-F565 AromaticContact CD1-CE1 3.85Å; Y545-F565 HydrophobicContact CD1-CE1 3.85Å; Y545-F565 AromaticContact CD1-CE2 3.98Å; Y545-F565 HydrophobicContact CD1-CE2 3.98Å; Y545-F565 AromaticContact CD1-CZ 3.41Å; Y545-F565 HydrophobicContact CD1-CZ 3.41Å; Y545-F565 VanDerWaalsContact CD1-CZ 3.41Å; Y545-F565 HydrophobicContact CE1-CE2 4.26Å; Y545-F565 AromaticContact CE1-CZ 3.95Å; Y545-F565 HydrophobicContact CE1-CZ 3.95Å; Y545-F565 HydrophobicContact CG-CE1 4.46Å; Y545-F565 HydrophobicContact CG-CZ 4.33Å; A562-F565 HydrophobicContact CB-CB 4.29Å; A562-F565 WeakPolarHBondContact O-CB 3.05Å; A562-F565 PolarHBondContact O-N 3.3Å
566	Y	89.5	Confident	77.8	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.008	21%	0.21	C	C	.	.			trans	-86.9	149.5	-175.8	-57.1	-78.3	0	0	0	111.6	F525 I530 L547 T561 R777 I784	F525-Y566 HydrophobicContact CB-CE1 3.89Å; F525-Y566 HydrophobicContact CD2-CE1 4.18Å; F525-Y566 HydrophobicContact CG-CE1 4.17Å; I530-Y566 WeakPolarHBondContact CD1-OH 3.34Å; L547-Y566 HydrophobicContact CB-CD1 3.7Å; L547-Y566 HydrophobicContact CB-CD2 4.38Å; L547-Y566 HydrophobicContact CB-CE1 3.99Å; L547-Y566 HydrophobicContact CB-CG 3.88Å; L547-Y566 HydrophobicContact CD1-CD1 4.34Å; L547-Y566 HydrophobicContact CD1-CD2 4.25Å; L547-Y566 HydrophobicContact CD1-CE1 3.9Å; L547-Y566 HydrophobicContact CD1-CE2 3.75Å; L547-Y566 HydrophobicContact CD1-CG 4.48Å; T561-Y566 HydrophobicContact CG2-CE2 3.94Å; T561-Y566 WeakPolarHBondContact CG2-OH 3.35Å; Y566-R777 WeakPolarHBondContact O-CD 3.34Å; Y566-R777 WeakPolarHBondContact O-CG 3.47Å; Y566-I784 HydrophobicContact CD2-CD1 3.25Å; Y566-I784 HydrophobicContact CE2-CD1 4.19Å; Y566-I784 HydrophobicContact CG-CD1 3.68Å
567	T	91.8	Very high	79.3	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.218	C	C	.	.	S	Bend	trans	-108.5	-29.3	174.3	61.4	0	0	0	0	113.1	H544 Y545 A775 R777 S778 A781	H544-T567 VanDerWaalsContact CA-OG1 3.24Å; H544-T567 WeakPolarHBondContact CA-OG1 3.41Å; H544-T567 WeakPolarHBondContact CB-OG1 3.33Å; H544-T567 PolarHBondContact ND1-OG1 3.19Å; H544-T567 VanDerWaalsContact ND1-OG1 3.09Å; Y545-T567 HydrophobicContact CD2-CG2 4.39Å; Y545-T567 PolarHBondContact N-OG1 3.04Å; Y545-T567 PolarHBondContact O-N 3.45Å; Y545-T567 PolarHBondContact O-OG1 3.26Å; Y545-T567 VanDerWaalsContact O-OG1 3.1Å; T567-A775 VanDerWaalsContact CG2-O 3.3Å; T567-A775 WeakPolarHBondContact CG2-O 3.1Å; T567-R777 HydrophobicContact CG2-CG 4.29Å; T567-S778 PolarHBondContact O-N 3.2Å; T567-S778 PolarHBondContact O-OG 3.43Å; T567-A781 WeakPolarHBondContact O-CB 3.5Å
568	L	94	Very high	81	Confident	11 Å²	11	40 Å²	40	6%	0.058	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	149.5	178.6	-64	176.8	0	0	0	109.8	H544 Y545 V546 L547 D577 L763 V766	H544-L568 HydrophobicContact CB-CD1 3.94Å; H544-L568 HydrophobicContact CB-CG 4.39Å; Y545-L568 PolarHBondContact O-N 2.96Å; Y545-L568 VanDerWaalsContact O-N 3.15Å; V546-L568 WeakPolarHBondContact CA-O 3.21Å; V546-L568 HydrophobicContact CG1-CB 4.31Å; V546-L568 HydrophobicContact CG2-CB 4.23Å; V546-L568 HydrophobicContact CG2-CD1 4.34Å; L547-L568 PolarHBondContact N-O 3.17Å; L568-D577 WeakPolarHBondContact CA-OD2 3.46Å; L568-D577 HydrophobicContact CD2-CB 4.23Å; L568-L763 HydrophobicContact CD1-CD1 4.5Å; L568-V766 HydrophobicContact CD1-CG1 4.1Å
569	T	94.1	Very high	82.9	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.7	173.1	66.8	0	0	0	0	111	L547 S576 D577 I578 S780 A781 I784 W787	L547-T569 HydrophobicContact CD2-CG2 4.14Å; T569-S576 WeakPolarHBondContact CB-OG 3.41Å; T569-S576 PolarHBondContact O-OG 3.15Å; T569-S576 WeakPolarHBondContact OG1-CA 3.41Å; T569-S576 PolarHBondContact OG1-OG 2.82Å; T569-D577 PolarHBondContact N-OD2 3.5Å; T569-D577 WeakPolarHBondContact O-CB 3.46Å; T569-D577 PolarHBondContact O-N 2.89Å; T569-D577 PolarHBondContact OG1-N 3.43Å; T569-D577 PolarHBondContact OG1-OD2 3.31Å; T569-I578 PolarHBondContact O-N 2.83Å; T569-S780 VanDerWaalsContact OG1-CB 3.3Å; T569-S780 WeakPolarHBondContact OG1-CB 3.27Å; T569-S780 PolarHBondContact OG1-OG 3.31Å; T569-A781 HydrophobicContact CG2-CB 4.12Å; T569-I784 HydrophobicContact CG2-CD1 4.3Å; T569-I784 HydrophobicContact CG2-CG1 4.17Å; T569-W787 HydrophobicContact CG2-CE3 4.24Å; T569-W787 HydrophobicContact CG2-CH2 4.24Å; T569-W787 HydrophobicContact CG2-CZ3 3.74Å
570	M	96.3	Very high	84.9	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	84.2	178.9	-176.4	168.5	175.4	0	0	110	L524 V546 L547 F548 L549 S576 I578 V580 A759 F760 L763	L524-M570 HydrophobicContact CD1-SD 4.09Å; V546-M570 HydrophobicContact CG1-CB 3.7Å; V546-M570 HydrophobicContact CG1-SD 4.46Å; L547-M570 CarbonylContact O-C 3.57Å; L547-M570 WeakPolarHBondContact O-CA 3.31Å; L547-M570 PolarHBondContact O-N 3.1Å; F548-M570 CarbonylContact C-O 3.53Å; F548-M570 VanDerWaalsContact CA-O 3.27Å; F548-M570 WeakPolarHBondContact CA-O 3.22Å; F548-M570 HydrophobicContact CD2-CB 4.35Å; F548-M570 HydrophobicContact CD2-CE 3.96Å; F548-M570 HydrophobicContact CD2-CG 3.74Å; F548-M570 HydrophobicContact CD2-SD 3.86Å; F548-M570 HydrophobicContact CE2-CE 3.88Å; F548-M570 HydrophobicContact CE2-CG 4.32Å; F548-M570 HydrophobicContact CE2-SD 4.4Å; L549-M570 PolarHBondContact N-O 2.73Å; M570-S576 PolarHBondContact N-OG 3.12Å; M570-I578 CarbonylContact C-O 3.58Å; M570-I578 WeakPolarHBondContact CA-O 3.38Å; M570-I578 HydrophobicContact CB-CB 4.02Å; M570-I578 HydrophobicContact CE-CG2 4.09Å; M570-I578 HydrophobicContact CG-CB 3.77Å; M570-I578 HydrophobicContact CG-CG2 3.71Å; M570-I578 HydrophobicContact SD-CB 4.36Å; M570-I578 HydrophobicContact SD-CG2 4.05Å; M570-V580 HydrophobicContact CB-CG2 4.47Å; M570-V580 HydrophobicContact CE-CG2 3.84Å; M570-V580 HydrophobicContact CG-CG2 3.34Å; M570-V580 HydrophobicContact SD-CG2 4.45Å; M570-A759 HydrophobicContact CE-CB 3.96Å; M570-F760 HydrophobicContact CE-CD1 4.14Å; M570-F760 HydrophobicContact CE-CD2 3.71Å; M570-F760 HydrophobicContact CE-CE1 4.12Å; M570-F760 HydrophobicContact CE-CE2 3.69Å; M570-F760 HydrophobicContact CE-CG 3.94Å; M570-F760 HydrophobicContact CE-CZ 3.89Å; M570-L763 HydrophobicContact SD-CB 4.41Å; M570-L763 HydrophobicContact SD-CD2 3.88Å
571	T	94.2	Very high	87.1	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	174	-167.7	74.1	0	0	0	0	113.8	L547 L549 R573 S576 I578 V580 W787 F788	L547-T571 HydrophobicContact CD2-CG2 4.11Å; L547-T571 HydrophobicContact CG-CG2 4.45Å; L549-T571 HydrophobicContact CB-CG2 3.96Å; L549-T571 WeakPolarHBondContact O-CA 3.41Å; L549-T571 WeakPolarHBondContact O-CB 3.28Å; T571-R573 PolarHBondContact O-N 3.25Å; T571-R573 PolarHBondContact OG1-N 2.76Å; T571-S576 PolarHBondContact N-OG 3.42Å; T571-S576 VanDerWaalsContact N-OG 3.16Å; T571-S576 WeakPolarHBondContact OG1-CB 3.38Å; T571-S576 PolarHBondContact OG1-OG 3.14Å; T571-I578 PolarHBondContact N-O 2.83Å; T571-V580 PolarHBondContact O-N 3.09Å; T571-W787 HydrophobicContact CG2-CH2 4.27Å; T571-W787 HydrophobicContact CG2-CZ3 4.41Å; T571-W787 WeakPolarHBondContact OG1-CH2 3.4Å; T571-F788 HydrophobicContact CG2-CD2 4.45Å; T571-F788 HydrophobicContact CG2-CE2 3.92Å
572	Y	93.2	Very high	88.8	Confident	2 Å²	2	28.7 Å²	28.7	1%	0.008	15%	0.145	C	C	.	.	S	Bend	trans	-66.1	-10	173.1	78.5	-97.8	0	0	0	113.7	L549 K550 E551 P553 Y579 V580 K677 D678 Y679 F788	L549-Y572 PolarHBondContact O-N 3.35Å; K550-Y572 WeakPolarHBondContact O-CD1 3.34Å; E551-Y572 WeakPolarHBondContact O-CE1 3.48Å; P553-Y572 WeakPolarHBondContact CD-OH 3.17Å; Y572-Y579 WeakPolarHBondContact O-CE2 3.2Å; Y572-V580 WeakPolarHBondContact CA-O 3.3Å; Y572-K677 WeakPolarHBondContact CE2-O 3.47Å; Y572-D678 HydrophobicContact CD2-CB 4.41Å; Y572-D678 WeakPolarHBondContact CD2-O 3.46Å; Y572-D678 HydrophobicContact CE2-CB 4.44Å; Y572-Y679 AromaticContact CD1-CD2 3.87Å; Y572-Y679 HydrophobicContact CD1-CD2 3.87Å; Y572-Y679 HydrophobicContact CD1-CE2 4.4Å; Y572-Y679 AromaticContact CD2-CD2 3.98Å; Y572-Y679 HydrophobicContact CD2-CD2 3.98Å; Y572-Y679 AromaticContact CE1-CD2 3.67Å; Y572-Y679 HydrophobicContact CE1-CD2 3.67Å; Y572-Y679 HydrophobicContact CE1-CE2 4.35Å; Y572-Y679 AromaticContact CE2-CD2 3.85Å; Y572-Y679 HydrophobicContact CE2-CD2 3.85Å; Y572-Y679 HydrophobicContact CE2-CG 4.18Å; Y572-Y679 HydrophobicContact CG-CD2 4.03Å; Y572-Y679 AromaticContact CZ-CD2 3.68Å; Y572-F788 HydrophobicContact CD1-CE2 4.45Å; Y572-F788 HydrophobicContact CD1-CZ 4.03Å; Y572-F788 HydrophobicContact CE1-CE1 4.23Å; Y572-F788 AromaticContact CE1-CE2 3.98Å; Y572-F788 HydrophobicContact CE1-CE2 3.98Å; Y572-F788 AromaticContact CE1-CZ 3.39Å; Y572-F788 HydrophobicContact CE1-CZ 3.39Å
573	R	92.7	Very high	90.5	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.011	12%	0.118	C	C	.	.	S	Bend	trans	-72.3	132.4	177.2	-84.6	-158.6	57.6	147.4	0.6	110.4	T571 D575 S576 Y579 W787 F788 D791	T571-R573 PolarHBondContact O-N 3.25Å; T571-R573 PolarHBondContact OG1-N 2.76Å; R573-D575 IonicContact CZ-OD1 2.79Å; R573-D575 IonicContact CZ-OD2 3.79Å; R573-D575 IonicContact NE-OD1 3.75Å; R573-D575 PolarHBondContact NE-OD1 2.68Å; R573-D575 IonicContact NE-OD2 3.56Å; R573-D575 IonicContact NH2-OD1 3.57Å; R573-D575 PolarHBondContact NH2-OD1 3.27Å; R573-D575 IonicContact NH2-OD2 3.52Å; R573-D575 PolarHBondContact NH2-OD2 3.46Å; R573-D575 PolarHBondContact O-N 2.87Å; R573-S576 WeakPolarHBondContact O-CB 3.37Å; R573-S576 PolarHBondContact O-N 3.45Å; R573-Y579 WeakPolarHBondContact O-CD2 3.3Å; R573-W787 HydrophobicContact CB-CH2 3.94Å; R573-W787 HydrophobicContact CB-CZ2 3.62Å; R573-W787 HydrophobicContact CG-CH2 4.47Å; R573-W787 HydrophobicContact CG-CZ2 4.24Å; R573-W787 PolarHBondContact NH1-O 3.04Å; R573-F788 HydrophobicContact CG-CD2 4.09Å; R573-F788 HydrophobicContact CG-CE2 3.93Å; R573-D791 VanDerWaalsContact NH1-C 3.33Å; R573-D791 PolarHBondContact NH1-O 3.09Å
574	R	91.8	Very high	92	Very high	111 Å²	111	23.7 Å²	23.7	42%	0.419	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.2	-176.3	-74.1	-175.2	-66.6	164.8	-2.3	114	Y579 D678 F705	R574-Y579 HydrophobicContact CG-CD2 4.27Å; R574-Y579 HydrophobicContact CG-CE1 4.14Å; R574-Y579 HydrophobicContact CG-CE2 3.8Å; R574-D678 HydrophobicContact CG-CB 4.39Å; R574-D678 IonicContact CZ-OD1 3.24Å; R574-D678 VanDerWaalsContact CZ-OD1 3.23Å; R574-D678 PolarHBondContact N-OD2 3Å; R574-D678 IonicContact NE-OD1 3.43Å; R574-D678 PolarHBondContact NE-OD1 2.96Å; R574-D678 IonicContact NE-OD2 3.26Å; R574-D678 IonicContact NH2-OD1 2.88Å; R574-D678 PolarHBondContact NH2-OD1 3.26Å; R574-F705 HydrophobicContact CG-CE1 4.22Å; R574-F705 HydrophobicContact CG-CZ 4.48Å
575	D	92.9	Very high	93	Very high	74 Å²	74	20.3 Å²	20.3	40%	0.396	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	18.1	175.7	66	-34.6	0	0	0	112.9	R573 W787	R573-D575 IonicContact CZ-OD1 2.79Å; R573-D575 IonicContact CZ-OD2 3.79Å; R573-D575 IonicContact NE-OD1 3.75Å; R573-D575 PolarHBondContact NE-OD1 2.68Å; R573-D575 IonicContact NE-OD2 3.56Å; R573-D575 IonicContact NH2-OD1 3.57Å; R573-D575 PolarHBondContact NH2-OD1 3.27Å; R573-D575 IonicContact NH2-OD2 3.52Å; R573-D575 PolarHBondContact NH2-OD2 3.46Å; R573-D575 PolarHBondContact O-N 2.87Å; D575-W787 PolarHBondContact OD2-NE1 3.08Å
576	S	94.6	Very high	93.2	Very high	10 Å²	10	25.2 Å²	25.2	7%	0.07	11%	0.109	C	C	.	.	S	Bend	trans	-73.2	148.6	165.2	-165.3	0	0	0	0	110.1	T569 M570 T571 R573 I578	T569-S576 WeakPolarHBondContact CB-OG 3.41Å; T569-S576 PolarHBondContact O-OG 3.15Å; T569-S576 WeakPolarHBondContact OG1-CA 3.41Å; T569-S576 PolarHBondContact OG1-OG 2.82Å; M570-S576 PolarHBondContact N-OG 3.12Å; T571-S576 PolarHBondContact N-OG 3.42Å; T571-S576 VanDerWaalsContact N-OG 3.16Å; T571-S576 WeakPolarHBondContact OG1-CB 3.38Å; T571-S576 PolarHBondContact OG1-OG 3.14Å; R573-S576 WeakPolarHBondContact O-CB 3.37Å; R573-S576 PolarHBondContact O-N 3.45Å; S576-I578 WeakPolarHBondContact CB-O 3.45Å; S576-I578 PolarHBondContact O-N 3.24Å; S576-I578 PolarHBondContact OG-O 3.39Å
577	D	94.7	Very high	93.2	Very high	50 Å²	50	32.4 Å²	32.4	27%	0.267	14%	0.14	S	C	.	.	S	Bend	trans	-52.9	-43.3	177.4	-58.8	-64.4	0	0	0	112	L568 T569 S778 S780	L568-D577 WeakPolarHBondContact CA-OD2 3.46Å; L568-D577 HydrophobicContact CD2-CB 4.23Å; T569-D577 PolarHBondContact N-OD2 3.5Å; T569-D577 WeakPolarHBondContact O-CB 3.46Å; T569-D577 PolarHBondContact O-N 2.89Å; T569-D577 PolarHBondContact OG1-N 3.43Å; T569-D577 PolarHBondContact OG1-OD2 3.31Å; D577-S778 VanDerWaalsContact CG-CB 3.44Å; D577-S778 WeakPolarHBondContact OD1-CB 3.27Å; D577-S778 PolarHBondContact OD1-OG 2.89Å; D577-S778 VanDerWaalsContact OD2-CB 3.25Å; D577-S778 WeakPolarHBondContact OD2-CB 3.27Å; D577-S778 PolarHBondContact OD2-OG 2.8Å; D577-S780 PolarHBondContact OD2-OG 3.13Å
578	I	96.8	Very high	92.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.8	168.3	-57.1	92.9	0	0	0	108.6	T569 M570 T571 S576 V580 A759 L763	T569-I578 PolarHBondContact O-N 2.83Å; M570-I578 CarbonylContact C-O 3.58Å; M570-I578 WeakPolarHBondContact CA-O 3.38Å; M570-I578 HydrophobicContact CB-CB 4.02Å; M570-I578 HydrophobicContact CE-CG2 4.09Å; M570-I578 HydrophobicContact CG-CB 3.77Å; M570-I578 HydrophobicContact CG-CG2 3.71Å; M570-I578 HydrophobicContact SD-CB 4.36Å; M570-I578 HydrophobicContact SD-CG2 4.05Å; T571-I578 PolarHBondContact N-O 2.83Å; S576-I578 WeakPolarHBondContact CB-O 3.45Å; S576-I578 PolarHBondContact O-N 3.24Å; S576-I578 PolarHBondContact OG-O 3.39Å; I578-V580 HydrophobicContact CG2-CG2 4.21Å; I578-A759 HydrophobicContact CG2-CB 3.88Å; I578-A759 VanDerWaalsContact CG2-O 3.31Å; I578-A759 WeakPolarHBondContact CG2-O 3.39Å; I578-L763 HydrophobicContact CD1-CD1 3.76Å; I578-L763 HydrophobicContact CG1-CB 4.14Å; I578-L763 HydrophobicContact CG1-CD1 4.29Å
579	Y	95.2	Very high	92.1	Very high	42 Å²	42	43.8 Å²	43.8	17%	0.165	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	125.2	178.5	171.4	-132.4	0	0	0	110.7	Y572 R573 R574 P581 W584 F705	Y572-Y579 WeakPolarHBondContact O-CE2 3.2Å; R573-Y579 WeakPolarHBondContact O-CD2 3.3Å; R574-Y579 HydrophobicContact CG-CD2 4.27Å; R574-Y579 HydrophobicContact CG-CE1 4.14Å; R574-Y579 HydrophobicContact CG-CE2 3.8Å; Y579-P581 HydrophobicContact CD1-CG 4.3Å; Y579-P581 HydrophobicContact CE1-CB 4.22Å; Y579-P581 HydrophobicContact CE1-CG 3.68Å; Y579-P581 HydrophobicContact CE2-CB 3.79Å; Y579-P581 HydrophobicContact CE2-CG 4Å; Y579-P581 VanDerWaalsContact OH-CB 3.25Å; Y579-P581 WeakPolarHBondContact OH-CB 3.43Å; Y579-W584 HydrophobicContact CE1-CE3 4.05Å; Y579-W584 AromaticContact CE1-CZ3 3.88Å; Y579-W584 HydrophobicContact CE1-CZ3 3.88Å; Y579-W584 WeakPolarHBondContact OH-CZ3 3.42Å; Y579-F705 WeakPolarHBondContact OH-CE1 3.33Å
580	V	94.5	Very high	91.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	23%	0.231	C	C	.	.			trans	-127.5	81.2	-175.8	-163.3	0	0	0	0	111.2	F548 K550 M570 T571 Y572 I578 E756 A759	F548-V580 HydrophobicContact CE2-CG1 4.15Å; F548-V580 HydrophobicContact CE2-CG2 4.36Å; K550-V580 HydrophobicContact CD-CG1 4.26Å; K550-V580 HydrophobicContact CG-CG1 4.37Å; M570-V580 HydrophobicContact CB-CG2 4.47Å; M570-V580 HydrophobicContact CE-CG2 3.84Å; M570-V580 HydrophobicContact CG-CG2 3.34Å; M570-V580 HydrophobicContact SD-CG2 4.45Å; T571-V580 PolarHBondContact O-N 3.09Å; Y572-V580 WeakPolarHBondContact CA-O 3.3Å; I578-V580 HydrophobicContact CG2-CG2 4.21Å; V580-E756 HydrophobicContact CG1-CG 4.14Å; V580-A759 HydrophobicContact CB-CB 4.28Å; V580-A759 HydrophobicContact CG1-CB 4.15Å; V580-A759 HydrophobicContact CG2-CB 3.7Å
581	P	93.6	Very high	90	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.019	26%	0.264	C	S	.	.			trans	-81.3	167.6	175.7	32	-32.7	0	0	0	113.4	Y579 G583 M755	Y579-P581 HydrophobicContact CD1-CG 4.3Å; Y579-P581 HydrophobicContact CE1-CB 4.22Å; Y579-P581 HydrophobicContact CE1-CG 3.68Å; Y579-P581 HydrophobicContact CE2-CB 3.79Å; Y579-P581 HydrophobicContact CE2-CG 4Å; Y579-P581 VanDerWaalsContact OH-CB 3.25Å; Y579-P581 WeakPolarHBondContact OH-CB 3.43Å; P581-G583 WeakPolarHBondContact CB-O 3.19Å; P581-G583 PolarHBondContact O-N 3.22Å; P581-M755 HydrophobicContact CG-CB 4.25Å; P581-M755 HydrophobicContact CG-CE 3.34Å; P581-M755 HydrophobicContact CG-CG 4.19Å
582	Y	92.8	Very high	88.9	Confident	15 Å²	15	61 Å²	61	6%	0.059	28%	0.284	C	S	.	.	S	Bend	trans	-77.3	-2.6	171.6	-73.6	-92.4	0	0	0	114.1	K550 Y679 V680 T681 E682 E752	K550-Y582 HydrophobicContact CB-CE2 3.88Å; K550-Y582 WeakPolarHBondContact CB-OH 3.23Å; K550-Y582 WeakPolarHBondContact O-CE2 3.45Å; K550-Y582 PolarHBondContact O-OH 2.8Å; Y582-Y679 HydrophobicContact CE2-CE2 4.46Å; Y582-V680 WeakPolarHBondContact CD2-O 3.09Å; Y582-T681 HydrophobicContact CD2-CG2 4.25Å; Y582-T681 HydrophobicContact CE2-CG2 4.13Å; Y582-E682 HydrophobicContact CD1-CB 4.25Å; Y582-E752 HydrophobicContact CD1-CG 4.24Å; Y582-E752 WeakPolarHBondContact CD1-OE1 3.41Å; Y582-E752 WeakPolarHBondContact CE1-OE1 3.21Å; Y582-E752 WeakPolarHBondContact O-CA 3.31Å; Y582-E752 VanDerWaalsContact O-CB 3.26Å; Y582-E752 WeakPolarHBondContact O-CB 3.28Å
583	G	91.8	Very high	87.8	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.311	C	S	.	.			trans	165.9	169.6	-178.3	0	0	0	0	0	110.4	P581 F685 I750	P581-G583 WeakPolarHBondContact CB-O 3.19Å; P581-G583 PolarHBondContact O-N 3.22Å; G583-F685 VanDerWaalsContact C-CZ 3.44Å; G583-F685 WeakPolarHBondContact O-CE2 3.31Å; G583-F685 WeakPolarHBondContact O-CZ 3.01Å; G583-I750 CarbonylContact C-O 3.49Å; G583-I750 VanDerWaalsContact CA-O 3.26Å; G583-I750 WeakPolarHBondContact CA-O 3.3Å
584	W	92.4	Very high	86.5	Confident	73 Å²	73	72.6 Å²	72.6	28%	0.277	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	150	178.4	-168.9	-99.6	0	0	0	111.1	Y579 F705 V749 I750 M755	Y579-W584 HydrophobicContact CE1-CE3 4.05Å; Y579-W584 AromaticContact CE1-CZ3 3.88Å; Y579-W584 HydrophobicContact CE1-CZ3 3.88Å; Y579-W584 WeakPolarHBondContact OH-CZ3 3.42Å; W584-F705 HydrophobicContact CE3-CD1 4.06Å; W584-F705 HydrophobicContact CH2-CD1 4.44Å; W584-F705 AromaticContact CZ3-CD1 3.54Å; W584-F705 HydrophobicContact CZ3-CD1 3.54Å; W584-F705 AromaticContact CZ3-CE1 3.94Å; W584-F705 HydrophobicContact CZ3-CE1 3.94Å; W584-V749 WeakPolarHBondContact O-CA 3.36Å; W584-I750 PolarHBondContact N-O 2.8Å; W584-I750 PolarHBondContact O-N 3.33Å; W584-M755 HydrophobicContact CB-CE 3.93Å; W584-M755 HydrophobicContact CB-CG 4.2Å; W584-M755 HydrophobicContact CB-SD 3.57Å; W584-M755 VanDerWaalsContact CB-SD 3.57Å
585	V	92.7	Very high	85.4	Confident	12 Å²	12	71.3 Å²	71.3	7%	0.073	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	116.2	171	-175.5	0	0	0	0	108.7	F685 L688 L706 P707 W743 H747 E748 V749	V585-F685 HydrophobicContact CG2-CD1 4.37Å; V585-F685 HydrophobicContact CG2-CE1 4.4Å; V585-L688 HydrophobicContact CG2-CD1 3.94Å; V585-L706 HydrophobicContact CG2-CD2 3.78Å; V585-P707 HydrophobicContact CB-CG 4.46Å; V585-P707 HydrophobicContact CG1-CG 3.65Å; V585-W743 HydrophobicContact CG1-CE3 4.11Å; V585-W743 HydrophobicContact CG1-CZ3 4.16Å; V585-H747 HydrophobicContact CG1-CB 3.71Å; V585-E748 WeakPolarHBondContact CA-O 3.17Å; V585-V749 HydrophobicContact CG2-CG2 4.36Å
586	R	87.6	Confident	84.5	Confident	122 Å²	122	71.4 Å²	71.4	46%	0.46	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	148.1	-178	-170.7	-176.4	62.1	-163.6	-5.5	110.5	H747 E748 I750	R586-H747 CarbonylContact O-C 3.25Å; R586-H747 WeakPolarHBondContact O-CA 3.46Å; R586-H747 WeakPolarHBondContact O-CB 3.48Å; R586-E748 IonicContact CZ-OE1 2.67Å; R586-E748 PolarHBondContact N-O 3.37Å; R586-E748 IonicContact NE-OE1 3.57Å; R586-E748 IonicContact NH2-OE1 3.95Å; R586-E748 PolarHBondContact NH2-OE1 3.04Å; R586-E748 PolarHBondContact O-N 3.21Å; R586-I750 HydrophobicContact CB-CD1 3.97Å; R586-I750 HydrophobicContact CB-CG1 4.5Å
587	K	89	Confident	83.5	Confident	152 Å²	152	72 Å²	72	66%	0.661	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	130.1	170.3	-165.4	179.9	-179.6	-176.2	0	110.5	S746	K587-S746 CarbonylContact C-O 3.5Å; K587-S746 VanDerWaalsContact CA-O 3.24Å; K587-S746 WeakPolarHBondContact CA-O 3.46Å; K587-S746 WeakPolarHBondContact CG-O 3.34Å
588	M	84.1	Confident	82.8	Confident	50 Å²	50	73.4 Å²	73.4	25%	0.246	36%	0.357	C	S	.	.			trans	-77.1	149.4	174.4	-64.7	172.3	66.2	0	0	110.8	I592 S746 E748	M588-I592 HydrophobicContact CE-CD1 4.31Å; M588-I592 HydrophobicContact CE-CG1 4.15Å; M588-I592 HydrophobicContact SD-CD1 4.37Å; M588-S746 PolarHBondContact N-O 3.01Å; M588-E748 HydrophobicContact CG-CB 3.79Å; M588-E748 HydrophobicContact CG-CG 3.79Å; M588-E748 HydrophobicContact SD-CB 4.05Å
589	E	79	Confident	82.1	Confident	201 Å²	201	76.9 Å²	76.9	94%	0.939	38%	0.381	S	S	*	.	S	Bend	trans	-73	-35.6	175.5	-68.9	-177.2	172.4	0	0	112.7
590	K	77.6	Confident	81.6	Confident	178 Å²	178	80.1 Å²	80.1	77%	0.774	40%	0.396	S	S	*	.	S	Bend	trans	-115.7	126.3	177.4	-64.8	-176.5	-177.8	178.7	0	110
591	S	69.9	Low	81.1	Confident	101 Å²	101	80.5 Å²	80.5	71%	0.706	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-74.3	143.7	175.9	57.1	0	0	0	0	111.8
592	I	70	Confident	80.8	Confident	82 Å²	82	84.2 Å²	84.2	42%	0.421	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-73.9	147.5	174.8	-60.3	172	0	0	0	110.3	M588 K594 W597	M588-I592 HydrophobicContact CE-CD1 4.31Å; M588-I592 HydrophobicContact CE-CG1 4.15Å; M588-I592 HydrophobicContact SD-CD1 4.37Å; I592-K594 PolarHBondContact O-N 2.79Å; I592-W597 HydrophobicContact CG2-CB 4.14Å
593	N	70.9	Confident	80.5	Confident	107 Å²	107	88.5 Å²	88.5	57%	0.572	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-57.6	122.5	174.6	-175	-11.9	0	0	0	111.7	S595 W597	N593-S595 PolarHBondContact O-N 2.83Å; N593-S595 PolarHBondContact OD1-N 3.14Å; N593-S595 PolarHBondContact OD1-OG 2.63Å; N593-W597 PolarHBondContact O-N 3.09Å
594	K	64.7	Low	80.1	Confident	141 Å²	141	89.8 Å²	89.8	61%	0.613	44%	0.442	S	S	*	.	H	α-helix	trans	-64	-32	-173.4	-82.2	-177.4	-176.4	171.2	0	114.6	I592 W597	I592-K594 PolarHBondContact O-N 2.79Å; K594-W597 VanDerWaalsContact C-CE3 3.48Å; K594-W597 VanDerWaalsContact CA-CE3 3.44Å; K594-W597 HydrophobicContact CB-CE3 4.24Å; K594-W597 HydrophobicContact CB-CZ3 3.92Å; K594-W597 HydrophobicContact CG-CE3 4.46Å; K594-W597 HydrophobicContact CG-CZ3 4.03Å; K594-W597 WeakPolarHBondContact O-CZ3 3.3Å
595	S	68.5	Low	79.9	Confident	84 Å²	84	86.4 Å²	86.4	59%	0.587	43%	0.43	S	S	*	.	H	α-helix	trans	-77.3	-46.4	-175.4	51.9	0	0	0	0	111.7	N593 S599	N593-S595 PolarHBondContact O-N 2.83Å; N593-S595 PolarHBondContact OD1-N 3.14Å; N593-S595 PolarHBondContact OD1-OG 2.63Å; S595-S599 PolarHBondContact O-N 2.75Å; S595-S599 PolarHBondContact O-OG 3.21Å
596	S	73.5	Confident	79.6	Confident	76 Å²	76	91.5 Å²	91.5	53%	0.531	46%	0.456	S	S	.	.	H	α-helix	trans	-66.1	-40.2	-176.9	175.8	0	0	0	0	113.5	S599 F600	S596-S599 PolarHBondContact O-OG 2.72Å; S596-F600 PolarHBondContact O-N 2.96Å
597	W	73.8	Confident	79.5	Confident	24 Å²	24	91.8 Å²	91.8	9%	0.091	46%	0.461	C	S	.	.	H	α-helix	trans	-68.9	-38.4	179.8	125.8	90.3	0	0	0	112.3	I592 N593 K594 F600 L601 K745	I592-W597 HydrophobicContact CG2-CB 4.14Å; N593-W597 PolarHBondContact O-N 3.09Å; K594-W597 VanDerWaalsContact C-CE3 3.48Å; K594-W597 VanDerWaalsContact CA-CE3 3.44Å; K594-W597 HydrophobicContact CB-CE3 4.24Å; K594-W597 HydrophobicContact CB-CZ3 3.92Å; K594-W597 HydrophobicContact CG-CE3 4.46Å; K594-W597 HydrophobicContact CG-CZ3 4.03Å; K594-W597 WeakPolarHBondContact O-CZ3 3.3Å; W597-F600 PolarHBondContact O-N 3.28Å; W597-L601 VanDerWaalsContact CD1-CD1 3.45Å; W597-L601 PolarHBondContact O-N 3.3Å; W597-K745 HydrophobicContact CD2-CG 4.34Å; W597-K745 HydrophobicContact CE3-CG 4.27Å; W597-K745 HydrophobicContact CH2-CD 4.05Å; W597-K745 HydrophobicContact CH2-CG 4.05Å; W597-K745 HydrophobicContact CZ2-CD 4.28Å; W597-K745 HydrophobicContact CZ2-CG 3.97Å; W597-K745 HydrophobicContact CZ3-CD 4.32Å; W597-K745 HydrophobicContact CZ3-CG 4.12Å
598	R	80.5	Confident	79.7	Confident	79 Å²	79	85.1 Å²	85.1	30%	0.298	43%	0.432	S	S	.	.	H	α-helix	trans	-68.8	-41	-176.6	-166	179.9	-175.3	87.1	-5.4	111.4	L601 K602 E735	R598-L601 PolarHBondContact O-N 3.13Å; R598-K602 WeakPolarHBondContact O-CB 3.33Å; R598-K602 PolarHBondContact O-N 3.25Å; R598-E735 IonicContact CZ-OE2 3.98Å; R598-E735 IonicContact NE-OE2 3.59Å; R598-E735 IonicContact NH2-OE2 3.73Å; R598-E735 PolarHBondContact NH2-OE2 2.59Å
599	S	82.2	Confident	79.9	Confident	72 Å²	72	94.3 Å²	94.3	50%	0.503	46%	0.464	S	S	.	.	H	α-helix	trans	-63.6	-45	175.9	55.4	0	0	0	0	111.4	S595 S596 L601 K602 E603	S595-S599 PolarHBondContact O-N 2.75Å; S595-S599 PolarHBondContact O-OG 3.21Å; S596-S599 PolarHBondContact O-OG 2.72Å; S599-L601 PolarHBondContact O-N 3.16Å; S599-K602 PolarHBondContact O-N 3.3Å; S599-E603 WeakPolarHBondContact O-CB 3.37Å; S599-E603 PolarHBondContact O-N 3.4Å
600	F	84	Confident	80.7	Confident	110 Å²	110	89.3 Å²	89.3	48%	0.482	44%	0.436	S	S	.	.	H	α-helix	trans	-57.4	-46.7	175.7	169	-100.3	0	0	0	113	S596 W597 E603 T604	S596-F600 PolarHBondContact O-N 2.96Å; W597-F600 PolarHBondContact O-N 3.28Å; F600-E603 PolarHBondContact O-N 2.76Å; F600-T604 WeakPolarHBondContact O-CB 3.15Å; F600-T604 PolarHBondContact O-N 3.34Å; F600-T604 PolarHBondContact O-OG1 3.33Å
601	L	85.5	Confident	81.5	Confident	8 Å²	8	82.1 Å²	82.1	4%	0.042	41%	0.406	C	S	.	.	H	α-helix	trans	-67.5	-39	178.3	-74.2	-179.5	0	0	0	112.3	W597 R598 S599 T604 A605 N691 L738 F741 M744	W597-L601 VanDerWaalsContact CD1-CD1 3.45Å; W597-L601 PolarHBondContact O-N 3.3Å; R598-L601 PolarHBondContact O-N 3.13Å; S599-L601 PolarHBondContact O-N 3.16Å; L601-T604 PolarHBondContact O-N 3.37Å; L601-A605 WeakPolarHBondContact O-CB 3.23Å; L601-A605 PolarHBondContact O-N 3.18Å; L601-N691 HydrophobicContact CD2-CB 4.33Å; L601-L738 HydrophobicContact CB-CD2 3.89Å; L601-F741 HydrophobicContact CD1-CB 3.43Å; L601-F741 VanDerWaalsContact CD1-CB 3.43Å; L601-F741 HydrophobicContact CD1-CG 3.98Å; L601-M744 HydrophobicContact CD1-SD 4.32Å; L601-M744 HydrophobicContact CD2-SD 4.44Å
602	K	86.4	Confident	82.9	Confident	82 Å²	82	77.4 Å²	77.4	36%	0.357	37%	0.373	S	S	.	.	H	α-helix	trans	-63.1	-45	176.4	-170.1	165	-175.6	161.2	0	110.9	R598 S599 A605 L606 E735 L738	R598-K602 WeakPolarHBondContact O-CB 3.33Å; R598-K602 PolarHBondContact O-N 3.25Å; S599-K602 PolarHBondContact O-N 3.3Å; K602-A605 PolarHBondContact O-N 3.18Å; K602-L606 HydrophobicContact CG-CD1 4.24Å; K602-L606 WeakPolarHBondContact O-CB 3.41Å; K602-L606 VanDerWaalsContact O-CG 3.24Å; K602-L606 WeakPolarHBondContact O-CG 3.41Å; K602-L606 PolarHBondContact O-N 3.31Å; K602-E735 IonicContact NZ-OE1 3.5Å; K602-E735 PolarHBondContact NZ-OE1 2.72Å; K602-L738 HydrophobicContact CB-CD1 3.92Å; K602-L738 HydrophobicContact CD-CD1 4.19Å; K602-L738 HydrophobicContact CG-CD1 4.04Å
603	E	86.2	Confident	84.1	Confident	105 Å²	105	73.5 Å²	73.5	49%	0.491	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-44.4	175.3	-167.9	-168.9	157.3	0	0	111.7	S599 F600 L606 K607	S599-E603 WeakPolarHBondContact O-CB 3.37Å; S599-E603 PolarHBondContact O-N 3.4Å; F600-E603 PolarHBondContact O-N 2.76Å; E603-L606 PolarHBondContact O-N 2.69Å; E603-K607 WeakPolarHBondContact O-CG 3.44Å; E603-K607 PolarHBondContact O-N 3.2Å; E603-K607 WeakPolarHBondContact OE1-CE 3.47Å; E603-K607 IonicContact OE1-NZ 2.82Å; E603-K607 PolarHBondContact OE1-NZ 3.28Å
604	T	84.3	Confident	85.3	Confident	26 Å²	26	68.4 Å²	68.4	16%	0.16	33%	0.326	C	S	.	.	H	α-helix	trans	-63.9	-42.3	176.8	-55.1	0	0	0	0	111.3	F600 L601 K607 K608	F600-T604 WeakPolarHBondContact O-CB 3.15Å; F600-T604 PolarHBondContact O-N 3.34Å; F600-T604 PolarHBondContact O-OG1 3.33Å; L601-T604 PolarHBondContact O-N 3.37Å; T604-K607 PolarHBondContact O-N 2.93Å; T604-K608 WeakPolarHBondContact O-CG 3.5Å; T604-K608 PolarHBondContact O-N 3.31Å
605	A	86.8	Confident	86.7	Confident	3 Å²	3	63.4 Å²	63.4	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-67.5	-34.7	-179.6	0	0	0	0	0	113.2	L601 K602 K607 K608 M734 Y737 L738	L601-A605 WeakPolarHBondContact O-CB 3.23Å; L601-A605 PolarHBondContact O-N 3.18Å; K602-A605 PolarHBondContact O-N 3.18Å; A605-K607 VanDerWaalsContact C-N 3.3Å; A605-K608 PolarHBondContact O-N 2.7Å; A605-M734 HydrophobicContact CB-SD 3.67Å; A605-Y737 HydrophobicContact CB-CD1 4.16Å; A605-Y737 HydrophobicContact CB-CE1 3.67Å; A605-L738 HydrophobicContact CB-CD2 4.4Å
606	L	86.5	Confident	87.5	Confident	118 Å²	118	59.6 Å²	59.6	62%	0.618	28%	0.277	S	S	*	.	H	α-helix	trans	-68.7	-27.9	175.6	-74.1	167.5	0	0	0	112.7	K602 E603 M734	K602-L606 HydrophobicContact CG-CD1 4.24Å; K602-L606 WeakPolarHBondContact O-CB 3.41Å; K602-L606 VanDerWaalsContact O-CG 3.24Å; K602-L606 WeakPolarHBondContact O-CG 3.41Å; K602-L606 PolarHBondContact O-N 3.31Å; E603-L606 PolarHBondContact O-N 2.69Å; L606-M734 HydrophobicContact CD2-CE 4.04Å
607	K	87.1	Confident	87.9	Confident	129 Å²	129	59.5 Å²	59.5	56%	0.561	28%	0.276	S	S	*	.	H	α-helix	trans	-79	-17.9	177.2	-68.3	174.1	-173.1	172.7	0	113.4	E603 T604 A605 R609	E603-K607 WeakPolarHBondContact O-CG 3.44Å; E603-K607 PolarHBondContact O-N 3.2Å; E603-K607 WeakPolarHBondContact OE1-CE 3.47Å; E603-K607 IonicContact OE1-NZ 2.82Å; E603-K607 PolarHBondContact OE1-NZ 3.28Å; T604-K607 PolarHBondContact O-N 2.93Å; A605-K607 VanDerWaalsContact C-N 3.3Å; K607-R609 PolarHBondContact O-N 3.01Å
608	K	92.4	Very high	88.4	Confident	12 Å²	12	61.8 Å²	61.8	5%	0.052	29%	0.291	C	S	.	.			trans	-74.6	107	-179.5	-72.2	173	170.9	-152.9	0	111.3	T604 A605 R662 Q663 E664 Y665 K666 N691	T604-K608 WeakPolarHBondContact O-CG 3.5Å; T604-K608 PolarHBondContact O-N 3.31Å; A605-K608 PolarHBondContact O-N 2.7Å; K608-R662 WeakPolarHBondContact CE-O 3.28Å; K608-R662 PolarHBondContact NZ-O 3.16Å; K608-Q663 VanDerWaalsContact CG-O 3.26Å; K608-Q663 WeakPolarHBondContact CG-O 3.19Å; K608-E664 CarbonylContact C-O 3.48Å; K608-E664 WeakPolarHBondContact CA-O 3.23Å; K608-Y665 VanDerWaalsContact CD-O 3.23Å; K608-Y665 WeakPolarHBondContact CD-O 3.05Å; K608-Y665 VanDerWaalsContact CE-O 3.23Å; K608-Y665 WeakPolarHBondContact CE-O 3.49Å; K608-Y665 PolarHBondContact NZ-O 3.34Å; K608-K666 HydrophobicContact CB-CG 3.89Å; K608-K666 HydrophobicContact CD-CG 4.03Å; K608-N691 PolarHBondContact NZ-O 3.4Å
609	R	88.9	Confident	88.5	Confident	242 Å²	242	60.1 Å²	60.1	91%	0.913	29%	0.29	S	S	*	.			trans	-91.8	-15.1	-177.4	-62	-174.8	-179.5	-167	-0.7	114.4	K607 E664	K607-R609 PolarHBondContact O-N 3.01Å; R609-E664 PolarHBondContact N-O 3.46Å
610	R	94.5	Very high	88.5	Confident	97 Å²	97	64.4 Å²	64.4	37%	0.366	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	150.2	-177.8	-56.9	-173.6	-173.7	-166.7	1.7	110.5	D639 Y641 E664 Y665 K666	R610-D639 IonicContact NH1-OD2 2.88Å; R610-Y641 PolarHBondContact NH1-OH 3.33Å; R610-Y641 VanDerWaalsContact NH1-OH 3.09Å; R610-E664 CarbonylContact C-O 3.52Å; R610-E664 WeakPolarHBondContact CA-O 3.27Å; R610-E664 WeakPolarHBondContact CB-O 2.92Å; R610-E664 WeakPolarHBondContact CD-OE2 3.3Å; R610-E664 HydrophobicContact CG-CB 4.41Å; R610-E664 IonicContact CZ-OE2 2.66Å; R610-E664 VanDerWaalsContact CZ-OE2 3.24Å; R610-E664 PolarHBondContact N-O 2.92Å; R610-E664 IonicContact NE-OE2 3.99Å; R610-E664 PolarHBondContact NE-OE2 3.48Å; R610-E664 IonicContact NH2-OE2 3.89Å; R610-Y665 HydrophobicContact CB-CD1 3.58Å; R610-Y665 HydrophobicContact CB-CE1 3.4Å; R610-Y665 HydrophobicContact CB-CE2 4.36Å; R610-Y665 HydrophobicContact CB-CG 4.16Å; R610-Y665 WeakPolarHBondContact CD-OH 3.25Å; R610-Y665 HydrophobicContact CG-CE1 4.26Å; R610-Y665 PolarHBondContact NH1-OH 3.22Å; R610-Y665 WeakPolarHBondContact O-CA 3.19Å; R610-K666 PolarHBondContact O-N 3.25Å
611	L	95.2	Very high	88.5	Confident	27 Å²	27	59.4 Å²	59.4	14%	0.141	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-61.8	-167	-166.5	57	0	0	0	112.5	V636 K666 F667 R728 D731	L611-V636 HydrophobicContact CD2-CG2 3.43Å; L611-V636 VanDerWaalsContact CD2-CG2 3.43Å; L611-V636 HydrophobicContact CG-CG2 4.3Å; L611-K666 HydrophobicContact CD1-CB 4.48Å; L611-K666 HydrophobicContact CD1-CD 4.49Å; L611-K666 PolarHBondContact O-N 2.99Å; L611-F667 HydrophobicContact CD1-CD2 3.69Å; L611-F667 HydrophobicContact CD1-CE2 3.62Å; L611-F667 HydrophobicContact CG-CD2 4.18Å; L611-F667 HydrophobicContact CG-CE2 4.48Å; L611-F667 WeakPolarHBondContact O-CD2 3.45Å; L611-F667 PolarHBondContact O-N 2.56Å; L611-R728 HydrophobicContact CD2-CG 4.4Å; L611-D731 HydrophobicContact CD1-CB 3.71Å
612	V	98.2	Very high	88.2	Confident	1 Å²	1	61 Å²	61	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.2	-172.5	-167.2	0	0	0	0	111.1	V636 V638 D639 F667 L669 L727	V612-V636 HydrophobicContact CG2-CG1 4.39Å; V612-V636 HydrophobicContact CG2-CG2 4.23Å; V612-V638 HydrophobicContact CB-CB 4.43Å; V612-V638 HydrophobicContact CB-CG1 4.31Å; V612-V638 HydrophobicContact CB-CG2 4.11Å; V612-V638 HydrophobicContact CG1-CB 4.49Å; V612-V638 HydrophobicContact CG1-CG1 3.95Å; V612-V638 HydrophobicContact CG1-CG2 4.12Å; V612-V638 WeakPolarHBondContact O-CA 3.37Å; V612-D639 PolarHBondContact O-N 2.77Å; V612-F667 WeakPolarHBondContact CA-O 3.2Å; V612-F667 HydrophobicContact CG1-CB 4.46Å; V612-F667 HydrophobicContact CG2-CB 4.32Å; V612-L669 HydrophobicContact CG1-CD1 4.15Å; V612-L669 HydrophobicContact CG1-CD2 3.54Å; V612-L669 HydrophobicContact CG1-CG 3.64Å; V612-L727 HydrophobicContact CG2-CD1 3.79Å
613	A	97	Very high	88.1	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.2	170.7	0	0	0	0	0	111.9	F615 D639 L661 Y665 F667 F668 L669	A613-F615 HydrophobicContact CB-CE1 4.3Å; A613-D639 CarbonylContact C-O 3.5Å; A613-D639 WeakPolarHBondContact CA-O 3.49Å; A613-L661 HydrophobicContact CB-CD1 3.81Å; A613-Y665 HydrophobicContact CB-CD1 3.51Å; A613-Y665 HydrophobicContact CB-CD2 3.99Å; A613-Y665 HydrophobicContact CB-CE1 3.68Å; A613-Y665 HydrophobicContact CB-CE2 4.14Å; A613-Y665 HydrophobicContact CB-CG 3.66Å; A613-F667 PolarHBondContact N-O 3.16Å; A613-F668 HydrophobicContact CB-CD2 4.27Å; A613-F668 CarbonylContact O-C 3.56Å; A613-F668 WeakPolarHBondContact O-CA 3.26Å; A613-F668 WeakPolarHBondContact O-CD2 3.27Å; A613-L669 PolarHBondContact O-N 3.33Å
614	A	95.4	Very high	88	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.1	171.9	0	0	0	0	0	110.4	I629 V638 D639 V640 Y641 L669	A614-I629 HydrophobicContact CB-CD1 4.27Å; A614-V638 HydrophobicContact CB-CG1 4.22Å; A614-D639 PolarHBondContact N-O 3.01Å; A614-V640 HydrophobicContact CB-CG2 4.38Å; A614-V640 CarbonylContact O-C 3.57Å; A614-V640 WeakPolarHBondContact O-CA 3.2Å; A614-Y641 PolarHBondContact O-N 2.91Å; A614-L669 HydrophobicContact CB-CB 3.89Å; A614-L669 HydrophobicContact CB-CD1 3.98Å; A614-L669 HydrophobicContact CB-CG 4.13Å
615	F	93	Very high	88.2	Confident	36 Å²	36	51.3 Å²	51.3	16%	0.158	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	103.5	179	-71.7	18.6	0	0	0	109.5	A613 Y641 C657 L658 M660 L661 F668	A613-F615 HydrophobicContact CB-CE1 4.3Å; F615-Y641 CarbonylContact C-O 3.51Å; F615-Y641 VanDerWaalsContact CA-O 3.3Å; F615-Y641 WeakPolarHBondContact CA-O 3.11Å; F615-Y641 AromaticContact CD1-CD2 3.95Å; F615-Y641 HydrophobicContact CD1-CD2 3.95Å; F615-Y641 HydrophobicContact CD1-CG 4.07Å; F615-Y641 AromaticContact CE1-CD2 3.56Å; F615-Y641 HydrophobicContact CE1-CD2 3.56Å; F615-Y641 HydrophobicContact CE1-CE2 4.28Å; F615-Y641 AromaticContact CE1-CG 3.81Å; F615-Y641 HydrophobicContact CE1-CG 3.81Å; F615-C657 HydrophobicContact CE2-CB 3.79Å; F615-C657 HydrophobicContact CZ-CB 3.95Å; F615-L658 HydrophobicContact CE2-CD2 4.27Å; F615-M660 HydrophobicContact CE1-CE 4.26Å; F615-M660 HydrophobicContact CZ-CE 4.01Å; F615-L661 HydrophobicContact CZ-CB 4.4Å; F615-F668 HydrophobicContact CB-CE2 3.98Å; F615-F668 HydrophobicContact CB-CZ 4.05Å; F615-F668 AromaticContact CD1-CE2 3.77Å; F615-F668 HydrophobicContact CD1-CE2 3.77Å; F615-F668 HydrophobicContact CD2-CE2 4.36Å; F615-F668 HydrophobicContact CE1-CE2 4.34Å; F615-F668 AromaticContact CG-CE2 3.78Å; F615-F668 HydrophobicContact CG-CE2 3.78Å; F615-F668 HydrophobicContact CG-CZ 4.25Å
616	T	85.5	Confident	88.2	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.025	25%	0.25	C	S	.	.			trans	-129.8	115.1	-172.6	55.2	0	0	0	0	111.7	I629 V640 Y641 G642 Q643 C644	T616-I629 HydrophobicContact CG2-CD1 4.1Å; T616-V640 WeakPolarHBondContact OG1-CG1 3.42Å; T616-Y641 PolarHBondContact N-O 2.89Å; T616-G642 CarbonylContact O-C 3.47Å; T616-G642 WeakPolarHBondContact O-CA 3.35Å; T616-Q643 PolarHBondContact O-N 3.45Å; T616-C644 PolarHBondContact O-N 3.31Å; T616-C644 PolarHBondContact O-SG 3.24Å; T616-C644 VanDerWaalsContact O-SG 3.37Å
617	S	83.6	Confident	88.1	Confident	74 Å²	74	49 Å²	49	52%	0.517	24%	0.237	S	C	.	.			trans	-112.6	-30.9	176.9	54.5	0	0	0	0	113.7	Q643	S617-Q643 PolarHBondContact O-OE1 2.82Å
618	N	83.2	Confident	88.1	Confident	73 Å²	73	42.9 Å²	42.9	39%	0.39	21%	0.21	S	C	.	.	S	Bend	trans	-89.7	106.4	174.1	-170.7	12.8	0	0	0	109.3	R625 N673	N618-R625 PolarHBondContact O-NH2 3.06Å; N618-N673 PolarHBondContact ND2-ND2 3.18Å
619	C	83.2	Confident	88.2	Confident	43 Å²	43	42.6 Å²	42.6	29%	0.291	21%	0.209	S	C	.	.			trans	-90.9	149.7	-170.7	-43.9	0	0	0	0	112.7	E626 C644	C619-E626 WeakPolarHBondContact CA-OE1 3.42Å; C619-E626 WeakPolarHBondContact CB-OE1 3.35Å; C619-C644 WeakPolarHBondContact CA-SG 2.92Å; C619-C644 HydrophobicContact CB-CB 3.92Å; C619-C644 WeakPolarHBondContact CB-SG 3.47Å; C619-C644 PolarHBondContact N-SG 3.34Å; C619-C644 VanDerWaalsContact N-SG 3.4Å; C619-C644 WeakPolarHBondContact SG-CA 3.34Å; C619-C644 WeakPolarHBondContact SG-CB 3.47Å; C619-C644 CovalentContact SG-SG 2.04Å; C619-C644 PolarHBondContact SG-SG 2.77Å
620	H	81.6	Confident	88.2	Confident	162 Å²	162	37.4 Å²	37.4	75%	0.75	19%	0.193	S	C	*	.	S	Bend	trans	51.9	45.7	-173.9	-46.6	100.5	0	0	0	114.9	E626	H620-E626 IonicContact CD2-OE2 3.57Å; H620-E626 IonicContact CG-OE2 3.57Å; H620-E626 PolarHBondContact N-OE1 2.79Å; H620-E626 PolarHBondContact N-OE2 3.49Å; H620-E626 IonicContact NE2-OE2 3.72Å
621	P	83.4	Confident	87.8	Confident	6 Å²	6	33.4 Å²	33.4	4%	0.039	18%	0.181	C	C	.	.			trans	-70.9	162.9	-179	35.8	-38.8	0	0	0	111	S623 A624 R625 N673	P621-S623 PolarHBondContact O-N 3.14Å; P621-A624 PolarHBondContact O-N 3.35Å; P621-R625 HydrophobicContact CG-CG 3.83Å; P621-N673 HydrophobicContact CB-CB 4.03Å; P621-N673 WeakPolarHBondContact CB-O 3.43Å
622	P	80.3	Confident	87.7	Confident	40 Å²	40	32.1 Å²	32.1	26%	0.26	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-31.8	179.4	-31.5	37.2	0	0	0	115.1	A624 N674 R796 D797	P622-A624 PolarHBondContact O-N 3.33Å; P622-N674 WeakPolarHBondContact CD-OD1 3.43Å; P622-N674 WeakPolarHBondContact CG-OD1 3.4Å; P622-R796 HydrophobicContact CB-CG 3.94Å; P622-R796 CarbonylContact O-C 3.48Å; P622-R796 VanDerWaalsContact O-CA 3.26Å; P622-R796 WeakPolarHBondContact O-CA 3.43Å; P622-D797 PolarHBondContact O-N 2.02Å
623	S	84.4	Confident	87.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-15.5	175.9	66.8	0	0	0	0	114.7	P621 R625 E672 N673 Y798 G799	P621-S623 PolarHBondContact O-N 3.14Å; S623-R625 PolarHBondContact O-N 2.65Å; S623-R625 PolarHBondContact OG-N 3.29Å; S623-E672 WeakPolarHBondContact CB-O 3.32Å; S623-E672 PolarHBondContact OG-O 2.64Å; S623-N673 WeakPolarHBondContact CB-O 3.26Å; S623-N673 PolarHBondContact N-O 3.08Å; S623-N673 PolarHBondContact OG-O 3.29Å; S623-N673 VanDerWaalsContact OG-O 3.06Å; S623-Y798 PolarHBondContact O-N 3.48Å; S623-Y798 VanDerWaalsContact O-N 3.13Å; S623-G799 PolarHBondContact O-N 3.4Å
624	A	83.6	Confident	87	Confident	9 Å²	9	43.1 Å²	43.1	7%	0.074	23%	0.225	C	C	.	.			trans	51.5	32.7	-170.7	0	0	0	0	0	113.6	P621 P622 E626 V627 D797 K800	P621-A624 PolarHBondContact O-N 3.35Å; P622-A624 PolarHBondContact O-N 3.33Å; A624-E626 PolarHBondContact O-N 3.48Å; A624-V627 HydrophobicContact CB-CG2 4Å; A624-V627 WeakPolarHBondContact O-CG2 3.01Å; A624-V627 PolarHBondContact O-N 3.38Å; A624-D797 HydrophobicContact CB-CB 4.45Å; A624-K800 HydrophobicContact CB-CD 4.35Å; A624-K800 HydrophobicContact CB-CG 3.88Å
625	R	89.6	Confident	86.9	Confident	1 Å²	1	45.9 Å²	45.9	0%	0.004	24%	0.238	C	C	.	.	H	α-helix	trans	-51.8	-34	-176.8	68.6	179.8	178	-157.8	-13.6	113.9	N618 P621 S623 V627 Y628 I629 F671 N673 L697	N618-R625 PolarHBondContact O-NH2 3.06Å; P621-R625 HydrophobicContact CG-CG 3.83Å; S623-R625 PolarHBondContact O-N 2.65Å; S623-R625 PolarHBondContact OG-N 3.29Å; R625-V627 VanDerWaalsContact C-N 3.27Å; R625-V627 PolarHBondContact O-N 3.45Å; R625-Y628 PolarHBondContact O-N 3.47Å; R625-I629 VanDerWaalsContact O-CG1 3.3Å; R625-I629 WeakPolarHBondContact O-CG1 3.49Å; R625-I629 PolarHBondContact O-N 2.84Å; R625-F671 HydrophobicContact CB-CB 3.92Å; R625-F671 HydrophobicContact CB-CD2 3.98Å; R625-F671 HydrophobicContact CB-CG 4.39Å; R625-F671 HydrophobicContact CG-CB 4.46Å; R625-F671 PolarHBondContact NH1-O 2.78Å; R625-N673 PolarHBondContact NH1-OD1 3.3Å; R625-N673 PolarHBondContact NH2-OD1 3.15Å; R625-L697 HydrophobicContact CB-CD1 4.34Å
626	E	86.2	Confident	86.9	Confident	20 Å²	20	44.4 Å²	44.4	9%	0.093	23%	0.232	C	C	.	.	H	α-helix	trans	-65.9	-30.7	-177.9	-68.4	171.9	175.1	0	0	112.9	C619 H620 A624 I629 K630 C644	C619-E626 WeakPolarHBondContact CA-OE1 3.42Å; C619-E626 WeakPolarHBondContact CB-OE1 3.35Å; H620-E626 IonicContact CD2-OE2 3.57Å; H620-E626 IonicContact CG-OE2 3.57Å; H620-E626 PolarHBondContact N-OE1 2.79Å; H620-E626 PolarHBondContact N-OE2 3.49Å; H620-E626 IonicContact NE2-OE2 3.72Å; A624-E626 PolarHBondContact O-N 3.48Å; E626-I629 PolarHBondContact O-N 3.38Å; E626-K630 WeakPolarHBondContact O-CB 3.09Å; E626-K630 WeakPolarHBondContact O-CG 3.39Å; E626-K630 PolarHBondContact O-N 2.82Å; E626-C644 WeakPolarHBondContact OE1-CB 3.25Å; E626-C644 PolarHBondContact OE1-SG 3.24Å
627	V	84	Confident	87.3	Confident	54 Å²	54	49.7 Å²	49.7	33%	0.327	26%	0.26	S	S	.	.	H	α-helix	trans	-68	-42.3	178	-159.4	0	0	0	0	109.3	A624 R625 K630 A631 K800 I803	A624-V627 HydrophobicContact CB-CG2 4Å; A624-V627 WeakPolarHBondContact O-CG2 3.01Å; A624-V627 PolarHBondContact O-N 3.38Å; R625-V627 VanDerWaalsContact C-N 3.27Å; R625-V627 PolarHBondContact O-N 3.45Å; V627-K630 PolarHBondContact O-N 3.09Å; V627-A631 PolarHBondContact O-N 2.56Å; V627-K800 HydrophobicContact CB-CG 4.14Å; V627-K800 HydrophobicContact CG1-CG 4.24Å; V627-K800 HydrophobicContact CG2-CG 4.03Å; V627-I803 HydrophobicContact CB-CD1 3.83Å; V627-I803 HydrophobicContact CG1-CD1 3.21Å; V627-I803 WeakPolarHBondContact O-CD1 3.37Å
628	Y	87.8	Confident	87.9	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.2	-40.2	174.7	-166.4	-89.8	0	0	0	112.1	R625 K630 A631 L632 F671 I714 A720 L723 F802	R625-Y628 PolarHBondContact O-N 3.47Å; Y628-K630 VanDerWaalsContact C-N 3.31Å; Y628-K630 PolarHBondContact O-N 2.91Å; Y628-A631 PolarHBondContact O-N 2.92Å; Y628-L632 WeakPolarHBondContact O-CB 3.42Å; Y628-L632 PolarHBondContact O-N 3.36Å; Y628-F671 AromaticContact CD1-CE2 3.89Å; Y628-F671 HydrophobicContact CD1-CE2 3.89Å; Y628-F671 AromaticContact CD1-CZ 3.96Å; Y628-F671 HydrophobicContact CD1-CZ 3.96Å; Y628-F671 HydrophobicContact CE1-CZ 4.32Å; Y628-I714 HydrophobicContact CD1-CD1 3.95Å; Y628-I714 HydrophobicContact CD1-CG2 4.23Å; Y628-I714 HydrophobicContact CD2-CD1 3.86Å; Y628-I714 HydrophobicContact CE1-CB 3.88Å; Y628-I714 HydrophobicContact CE1-CD1 3.96Å; Y628-I714 HydrophobicContact CE1-CG2 3.53Å; Y628-I714 HydrophobicContact CE2-CB 4.37Å; Y628-I714 HydrophobicContact CE2-CD1 3.87Å; Y628-I714 HydrophobicContact CG-CD1 3.89Å; Y628-A720 HydrophobicContact CE1-CB 4.38Å; Y628-A720 HydrophobicContact CE2-CB 4.03Å; Y628-A720 WeakPolarHBondContact OH-CA 3.44Å; Y628-L723 HydrophobicContact CE1-CD2 3.82Å; Y628-L723 WeakPolarHBondContact OH-CD2 3.33Å; Y628-F802 HydrophobicContact CD2-CB 3.75Å; Y628-F802 HydrophobicContact CD2-CG 4.49Å; Y628-F802 HydrophobicContact CE2-CB 3.38Å; Y628-F802 HydrophobicContact CE2-CG 4.09Å
629	I	93.9	Very high	88.6	Confident	5 Å²	5	44 Å²	44	3%	0.026	22%	0.224	C	C	.	.	H	α-helix	trans	-57.1	-46.1	174.5	-67.6	168.7	0	0	0	110.2	A614 T616 R625 E626 A631 L632 Q633 V638 V640 L669 F671	A614-I629 HydrophobicContact CB-CD1 4.27Å; T616-I629 HydrophobicContact CG2-CD1 4.1Å; R625-I629 VanDerWaalsContact O-CG1 3.3Å; R625-I629 WeakPolarHBondContact O-CG1 3.49Å; R625-I629 PolarHBondContact O-N 2.84Å; E626-I629 PolarHBondContact O-N 3.38Å; I629-A631 PolarHBondContact O-N 3.25Å; I629-L632 PolarHBondContact O-N 3.26Å; I629-Q633 HydrophobicContact CG2-CG 4.43Å; I629-Q633 WeakPolarHBondContact O-CG 3.3Å; I629-Q633 PolarHBondContact O-N 2.98Å; I629-V638 HydrophobicContact CG2-CG1 4.33Å; I629-V640 HydrophobicContact CG2-CG2 3.73Å; I629-L669 HydrophobicContact CG1-CD1 3.86Å; I629-F671 HydrophobicContact CD1-CD2 4Å; I629-F671 HydrophobicContact CD1-CE2 4.49Å; I629-F671 HydrophobicContact CG1-CD2 3.78Å; I629-F671 HydrophobicContact CG1-CE2 3.79Å
630	K	88.6	Confident	89.2	Confident	133 Å²	133	42.3 Å²	42.3	58%	0.578	21%	0.212	S	C	*	.	H	α-helix	trans	-61.8	-42.6	176.2	-75.4	178.1	179.6	-178.7	0	112.4	E626 V627 Y628 L632 Q633 Q634	E626-K630 WeakPolarHBondContact O-CB 3.09Å; E626-K630 WeakPolarHBondContact O-CG 3.39Å; E626-K630 PolarHBondContact O-N 2.82Å; V627-K630 PolarHBondContact O-N 3.09Å; Y628-K630 VanDerWaalsContact C-N 3.31Å; Y628-K630 PolarHBondContact O-N 2.91Å; K630-L632 VanDerWaalsContact C-N 3.31Å; K630-L632 PolarHBondContact O-N 3.22Å; K630-Q633 PolarHBondContact O-N 3.33Å; K630-Q634 PolarHBondContact O-N 2.76Å
631	A	85.3	Confident	89.7	Confident	14 Å²	14	35.4 Å²	35.4	12%	0.116	18%	0.18	C	C	.	.	H	α-helix	trans	-63.2	-38	175.2	0	0	0	0	0	112	V627 Y628 I629 Q634 H635 A720 I803	V627-A631 PolarHBondContact O-N 2.56Å; Y628-A631 PolarHBondContact O-N 2.92Å; I629-A631 PolarHBondContact O-N 3.25Å; A631-Q634 WeakPolarHBondContact O-CB 3.47Å; A631-Q634 PolarHBondContact O-N 3.21Å; A631-H635 PolarHBondContact O-CD2 2.76Å; A631-A720 HydrophobicContact CB-CB 3.97Å; A631-I803 HydrophobicContact CB-CD1 4.08Å; A631-I803 HydrophobicContact CB-CG1 3.98Å
632	L	93.4	Very high	90	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-69.4	-38.5	176.2	-173.1	61.7	0	0	0	112.1	Y628 I629 K630 Q634 H635 V636 V638 L669 A720 L723 A724	Y628-L632 WeakPolarHBondContact O-CB 3.42Å; Y628-L632 PolarHBondContact O-N 3.36Å; I629-L632 PolarHBondContact O-N 3.26Å; K630-L632 VanDerWaalsContact C-N 3.31Å; K630-L632 PolarHBondContact O-N 3.22Å; L632-Q634 PolarHBondContact O-N 3.34Å; L632-H635 PolarHBondContact O-N 2.81Å; L632-V636 HydrophobicContact CD1-CG1 3.69Å; L632-V636 HydrophobicContact CD2-CG1 4.41Å; L632-V636 HydrophobicContact CG-CG1 3.68Å; L632-V636 PolarHBondContact O-N 2.8Å; L632-V638 HydrophobicContact CB-CG2 4.5Å; L632-V638 HydrophobicContact CD2-CG2 4.06Å; L632-V638 HydrophobicContact CG-CG2 3.99Å; L632-L669 HydrophobicContact CD2-CD1 4.1Å; L632-L669 HydrophobicContact CD2-CD2 4.2Å; L632-A720 HydrophobicContact CB-CB 4.32Å; L632-A720 HydrophobicContact CD1-CB 4.4Å; L632-A720 VanDerWaalsContact CD1-O 3.3Å; L632-A720 WeakPolarHBondContact CD1-O 3.38Å; L632-L723 HydrophobicContact CD1-CB 4.41Å; L632-L723 HydrophobicContact CD1-CD2 4.05Å; L632-L723 HydrophobicContact CD1-CG 4.21Å; L632-L723 HydrophobicContact CD2-CD2 4.09Å; L632-A724 HydrophobicContact CD1-CB 3.91Å
633	Q	94.1	Very high	90.3	Very high	78 Å²	78	41.9 Å²	41.9	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-57.8	-26.3	175.9	-81.2	178.7	-44.9	0	0	113.4	I629 K630 H635 V636 V638	I629-Q633 HydrophobicContact CG2-CG 4.43Å; I629-Q633 WeakPolarHBondContact O-CG 3.3Å; I629-Q633 PolarHBondContact O-N 2.98Å; K630-Q633 PolarHBondContact O-N 3.33Å; Q633-H635 PolarHBondContact O-N 2.98Å; Q633-V636 WeakPolarHBondContact CA-O 3.18Å; Q633-V638 HydrophobicContact CG-CB 3.66Å; Q633-V638 HydrophobicContact CG-CG2 4.01Å; Q633-V638 PolarHBondContact NE2-O 3.42Å
634	Q	88	Confident	90.5	Very high	154 Å²	154	43.6 Å²	43.6	72%	0.72	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-18.1	174.2	-63.9	-179.7	-3.1	0	0	113.1	K630 A631 L632	K630-Q634 PolarHBondContact O-N 2.76Å; A631-Q634 WeakPolarHBondContact O-CB 3.47Å; A631-Q634 PolarHBondContact O-N 3.21Å; L632-Q634 PolarHBondContact O-N 3.34Å
635	H	92.4	Very high	90.6	Very high	57 Å²	57	44.2 Å²	44.2	26%	0.264	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-16.8	-172	-58.2	-48	0	0	0	113.7	A631 L632 Q633 K721 A724 R728	A631-H635 PolarHBondContact O-CD2 2.76Å; L632-H635 PolarHBondContact O-N 2.81Å; Q633-H635 PolarHBondContact O-N 2.98Å; H635-K721 WeakPolarHBondContact CD2-CA 3.17Å; H635-K721 PolarHBondContact CD2-N 3.37Å; H635-A724 HydrophobicContact CB-CB 3.41Å; H635-A724 VanDerWaalsContact CB-CB 3.41Å; H635-R728 PolarHBondContact O-NH1 2.62Å; H635-R728 PolarHBondContact O-NH2 2.71Å
636	V	93	Very high	90.6	Very high	6 Å²	6	49.6 Å²	49.6	4%	0.036	27%	0.265	C	S	.	.	S	Bend	trans	-152.7	148	174.6	63.5	0	0	0	0	109.6	L611 V612 L632 Q633 V638 A724	L611-V636 HydrophobicContact CD2-CG2 3.43Å; L611-V636 VanDerWaalsContact CD2-CG2 3.43Å; L611-V636 HydrophobicContact CG-CG2 4.3Å; V612-V636 HydrophobicContact CG2-CG1 4.39Å; V612-V636 HydrophobicContact CG2-CG2 4.23Å; L632-V636 HydrophobicContact CD1-CG1 3.69Å; L632-V636 HydrophobicContact CD2-CG1 4.41Å; L632-V636 HydrophobicContact CG-CG1 3.68Å; L632-V636 PolarHBondContact O-N 2.8Å; Q633-V636 WeakPolarHBondContact CA-O 3.18Å; V636-V638 HydrophobicContact CG1-CG2 4Å; V636-V638 PolarHBondContact O-N 2.76Å; V636-A724 HydrophobicContact CB-CB 3.92Å; V636-A724 HydrophobicContact CG1-CB 3.9Å
637	N	93	Very high	90.9	Very high	115 Å²	115	51.3 Å²	51.3	62%	0.615	28%	0.275	S	S	*	.			trans	-67.1	120.2	175.5	-171	18.3	0	0	0	110
638	V	97.4	Very high	91.1	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.018	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	113.9	175.1	-174.7	0	0	0	0	108.2	V612 A614 I629 L632 Q633 V636 V640 L669	V612-V638 HydrophobicContact CB-CB 4.43Å; V612-V638 HydrophobicContact CB-CG1 4.31Å; V612-V638 HydrophobicContact CB-CG2 4.11Å; V612-V638 HydrophobicContact CG1-CB 4.49Å; V612-V638 HydrophobicContact CG1-CG1 3.95Å; V612-V638 HydrophobicContact CG1-CG2 4.12Å; V612-V638 WeakPolarHBondContact O-CA 3.37Å; A614-V638 HydrophobicContact CB-CG1 4.22Å; I629-V638 HydrophobicContact CG2-CG1 4.33Å; L632-V638 HydrophobicContact CB-CG2 4.5Å; L632-V638 HydrophobicContact CD2-CG2 4.06Å; L632-V638 HydrophobicContact CG-CG2 3.99Å; Q633-V638 HydrophobicContact CG-CB 3.66Å; Q633-V638 HydrophobicContact CG-CG2 4.01Å; Q633-V638 PolarHBondContact NE2-O 3.42Å; V636-V638 HydrophobicContact CG1-CG2 4Å; V636-V638 PolarHBondContact O-N 2.76Å; V638-V640 HydrophobicContact CG1-CG2 4.16Å; V638-V640 PolarHBondContact O-N 3.47Å; V638-L669 HydrophobicContact CG1-CD1 3.79Å; V638-L669 HydrophobicContact CG1-CG 4.5Å
639	D	97.3	Very high	91	Very high	25 Å²	25	59 Å²	59	13%	0.134	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	112.2	176.3	-70.8	-32.5	0	0	0	109.6	R610 V612 A613 A614 Y641 L647 Y665	R610-D639 IonicContact NH1-OD2 2.88Å; V612-D639 PolarHBondContact O-N 2.77Å; A613-D639 CarbonylContact C-O 3.5Å; A613-D639 WeakPolarHBondContact CA-O 3.49Å; A614-D639 PolarHBondContact N-O 3.01Å; D639-Y641 HydrophobicContact CB-CD2 4.4Å; D639-Y641 HydrophobicContact CB-CE2 3.76Å; D639-L647 HydrophobicContact CB-CD1 3.68Å; D639-Y665 HydrophobicContact CB-CE1 3.88Å; D639-Y665 WeakPolarHBondContact CB-OH 3.19Å; D639-Y665 VanDerWaalsContact OD2-CE1 3.27Å; D639-Y665 WeakPolarHBondContact OD2-CE1 3.24Å; D639-Y665 VanDerWaalsContact OD2-CZ 3.29Å; D639-Y665 PolarHBondContact OD2-OH 2.78Å
640	V	95.4	Very high	90.5	Very high	7 Å²	7	61.2 Å²	61.2	4%	0.042	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.8	-176.1	-172	0	0	0	0	109.7	A614 T616 I629 V638 L647	A614-V640 HydrophobicContact CB-CG2 4.38Å; A614-V640 CarbonylContact O-C 3.57Å; A614-V640 WeakPolarHBondContact O-CA 3.2Å; T616-V640 WeakPolarHBondContact OG1-CG1 3.42Å; I629-V640 HydrophobicContact CG2-CG2 3.73Å; V638-V640 HydrophobicContact CG1-CG2 4.16Å; V638-V640 PolarHBondContact O-N 3.47Å; V640-L647 WeakPolarHBondContact O-CB 3.17Å; V640-L647 PolarHBondContact O-N 3.18Å
641	Y	93.3	Very high	90.2	Very high	17 Å²	17	62.6 Å²	62.6	7%	0.067	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	139.8	178	-67.8	-98.5	0	0	0	111.5	R610 A614 F615 T616 D639 L647 C649 M660 Y665	R610-Y641 PolarHBondContact NH1-OH 3.33Å; R610-Y641 VanDerWaalsContact NH1-OH 3.09Å; A614-Y641 PolarHBondContact O-N 2.91Å; F615-Y641 CarbonylContact C-O 3.51Å; F615-Y641 VanDerWaalsContact CA-O 3.3Å; F615-Y641 WeakPolarHBondContact CA-O 3.11Å; F615-Y641 AromaticContact CD1-CD2 3.95Å; F615-Y641 HydrophobicContact CD1-CD2 3.95Å; F615-Y641 HydrophobicContact CD1-CG 4.07Å; F615-Y641 AromaticContact CE1-CD2 3.56Å; F615-Y641 HydrophobicContact CE1-CD2 3.56Å; F615-Y641 HydrophobicContact CE1-CE2 4.28Å; F615-Y641 AromaticContact CE1-CG 3.81Å; F615-Y641 HydrophobicContact CE1-CG 3.81Å; T616-Y641 PolarHBondContact N-O 2.89Å; D639-Y641 HydrophobicContact CB-CD2 4.4Å; D639-Y641 HydrophobicContact CB-CE2 3.76Å; Y641-L647 CarbonylContact C-O 3.45Å; Y641-L647 VanDerWaalsContact CA-O 3.25Å; Y641-L647 WeakPolarHBondContact CA-O 3.24Å; Y641-L647 HydrophobicContact CD1-CB 3.57Å; Y641-L647 HydrophobicContact CD1-CD1 4.44Å; Y641-L647 HydrophobicContact CD2-CB 4.35Å; Y641-L647 HydrophobicContact CD2-CD1 4.15Å; Y641-L647 HydrophobicContact CE1-CB 3.72Å; Y641-L647 HydrophobicContact CE1-CD1 3.98Å; Y641-L647 HydrophobicContact CE1-CG 4.45Å; Y641-L647 HydrophobicContact CE2-CB 4.47Å; Y641-L647 HydrophobicContact CE2-CD1 3.65Å; Y641-L647 HydrophobicContact CG-CB 3.91Å; Y641-C649 HydrophobicContact CD1-CB 4.25Å; Y641-M660 HydrophobicContact CD1-CE 4.19Å; Y641-M660 HydrophobicContact CD2-CE 4.27Å; Y641-M660 HydrophobicContact CE1-CE 3.55Å; Y641-M660 HydrophobicContact CE1-SD 3.94Å; Y641-M660 HydrophobicContact CE2-CE 3.65Å; Y641-M660 WeakPolarHBondContact OH-CE 3.15Å; Y641-M660 PolarHBondContact OH-SD 3.13Å; Y641-Y665 HydrophobicContact CE2-CE2 4.34Å; Y641-Y665 WeakPolarHBondContact CE2-OH 3.35Å; Y641-Y665 PolarHBondContact OH-OH 3.08Å; Y641-Y665 VanDerWaalsContact OH-OH 3.09Å
642	G	88.1	Confident	90.1	Very high	20 Å²	20	66.5 Å²	66.5	21%	0.206	35%	0.354	C	S	.	.	S	Bend	trans	122.2	-156.7	175	0	0	0	0	0	112.2	T616 C644 L647	T616-G642 CarbonylContact O-C 3.47Å; T616-G642 WeakPolarHBondContact O-CA 3.35Å; G642-C644 VanDerWaalsContact C-N 3.33Å; G642-L647 PolarHBondContact N-O 3.1Å
643	Q	87.8	Confident	89.7	Confident	161 Å²	161	70.3 Å²	70.3	75%	0.752	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-19.6	-177.1	-65.9	-177.3	-7	0	0	112.7	T616 S617	T616-Q643 PolarHBondContact O-N 3.45Å; S617-Q643 PolarHBondContact O-OE1 2.82Å
644	C	88.4	Confident	89.3	Confident	37 Å²	37	72 Å²	72	25%	0.25	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.2	-174.8	-38.5	0	0	0	0	113.2	T616 C619 E626 G642	T616-C644 PolarHBondContact O-N 3.31Å; T616-C644 PolarHBondContact O-SG 3.24Å; T616-C644 VanDerWaalsContact O-SG 3.37Å; C619-C644 WeakPolarHBondContact CA-SG 2.92Å; C619-C644 HydrophobicContact CB-CB 3.92Å; C619-C644 WeakPolarHBondContact CB-SG 3.47Å; C619-C644 PolarHBondContact N-SG 3.34Å; C619-C644 VanDerWaalsContact N-SG 3.4Å; C619-C644 WeakPolarHBondContact SG-CA 3.34Å; C619-C644 WeakPolarHBondContact SG-CB 3.47Å; C619-C644 CovalentContact SG-SG 2.04Å; C619-C644 PolarHBondContact SG-SG 2.77Å; E626-C644 WeakPolarHBondContact OE1-CB 3.25Å; E626-C644 PolarHBondContact OE1-SG 3.24Å; G642-C644 VanDerWaalsContact C-N 3.33Å
645	G	85.7	Confident	89.1	Confident	21 Å²	21	70.1 Å²	70.1	22%	0.216	37%	0.367	C	S	.	.	S	Bend	trans	-137.3	170.5	-179.7	0	0	0	0	0	112	L647	G645-L647 VanDerWaalsContact C-N 3.33Å
646	P	88.9	Confident	89	Confident	114 Å²	114	74 Å²	74	74%	0.74	38%	0.383	S	S	*	.	S	Bend	trans	-74.3	-24	-177	29.5	-34	0	0	0	112.9
647	L	93.3	Very high	88.9	Confident	57 Å²	57	74.1 Å²	74.1	30%	0.298	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-89.7	140	-177.6	-55.6	176	0	0	0	110.4	D639 V640 Y641 G642 G645	D639-L647 HydrophobicContact CB-CD1 3.68Å; V640-L647 WeakPolarHBondContact O-CB 3.17Å; V640-L647 PolarHBondContact O-N 3.18Å; Y641-L647 CarbonylContact C-O 3.45Å; Y641-L647 VanDerWaalsContact CA-O 3.25Å; Y641-L647 WeakPolarHBondContact CA-O 3.24Å; Y641-L647 HydrophobicContact CD1-CB 3.57Å; Y641-L647 HydrophobicContact CD1-CD1 4.44Å; Y641-L647 HydrophobicContact CD2-CB 4.35Å; Y641-L647 HydrophobicContact CD2-CD1 4.15Å; Y641-L647 HydrophobicContact CE1-CB 3.72Å; Y641-L647 HydrophobicContact CE1-CD1 3.98Å; Y641-L647 HydrophobicContact CE1-CG 4.45Å; Y641-L647 HydrophobicContact CE2-CB 4.47Å; Y641-L647 HydrophobicContact CE2-CD1 3.65Å; Y641-L647 HydrophobicContact CG-CB 3.91Å; G642-L647 PolarHBondContact N-O 3.1Å; G645-L647 VanDerWaalsContact C-N 3.33Å
648	K	87.2	Confident	88.6	Confident	183 Å²	183	69 Å²	69	80%	0.796	36%	0.356	S	S	*	.			trans	-97.8	136.5	-177.5	-64.5	-179.2	-177.9	175.2	0	110.6
649	C	87.1	Confident	88.2	Confident	32 Å²	32	72 Å²	72	22%	0.216	37%	0.372	C	S	.	.			trans	-133.3	81.5	164	-179.5	0	0	0	0	108.8	Y641 C657	Y641-C649 HydrophobicContact CD1-CB 4.25Å; C649-C657 VanDerWaalsContact CA-SG 3.5Å; C649-C657 HydrophobicContact CB-CB 4.07Å; C649-C657 WeakPolarHBondContact CB-SG 3.02Å; C649-C657 WeakPolarHBondContact SG-CB 3.47Å; C649-C657 CovalentContact SG-SG 2.02Å; C649-C657 PolarHBondContact SG-SG 3.31Å
650	P	83.9	Confident	87.9	Confident	52 Å²	52	72.1 Å²	72.1	34%	0.338	37%	0.372	S	S	.	.			trans	-66.3	153.4	-179.8	28.1	-32.6	0	0	0	110.6	S652 E653 R654	P650-S652 PolarHBondContact O-N 2.78Å; P650-S652 VanDerWaalsContact O-N 3.13Å; P650-E653 HydrophobicContact CG-CB 4.02Å; P650-E653 HydrophobicContact CG-CG 4.09Å; P650-E653 CarbonylContact O-C 3.56Å; P650-E653 PolarHBondContact O-N 3.15Å; P650-R654 PolarHBondContact O-N 3.44Å
651	K	81.1	Confident	87.7	Confident	162 Å²	162	71.8 Å²	71.8	70%	0.704	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-56	-32.7	-178.8	-72.8	-172.8	176.1	-171.6	0	113.4	E653 R654	K651-E653 PolarHBondContact O-N 2.9Å; K651-R654 WeakPolarHBondContact O-CB 3.41Å; K651-R654 PolarHBondContact O-N 2.79Å
652	S	82.7	Confident	87.5	Confident	95 Å²	95	75.6 Å²	75.6	66%	0.664	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-65.1	-24.4	176.1	51	0	0	0	0	113.6	P650	P650-S652 PolarHBondContact O-N 2.78Å; P650-S652 VanDerWaalsContact O-N 3.13Å
653	E	86.6	Confident	87.6	Confident	80 Å²	80	80.5 Å²	80.5	37%	0.374	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-108.9	16	179.5	-67	-174	-129.6	0	0	112.1	P650 K651 E655 K656 C657	P650-E653 HydrophobicContact CG-CB 4.02Å; P650-E653 HydrophobicContact CG-CG 4.09Å; P650-E653 CarbonylContact O-C 3.56Å; P650-E653 PolarHBondContact O-N 3.15Å; K651-E653 PolarHBondContact O-N 2.9Å; E653-E655 VanDerWaalsContact C-N 3.34Å; E653-E655 PolarHBondContact O-N 2.9Å; E653-K656 HydrophobicContact CB-CB 4.38Å; E653-K656 WeakPolarHBondContact O-CA 3.45Å; E653-K656 WeakPolarHBondContact O-CB 3.41Å; E653-K656 PolarHBondContact O-N 2.61Å; E653-K656 WeakPolarHBondContact OE2-CD 3.1Å; E653-K656 IonicContact OE2-NZ 2.79Å; E653-K656 PolarHBondContact OE2-NZ 3.22Å; E653-C657 PolarHBondContact O-N 2.81Å; E653-C657 PolarHBondContact O-SG 3.21Å
654	R	84.4	Confident	87.9	Confident	114 Å²	114	75.7 Å²	75.7	43%	0.43	38%	0.38	S	S	.	.	H	α-helix	trans	-55	-47.7	-174.9	-171.7	-174.9	-163.4	166.6	10.5	112.4	P650 K651 K656 C657 L658	P650-R654 PolarHBondContact O-N 3.44Å; K651-R654 WeakPolarHBondContact O-CB 3.41Å; K651-R654 PolarHBondContact O-N 2.79Å; R654-K656 VanDerWaalsContact C-N 3.31Å; R654-K656 PolarHBondContact O-N 3.06Å; R654-C657 PolarHBondContact O-N 3.39Å; R654-L658 HydrophobicContact CG-CD1 4.03Å; R654-L658 HydrophobicContact CG-CG 4.42Å; R654-L658 VanDerWaalsContact O-CG 3.29Å; R654-L658 WeakPolarHBondContact O-CG 3.2Å; R654-L658 PolarHBondContact O-N 3.38Å
655	E	85	Confident	88.3	Confident	115 Å²	115	74 Å²	74	54%	0.537	37%	0.368	S	S	.	.	H	α-helix	trans	-61.4	-40.3	177.5	-77.1	-53.9	133.4	0	0	112.2	E653 C657 L658 N659	E653-E655 VanDerWaalsContact C-N 3.34Å; E653-E655 PolarHBondContact O-N 2.9Å; E655-C657 PolarHBondContact O-N 2.61Å; E655-L658 PolarHBondContact O-N 3.35Å; E655-N659 WeakPolarHBondContact O-CB 3.41Å; E655-N659 PolarHBondContact O-N 3.2Å; E655-N659 PolarHBondContact O-ND2 2.85Å
656	K	89.3	Confident	88.7	Confident	139 Å²	139	73.5 Å²	73.5	60%	0.604	36%	0.36	S	S	*	.	H	α-helix	trans	-62.8	-43.7	175.2	-178.5	-177.6	166.2	-160.9	0	111.2	E653 R654 N659 M660	E653-K656 HydrophobicContact CB-CB 4.38Å; E653-K656 WeakPolarHBondContact O-CA 3.45Å; E653-K656 WeakPolarHBondContact O-CB 3.41Å; E653-K656 PolarHBondContact O-N 2.61Å; E653-K656 WeakPolarHBondContact OE2-CD 3.1Å; E653-K656 IonicContact OE2-NZ 2.79Å; E653-K656 PolarHBondContact OE2-NZ 3.22Å; R654-K656 VanDerWaalsContact C-N 3.31Å; R654-K656 PolarHBondContact O-N 3.06Å; K656-N659 PolarHBondContact O-N 3.05Å; K656-M660 WeakPolarHBondContact O-CB 3.28Å; K656-M660 PolarHBondContact O-N 3.09Å
657	C	90	Very high	89.2	Confident	8 Å²	8	68.1 Å²	68.1	5%	0.054	33%	0.325	C	S	.	.	H	α-helix	trans	-65.2	-38.4	175.7	-54.4	0	0	0	0	112.8	F615 C649 E653 R654 E655 M660 L661	F615-C657 HydrophobicContact CE2-CB 3.79Å; F615-C657 HydrophobicContact CZ-CB 3.95Å; C649-C657 VanDerWaalsContact CA-SG 3.5Å; C649-C657 HydrophobicContact CB-CB 4.07Å; C649-C657 WeakPolarHBondContact CB-SG 3.02Å; C649-C657 WeakPolarHBondContact SG-CB 3.47Å; C649-C657 CovalentContact SG-SG 2.02Å; C649-C657 PolarHBondContact SG-SG 3.31Å; E653-C657 PolarHBondContact O-N 2.81Å; E653-C657 PolarHBondContact O-SG 3.21Å; R654-C657 PolarHBondContact O-N 3.39Å; E655-C657 PolarHBondContact O-N 2.61Å; C657-M660 WeakPolarHBondContact O-CB 3.16Å; C657-M660 PolarHBondContact O-N 3.22Å; C657-L661 PolarHBondContact O-N 3.06Å
658	L	87.7	Confident	89.4	Confident	8 Å²	8	65.8 Å²	65.8	4%	0.042	31%	0.312	C	S	.	.	H	α-helix	trans	-70.6	-35.9	178.2	-68.3	174.3	0	0	0	111.4	F615 R654 E655 L661 R662 Y690	F615-L658 HydrophobicContact CE2-CD2 4.27Å; R654-L658 HydrophobicContact CG-CD1 4.03Å; R654-L658 HydrophobicContact CG-CG 4.42Å; R654-L658 VanDerWaalsContact O-CG 3.29Å; R654-L658 WeakPolarHBondContact O-CG 3.2Å; R654-L658 PolarHBondContact O-N 3.38Å; E655-L658 PolarHBondContact O-N 3.35Å; L658-L661 WeakPolarHBondContact O-CB 3.39Å; L658-L661 PolarHBondContact O-N 2.8Å; L658-R662 PolarHBondContact O-N 3.12Å; L658-Y690 HydrophobicContact CB-CD1 4.41Å; L658-Y690 HydrophobicContact CB-CD2 4.38Å; L658-Y690 HydrophobicContact CB-CE1 3.83Å; L658-Y690 HydrophobicContact CB-CE2 3.84Å; L658-Y690 HydrophobicContact CD1-CE2 3.97Å; L658-Y690 WeakPolarHBondContact CD1-OH 3.39Å; L658-Y690 HydrophobicContact CD2-CD2 4.35Å; L658-Y690 HydrophobicContact CD2-CE2 4.01Å; L658-Y690 HydrophobicContact CG-CE2 4.15Å; L658-Y690 WeakPolarHBondContact O-CD1 3.1Å
659	N	89	Confident	89.9	Confident	64 Å²	64	57.2 Å²	57.2	34%	0.342	28%	0.275	S	S	.	.	H	α-helix	trans	-67.4	-40.3	171	-78.6	-28.9	0	0	0	112.4	E655 K656 L661 R662 Q663	E655-N659 WeakPolarHBondContact O-CB 3.41Å; E655-N659 PolarHBondContact O-N 3.2Å; E655-N659 PolarHBondContact O-ND2 2.85Å; K656-N659 PolarHBondContact O-N 3.05Å; N659-L661 VanDerWaalsContact C-N 3.29Å; N659-L661 PolarHBondContact O-N 2.8Å; N659-R662 WeakPolarHBondContact O-CB 3.38Å; N659-R662 PolarHBondContact O-N 2.69Å; N659-R662 VanDerWaalsContact O-N 3.16Å; N659-Q663 WeakPolarHBondContact O-CG 2.89Å; N659-Q663 PolarHBondContact O-N 3.19Å
660	M	90.7	Very high	90.3	Very high	29 Å²	29	55.8 Å²	55.8	14%	0.143	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-41.9	170.3	175.4	-160.9	74.9	0	0	111	F615 Y641 K656 C657 R662 Q663 E664 Y665	F615-M660 HydrophobicContact CE1-CE 4.26Å; F615-M660 HydrophobicContact CZ-CE 4.01Å; Y641-M660 HydrophobicContact CD1-CE 4.19Å; Y641-M660 HydrophobicContact CD2-CE 4.27Å; Y641-M660 HydrophobicContact CE1-CE 3.55Å; Y641-M660 HydrophobicContact CE1-SD 3.94Å; Y641-M660 HydrophobicContact CE2-CE 3.65Å; Y641-M660 WeakPolarHBondContact OH-CE 3.15Å; Y641-M660 PolarHBondContact OH-SD 3.13Å; K656-M660 WeakPolarHBondContact O-CB 3.28Å; K656-M660 PolarHBondContact O-N 3.09Å; C657-M660 WeakPolarHBondContact O-CB 3.16Å; C657-M660 PolarHBondContact O-N 3.22Å; M660-R662 VanDerWaalsContact C-N 3.32Å; M660-R662 PolarHBondContact O-N 3.42Å; M660-Q663 PolarHBondContact O-N 2.99Å; M660-E664 HydrophobicContact CG-CG 4.28Å; M660-E664 WeakPolarHBondContact CG-OE1 3.29Å; M660-E664 WeakPolarHBondContact O-CB 3.42Å; M660-E664 PolarHBondContact O-N 3.29Å; M660-Y665 HydrophobicContact CE-CE2 3.98Å; M660-Y665 HydrophobicContact CG-CE2 4.31Å; M660-Y665 HydrophobicContact SD-CE2 4.45Å
661	L	90.7	Very high	90.9	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-57.6	-44.9	174.5	-176.6	67.7	0	0	0	111.5	A613 F615 C657 L658 N659 Q663 Y665 F668 V692	A613-L661 HydrophobicContact CB-CD1 3.81Å; F615-L661 HydrophobicContact CZ-CB 4.4Å; C657-L661 PolarHBondContact O-N 3.06Å; L658-L661 WeakPolarHBondContact O-CB 3.39Å; L658-L661 PolarHBondContact O-N 2.8Å; N659-L661 VanDerWaalsContact C-N 3.29Å; N659-L661 PolarHBondContact O-N 2.8Å; L661-Q663 PolarHBondContact O-N 3.31Å; L661-Y665 HydrophobicContact CD1-CD2 4.36Å; L661-Y665 HydrophobicContact CD1-CG 4.37Å; L661-Y665 PolarHBondContact O-N 3Å; L661-F668 HydrophobicContact CD1-CB 4.15Å; L661-F668 HydrophobicContact CD1-CD2 3.52Å; L661-F668 HydrophobicContact CD1-CE2 4.3Å; L661-F668 HydrophobicContact CD1-CG 4.16Å; L661-F668 HydrophobicContact CD2-CD2 3.78Å; L661-F668 HydrophobicContact CD2-CE2 4.07Å; L661-F668 HydrophobicContact CD2-CG 4.12Å; L661-F668 HydrophobicContact CG-CD2 4.32Å; L661-V692 HydrophobicContact CD1-CG2 4.37Å; L661-V692 HydrophobicContact CG-CG2 3.91Å; L661-V692 WeakPolarHBondContact O-CG2 3.29Å
662	R	90	Very high	91.5	Very high	97 Å²	97	46.4 Å²	46.4	37%	0.366	22%	0.22	S	C	.	.	H	α-helix	trans	-62.3	-40.1	176.3	179.3	-179.9	-74.5	-165.6	-1.2	113.4	K608 L658 N659 M660 L689 Y690	K608-R662 WeakPolarHBondContact CE-O 3.28Å; K608-R662 PolarHBondContact NZ-O 3.16Å; L658-R662 PolarHBondContact O-N 3.12Å; N659-R662 WeakPolarHBondContact O-CB 3.38Å; N659-R662 PolarHBondContact O-N 2.69Å; N659-R662 VanDerWaalsContact O-N 3.16Å; M660-R662 VanDerWaalsContact C-N 3.32Å; M660-R662 PolarHBondContact O-N 3.42Å; R662-L689 PolarHBondContact NH2-O 3.38Å; R662-Y690 WeakPolarHBondContact CA-O 3.49Å; R662-Y690 HydrophobicContact CB-CD1 3.98Å; R662-Y690 HydrophobicContact CB-CG 4.46Å
663	Q	89.5	Confident	91.8	Very high	123 Å²	123	42.9 Å²	42.9	58%	0.575	19%	0.193	S	C	*	.	H	α-helix	trans	-89.8	-34.1	-170	-69.1	174.5	-2.5	0	0	113.4	K608 N659 M660 L661	K608-Q663 VanDerWaalsContact CG-O 3.26Å; K608-Q663 WeakPolarHBondContact CG-O 3.19Å; N659-Q663 WeakPolarHBondContact O-CG 2.89Å; N659-Q663 PolarHBondContact O-N 3.19Å; M660-Q663 PolarHBondContact O-N 2.99Å; L661-Q663 PolarHBondContact O-N 3.31Å
664	E	93.8	Very high	92	Very high	60 Å²	60	39.2 Å²	39.2	28%	0.28	18%	0.176	S	C	.	.	H	α-helix	trans	-107.8	-28	-167.1	-63	-172.8	-144.1	0	0	114.1	K608 R609 R610 M660	K608-E664 CarbonylContact C-O 3.48Å; K608-E664 WeakPolarHBondContact CA-O 3.23Å; R609-E664 PolarHBondContact N-O 3.46Å; R610-E664 CarbonylContact C-O 3.52Å; R610-E664 WeakPolarHBondContact CA-O 3.27Å; R610-E664 WeakPolarHBondContact CB-O 2.92Å; R610-E664 WeakPolarHBondContact CD-OE2 3.3Å; R610-E664 HydrophobicContact CG-CB 4.41Å; R610-E664 IonicContact CZ-OE2 2.66Å; R610-E664 VanDerWaalsContact CZ-OE2 3.24Å; R610-E664 PolarHBondContact N-O 2.92Å; R610-E664 IonicContact NE-OE2 3.99Å; R610-E664 PolarHBondContact NE-OE2 3.48Å; R610-E664 IonicContact NH2-OE2 3.89Å; M660-E664 HydrophobicContact CG-CG 4.28Å; M660-E664 WeakPolarHBondContact CG-OE1 3.29Å; M660-E664 WeakPolarHBondContact O-CB 3.42Å; M660-E664 PolarHBondContact O-N 3.29Å
665	Y	96.7	Very high	92.1	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.6	-168.1	-69.2	-86.9	0	0	0	114.3	K608 R610 A613 D639 Y641 M660 L661	K608-Y665 VanDerWaalsContact CD-O 3.23Å; K608-Y665 WeakPolarHBondContact CD-O 3.05Å; K608-Y665 VanDerWaalsContact CE-O 3.23Å; K608-Y665 WeakPolarHBondContact CE-O 3.49Å; K608-Y665 PolarHBondContact NZ-O 3.34Å; R610-Y665 HydrophobicContact CB-CD1 3.58Å; R610-Y665 HydrophobicContact CB-CE1 3.4Å; R610-Y665 HydrophobicContact CB-CE2 4.36Å; R610-Y665 HydrophobicContact CB-CG 4.16Å; R610-Y665 WeakPolarHBondContact CD-OH 3.25Å; R610-Y665 HydrophobicContact CG-CE1 4.26Å; R610-Y665 PolarHBondContact NH1-OH 3.22Å; R610-Y665 WeakPolarHBondContact O-CA 3.19Å; A613-Y665 HydrophobicContact CB-CD1 3.51Å; A613-Y665 HydrophobicContact CB-CD2 3.99Å; A613-Y665 HydrophobicContact CB-CE1 3.68Å; A613-Y665 HydrophobicContact CB-CE2 4.14Å; A613-Y665 HydrophobicContact CB-CG 3.66Å; D639-Y665 HydrophobicContact CB-CE1 3.88Å; D639-Y665 WeakPolarHBondContact CB-OH 3.19Å; D639-Y665 VanDerWaalsContact OD2-CE1 3.27Å; D639-Y665 WeakPolarHBondContact OD2-CE1 3.24Å; D639-Y665 VanDerWaalsContact OD2-CZ 3.29Å; D639-Y665 PolarHBondContact OD2-OH 2.78Å; Y641-Y665 HydrophobicContact CE2-CE2 4.34Å; Y641-Y665 WeakPolarHBondContact CE2-OH 3.35Å; Y641-Y665 PolarHBondContact OH-OH 3.08Å; Y641-Y665 VanDerWaalsContact OH-OH 3.09Å; M660-Y665 HydrophobicContact CE-CE2 3.98Å; M660-Y665 HydrophobicContact CG-CE2 4.31Å; M660-Y665 HydrophobicContact SD-CE2 4.45Å; L661-Y665 HydrophobicContact CD1-CD2 4.36Å; L661-Y665 HydrophobicContact CD1-CG 4.37Å; L661-Y665 PolarHBondContact O-N 3Å
666	K	95.5	Very high	92.4	Very high	12 Å²	12	28.5 Å²	28.5	5%	0.052	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	-36.1	174.1	-70.3	-173.7	-178.5	174.8	0	113.4	K608 R610 L611 V692 V693 D731 Y737	K608-K666 HydrophobicContact CB-CG 3.89Å; K608-K666 HydrophobicContact CD-CG 4.03Å; R610-K666 PolarHBondContact O-N 3.25Å; L611-K666 HydrophobicContact CD1-CB 4.48Å; L611-K666 HydrophobicContact CD1-CD 4.49Å; L611-K666 PolarHBondContact O-N 2.99Å; K666-V692 VanDerWaalsContact O-CG1 3.27Å; K666-V692 WeakPolarHBondContact O-CG1 3.44Å; K666-V693 PolarHBondContact O-N 2.89Å; K666-D731 VanDerWaalsContact CD-OD1 3.32Å; K666-D731 WeakPolarHBondContact CD-OD1 3.23Å; K666-D731 WeakPolarHBondContact CE-OD1 3.36Å; K666-D731 PolarHBondContact NZ-O 3.47Å; K666-D731 IonicContact NZ-OD1 2.65Å; K666-D731 PolarHBondContact NZ-OD1 2.73Å; K666-Y737 HydrophobicContact CB-CE2 3.74Å; K666-Y737 HydrophobicContact CD-CE2 4.32Å; K666-Y737 HydrophobicContact CG-CE2 4.16Å; K666-Y737 PolarHBondContact O-OH 3.06Å
667	F	98	Very high	92.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142	-177	-56.2	-77.6	0	0	0	112.2	L611 V612 A613 V692 V693 V695 I712 L727 L730 Y737	L611-F667 HydrophobicContact CD1-CD2 3.69Å; L611-F667 HydrophobicContact CD1-CE2 3.62Å; L611-F667 HydrophobicContact CG-CD2 4.18Å; L611-F667 HydrophobicContact CG-CE2 4.48Å; L611-F667 WeakPolarHBondContact O-CD2 3.45Å; L611-F667 PolarHBondContact O-N 2.56Å; V612-F667 WeakPolarHBondContact CA-O 3.2Å; V612-F667 HydrophobicContact CG1-CB 4.46Å; V612-F667 HydrophobicContact CG2-CB 4.32Å; A613-F667 PolarHBondContact N-O 3.16Å; F667-V692 VanDerWaalsContact C-CG1 3.48Å; F667-V693 WeakPolarHBondContact CA-O 3.39Å; F667-V693 HydrophobicContact CD1-CB 3.73Å; F667-V693 HydrophobicContact CD1-CG1 4.07Å; F667-V693 HydrophobicContact CD1-CG2 4.5Å; F667-V693 HydrophobicContact CE1-CB 3.94Å; F667-V693 HydrophobicContact CE1-CG1 4.14Å; F667-V693 HydrophobicContact CE1-CG2 4.3Å; F667-V695 HydrophobicContact CB-CG2 4.15Å; F667-V695 HydrophobicContact CD1-CG2 4.37Å; F667-I712 HydrophobicContact CD1-CD1 4.04Å; F667-I712 HydrophobicContact CE1-CD1 3.76Å; F667-L727 HydrophobicContact CD1-CD2 3.69Å; F667-L727 HydrophobicContact CD2-CB 4.42Å; F667-L727 HydrophobicContact CD2-CD2 4.09Å; F667-L727 HydrophobicContact CE1-CD2 3.78Å; F667-L727 HydrophobicContact CE2-CB 4.28Å; F667-L727 HydrophobicContact CE2-CD2 4.16Å; F667-L727 HydrophobicContact CG-CD2 3.88Å; F667-L727 HydrophobicContact CZ-CD2 4.02Å; F667-L730 HydrophobicContact CE1-CD1 3.8Å; F667-L730 HydrophobicContact CZ-CB 3.7Å; F667-L730 HydrophobicContact CZ-CD1 3.78Å; F667-L730 HydrophobicContact CZ-CG 4.41Å; F667-Y737 HydrophobicContact CE1-CD2 4.17Å; F667-Y737 HydrophobicContact CE1-CE2 4.12Å; F667-Y737 AromaticContact CZ-CD2 3.81Å; F667-Y737 HydrophobicContact CZ-CD2 3.81Å; F667-Y737 AromaticContact CZ-CE2 3.97Å; F667-Y737 HydrophobicContact CZ-CE2 3.97Å
668	F	97.9	Very high	92.5	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.035	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	126	175.7	-178.8	-107.6	0	0	0	110.7	A613 F615 L661 A670 K683 V692 V693 P694 V695	A613-F668 HydrophobicContact CB-CD2 4.27Å; A613-F668 CarbonylContact O-C 3.56Å; A613-F668 WeakPolarHBondContact O-CA 3.26Å; A613-F668 WeakPolarHBondContact O-CD2 3.27Å; F615-F668 HydrophobicContact CB-CE2 3.98Å; F615-F668 HydrophobicContact CB-CZ 4.05Å; F615-F668 AromaticContact CD1-CE2 3.77Å; F615-F668 HydrophobicContact CD1-CE2 3.77Å; F615-F668 HydrophobicContact CD2-CE2 4.36Å; F615-F668 HydrophobicContact CE1-CE2 4.34Å; F615-F668 AromaticContact CG-CE2 3.78Å; F615-F668 HydrophobicContact CG-CE2 3.78Å; F615-F668 HydrophobicContact CG-CZ 4.25Å; L661-F668 HydrophobicContact CD1-CB 4.15Å; L661-F668 HydrophobicContact CD1-CD2 3.52Å; L661-F668 HydrophobicContact CD1-CE2 4.3Å; L661-F668 HydrophobicContact CD1-CG 4.16Å; L661-F668 HydrophobicContact CD2-CD2 3.78Å; L661-F668 HydrophobicContact CD2-CE2 4.07Å; L661-F668 HydrophobicContact CD2-CG 4.12Å; L661-F668 HydrophobicContact CG-CD2 4.32Å; F668-A670 HydrophobicContact CD1-CB 4.01Å; F668-A670 HydrophobicContact CE1-CB 4.18Å; F668-A670 PolarHBondContact O-N 3.24Å; F668-K683 HydrophobicContact CE1-CB 4.19Å; F668-V692 HydrophobicContact CB-CB 4.44Å; F668-V692 HydrophobicContact CB-CG1 3.75Å; F668-V693 PolarHBondContact N-O 2.62Å; F668-P694 WeakPolarHBondContact O-CA 3.41Å; F668-V695 PolarHBondContact O-N 2.91Å
669	L	97.6	Very high	92.8	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	89.7	174.5	-53.4	-168.9	0	0	0	109.6	V612 A613 A614 I629 L632 V638 F671 V695	V612-L669 HydrophobicContact CG1-CD1 4.15Å; V612-L669 HydrophobicContact CG1-CD2 3.54Å; V612-L669 HydrophobicContact CG1-CG 3.64Å; A613-L669 PolarHBondContact O-N 3.33Å; A614-L669 HydrophobicContact CB-CB 3.89Å; A614-L669 HydrophobicContact CB-CD1 3.98Å; A614-L669 HydrophobicContact CB-CG 4.13Å; I629-L669 HydrophobicContact CG1-CD1 3.86Å; L632-L669 HydrophobicContact CD2-CD1 4.1Å; L632-L669 HydrophobicContact CD2-CD2 4.2Å; V638-L669 HydrophobicContact CG1-CD1 3.79Å; V638-L669 HydrophobicContact CG1-CG 4.5Å; L669-F671 HydrophobicContact CB-CD1 4.2Å; L669-F671 HydrophobicContact CB-CD2 4.25Å; L669-F671 HydrophobicContact CB-CE1 4.24Å; L669-F671 HydrophobicContact CB-CE2 4.3Å; L669-F671 HydrophobicContact CB-CG 4.21Å; L669-F671 HydrophobicContact CB-CZ 4.29Å; L669-F671 HydrophobicContact CD1-CD2 4.47Å; L669-F671 HydrophobicContact CD1-CE2 3.95Å; L669-F671 HydrophobicContact CD1-CZ 4.21Å; L669-F671 HydrophobicContact CD2-CE1 4.37Å; L669-F671 HydrophobicContact CD2-CZ 4.12Å; L669-F671 HydrophobicContact CG-CZ 4.44Å; L669-F671 PolarHBondContact O-N 3.39Å; L669-V695 CarbonylContact C-O 3.47Å; L669-V695 HydrophobicContact CD2-CB 3.6Å; L669-V695 HydrophobicContact CD2-CG1 3.89Å; L669-V695 HydrophobicContact CD2-CG2 4.04Å
670	A	96.3	Very high	93	Very high	2 Å²	2	21.5 Å²	21.5	2%	0.017	10%	0.098	C	C	.	.			trans	-77.5	55.3	174.2	0	0	0	0	0	110.9	F668 K683 L684 P694 V695 V696	F668-A670 HydrophobicContact CD1-CB 4.01Å; F668-A670 HydrophobicContact CE1-CB 4.18Å; F668-A670 PolarHBondContact O-N 3.24Å; A670-K683 HydrophobicContact CB-CB 4.32Å; A670-L684 HydrophobicContact CB-CD1 4.16Å; A670-P694 HydrophobicContact CB-CB 4.25Å; A670-V695 PolarHBondContact N-O 3.19Å; A670-V696 HydrophobicContact CB-CG1 4.4Å
671	F	96	Very high	93.1	Very high	2 Å²	2	20.2 Å²	20.2	1%	0.009	9%	0.091	C	C	.	.			trans	-85.1	117.9	-175.2	-71	-2.8	0	0	0	111.8	R625 Y628 I629 L669 V695 L697 I714	R625-F671 HydrophobicContact CB-CB 3.92Å; R625-F671 HydrophobicContact CB-CD2 3.98Å; R625-F671 HydrophobicContact CB-CG 4.39Å; R625-F671 HydrophobicContact CG-CB 4.46Å; R625-F671 PolarHBondContact NH1-O 2.78Å; Y628-F671 AromaticContact CD1-CE2 3.89Å; Y628-F671 HydrophobicContact CD1-CE2 3.89Å; Y628-F671 AromaticContact CD1-CZ 3.96Å; Y628-F671 HydrophobicContact CD1-CZ 3.96Å; Y628-F671 HydrophobicContact CE1-CZ 4.32Å; I629-F671 HydrophobicContact CD1-CD2 4Å; I629-F671 HydrophobicContact CD1-CE2 4.49Å; I629-F671 HydrophobicContact CG1-CD2 3.78Å; I629-F671 HydrophobicContact CG1-CE2 3.79Å; L669-F671 HydrophobicContact CB-CD1 4.2Å; L669-F671 HydrophobicContact CB-CD2 4.25Å; L669-F671 HydrophobicContact CB-CE1 4.24Å; L669-F671 HydrophobicContact CB-CE2 4.3Å; L669-F671 HydrophobicContact CB-CG 4.21Å; L669-F671 HydrophobicContact CB-CZ 4.29Å; L669-F671 HydrophobicContact CD1-CD2 4.47Å; L669-F671 HydrophobicContact CD1-CE2 3.95Å; L669-F671 HydrophobicContact CD1-CZ 4.21Å; L669-F671 HydrophobicContact CD2-CE1 4.37Å; L669-F671 HydrophobicContact CD2-CZ 4.12Å; L669-F671 HydrophobicContact CG-CZ 4.44Å; L669-F671 PolarHBondContact O-N 3.39Å; F671-V695 WeakPolarHBondContact CD1-O 3.34Å; F671-V695 HydrophobicContact CE1-CG1 4.17Å; F671-V695 WeakPolarHBondContact CE1-O 3.4Å; F671-V695 HydrophobicContact CZ-CG1 4.5Å; F671-L697 HydrophobicContact CB-CD1 4.18Å; F671-L697 HydrophobicContact CB-CD2 4.27Å; F671-L697 HydrophobicContact CB-CG 3.98Å; F671-L697 HydrophobicContact CD1-CD2 3.79Å; F671-L697 HydrophobicContact CD1-CG 3.74Å; F671-L697 HydrophobicContact CD2-CD2 3.79Å; F671-L697 HydrophobicContact CD2-CG 4.39Å; F671-L697 HydrophobicContact CE1-CD2 3.99Å; F671-L697 HydrophobicContact CE1-CG 4.3Å; F671-L697 HydrophobicContact CE2-CD2 3.98Å; F671-L697 HydrophobicContact CG-CD1 4.46Å; F671-L697 HydrophobicContact CG-CD2 3.69Å; F671-L697 HydrophobicContact CG-CG 3.78Å; F671-L697 HydrophobicContact CZ-CD2 4.08Å; F671-I714 HydrophobicContact CE1-CG2 3.86Å; F671-I714 HydrophobicContact CZ-CG2 3.67Å
672	E	93.7	Very high	93.1	Very high	14 Å²	14	21.7 Å²	21.7	7%	0.065	10%	0.098	C	C	.	.			trans	-72.1	154	-179.2	-58.9	-57.2	169.9	0	0	113.6	S623 N674 Y679 T681	S623-E672 WeakPolarHBondContact CB-O 3.32Å; S623-E672 PolarHBondContact OG-O 2.64Å; E672-N674 VanDerWaalsContact C-N 3.28Å; E672-N674 VanDerWaalsContact CB-O 3.27Å; E672-N674 WeakPolarHBondContact CB-O 2.94Å; E672-Y679 HydrophobicContact CB-CD1 4.44Å; E672-Y679 HydrophobicContact CB-CE1 4.35Å; E672-T681 PolarHBondContact OE1-N 2.77Å; E672-T681 WeakPolarHBondContact OE2-CB 3.29Å; E672-T681 WeakPolarHBondContact OE2-CG2 3.48Å; E672-T681 PolarHBondContact OE2-OG1 3.12Å; E672-T681 VanDerWaalsContact OE2-OG1 3.07Å
673	N	89.3	Confident	93.2	Very high	21 Å²	21	18.5 Å²	18.5	11%	0.112	9%	0.087	C	C	.	.	S	Bend	trans	-63.9	-38.8	174.7	-67.9	-13.7	0	0	0	110.4	N618 P621 S623 R625	N618-N673 PolarHBondContact ND2-ND2 3.18Å; P621-N673 HydrophobicContact CB-CB 4.03Å; P621-N673 WeakPolarHBondContact CB-O 3.43Å; S623-N673 WeakPolarHBondContact CB-O 3.26Å; S623-N673 PolarHBondContact N-O 3.08Å; S623-N673 PolarHBondContact OG-O 3.29Å; S623-N673 VanDerWaalsContact OG-O 3.06Å; R625-N673 PolarHBondContact NH1-OD1 3.3Å; R625-N673 PolarHBondContact NH2-OD1 3.15Å
674	N	90.1	Very high	93.5	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.016	6%	0.06	C	C	.	.	S	Bend	trans	-128.3	148.9	178.5	-60.6	5.5	0	0	0	109.2	P552 Q554 P622 E672 Y679	P552-N674 HydrophobicContact CB-CB 4.1Å; P552-N674 WeakPolarHBondContact CB-ND2 3.4Å; P552-N674 HydrophobicContact CG-CB 4.08Å; P552-N674 WeakPolarHBondContact CG-ND2 3.45Å; Q554-N674 PolarHBondContact OE1-ND2 3.11Å; P622-N674 WeakPolarHBondContact CD-OD1 3.43Å; P622-N674 WeakPolarHBondContact CG-OD1 3.4Å; E672-N674 VanDerWaalsContact C-N 3.28Å; E672-N674 VanDerWaalsContact CB-O 3.27Å; E672-N674 WeakPolarHBondContact CB-O 2.94Å; N674-Y679 HydrophobicContact CB-CD1 4.49Å; N674-Y679 WeakPolarHBondContact O-CD1 3.46Å
675	V	88.4	Confident	93.5	Very high	5 Å²	5	10 Å²	10	3%	0.03	5%	0.047	C	C	.	.	B	Isolated β-bridge	trans	-105.9	90.6	173.9	-176.5	0	0	0	0	107.6	L697 I701 C794 L795 Y798	V675-L697 HydrophobicContact CG2-CB 4.17Å; V675-L697 HydrophobicContact CG2-CD1 3.7Å; V675-I701 HydrophobicContact CG1-CG1 3.95Å; V675-C794 CarbonylContact O-C 3.59Å; V675-C794 VanDerWaalsContact O-CA 3.26Å; V675-C794 WeakPolarHBondContact O-CA 3.47Å; V675-L795 HydrophobicContact CB-CB 4.25Å; V675-L795 HydrophobicContact CG1-CB 4.46Å; V675-L795 HydrophobicContact CG1-CD1 4.23Å; V675-L795 PolarHBondContact O-N 2.88Å; V675-Y798 HydrophobicContact CB-CD2 4.38Å; V675-Y798 HydrophobicContact CB-CG 4.38Å; V675-Y798 HydrophobicContact CG1-CD2 4.02Å; V675-Y798 HydrophobicContact CG1-CE2 4.29Å; V675-Y798 HydrophobicContact CG1-CG 4.31Å; V675-Y798 HydrophobicContact CG2-CD1 4.35Å; V675-Y798 HydrophobicContact CG2-CD2 4.42Å; V675-Y798 HydrophobicContact CG2-CG 3.93Å
676	C	89.9	Confident	93.1	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	6%	0.057	C	C	.	.			trans	-123.9	158.7	-175.7	-55.7	0	0	0	0	111.5	D678 Y679 I701 C794	C676-D678 PolarHBondContact O-N 2.82Å; C676-Y679 PolarHBondContact O-N 3.32Å; C676-Y679 VanDerWaalsContact O-N 3.14Å; C676-I701 WeakPolarHBondContact O-CD1 3.11Å; C676-C794 HydrophobicContact CB-CB 4.05Å; C676-C794 WeakPolarHBondContact CB-SG 3.25Å; C676-C794 WeakPolarHBondContact SG-CB 3.46Å; C676-C794 CovalentContact SG-SG 2.03Å; C676-C794 PolarHBondContact SG-SG 3.19Å
677	K	88.8	Confident	92.9	Very high	51 Å²	51	11.9 Å²	11.9	22%	0.222	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.2	125.6	172.2	-177	-173.8	176.3	-176.4	0	109.6	Y572 Y679 G792 R793	Y572-K677 WeakPolarHBondContact CE2-O 3.47Å; K677-Y679 PolarHBondContact O-N 3.26Å; K677-Y679 VanDerWaalsContact O-N 3.1Å; K677-G792 WeakPolarHBondContact CB-O 3.37Å; K677-G792 PolarHBondContact N-O 2.99Å; K677-R793 HydrophobicContact CB-CB 4.47Å
678	D	93.4	Very high	92.6	Very high	10 Å²	10	12 Å²	12	5%	0.053	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	1.9	178.5	-54.1	-32.9	0	0	0	116.4	Y572 R574 C676 V680 F705	Y572-D678 HydrophobicContact CD2-CB 4.41Å; Y572-D678 WeakPolarHBondContact CD2-O 3.46Å; Y572-D678 HydrophobicContact CE2-CB 4.44Å; R574-D678 HydrophobicContact CG-CB 4.39Å; R574-D678 IonicContact CZ-OD1 3.24Å; R574-D678 VanDerWaalsContact CZ-OD1 3.23Å; R574-D678 PolarHBondContact N-OD2 3Å; R574-D678 IonicContact NE-OD1 3.43Å; R574-D678 PolarHBondContact NE-OD1 2.96Å; R574-D678 IonicContact NE-OD2 3.26Å; R574-D678 IonicContact NH2-OD1 2.88Å; R574-D678 PolarHBondContact NH2-OD1 3.26Å; C676-D678 PolarHBondContact O-N 2.82Å; D678-V680 PolarHBondContact O-N 3.32Å; D678-F705 HydrophobicContact CB-CZ 3.99Å; D678-F705 WeakPolarHBondContact O-CZ 3.44Å
679	Y	94.5	Very high	92.1	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.02	7%	0.069	C	C	.	.			trans	-86.4	101.5	-177	-173.4	-103.9	0	0	0	111.6	P552 Y572 Y582 E672 N674 C676 K677 T681	P552-Y679 HydrophobicContact CB-CD1 4.31Å; P552-Y679 HydrophobicContact CB-CD2 3.92Å; P552-Y679 HydrophobicContact CB-CE1 4.28Å; P552-Y679 HydrophobicContact CB-CE2 3.89Å; P552-Y679 HydrophobicContact CB-CG 4.13Å; P552-Y679 VanDerWaalsContact CD-CE2 3.42Å; P552-Y679 WeakPolarHBondContact CD-OH 3.22Å; P552-Y679 HydrophobicContact CG-CD2 4.41Å; P552-Y679 HydrophobicContact CG-CE1 4.05Å; P552-Y679 HydrophobicContact CG-CE2 3.88Å; Y572-Y679 AromaticContact CD1-CD2 3.87Å; Y572-Y679 HydrophobicContact CD1-CD2 3.87Å; Y572-Y679 HydrophobicContact CD1-CE2 4.4Å; Y572-Y679 AromaticContact CD2-CD2 3.98Å; Y572-Y679 HydrophobicContact CD2-CD2 3.98Å; Y572-Y679 AromaticContact CE1-CD2 3.67Å; Y572-Y679 HydrophobicContact CE1-CD2 3.67Å; Y572-Y679 HydrophobicContact CE1-CE2 4.35Å; Y572-Y679 AromaticContact CE2-CD2 3.85Å; Y572-Y679 HydrophobicContact CE2-CD2 3.85Å; Y572-Y679 HydrophobicContact CE2-CG 4.18Å; Y572-Y679 HydrophobicContact CG-CD2 4.03Å; Y572-Y679 AromaticContact CZ-CD2 3.68Å; Y582-Y679 HydrophobicContact CE2-CE2 4.46Å; E672-Y679 HydrophobicContact CB-CD1 4.44Å; E672-Y679 HydrophobicContact CB-CE1 4.35Å; N674-Y679 HydrophobicContact CB-CD1 4.49Å; N674-Y679 WeakPolarHBondContact O-CD1 3.46Å; C676-Y679 PolarHBondContact O-N 3.32Å; C676-Y679 VanDerWaalsContact O-N 3.14Å; K677-Y679 PolarHBondContact O-N 3.26Å; K677-Y679 VanDerWaalsContact O-N 3.1Å; Y679-T681 HydrophobicContact CD1-CG2 4.44Å; Y679-T681 HydrophobicContact CE1-CG2 3.62Å; Y679-T681 HydrophobicContact CE2-CG2 3.96Å; Y679-T681 VanDerWaalsContact OH-CG2 3.22Å; Y679-T681 WeakPolarHBondContact OH-CG2 3.08Å
680	V	93	Very high	91.8	Very high	6 Å²	6	15.9 Å²	15.9	4%	0.036	7%	0.074	C	C	.	.			trans	-131.3	138.2	169.7	-68	0	0	0	0	108.6	Y582 D678 L684 F685 I701 F705	Y582-V680 WeakPolarHBondContact CD2-O 3.09Å; D678-V680 PolarHBondContact O-N 3.32Å; V680-L684 HydrophobicContact CB-CD2 3.86Å; V680-L684 HydrophobicContact CG1-CD2 3.82Å; V680-L684 HydrophobicContact CG2-CD2 4.36Å; V680-F685 HydrophobicContact CG2-CE2 3.94Å; V680-F685 HydrophobicContact CG2-CZ 3.94Å; V680-I701 HydrophobicContact CG1-CG2 3.98Å; V680-F705 HydrophobicContact CB-CD2 4.3Å; V680-F705 HydrophobicContact CG1-CD2 3.69Å; V680-F705 HydrophobicContact CG1-CE2 3.92Å; V680-F705 HydrophobicContact CG1-CG 4.47Å; V680-F705 HydrophobicContact CG2-CB 4.31Å; V680-F705 HydrophobicContact CG2-CD1 3.9Å; V680-F705 HydrophobicContact CG2-CD2 3.57Å; V680-F705 HydrophobicContact CG2-CE1 4.15Å; V680-F705 HydrophobicContact CG2-CE2 3.8Å; V680-F705 HydrophobicContact CG2-CG 3.62Å; V680-F705 HydrophobicContact CG2-CZ 4.1Å
681	T	93.1	Very high	91.4	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	8%	0.077	C	C	.	.			trans	-111.9	-177.3	-175.6	93.8	0	0	0	0	112.1	Y582 E672 Y679 K683 L684 F685	Y582-T681 HydrophobicContact CD2-CG2 4.25Å; Y582-T681 HydrophobicContact CE2-CG2 4.13Å; E672-T681 PolarHBondContact OE1-N 2.77Å; E672-T681 WeakPolarHBondContact OE2-CB 3.29Å; E672-T681 WeakPolarHBondContact OE2-CG2 3.48Å; E672-T681 PolarHBondContact OE2-OG1 3.12Å; E672-T681 VanDerWaalsContact OE2-OG1 3.07Å; Y679-T681 HydrophobicContact CD1-CG2 4.44Å; Y679-T681 HydrophobicContact CE1-CG2 3.62Å; Y679-T681 HydrophobicContact CE2-CG2 3.96Å; Y679-T681 VanDerWaalsContact OH-CG2 3.22Å; Y679-T681 WeakPolarHBondContact OH-CG2 3.08Å; T681-K683 PolarHBondContact O-N 3.35Å; T681-K683 PolarHBondContact OG1-NZ 3.4Å; T681-K683 VanDerWaalsContact OG1-NZ 3.1Å; T681-L684 PolarHBondContact O-N 3.09Å; T681-L684 VanDerWaalsContact O-N 3.11Å; T681-F685 WeakPolarHBondContact O-CD2 3.33Å
682	E	90.3	Very high	91.4	Very high	32 Å²	32	16.5 Å²	16.5	15%	0.15	8%	0.077	C	C	.	.	H	α-helix	trans	-57.2	-19.1	-179	81.4	-64.8	167.4	0	0	113.7	Y582 L684 R686	Y582-E682 HydrophobicContact CD1-CB 4.25Å; E682-L684 VanDerWaalsContact C-N 3.31Å; E682-L684 PolarHBondContact O-N 2.81Å; E682-R686 VanDerWaalsContact CG-NH2 3.3Å; E682-R686 WeakPolarHBondContact O-CB 3.31Å; E682-R686 WeakPolarHBondContact O-CG 3.36Å; E682-R686 PolarHBondContact O-N 3.49Å; E682-R686 IonicContact OE1-NH1 3.69Å; E682-R686 PolarHBondContact OE1-NH1 2.77Å
683	K	92	Very high	91.5	Very high	29 Å²	29	15.9 Å²	15.9	13%	0.126	7%	0.074	C	C	.	.	H	α-helix	trans	-61.9	-41	176.7	-70.5	170.3	-156.6	62	0	111.5	F668 A670 T681 S687	F668-K683 HydrophobicContact CE1-CB 4.19Å; A670-K683 HydrophobicContact CB-CB 4.32Å; T681-K683 PolarHBondContact O-N 3.35Å; T681-K683 PolarHBondContact OG1-NZ 3.4Å; T681-K683 VanDerWaalsContact OG1-NZ 3.1Å; K683-S687 PolarHBondContact O-N 2.85Å
684	L	94.9	Very high	91.9	Very high	2 Å²	2	14.9 Å²	14.9	1%	0.01	7%	0.069	C	C	.	.	H	α-helix	trans	-63.6	-55.2	178.5	-171.8	61.7	0	0	0	110.5	A670 V680 T681 E682 S687 P694 V696 A702 L706	A670-L684 HydrophobicContact CB-CD1 4.16Å; V680-L684 HydrophobicContact CB-CD2 3.86Å; V680-L684 HydrophobicContact CG1-CD2 3.82Å; V680-L684 HydrophobicContact CG2-CD2 4.36Å; T681-L684 PolarHBondContact O-N 3.09Å; T681-L684 VanDerWaalsContact O-N 3.11Å; E682-L684 VanDerWaalsContact C-N 3.31Å; E682-L684 PolarHBondContact O-N 2.81Å; L684-S687 PolarHBondContact O-N 3.48Å; L684-S687 PolarHBondContact O-OG 2.98Å; L684-P694 HydrophobicContact CD1-CB 3.94Å; L684-P694 HydrophobicContact CD1-CG 4.31Å; L684-V696 HydrophobicContact CD1-CG1 3.39Å; L684-A702 HydrophobicContact CD2-CB 4.42Å; L684-L706 HydrophobicContact CD1-CD1 3.64Å; L684-L706 HydrophobicContact CD2-CD1 3.95Å; L684-L706 HydrophobicContact CD2-CD2 4.18Å; L684-L706 HydrophobicContact CD2-CG 3.98Å; L684-L706 HydrophobicContact CG-CD1 3.91Å; L684-L706 HydrophobicContact CG-CD2 4.25Å; L684-L706 HydrophobicContact CG-CG 4.32Å
685	F	94.1	Very high	92.3	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.013	7%	0.068	C	C	.	.	H	α-helix	trans	-71	-34.1	-175.1	-56	-72.9	0	0	0	113.2	G583 V585 V680 T681 S687 L688 L689 F705 L706 V749	G583-F685 VanDerWaalsContact C-CZ 3.44Å; G583-F685 WeakPolarHBondContact O-CE2 3.31Å; G583-F685 WeakPolarHBondContact O-CZ 3.01Å; V585-F685 HydrophobicContact CG2-CD1 4.37Å; V585-F685 HydrophobicContact CG2-CE1 4.4Å; V680-F685 HydrophobicContact CG2-CE2 3.94Å; V680-F685 HydrophobicContact CG2-CZ 3.94Å; T681-F685 WeakPolarHBondContact O-CD2 3.33Å; F685-S687 VanDerWaalsContact C-N 3.34Å; F685-S687 PolarHBondContact O-N 3.06Å; F685-L688 WeakPolarHBondContact O-CB 3.38Å; F685-L688 PolarHBondContact O-N 3.09Å; F685-L689 PolarHBondContact O-N 2.89Å; F685-F705 HydrophobicContact CE1-CB 4.45Å; F685-F705 HydrophobicContact CZ-CB 4.23Å; F685-L706 HydrophobicContact CE1-CD2 4.33Å; F685-V749 HydrophobicContact CB-CG1 3.98Å; F685-V749 HydrophobicContact CD1-CG1 4.29Å
686	R	88.7	Confident	92.8	Very high	52 Å²	52	14.9 Å²	14.9	20%	0.196	7%	0.068	C	C	.	.	H	α-helix	trans	-59.5	-43.7	173.6	-80.2	-177.1	-172.4	130.9	16.9	111.9	E682 L688 L689 Y690	E682-R686 VanDerWaalsContact CG-NH2 3.3Å; E682-R686 WeakPolarHBondContact O-CB 3.31Å; E682-R686 WeakPolarHBondContact O-CG 3.36Å; E682-R686 PolarHBondContact O-N 3.49Å; E682-R686 IonicContact OE1-NH1 3.69Å; E682-R686 PolarHBondContact OE1-NH1 2.77Å; R686-L688 PolarHBondContact O-N 3.21Å; R686-L689 PolarHBondContact O-N 3.41Å; R686-L689 VanDerWaalsContact O-N 3.11Å; R686-Y690 HydrophobicContact CB-CD2 4.31Å; R686-Y690 HydrophobicContact CB-CE2 4.41Å; R686-Y690 HydrophobicContact CG-CE2 4.42Å; R686-Y690 WeakPolarHBondContact O-CD2 3.45Å; R686-Y690 PolarHBondContact O-N 2.86Å
687	S	90.5	Very high	93	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-55.4	-39.1	179.5	70.8	0	0	0	0	112.2	K683 L684 F685 Y690 N691 V692 P694	K683-S687 PolarHBondContact O-N 2.85Å; L684-S687 PolarHBondContact O-N 3.48Å; L684-S687 PolarHBondContact O-OG 2.98Å; F685-S687 VanDerWaalsContact C-N 3.34Å; F685-S687 PolarHBondContact O-N 3.06Å; S687-Y690 PolarHBondContact O-N 2.73Å; S687-N691 PolarHBondContact O-N 2.65Å; S687-V692 CarbonylContact C-O 3.53Å; S687-V692 PolarHBondContact O-N 3.01Å; S687-P694 VanDerWaalsContact OG-CB 3.22Å; S687-P694 WeakPolarHBondContact OG-CB 3.31Å; S687-P694 WeakPolarHBondContact OG-CG 3.33Å
688	L	91.8	Very high	93.2	Very high	2 Å²	2	13 Å²	13	1%	0.01	6%	0.061	C	C	.	.	H	α-helix	trans	-69.4	-44.9	176.4	-58.6	177.6	0	0	0	112.3	V585 F685 R686 Y690 N691 P694 L706 W743 V749	V585-L688 HydrophobicContact CG2-CD1 3.94Å; F685-L688 WeakPolarHBondContact O-CB 3.38Å; F685-L688 PolarHBondContact O-N 3.09Å; R686-L688 PolarHBondContact O-N 3.21Å; L688-Y690 PolarHBondContact O-N 3.39Å; L688-N691 PolarHBondContact O-N 3.24Å; L688-N691 VanDerWaalsContact O-N 3.11Å; L688-P694 HydrophobicContact CD2-CG 3.72Å; L688-P694 HydrophobicContact CG-CG 4.31Å; L688-L706 HydrophobicContact CD1-CD2 3.42Å; L688-L706 VanDerWaalsContact CD1-CD2 3.42Å; L688-W743 HydrophobicContact CB-CH2 3.85Å; L688-W743 HydrophobicContact CB-CZ2 3.87Å; L688-W743 HydrophobicContact CD1-CH2 4.44Å; L688-W743 HydrophobicContact CD1-CZ2 4.46Å; L688-W743 HydrophobicContact CD2-CH2 4.36Å; L688-W743 HydrophobicContact CD2-CZ2 3.65Å; L688-W743 HydrophobicContact CG-CH2 4.44Å; L688-W743 HydrophobicContact CG-CZ2 4.19Å; L688-V749 HydrophobicContact CB-CG2 3.74Å; L688-V749 HydrophobicContact CD1-CG2 4.33Å
689	L	88.8	Confident	93.2	Very high	64 Å²	64	16.1 Å²	16.1	34%	0.335	7%	0.072	S	C	.	.	H	α-helix	trans	-60.3	-25.4	175.5	-74.8	166.9	0	0	0	113.6	R662 F685 R686 V749 D751	R662-L689 PolarHBondContact NH2-O 3.38Å; F685-L689 PolarHBondContact O-N 2.89Å; R686-L689 PolarHBondContact O-N 3.41Å; R686-L689 VanDerWaalsContact O-N 3.11Å; L689-V749 HydrophobicContact CD1-CG1 4.27Å; L689-V749 HydrophobicContact CD2-CB 3.83Å; L689-V749 HydrophobicContact CD2-CG1 4.15Å; L689-V749 HydrophobicContact CG-CB 4.03Å; L689-V749 HydrophobicContact CG-CG1 3.9Å; L689-D751 HydrophobicContact CD1-CB 4.13Å
690	Y	89.8	Confident	92.9	Very high	30 Å²	30	19.9 Å²	19.9	12%	0.118	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	18.7	178.6	-67	-77	0	0	0	113.1	L658 R662 R686 S687 L688 V692	L658-Y690 HydrophobicContact CB-CD1 4.41Å; L658-Y690 HydrophobicContact CB-CD2 4.38Å; L658-Y690 HydrophobicContact CB-CE1 3.83Å; L658-Y690 HydrophobicContact CB-CE2 3.84Å; L658-Y690 HydrophobicContact CD1-CE2 3.97Å; L658-Y690 WeakPolarHBondContact CD1-OH 3.39Å; L658-Y690 HydrophobicContact CD2-CD2 4.35Å; L658-Y690 HydrophobicContact CD2-CE2 4.01Å; L658-Y690 HydrophobicContact CG-CE2 4.15Å; L658-Y690 WeakPolarHBondContact O-CD1 3.1Å; R662-Y690 WeakPolarHBondContact CA-O 3.49Å; R662-Y690 HydrophobicContact CB-CD1 3.98Å; R662-Y690 HydrophobicContact CB-CG 4.46Å; R686-Y690 HydrophobicContact CB-CD2 4.31Å; R686-Y690 HydrophobicContact CB-CE2 4.41Å; R686-Y690 HydrophobicContact CG-CE2 4.42Å; R686-Y690 WeakPolarHBondContact O-CD2 3.45Å; R686-Y690 PolarHBondContact O-N 2.86Å; S687-Y690 PolarHBondContact O-N 2.73Å; L688-Y690 PolarHBondContact O-N 3.39Å; Y690-V692 VanDerWaalsContact C-N 3.29Å; Y690-V692 VanDerWaalsContact O-CG2 3.27Å; Y690-V692 WeakPolarHBondContact O-CG2 3.46Å; Y690-V692 PolarHBondContact O-N 2.78Å
691	N	89	Confident	92.8	Very high	17 Å²	17	21 Å²	21	9%	0.091	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	41.6	176.2	-57.8	-25.5	0	0	0	113.1	L601 K608 S687 L688 F741 M744	L601-N691 HydrophobicContact CD2-CB 4.33Å; K608-N691 PolarHBondContact NZ-O 3.4Å; S687-N691 PolarHBondContact O-N 2.65Å; L688-N691 PolarHBondContact O-N 3.24Å; L688-N691 VanDerWaalsContact O-N 3.11Å; N691-F741 VanDerWaalsContact C-CE1 3.47Å; N691-F741 HydrophobicContact CB-CE1 4.46Å; N691-F741 WeakPolarHBondContact O-CZ 3.39Å; N691-M744 WeakPolarHBondContact OD1-CE 2.98Å
692	V	94.7	Very high	92.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.106	C	C	.	.			trans	-119.6	141.3	178.4	-169.6	0	0	0	0	109.2	L661 K666 F667 F668 S687 Y690 P694	L661-V692 HydrophobicContact CD1-CG2 4.37Å; L661-V692 HydrophobicContact CG-CG2 3.91Å; L661-V692 WeakPolarHBondContact O-CG2 3.29Å; K666-V692 VanDerWaalsContact O-CG1 3.27Å; K666-V692 WeakPolarHBondContact O-CG1 3.44Å; F667-V692 VanDerWaalsContact C-CG1 3.48Å; F668-V692 HydrophobicContact CB-CB 4.44Å; F668-V692 HydrophobicContact CB-CG1 3.75Å; S687-V692 CarbonylContact C-O 3.53Å; S687-V692 PolarHBondContact O-N 3.01Å; Y690-V692 VanDerWaalsContact C-N 3.29Å; Y690-V692 VanDerWaalsContact O-CG2 3.27Å; Y690-V692 WeakPolarHBondContact O-CG2 3.46Å; Y690-V692 PolarHBondContact O-N 2.78Å; V692-P694 VanDerWaalsContact O-CD 3.22Å; V692-P694 WeakPolarHBondContact O-CD 3.22Å
693	V	97.1	Very high	93	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.006	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	118.8	177.9	-178.2	0	0	0	0	109.5	K666 F667 F668 I712 Y737 Y740 F741	K666-V693 PolarHBondContact O-N 2.89Å; F667-V693 WeakPolarHBondContact CA-O 3.39Å; F667-V693 HydrophobicContact CD1-CB 3.73Å; F667-V693 HydrophobicContact CD1-CG1 4.07Å; F667-V693 HydrophobicContact CD1-CG2 4.5Å; F667-V693 HydrophobicContact CE1-CB 3.94Å; F667-V693 HydrophobicContact CE1-CG1 4.14Å; F667-V693 HydrophobicContact CE1-CG2 4.3Å; F668-V693 PolarHBondContact N-O 2.62Å; V693-I712 HydrophobicContact CG1-CD1 4Å; V693-I712 HydrophobicContact CG1-CG1 4.09Å; V693-Y737 HydrophobicContact CG2-CD2 4.25Å; V693-Y737 HydrophobicContact CG2-CE2 3.64Å; V693-Y740 HydrophobicContact CG1-CD1 3.76Å; V693-Y740 HydrophobicContact CG1-CE1 4.34Å; V693-Y740 HydrophobicContact CG1-CG 3.95Å; V693-Y740 HydrophobicContact CG2-CG 4.17Å; V693-F741 HydrophobicContact CG2-CE1 4.38Å; V693-F741 HydrophobicContact CG2-CE2 3.61Å; V693-F741 HydrophobicContact CG2-CZ 3.49Å; V693-F741 VanDerWaalsContact CG2-CZ 3.49Å
694	P	98.1	Very high	93	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	135.8	174.4	16.1	-19.4	0	0	0	111.9	F668 A670 L684 S687 L688 V692 V696 L706 S710 F711 I712	F668-P694 WeakPolarHBondContact O-CA 3.41Å; A670-P694 HydrophobicContact CB-CB 4.25Å; L684-P694 HydrophobicContact CD1-CB 3.94Å; L684-P694 HydrophobicContact CD1-CG 4.31Å; S687-P694 VanDerWaalsContact OG-CB 3.22Å; S687-P694 WeakPolarHBondContact OG-CB 3.31Å; S687-P694 WeakPolarHBondContact OG-CG 3.33Å; L688-P694 HydrophobicContact CD2-CG 3.72Å; L688-P694 HydrophobicContact CG-CG 4.31Å; V692-P694 VanDerWaalsContact O-CD 3.22Å; V692-P694 WeakPolarHBondContact O-CD 3.22Å; P694-V696 HydrophobicContact CB-CG1 4.34Å; P694-L706 HydrophobicContact CG-CD1 4.41Å; P694-S710 WeakPolarHBondContact CD-O 3.21Å; P694-F711 HydrophobicContact CB-CB 4.37Å; P694-F711 HydrophobicContact CG-CB 3.75Å; P694-I712 PolarHBondContact O-N 2.77Å
695	V	98.5	Very high	92.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.1	164	-173.3	0	0	0	0	107.9	F667 F668 L669 A670 F671 I712 I714 L723 L727	F667-V695 HydrophobicContact CB-CG2 4.15Å; F667-V695 HydrophobicContact CD1-CG2 4.37Å; F668-V695 PolarHBondContact O-N 2.91Å; L669-V695 CarbonylContact C-O 3.47Å; L669-V695 HydrophobicContact CD2-CB 3.6Å; L669-V695 HydrophobicContact CD2-CG1 3.89Å; L669-V695 HydrophobicContact CD2-CG2 4.04Å; A670-V695 PolarHBondContact N-O 3.19Å; F671-V695 WeakPolarHBondContact CD1-O 3.34Å; F671-V695 HydrophobicContact CE1-CG1 4.17Å; F671-V695 WeakPolarHBondContact CE1-O 3.4Å; F671-V695 HydrophobicContact CZ-CG1 4.5Å; V695-I712 CarbonylContact C-O 3.53Å; V695-I712 VanDerWaalsContact CA-O 3.24Å; V695-I712 WeakPolarHBondContact CA-O 3.12Å; V695-I712 HydrophobicContact CG1-CG2 4.47Å; V695-I712 HydrophobicContact CG2-CB 4.34Å; V695-I714 HydrophobicContact CG1-CG2 3.96Å; V695-L723 HydrophobicContact CG1-CD1 4.38Å; V695-L723 HydrophobicContact CG1-CD2 4.12Å; V695-L727 HydrophobicContact CG2-CD2 4.31Å
696	V	97.5	Very high	92.8	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.042	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	159	-172.4	-56.2	0	0	0	0	112.1	A670 L684 P694 A702 F711 I712 A713 I714	A670-V696 HydrophobicContact CB-CG1 4.4Å; L684-V696 HydrophobicContact CD1-CG1 3.39Å; P694-V696 HydrophobicContact CB-CG1 4.34Å; V696-A702 HydrophobicContact CB-CB 4.19Å; V696-A702 HydrophobicContact CG1-CB 4.07Å; V696-A702 HydrophobicContact CG2-CB 3.75Å; V696-F711 HydrophobicContact CG1-CD2 4.45Å; V696-F711 HydrophobicContact CG2-CD2 3.67Å; V696-F711 HydrophobicContact CG2-CE2 3.9Å; V696-I712 PolarHBondContact N-O 3.06Å; V696-A713 HydrophobicContact CG2-CB 3.7Å; V696-A713 WeakPolarHBondContact O-CA 3.33Å; V696-I714 WeakPolarHBondContact O-CG2 3.26Å; V696-I714 PolarHBondContact O-N 2.84Å
697	L	93.6	Very high	93	Very high	7 Å²	7	21.3 Å²	21.3	4%	0.037	12%	0.122	C	C	.	.	S	Bend	trans	-68.8	-41.2	178	-70.6	175.2	0	0	0	112.9	R625 F671 V675 I714 Y798	R625-L697 HydrophobicContact CB-CD1 4.34Å; F671-L697 HydrophobicContact CB-CD1 4.18Å; F671-L697 HydrophobicContact CB-CD2 4.27Å; F671-L697 HydrophobicContact CB-CG 3.98Å; F671-L697 HydrophobicContact CD1-CD2 3.79Å; F671-L697 HydrophobicContact CD1-CG 3.74Å; F671-L697 HydrophobicContact CD2-CD2 3.79Å; F671-L697 HydrophobicContact CD2-CG 4.39Å; F671-L697 HydrophobicContact CE1-CD2 3.99Å; F671-L697 HydrophobicContact CE1-CG 4.3Å; F671-L697 HydrophobicContact CE2-CD2 3.98Å; F671-L697 HydrophobicContact CG-CD1 4.46Å; F671-L697 HydrophobicContact CG-CD2 3.69Å; F671-L697 HydrophobicContact CG-CG 3.78Å; F671-L697 HydrophobicContact CZ-CD2 4.08Å; V675-L697 HydrophobicContact CG2-CB 4.17Å; V675-L697 HydrophobicContact CG2-CD1 3.7Å; L697-I714 HydrophobicContact CD2-CD1 3.63Å; L697-I714 WeakPolarHBondContact O-CG1 3.03Å; L697-Y798 HydrophobicContact CB-CD1 4.21Å; L697-Y798 HydrophobicContact CB-CE1 4.45Å; L697-Y798 WeakPolarHBondContact O-CE1 3.36Å
698	S	93.7	Very high	92.8	Very high	5 Å²	5	28.4 Å²	28.4	4%	0.035	16%	0.159	C	C	.	.			trans	-138.4	131	-179.6	-177.1	0	0	0	0	113.6	S700 I701 A702 D715 Y798	S698-S700 PolarHBondContact OG-N 3.01Å; S698-S700 PolarHBondContact OG-OG 3.46Å; S698-I701 PolarHBondContact O-N 3.21Å; S698-A702 PolarHBondContact O-N 3.2Å; S698-A702 VanDerWaalsContact O-N 3.11Å; S698-D715 WeakPolarHBondContact CA-OD2 3.47Å; S698-D715 WeakPolarHBondContact CB-OD2 3.42Å; S698-D715 PolarHBondContact OG-OD2 2.93Å; S698-Y798 PolarHBondContact OG-OH 3.35Å
699	R	93	Very high	92.8	Very high	75 Å²	75	30.3 Å²	30.3	28%	0.283	18%	0.18	S	C	.	.	H	α-helix	trans	-60.2	-45.9	173.3	179.8	161.7	-68.3	-71.4	-5.1	111.7	I701 A702 A703 F711 A713 D715 D716	R699-I701 PolarHBondContact O-N 3.17Å; R699-A702 PolarHBondContact O-N 2.76Å; R699-A703 HydrophobicContact CG-CB 4.35Å; R699-A703 WeakPolarHBondContact O-CB 3.43Å; R699-A703 PolarHBondContact O-N 2.85Å; R699-F711 HydrophobicContact CG-CE2 4.39Å; R699-F711 HydrophobicContact CG-CZ 4.29Å; R699-A713 HydrophobicContact CB-CB 3.61Å; R699-D715 PolarHBondContact N-OD1 3.04Å; R699-D715 PolarHBondContact N-OD2 2.96Å; R699-D715 VanDerWaalsContact N-OD2 3.13Å; R699-D716 WeakPolarHBondContact CD-OD1 3.4Å; R699-D716 IonicContact CZ-OD1 2.88Å; R699-D716 IonicContact CZ-OD2 2.84Å; R699-D716 VanDerWaalsContact NE-CG 3.26Å; R699-D716 IonicContact NE-OD1 3.63Å; R699-D716 PolarHBondContact NE-OD1 3.2Å; R699-D716 IonicContact NE-OD2 3.86Å; R699-D716 PolarHBondContact NE-OD2 2.72Å; R699-D716 IonicContact NH2-OD1 2.75Å; R699-D716 IonicContact NH2-OD2 3.98Å; R699-D716 PolarHBondContact NH2-OD2 3.21Å
700	S	88.5	Confident	93.1	Very high	85 Å²	85	27.2 Å²	27.2	59%	0.594	16%	0.164	S	C	*	.	H	α-helix	trans	-60.9	-29.3	-177.2	68.8	0	0	0	0	113.2	S698	S698-S700 PolarHBondContact OG-N 3.01Å; S698-S700 PolarHBondContact OG-OG 3.46Å
701	I	91.8	Very high	93.4	Very high	30 Å²	30	25.9 Å²	25.9	15%	0.154	16%	0.158	C	C	.	.	H	α-helix	trans	-83.4	-43.2	177.1	-60.1	-52.2	0	0	0	111.5	V675 C676 V680 S698 R699 P704 F705	V675-I701 HydrophobicContact CG1-CG1 3.95Å; C676-I701 WeakPolarHBondContact O-CD1 3.11Å; V680-I701 HydrophobicContact CG1-CG2 3.98Å; S698-I701 PolarHBondContact O-N 3.21Å; R699-I701 PolarHBondContact O-N 3.17Å; I701-P704 WeakPolarHBondContact O-CD 3.33Å; I701-F705 WeakPolarHBondContact O-CD2 3.38Å; I701-F705 WeakPolarHBondContact O-CE2 3.19Å
702	A	93.4	Very high	93.9	Very high	3 Å²	3	25.1 Å²	25.1	3%	0.025	15%	0.154	C	C	.	.	H	α-helix	trans	-83.7	-34.1	-174.7	0	0	0	0	0	114.4	L684 V696 S698 R699 P704 F705 L706 F711	L684-A702 HydrophobicContact CD2-CB 4.42Å; V696-A702 HydrophobicContact CB-CB 4.19Å; V696-A702 HydrophobicContact CG1-CB 4.07Å; V696-A702 HydrophobicContact CG2-CB 3.75Å; S698-A702 PolarHBondContact O-N 3.2Å; S698-A702 VanDerWaalsContact O-N 3.11Å; R699-A702 PolarHBondContact O-N 2.76Å; A702-P704 VanDerWaalsContact C-N 3.33Å; A702-F705 PolarHBondContact O-N 3.28Å; A702-L706 PolarHBondContact O-N 3.46Å; A702-F711 HydrophobicContact CB-CD2 4.25Å; A702-F711 HydrophobicContact CB-CE2 3.91Å; A702-F711 HydrophobicContact CB-CZ 4.24Å
703	A	92.9	Very high	94	Very high	32 Å²	32	25.1 Å²	25.1	26%	0.264	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-53.7	-38.5	-174.5	0	0	0	0	0	114.5	R699 F705 L706 F711	R699-A703 HydrophobicContact CG-CB 4.35Å; R699-A703 WeakPolarHBondContact O-CB 3.43Å; R699-A703 PolarHBondContact O-N 2.85Å; A703-F705 PolarHBondContact O-N 2.92Å; A703-L706 PolarHBondContact O-N 3.5Å; A703-F711 HydrophobicContact CB-CE1 4.38Å; A703-F711 HydrophobicContact CB-CZ 3.87Å
704	P	92.7	Very high	93.9	Very high	53 Å²	53	25 Å²	25	34%	0.344	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-67.2	-14.9	179	-21.1	34.1	0	0	0	115.1	I701 A702	I701-P704 WeakPolarHBondContact O-CD 3.33Å; A702-P704 VanDerWaalsContact C-N 3.33Å
705	F	92.9	Very high	93.5	Very high	5 Å²	5	27.1 Å²	27.1	2%	0.022	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-103.9	-14.4	-177	-56.8	-75	0	0	0	113.1	R574 Y579 W584 D678 V680 F685 I701 A702 A703	R574-F705 HydrophobicContact CG-CE1 4.22Å; R574-F705 HydrophobicContact CG-CZ 4.48Å; Y579-F705 WeakPolarHBondContact OH-CE1 3.33Å; W584-F705 HydrophobicContact CE3-CD1 4.06Å; W584-F705 HydrophobicContact CH2-CD1 4.44Å; W584-F705 AromaticContact CZ3-CD1 3.54Å; W584-F705 HydrophobicContact CZ3-CD1 3.54Å; W584-F705 AromaticContact CZ3-CE1 3.94Å; W584-F705 HydrophobicContact CZ3-CE1 3.94Å; D678-F705 HydrophobicContact CB-CZ 3.99Å; D678-F705 WeakPolarHBondContact O-CZ 3.44Å; V680-F705 HydrophobicContact CB-CD2 4.3Å; V680-F705 HydrophobicContact CG1-CD2 3.69Å; V680-F705 HydrophobicContact CG1-CE2 3.92Å; V680-F705 HydrophobicContact CG1-CG 4.47Å; V680-F705 HydrophobicContact CG2-CB 4.31Å; V680-F705 HydrophobicContact CG2-CD1 3.9Å; V680-F705 HydrophobicContact CG2-CD2 3.57Å; V680-F705 HydrophobicContact CG2-CE1 4.15Å; V680-F705 HydrophobicContact CG2-CE2 3.8Å; V680-F705 HydrophobicContact CG2-CG 3.62Å; V680-F705 HydrophobicContact CG2-CZ 4.1Å; F685-F705 HydrophobicContact CE1-CB 4.45Å; F685-F705 HydrophobicContact CZ-CB 4.23Å; I701-F705 WeakPolarHBondContact O-CD2 3.38Å; I701-F705 WeakPolarHBondContact O-CE2 3.19Å; A702-F705 PolarHBondContact O-N 3.28Å; A703-F705 PolarHBondContact O-N 2.92Å
706	L	92.9	Very high	92.9	Very high	10 Å²	10	30.8 Å²	30.8	5%	0.052	19%	0.185	C	C	.	.	S	Bend	trans	-126.9	142.6	-168.4	-66.4	-166	0	0	0	111.5	V585 L684 F685 L688 P694 A702 A703 F711	V585-L706 HydrophobicContact CG2-CD2 3.78Å; L684-L706 HydrophobicContact CD1-CD1 3.64Å; L684-L706 HydrophobicContact CD2-CD1 3.95Å; L684-L706 HydrophobicContact CD2-CD2 4.18Å; L684-L706 HydrophobicContact CD2-CG 3.98Å; L684-L706 HydrophobicContact CG-CD1 3.91Å; L684-L706 HydrophobicContact CG-CD2 4.25Å; L684-L706 HydrophobicContact CG-CG 4.32Å; F685-L706 HydrophobicContact CE1-CD2 4.33Å; L688-L706 HydrophobicContact CD1-CD2 3.42Å; L688-L706 VanDerWaalsContact CD1-CD2 3.42Å; P694-L706 HydrophobicContact CG-CD1 4.41Å; A702-L706 PolarHBondContact O-N 3.46Å; A703-L706 PolarHBondContact O-N 3.5Å; L706-F711 HydrophobicContact CB-CD1 3.73Å; L706-F711 HydrophobicContact CB-CE1 3.96Å; L706-F711 HydrophobicContact CD1-CB 3.73Å; L706-F711 HydrophobicContact CD1-CD1 3.64Å; L706-F711 HydrophobicContact CD1-CE1 4.41Å; L706-F711 HydrophobicContact CD1-CG 3.74Å; L706-F711 HydrophobicContact CG-CD1 4.33Å
707	P	91.5	Very high	92.5	Very high	22 Å²	22	32 Å²	32	14%	0.143	19%	0.189	C	C	.	.			trans	-57.4	144	171.5	-25.1	35.8	0	0	0	112	V585 G709 S710 W743 H747	V585-P707 HydrophobicContact CB-CG 4.46Å; V585-P707 HydrophobicContact CG1-CG 3.65Å; P707-G709 PolarHBondContact O-N 3.46Å; P707-S710 WeakPolarHBondContact O-CB 3.12Å; P707-S710 PolarHBondContact O-N 2.94Å; P707-S710 VanDerWaalsContact O-N 3.1Å; P707-S710 PolarHBondContact O-OG 3.09Å; P707-W743 HydrophobicContact CB-CB 3.61Å; P707-W743 HydrophobicContact CB-CG 4.35Å; P707-W743 HydrophobicContact CG-CB 3.83Å; P707-W743 HydrophobicContact CG-CD2 4.48Å; P707-W743 HydrophobicContact CG-CE3 4.32Å; P707-W743 HydrophobicContact CG-CG 4.3Å; P707-H747 HydrophobicContact CG-CB 4.46Å
708	N	87.3	Confident	91.4	Very high	148 Å²	148	34.3 Å²	34.3	79%	0.791	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	133.1	175.1	-79.1	-23	0	0	0	110.8	S710	N708-S710 VanDerWaalsContact C-N 3.35Å
709	G	90.6	Very high	90.7	Very high	42 Å²	42	35.9 Å²	35.9	43%	0.433	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.5	7.8	-178.6	0	0	0	0	0	115.1	P707 Y740	P707-G709 PolarHBondContact O-N 3.46Å; G709-Y740 WeakPolarHBondContact O-CA 3.47Å; G709-Y740 WeakPolarHBondContact O-CD1 3.34Å
710	S	95.1	Very high	90.3	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.207	C	C	.	.	S	Bend	trans	-90.8	-3.8	176.1	76.8	0	0	0	0	114.6	P694 P707 N708	P694-S710 WeakPolarHBondContact CD-O 3.21Å; P707-S710 WeakPolarHBondContact O-CB 3.12Å; P707-S710 PolarHBondContact O-N 2.94Å; P707-S710 VanDerWaalsContact O-N 3.1Å; P707-S710 PolarHBondContact O-OG 3.09Å; N708-S710 VanDerWaalsContact C-N 3.35Å
711	F	97.8	Very high	90.1	Very high	1 Å²	1	34 Å²	34	0%	0.004	20%	0.203	C	C	.	.			trans	-153.1	160.1	-173.1	73.4	-82.7	0	0	0	112.5	P694 V696 R699 A702 A703 L706 A713	P694-F711 HydrophobicContact CB-CB 4.37Å; P694-F711 HydrophobicContact CG-CB 3.75Å; V696-F711 HydrophobicContact CG1-CD2 4.45Å; V696-F711 HydrophobicContact CG2-CD2 3.67Å; V696-F711 HydrophobicContact CG2-CE2 3.9Å; R699-F711 HydrophobicContact CG-CE2 4.39Å; R699-F711 HydrophobicContact CG-CZ 4.29Å; A702-F711 HydrophobicContact CB-CD2 4.25Å; A702-F711 HydrophobicContact CB-CE2 3.91Å; A702-F711 HydrophobicContact CB-CZ 4.24Å; A703-F711 HydrophobicContact CB-CE1 4.38Å; A703-F711 HydrophobicContact CB-CZ 3.87Å; L706-F711 HydrophobicContact CB-CD1 3.73Å; L706-F711 HydrophobicContact CB-CE1 3.96Å; L706-F711 HydrophobicContact CD1-CB 3.73Å; L706-F711 HydrophobicContact CD1-CD1 3.64Å; L706-F711 HydrophobicContact CD1-CE1 4.41Å; L706-F711 HydrophobicContact CD1-CG 3.74Å; L706-F711 HydrophobicContact CG-CD1 4.33Å; F711-A713 HydrophobicContact CE2-CB 4.19Å
712	I	98.3	Very high	89.8	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	135.3	177.1	-59.5	170.9	0	0	0	108	F667 V693 P694 V695 V696 F717 L723 Y726 L727 L730 Y740	F667-I712 HydrophobicContact CD1-CD1 4.04Å; F667-I712 HydrophobicContact CE1-CD1 3.76Å; V693-I712 HydrophobicContact CG1-CD1 4Å; V693-I712 HydrophobicContact CG1-CG1 4.09Å; P694-I712 PolarHBondContact O-N 2.77Å; V695-I712 CarbonylContact C-O 3.53Å; V695-I712 VanDerWaalsContact CA-O 3.24Å; V695-I712 WeakPolarHBondContact CA-O 3.12Å; V695-I712 HydrophobicContact CG1-CG2 4.47Å; V695-I712 HydrophobicContact CG2-CB 4.34Å; V696-I712 PolarHBondContact N-O 3.06Å; I712-F717 HydrophobicContact CG2-CE2 3.65Å; I712-F717 HydrophobicContact CG2-CZ 4.11Å; I712-L723 HydrophobicContact CG2-CD1 3.75Å; I712-Y726 HydrophobicContact CD1-CD1 4.32Å; I712-Y726 HydrophobicContact CD1-CE1 3.97Å; I712-Y726 HydrophobicContact CG1-CE1 4.29Å; I712-L727 HydrophobicContact CD1-CD2 3.69Å; I712-L730 HydrophobicContact CD1-CD1 3.69Å; I712-Y740 HydrophobicContact CD1-CE1 4.32Å; I712-Y740 HydrophobicContact CD1-CE2 4.48Å; I712-Y740 HydrophobicContact CG1-CD1 4.42Å; I712-Y740 HydrophobicContact CG1-CE1 3.58Å
713	A	96.8	Very high	89.9	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	140.4	175	0	0	0	0	0	110.6	V696 R699 F711 D715 D716 F717	V696-A713 HydrophobicContact CG2-CB 3.7Å; V696-A713 WeakPolarHBondContact O-CA 3.33Å; R699-A713 HydrophobicContact CB-CB 3.61Å; F711-A713 HydrophobicContact CE2-CB 4.19Å; A713-D715 WeakPolarHBondContact CB-OD1 3.21Å; A713-D715 PolarHBondContact O-N 3.39Å; A713-D716 PolarHBondContact N-OD2 3.07Å; A713-D716 WeakPolarHBondContact O-CB 3.47Å; A713-D716 PolarHBondContact O-N 2.95Å; A713-F717 VanDerWaalsContact O-CD2 3.32Å; A713-F717 WeakPolarHBondContact O-CD2 3.4Å; A713-F717 WeakPolarHBondContact O-CE2 3.34Å
714	I	94.2	Very high	90	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-68.5	-24.8	-178.2	70.3	169.1	0	0	0	112.5	Y628 F671 V695 V696 L697 D716 F717 L723 F802	Y628-I714 HydrophobicContact CD1-CD1 3.95Å; Y628-I714 HydrophobicContact CD1-CG2 4.23Å; Y628-I714 HydrophobicContact CD2-CD1 3.86Å; Y628-I714 HydrophobicContact CE1-CB 3.88Å; Y628-I714 HydrophobicContact CE1-CD1 3.96Å; Y628-I714 HydrophobicContact CE1-CG2 3.53Å; Y628-I714 HydrophobicContact CE2-CB 4.37Å; Y628-I714 HydrophobicContact CE2-CD1 3.87Å; Y628-I714 HydrophobicContact CG-CD1 3.89Å; F671-I714 HydrophobicContact CE1-CG2 3.86Å; F671-I714 HydrophobicContact CZ-CG2 3.67Å; V695-I714 HydrophobicContact CG1-CG2 3.96Å; V696-I714 WeakPolarHBondContact O-CG2 3.26Å; V696-I714 PolarHBondContact O-N 2.84Å; L697-I714 HydrophobicContact CD2-CD1 3.63Å; L697-I714 WeakPolarHBondContact O-CG1 3.03Å; I714-D716 PolarHBondContact O-N 3.22Å; I714-F717 PolarHBondContact O-N 3.27Å; I714-F717 VanDerWaalsContact O-N 3.14Å; I714-L723 HydrophobicContact CB-CD2 4.37Å; I714-L723 HydrophobicContact CG2-CD2 3.69Å; I714-F802 HydrophobicContact CD1-CD2 4.03Å; I714-F802 HydrophobicContact CD1-CE2 4.28Å; I714-F802 HydrophobicContact CG1-CE2 4.48Å
715	D	89.7	Confident	90	Very high	44 Å²	44	36.3 Å²	36.3	24%	0.235	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-76.9	-3.5	179.6	58.3	-12.1	0	0	0	113.8	S698 R699 A713 F717 Y798 F802	S698-D715 WeakPolarHBondContact CA-OD2 3.47Å; S698-D715 WeakPolarHBondContact CB-OD2 3.42Å; S698-D715 PolarHBondContact OG-OD2 2.93Å; R699-D715 PolarHBondContact N-OD1 3.04Å; R699-D715 PolarHBondContact N-OD2 2.96Å; R699-D715 VanDerWaalsContact N-OD2 3.13Å; A713-D715 WeakPolarHBondContact CB-OD1 3.21Å; A713-D715 PolarHBondContact O-N 3.39Å; D715-F717 VanDerWaalsContact C-N 3.26Å; D715-Y798 WeakPolarHBondContact CB-OH 3.26Å; D715-Y798 PolarHBondContact OD2-OH 3.41Å; D715-F802 HydrophobicContact CB-CE1 3.89Å; D715-F802 HydrophobicContact CB-CE2 4.49Å; D715-F802 HydrophobicContact CB-CZ 3.51Å
716	D	87.8	Confident	90.2	Very high	77 Å²	77	38.5 Å²	38.5	41%	0.412	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-78.2	-12.1	166	-57.1	-37.9	0	0	0	112.8	R699 A713 I714	R699-D716 WeakPolarHBondContact CD-OD1 3.4Å; R699-D716 IonicContact CZ-OD1 2.88Å; R699-D716 IonicContact CZ-OD2 2.84Å; R699-D716 VanDerWaalsContact NE-CG 3.26Å; R699-D716 IonicContact NE-OD1 3.63Å; R699-D716 PolarHBondContact NE-OD1 3.2Å; R699-D716 IonicContact NE-OD2 3.86Å; R699-D716 PolarHBondContact NE-OD2 2.72Å; R699-D716 IonicContact NH2-OD1 2.75Å; R699-D716 IonicContact NH2-OD2 3.98Å; R699-D716 PolarHBondContact NH2-OD2 3.21Å; A713-D716 PolarHBondContact N-OD2 3.07Å; A713-D716 WeakPolarHBondContact O-CB 3.47Å; A713-D716 PolarHBondContact O-N 2.95Å; I714-D716 PolarHBondContact O-N 3.22Å
717	F	87.4	Confident	90.4	Very high	31 Å²	31	38 Å²	38	14%	0.136	21%	0.211	C	C	.	.	S	Bend	trans	-117	143.3	-175.8	-55.6	-87.9	0	0	0	110.4	I712 A713 I714 D715 T719 E722 L723 Y726	I712-F717 HydrophobicContact CG2-CE2 3.65Å; I712-F717 HydrophobicContact CG2-CZ 4.11Å; A713-F717 VanDerWaalsContact O-CD2 3.32Å; A713-F717 WeakPolarHBondContact O-CD2 3.4Å; A713-F717 WeakPolarHBondContact O-CE2 3.34Å; I714-F717 PolarHBondContact O-N 3.27Å; I714-F717 VanDerWaalsContact O-N 3.14Å; D715-F717 VanDerWaalsContact C-N 3.26Å; F717-T719 VanDerWaalsContact C-N 3.32Å; F717-E722 HydrophobicContact CB-CB 4.14Å; F717-E722 HydrophobicContact CD1-CB 4.07Å; F717-L723 HydrophobicContact CB-CB 4.31Å; F717-L723 HydrophobicContact CD1-CB 4.42Å; F717-L723 HydrophobicContact CD2-CB 4.03Å; F717-L723 HydrophobicContact CD2-CD1 3.79Å; F717-L723 HydrophobicContact CD2-CG 4.44Å; F717-L723 HydrophobicContact CE2-CD1 3.52Å; F717-L723 HydrophobicContact CG-CB 3.98Å; F717-L723 HydrophobicContact CG-CD1 4.48Å; F717-L723 HydrophobicContact CZ-CD1 4Å; F717-Y726 AromaticContact CE1-CD1 3.95Å; F717-Y726 HydrophobicContact CE1-CD1 3.95Å; F717-Y726 HydrophobicContact CE1-CD2 4.34Å; F717-Y726 AromaticContact CE1-CG 3.69Å; F717-Y726 HydrophobicContact CE1-CG 3.69Å; F717-Y726 AromaticContact CZ-CD1 3.47Å; F717-Y726 HydrophobicContact CZ-CD1 3.47Å; F717-Y726 VanDerWaalsContact CZ-CD1 3.47Å; F717-Y726 HydrophobicContact CZ-CE1 4.08Å; F717-Y726 AromaticContact CZ-CG 3.74Å; F717-Y726 HydrophobicContact CZ-CG 3.74Å
718	A	71.6	Confident	90.6	Very high	56 Å²	56	41.7 Å²	41.7	46%	0.463	22%	0.222	S	C	.	.	S	Bend	trans	-72.6	-29.3	178.4	0	0	0	0	0	112	E722	A718-E722 WeakPolarHBondContact CB-OE2 3.39Å; A718-E722 PolarHBondContact N-OE2 2.98Å
719	T	79	Confident	91.1	Very high	38 Å²	38	39 Å²	39	23%	0.233	21%	0.205	C	C	.	.	S	Bend	trans	-143.1	159.4	-177.2	66.8	0	0	0	0	112.6	F717 K721 E722 L723 V804	F717-T719 VanDerWaalsContact C-N 3.32Å; T719-K721 PolarHBondContact O-N 3.03Å; T719-K721 PolarHBondContact OG1-N 3.22Å; T719-E722 PolarHBondContact O-N 3.34Å; T719-E722 PolarHBondContact OG1-N 3.18Å; T719-L723 PolarHBondContact O-N 3.38Å; T719-V804 HydrophobicContact CG2-CG2 4.34Å
720	A	83.8	Confident	91.3	Very high	5 Å²	5	37 Å²	37	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-59.3	-28.5	171.3	0	0	0	0	0	112.9	Y628 A631 L632 A724	Y628-A720 HydrophobicContact CE1-CB 4.38Å; Y628-A720 HydrophobicContact CE2-CB 4.03Å; Y628-A720 WeakPolarHBondContact OH-CA 3.44Å; A631-A720 HydrophobicContact CB-CB 3.97Å; L632-A720 HydrophobicContact CB-CB 4.32Å; L632-A720 HydrophobicContact CD1-CB 4.4Å; L632-A720 VanDerWaalsContact CD1-O 3.3Å; L632-A720 WeakPolarHBondContact CD1-O 3.38Å; A720-A724 WeakPolarHBondContact O-CB 3.49Å; A720-A724 PolarHBondContact O-N 3.16Å
721	K	85.1	Confident	91.2	Very high	116 Å²	116	39.9 Å²	39.9	50%	0.504	20%	0.2	S	C	.	.	H	α-helix	trans	-64.9	-44.3	174.7	-172.3	177.4	175	-178.9	0	112.1	H635 T719 A724 L725	H635-K721 WeakPolarHBondContact CD2-CA 3.17Å; H635-K721 PolarHBondContact CD2-N 3.37Å; T719-K721 PolarHBondContact O-N 3.03Å; T719-K721 PolarHBondContact OG1-N 3.22Å; K721-A724 WeakPolarHBondContact O-CB 3.44Å; K721-A724 PolarHBondContact O-N 2.93Å; K721-L725 HydrophobicContact CG-CD1 4.44Å; K721-L725 WeakPolarHBondContact O-CG 3.26Å; K721-L725 PolarHBondContact O-N 2.92Å
722	E	85.9	Confident	91	Very high	74 Å²	74	49.9 Å²	49.9	35%	0.346	24%	0.237	S	C	.	.	H	α-helix	trans	-64	-42.6	178	-74.5	175	-171.5	0	0	111.5	F717 A718 T719 A724 L725 Y726	F717-E722 HydrophobicContact CB-CB 4.14Å; F717-E722 HydrophobicContact CD1-CB 4.07Å; A718-E722 WeakPolarHBondContact CB-OE2 3.39Å; A718-E722 PolarHBondContact N-OE2 2.98Å; T719-E722 PolarHBondContact O-N 3.34Å; T719-E722 PolarHBondContact OG1-N 3.18Å; E722-A724 PolarHBondContact O-N 3.22Å; E722-L725 PolarHBondContact O-N 3.23Å; E722-Y726 WeakPolarHBondContact O-CB 3.38Å; E722-Y726 PolarHBondContact O-N 3.38Å
723	L	95.3	Very high	90.7	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-48.5	171.9	175.4	64	0	0	0	111	Y628 L632 V695 I712 I714 F717 T719 L725 Y726 L727	Y628-L723 HydrophobicContact CE1-CD2 3.82Å; Y628-L723 WeakPolarHBondContact OH-CD2 3.33Å; L632-L723 HydrophobicContact CD1-CB 4.41Å; L632-L723 HydrophobicContact CD1-CD2 4.05Å; L632-L723 HydrophobicContact CD1-CG 4.21Å; L632-L723 HydrophobicContact CD2-CD2 4.09Å; V695-L723 HydrophobicContact CG1-CD1 4.38Å; V695-L723 HydrophobicContact CG1-CD2 4.12Å; I712-L723 HydrophobicContact CG2-CD1 3.75Å; I714-L723 HydrophobicContact CB-CD2 4.37Å; I714-L723 HydrophobicContact CG2-CD2 3.69Å; F717-L723 HydrophobicContact CB-CB 4.31Å; F717-L723 HydrophobicContact CD1-CB 4.42Å; F717-L723 HydrophobicContact CD2-CB 4.03Å; F717-L723 HydrophobicContact CD2-CD1 3.79Å; F717-L723 HydrophobicContact CD2-CG 4.44Å; F717-L723 HydrophobicContact CE2-CD1 3.52Å; F717-L723 HydrophobicContact CG-CB 3.98Å; F717-L723 HydrophobicContact CG-CD1 4.48Å; F717-L723 HydrophobicContact CZ-CD1 4Å; T719-L723 PolarHBondContact O-N 3.38Å; L723-L725 VanDerWaalsContact C-N 3.31Å; L723-L725 PolarHBondContact O-N 3.43Å; L723-Y726 WeakPolarHBondContact O-CB 3.48Å; L723-Y726 PolarHBondContact O-N 2.77Å; L723-Y726 VanDerWaalsContact O-N 3.11Å; L723-L727 HydrophobicContact CD1-CD1 4.39Å; L723-L727 HydrophobicContact CD1-CD2 4.23Å; L723-L727 HydrophobicContact CD1-CG 4.1Å; L723-L727 HydrophobicContact CG-CD1 4.27Å; L723-L727 HydrophobicContact CG-CG 4.34Å; L723-L727 WeakPolarHBondContact O-CG 3.43Å; L723-L727 PolarHBondContact O-N 2.81Å
724	A	94.5	Very high	90.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.3	-41.2	178.3	0	0	0	0	0	113	L632 H635 V636 A720 K721 E722 L727 R728	L632-A724 HydrophobicContact CD1-CB 3.91Å; H635-A724 HydrophobicContact CB-CB 3.41Å; H635-A724 VanDerWaalsContact CB-CB 3.41Å; V636-A724 HydrophobicContact CB-CB 3.92Å; V636-A724 HydrophobicContact CG1-CB 3.9Å; A720-A724 WeakPolarHBondContact O-CB 3.49Å; A720-A724 PolarHBondContact O-N 3.16Å; K721-A724 WeakPolarHBondContact O-CB 3.44Å; K721-A724 PolarHBondContact O-N 2.93Å; E722-A724 PolarHBondContact O-N 3.22Å; A724-L727 PolarHBondContact O-N 2.77Å; A724-R728 WeakPolarHBondContact O-CG 3.37Å; A724-R728 PolarHBondContact O-N 3.13Å
725	L	92.3	Very high	90.2	Very high	93 Å²	93	58.7 Å²	58.7	49%	0.487	28%	0.281	S	S	.	.	H	α-helix	trans	-63.9	-41.8	175.2	-71.6	171.9	0	0	0	111.4	K721 E722 L723 R728 Q729	K721-L725 HydrophobicContact CG-CD1 4.44Å; K721-L725 WeakPolarHBondContact O-CG 3.26Å; K721-L725 PolarHBondContact O-N 2.92Å; E722-L725 PolarHBondContact O-N 3.23Å; L723-L725 VanDerWaalsContact C-N 3.31Å; L723-L725 PolarHBondContact O-N 3.43Å; L725-R728 PolarHBondContact O-N 2.84Å; L725-Q729 PolarHBondContact O-N 3.04Å
726	Y	97.6	Very high	90.4	Very high	50 Å²	50	59.7 Å²	59.7	20%	0.196	28%	0.283	C	S	.	.	H	α-helix	trans	-64.6	-43.1	176.6	-174.7	-108.5	0	0	0	112.4	I712 F717 E722 L723 R728 Q729 L730 Y740	I712-Y726 HydrophobicContact CD1-CD1 4.32Å; I712-Y726 HydrophobicContact CD1-CE1 3.97Å; I712-Y726 HydrophobicContact CG1-CE1 4.29Å; F717-Y726 AromaticContact CE1-CD1 3.95Å; F717-Y726 HydrophobicContact CE1-CD1 3.95Å; F717-Y726 HydrophobicContact CE1-CD2 4.34Å; F717-Y726 AromaticContact CE1-CG 3.69Å; F717-Y726 HydrophobicContact CE1-CG 3.69Å; F717-Y726 AromaticContact CZ-CD1 3.47Å; F717-Y726 HydrophobicContact CZ-CD1 3.47Å; F717-Y726 VanDerWaalsContact CZ-CD1 3.47Å; F717-Y726 HydrophobicContact CZ-CE1 4.08Å; F717-Y726 AromaticContact CZ-CG 3.74Å; F717-Y726 HydrophobicContact CZ-CG 3.74Å; E722-Y726 WeakPolarHBondContact O-CB 3.38Å; E722-Y726 PolarHBondContact O-N 3.38Å; L723-Y726 WeakPolarHBondContact O-CB 3.48Å; L723-Y726 PolarHBondContact O-N 2.77Å; L723-Y726 VanDerWaalsContact O-N 3.11Å; Y726-R728 VanDerWaalsContact C-N 3.33Å; Y726-R728 PolarHBondContact O-N 2.84Å; Y726-Q729 WeakPolarHBondContact O-CB 3.19Å; Y726-Q729 PolarHBondContact O-N 3.03Å; Y726-Q729 VanDerWaalsContact O-N 3.13Å; Y726-L730 HydrophobicContact CD1-CD1 4.02Å; Y726-L730 HydrophobicContact CD1-CG 4.43Å; Y726-L730 HydrophobicContact CE1-CD1 3.53Å; Y726-L730 HydrophobicContact CE1-CG 4.08Å; Y726-L730 WeakPolarHBondContact O-CG 3.49Å; Y726-L730 PolarHBondContact O-N 2.75Å; Y726-Y740 WeakPolarHBondContact CE1-OH 3.5Å; Y726-Y740 PolarHBondContact OH-OH 3.22Å
727	L	97.9	Very high	90.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.8	-40.5	175.8	-63.6	-176.3	0	0	0	111.8	V612 F667 V695 I712 L723 A724 L730 D731	V612-L727 HydrophobicContact CG2-CD1 3.79Å; F667-L727 HydrophobicContact CD1-CD2 3.69Å; F667-L727 HydrophobicContact CD2-CB 4.42Å; F667-L727 HydrophobicContact CD2-CD2 4.09Å; F667-L727 HydrophobicContact CE1-CD2 3.78Å; F667-L727 HydrophobicContact CE2-CB 4.28Å; F667-L727 HydrophobicContact CE2-CD2 4.16Å; F667-L727 HydrophobicContact CG-CD2 3.88Å; F667-L727 HydrophobicContact CZ-CD2 4.02Å; V695-L727 HydrophobicContact CG2-CD2 4.31Å; I712-L727 HydrophobicContact CD1-CD2 3.69Å; L723-L727 HydrophobicContact CD1-CD1 4.39Å; L723-L727 HydrophobicContact CD1-CD2 4.23Å; L723-L727 HydrophobicContact CD1-CG 4.1Å; L723-L727 HydrophobicContact CG-CD1 4.27Å; L723-L727 HydrophobicContact CG-CG 4.34Å; L723-L727 WeakPolarHBondContact O-CG 3.43Å; L723-L727 PolarHBondContact O-N 2.81Å; A724-L727 PolarHBondContact O-N 2.77Å; L727-L730 PolarHBondContact O-N 2.78Å; L727-D731 WeakPolarHBondContact O-CB 3.46Å; L727-D731 PolarHBondContact O-N 3.04Å
728	R	95.2	Very high	90.9	Very high	99 Å²	99	54.8 Å²	54.8	37%	0.374	26%	0.258	S	S	.	.	H	α-helix	trans	-66.4	-34.7	172.9	-74.8	176.5	174.4	147.4	-3.2	113.1	L611 H635 A724 L725 Y726 D731 R732	L611-R728 HydrophobicContact CD2-CG 4.4Å; H635-R728 PolarHBondContact O-NH1 2.62Å; H635-R728 PolarHBondContact O-NH2 2.71Å; A724-R728 WeakPolarHBondContact O-CG 3.37Å; A724-R728 PolarHBondContact O-N 3.13Å; L725-R728 PolarHBondContact O-N 2.84Å; Y726-R728 VanDerWaalsContact C-N 3.33Å; Y726-R728 PolarHBondContact O-N 2.84Å; R728-D731 WeakPolarHBondContact O-CB 3.46Å; R728-D731 PolarHBondContact O-N 3.34Å; R728-R732 WeakPolarHBondContact O-CG 3.46Å; R728-R732 PolarHBondContact O-N 2.86Å
729	Q	96.3	Very high	91.9	Very high	92 Å²	92	58.9 Å²	58.9	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-63.6	-47.8	174.7	-173.1	-172.1	23	0	0	110.2	L725 Y726 D731 R732 D733 K736	L725-Q729 PolarHBondContact O-N 3.04Å; Y726-Q729 WeakPolarHBondContact O-CB 3.19Å; Y726-Q729 PolarHBondContact O-N 3.03Å; Y726-Q729 VanDerWaalsContact O-N 3.13Å; Q729-D731 VanDerWaalsContact C-N 3.28Å; Q729-D731 PolarHBondContact O-N 3.41Å; Q729-R732 PolarHBondContact O-N 3.1Å; Q729-D733 WeakPolarHBondContact O-CB 3.46Å; Q729-D733 PolarHBondContact O-N 3.14Å; Q729-K736 VanDerWaalsContact CD-NZ 3.31Å
730	L	95.9	Very high	92.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-34.8	176.1	-66.6	-179.3	0	0	0	112.4	F667 I712 Y726 L727 R732 D733 K736 Y737 Y740	F667-L730 HydrophobicContact CE1-CD1 3.8Å; F667-L730 HydrophobicContact CZ-CB 3.7Å; F667-L730 HydrophobicContact CZ-CD1 3.78Å; F667-L730 HydrophobicContact CZ-CG 4.41Å; I712-L730 HydrophobicContact CD1-CD1 3.69Å; Y726-L730 HydrophobicContact CD1-CD1 4.02Å; Y726-L730 HydrophobicContact CD1-CG 4.43Å; Y726-L730 HydrophobicContact CE1-CD1 3.53Å; Y726-L730 HydrophobicContact CE1-CG 4.08Å; Y726-L730 WeakPolarHBondContact O-CG 3.49Å; Y726-L730 PolarHBondContact O-N 2.75Å; L727-L730 PolarHBondContact O-N 2.78Å; L730-R732 VanDerWaalsContact C-N 3.26Å; L730-R732 PolarHBondContact O-N 2.96Å; L730-D733 CarbonylContact O-C 3.33Å; L730-D733 PolarHBondContact O-N 3.46Å; L730-D733 VanDerWaalsContact O-O 3.12Å; L730-K736 HydrophobicContact CD2-CB 4.03Å; L730-K736 HydrophobicContact CD2-CD 3.72Å; L730-K736 HydrophobicContact CD2-CG 3.52Å; L730-Y737 WeakPolarHBondContact O-CB 3.46Å; L730-Y740 HydrophobicContact CD1-CD2 4.23Å; L730-Y740 HydrophobicContact CD1-CE2 3.59Å; L730-Y740 HydrophobicContact CD2-CE2 3.98Å; L730-Y740 HydrophobicContact CG-CE2 4.47Å
731	D	93.6	Very high	93.2	Very high	61 Å²	61	58.3 Å²	58.3	33%	0.326	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-37.8	175.9	-170.7	45.1	0	0	0	112.7	L611 K666 L727 R728 Q729	L611-D731 HydrophobicContact CD1-CB 3.71Å; K666-D731 VanDerWaalsContact CD-OD1 3.32Å; K666-D731 WeakPolarHBondContact CD-OD1 3.23Å; K666-D731 WeakPolarHBondContact CE-OD1 3.36Å; K666-D731 PolarHBondContact NZ-O 3.47Å; K666-D731 IonicContact NZ-OD1 2.65Å; K666-D731 PolarHBondContact NZ-OD1 2.73Å; L727-D731 WeakPolarHBondContact O-CB 3.46Å; L727-D731 PolarHBondContact O-N 3.04Å; R728-D731 WeakPolarHBondContact O-CB 3.46Å; R728-D731 PolarHBondContact O-N 3.34Å; Q729-D731 VanDerWaalsContact C-N 3.28Å; Q729-D731 PolarHBondContact O-N 3.41Å
732	R	92.1	Very high	93.4	Very high	211 Å²	211	55 Å²	55	80%	0.796	25%	0.246	S	C	*	.	H	α-helix	trans	-84.4	-30	179.6	-65.5	170.8	-177	-179.6	-1.6	113.4	R728 Q729 L730	R728-R732 WeakPolarHBondContact O-CG 3.46Å; R728-R732 PolarHBondContact O-N 2.86Å; Q729-R732 PolarHBondContact O-N 3.1Å; L730-R732 VanDerWaalsContact C-N 3.26Å; L730-R732 PolarHBondContact O-N 2.96Å
733	D	92.8	Very high	93.7	Very high	65 Å²	65	52.3 Å²	52.3	35%	0.348	23%	0.233	S	C	.	.			trans	-103.8	88	-179.3	-174	-17.8	0	0	0	110.3	Q729 L730 E735 K736 Y737	Q729-D733 WeakPolarHBondContact O-CB 3.46Å; Q729-D733 PolarHBondContact O-N 3.14Å; L730-D733 CarbonylContact O-C 3.33Å; L730-D733 PolarHBondContact O-N 3.46Å; L730-D733 VanDerWaalsContact O-O 3.12Å; D733-E735 VanDerWaalsContact C-N 3.27Å; D733-E735 PolarHBondContact O-N 2.78Å; D733-E735 PolarHBondContact OD1-N 3.37Å; D733-K736 HydrophobicContact CB-CB 3.97Å; D733-K736 PolarHBondContact O-N 3.36Å; D733-K736 WeakPolarHBondContact OD1-CB 3.36Å; D733-K736 PolarHBondContact OD1-N 2.03Å; D733-K736 WeakPolarHBondContact OD2-CB 3.45Å; D733-Y737 PolarHBondContact O-N 2.82Å
734	M	89.8	Confident	93.4	Very high	34 Å²	34	54.2 Å²	54.2	17%	0.167	24%	0.242	C	C	.	.	H	α-helix	trans	-60	-36.3	-177	-166.2	61	55.9	0	0	112.5	A605 L606 Y737 L738	A605-M734 HydrophobicContact CB-SD 3.67Å; L606-M734 HydrophobicContact CD2-CE 4.04Å; M734-Y737 PolarHBondContact O-N 2.95Å; M734-Y737 HydrophobicContact SD-CD1 4.11Å; M734-L738 HydrophobicContact CG-CD1 4.07Å; M734-L738 HydrophobicContact CG-CG 4.32Å; M734-L738 WeakPolarHBondContact O-CB 3Å; M734-L738 WeakPolarHBondContact O-CG 3.41Å; M734-L738 PolarHBondContact O-N 3.23Å
735	E	91.4	Very high	93	Very high	86 Å²	86	56.5 Å²	56.5	40%	0.402	25%	0.252	S	S	.	.	H	α-helix	trans	-69.6	-40.7	-179.1	-66.9	-61.2	136.3	0	0	110.9	R598 K602 D733 L738 K739	R598-E735 IonicContact CZ-OE2 3.98Å; R598-E735 IonicContact NE-OE2 3.59Å; R598-E735 IonicContact NH2-OE2 3.73Å; R598-E735 PolarHBondContact NH2-OE2 2.59Å; K602-E735 IonicContact NZ-OE1 3.5Å; K602-E735 PolarHBondContact NZ-OE1 2.72Å; D733-E735 VanDerWaalsContact C-N 3.27Å; D733-E735 PolarHBondContact O-N 2.78Å; D733-E735 PolarHBondContact OD1-N 3.37Å; E735-L738 PolarHBondContact O-N 3Å; E735-K739 PolarHBondContact O-N 3.33Å
736	K	92.3	Very high	92.7	Very high	65 Å²	65	54 Å²	54	28%	0.283	24%	0.242	S	C	.	.	H	α-helix	trans	-67.4	-36.9	174	-165.4	179.7	179.5	178.1	0	112.3	Q729 L730 D733 K739	Q729-K736 VanDerWaalsContact CD-NZ 3.31Å; L730-K736 HydrophobicContact CD2-CB 4.03Å; L730-K736 HydrophobicContact CD2-CD 3.72Å; L730-K736 HydrophobicContact CD2-CG 3.52Å; D733-K736 HydrophobicContact CB-CB 3.97Å; D733-K736 PolarHBondContact O-N 3.36Å; D733-K736 WeakPolarHBondContact OD1-CB 3.36Å; D733-K736 PolarHBondContact OD1-N 2.03Å; D733-K736 WeakPolarHBondContact OD2-CB 3.45Å; K736-K739 WeakPolarHBondContact O-CB 3.49Å
737	Y	95	Very high	92.4	Very high	2 Å²	2	54 Å²	54	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-48.5	172.8	172.5	-99.8	0	0	0	112.1	A605 K666 F667 V693 L730 D733 M734 K739 Y740 F741	A605-Y737 HydrophobicContact CB-CD1 4.16Å; A605-Y737 HydrophobicContact CB-CE1 3.67Å; K666-Y737 HydrophobicContact CB-CE2 3.74Å; K666-Y737 HydrophobicContact CD-CE2 4.32Å; K666-Y737 HydrophobicContact CG-CE2 4.16Å; K666-Y737 PolarHBondContact O-OH 3.06Å; F667-Y737 HydrophobicContact CE1-CD2 4.17Å; F667-Y737 HydrophobicContact CE1-CE2 4.12Å; F667-Y737 AromaticContact CZ-CD2 3.81Å; F667-Y737 HydrophobicContact CZ-CD2 3.81Å; F667-Y737 AromaticContact CZ-CE2 3.97Å; F667-Y737 HydrophobicContact CZ-CE2 3.97Å; V693-Y737 HydrophobicContact CG2-CD2 4.25Å; V693-Y737 HydrophobicContact CG2-CE2 3.64Å; L730-Y737 WeakPolarHBondContact O-CB 3.46Å; D733-Y737 PolarHBondContact O-N 2.82Å; M734-Y737 PolarHBondContact O-N 2.95Å; M734-Y737 HydrophobicContact SD-CD1 4.11Å; Y737-K739 PolarHBondContact O-N 3.2Å; Y737-K739 VanDerWaalsContact O-N 3.16Å; Y737-Y740 WeakPolarHBondContact O-CB 3.34Å; Y737-Y740 PolarHBondContact O-N 3.13Å; Y737-F741 HydrophobicContact CD1-CE2 4.31Å; Y737-F741 HydrophobicContact CE1-CD2 4.48Å; Y737-F741 AromaticContact CE1-CE2 3.63Å; Y737-F741 HydrophobicContact CE1-CE2 3.63Å; Y737-F741 HydrophobicContact CE1-CZ 4.41Å; Y737-F741 HydrophobicContact CE2-CE2 4.14Å; Y737-F741 AromaticContact CZ-CE2 3.54Å; Y737-F741 AromaticContact CZ-CZ 3.98Å
738	L	92	Very high	91.9	Very high	3 Å²	3	57.5 Å²	57.5	2%	0.016	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-24.6	-178.9	-73	173.8	0	0	0	113	L601 K602 A605 M734 E735 Y740 F741	L601-L738 HydrophobicContact CB-CD2 3.89Å; K602-L738 HydrophobicContact CB-CD1 3.92Å; K602-L738 HydrophobicContact CD-CD1 4.19Å; K602-L738 HydrophobicContact CG-CD1 4.04Å; A605-L738 HydrophobicContact CB-CD2 4.4Å; M734-L738 HydrophobicContact CG-CD1 4.07Å; M734-L738 HydrophobicContact CG-CG 4.32Å; M734-L738 WeakPolarHBondContact O-CB 3Å; M734-L738 WeakPolarHBondContact O-CG 3.41Å; M734-L738 PolarHBondContact O-N 3.23Å; E735-L738 PolarHBondContact O-N 3Å; L738-Y740 PolarHBondContact O-N 2.91Å; L738-F741 PolarHBondContact O-N 3.11Å
739	K	92.9	Very high	91.8	Very high	142 Å²	142	54 Å²	54	62%	0.617	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-57.6	-29.8	173.5	-161.3	177.7	-176.3	174.8	0	112.9	E735 K736 Y737 F741 D742	E735-K739 PolarHBondContact O-N 3.33Å; K736-K739 WeakPolarHBondContact O-CB 3.49Å; Y737-K739 PolarHBondContact O-N 3.2Å; Y737-K739 VanDerWaalsContact O-N 3.16Å; K739-F741 PolarHBondContact O-N 3.47Å; K739-F741 VanDerWaalsContact O-N 3.1Å; K739-D742 WeakPolarHBondContact O-CB 3.39Å; K739-D742 PolarHBondContact O-N 3.13Å; K739-D742 VanDerWaalsContact O-N 3.16Å
740	Y	95.8	Very high	91.4	Very high	28 Å²	28	50.3 Å²	50.3	11%	0.11	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-66.7	-7.9	176.3	-80.1	-85.7	0	0	0	114.4	V693 G709 I712 Y726 L730 Y737 L738 W743	V693-Y740 HydrophobicContact CG1-CD1 3.76Å; V693-Y740 HydrophobicContact CG1-CE1 4.34Å; V693-Y740 HydrophobicContact CG1-CG 3.95Å; V693-Y740 HydrophobicContact CG2-CG 4.17Å; G709-Y740 WeakPolarHBondContact O-CA 3.47Å; G709-Y740 WeakPolarHBondContact O-CD1 3.34Å; I712-Y740 HydrophobicContact CD1-CE1 4.32Å; I712-Y740 HydrophobicContact CD1-CE2 4.48Å; I712-Y740 HydrophobicContact CG1-CD1 4.42Å; I712-Y740 HydrophobicContact CG1-CE1 3.58Å; Y726-Y740 WeakPolarHBondContact CE1-OH 3.5Å; Y726-Y740 PolarHBondContact OH-OH 3.22Å; L730-Y740 HydrophobicContact CD1-CD2 4.23Å; L730-Y740 HydrophobicContact CD1-CE2 3.59Å; L730-Y740 HydrophobicContact CD2-CE2 3.98Å; L730-Y740 HydrophobicContact CG-CE2 4.47Å; Y737-Y740 WeakPolarHBondContact O-CB 3.34Å; Y737-Y740 PolarHBondContact O-N 3.13Å; L738-Y740 PolarHBondContact O-N 2.91Å; Y740-W743 PolarHBondContact O-NE1 2.98Å
741	F	93.1	Very high	90.9	Very high	4 Å²	4	53.3 Å²	53.3	2%	0.018	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-111.9	7	177.9	-59.7	-82.1	0	0	0	113.1	L601 N691 V693 Y737 L738 K739 W743 M744	L601-F741 HydrophobicContact CD1-CB 3.43Å; L601-F741 VanDerWaalsContact CD1-CB 3.43Å; L601-F741 HydrophobicContact CD1-CG 3.98Å; N691-F741 VanDerWaalsContact C-CE1 3.47Å; N691-F741 HydrophobicContact CB-CE1 4.46Å; N691-F741 WeakPolarHBondContact O-CZ 3.39Å; V693-F741 HydrophobicContact CG2-CE1 4.38Å; V693-F741 HydrophobicContact CG2-CE2 3.61Å; V693-F741 HydrophobicContact CG2-CZ 3.49Å; V693-F741 VanDerWaalsContact CG2-CZ 3.49Å; Y737-F741 HydrophobicContact CD1-CE2 4.31Å; Y737-F741 HydrophobicContact CE1-CD2 4.48Å; Y737-F741 AromaticContact CE1-CE2 3.63Å; Y737-F741 HydrophobicContact CE1-CE2 3.63Å; Y737-F741 HydrophobicContact CE1-CZ 4.41Å; Y737-F741 HydrophobicContact CE2-CE2 4.14Å; Y737-F741 AromaticContact CZ-CE2 3.54Å; Y737-F741 AromaticContact CZ-CZ 3.98Å; L738-F741 PolarHBondContact O-N 3.11Å; K739-F741 PolarHBondContact O-N 3.47Å; K739-F741 VanDerWaalsContact O-N 3.1Å; F741-W743 PolarHBondContact O-N 3.27Å; F741-M744 HydrophobicContact CB-SD 4.12Å; F741-M744 HydrophobicContact CD1-SD 3.83Å; F741-M744 HydrophobicContact CG-SD 4.44Å; F741-M744 WeakPolarHBondContact O-CB 3.31Å; F741-M744 PolarHBondContact O-N 3.15Å; F741-M744 VanDerWaalsContact O-N 3.13Å
742	D	89.8	Confident	90.7	Very high	46 Å²	46	52.4 Å²	52.4	25%	0.246	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-61.5	-27	177.9	-83.1	-24.8	0	0	0	112.6	K739 M744 K745	K739-D742 WeakPolarHBondContact O-CB 3.39Å; K739-D742 PolarHBondContact O-N 3.13Å; K739-D742 VanDerWaalsContact O-N 3.16Å; D742-M744 PolarHBondContact O-N 3.4Å; D742-K745 VanDerWaalsContact CG-NZ 3.32Å; D742-K745 WeakPolarHBondContact O-CB 2.97Å; D742-K745 WeakPolarHBondContact O-CD 3.39Å; D742-K745 VanDerWaalsContact O-CG 3.25Å; D742-K745 WeakPolarHBondContact O-CG 3.18Å; D742-K745 PolarHBondContact O-N 3.27Å; D742-K745 WeakPolarHBondContact OD1-CE 3.45Å; D742-K745 IonicContact OD1-NZ 2.88Å; D742-K745 PolarHBondContact OD1-NZ 3.24Å; D742-K745 IonicContact OD2-NZ 3.51Å
743	W	91.5	Very high	90.5	Very high	18 Å²	18	44.9 Å²	44.9	7%	0.068	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-59.9	-32.9	176.6	65.4	-87.5	0	0	0	112.7	V585 L688 P707 Y740 F741 K745 S746 H747 V749	V585-W743 HydrophobicContact CG1-CE3 4.11Å; V585-W743 HydrophobicContact CG1-CZ3 4.16Å; L688-W743 HydrophobicContact CB-CH2 3.85Å; L688-W743 HydrophobicContact CB-CZ2 3.87Å; L688-W743 HydrophobicContact CD1-CH2 4.44Å; L688-W743 HydrophobicContact CD1-CZ2 4.46Å; L688-W743 HydrophobicContact CD2-CH2 4.36Å; L688-W743 HydrophobicContact CD2-CZ2 3.65Å; L688-W743 HydrophobicContact CG-CH2 4.44Å; L688-W743 HydrophobicContact CG-CZ2 4.19Å; P707-W743 HydrophobicContact CB-CB 3.61Å; P707-W743 HydrophobicContact CB-CG 4.35Å; P707-W743 HydrophobicContact CG-CB 3.83Å; P707-W743 HydrophobicContact CG-CD2 4.48Å; P707-W743 HydrophobicContact CG-CE3 4.32Å; P707-W743 HydrophobicContact CG-CG 4.3Å; Y740-W743 PolarHBondContact O-NE1 2.98Å; F741-W743 PolarHBondContact O-N 3.27Å; W743-K745 PolarHBondContact O-N 3.35Å; W743-S746 PolarHBondContact O-N 3.1Å; W743-S746 VanDerWaalsContact O-N 3.1Å; W743-S746 PolarHBondContact O-OG 3.07Å; W743-H747 HydrophobicContact CE3-CB 3.91Å; W743-H747 HydrophobicContact CZ3-CB 4.47Å; W743-H747 WeakPolarHBondContact O-CB 3.4Å; W743-H747 PolarHBondContact O-N 3.28Å; W743-H747 PolarHBondContact O-ND1 3.1Å; W743-V749 HydrophobicContact CH2-CG2 3.7Å; W743-V749 HydrophobicContact CZ3-CG2 3.94Å
744	M	89.7	Confident	90.3	Very high	40 Å²	40	44.4 Å²	44.4	20%	0.197	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-62.6	-15.6	-179.3	-61.3	-177.8	75.5	0	0	113.5	L601 N691 F741 D742 S746	L601-M744 HydrophobicContact CD1-SD 4.32Å; L601-M744 HydrophobicContact CD2-SD 4.44Å; N691-M744 WeakPolarHBondContact OD1-CE 2.98Å; F741-M744 HydrophobicContact CB-SD 4.12Å; F741-M744 HydrophobicContact CD1-SD 3.83Å; F741-M744 HydrophobicContact CG-SD 4.44Å; F741-M744 WeakPolarHBondContact O-CB 3.31Å; F741-M744 PolarHBondContact O-N 3.15Å; F741-M744 VanDerWaalsContact O-N 3.13Å; D742-M744 PolarHBondContact O-N 3.4Å; M744-S746 PolarHBondContact O-N 2.73Å
745	K	86.5	Confident	90.4	Very high	48 Å²	48	43.6 Å²	43.6	21%	0.209	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-62.2	-28.1	174.6	-66.4	168.9	-179	161.7	0	113.1	W597 D742 W743	W597-K745 HydrophobicContact CD2-CG 4.34Å; W597-K745 HydrophobicContact CE3-CG 4.27Å; W597-K745 HydrophobicContact CH2-CD 4.05Å; W597-K745 HydrophobicContact CH2-CG 4.05Å; W597-K745 HydrophobicContact CZ2-CD 4.28Å; W597-K745 HydrophobicContact CZ2-CG 3.97Å; W597-K745 HydrophobicContact CZ3-CD 4.32Å; W597-K745 HydrophobicContact CZ3-CG 4.12Å; D742-K745 VanDerWaalsContact CG-NZ 3.32Å; D742-K745 WeakPolarHBondContact O-CB 2.97Å; D742-K745 WeakPolarHBondContact O-CD 3.39Å; D742-K745 VanDerWaalsContact O-CG 3.25Å; D742-K745 WeakPolarHBondContact O-CG 3.18Å; D742-K745 PolarHBondContact O-N 3.27Å; D742-K745 WeakPolarHBondContact OD1-CE 3.45Å; D742-K745 IonicContact OD1-NZ 2.88Å; D742-K745 PolarHBondContact OD1-NZ 3.24Å; D742-K745 IonicContact OD2-NZ 3.51Å; W743-K745 PolarHBondContact O-N 3.35Å
746	S	85.5	Confident	90.4	Very high	40 Å²	40	41.7 Å²	41.7	28%	0.28	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	-3	-166.6	54.6	0	0	0	0	113.3	K587 M588 W743 M744	K587-S746 CarbonylContact C-O 3.5Å; K587-S746 VanDerWaalsContact CA-O 3.24Å; K587-S746 WeakPolarHBondContact CA-O 3.46Å; K587-S746 WeakPolarHBondContact CG-O 3.34Å; M588-S746 PolarHBondContact N-O 3.01Å; W743-S746 PolarHBondContact O-N 3.1Å; W743-S746 VanDerWaalsContact O-N 3.1Å; W743-S746 PolarHBondContact O-OG 3.07Å; M744-S746 PolarHBondContact O-N 2.73Å
747	H	90.9	Very high	90.5	Very high	51 Å²	51	38.9 Å²	38.9	24%	0.236	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.5	-176.1	-64.5	76.8	0	0	0	110.7	V585 R586 P707 W743	V585-H747 HydrophobicContact CG1-CB 3.71Å; R586-H747 CarbonylContact O-C 3.25Å; R586-H747 WeakPolarHBondContact O-CA 3.46Å; R586-H747 WeakPolarHBondContact O-CB 3.48Å; P707-H747 HydrophobicContact CG-CB 4.46Å; W743-H747 HydrophobicContact CE3-CB 3.91Å; W743-H747 HydrophobicContact CZ3-CB 4.47Å; W743-H747 WeakPolarHBondContact O-CB 3.4Å; W743-H747 PolarHBondContact O-N 3.28Å; W743-H747 PolarHBondContact O-ND1 3.1Å
748	E	88.4	Confident	90.4	Very high	72 Å²	72	42.3 Å²	42.3	34%	0.336	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	158.3	174.2	64.5	-173	164.2	0	0	109.9	V585 R586 M588	V585-E748 WeakPolarHBondContact CA-O 3.17Å; R586-E748 IonicContact CZ-OE1 2.67Å; R586-E748 PolarHBondContact N-O 3.37Å; R586-E748 IonicContact NE-OE1 3.57Å; R586-E748 IonicContact NH2-OE1 3.95Å; R586-E748 PolarHBondContact NH2-OE1 3.04Å; R586-E748 PolarHBondContact O-N 3.21Å; M588-E748 HydrophobicContact CG-CB 3.79Å; M588-E748 HydrophobicContact CG-CG 3.79Å; M588-E748 HydrophobicContact SD-CB 4.05Å
749	V	91.4	Very high	90.5	Very high	25 Å²	25	42.3 Å²	42.3	15%	0.152	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	124.6	175.5	-174.4	0	0	0	0	108.3	W584 V585 F685 L688 L689 W743	W584-V749 WeakPolarHBondContact O-CA 3.36Å; V585-V749 HydrophobicContact CG2-CG2 4.36Å; F685-V749 HydrophobicContact CB-CG1 3.98Å; F685-V749 HydrophobicContact CD1-CG1 4.29Å; L688-V749 HydrophobicContact CB-CG2 3.74Å; L688-V749 HydrophobicContact CD1-CG2 4.33Å; L689-V749 HydrophobicContact CD1-CG1 4.27Å; L689-V749 HydrophobicContact CD2-CB 3.83Å; L689-V749 HydrophobicContact CD2-CG1 4.15Å; L689-V749 HydrophobicContact CG-CB 4.03Å; L689-V749 HydrophobicContact CG-CG1 3.9Å; W743-V749 HydrophobicContact CH2-CG2 3.7Å; W743-V749 HydrophobicContact CZ3-CG2 3.94Å
750	I	89	Confident	90.7	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.082	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	124.9	166.7	-53.4	175.8	0	0	0	106.6	G583 W584 R586 D754 M755	G583-I750 CarbonylContact C-O 3.49Å; G583-I750 VanDerWaalsContact CA-O 3.26Å; G583-I750 WeakPolarHBondContact CA-O 3.3Å; W584-I750 PolarHBondContact N-O 2.8Å; W584-I750 PolarHBondContact O-N 3.33Å; R586-I750 HydrophobicContact CB-CD1 3.97Å; R586-I750 HydrophobicContact CB-CG1 4.5Å; I750-D754 HydrophobicContact CG2-CB 3.53Å; I750-M755 HydrophobicContact CB-CG 4.38Å; I750-M755 HydrophobicContact CB-SD 4.06Å; I750-M755 HydrophobicContact CD1-SD 4.42Å; I750-M755 HydrophobicContact CG2-CG 3.92Å; I750-M755 HydrophobicContact CG2-SD 3.7Å
751	D	86.1	Confident	90.6	Very high	63 Å²	63	35.2 Å²	35.2	34%	0.337	19%	0.185	S	C	.	.			trans	-83.7	179.2	-175.9	72.8	-6.4	0	0	0	112.5	L689 P753 M755	L689-D751 HydrophobicContact CD1-CB 4.13Å; D751-P753 WeakPolarHBondContact OD1-CD 3.4Å; D751-M755 WeakPolarHBondContact O-CG 2.92Å; D751-M755 PolarHBondContact O-N 2.73Å; D751-M755 VanDerWaalsContact O-N 3.1Å
752	E	88.1	Confident	90.7	Very high	42 Å²	42	42.3 Å²	42.3	20%	0.196	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-48.4	-172.1	-176.2	176.7	-174.6	0	0	113.8	K550 Y582 D754 M755 E756	K550-E752 VanDerWaalsContact NZ-CG 3.26Å; K550-E752 IonicContact NZ-OE1 3.48Å; K550-E752 PolarHBondContact NZ-OE1 2.99Å; Y582-E752 HydrophobicContact CD1-CG 4.24Å; Y582-E752 WeakPolarHBondContact CD1-OE1 3.41Å; Y582-E752 WeakPolarHBondContact CE1-OE1 3.21Å; Y582-E752 WeakPolarHBondContact O-CA 3.31Å; Y582-E752 VanDerWaalsContact O-CB 3.26Å; Y582-E752 WeakPolarHBondContact O-CB 3.28Å; E752-D754 VanDerWaalsContact C-N 3.33Å; E752-D754 PolarHBondContact O-N 2.77Å; E752-M755 PolarHBondContact O-N 3.34Å; E752-E756 PolarHBondContact O-N 2.71Å
753	P	87.4	Confident	91	Very high	53 Å²	53	40.1 Å²	40.1	34%	0.344	20%	0.2	S	C	.	.	H	α-helix	trans	-61.1	-39	179.7	-23.7	35.7	0	0	0	113.4	D751 E756 S757	D751-P753 WeakPolarHBondContact OD1-CD 3.4Å; P753-E756 PolarHBondContact O-N 2.69Å; P753-S757 WeakPolarHBondContact O-CB 3.21Å; P753-S757 PolarHBondContact O-N 2.88Å
754	D	88.9	Confident	91.1	Very high	54 Å²	54	39.3 Å²	39.3	29%	0.289	20%	0.197	S	C	.	.	H	α-helix	trans	-70.2	-40.1	179.1	-78.6	-0.8	0	0	0	111.3	L502 I750 E752 S757 L758	L502-D754 HydrophobicContact CD1-CB 3.78Å; I750-D754 HydrophobicContact CG2-CB 3.53Å; E752-D754 VanDerWaalsContact C-N 3.33Å; E752-D754 PolarHBondContact O-N 2.77Å; D754-S757 PolarHBondContact O-N 3.22Å; D754-L758 VanDerWaalsContact O-CG 3.3Å; D754-L758 WeakPolarHBondContact O-CG 3.41Å; D754-L758 PolarHBondContact O-N 3.39Å
755	M	92.7	Very high	91.2	Very high	18 Å²	18	44.2 Å²	44.2	9%	0.089	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-39.8	174.3	-73.5	-50.2	-61	0	0	112.8	P581 W584 I750 D751 E752 L758 A759	P581-M755 HydrophobicContact CG-CB 4.25Å; P581-M755 HydrophobicContact CG-CE 3.34Å; P581-M755 HydrophobicContact CG-CG 4.19Å; W584-M755 HydrophobicContact CB-CE 3.93Å; W584-M755 HydrophobicContact CB-CG 4.2Å; W584-M755 HydrophobicContact CB-SD 3.57Å; W584-M755 VanDerWaalsContact CB-SD 3.57Å; I750-M755 HydrophobicContact CB-CG 4.38Å; I750-M755 HydrophobicContact CB-SD 4.06Å; I750-M755 HydrophobicContact CD1-SD 4.42Å; I750-M755 HydrophobicContact CG2-CG 3.92Å; I750-M755 HydrophobicContact CG2-SD 3.7Å; D751-M755 WeakPolarHBondContact O-CG 2.92Å; D751-M755 PolarHBondContact O-N 2.73Å; D751-M755 VanDerWaalsContact O-N 3.1Å; E752-M755 PolarHBondContact O-N 3.34Å; M755-L758 HydrophobicContact SD-CD1 4.21Å; M755-A759 WeakPolarHBondContact O-CB 2.96Å; M755-A759 PolarHBondContact O-N 3.07Å; M755-A759 VanDerWaalsContact O-N 3.08Å
756	E	92.3	Very high	91.4	Very high	46 Å²	46	44.4 Å²	44.4	22%	0.215	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-45.6	171.8	-75.7	-175.3	172.7	0	0	110.9	K550 V580 E752 P753 L758 A759 F760	K550-E756 WeakPolarHBondContact CD-OE1 3.5Å; K550-E756 IonicContact NZ-OE1 3.82Å; K550-E756 PolarHBondContact NZ-OE1 2.91Å; V580-E756 HydrophobicContact CG1-CG 4.14Å; E752-E756 PolarHBondContact O-N 2.71Å; P753-E756 PolarHBondContact O-N 2.69Å; E756-L758 PolarHBondContact O-N 3.4Å; E756-A759 WeakPolarHBondContact O-CB 2.97Å; E756-A759 PolarHBondContact O-N 3.45Å; E756-A759 VanDerWaalsContact O-N 3.15Å; E756-F760 WeakPolarHBondContact O-CD2 3.17Å; E756-F760 PolarHBondContact O-N 2.92Å
757	S	93.6	Very high	91.6	Very high	5 Å²	5	42.5 Å²	42.5	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-47	-179.3	-170.6	0	0	0	0	112	V499 R501 L502 P753 D754 A759 F760 C761	V499-S757 WeakPolarHBondContact O-CA 3.48Å; V499-S757 VanDerWaalsContact O-CB 3.29Å; V499-S757 WeakPolarHBondContact O-CB 3.33Å; V499-S757 PolarHBondContact O-OG 3.46Å; R501-S757 PolarHBondContact N-OG 3.49Å; L502-S757 PolarHBondContact N-OG 3.08Å; L502-S757 VanDerWaalsContact N-OG 3.12Å; P753-S757 WeakPolarHBondContact O-CB 3.21Å; P753-S757 PolarHBondContact O-N 2.88Å; D754-S757 PolarHBondContact O-N 3.22Å; S757-A759 VanDerWaalsContact C-N 3.25Å; S757-A759 PolarHBondContact O-N 2.66Å; S757-F760 PolarHBondContact O-N 3.35Å; S757-F760 VanDerWaalsContact O-N 3.14Å; S757-C761 PolarHBondContact O-N 2.74Å; S757-C761 PolarHBondContact O-SG 2.92Å
758	L	92.3	Very high	91.3	Very high	74 Å²	74	45.9 Å²	45.9	39%	0.387	22%	0.223	S	C	.	.	H	α-helix	trans	-57.9	-37.1	175	-70.4	172.6	0	0	0	112.7	L502 D754 M755 E756 C761 R762	L502-L758 HydrophobicContact CD1-CD2 4.2Å; L502-L758 HydrophobicContact CD1-CG 3.94Å; D754-L758 VanDerWaalsContact O-CG 3.3Å; D754-L758 WeakPolarHBondContact O-CG 3.41Å; D754-L758 PolarHBondContact O-N 3.39Å; M755-L758 HydrophobicContact SD-CD1 4.21Å; E756-L758 PolarHBondContact O-N 3.4Å; L758-C761 WeakPolarHBondContact O-CB 3.43Å; L758-C761 PolarHBondContact O-N 3.47Å; L758-R762 WeakPolarHBondContact O-CB 3.12Å; L758-R762 PolarHBondContact O-N 2.78Å
759	A	95.6	Very high	91.1	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.033	24%	0.235	C	C	.	.	H	α-helix	trans	-67.4	-42	176.4	0	0	0	0	0	112.6	M570 I578 V580 M755 E756 S757 R762 L763	M570-A759 HydrophobicContact CE-CB 3.96Å; I578-A759 HydrophobicContact CG2-CB 3.88Å; I578-A759 VanDerWaalsContact CG2-O 3.31Å; I578-A759 WeakPolarHBondContact CG2-O 3.39Å; V580-A759 HydrophobicContact CB-CB 4.28Å; V580-A759 HydrophobicContact CG1-CB 4.15Å; V580-A759 HydrophobicContact CG2-CB 3.7Å; M755-A759 WeakPolarHBondContact O-CB 2.96Å; M755-A759 PolarHBondContact O-N 3.07Å; M755-A759 VanDerWaalsContact O-N 3.08Å; E756-A759 WeakPolarHBondContact O-CB 2.97Å; E756-A759 PolarHBondContact O-N 3.45Å; E756-A759 VanDerWaalsContact O-N 3.15Å; S757-A759 VanDerWaalsContact C-N 3.25Å; S757-A759 PolarHBondContact O-N 2.66Å; A759-R762 WeakPolarHBondContact O-CB 3.37Å; A759-R762 PolarHBondContact O-N 3.21Å; A759-L763 PolarHBondContact O-N 3.33Å
760	F	96.2	Very high	90.5	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-65.1	-39.8	173.7	-87.1	-81.9	0	0	0	112.1	F495 V499 F500 I510 L524 F548 M570 E756 S757 R762 L763 C764	F495-F760 HydrophobicContact CD1-CE1 4.38Å; F495-F760 HydrophobicContact CD1-CE2 4.2Å; F495-F760 AromaticContact CD1-CZ 3.62Å; F495-F760 HydrophobicContact CD1-CZ 3.62Å; F495-F760 AromaticContact CE1-CE2 3.93Å; F495-F760 HydrophobicContact CE1-CE2 3.93Å; F495-F760 AromaticContact CE1-CZ 3.44Å; F495-F760 HydrophobicContact CE1-CZ 3.44Å; F495-F760 VanDerWaalsContact CE1-CZ 3.44Å; F495-F760 HydrophobicContact CZ-CZ 4.28Å; V499-F760 HydrophobicContact CB-CB 4.04Å; V499-F760 HydrophobicContact CB-CD1 4.1Å; V499-F760 HydrophobicContact CB-CD2 3.66Å; V499-F760 HydrophobicContact CB-CE2 4.12Å; V499-F760 HydrophobicContact CB-CG 3.66Å; V499-F760 HydrophobicContact CG1-CD2 4Å; V499-F760 HydrophobicContact CG1-CE2 3.94Å; V499-F760 HydrophobicContact CG1-CG 4.36Å; V499-F760 HydrophobicContact CG1-CZ 4.26Å; V499-F760 HydrophobicContact CG2-CB 4.03Å; V499-F760 HydrophobicContact CG2-CD1 3.71Å; V499-F760 HydrophobicContact CG2-CD2 4.21Å; V499-F760 HydrophobicContact CG2-CE1 4.21Å; V499-F760 HydrophobicContact CG2-CG 3.71Å; F500-F760 HydrophobicContact CD1-CB 4.05Å; F500-F760 HydrophobicContact CE1-CB 3.78Å; F500-F760 HydrophobicContact CE1-CD1 4.34Å; F500-F760 WeakPolarHBondContact CE1-O 3.48Å; F500-F760 HydrophobicContact CZ-CD1 4.32Å; I510-F760 HydrophobicContact CD1-CD1 4.35Å; I510-F760 HydrophobicContact CD1-CE1 3.67Å; I510-F760 HydrophobicContact CD1-CZ 4.4Å; L524-F760 HydrophobicContact CD2-CE1 3.86Å; L524-F760 HydrophobicContact CD2-CZ 3.79Å; F548-F760 HydrophobicContact CE2-CE2 4.18Å; F548-F760 HydrophobicContact CE2-CZ 4.37Å; M570-F760 HydrophobicContact CE-CD1 4.14Å; M570-F760 HydrophobicContact CE-CD2 3.71Å; M570-F760 HydrophobicContact CE-CE1 4.12Å; M570-F760 HydrophobicContact CE-CE2 3.69Å; M570-F760 HydrophobicContact CE-CG 3.94Å; M570-F760 HydrophobicContact CE-CZ 3.89Å; E756-F760 WeakPolarHBondContact O-CD2 3.17Å; E756-F760 PolarHBondContact O-N 2.92Å; S757-F760 PolarHBondContact O-N 3.35Å; S757-F760 VanDerWaalsContact O-N 3.14Å; F760-R762 VanDerWaalsContact C-N 3.26Å; F760-R762 PolarHBondContact O-N 2.94Å; F760-L763 HydrophobicContact CD1-CD2 4.4Å; F760-L763 WeakPolarHBondContact O-CB 3.44Å; F760-L763 PolarHBondContact O-N 2.77Å; F760-C764 PolarHBondContact O-N 3.47Å
761	C	94.6	Very high	89.7	Confident	19 Å²	19	51.2 Å²	51.2	13%	0.128	26%	0.261	C	S	.	.	H	α-helix	trans	-56.8	-42.3	171.1	-55.8	0	0	0	0	111.5	C503 S757 L758 C764 K765	C503-C761 HydrophobicContact CB-CB 3.84Å; C503-C761 WeakPolarHBondContact CB-SG 3.46Å; C503-C761 VanDerWaalsContact SG-CA 3.53Å; C503-C761 WeakPolarHBondContact SG-CB 3.42Å; C503-C761 CovalentContact SG-SG 2.01Å; C503-C761 PolarHBondContact SG-SG 3.09Å; S757-C761 PolarHBondContact O-N 2.74Å; S757-C761 PolarHBondContact O-SG 2.92Å; L758-C761 WeakPolarHBondContact O-CB 3.43Å; L758-C761 PolarHBondContact O-N 3.47Å; C761-C764 PolarHBondContact O-N 3.21Å; C761-K765 PolarHBondContact O-N 3.23Å
762	R	94.4	Very high	88.5	Confident	153 Å²	153	56.3 Å²	56.3	58%	0.577	29%	0.287	S	S	*	.	H	α-helix	trans	-67.3	-41.9	177.1	-171.3	174.9	-176.6	138.9	0.6	112.1	L758 A759 F760 C764 K765 V766	L758-R762 WeakPolarHBondContact O-CB 3.12Å; L758-R762 PolarHBondContact O-N 2.78Å; A759-R762 WeakPolarHBondContact O-CB 3.37Å; A759-R762 PolarHBondContact O-N 3.21Å; F760-R762 VanDerWaalsContact C-N 3.26Å; F760-R762 PolarHBondContact O-N 2.94Å; R762-C764 VanDerWaalsContact C-N 3.33Å; R762-C764 PolarHBondContact O-N 3.24Å; R762-K765 PolarHBondContact O-N 3.36Å; R762-V766 WeakPolarHBondContact O-CG2 3.15Å; R762-V766 PolarHBondContact O-N 2.77Å
763	L	95.7	Very high	87.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-56.3	-49	172.6	174.8	61.9	0	0	0	110.5	I484 L524 V546 L568 M570 I578 A759 F760 K765 V766 L767	I484-L763 HydrophobicContact CD1-CD2 4.07Å; I484-L763 HydrophobicContact CD1-CG 4.32Å; L524-L763 HydrophobicContact CD1-CD2 4.47Å; V546-L763 HydrophobicContact CG1-CD1 4.45Å; V546-L763 HydrophobicContact CG2-CD1 4.23Å; L568-L763 HydrophobicContact CD1-CD1 4.5Å; M570-L763 HydrophobicContact SD-CB 4.41Å; M570-L763 HydrophobicContact SD-CD2 3.88Å; I578-L763 HydrophobicContact CD1-CD1 3.76Å; I578-L763 HydrophobicContact CG1-CB 4.14Å; I578-L763 HydrophobicContact CG1-CD1 4.29Å; A759-L763 PolarHBondContact O-N 3.33Å; F760-L763 HydrophobicContact CD1-CD2 4.4Å; F760-L763 WeakPolarHBondContact O-CB 3.44Å; F760-L763 PolarHBondContact O-N 2.77Å; L763-K765 VanDerWaalsContact C-N 3.29Å; L763-K765 PolarHBondContact O-N 2.82Å; L763-V766 WeakPolarHBondContact O-CB 3.25Å; L763-V766 PolarHBondContact O-N 2.95Å; L763-V766 VanDerWaalsContact O-N 3.09Å; L763-L767 HydrophobicContact CD1-CD1 4.22Å; L763-L767 HydrophobicContact CD1-CD2 4.47Å; L763-L767 HydrophobicContact CD1-CG 4.13Å; L763-L767 HydrophobicContact CG-CD1 4.16Å; L763-L767 HydrophobicContact CG-CG 4.45Å; L763-L767 WeakPolarHBondContact O-CG 3.42Å; L763-L767 PolarHBondContact O-N 2.84Å
764	C	94.3	Very high	86.4	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.007	31%	0.305	C	S	.	.	H	α-helix	trans	-58.4	-42.1	177.9	-177.3	0	0	0	0	112.2	F500 V506 C508 F760 C761 R762 V766 L767 K768	F500-C764 HydrophobicContact CE1-CB 4.24Å; V506-C764 HydrophobicContact CB-CB 4.28Å; V506-C764 HydrophobicContact CG2-CB 4.18Å; C508-C764 HydrophobicContact CB-CB 3.71Å; C508-C764 WeakPolarHBondContact CB-SG 3.31Å; C508-C764 WeakPolarHBondContact SG-CA 3.25Å; C508-C764 WeakPolarHBondContact SG-CB 3.48Å; C508-C764 CovalentContact SG-SG 2.02Å; C508-C764 PolarHBondContact SG-SG 3.34Å; F760-C764 PolarHBondContact O-N 3.47Å; C761-C764 PolarHBondContact O-N 3.21Å; R762-C764 VanDerWaalsContact C-N 3.33Å; R762-C764 PolarHBondContact O-N 3.24Å; C764-V766 VanDerWaalsContact C-N 3.34Å; C764-V766 PolarHBondContact O-N 3.35Å; C764-L767 PolarHBondContact O-N 2.88Å; C764-K768 WeakPolarHBondContact O-CB 3.12Å; C764-K768 PolarHBondContact O-N 2.96Å
765	K	90.4	Very high	86.1	Confident	144 Å²	144	55.3 Å²	55.3	63%	0.626	30%	0.295	S	S	*	.	H	α-helix	trans	-62.4	-39.8	175.7	-171.1	175.2	-178.9	176	0	112.5	C761 R762 L763 K768 N769	C761-K765 PolarHBondContact O-N 3.23Å; R762-K765 PolarHBondContact O-N 3.36Å; L763-K765 VanDerWaalsContact C-N 3.29Å; L763-K765 PolarHBondContact O-N 2.82Å; K765-K768 PolarHBondContact O-N 3.3Å; K765-N769 PolarHBondContact O-N 3.5Å
766	V	90.9	Very high	85.7	Confident	52 Å²	52	60.4 Å²	60.4	32%	0.315	32%	0.323	S	S	.	.	H	α-helix	trans	-62.4	-47.2	174.3	170.3	0	0	0	0	110.4	L568 R762 L763 C764 K768 N769 A770	L568-V766 HydrophobicContact CD1-CG1 4.1Å; R762-V766 WeakPolarHBondContact O-CG2 3.15Å; R762-V766 PolarHBondContact O-N 2.77Å; L763-V766 WeakPolarHBondContact O-CB 3.25Å; L763-V766 PolarHBondContact O-N 2.95Å; L763-V766 VanDerWaalsContact O-N 3.09Å; C764-V766 VanDerWaalsContact C-N 3.34Å; C764-V766 PolarHBondContact O-N 3.35Å; V766-K768 PolarHBondContact O-N 3.32Å; V766-N769 PolarHBondContact O-N 3.22Å; V766-A770 PolarHBondContact O-N 3.43Å
767	L	90.3	Very high	85.5	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-66.4	-35.5	179.3	-62.8	177.9	0	0	0	112.9	I484 K521 A522 H544 L763 C764 N769	I484-L767 HydrophobicContact CD1-CD1 3.77Å; I484-L767 HydrophobicContact CG1-CD1 3.55Å; K521-L767 HydrophobicContact CD-CB 4.43Å; K521-L767 WeakPolarHBondContact CE-O 3.09Å; K521-L767 PolarHBondContact NZ-O 3.38Å; A522-L767 HydrophobicContact CB-CD1 3.53Å; A522-L767 HydrophobicContact CB-CD2 3.73Å; A522-L767 HydrophobicContact CB-CG 4.28Å; H544-L767 HydrophobicContact CB-CD2 4.05Å; L763-L767 HydrophobicContact CD1-CD1 4.22Å; L763-L767 HydrophobicContact CD1-CD2 4.47Å; L763-L767 HydrophobicContact CD1-CG 4.13Å; L763-L767 HydrophobicContact CG-CD1 4.16Å; L763-L767 HydrophobicContact CG-CG 4.45Å; L763-L767 WeakPolarHBondContact O-CG 3.42Å; L763-L767 PolarHBondContact O-N 2.84Å; C764-L767 PolarHBondContact O-N 2.88Å; L767-N769 VanDerWaalsContact C-N 3.29Å; L767-N769 PolarHBondContact O-N 2.94Å
768	K	85.5	Confident	85.3	Confident	121 Å²	121	63 Å²	63	53%	0.526	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-39.9	173.9	179.5	175.1	-179.4	175	0	111.7	F482 P507 C764 K765 V766	F482-K768 HydrophobicContact CD2-CB 4.48Å; F482-K768 HydrophobicContact CE2-CB 3.97Å; F482-K768 HydrophobicContact CE2-CG 4.03Å; P507-K768 HydrophobicContact CG-CD 4.02Å; C764-K768 WeakPolarHBondContact O-CB 3.12Å; C764-K768 PolarHBondContact O-N 2.96Å; K765-K768 PolarHBondContact O-N 3.3Å; V766-K768 PolarHBondContact O-N 3.32Å
769	N	83.9	Confident	85	Confident	111 Å²	111	68.2 Å²	68.2	59%	0.594	35%	0.352	S	S	*	.	H	α-helix	trans	-92.1	-3.6	-175.2	-65.6	-10.3	0	0	0	114	K765 V766 L767	K765-N769 PolarHBondContact O-N 3.5Å; V766-N769 PolarHBondContact O-N 3.22Å; L767-N769 VanDerWaalsContact C-N 3.29Å; L767-N769 PolarHBondContact O-N 2.94Å
770	A	77.6	Confident	84.6	Confident	18 Å²	18	68.3 Å²	68.3	15%	0.149	35%	0.352	C	S	.	.	S	Bend	trans	-66.7	136.3	178.6	0	0	0	0	0	110.8	V766	V766-A770 PolarHBondContact O-N 3.43Å
771	P	72.2	Confident	84.3	Confident	97 Å²	97	68.3 Å²	68.3	63%	0.63	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-54	139.6	175.6	-22.5	31.7	0	0	0	111.8	G773	P771-G773 PolarHBondContact O-N 3.08Å
772	L	61.1	Low	83.8	Confident	169 Å²	169	72.7 Å²	72.7	89%	0.885	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	127.3	173.5	-82.2	154.1	0	0	0	109.8
773	G	62.7	Low	83.2	Confident	45 Å²	45	67 Å²	67	46%	0.464	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.7	-16.5	167.4	0	0	0	0	0	117.2	P771	P771-G773 PolarHBondContact O-N 3.08Å
774	T	70	Confident	82.4	Confident	75 Å²	75	67.3 Å²	67.3	46%	0.46	35%	0.353	S	S	.	.			trans	-142.5	121.7	-179.4	55.9	0	0	0	0	113.6	P541	P541-T774 CarbonylContact O-C 3.51Å; P541-T774 WeakPolarHBondContact O-CA 3.17Å
775	A	82.2	Confident	81.6	Confident	9 Å²	9	69.7 Å²	69.7	7%	0.074	37%	0.368	C	S	.	.			trans	-104.3	77	175.3	0	0	0	0	0	110.8	P541 M543 T567	P541-A775 PolarHBondContact O-N 2.94Å; M543-A775 WeakPolarHBondContact O-CB 3.43Å; T567-A775 VanDerWaalsContact CG2-O 3.3Å; T567-A775 WeakPolarHBondContact CG2-O 3.1Å
776	D	84.6	Confident	81.1	Confident	124 Å²	124	67.7 Å²	67.7	66%	0.663	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-68.4	156.7	178.2	-71.4	-36.7	0	0	0	112.5
777	R	87.4	Confident	80.8	Confident	90 Å²	90	66.2 Å²	66.2	34%	0.34	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-77.5	132.9	177.5	-61.7	-172.7	-73.4	168.6	-12.5	110.5	D564 Y566 T567 A781 E782	D564-R777 IonicContact OD1-CZ 2.76Å; D564-R777 IonicContact OD1-NH1 3.78Å; D564-R777 PolarHBondContact OD1-NH1 3.34Å; D564-R777 IonicContact OD1-NH2 2.85Å; Y566-R777 WeakPolarHBondContact O-CD 3.34Å; Y566-R777 WeakPolarHBondContact O-CG 3.47Å; T567-R777 HydrophobicContact CG2-CG 4.29Å; R777-A781 HydrophobicContact CB-CB 4.45Å; R777-E782 PolarHBondContact NH1-O 2.83Å
778	S	89.4	Confident	80.4	Confident	17 Å²	17	66.2 Å²	66.2	12%	0.119	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-71.4	164.8	169.9	72.5	0	0	0	0	112	T567 D577 S780 A781 E782	T567-S778 PolarHBondContact O-N 3.2Å; T567-S778 PolarHBondContact O-OG 3.43Å; D577-S778 VanDerWaalsContact CG-CB 3.44Å; D577-S778 WeakPolarHBondContact OD1-CB 3.27Å; D577-S778 PolarHBondContact OD1-OG 2.89Å; D577-S778 VanDerWaalsContact OD2-CB 3.25Å; D577-S778 WeakPolarHBondContact OD2-CB 3.27Å; D577-S778 PolarHBondContact OD2-OG 2.8Å; S778-S780 VanDerWaalsContact C-N 3.27Å; S778-S780 PolarHBondContact O-N 3.12Å; S778-S780 PolarHBondContact OG-OG 2.75Å; S778-A781 CarbonylContact O-C 3.58Å; S778-A781 WeakPolarHBondContact O-CA 3.33Å; S778-A781 PolarHBondContact O-N 2.89Å; S778-A781 WeakPolarHBondContact OG-CB 3.44Å; S778-A781 PolarHBondContact OG-N 2.78Å; S778-E782 PolarHBondContact O-N 3.45Å
779	K	87	Confident	79.9	Confident	183 Å²	183	62.7 Å²	62.7	80%	0.796	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-36.6	177.5	-173.6	178.5	179.6	179.6	0	113.3	A781	K779-A781 VanDerWaalsContact C-N 3.35Å
780	S	87.4	Confident	79.4	Confident	6 Å²	6	60 Å²	60	4%	0.042	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.3	176.5	47.3	0	0	0	0	112.8	T569 D577 S778 I784	T569-S780 VanDerWaalsContact OG1-CB 3.3Å; T569-S780 WeakPolarHBondContact OG1-CB 3.27Å; T569-S780 PolarHBondContact OG1-OG 3.31Å; D577-S780 PolarHBondContact OD2-OG 3.13Å; S778-S780 VanDerWaalsContact C-N 3.27Å; S778-S780 PolarHBondContact O-N 3.12Å; S778-S780 PolarHBondContact OG-OG 2.75Å; S780-I784 WeakPolarHBondContact O-CG1 3.35Å
781	A	88.4	Confident	79.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-11.8	177.7	0	0	0	0	0	114.4	T567 T569 R777 S778 K779 D783	T567-A781 WeakPolarHBondContact O-CB 3.5Å; T569-A781 HydrophobicContact CG2-CB 4.12Å; R777-A781 HydrophobicContact CB-CB 4.45Å; S778-A781 CarbonylContact O-C 3.58Å; S778-A781 WeakPolarHBondContact O-CA 3.33Å; S778-A781 PolarHBondContact O-N 2.89Å; S778-A781 WeakPolarHBondContact OG-CB 3.44Å; S778-A781 PolarHBondContact OG-N 2.78Å; K779-A781 VanDerWaalsContact C-N 3.35Å; A781-D783 PolarHBondContact O-N 2.02Å
782	E	84.1	Confident	79.4	Confident	112 Å²	112	57 Å²	57	52%	0.523	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-44.7	179	-80	174.8	-159.8	0	0	113.6	R777 S778	R777-E782 PolarHBondContact NH1-O 2.83Å; S778-E782 PolarHBondContact O-N 3.45Å
783	D	82	Confident	80.3	Confident	33 Å²	33	56.2 Å²	56.2	18%	0.176	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-146	80.6	177.3	-170.3	-22.1	0	0	0	109.1	K563 A781 V785 K786 W787	K563-D783 VanDerWaalsContact CE-OD1 3.31Å; K563-D783 WeakPolarHBondContact CE-OD1 3.49Å; K563-D783 WeakPolarHBondContact CE-OD2 3.27Å; K563-D783 IonicContact NZ-OD1 2.69Å; K563-D783 IonicContact NZ-OD2 3.48Å; K563-D783 PolarHBondContact NZ-OD2 2.69Å; A781-D783 PolarHBondContact O-N 2.02Å; D783-V785 PolarHBondContact O-N 3.44Å; D783-K786 HydrophobicContact CB-CB 4Å; D783-K786 VanDerWaalsContact CG-CB 3.42Å; D783-K786 PolarHBondContact O-N 2.82Å; D783-K786 VanDerWaalsContact O-N 3.13Å; D783-K786 WeakPolarHBondContact OD1-CB 3.33Å; D783-K786 PolarHBondContact OD1-N 2.95Å; D783-W787 WeakPolarHBondContact O-CB 3.36Å; D783-W787 PolarHBondContact O-N 3.09Å
784	I	79.4	Confident	81.2	Confident	6 Å²	6	55 Å²	55	3%	0.031	27%	0.265	C	S	.	.	H	α-helix	trans	-62.1	-33.2	-176.4	-74.5	159.8	0	0	0	112.1	L547 L558 Y566 T569 S780 K786 F788	L547-I784 HydrophobicContact CD2-CD1 3.96Å; L547-I784 HydrophobicContact CD2-CG1 4.26Å; L547-I784 HydrophobicContact CD2-CG2 3.82Å; L558-I784 HydrophobicContact CD1-CG2 4.35Å; L558-I784 HydrophobicContact CD2-CG2 3.57Å; Y566-I784 HydrophobicContact CD2-CD1 3.25Å; Y566-I784 HydrophobicContact CE2-CD1 4.19Å; Y566-I784 HydrophobicContact CG-CD1 3.68Å; T569-I784 HydrophobicContact CG2-CD1 4.3Å; T569-I784 HydrophobicContact CG2-CG1 4.17Å; S780-I784 WeakPolarHBondContact O-CG1 3.35Å; I784-K786 VanDerWaalsContact C-N 3.35Å; I784-F788 HydrophobicContact CG2-CB 4.17Å; I784-F788 WeakPolarHBondContact O-CA 3.19Å; I784-F788 WeakPolarHBondContact O-CB 3.06Å; I784-F788 PolarHBondContact O-N 3.26Å
785	V	77	Confident	81.7	Confident	51 Å²	51	53.1 Å²	53.1	31%	0.309	25%	0.252	S	S	.	.	I	π-helix	trans	-62.7	-46.4	176.4	175	0	0	0	0	109.5	D783 I789 L790	D783-V785 PolarHBondContact O-N 3.44Å; V785-I789 HydrophobicContact CG1-CD1 4.27Å; V785-I789 WeakPolarHBondContact O-CA 3.13Å; V785-I789 WeakPolarHBondContact O-CB 3.49Å; V785-I789 PolarHBondContact O-N 2.73Å; V785-I789 VanDerWaalsContact O-N 3.09Å; V785-L790 PolarHBondContact O-N 2.71Å; V785-L790 VanDerWaalsContact O-N 3.14Å
786	K	80	Confident	81.5	Confident	102 Å²	102	57.1 Å²	57.1	44%	0.443	27%	0.265	S	S	.	.	I	π-helix	trans	-64.4	-54.4	174	-175.1	-174.7	175.5	-175	0	112.1	D783 I784 L790 D791	D783-K786 HydrophobicContact CB-CB 4Å; D783-K786 VanDerWaalsContact CG-CB 3.42Å; D783-K786 PolarHBondContact O-N 2.82Å; D783-K786 VanDerWaalsContact O-N 3.13Å; D783-K786 WeakPolarHBondContact OD1-CB 3.33Å; D783-K786 PolarHBondContact OD1-N 2.95Å; I784-K786 VanDerWaalsContact C-N 3.35Å; K786-L790 HydrophobicContact CB-CD1 4.24Å; K786-L790 HydrophobicContact CG-CD1 4.4Å; K786-L790 WeakPolarHBondContact O-CB 3.45Å; K786-L790 PolarHBondContact O-N 2.76Å; K786-D791 PolarHBondContact O-N 3.16Å
787	W	84.6	Confident	80.9	Confident	21 Å²	21	54.4 Å²	54.4	8%	0.08	25%	0.251	C	S	.	.	I	π-helix	trans	-66.4	-43.5	-172.9	169.1	77.5	0	0	0	113.1	T569 T571 R573 D575 D783 D791	T569-W787 HydrophobicContact CG2-CE3 4.24Å; T569-W787 HydrophobicContact CG2-CH2 4.24Å; T569-W787 HydrophobicContact CG2-CZ3 3.74Å; T571-W787 HydrophobicContact CG2-CH2 4.27Å; T571-W787 HydrophobicContact CG2-CZ3 4.41Å; T571-W787 WeakPolarHBondContact OG1-CH2 3.4Å; R573-W787 HydrophobicContact CB-CH2 3.94Å; R573-W787 HydrophobicContact CB-CZ2 3.62Å; R573-W787 HydrophobicContact CG-CH2 4.47Å; R573-W787 HydrophobicContact CG-CZ2 4.24Å; R573-W787 PolarHBondContact NH1-O 3.04Å; D575-W787 PolarHBondContact OD2-NE1 3.08Å; D783-W787 WeakPolarHBondContact O-CB 3.36Å; D783-W787 PolarHBondContact O-N 3.09Å; W787-D791 WeakPolarHBondContact O-CB 3.48Å
788	F	82.6	Confident	80.6	Confident	0 Å²	0	51 Å²	51	0%	0	24%	0.238	C	C	.	.	I	π-helix	trans	-90.5	-46.9	-174.9	-157.9	-100.5	0	0	0	112.5	L549 P553 L558 T571 Y572 R573 I784 G792	L549-F788 HydrophobicContact CD2-CD1 4Å; L549-F788 HydrophobicContact CD2-CE1 3.26Å; L549-F788 HydrophobicContact CD2-CE2 4.41Å; L549-F788 HydrophobicContact CD2-CZ 3.47Å; L549-F788 VanDerWaalsContact CD2-CZ 3.47Å; L549-F788 HydrophobicContact CG-CE1 4.27Å; L549-F788 HydrophobicContact CG-CZ 4.08Å; P553-F788 HydrophobicContact CB-CD1 4.34Å; P553-F788 HydrophobicContact CG-CD1 3.82Å; P553-F788 HydrophobicContact CG-CE1 3.93Å; P553-F788 WeakPolarHBondContact CG-O 3.43Å; L558-F788 HydrophobicContact CD1-CB 4.18Å; L558-F788 HydrophobicContact CD1-CD1 3.31Å; L558-F788 HydrophobicContact CD1-CE1 3.98Å; L558-F788 HydrophobicContact CD1-CG 4.04Å; T571-F788 HydrophobicContact CG2-CD2 4.45Å; T571-F788 HydrophobicContact CG2-CE2 3.92Å; Y572-F788 HydrophobicContact CD1-CE2 4.45Å; Y572-F788 HydrophobicContact CD1-CZ 4.03Å; Y572-F788 HydrophobicContact CE1-CE1 4.23Å; Y572-F788 AromaticContact CE1-CE2 3.98Å; Y572-F788 HydrophobicContact CE1-CE2 3.98Å; Y572-F788 AromaticContact CE1-CZ 3.39Å; Y572-F788 HydrophobicContact CE1-CZ 3.39Å; R573-F788 HydrophobicContact CG-CD2 4.09Å; R573-F788 HydrophobicContact CG-CE2 3.93Å; I784-F788 HydrophobicContact CG2-CB 4.17Å; I784-F788 WeakPolarHBondContact O-CA 3.19Å; I784-F788 WeakPolarHBondContact O-CB 3.06Å; I784-F788 PolarHBondContact O-N 3.26Å; F788-G792 WeakPolarHBondContact O-CA 3.33Å; F788-G792 PolarHBondContact O-N 3.38Å
789	I	75.2	Confident	79.8	Confident	47 Å²	47	50.1 Å²	50.1	24%	0.241	23%	0.233	C	C	.	.	I	π-helix	trans	-82.4	-55.2	-175.6	-48.8	-174.8	0	0	0	111.1	P553 L558 V785	P553-I789 HydrophobicContact CB-CB 4.33Å; P553-I789 HydrophobicContact CB-CG1 4.29Å; P553-I789 HydrophobicContact CB-CG2 4.19Å; L558-I789 HydrophobicContact CB-CD1 3.9Å; L558-I789 HydrophobicContact CB-CG1 4.49Å; L558-I789 HydrophobicContact CD1-CD1 4.35Å; L558-I789 HydrophobicContact CD1-CG1 4.05Å; V785-I789 HydrophobicContact CG1-CD1 4.27Å; V785-I789 WeakPolarHBondContact O-CA 3.13Å; V785-I789 WeakPolarHBondContact O-CB 3.49Å; V785-I789 PolarHBondContact O-N 2.73Å; V785-I789 VanDerWaalsContact O-N 3.09Å
790	L	72	Confident	79.2	Confident	54 Å²	54	46.1 Å²	46.1	28%	0.283	22%	0.215	S	C	.	.	I	π-helix	trans	-76.3	-46.4	-172.5	-56.8	168	0	0	0	111.7	V785 K786 G792 K912 D913	V785-L790 PolarHBondContact O-N 2.71Å; V785-L790 VanDerWaalsContact O-N 3.14Å; K786-L790 HydrophobicContact CB-CD1 4.24Å; K786-L790 HydrophobicContact CG-CD1 4.4Å; K786-L790 WeakPolarHBondContact O-CB 3.45Å; K786-L790 PolarHBondContact O-N 2.76Å; L790-G792 VanDerWaalsContact C-N 3.25Å; L790-G792 PolarHBondContact O-N 3.04Å; L790-K912 HydrophobicContact CD1-CD 4.44Å; L790-D913 WeakPolarHBondContact CD1-OD2 3.44Å; L790-D913 HydrophobicContact CD2-CB 4.38Å; L790-D913 WeakPolarHBondContact CD2-OD2 3.46Å
791	D	78.1	Confident	78.5	Confident	54 Å²	54	47.7 Å²	47.7	29%	0.289	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.7	179	-64	-23.8	0	0	0	113	R573 K786 W787 R793 R1126	R573-D791 VanDerWaalsContact NH1-C 3.33Å; R573-D791 PolarHBondContact NH1-O 3.09Å; K786-D791 PolarHBondContact O-N 3.16Å; W787-D791 WeakPolarHBondContact O-CB 3.48Å; D791-R793 PolarHBondContact O-N 3.49Å; D791-R1126 IonicContact OD1-NH2 3.68Å
792	G	73.1	Confident	77.6	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.2	173.2	0	0	0	0	0	113.8	K677 F788 L790 C794	K677-G792 WeakPolarHBondContact CB-O 3.37Å; K677-G792 PolarHBondContact N-O 2.99Å; F788-G792 WeakPolarHBondContact O-CA 3.33Å; F788-G792 PolarHBondContact O-N 3.38Å; L790-G792 VanDerWaalsContact C-N 3.25Å; L790-G792 PolarHBondContact O-N 3.04Å; G792-C794 VanDerWaalsContact C-N 3.31Å; G792-C794 PolarHBondContact O-N 3.5Å
793	R	78.9	Confident	76.5	Confident	151 Å²	151	46.5 Å²	46.5	57%	0.57	22%	0.215	S	C	*	.			trans	46.9	47.3	174	-60.1	-172.2	-64.4	-177.1	1.1	114.1	K677 D791	K677-R793 HydrophobicContact CB-CB 4.47Å; D791-R793 PolarHBondContact O-N 3.49Å
794	C	82	Confident	74.9	Confident	20 Å²	20	50 Å²	50	14%	0.135	24%	0.237	C	C	.	.			trans	-72.9	144.1	177.5	-62.9	0	0	0	0	112.5	Q554 V675 C676 G792	Q554-C794 PolarHBondContact NE2-SG 2.83Å; Q554-C794 VanDerWaalsContact NE2-SG 3.35Å; Q554-C794 PolarHBondContact OE1-SG 3.31Å; Q554-C794 VanDerWaalsContact OE1-SG 3.36Å; V675-C794 CarbonylContact O-C 3.59Å; V675-C794 VanDerWaalsContact O-CA 3.26Å; V675-C794 WeakPolarHBondContact O-CA 3.47Å; C676-C794 HydrophobicContact CB-CB 4.05Å; C676-C794 WeakPolarHBondContact CB-SG 3.25Å; C676-C794 WeakPolarHBondContact SG-CB 3.46Å; C676-C794 CovalentContact SG-SG 2.03Å; C676-C794 PolarHBondContact SG-SG 3.19Å; G792-C794 VanDerWaalsContact C-N 3.31Å; G792-C794 PolarHBondContact O-N 3.5Å
795	L	80.2	Confident	72.8	Confident	36 Å²	36	55.8 Å²	55.8	19%	0.188	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-121.2	116.2	-177.7	-54.9	173.5	0	0	0	111.1	V675 Y798 P890	V675-L795 HydrophobicContact CB-CB 4.25Å; V675-L795 HydrophobicContact CG1-CB 4.46Å; V675-L795 HydrophobicContact CG1-CD1 4.23Å; V675-L795 PolarHBondContact O-N 2.88Å; L795-Y798 HydrophobicContact CB-CD2 3.94Å; L795-Y798 HydrophobicContact CD1-CD2 3.68Å; L795-Y798 HydrophobicContact CD1-CE2 3.66Å; L795-Y798 HydrophobicContact CG-CD2 4.47Å; L795-P890 HydrophobicContact CD1-CB 4.42Å; L795-P890 HydrophobicContact CD1-CG 4.18Å; L795-P890 HydrophobicContact CD2-CB 4.08Å; L795-P890 HydrophobicContact CD2-CG 4.26Å
796	R	77.2	Confident	70.8	Confident	92 Å²	92	60.5 Å²	60.5	35%	0.347	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	155.5	172.4	-88.8	175.3	-149.6	-144.9	6.9	111.4	P622 Y798 R801 V886 E887	P622-R796 HydrophobicContact CB-CG 3.94Å; P622-R796 CarbonylContact O-C 3.48Å; P622-R796 VanDerWaalsContact O-CA 3.26Å; P622-R796 WeakPolarHBondContact O-CA 3.43Å; R796-Y798 PolarHBondContact O-N 3.44Å; R796-R801 PolarHBondContact O-NH2 3.19Å; R796-V886 VanDerWaalsContact NH1-CG1 3.32Å; R796-E887 WeakPolarHBondContact CA-OE2 3.5Å; R796-E887 HydrophobicContact CB-CB 3.96Å; R796-E887 HydrophobicContact CB-CG 4.09Å; R796-E887 WeakPolarHBondContact CB-OE2 3.15Å; R796-E887 VanDerWaalsContact CD-OE1 3.3Å; R796-E887 WeakPolarHBondContact CD-OE1 3.24Å; R796-E887 HydrophobicContact CG-CB 4.4Å; R796-E887 HydrophobicContact CG-CG 3.96Å; R796-E887 VanDerWaalsContact CG-OE1 3.29Å; R796-E887 WeakPolarHBondContact CG-OE1 3.45Å; R796-E887 WeakPolarHBondContact CG-OE2 3.29Å; R796-E887 IonicContact CZ-OE1 3.41Å; R796-E887 PolarHBondContact N-OE2 3.01Å; R796-E887 IonicContact NE-OE1 2.74Å; R796-E887 PolarHBondContact NE-OE1 3.43Å; R796-E887 IonicContact NH2-OE1 2.64Å
797	D	73.5	Confident	68.4	Low	68 Å²	68	62.3 Å²	62.3	36%	0.364	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	26.2	175.9	-68.5	-53.9	0	0	0	112.8	P622 A624 G799 K800	P622-D797 PolarHBondContact O-N 2.02Å; A624-D797 HydrophobicContact CB-CB 4.45Å; D797-G799 PolarHBondContact O-N 3.22Å; D797-K800 HydrophobicContact CB-CB 4.35Å; D797-K800 HydrophobicContact CB-CD 3.97Å; D797-K800 HydrophobicContact CB-CG 4.28Å; D797-K800 WeakPolarHBondContact O-CB 3.2Å; D797-K800 PolarHBondContact O-N 3.04Å; D797-K800 WeakPolarHBondContact OD1-CD 3.05Å; D797-K800 WeakPolarHBondContact OD1-CE 3.48Å; D797-K800 IonicContact OD1-NZ 2.67Å; D797-K800 PolarHBondContact OD1-NZ 3.32Å; D797-K800 IonicContact OD2-NZ 2.72Å
798	Y	79.7	Confident	65.6	Low	17 Å²	17	66.4 Å²	66.4	7%	0.067	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-55.8	-42.1	-174.7	-166.2	-84.6	0	0	0	111.5	S623 V675 L697 S698 D715 L795 R796 K800 R801 F802	S623-Y798 PolarHBondContact O-N 3.48Å; S623-Y798 VanDerWaalsContact O-N 3.13Å; V675-Y798 HydrophobicContact CB-CD2 4.38Å; V675-Y798 HydrophobicContact CB-CG 4.38Å; V675-Y798 HydrophobicContact CG1-CD2 4.02Å; V675-Y798 HydrophobicContact CG1-CE2 4.29Å; V675-Y798 HydrophobicContact CG1-CG 4.31Å; V675-Y798 HydrophobicContact CG2-CD1 4.35Å; V675-Y798 HydrophobicContact CG2-CD2 4.42Å; V675-Y798 HydrophobicContact CG2-CG 3.93Å; L697-Y798 HydrophobicContact CB-CD1 4.21Å; L697-Y798 HydrophobicContact CB-CE1 4.45Å; L697-Y798 WeakPolarHBondContact O-CE1 3.36Å; S698-Y798 PolarHBondContact OG-OH 3.35Å; D715-Y798 WeakPolarHBondContact CB-OH 3.26Å; D715-Y798 PolarHBondContact OD2-OH 3.41Å; L795-Y798 HydrophobicContact CB-CD2 3.94Å; L795-Y798 HydrophobicContact CD1-CD2 3.68Å; L795-Y798 HydrophobicContact CD1-CE2 3.66Å; L795-Y798 HydrophobicContact CG-CD2 4.47Å; R796-Y798 PolarHBondContact O-N 3.44Å; Y798-K800 VanDerWaalsContact C-N 3.28Å; Y798-K800 PolarHBondContact O-N 3.4Å; Y798-R801 WeakPolarHBondContact O-CB 3.43Å; Y798-R801 PolarHBondContact O-N 2.99Å; Y798-F802 AromaticContact CD1-CE2 3.9Å; Y798-F802 HydrophobicContact CD1-CE2 3.9Å; Y798-F802 HydrophobicContact CE1-CD2 4.48Å; Y798-F802 AromaticContact CE1-CE2 3.42Å; Y798-F802 HydrophobicContact CE1-CE2 3.42Å; Y798-F802 VanDerWaalsContact CE1-CE2 3.42Å; Y798-F802 AromaticContact CE1-CZ 3.97Å; Y798-F802 HydrophobicContact CE1-CZ 3.97Å; Y798-F802 AromaticContact CZ-CE2 3.99Å; Y798-F802 WeakPolarHBondContact O-CD2 3.43Å
799	G	74.5	Confident	63.2	Low	0 Å²	0	72.1 Å²	72.1	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-62.9	-28.6	176.2	0	0	0	0	0	114.2	S623 D797 R801	S623-G799 PolarHBondContact O-N 3.4Å; D797-G799 PolarHBondContact O-N 3.22Å; G799-R801 VanDerWaalsContact C-N 3.31Å; G799-R801 PolarHBondContact O-N 3.35Å
800	K	73.6	Confident	61.3	Low	98 Å²	98	77 Å²	77	43%	0.426	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-72.1	-24.7	177.7	-62.8	-176.6	-176.2	154.4	0	112.5	A624 V627 D797 Y798 F802 I803	A624-K800 HydrophobicContact CB-CD 4.35Å; A624-K800 HydrophobicContact CB-CG 3.88Å; V627-K800 HydrophobicContact CB-CG 4.14Å; V627-K800 HydrophobicContact CG1-CG 4.24Å; V627-K800 HydrophobicContact CG2-CG 4.03Å; D797-K800 HydrophobicContact CB-CB 4.35Å; D797-K800 HydrophobicContact CB-CD 3.97Å; D797-K800 HydrophobicContact CB-CG 4.28Å; D797-K800 WeakPolarHBondContact O-CB 3.2Å; D797-K800 PolarHBondContact O-N 3.04Å; D797-K800 WeakPolarHBondContact OD1-CD 3.05Å; D797-K800 WeakPolarHBondContact OD1-CE 3.48Å; D797-K800 IonicContact OD1-NZ 2.67Å; D797-K800 PolarHBondContact OD1-NZ 3.32Å; D797-K800 IonicContact OD2-NZ 2.72Å; Y798-K800 VanDerWaalsContact C-N 3.28Å; Y798-K800 PolarHBondContact O-N 3.4Å; K800-F802 PolarHBondContact O-N 3.01Å; K800-F802 VanDerWaalsContact O-N 3.11Å; K800-I803 PolarHBondContact O-N 3.19Å; K800-I803 VanDerWaalsContact O-N 3.13Å
801	R	71.7	Confident	59.3	Low	40 Å²	40	78 Å²	78	15%	0.151	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-64.1	-18.2	-174.9	-63	177.5	-176.1	170	-4.2	114.4	R796 Y798 G799 R888 L889 P890	R796-R801 PolarHBondContact O-NH2 3.19Å; Y798-R801 WeakPolarHBondContact O-CB 3.43Å; Y798-R801 PolarHBondContact O-N 2.99Å; G799-R801 VanDerWaalsContact C-N 3.31Å; G799-R801 PolarHBondContact O-N 3.35Å; R801-R888 PolarHBondContact NH2-O 3.37Å; R801-L889 HydrophobicContact CG-CD2 4.4Å; R801-P890 VanDerWaalsContact NH2-CD 3.29Å
802	F	69.4	Low	57.2	Low	33 Å²	33	83.5 Å²	83.5	15%	0.145	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-107.5	12.8	-177.7	-58.6	-88.1	0	0	0	112.7	Y628 I714 D715 Y798 K800	Y628-F802 HydrophobicContact CD2-CB 3.75Å; Y628-F802 HydrophobicContact CD2-CG 4.49Å; Y628-F802 HydrophobicContact CE2-CB 3.38Å; Y628-F802 HydrophobicContact CE2-CG 4.09Å; I714-F802 HydrophobicContact CD1-CD2 4.03Å; I714-F802 HydrophobicContact CD1-CE2 4.28Å; I714-F802 HydrophobicContact CG1-CE2 4.48Å; D715-F802 HydrophobicContact CB-CE1 3.89Å; D715-F802 HydrophobicContact CB-CE2 4.49Å; D715-F802 HydrophobicContact CB-CZ 3.51Å; Y798-F802 AromaticContact CD1-CE2 3.9Å; Y798-F802 HydrophobicContact CD1-CE2 3.9Å; Y798-F802 HydrophobicContact CE1-CD2 4.48Å; Y798-F802 AromaticContact CE1-CE2 3.42Å; Y798-F802 HydrophobicContact CE1-CE2 3.42Å; Y798-F802 VanDerWaalsContact CE1-CE2 3.42Å; Y798-F802 AromaticContact CE1-CZ 3.97Å; Y798-F802 HydrophobicContact CE1-CZ 3.97Å; Y798-F802 AromaticContact CZ-CE2 3.99Å; Y798-F802 WeakPolarHBondContact O-CD2 3.43Å; K800-F802 PolarHBondContact O-N 3.01Å; K800-F802 VanDerWaalsContact O-N 3.11Å
803	I	60.9	Low	54.9	Low	54 Å²	54	90.9 Å²	90.9	28%	0.277	46%	0.464	S	S	.	.			trans	-105.7	112.9	175.8	-56.1	177.3	0	0	0	106.9	V627 A631 K800 L805	V627-I803 HydrophobicContact CB-CD1 3.83Å; V627-I803 HydrophobicContact CG1-CD1 3.21Å; V627-I803 WeakPolarHBondContact O-CD1 3.37Å; A631-I803 HydrophobicContact CB-CD1 4.08Å; A631-I803 HydrophobicContact CB-CG1 3.98Å; K800-I803 PolarHBondContact O-N 3.19Å; K800-I803 VanDerWaalsContact O-N 3.13Å; I803-L805 PolarHBondContact O-N 3.43Å
804	V	48.8	Very low	52.5	Low	106 Å²	106	88.1 Å²	88.1	64%	0.642	47%	0.468	S	S	*	.			trans	-77.9	113	171.1	-178.8	0	0	0	0	106.9	T719 I806	T719-V804 HydrophobicContact CG2-CG2 4.34Å; V804-I806 PolarHBondContact O-N 2.84Å; V804-I806 VanDerWaalsContact O-N 3.1Å
805	L	36.9	Very low	49.7	Very low	127 Å²	127	93.8 Å²	93.8	67%	0.665	50%	0.496	S	S	*	.			trans	-62.3	110.2	170.7	-95.6	111.9	0	0	0	108.7	I803 F807	I803-L805 PolarHBondContact O-N 3.43Å; L805-F807 PolarHBondContact O-N 3.41Å
806	I	34.1	Very low	47.1	Very low	151 Å²	151	98.6 Å²	98.6	77%	0.774	52%	0.522	S	S	*	.			trans	-76.5	107.9	167	-63.3	173.8	0	0	0	106.5	V804	V804-I806 PolarHBondContact O-N 2.84Å; V804-I806 VanDerWaalsContact O-N 3.1Å
807	F	29	Very low	44.6	Very low	139 Å²	139	103.1 Å²	103.1	61%	0.61	54%	0.544	S	S	*	.			trans	-75.5	120.5	168.1	-84.6	-88.6	0	0	0	109.5	L805 I809	L805-F807 PolarHBondContact O-N 3.41Å; F807-I809 HydrophobicContact CB-CG1 4.31Å; F807-I809 PolarHBondContact O-N 3.2Å
808	V	25.5	Very low	42.3	Very low	107 Å²	107	104.9 Å²	104.9	65%	0.648	55%	0.552	S	S	*	*			trans	-81.6	100.3	164.1	177.4	0	0	0	0	106.7
809	I	32.9	Very low	39.9	Very low	120 Å²	120	107.6 Å²	107.6	62%	0.615	57%	0.574	S	S	*	*			trans	-95.5	120.4	170.9	-63.5	174.3	0	0	0	108.2	F807 G811	F807-I809 HydrophobicContact CB-CG1 4.31Å; F807-I809 PolarHBondContact O-N 3.2Å; I809-G811 PolarHBondContact O-N 3.26Å
810	N	35	Very low	37.8	Very low	151 Å²	151	112.8 Å²	112.8	81%	0.807	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	59.6	43.6	167.5	-61.2	-18.4	0	0	0	116.9	K812	N810-K812 PolarHBondContact O-N 2.97Å
811	G	31.1	Very low	35.7	Very low	75 Å²	75	115.6 Å²	115.6	77%	0.773	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.1	5.5	163.9	0	0	0	0	0	116	I809	I809-G811 PolarHBondContact O-N 3.26Å
812	K	32.4	Very low	33.6	Very low	169 Å²	169	121.7 Å²	121.7	74%	0.735	64%	0.643	S	S	*	*			trans	-110.3	112.3	173.8	-76.7	-173.1	176.4	-179.2	0	109.8	N810 S814	N810-K812 PolarHBondContact O-N 2.97Å; K812-S814 PolarHBondContact O-N 2.63Å
813	L	26.8	Very low	31.9	Very low	154 Å²	154	125.1 Å²	125.1	81%	0.806	66%	0.662	S	S	*	*			trans	-65.9	71	171.6	-159.7	88.3	0	0	0	109.5	L815	L813-L815 PolarHBondContact O-N 3.4Å; L813-L815 VanDerWaalsContact O-N 3.14Å
814	S	26.8	Very low	30.5	Very low	93 Å²	93	130.7 Å²	130.7	65%	0.65	68%	0.684	S	S	*	*			trans	-81.2	96.6	176.1	52.6	0	0	0	0	109	K812 L816	K812-S814 PolarHBondContact O-N 2.63Å; S814-L816 PolarHBondContact O-N 2.77Å
815	L	24.2	Very low	29.6	Very low	139 Å²	139	130.8 Å²	130.8	73%	0.728	68%	0.678	S	S	*	*			trans	-63.8	72.9	163.4	-82.7	155.1	0	0	0	108.8	L813 F817	L813-L815 PolarHBondContact O-N 3.4Å; L813-L815 VanDerWaalsContact O-N 3.14Å; L815-F817 VanDerWaalsContact C-N 3.28Å; L815-F817 HydrophobicContact CB-CE2 4.49Å; L815-F817 PolarHBondContact O-N 3.1Å
816	L	25.4	Very low	29.4	Very low	138 Å²	138	133.3 Å²	133.3	72%	0.723	68%	0.68	S	S	*	*			trans	-72.7	94.9	166.9	-106.7	146.2	0	0	0	107	S814 I818	S814-L816 PolarHBondContact O-N 2.77Å; L816-I818 HydrophobicContact CB-CG1 4.48Å; L816-I818 PolarHBondContact O-N 2.79Å
817	F	24.1	Very low	29.6	Very low	187 Å²	187	135.8 Å²	135.8	82%	0.82	68%	0.679	S	S	*	*			trans	-54.3	82.6	163.3	-81	-96.2	0	0	0	108.7	L815 S819	L815-F817 VanDerWaalsContact C-N 3.28Å; L815-F817 HydrophobicContact CB-CE2 4.49Å; L815-F817 PolarHBondContact O-N 3.1Å; F817-S819 PolarHBondContact O-N 3.43Å
818	I	25.8	Very low	30.4	Very low	104 Å²	104	135 Å²	135	53%	0.533	68%	0.681	S	S	.	*			trans	-83.3	96.1	165.9	-55.7	178.7	0	0	0	104.8	L816 R822	L816-I818 HydrophobicContact CB-CG1 4.48Å; L816-I818 PolarHBondContact O-N 2.79Å; I818-R822 HydrophobicContact CG2-CB 3.46Å; I818-R822 VanDerWaalsContact CG2-CB 3.46Å; I818-R822 HydrophobicContact CG2-CG 4.49Å
819	S	28.5	Very low	31.9	Very low	74 Å²	74	135.6 Å²	135.6	52%	0.517	67%	0.674	S	S	.	*			trans	-46.9	142.7	173.7	63.8	0	0	0	0	110	F817 E821 R822	F817-S819 PolarHBondContact O-N 3.43Å; S819-E821 PolarHBondContact O-N 2.92Å; S819-R822 PolarHBondContact O-N 3.22Å
820	T	30.4	Very low	33.7	Very low	109 Å²	109	135.2 Å²	135.2	67%	0.669	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	-10.8	-174.8	33.1	0	0	0	0	114.6
821	E	30.2	Very low	36.2	Very low	158 Å²	158	129.2 Å²	129.2	74%	0.738	64%	0.637	S	S	*	*	H	α-helix	trans	-72.9	-29.8	171.5	-68.6	-167.7	151	0	0	113.5	S819 H825	S819-E821 PolarHBondContact O-N 2.92Å; E821-H825 PolarHBondContact O-N 2.81Å
822	R	27.5	Very low	39.1	Very low	167 Å²	167	128.2 Å²	128.2	63%	0.63	61%	0.611	S	S	*	*	H	α-helix	trans	-81.7	-18.3	179.7	-92.7	-173.4	-175.9	-162.8	3.4	114.7	I818 S819 H825 Y826	I818-R822 HydrophobicContact CG2-CB 3.46Å; I818-R822 VanDerWaalsContact CG2-CB 3.46Å; I818-R822 HydrophobicContact CG2-CG 4.49Å; S819-R822 PolarHBondContact O-N 3.22Å; R822-H825 CarbonylContact O-C 3.53Å; R822-H825 PolarHBondContact O-N 3.28Å; R822-Y826 WeakPolarHBondContact O-CB 3.49Å; R822-Y826 PolarHBondContact O-N 3.11Å
823	I	34.2	Very low	42.1	Very low	105 Å²	105	120.2 Å²	120.2	54%	0.538	58%	0.576	S	S	.	*	H	α-helix	trans	-74.6	-33.3	173.5	-65.2	178.3	0	0	0	111.3	H825 R827	I823-H825 VanDerWaalsContact C-N 3.26Å; I823-H825 PolarHBondContact O-N 2.87Å; I823-R827 PolarHBondContact O-N 2.88Å
824	K	30.4	Very low	45.4	Very low	171 Å²	171	112.9 Å²	112.9	74%	0.743	54%	0.538	S	S	*	.	H	α-helix	trans	-65.2	-33.4	166.1	-85.4	-175.7	176	178.2	0	111.6	L828	K824-L828 WeakPolarHBondContact O-CD1 3.39Å
825	H	31.2	Very low	48.7	Very low	109 Å²	109	108.6 Å²	108.6	51%	0.505	51%	0.508	S	S	.	.	H	α-helix	trans	-82.1	-31.8	-177.9	-127.1	63.5	0	0	0	114.7	E821 R822 I823 L828 K829	E821-H825 PolarHBondContact O-N 2.81Å; R822-H825 CarbonylContact O-C 3.53Å; R822-H825 PolarHBondContact O-N 3.28Å; I823-H825 VanDerWaalsContact C-N 3.26Å; I823-H825 PolarHBondContact O-N 2.87Å; H825-L828 PolarHBondContact O-N 3.33Å; H825-K829 PolarHBondContact O-N 3.35Å
826	Y	33.1	Very low	52	Low	180 Å²	180	103.1 Å²	103.1	71%	0.706	48%	0.477	S	S	*	.	H	α-helix	trans	-80.3	-32.3	-180	-121.4	-86.7	0	0	0	113.1	R822 L828 K829	R822-Y826 WeakPolarHBondContact O-CB 3.49Å; R822-Y826 PolarHBondContact O-N 3.11Å; Y826-L828 PolarHBondContact O-N 3.14Å; Y826-L828 VanDerWaalsContact O-N 3.12Å; Y826-K829 PolarHBondContact O-N 3.28Å
827	R	37.3	Very low	55.1	Low	202 Å²	202	97.1 Å²	97.1	76%	0.762	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-12.2	170.5	-103	-173.1	175	170.9	1.1	113.5	I823	I823-R827 PolarHBondContact O-N 2.88Å
828	L	46.2	Very low	58.3	Low	123 Å²	123	94.1 Å²	94.1	64%	0.644	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109	-7.4	-177.5	-74.9	171.7	0	0	0	115	K824 H825 Y826	K824-L828 WeakPolarHBondContact O-CD1 3.39Å; H825-L828 PolarHBondContact O-N 3.33Å; Y826-L828 PolarHBondContact O-N 3.14Å; Y826-L828 VanDerWaalsContact O-N 3.12Å
829	K	55.7	Low	61.2	Low	119 Å²	119	90.9 Å²	90.9	52%	0.517	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-35.4	-177	-81	-167.8	174.2	-173.1	0	115.4	H825 Y826 P856	H825-K829 PolarHBondContact O-N 3.35Å; Y826-K829 PolarHBondContact O-N 3.28Å; K829-P856 WeakPolarHBondContact O-CB 3.43Å
830	H	72.6	Confident	63.9	Low	112 Å²	112	90.3 Å²	90.3	52%	0.519	40%	0.4	S	S	.	.			trans	-147.6	133.7	177.4	-65.8	89.4	0	0	0	112.6	P856	H830-P856 CarbonylContact C-O 3.59Å; H830-P856 WeakPolarHBondContact CA-O 3.3Å
831	F	86.5	Confident	66.2	Low	26 Å²	26	92.3 Å²	92.3	11%	0.114	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	110.4	173.9	-57.9	-57.4	0	0	0	109.3	P856 C857 E858 K870 M1117	F831-P856 WeakPolarHBondContact CB-O 3.28Å; F831-P856 HydrophobicContact CD2-CB 4.37Å; F831-P856 HydrophobicContact CD2-CG 3.86Å; F831-P856 VanDerWaalsContact CD2-O 3.25Å; F831-P856 WeakPolarHBondContact CD2-O 3.03Å; F831-P856 HydrophobicContact CE2-CB 4.46Å; F831-P856 HydrophobicContact CE2-CG 3.74Å; F831-P856 PolarHBondContact N-O 3.12Å; F831-C857 VanDerWaalsContact O-CA 3.28Å; F831-C857 WeakPolarHBondContact O-CA 3.31Å; F831-E858 PolarHBondContact O-N 3.26Å; F831-K870 HydrophobicContact CB-CB 4.24Å; F831-K870 HydrophobicContact CB-CD 4.16Å; F831-K870 HydrophobicContact CD1-CB 4.45Å; F831-K870 HydrophobicContact CD1-CD 3.23Å; F831-K870 HydrophobicContact CD1-CG 4.44Å; F831-K870 HydrophobicContact CE1-CD 3.72Å; F831-K870 VanDerWaalsContact CE1-NZ 3.31Å; F831-K870 HydrophobicContact CG-CD 3.78Å; F831-M1117 HydrophobicContact CD2-CG 3.81Å; F831-M1117 HydrophobicContact CE2-CB 4.22Å; F831-M1117 HydrophobicContact CE2-CG 3.57Å
832	K	91.9	Very high	68.6	Low	54 Å²	54	91.7 Å²	91.7	24%	0.235	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	134.9	176	-68.4	-175.5	172.6	-169.1	0	111.2	E858 T860 E865 S869 K870 A871	K832-E858 CarbonylContact C-O 3.57Å; K832-E858 WeakPolarHBondContact CA-O 3.37Å; K832-T860 HydrophobicContact CB-CG2 4.39Å; K832-E865 WeakPolarHBondContact CD-OE2 3.34Å; K832-E865 IonicContact NZ-OE1 3.63Å; K832-E865 PolarHBondContact NZ-OE1 2.85Å; K832-E865 IonicContact NZ-OE2 2.9Å; K832-E865 PolarHBondContact NZ-OE2 2.91Å; K832-S869 CarbonylContact O-C 3.56Å; K832-S869 WeakPolarHBondContact O-CA 3.32Å; K832-K870 PolarHBondContact O-N 3.14Å; K832-A871 PolarHBondContact O-N 2.79Å
833	I	95.6	Very high	71.6	Confident	0 Å²	0	88.5 Å²	88.5	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	106.2	174.3	-54.4	-180	0	0	0	107	M835 F849 C857 E858 L859 T860 A871 V873 L1112 L1116	I833-M835 PolarHBondContact O-N 3.48Å; I833-F849 HydrophobicContact CD1-CZ 4.12Å; I833-C857 HydrophobicContact CD1-CB 4.26Å; I833-E858 PolarHBondContact N-O 2.96Å; I833-L859 HydrophobicContact CB-CD2 3.77Å; I833-L859 HydrophobicContact CD1-CD2 4.13Å; I833-L859 HydrophobicContact CG1-CD2 4.43Å; I833-L859 HydrophobicContact CG2-CD2 4.02Å; I833-L859 WeakPolarHBondContact O-CA 3Å; I833-T860 PolarHBondContact O-N 2.84Å; I833-A871 WeakPolarHBondContact CA-O 3.47Å; I833-A871 HydrophobicContact CG2-CB 4.39Å; I833-V873 HydrophobicContact CG2-CG2 3.65Å; I833-L1112 HydrophobicContact CD1-CD2 3.98Å; I833-L1112 HydrophobicContact CD1-CG 4.14Å; I833-L1112 HydrophobicContact CG2-CD2 4.41Å; I833-L1116 HydrophobicContact CD1-CD1 3.73Å; I833-L1116 HydrophobicContact CG1-CD1 3.75Å
834	L	95.8	Very high	74.5	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	115.2	179.1	175.1	59.7	0	0	0	110.4	W836 T860 D862 Y866 A871 V872 V873	L834-W836 HydrophobicContact CD2-CE3 3.87Å; L834-W836 HydrophobicContact CD2-CZ3 4.06Å; L834-W836 PolarHBondContact O-N 3.18Å; L834-W836 VanDerWaalsContact O-N 3.11Å; L834-T860 CarbonylContact C-O 3.58Å; L834-T860 WeakPolarHBondContact CA-O 3.38Å; L834-T860 HydrophobicContact CB-CG2 4.17Å; L834-T860 HydrophobicContact CD1-CG2 4.1Å; L834-D862 WeakPolarHBondContact CD1-O 3.3Å; L834-Y866 HydrophobicContact CD2-CD2 4.07Å; L834-Y866 HydrophobicContact CD2-CG 4.47Å; L834-A871 PolarHBondContact N-O 2.79Å; L834-V872 HydrophobicContact CB-CG1 4.48Å; L834-V872 HydrophobicContact CB-CG2 4.31Å; L834-V872 HydrophobicContact CD2-CG1 4.4Å; L834-V872 HydrophobicContact CD2-CG2 4.43Å; L834-V872 HydrophobicContact CG-CG1 4.36Å; L834-V872 CarbonylContact O-C 3.5Å; L834-V872 WeakPolarHBondContact O-CA 3.49Å; L834-V873 PolarHBondContact O-N 2.9Å
835	M	95.7	Very high	77.4	Confident	4 Å²	4	79.7 Å²	79.7	2%	0.02	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	92.8	171.4	-59.5	-59.7	-53.9	0	0	108.9	I833 T837 F844 L859 T860 Y861 V873	I833-M835 PolarHBondContact O-N 3.48Å; M835-T837 PolarHBondContact O-N 3.34Å; M835-F844 HydrophobicContact CE-CD2 3.66Å; M835-F844 HydrophobicContact CE-CE2 4.33Å; M835-L859 HydrophobicContact SD-CD2 4.35Å; M835-T860 PolarHBondContact N-O 2.98Å; M835-Y861 HydrophobicContact CB-CD1 3.63Å; M835-Y861 HydrophobicContact CB-CD2 4.09Å; M835-Y861 HydrophobicContact CB-CE1 3.27Å; M835-Y861 HydrophobicContact CB-CE2 3.75Å; M835-Y861 HydrophobicContact CB-CG 4.03Å; M835-Y861 HydrophobicContact CG-CD2 4.39Å; M835-Y861 HydrophobicContact CG-CE1 4.18Å; M835-Y861 HydrophobicContact CG-CE2 3.82Å; M835-Y861 VanDerWaalsContact O-CD1 3.29Å; M835-Y861 WeakPolarHBondContact O-CD1 3.23Å; M835-V873 HydrophobicContact CE-CB 3.9Å; M835-V873 HydrophobicContact CE-CG1 3.82Å; M835-V873 HydrophobicContact SD-CB 3.81Å; M835-V873 HydrophobicContact SD-CG1 4.29Å; M835-V873 HydrophobicContact SD-CG2 3.94Å
836	W	93.8	Very high	80.3	Confident	24 Å²	24	78 Å²	78	9%	0.091	35%	0.345	C	S	.	.			trans	-64.4	-30.4	-175.8	-166.3	-80.8	0	0	0	112.4	L834 R863 Y866 V872 V873 F874 D883 P885	L834-W836 HydrophobicContact CD2-CE3 3.87Å; L834-W836 HydrophobicContact CD2-CZ3 4.06Å; L834-W836 PolarHBondContact O-N 3.18Å; L834-W836 VanDerWaalsContact O-N 3.11Å; W836-R863 VanDerWaalsContact C-NH1 3.33Å; W836-R863 VanDerWaalsContact CE2-CZ 3.45Å; W836-R863 VanDerWaalsContact CE3-NH1 3.28Å; W836-R863 VanDerWaalsContact NE1-NH2 3.16Å; W836-R863 PolarHBondContact O-NH1 2.77Å; W836-R863 PolarHBondContact O-NH2 2.62Å; W836-Y866 HydrophobicContact CE3-CD2 4.2Å; W836-Y866 AromaticContact CZ3-CD2 3.56Å; W836-Y866 HydrophobicContact CZ3-CD2 3.56Å; W836-Y866 AromaticContact CZ3-CE2 3.98Å; W836-Y866 HydrophobicContact CZ3-CE2 3.98Å; W836-Y866 HydrophobicContact CZ3-CG 4.09Å; W836-V872 HydrophobicContact CB-CG1 3.57Å; W836-V872 HydrophobicContact CD2-CG1 4.16Å; W836-V872 HydrophobicContact CE3-CG1 3.65Å; W836-V872 HydrophobicContact CG-CG1 4.19Å; W836-V873 WeakPolarHBondContact CB-O 3.44Å; W836-V873 PolarHBondContact N-O 3.44Å; W836-F874 HydrophobicContact CB-CD1 3.64Å; W836-F874 HydrophobicContact CB-CD2 4.39Å; W836-F874 HydrophobicContact CB-CE1 3.57Å; W836-F874 HydrophobicContact CB-CE2 4.31Å; W836-F874 HydrophobicContact CB-CG 4.06Å; W836-F874 HydrophobicContact CB-CZ 3.9Å; W836-F874 AromaticContact CD1-CD1 3.53Å; W836-F874 AromaticContact CD1-CE1 3.29Å; W836-F874 HydrophobicContact CD2-CD1 4.43Å; W836-F874 AromaticContact CD2-CE1 3.55Å; W836-F874 HydrophobicContact CD2-CE1 3.55Å; W836-F874 AromaticContact CD2-CZ 3.84Å; W836-F874 HydrophobicContact CD2-CZ 3.84Å; W836-F874 HydrophobicContact CE3-CE1 4.38Å; W836-F874 HydrophobicContact CE3-CZ 4.22Å; W836-F874 AromaticContact CG-CD1 3.55Å; W836-F874 HydrophobicContact CG-CD1 3.55Å; W836-F874 AromaticContact CG-CE1 3.11Å; W836-F874 HydrophobicContact CG-CE1 3.11Å; W836-F874 HydrophobicContact CG-CG 4.43Å; W836-F874 AromaticContact CG-CZ 3.7Å; W836-F874 HydrophobicContact CG-CZ 3.7Å; W836-F874 AromaticContact NE1-CE1 3.83Å; W836-D883 WeakPolarHBondContact CZ2-O 3.46Å; W836-D883 PolarHBondContact NE1-OD2 2.97Å; W836-P885 HydrophobicContact CD2-CG 4.5Å; W836-P885 HydrophobicContact CE3-CG 4.15Å; W836-P885 HydrophobicContact CH2-CG 3.62Å; W836-P885 HydrophobicContact CZ2-CG 4.03Å; W836-P885 HydrophobicContact CZ3-CG 3.68Å
837	T	91.2	Very high	83	Confident	11 Å²	11	72.9 Å²	72.9	7%	0.067	34%	0.335	C	S	.	.	S	Bend	trans	-132	159.7	177.3	61.5	0	0	0	0	109.8	M835 H875 N878 I879	M835-T837 PolarHBondContact O-N 3.34Å; T837-H875 WeakPolarHBondContact OG1-CB 3.35Å; T837-H875 PolarHBondContact OG1-N 3.08Å; T837-N878 HydrophobicContact CG2-CB 4.11Å; T837-I879 HydrophobicContact CG2-CG1 4.41Å
838	R	90.2	Very high	85.7	Confident	124 Å²	124	63.7 Å²	63.7	47%	0.468	30%	0.301	S	S	.	.			trans	-70.8	161.7	165.1	-61	-174.8	-169.9	-175.9	2.9	110.3	F840 K843 Y861 H875 N878	R838-F840 VanDerWaalsContact CB-O 3.27Å; R838-F840 WeakPolarHBondContact CB-O 3.16Å; R838-K843 HydrophobicContact CG-CG 4.1Å; R838-Y861 HydrophobicContact CG-CE1 4.39Å; R838-H875 WeakPolarHBondContact O-CB 3.42Å; R838-N878 PolarHBondContact O-OD1 3.33Å
839	F	86.5	Confident	88	Confident	37 Å²	37	58.4 Å²	58.4	16%	0.162	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-91.9	94.9	167.5	176.9	-129.4	0	0	0	108.2	D841 W842 F844 H875 F897 K899	F839-D841 PolarHBondContact O-N 3.16Å; F839-D841 VanDerWaalsContact O-N 3.12Å; F839-W842 PolarHBondContact N-O 2.63Å; F839-W842 WeakPolarHBondContact O-CB 3.27Å; F839-W842 PolarHBondContact O-N 3.46Å; F839-F844 HydrophobicContact CB-CE2 3.84Å; F839-F844 HydrophobicContact CB-CZ 4.27Å; F839-F844 HydrophobicContact CD1-CZ 4.18Å; F839-F844 HydrophobicContact CG-CE2 4.39Å; F839-F844 HydrophobicContact CG-CZ 4.41Å; F839-H875 AromaticContact CD2-CD2 3.44Å; F839-H875 VanDerWaalsContact CD2-CD2 3.44Å; F839-H875 WeakPolarHBondContact CD2-CD2 3.25Å; F839-H875 AromaticContact CD2-CE1 3.92Å; F839-H875 AromaticContact CD2-CG 3.99Å; F839-H875 AromaticContact CD2-NE2 3.41Å; F839-H875 WeakPolarHBondContact CD2-NE2 3.09Å; F839-H875 AromaticContact CE2-CD2 3.81Å; F839-H875 AromaticContact CE2-NE2 3.42Å; F839-H875 WeakPolarHBondContact CE2-NE2 3.45Å; F839-F897 HydrophobicContact CB-CE1 3.93Å; F839-F897 HydrophobicContact CD1-CE1 4.33Å; F839-F897 HydrophobicContact CD2-CD1 4.23Å; F839-F897 AromaticContact CD2-CE1 3.37Å; F839-F897 HydrophobicContact CD2-CE1 3.37Å; F839-F897 AromaticContact CD2-CZ 3.96Å; F839-F897 HydrophobicContact CD2-CZ 3.96Å; F839-F897 AromaticContact CE2-CE1 3.91Å; F839-F897 HydrophobicContact CE2-CE1 3.91Å; F839-F897 HydrophobicContact CE2-CZ 4.04Å; F839-F897 AromaticContact CG-CE1 3.62Å; F839-F897 HydrophobicContact CG-CE1 3.62Å; F839-F897 HydrophobicContact CG-CZ 4.24Å; F839-F897 HydrophobicContact CZ-CZ 4.4Å; F839-K899 HydrophobicContact CE1-CD 4.48Å; F839-K899 HydrophobicContact CZ-CB 4.24Å; F839-K899 HydrophobicContact CZ-CD 4.07Å; F839-K899 HydrophobicContact CZ-CG 4.21Å
840	F	86.1	Confident	89.7	Confident	62 Å²	62	57.4 Å²	57.4	27%	0.272	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	-114.7	-162.6	-56.4	-79.6	0	0	0	109.6	R838 H875 F877 N878 E900	R838-F840 VanDerWaalsContact CB-O 3.27Å; R838-F840 WeakPolarHBondContact CB-O 3.16Å; F840-H875 AromaticContact CE1-CE1 3.86Å; F840-H875 AromaticContact CE2-CE1 3.81Å; F840-H875 AromaticContact CE2-NE2 3.91Å; F840-H875 AromaticContact CZ-CE1 3.74Å; F840-F877 HydrophobicContact CD1-CB 4.44Å; F840-F877 AromaticContact CD1-CD1 3.83Å; F840-F877 HydrophobicContact CD1-CD1 3.83Å; F840-F877 HydrophobicContact CD1-CE1 4.2Å; F840-F877 HydrophobicContact CD1-CG 4.03Å; F840-F877 HydrophobicContact CE1-CB 4.19Å; F840-F877 HydrophobicContact CE1-CD1 4.18Å; F840-F877 HydrophobicContact CE1-CD2 4.11Å; F840-F877 AromaticContact CE1-CG 3.9Å; F840-F877 HydrophobicContact CE1-CG 3.9Å; F840-N878 PolarHBondContact N-OD1 2.79Å; F840-E900 HydrophobicContact CE2-CG 4.46Å; F840-E900 HydrophobicContact CZ-CG 3.79Å
841	D	78.4	Confident	90.6	Very high	150 Å²	150	56 Å²	56	80%	0.802	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-4.2	177.3	-59.2	-46.5	0	0	0	113.3	F839	F839-D841 PolarHBondContact O-N 3.16Å; F839-D841 VanDerWaalsContact O-N 3.12Å
842	W	82.1	Confident	90.9	Very high	145 Å²	145	55.9 Å²	55.9	55%	0.549	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-94.1	143.7	-171.3	-141.1	73.7	0	0	0	113	F839 F844	F839-W842 PolarHBondContact N-O 2.63Å; F839-W842 WeakPolarHBondContact O-CB 3.27Å; F839-W842 PolarHBondContact O-N 3.46Å; W842-F844 AromaticContact CE3-CD1 3.97Å; W842-F844 HydrophobicContact CE3-CD1 3.97Å; W842-F844 HydrophobicContact CE3-CE1 4Å; W842-F844 AromaticContact CZ3-CD1 3.66Å; W842-F844 HydrophobicContact CZ3-CD1 3.66Å; W842-F844 AromaticContact CZ3-CE1 3.88Å; W842-F844 HydrophobicContact CZ3-CE1 3.88Å
843	K	90.4	Very high	90.6	Very high	100 Å²	100	58 Å²	58	44%	0.435	28%	0.282	S	S	.	.			trans	-112.5	132.3	174.8	-72.7	-172.5	177.1	-174.9	0	110.4	R838 Y861	R838-K843 HydrophobicContact CG-CG 4.1Å; K843-Y861 WeakPolarHBondContact CA-OH 3.5Å; K843-Y861 HydrophobicContact CB-CE2 4.06Å; K843-Y861 HydrophobicContact CD-CE2 4.44Å; K843-Y861 HydrophobicContact CG-CE1 4.19Å; K843-Y861 HydrophobicContact CG-CE2 4.25Å
844	F	93.1	Very high	90.2	Very high	7 Å²	7	65.5 Å²	65.5	3%	0.031	32%	0.322	C	S	.	.			trans	-78.2	160.7	168.2	-65	-66.4	0	0	0	110.5	M835 F839 W842 Q848 L859 Y861 F897 M929 F1109	M835-F844 HydrophobicContact CE-CD2 3.66Å; M835-F844 HydrophobicContact CE-CE2 4.33Å; F839-F844 HydrophobicContact CB-CE2 3.84Å; F839-F844 HydrophobicContact CB-CZ 4.27Å; F839-F844 HydrophobicContact CD1-CZ 4.18Å; F839-F844 HydrophobicContact CG-CE2 4.39Å; F839-F844 HydrophobicContact CG-CZ 4.41Å; W842-F844 AromaticContact CE3-CD1 3.97Å; W842-F844 HydrophobicContact CE3-CD1 3.97Å; W842-F844 HydrophobicContact CE3-CE1 4Å; W842-F844 AromaticContact CZ3-CD1 3.66Å; W842-F844 HydrophobicContact CZ3-CD1 3.66Å; W842-F844 AromaticContact CZ3-CE1 3.88Å; W842-F844 HydrophobicContact CZ3-CE1 3.88Å; F844-Q848 HydrophobicContact CB-CG 4.2Å; F844-Q848 HydrophobicContact CD1-CG 3.84Å; F844-Q848 VanDerWaalsContact CD1-NE2 3.3Å; F844-Q848 HydrophobicContact CG-CG 4.42Å; F844-L859 HydrophobicContact CB-CD1 3.63Å; F844-Y861 PolarHBondContact N-OH 3.02Å; F844-Y861 VanDerWaalsContact O-CE2 3.32Å; F844-Y861 WeakPolarHBondContact O-CE2 3.26Å; F844-F897 HydrophobicContact CE2-CD1 4.4Å; F844-F897 AromaticContact CE2-CE1 3.72Å; F844-F897 HydrophobicContact CE2-CE1 3.72Å; F844-F897 HydrophobicContact CE2-CZ 4.27Å; F844-F897 HydrophobicContact CZ-CE1 4.04Å; F844-F897 HydrophobicContact CZ-CZ 4.16Å; F844-M929 HydrophobicContact CZ-CE 4.49Å; F844-F1109 HydrophobicContact CB-CZ 4.25Å; F844-F1109 AromaticContact CD1-CE2 3.92Å; F844-F1109 HydrophobicContact CD1-CE2 3.92Å; F844-F1109 HydrophobicContact CD1-CZ 4.09Å; F844-F1109 HydrophobicContact CD2-CE2 4.46Å; F844-F1109 AromaticContact CD2-CZ 3.89Å; F844-F1109 HydrophobicContact CD2-CZ 3.89Å; F844-F1109 HydrophobicContact CE1-CE2 4.07Å; F844-F1109 HydrophobicContact CE1-CZ 4.43Å; F844-F1109 HydrophobicContact CE2-CZ 4.22Å; F844-F1109 HydrophobicContact CG-CE2 4.13Å; F844-F1109 AromaticContact CG-CZ 3.81Å; F844-F1109 HydrophobicContact CG-CZ 3.81Å; F844-F1109 HydrophobicContact CZ-CE2 4.39Å; F844-F1109 HydrophobicContact CZ-CZ 4.48Å
845	N	92.4	Very high	89.7	Confident	84 Å²	84	66.9 Å²	66.9	45%	0.449	33%	0.33	S	S	.	.			trans	-147.1	178.2	174.9	64.1	37.5	0	0	0	109.4	S847 Q848	N845-S847 PolarHBondContact O-N 3.05Å; N845-S847 WeakPolarHBondContact OD1-CB 3.37Å; N845-S847 PolarHBondContact OD1-N 2.86Å; N845-S847 PolarHBondContact OD1-OG 3.44Å; N845-Q848 WeakPolarHBondContact O-CB 3.47Å; N845-Q848 WeakPolarHBondContact O-CG 3.29Å; N845-Q848 PolarHBondContact O-N 2.69Å
846	N	91.5	Very high	89.4	Confident	74 Å²	74	67.9 Å²	67.9	40%	0.396	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-63.5	-12.4	-175.9	-66.4	-28.5	0	0	0	114.6	Q848 F849 E858 L859	N846-Q848 PolarHBondContact O-N 3.34Å; N846-Q848 VanDerWaalsContact O-N 3.15Å; N846-F849 PolarHBondContact O-N 3.2Å; N846-E858 WeakPolarHBondContact ND2-CG 3.43Å; N846-L859 PolarHBondContact OD1-N 3.44Å
847	S	91.3	Very high	89.4	Confident	72 Å²	72	67.2 Å²	67.2	50%	0.503	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-63.5	-16.1	169.8	75.6	0	0	0	0	112.9	N845 F849 R850	N845-S847 PolarHBondContact O-N 3.05Å; N845-S847 WeakPolarHBondContact OD1-CB 3.37Å; N845-S847 PolarHBondContact OD1-N 2.86Å; N845-S847 PolarHBondContact OD1-OG 3.44Å; S847-F849 PolarHBondContact O-N 2.97Å; S847-R850 VanDerWaalsContact O-CB 3.27Å; S847-R850 WeakPolarHBondContact O-CB 3.29Å; S847-R850 WeakPolarHBondContact O-CG 3.35Å; S847-R850 PolarHBondContact O-N 3.06Å
848	Q	92.8	Very high	89.5	Confident	9 Å²	9	70.1 Å²	70.1	4%	0.042	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-64.3	-14.9	170.5	-67.6	-63.2	-6.8	0	0	113	F844 N845 N846 L859 S1106 F1109	F844-Q848 HydrophobicContact CB-CG 4.2Å; F844-Q848 HydrophobicContact CD1-CG 3.84Å; F844-Q848 VanDerWaalsContact CD1-NE2 3.3Å; F844-Q848 HydrophobicContact CG-CG 4.42Å; N845-Q848 WeakPolarHBondContact O-CB 3.47Å; N845-Q848 WeakPolarHBondContact O-CG 3.29Å; N845-Q848 PolarHBondContact O-N 2.69Å; N846-Q848 PolarHBondContact O-N 3.34Å; N846-Q848 VanDerWaalsContact O-N 3.15Å; Q848-L859 HydrophobicContact CB-CD1 4.34Å; Q848-L859 HydrophobicContact CG-CD1 4.46Å; Q848-S1106 WeakPolarHBondContact O-CA 3.27Å; Q848-S1106 VanDerWaalsContact O-CB 3.24Å; Q848-S1106 WeakPolarHBondContact O-CB 3.4Å; Q848-S1106 PolarHBondContact O-OG 3.29Å; Q848-F1109 HydrophobicContact CB-CB 4.25Å; Q848-F1109 HydrophobicContact CB-CD2 3.65Å; Q848-F1109 HydrophobicContact CB-CE2 4.11Å; Q848-F1109 HydrophobicContact CB-CG 3.92Å; Q848-F1109 HydrophobicContact CG-CD2 3.93Å; Q848-F1109 HydrophobicContact CG-CE2 3.91Å
849	F	94.1	Very high	89.8	Confident	12 Å²	12	64.9 Å²	64.9	5%	0.053	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-95.7	15.3	172.2	-57.9	-68.1	0	0	0	113.5	I833 N846 S847 M851 C852 V855 C857 L859 F1109 C1113	I833-F849 HydrophobicContact CD1-CZ 4.12Å; N846-F849 PolarHBondContact O-N 3.2Å; S847-F849 PolarHBondContact O-N 2.97Å; F849-M851 VanDerWaalsContact C-N 3.26Å; F849-M851 PolarHBondContact O-N 3.41Å; F849-M851 VanDerWaalsContact O-N 3.17Å; F849-C852 CarbonylContact O-C 3.58Å; F849-C852 PolarHBondContact O-N 3.21Å; F849-V855 HydrophobicContact CB-CG2 4.27Å; F849-V855 HydrophobicContact CD1-CG2 3.73Å; F849-V855 HydrophobicContact CE1-CG2 4.33Å; F849-V855 HydrophobicContact CG-CG2 4.12Å; F849-C857 HydrophobicContact CE1-CB 3.92Å; F849-C857 HydrophobicContact CE2-CB 4.1Å; F849-C857 HydrophobicContact CZ-CB 3.62Å; F849-L859 HydrophobicContact CE2-CD2 3.92Å; F849-L859 HydrophobicContact CE2-CG 3.77Å; F849-L859 HydrophobicContact CZ-CD2 3.81Å; F849-L859 HydrophobicContact CZ-CG 4.16Å; F849-F1109 HydrophobicContact CD1-CB 4.13Å; F849-F1109 HydrophobicContact CE1-CB 3.82Å; F849-F1109 WeakPolarHBondContact CE1-O 3.43Å; F849-F1109 HydrophobicContact CZ-CD1 4.46Å; F849-C1113 HydrophobicContact CE1-CB 4.11Å
850	R	91.6	Very high	90.1	Very high	99 Å²	99	64 Å²	64	37%	0.374	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-33.7	-176.8	70.8	-178.7	-163.5	-175.5	3.6	114.9	S847 C852 D1100 R1102 D1103 S1106	S847-R850 VanDerWaalsContact O-CB 3.27Å; S847-R850 WeakPolarHBondContact O-CB 3.29Å; S847-R850 WeakPolarHBondContact O-CG 3.35Å; S847-R850 PolarHBondContact O-N 3.06Å; R850-C852 PolarHBondContact O-N 2.87Å; R850-D1100 IonicContact CZ-OD1 2.73Å; R850-D1100 IonicContact NH2-OD1 3.88Å; R850-D1100 PolarHBondContact NH2-OD1 2.79Å; R850-R1102 VanDerWaalsContact CZ-CB 3.49Å; R850-R1102 VanDerWaalsContact NH2-CB 3.3Å; R850-D1103 IonicContact CZ-OD1 3.79Å; R850-D1103 VanDerWaalsContact CZ-OD1 3.24Å; R850-D1103 IonicContact NE-OD1 3.45Å; R850-D1103 PolarHBondContact NE-OD1 2.64Å; R850-D1103 VanDerWaalsContact NH2-N 3.17Å; R850-D1103 IonicContact NH2-OD1 3.33Å; R850-D1103 PolarHBondContact NH2-OD1 3.06Å; R850-D1103 IonicContact NH2-OD2 2.71Å; R850-S1106 PolarHBondContact N-OG 3.44Å
851	M	91.8	Very high	90.5	Very high	83 Å²	83	63.6 Å²	63.6	41%	0.409	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-4.6	178.3	-68	-163.9	76.7	0	0	113.3	F849 D1103 S1106 L1107	F849-M851 VanDerWaalsContact C-N 3.26Å; F849-M851 PolarHBondContact O-N 3.41Å; F849-M851 VanDerWaalsContact O-N 3.17Å; M851-D1103 HydrophobicContact CE-CB 4.37Å; M851-D1103 VanDerWaalsContact SD-CA 3.51Å; M851-D1103 HydrophobicContact SD-CB 3.38Å; M851-D1103 WeakPolarHBondContact SD-CB 3.47Å; M851-D1103 VanDerWaalsContact SD-CG 3.57Å; M851-S1106 WeakPolarHBondContact CB-OG 3.46Å; M851-S1106 PolarHBondContact N-OG 3.06Å; M851-L1107 HydrophobicContact CB-CD2 4.32Å; M851-L1107 HydrophobicContact CE-CD1 4.39Å; M851-L1107 HydrophobicContact CE-CD2 3.94Å; M851-L1107 HydrophobicContact CE-CG 4.18Å; M851-L1107 HydrophobicContact SD-CD1 4.21Å; M851-L1107 HydrophobicContact SD-CD2 3.85Å; M851-L1107 HydrophobicContact SD-CG 3.62Å
852	C	92.6	Very high	91.1	Very high	22 Å²	22	60 Å²	60	15%	0.149	31%	0.305	C	S	.	.			trans	-147.2	58.3	180	61.8	0	0	0	0	111	F849 R850 N854 V855 C1110	F849-C852 CarbonylContact O-C 3.58Å; F849-C852 PolarHBondContact O-N 3.21Å; R850-C852 PolarHBondContact O-N 2.87Å; C852-N854 PolarHBondContact O-N 2.94Å; C852-V855 HydrophobicContact CB-CG1 3.68Å; C852-V855 HydrophobicContact CB-CG2 4.45Å; C852-V855 VanDerWaalsContact O-CG2 3.31Å; C852-V855 WeakPolarHBondContact O-CG2 3.46Å; C852-V855 PolarHBondContact O-N 2.82Å; C852-C1110 HydrophobicContact CB-CB 3.76Å; C852-C1110 WeakPolarHBondContact CB-SG 3.39Å; C852-C1110 WeakPolarHBondContact SG-CA 3.29Å; C852-C1110 WeakPolarHBondContact SG-CB 3.33Å; C852-C1110 CovalentContact SG-SG 2Å; C852-C1110 PolarHBondContact SG-SG 2.02Å
853	P	87	Confident	91.3	Very high	99 Å²	99	57.5 Å²	57.5	64%	0.643	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-17.2	-171.4	26.7	-36	0	0	0	113.9
854	N	85.6	Confident	91	Very high	158 Å²	158	59.7 Å²	59.7	85%	0.845	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-1.7	180	-60.2	-25.6	0	0	0	113.7	C852	C852-N854 PolarHBondContact O-N 2.94Å
855	V	85.8	Confident	90.6	Very high	29 Å²	29	61.3 Å²	61.3	18%	0.176	32%	0.315	C	S	.	.	S	Bend	trans	-74.4	134.7	177.3	-59	0	0	0	0	109.7	F849 C852 C857 C1113	F849-V855 HydrophobicContact CB-CG2 4.27Å; F849-V855 HydrophobicContact CD1-CG2 3.73Å; F849-V855 HydrophobicContact CE1-CG2 4.33Å; F849-V855 HydrophobicContact CG-CG2 4.12Å; C852-V855 HydrophobicContact CB-CG1 3.68Å; C852-V855 HydrophobicContact CB-CG2 4.45Å; C852-V855 VanDerWaalsContact O-CG2 3.31Å; C852-V855 WeakPolarHBondContact O-CG2 3.46Å; C852-V855 PolarHBondContact O-N 2.82Å; V855-C857 HydrophobicContact CG2-CB 4.38Å; V855-C857 PolarHBondContact O-N 3.22Å; V855-C1113 HydrophobicContact CB-CB 4.24Å; V855-C1113 VanDerWaalsContact CB-SG 3.59Å; V855-C1113 HydrophobicContact CG2-CB 4.03Å
856	P	89.9	Confident	90.2	Very high	24 Å²	24	59 Å²	59	16%	0.156	30%	0.3	C	S	.	.			trans	-79.7	58.2	179.7	34.2	-36.7	0	0	0	110	K829 H830 F831 M1117	K829-P856 WeakPolarHBondContact O-CB 3.43Å; H830-P856 CarbonylContact C-O 3.59Å; H830-P856 WeakPolarHBondContact CA-O 3.3Å; F831-P856 WeakPolarHBondContact CB-O 3.28Å; F831-P856 HydrophobicContact CD2-CB 4.37Å; F831-P856 HydrophobicContact CD2-CG 3.86Å; F831-P856 VanDerWaalsContact CD2-O 3.25Å; F831-P856 WeakPolarHBondContact CD2-O 3.03Å; F831-P856 HydrophobicContact CE2-CB 4.46Å; F831-P856 HydrophobicContact CE2-CG 3.74Å; F831-P856 PolarHBondContact N-O 3.12Å; P856-M1117 VanDerWaalsContact CD-SD 3.58Å; P856-M1117 HydrophobicContact CG-CE 3.79Å; P856-M1117 HydrophobicContact CG-CG 4.21Å; P856-M1117 HydrophobicContact CG-SD 3.93Å
857	C	93.2	Very high	89.5	Confident	10 Å²	10	59.8 Å²	59.8	7%	0.068	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147	175	-72	0	0	0	0	112.5	F831 I833 F849 V855 C1113	F831-C857 VanDerWaalsContact O-CA 3.28Å; F831-C857 WeakPolarHBondContact O-CA 3.31Å; I833-C857 HydrophobicContact CD1-CB 4.26Å; F849-C857 HydrophobicContact CE1-CB 3.92Å; F849-C857 HydrophobicContact CE2-CB 4.1Å; F849-C857 HydrophobicContact CZ-CB 3.62Å; V855-C857 HydrophobicContact CG2-CB 4.38Å; V855-C857 PolarHBondContact O-N 3.22Å; C857-C1113 HydrophobicContact CB-CB 3.69Å; C857-C1113 WeakPolarHBondContact CB-SG 2.97Å; C857-C1113 WeakPolarHBondContact SG-CA 3.37Å; C857-C1113 WeakPolarHBondContact SG-CB 3.44Å; C857-C1113 CovalentContact SG-SG 2.01Å; C857-C1113 PolarHBondContact SG-SG 3.33Å
858	E	93.8	Very high	89	Confident	73 Å²	73	61 Å²	61	34%	0.341	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	135.4	179.4	-172.3	179.7	-170.6	0	0	109.7	F831 K832 I833 N846	F831-E858 PolarHBondContact O-N 3.26Å; K832-E858 CarbonylContact C-O 3.57Å; K832-E858 WeakPolarHBondContact CA-O 3.37Å; I833-E858 PolarHBondContact N-O 2.96Å; N846-E858 WeakPolarHBondContact ND2-CG 3.43Å
859	L	95.3	Very high	88.8	Confident	14 Å²	14	60.7 Å²	60.7	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.8	172.7	-57.8	-171.1	0	0	0	110.2	I833 M835 F844 N846 Q848 F849 F1109	I833-L859 HydrophobicContact CB-CD2 3.77Å; I833-L859 HydrophobicContact CD1-CD2 4.13Å; I833-L859 HydrophobicContact CG1-CD2 4.43Å; I833-L859 HydrophobicContact CG2-CD2 4.02Å; I833-L859 WeakPolarHBondContact O-CA 3Å; M835-L859 HydrophobicContact SD-CD2 4.35Å; F844-L859 HydrophobicContact CB-CD1 3.63Å; N846-L859 PolarHBondContact OD1-N 3.44Å; Q848-L859 HydrophobicContact CB-CD1 4.34Å; Q848-L859 HydrophobicContact CG-CD1 4.46Å; F849-L859 HydrophobicContact CE2-CD2 3.92Å; F849-L859 HydrophobicContact CE2-CG 3.77Å; F849-L859 HydrophobicContact CZ-CD2 3.81Å; F849-L859 HydrophobicContact CZ-CG 4.16Å; L859-F1109 HydrophobicContact CD1-CD1 4.3Å; L859-F1109 HydrophobicContact CD1-CE1 3.9Å; L859-F1109 HydrophobicContact CD1-CZ 4.29Å; L859-F1109 HydrophobicContact CD2-CD1 4.09Å; L859-F1109 HydrophobicContact CD2-CE1 3.94Å
860	T	94.4	Very high	88.6	Confident	17 Å²	17	61.7 Å²	61.7	10%	0.104	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	150.7	175.9	-178	0	0	0	0	110.3	K832 I833 L834 M835 D862 E865	K832-T860 HydrophobicContact CB-CG2 4.39Å; I833-T860 PolarHBondContact O-N 2.84Å; L834-T860 CarbonylContact C-O 3.58Å; L834-T860 WeakPolarHBondContact CA-O 3.38Å; L834-T860 HydrophobicContact CB-CG2 4.17Å; L834-T860 HydrophobicContact CD1-CG2 4.1Å; M835-T860 PolarHBondContact N-O 2.98Å; T860-D862 PolarHBondContact OG1-N 2.84Å; T860-E865 VanDerWaalsContact CB-OE2 3.23Å; T860-E865 WeakPolarHBondContact CB-OE2 3.35Å; T860-E865 HydrophobicContact CG2-CB 4.33Å; T860-E865 VanDerWaalsContact CG2-OE2 3.28Å; T860-E865 WeakPolarHBondContact CG2-OE2 3.31Å; T860-E865 PolarHBondContact OG1-OE2 3.37Å
861	Y	94	Very high	88.7	Confident	55 Å²	55	57 Å²	57	22%	0.216	29%	0.293	C	S	.	.			trans	-112.4	3.8	170.3	-79	-92.2	0	0	0	111.7	M835 R838 K843 F844 R863	M835-Y861 HydrophobicContact CB-CD1 3.63Å; M835-Y861 HydrophobicContact CB-CD2 4.09Å; M835-Y861 HydrophobicContact CB-CE1 3.27Å; M835-Y861 HydrophobicContact CB-CE2 3.75Å; M835-Y861 HydrophobicContact CB-CG 4.03Å; M835-Y861 HydrophobicContact CG-CD2 4.39Å; M835-Y861 HydrophobicContact CG-CE1 4.18Å; M835-Y861 HydrophobicContact CG-CE2 3.82Å; M835-Y861 VanDerWaalsContact O-CD1 3.29Å; M835-Y861 WeakPolarHBondContact O-CD1 3.23Å; R838-Y861 HydrophobicContact CG-CE1 4.39Å; K843-Y861 WeakPolarHBondContact CA-OH 3.5Å; K843-Y861 HydrophobicContact CB-CE2 4.06Å; K843-Y861 HydrophobicContact CD-CE2 4.44Å; K843-Y861 HydrophobicContact CG-CE1 4.19Å; K843-Y861 HydrophobicContact CG-CE2 4.25Å; F844-Y861 PolarHBondContact N-OH 3.02Å; F844-Y861 VanDerWaalsContact O-CE2 3.32Å; F844-Y861 WeakPolarHBondContact O-CE2 3.26Å; Y861-R863 PolarHBondContact O-N 2.64Å
862	D	91	Very high	88.9	Confident	73 Å²	73	53 Å²	53	39%	0.39	27%	0.274	S	S	.	.			trans	-77.8	117.5	-177.5	-172	-10	0	0	0	110.8	L834 T860 E864 E865	L834-D862 WeakPolarHBondContact CD1-O 3.3Å; T860-D862 PolarHBondContact OG1-N 2.84Å; D862-E864 PolarHBondContact O-N 2.72Å; D862-E864 WeakPolarHBondContact OD1-CB 2.96Å; D862-E864 PolarHBondContact OD1-N 2.69Å; D862-E865 HydrophobicContact CB-CG 3.96Å; D862-E865 PolarHBondContact O-N 3.25Å
863	R	86.3	Confident	89	Confident	93 Å²	93	52 Å²	52	35%	0.351	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-63.1	-29.1	-179.9	-61.9	-57.9	-155	-170.5	0.4	112.4	W836 Y861 E865 Y866 D883	W836-R863 VanDerWaalsContact C-NH1 3.33Å; W836-R863 VanDerWaalsContact CE2-CZ 3.45Å; W836-R863 VanDerWaalsContact CE3-NH1 3.28Å; W836-R863 VanDerWaalsContact NE1-NH2 3.16Å; W836-R863 PolarHBondContact O-NH1 2.77Å; W836-R863 PolarHBondContact O-NH2 2.62Å; Y861-R863 PolarHBondContact O-N 2.64Å; R863-E865 PolarHBondContact O-N 2.86Å; R863-Y866 VanDerWaalsContact O-CB 3.23Å; R863-Y866 WeakPolarHBondContact O-CB 3Å; R863-Y866 PolarHBondContact O-N 3.11Å; R863-D883 IonicContact CZ-OD2 2.69Å; R863-D883 IonicContact NH2-OD2 2.67Å; R863-D883 PolarHBondContact NH2-OD2 3.48Å
864	E	84.1	Confident	89.3	Confident	146 Å²	146	47.3 Å²	47.3	68%	0.682	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-68.6	-21.7	-179.2	-59.6	-168.2	170	0	0	111.6	D862 Y866	D862-E864 PolarHBondContact O-N 2.72Å; D862-E864 WeakPolarHBondContact OD1-CB 2.96Å; D862-E864 PolarHBondContact OD1-N 2.69Å; E864-Y866 VanDerWaalsContact C-N 3.25Å; E864-Y866 PolarHBondContact O-N 2.84Å
865	E	83.8	Confident	89.5	Confident	42 Å²	42	40 Å²	40	20%	0.196	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-84.8	6.9	176.7	-56.8	-166.7	148.1	0	0	113.6	K832 T860 D862 R863 I867 T868 S869	K832-E865 WeakPolarHBondContact CD-OE2 3.34Å; K832-E865 IonicContact NZ-OE1 3.63Å; K832-E865 PolarHBondContact NZ-OE1 2.85Å; K832-E865 IonicContact NZ-OE2 2.9Å; K832-E865 PolarHBondContact NZ-OE2 2.91Å; T860-E865 VanDerWaalsContact CB-OE2 3.23Å; T860-E865 WeakPolarHBondContact CB-OE2 3.35Å; T860-E865 HydrophobicContact CG2-CB 4.33Å; T860-E865 VanDerWaalsContact CG2-OE2 3.28Å; T860-E865 WeakPolarHBondContact CG2-OE2 3.31Å; T860-E865 PolarHBondContact OG1-OE2 3.37Å; D862-E865 HydrophobicContact CB-CG 3.96Å; D862-E865 PolarHBondContact O-N 3.25Å; R863-E865 PolarHBondContact O-N 2.86Å; E865-I867 VanDerWaalsContact C-N 3.3Å; E865-I867 PolarHBondContact O-N 3.36Å; E865-T868 PolarHBondContact O-N 3.01Å; E865-T868 PolarHBondContact O-OG1 3.03Å; E865-T868 VanDerWaalsContact O-OG1 3.13Å; E865-S869 WeakPolarHBondContact O-CB 3.48Å; E865-S869 PolarHBondContact O-N 3.07Å; E865-S869 PolarHBondContact O-OG 3.1Å
866	Y	85	Confident	89.3	Confident	35 Å²	35	39.3 Å²	39.3	14%	0.137	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-54.6	-42.7	178	170.9	-111.8	0	0	0	113.2	L834 W836 R863 E864 V872 P885 E887 L889 M892 Y894	L834-Y866 HydrophobicContact CD2-CD2 4.07Å; L834-Y866 HydrophobicContact CD2-CG 4.47Å; W836-Y866 HydrophobicContact CE3-CD2 4.2Å; W836-Y866 AromaticContact CZ3-CD2 3.56Å; W836-Y866 HydrophobicContact CZ3-CD2 3.56Å; W836-Y866 AromaticContact CZ3-CE2 3.98Å; W836-Y866 HydrophobicContact CZ3-CE2 3.98Å; W836-Y866 HydrophobicContact CZ3-CG 4.09Å; R863-Y866 VanDerWaalsContact O-CB 3.23Å; R863-Y866 WeakPolarHBondContact O-CB 3Å; R863-Y866 PolarHBondContact O-N 3.11Å; E864-Y866 VanDerWaalsContact C-N 3.25Å; E864-Y866 PolarHBondContact O-N 2.84Å; Y866-V872 HydrophobicContact CD2-CG2 3.93Å; Y866-V872 HydrophobicContact CE2-CG2 3.99Å; Y866-P885 HydrophobicContact CD2-CG 4.45Å; Y866-P885 HydrophobicContact CE1-CB 4.47Å; Y866-P885 HydrophobicContact CE2-CB 4.14Å; Y866-P885 HydrophobicContact CE2-CG 3.6Å; Y866-P885 WeakPolarHBondContact OH-CB 3.32Å; Y866-E887 PolarHBondContact OH-O 2.73Å; Y866-L889 HydrophobicContact CD1-CD1 4.35Å; Y866-L889 HydrophobicContact CE1-CD1 3.89Å; Y866-L889 HydrophobicContact CE1-CG 4.16Å; Y866-M892 HydrophobicContact CD2-CE 3.6Å; Y866-M892 HydrophobicContact CE1-CE 4.41Å; Y866-M892 HydrophobicContact CE2-CE 3.14Å; Y866-M892 HydrophobicContact CG-CE 4.43Å; Y866-M892 VanDerWaalsContact O-SD 3.35Å; Y866-Y894 HydrophobicContact CE2-CE1 4.1Å; Y866-Y894 PolarHBondContact OH-OH 2.86Å
867	I	76.4	Confident	88.9	Confident	90 Å²	90	45.1 Å²	45.1	46%	0.462	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-27.8	-176.7	-58.4	176	0	0	0	111.7	E865	E865-I867 VanDerWaalsContact C-N 3.3Å; E865-I867 PolarHBondContact O-N 3.36Å
868	T	81	Confident	88.2	Confident	99 Å²	99	47.4 Å²	47.4	61%	0.607	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.6	-11.3	-177.2	57.2	0	0	0	0	113.1	E865	E865-T868 PolarHBondContact O-N 3.01Å; E865-T868 PolarHBondContact O-OG1 3.03Å; E865-T868 VanDerWaalsContact O-OG1 3.13Å
869	S	88.4	Confident	87.3	Confident	2 Å²	2	45 Å²	45	1%	0.014	22%	0.217	C	C	.	.			trans	-74.5	146.7	177.9	-66.6	0	0	0	0	112.6	K832 E865	K832-S869 CarbonylContact O-C 3.56Å; K832-S869 WeakPolarHBondContact O-CA 3.32Å; E865-S869 WeakPolarHBondContact O-CB 3.48Å; E865-S869 PolarHBondContact O-N 3.07Å; E865-S869 PolarHBondContact O-OG 3.1Å
870	K	89.1	Confident	86.3	Confident	32 Å²	32	49 Å²	49	14%	0.139	24%	0.239	C	C	.	.	S	Bend	trans	-89.9	-20.7	175.4	-164.4	162.2	-170.4	-173.5	0	112.4	F831 K832 M892 H893 L1116	F831-K870 HydrophobicContact CB-CB 4.24Å; F831-K870 HydrophobicContact CB-CD 4.16Å; F831-K870 HydrophobicContact CD1-CB 4.45Å; F831-K870 HydrophobicContact CD1-CD 3.23Å; F831-K870 HydrophobicContact CD1-CG 4.44Å; F831-K870 HydrophobicContact CE1-CD 3.72Å; F831-K870 VanDerWaalsContact CE1-NZ 3.31Å; F831-K870 HydrophobicContact CG-CD 3.78Å; K832-K870 PolarHBondContact O-N 3.14Å; K870-M892 WeakPolarHBondContact O-CA 3.3Å; K870-H893 PolarHBondContact O-N 3.42Å; K870-L1116 HydrophobicContact CD-CB 4.37Å; K870-L1116 WeakPolarHBondContact CE-O 3.25Å; K870-L1116 PolarHBondContact NZ-O 3.37Å
871	A	94.5	Very high	85.1	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.1	172.4	0	0	0	0	0	112.5	K832 I833 L834 H893 I895 L1116	K832-A871 PolarHBondContact O-N 2.79Å; I833-A871 WeakPolarHBondContact CA-O 3.47Å; I833-A871 HydrophobicContact CG2-CB 4.39Å; L834-A871 PolarHBondContact N-O 2.79Å; A871-H893 CarbonylContact C-O 3.6Å; A871-H893 WeakPolarHBondContact CA-O 3.34Å; A871-H893 HydrophobicContact CB-CB 4.18Å; A871-I895 HydrophobicContact CB-CD1 3.65Å; A871-L1116 HydrophobicContact CB-CD1 3.55Å; A871-L1116 HydrophobicContact CB-CD2 3.74Å; A871-L1116 HydrophobicContact CB-CG 4.3Å
872	V	95.4	Very high	83.9	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	125.9	175.7	-171.7	0	0	0	0	109.4	L834 W836 Y866 F874 M892 H893 Y894 I895	L834-V872 HydrophobicContact CB-CG1 4.48Å; L834-V872 HydrophobicContact CB-CG2 4.31Å; L834-V872 HydrophobicContact CD2-CG1 4.4Å; L834-V872 HydrophobicContact CD2-CG2 4.43Å; L834-V872 HydrophobicContact CG-CG1 4.36Å; L834-V872 CarbonylContact O-C 3.5Å; L834-V872 WeakPolarHBondContact O-CA 3.49Å; W836-V872 HydrophobicContact CB-CG1 3.57Å; W836-V872 HydrophobicContact CD2-CG1 4.16Å; W836-V872 HydrophobicContact CE3-CG1 3.65Å; W836-V872 HydrophobicContact CG-CG1 4.19Å; Y866-V872 HydrophobicContact CD2-CG2 3.93Å; Y866-V872 HydrophobicContact CE2-CG2 3.99Å; V872-F874 HydrophobicContact CB-CE2 3.73Å; V872-F874 HydrophobicContact CB-CZ 4.27Å; V872-F874 HydrophobicContact CG1-CD2 4.08Å; V872-F874 HydrophobicContact CG1-CE1 4.4Å; V872-F874 HydrophobicContact CG1-CE2 3.28Å; V872-F874 HydrophobicContact CG1-CZ 3.47Å; V872-F874 VanDerWaalsContact CG1-CZ 3.47Å; V872-M892 HydrophobicContact CG2-CE 3.45Å; V872-M892 VanDerWaalsContact CG2-CE 3.45Å; V872-M892 HydrophobicContact CG2-CG 4.04Å; V872-M892 HydrophobicContact CG2-SD 3.36Å; V872-M892 WeakPolarHBondContact CG2-SD 3.43Å; V872-H893 PolarHBondContact N-O 3.23Å; V872-Y894 HydrophobicContact CB-CD1 4.4Å; V872-Y894 HydrophobicContact CG2-CE1 4.48Å; V872-Y894 CarbonylContact O-C 3.57Å; V872-Y894 WeakPolarHBondContact O-CA 3.33Å; V872-I895 PolarHBondContact O-N 3.13Å
873	V	95.7	Very high	83.3	Confident	1 Å²	1	53 Å²	53	1%	0.006	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.4	-176.6	-176.4	0	0	0	0	110.5	I833 L834 M835 W836 I895 F897 M919	I833-V873 HydrophobicContact CG2-CG2 3.65Å; L834-V873 PolarHBondContact O-N 2.9Å; M835-V873 HydrophobicContact CE-CB 3.9Å; M835-V873 HydrophobicContact CE-CG1 3.82Å; M835-V873 HydrophobicContact SD-CB 3.81Å; M835-V873 HydrophobicContact SD-CG1 4.29Å; M835-V873 HydrophobicContact SD-CG2 3.94Å; W836-V873 WeakPolarHBondContact CB-O 3.44Å; W836-V873 PolarHBondContact N-O 3.44Å; V873-I895 HydrophobicContact CG2-CB 4.19Å; V873-I895 HydrophobicContact CG2-CD1 3.82Å; V873-F897 HydrophobicContact CG1-CB 3.5Å; V873-F897 HydrophobicContact CG1-CG 4.27Å; V873-M919 HydrophobicContact CG1-CE 4.36Å
874	F	93.2	Very high	82.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	141	179.9	-57.4	-106.8	0	0	0	111.2	W836 V872 I879 M884 Y894 I895 F897 F914 F915	W836-F874 HydrophobicContact CB-CD1 3.64Å; W836-F874 HydrophobicContact CB-CD2 4.39Å; W836-F874 HydrophobicContact CB-CE1 3.57Å; W836-F874 HydrophobicContact CB-CE2 4.31Å; W836-F874 HydrophobicContact CB-CG 4.06Å; W836-F874 HydrophobicContact CB-CZ 3.9Å; W836-F874 AromaticContact CD1-CD1 3.53Å; W836-F874 AromaticContact CD1-CE1 3.29Å; W836-F874 HydrophobicContact CD2-CD1 4.43Å; W836-F874 AromaticContact CD2-CE1 3.55Å; W836-F874 HydrophobicContact CD2-CE1 3.55Å; W836-F874 AromaticContact CD2-CZ 3.84Å; W836-F874 HydrophobicContact CD2-CZ 3.84Å; W836-F874 HydrophobicContact CE3-CE1 4.38Å; W836-F874 HydrophobicContact CE3-CZ 4.22Å; W836-F874 AromaticContact CG-CD1 3.55Å; W836-F874 HydrophobicContact CG-CD1 3.55Å; W836-F874 AromaticContact CG-CE1 3.11Å; W836-F874 HydrophobicContact CG-CE1 3.11Å; W836-F874 HydrophobicContact CG-CG 4.43Å; W836-F874 AromaticContact CG-CZ 3.7Å; W836-F874 HydrophobicContact CG-CZ 3.7Å; W836-F874 AromaticContact NE1-CE1 3.83Å; V872-F874 HydrophobicContact CB-CE2 3.73Å; V872-F874 HydrophobicContact CB-CZ 4.27Å; V872-F874 HydrophobicContact CG1-CD2 4.08Å; V872-F874 HydrophobicContact CG1-CE1 4.4Å; V872-F874 HydrophobicContact CG1-CE2 3.28Å; V872-F874 HydrophobicContact CG1-CZ 3.47Å; V872-F874 VanDerWaalsContact CG1-CZ 3.47Å; F874-I879 HydrophobicContact CB-CD1 3.83Å; F874-I879 HydrophobicContact CB-CG1 4.17Å; F874-I879 HydrophobicContact CD1-CD1 4.45Å; F874-I879 HydrophobicContact CD1-CG1 4.39Å; F874-M884 HydrophobicContact CD1-CG 4.44Å; F874-M884 HydrophobicContact CD1-SD 4.35Å; F874-M884 HydrophobicContact CE1-CG 4.09Å; F874-M884 HydrophobicContact CE1-SD 4.34Å; F874-Y894 AromaticContact CE2-CD1 3.75Å; F874-Y894 HydrophobicContact CE2-CD1 3.75Å; F874-Y894 HydrophobicContact CZ-CD1 4.07Å; F874-I895 PolarHBondContact N-O 2.83Å; F874-F897 PolarHBondContact O-N 2.64Å; F874-F914 HydrophobicContact CD2-CE1 4.43Å; F874-F914 HydrophobicContact CE1-CE1 4.2Å; F874-F914 AromaticContact CE2-CE1 3.82Å; F874-F914 HydrophobicContact CE2-CE1 3.82Å; F874-F914 HydrophobicContact CE2-CZ 4.45Å; F874-F914 AromaticContact CZ-CE1 3.7Å; F874-F914 HydrophobicContact CZ-CE1 3.7Å; F874-F914 HydrophobicContact CZ-CZ 4.02Å; F874-F915 HydrophobicContact CB-CE1 3.76Å; F874-F915 HydrophobicContact CB-CZ 4.2Å; F874-F915 HydrophobicContact CD2-CD1 4.38Å; F874-F915 AromaticContact CD2-CE1 3.67Å; F874-F915 HydrophobicContact CD2-CE1 3.67Å; F874-F915 HydrophobicContact CE2-CE1 4.46Å; F874-F915 AromaticContact CG-CE1 3.83Å; F874-F915 HydrophobicContact CG-CE1 3.83Å; F874-F915 HydrophobicContact CG-CZ 4.46Å
875	H	90.4	Very high	82.5	Confident	5 Å²	5	43 Å²	43	2%	0.023	24%	0.243	C	C	.	.			trans	-112.2	118.6	173.6	-177.5	-106	0	0	0	109.4	T837 R838 F839 F840 F877 N878 I879 F897	T837-H875 WeakPolarHBondContact OG1-CB 3.35Å; T837-H875 PolarHBondContact OG1-N 3.08Å; R838-H875 WeakPolarHBondContact O-CB 3.42Å; F839-H875 AromaticContact CD2-CD2 3.44Å; F839-H875 VanDerWaalsContact CD2-CD2 3.44Å; F839-H875 WeakPolarHBondContact CD2-CD2 3.25Å; F839-H875 AromaticContact CD2-CE1 3.92Å; F839-H875 AromaticContact CD2-CG 3.99Å; F839-H875 AromaticContact CD2-NE2 3.41Å; F839-H875 WeakPolarHBondContact CD2-NE2 3.09Å; F839-H875 AromaticContact CE2-CD2 3.81Å; F839-H875 AromaticContact CE2-NE2 3.42Å; F839-H875 WeakPolarHBondContact CE2-NE2 3.45Å; F840-H875 AromaticContact CE1-CE1 3.86Å; F840-H875 AromaticContact CE2-CE1 3.81Å; F840-H875 AromaticContact CE2-NE2 3.91Å; F840-H875 AromaticContact CZ-CE1 3.74Å; H875-F877 VanDerWaalsContact C-N 3.25Å; H875-F877 WeakPolarHBondContact CE1-CB 3.46Å; H875-F877 PolarHBondContact O-N 3.2Å; H875-F877 VanDerWaalsContact O-N 3.1Å; H875-N878 PolarHBondContact ND1-OD1 3.46Å; H875-N878 VanDerWaalsContact ND1-OD1 3.13Å; H875-N878 PolarHBondContact O-N 3.15Å; H875-I879 PolarHBondContact O-N 2.03Å; H875-F897 WeakPolarHBondContact CA-O 3.22Å; H875-F897 PolarHBondContact CD2-O 3.04Å; H875-F897 VanDerWaalsContact CD2-O 3.31Å
876	P	81	Confident	81.6	Confident	14 Å²	14	46.1 Å²	46.1	9%	0.091	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-62.1	-27.2	-165.5	22.5	-32.8	0	0	0	114.5	N878 I879 L896 F897 L898 V905 L907 T910	P876-N878 PolarHBondContact O-N 3.23Å; P876-I879 HydrophobicContact CB-CD1 4.46Å; P876-I879 PolarHBondContact O-N 2.83Å; P876-L896 HydrophobicContact CB-CD1 4.25Å; P876-L896 HydrophobicContact CG-CD1 4.18Å; P876-F897 WeakPolarHBondContact CD-O 3.34Å; P876-L898 HydrophobicContact CG-CB 4.28Å; P876-V905 HydrophobicContact CB-CG1 4.01Å; P876-V905 HydrophobicContact CG-CG1 3.66Å; P876-L907 HydrophobicContact CB-CD2 4.35Å; P876-T910 HydrophobicContact CB-CG2 4.25Å
877	F	80.4	Confident	80.8	Confident	146 Å²	146	46.1 Å²	46.1	64%	0.64	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-63.7	-30.7	176.5	-171.5	-93.9	0	0	0	112.8	F840 H875	F840-F877 HydrophobicContact CD1-CB 4.44Å; F840-F877 AromaticContact CD1-CD1 3.83Å; F840-F877 HydrophobicContact CD1-CD1 3.83Å; F840-F877 HydrophobicContact CD1-CE1 4.2Å; F840-F877 HydrophobicContact CD1-CG 4.03Å; F840-F877 HydrophobicContact CE1-CB 4.19Å; F840-F877 HydrophobicContact CE1-CD1 4.18Å; F840-F877 HydrophobicContact CE1-CD2 4.11Å; F840-F877 AromaticContact CE1-CG 3.9Å; F840-F877 HydrophobicContact CE1-CG 3.9Å; H875-F877 VanDerWaalsContact C-N 3.25Å; H875-F877 WeakPolarHBondContact CE1-CB 3.46Å; H875-F877 PolarHBondContact O-N 3.2Å; H875-F877 VanDerWaalsContact O-N 3.1Å
878	N	78.4	Confident	81	Confident	59 Å²	59	45.1 Å²	45.1	32%	0.316	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-105.4	5.2	-175.7	-61.8	95.6	0	0	0	112.5	T837 R838 F840 H875 P876 N880	T837-N878 HydrophobicContact CG2-CB 4.11Å; R838-N878 PolarHBondContact O-OD1 3.33Å; F840-N878 PolarHBondContact N-OD1 2.79Å; H875-N878 PolarHBondContact ND1-OD1 3.46Å; H875-N878 VanDerWaalsContact ND1-OD1 3.13Å; H875-N878 PolarHBondContact O-N 3.15Å; P876-N878 PolarHBondContact O-N 3.23Å; N878-N880 PolarHBondContact O-N 2.91Å
879	I	76.2	Confident	81	Confident	23 Å²	23	41.1 Å²	41.1	12%	0.118	23%	0.231	C	C	.	.			trans	-74.1	126.4	177.6	-72	178.2	0	0	0	109.7	T837 F874 H875 P876 M884 T910 F915	T837-I879 HydrophobicContact CG2-CG1 4.41Å; F874-I879 HydrophobicContact CB-CD1 3.83Å; F874-I879 HydrophobicContact CB-CG1 4.17Å; F874-I879 HydrophobicContact CD1-CD1 4.45Å; F874-I879 HydrophobicContact CD1-CG1 4.39Å; H875-I879 PolarHBondContact O-N 2.03Å; P876-I879 HydrophobicContact CB-CD1 4.46Å; P876-I879 PolarHBondContact O-N 2.83Å; I879-M884 HydrophobicContact CD1-SD 4.25Å; I879-M884 HydrophobicContact CG2-CE 3.45Å; I879-M884 VanDerWaalsContact CG2-CE 3.45Å; I879-M884 HydrophobicContact CG2-CG 3.98Å; I879-M884 HydrophobicContact CG2-SD 3.54Å; I879-M884 VanDerWaalsContact CG2-SD 3.54Å; I879-T910 HydrophobicContact CD1-CG2 4.29Å; I879-F915 HydrophobicContact CD1-CZ 3.88Å
880	N	73	Confident	80.5	Confident	98 Å²	98	42.8 Å²	42.8	52%	0.524	24%	0.242	S	C	.	.			trans	-107.1	119.9	160	-179.3	-2.2	0	0	0	108.1	N878 A882 D883 M884	N878-N880 PolarHBondContact O-N 2.91Å; N880-A882 PolarHBondContact O-N 2.99Å; N880-A882 VanDerWaalsContact O-N 3.16Å; N880-A882 PolarHBondContact OD1-N 3.43Å; N880-D883 HydrophobicContact CB-CB 4.07Å; N880-D883 PolarHBondContact O-N 3.42Å; N880-M884 PolarHBondContact O-N 2.8Å
881	A	69.6	Low	79.9	Confident	61 Å²	61	44.3 Å²	44.3	50%	0.504	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-27.9	-179.7	0	0	0	0	0	113	M884	A881-M884 HydrophobicContact CB-CE 4.2Å
882	A	70.1	Confident	79.6	Confident	91 Å²	91	44.3 Å²	44.3	75%	0.752	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.7	175.6	0	0	0	0	0	113.9	N880	N880-A882 PolarHBondContact O-N 2.99Å; N880-A882 VanDerWaalsContact O-N 3.16Å; N880-A882 PolarHBondContact OD1-N 3.43Å
883	D	77.3	Confident	79.5	Confident	76 Å²	76	45 Å²	45	41%	0.406	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-14.6	175.2	-176.4	54.8	0	0	0	111.7	W836 R863 N880	W836-D883 WeakPolarHBondContact CZ2-O 3.46Å; W836-D883 PolarHBondContact NE1-OD2 2.97Å; R863-D883 IonicContact CZ-OD2 2.69Å; R863-D883 IonicContact NH2-OD2 2.67Å; R863-D883 PolarHBondContact NH2-OD2 3.48Å; N880-D883 HydrophobicContact CB-CB 4.07Å; N880-D883 PolarHBondContact O-N 3.42Å
884	M	78.7	Confident	79.4	Confident	12 Å²	12	45 Å²	45	6%	0.059	25%	0.253	C	S	.	.	S	Bend	trans	-69.8	145	-179	-75.3	-162.5	-73.9	0	0	111.8	F874 I879 N880 A881 V886 V911 F914	F874-M884 HydrophobicContact CD1-CG 4.44Å; F874-M884 HydrophobicContact CD1-SD 4.35Å; F874-M884 HydrophobicContact CE1-CG 4.09Å; F874-M884 HydrophobicContact CE1-SD 4.34Å; I879-M884 HydrophobicContact CD1-SD 4.25Å; I879-M884 HydrophobicContact CG2-CE 3.45Å; I879-M884 VanDerWaalsContact CG2-CE 3.45Å; I879-M884 HydrophobicContact CG2-CG 3.98Å; I879-M884 HydrophobicContact CG2-SD 3.54Å; I879-M884 VanDerWaalsContact CG2-SD 3.54Å; N880-M884 PolarHBondContact O-N 2.8Å; A881-M884 HydrophobicContact CB-CE 4.2Å; M884-V886 PolarHBondContact O-N 3.44Å; M884-V911 HydrophobicContact CE-CB 4.29Å; M884-V911 HydrophobicContact CE-CG2 3.5Å; M884-V911 VanDerWaalsContact CE-CG2 3.5Å; M884-F914 HydrophobicContact SD-CD1 4.46Å; M884-F914 HydrophobicContact SD-CE1 4.24Å
885	P	75.7	Confident	79.5	Confident	18 Å²	18	45 Å²	45	12%	0.117	25%	0.253	C	S	.	.			trans	-54.8	127	170.6	-21.6	31.1	0	0	0	110.1	W836 Y866 E887 Y894 F914	W836-P885 HydrophobicContact CD2-CG 4.5Å; W836-P885 HydrophobicContact CE3-CG 4.15Å; W836-P885 HydrophobicContact CH2-CG 3.62Å; W836-P885 HydrophobicContact CZ2-CG 4.03Å; W836-P885 HydrophobicContact CZ3-CG 3.68Å; Y866-P885 HydrophobicContact CD2-CG 4.45Å; Y866-P885 HydrophobicContact CE1-CB 4.47Å; Y866-P885 HydrophobicContact CE2-CB 4.14Å; Y866-P885 HydrophobicContact CE2-CG 3.6Å; Y866-P885 WeakPolarHBondContact OH-CB 3.32Å; P885-E887 PolarHBondContact O-N 3.15Å; P885-E887 VanDerWaalsContact O-N 3.16Å; P885-Y894 HydrophobicContact CG-CE1 4.46Å; P885-F914 WeakPolarHBondContact O-CE2 3.42Å
886	V	64.3	Low	79.7	Confident	107 Å²	107	44.7 Å²	44.7	65%	0.648	25%	0.251	S	S	*	.	S	Bend	trans	-61	-30.1	-175.2	-173.7	0	0	0	0	111.5	R796 M884	R796-V886 VanDerWaalsContact NH1-CG1 3.32Å; M884-V886 PolarHBondContact O-N 3.44Å
887	E	67.5	Low	80.3	Confident	34 Å²	34	44.1 Å²	44.1	16%	0.159	25%	0.247	C	C	.	.	S	Bend	trans	-144.6	160.1	175.3	-72.3	-167.8	-168.5	0	0	113.3	R796 Y866 P885	R796-E887 WeakPolarHBondContact CA-OE2 3.5Å; R796-E887 HydrophobicContact CB-CB 3.96Å; R796-E887 HydrophobicContact CB-CG 4.09Å; R796-E887 WeakPolarHBondContact CB-OE2 3.15Å; R796-E887 VanDerWaalsContact CD-OE1 3.3Å; R796-E887 WeakPolarHBondContact CD-OE1 3.24Å; R796-E887 HydrophobicContact CG-CB 4.4Å; R796-E887 HydrophobicContact CG-CG 3.96Å; R796-E887 VanDerWaalsContact CG-OE1 3.29Å; R796-E887 WeakPolarHBondContact CG-OE1 3.45Å; R796-E887 WeakPolarHBondContact CG-OE2 3.29Å; R796-E887 IonicContact CZ-OE1 3.41Å; R796-E887 PolarHBondContact N-OE2 3.01Å; R796-E887 IonicContact NE-OE1 2.74Å; R796-E887 PolarHBondContact NE-OE1 3.43Å; R796-E887 IonicContact NH2-OE1 2.64Å; Y866-E887 PolarHBondContact OH-O 2.73Å; P885-E887 PolarHBondContact O-N 3.15Å; P885-E887 VanDerWaalsContact O-N 3.16Å
888	R	81.2	Confident	80.8	Confident	69 Å²	69	37.2 Å²	37.2	26%	0.26	22%	0.217	S	C	.	.			trans	-82.8	139.2	-177.1	-59.6	-178.9	-51.1	164.4	-1.1	112.3	R801 Y894 F914	R801-R888 PolarHBondContact NH2-O 3.37Å; R888-Y894 VanDerWaalsContact CA-OH 3.31Å; R888-Y894 WeakPolarHBondContact CA-OH 3.37Å; R888-Y894 HydrophobicContact CB-CD2 3.96Å; R888-Y894 HydrophobicContact CB-CE2 3.44Å; R888-Y894 VanDerWaalsContact CB-CE2 3.44Å; R888-Y894 HydrophobicContact CG-CD1 4.41Å; R888-Y894 HydrophobicContact CG-CD2 3.75Å; R888-Y894 HydrophobicContact CG-CE1 4.32Å; R888-Y894 HydrophobicContact CG-CE2 3.66Å; R888-Y894 HydrophobicContact CG-CG 4.15Å; R888-F914 WeakPolarHBondContact CD-O 3.4Å; R888-F914 HydrophobicContact CG-CD2 4.04Å; R888-F914 HydrophobicContact CG-CE2 3.98Å; R888-F914 PolarHBondContact NH1-O 3.41Å
889	L	81.6	Confident	81.4	Confident	15 Å²	15	34.6 Å²	34.6	8%	0.079	20%	0.203	C	C	.	.			trans	-78.2	126.3	162.1	-55.6	-178.2	0	0	0	107.8	R801 Y866 H891 M892 Y894	R801-L889 HydrophobicContact CG-CD2 4.4Å; Y866-L889 HydrophobicContact CD1-CD1 4.35Å; Y866-L889 HydrophobicContact CE1-CD1 3.89Å; Y866-L889 HydrophobicContact CE1-CG 4.16Å; L889-H891 PolarHBondContact O-N 3.24Å; L889-M892 HydrophobicContact CB-CB 4.11Å; L889-M892 HydrophobicContact CB-CE 4.08Å; L889-M892 HydrophobicContact CD1-CE 3.78Å; L889-M892 HydrophobicContact CG-CE 4.03Å; L889-M892 PolarHBondContact O-N 2.86Å; L889-M892 VanDerWaalsContact O-N 3.09Å; L889-Y894 PolarHBondContact N-OH 3Å
890	P	77.7	Confident	82.1	Confident	37 Å²	37	35.4 Å²	35.4	24%	0.24	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-21.3	-168.1	29.5	-37.5	0	0	0	112.2	L795 R801 M892 G1122 T1123 A1124	L795-P890 HydrophobicContact CD1-CB 4.42Å; L795-P890 HydrophobicContact CD1-CG 4.18Å; L795-P890 HydrophobicContact CD2-CB 4.08Å; L795-P890 HydrophobicContact CD2-CG 4.26Å; R801-P890 VanDerWaalsContact NH2-CD 3.29Å; P890-M892 VanDerWaalsContact C-N 3.32Å; P890-G1122 CarbonylContact C-O 3.52Å; P890-T1123 CarbonylContact O-C 3.55Å; P890-T1123 VanDerWaalsContact O-C 3.25Å; P890-T1123 WeakPolarHBondContact O-CA 3.39Å; P890-A1124 WeakPolarHBondContact O-CB 3.33Å; P890-A1124 PolarHBondContact O-N 3.05Å
891	H	75.9	Confident	83	Confident	64 Å²	64	30.8 Å²	30.8	30%	0.296	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2.2	178.1	61.4	-90.5	0	0	0	113	L889	L889-H891 PolarHBondContact O-N 3.24Å
892	M	87.3	Confident	83.8	Confident	1 Å²	1	28.4 Å²	28.4	1%	0.005	16%	0.161	C	C	.	.	S	Bend	trans	-121.6	133.2	-170.6	-174.7	161	67.7	0	0	111.3	Y866 K870 V872 L889 P890 Y894 A1124	Y866-M892 HydrophobicContact CD2-CE 3.6Å; Y866-M892 HydrophobicContact CE1-CE 4.41Å; Y866-M892 HydrophobicContact CE2-CE 3.14Å; Y866-M892 HydrophobicContact CG-CE 4.43Å; Y866-M892 VanDerWaalsContact O-SD 3.35Å; K870-M892 WeakPolarHBondContact O-CA 3.3Å; V872-M892 HydrophobicContact CG2-CE 3.45Å; V872-M892 VanDerWaalsContact CG2-CE 3.45Å; V872-M892 HydrophobicContact CG2-CG 4.04Å; V872-M892 HydrophobicContact CG2-SD 3.36Å; V872-M892 WeakPolarHBondContact CG2-SD 3.43Å; L889-M892 HydrophobicContact CB-CB 4.11Å; L889-M892 HydrophobicContact CB-CE 4.08Å; L889-M892 HydrophobicContact CD1-CE 3.78Å; L889-M892 HydrophobicContact CG-CE 4.03Å; L889-M892 PolarHBondContact O-N 2.86Å; L889-M892 VanDerWaalsContact O-N 3.09Å; P890-M892 VanDerWaalsContact C-N 3.32Å; M892-Y894 HydrophobicContact CB-CE2 4.2Å; M892-Y894 HydrophobicContact CE-CE1 4.09Å; M892-Y894 HydrophobicContact CE-CE2 4.07Å; M892-Y894 VanDerWaalsContact CE-CZ 3.48Å; M892-Y894 WeakPolarHBondContact CE-OH 3.14Å; M892-Y894 HydrophobicContact CG-CE2 4.36Å; M892-Y894 VanDerWaalsContact O-CD2 3.3Å; M892-Y894 WeakPolarHBondContact O-CD2 3.38Å; M892-Y894 WeakPolarHBondContact O-CE2 3.39Å; M892-A1124 VanDerWaalsContact C-CB 3.47Å; M892-A1124 WeakPolarHBondContact O-CB 3.04Å
893	H	93.4	Very high	84.3	Confident	14 Å²	14	27.2 Å²	27.2	7%	0.065	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	135.6	175.2	-74.9	-83.4	0	0	0	111.8	K870 A871 V872 I895 T916 L917 L1116	K870-H893 PolarHBondContact O-N 3.42Å; A871-H893 CarbonylContact C-O 3.6Å; A871-H893 WeakPolarHBondContact CA-O 3.34Å; A871-H893 HydrophobicContact CB-CB 4.18Å; V872-H893 PolarHBondContact N-O 3.23Å; H893-I895 HydrophobicContact CB-CG1 4.39Å; H893-T916 WeakPolarHBondContact CA-OG1 3.41Å; H893-T916 WeakPolarHBondContact CB-OG1 3.48Å; H893-T916 PolarHBondContact ND1-OG1 3.14Å; H893-T916 VanDerWaalsContact ND1-OG1 3.07Å; H893-L917 HydrophobicContact CB-CD1 3.94Å; H893-L917 HydrophobicContact CB-CG 4.39Å; H893-L1116 HydrophobicContact CB-CD2 4.01Å
894	Y	94.4	Very high	84.5	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	109.1	175.8	-66.8	-102.1	0	0	0	107.5	Y866 V872 F874 P885 R888 L889 M892 F914 F915 T916 L917	Y866-Y894 HydrophobicContact CE2-CE1 4.1Å; Y866-Y894 PolarHBondContact OH-OH 2.86Å; V872-Y894 HydrophobicContact CB-CD1 4.4Å; V872-Y894 HydrophobicContact CG2-CE1 4.48Å; V872-Y894 CarbonylContact O-C 3.57Å; V872-Y894 WeakPolarHBondContact O-CA 3.33Å; F874-Y894 AromaticContact CE2-CD1 3.75Å; F874-Y894 HydrophobicContact CE2-CD1 3.75Å; F874-Y894 HydrophobicContact CZ-CD1 4.07Å; P885-Y894 HydrophobicContact CG-CE1 4.46Å; R888-Y894 VanDerWaalsContact CA-OH 3.31Å; R888-Y894 WeakPolarHBondContact CA-OH 3.37Å; R888-Y894 HydrophobicContact CB-CD2 3.96Å; R888-Y894 HydrophobicContact CB-CE2 3.44Å; R888-Y894 VanDerWaalsContact CB-CE2 3.44Å; R888-Y894 HydrophobicContact CG-CD1 4.41Å; R888-Y894 HydrophobicContact CG-CD2 3.75Å; R888-Y894 HydrophobicContact CG-CE1 4.32Å; R888-Y894 HydrophobicContact CG-CE2 3.66Å; R888-Y894 HydrophobicContact CG-CG 4.15Å; L889-Y894 PolarHBondContact N-OH 3Å; M892-Y894 HydrophobicContact CB-CE2 4.2Å; M892-Y894 HydrophobicContact CE-CE1 4.09Å; M892-Y894 HydrophobicContact CE-CE2 4.07Å; M892-Y894 VanDerWaalsContact CE-CZ 3.48Å; M892-Y894 WeakPolarHBondContact CE-OH 3.14Å; M892-Y894 HydrophobicContact CG-CE2 4.36Å; M892-Y894 VanDerWaalsContact O-CD2 3.3Å; M892-Y894 WeakPolarHBondContact O-CD2 3.38Å; M892-Y894 WeakPolarHBondContact O-CE2 3.39Å; Y894-F914 HydrophobicContact CD1-CD1 4.46Å; Y894-F914 AromaticContact CD1-CE1 3.56Å; Y894-F914 HydrophobicContact CD1-CE1 3.56Å; Y894-F914 HydrophobicContact CD1-CE2 4.19Å; Y894-F914 AromaticContact CD1-CZ 3.39Å; Y894-F914 HydrophobicContact CD1-CZ 3.39Å; Y894-F914 HydrophobicContact CE1-CE1 4.34Å; Y894-F914 HydrophobicContact CE1-CE2 4.33Å; Y894-F914 AromaticContact CE1-CZ 3.72Å; Y894-F914 HydrophobicContact CE1-CZ 3.72Å; Y894-F914 HydrophobicContact CG-CE1 4.24Å; Y894-F914 HydrophobicContact CG-CZ 4.3Å; Y894-F915 CarbonylContact O-C 3.48Å; Y894-F915 VanDerWaalsContact O-CA 3.31Å; Y894-F915 WeakPolarHBondContact O-CA 3.42Å; Y894-F915 WeakPolarHBondContact O-CB 3.3Å; Y894-T916 PolarHBondContact N-OG1 3Å; Y894-T916 PolarHBondContact O-N 2.9Å; Y894-T916 PolarHBondContact O-OG1 3.27Å; Y894-L917 PolarHBondContact O-N 3.15Å
895	I	95.6	Very high	84.4	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	121.8	-166.3	-56.8	157.4	0	0	0	109	A871 V872 V873 F874 H893 F897 L917 M919 L1112	A871-I895 HydrophobicContact CB-CD1 3.65Å; V872-I895 PolarHBondContact O-N 3.13Å; V873-I895 HydrophobicContact CG2-CB 4.19Å; V873-I895 HydrophobicContact CG2-CD1 3.82Å; F874-I895 PolarHBondContact N-O 2.83Å; H893-I895 HydrophobicContact CB-CG1 4.39Å; I895-F897 PolarHBondContact O-N 2.83Å; I895-L917 WeakPolarHBondContact CA-O 3.3Å; I895-L917 HydrophobicContact CG1-CB 4.11Å; I895-L917 HydrophobicContact CG1-CD1 4.38Å; I895-M919 HydrophobicContact CG2-CB 3.74Å; I895-L1112 HydrophobicContact CD1-CD1 3.44Å; I895-L1112 VanDerWaalsContact CD1-CD1 3.44Å; I895-L1112 HydrophobicContact CD1-CD2 3.96Å; I895-L1112 HydrophobicContact CD1-CG 4.32Å; I895-L1112 HydrophobicContact CG1-CD1 4.49Å
896	L	94	Very high	84.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	112.1	168.1	-176.9	70.5	0	0	0	108.9	P876 L898 L907 F915 L917 M919 I1133	P876-L896 HydrophobicContact CB-CD1 4.25Å; P876-L896 HydrophobicContact CG-CD1 4.18Å; L896-L898 HydrophobicContact CD2-CD2 3.52Å; L896-L898 HydrophobicContact CG-CD2 3.78Å; L896-L907 HydrophobicContact CD2-CD2 3.94Å; L896-F915 HydrophobicContact CB-CB 4.19Å; L896-F915 HydrophobicContact CB-CD1 3.73Å; L896-F915 HydrophobicContact CB-CD2 3.9Å; L896-F915 HydrophobicContact CB-CE1 4.07Å; L896-F915 HydrophobicContact CB-CE2 4.2Å; L896-F915 HydrophobicContact CB-CG 3.65Å; L896-F915 HydrophobicContact CB-CZ 4.29Å; L896-F915 HydrophobicContact CD1-CD2 4.27Å; L896-F915 HydrophobicContact CD1-CE1 4.12Å; L896-F915 HydrophobicContact CD1-CE2 3.72Å; L896-F915 HydrophobicContact CD1-CZ 3.64Å; L896-F915 HydrophobicContact CD2-CD2 4.46Å; L896-F915 HydrophobicContact CG-CD2 4.43Å; L896-F915 HydrophobicContact CG-CE2 4.36Å; L896-L917 PolarHBondContact N-O 3.08Å; L896-M919 PolarHBondContact O-N 3.48Å; L896-I1133 HydrophobicContact CB-CD1 4.45Å; L896-I1133 HydrophobicContact CD2-CD1 3.95Å; L896-I1133 HydrophobicContact CD2-CG2 3.63Å
897	F	94.8	Very high	84.7	Confident	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.4	175.9	171	-124.5	0	0	0	111.2	F839 F844 V873 F874 H875 P876 I895 K899 M919 M929	F839-F897 HydrophobicContact CB-CE1 3.93Å; F839-F897 HydrophobicContact CD1-CE1 4.33Å; F839-F897 HydrophobicContact CD2-CD1 4.23Å; F839-F897 AromaticContact CD2-CE1 3.37Å; F839-F897 HydrophobicContact CD2-CE1 3.37Å; F839-F897 AromaticContact CD2-CZ 3.96Å; F839-F897 HydrophobicContact CD2-CZ 3.96Å; F839-F897 AromaticContact CE2-CE1 3.91Å; F839-F897 HydrophobicContact CE2-CE1 3.91Å; F839-F897 HydrophobicContact CE2-CZ 4.04Å; F839-F897 AromaticContact CG-CE1 3.62Å; F839-F897 HydrophobicContact CG-CE1 3.62Å; F839-F897 HydrophobicContact CG-CZ 4.24Å; F839-F897 HydrophobicContact CZ-CZ 4.4Å; F844-F897 HydrophobicContact CE2-CD1 4.4Å; F844-F897 AromaticContact CE2-CE1 3.72Å; F844-F897 HydrophobicContact CE2-CE1 3.72Å; F844-F897 HydrophobicContact CE2-CZ 4.27Å; F844-F897 HydrophobicContact CZ-CE1 4.04Å; F844-F897 HydrophobicContact CZ-CZ 4.16Å; V873-F897 HydrophobicContact CG1-CB 3.5Å; V873-F897 HydrophobicContact CG1-CG 4.27Å; F874-F897 PolarHBondContact O-N 2.64Å; H875-F897 WeakPolarHBondContact CA-O 3.22Å; H875-F897 PolarHBondContact CD2-O 3.04Å; H875-F897 VanDerWaalsContact CD2-O 3.31Å; P876-F897 WeakPolarHBondContact CD-O 3.34Å; I895-F897 PolarHBondContact O-N 2.83Å; F897-K899 HydrophobicContact CE2-CG 3.87Å; F897-K899 HydrophobicContact CZ-CD 4.32Å; F897-K899 HydrophobicContact CZ-CG 3.92Å; F897-M919 WeakPolarHBondContact CA-O 3.4Å; F897-M919 HydrophobicContact CB-CE 3.95Å; F897-M919 HydrophobicContact CD1-CE 4.39Å; F897-M919 HydrophobicContact CD2-CB 4.28Å; F897-M919 HydrophobicContact CD2-CE 3.3Å; F897-M919 HydrophobicContact CD2-CG 3.98Å; F897-M919 WeakPolarHBondContact CD2-O 3.5Å; F897-M919 HydrophobicContact CD2-SD 4.49Å; F897-M919 HydrophobicContact CE2-CE 3.93Å; F897-M919 HydrophobicContact CG-CE 3.6Å; F897-M929 HydrophobicContact CD2-CE 4.32Å; F897-M929 HydrophobicContact CD2-SD 4.43Å; F897-M929 HydrophobicContact CE2-CE 3.18Å; F897-M929 HydrophobicContact CE2-SD 3.73Å; F897-M929 HydrophobicContact CZ-CE 3.31Å; F897-M929 HydrophobicContact CZ-SD 4.37Å
898	L	89.4	Confident	84.3	Confident	1 Å²	1	30.9 Å²	30.9	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	137.1	-180	64.5	98.8	0	0	0	111.4	P876 L896 M919 T920 Y1137	P876-L898 HydrophobicContact CG-CB 4.28Å; L896-L898 HydrophobicContact CD2-CD2 3.52Å; L896-L898 HydrophobicContact CG-CD2 3.78Å; L898-M919 PolarHBondContact N-O 2.96Å; L898-M919 VanDerWaalsContact N-O 3.08Å; L898-T920 HydrophobicContact CD1-CG2 3.87Å; L898-T920 HydrophobicContact CD2-CG2 3.68Å; L898-T920 HydrophobicContact CG-CG2 3.53Å; L898-T920 VanDerWaalsContact O-CA 3.26Å; L898-T920 WeakPolarHBondContact O-CA 2.97Å; L898-Y1137 HydrophobicContact CD1-CD1 4.38Å; L898-Y1137 HydrophobicContact CD1-CD2 4.24Å; L898-Y1137 HydrophobicContact CD1-CE1 3.52Å; L898-Y1137 HydrophobicContact CD1-CE2 3.38Å; L898-Y1137 WeakPolarHBondContact CD1-OH 3.46Å; L898-Y1137 HydrophobicContact CD2-CE1 4.41Å; L898-Y1137 HydrophobicContact CD2-CE2 4.4Å; L898-Y1137 HydrophobicContact CG-CE2 4.48Å
899	K	91.2	Very high	83.1	Confident	4 Å²	4	34.6 Å²	34.6	2%	0.017	18%	0.18	C	C	.	.			trans	-113.1	-10	169.1	-60.9	-169.9	78.2	180	0	113.3	F839 F897 Y921 M929 Y931 E1101	F839-K899 HydrophobicContact CE1-CD 4.48Å; F839-K899 HydrophobicContact CZ-CB 4.24Å; F839-K899 HydrophobicContact CZ-CD 4.07Å; F839-K899 HydrophobicContact CZ-CG 4.21Å; F897-K899 HydrophobicContact CE2-CG 3.87Å; F897-K899 HydrophobicContact CZ-CD 4.32Å; F897-K899 HydrophobicContact CZ-CG 3.92Å; K899-Y921 VanDerWaalsContact O-CD1 3.29Å; K899-Y921 WeakPolarHBondContact O-CD1 3.25Å; K899-M929 HydrophobicContact CD-CE 3.85Å; K899-M929 HydrophobicContact CG-CE 4.24Å; K899-Y931 HydrophobicContact CB-CE1 4.46Å; K899-Y931 HydrophobicContact CB-CE2 3.88Å; K899-Y931 VanDerWaalsContact CB-OH 3.27Å; K899-Y931 WeakPolarHBondContact CB-OH 3.43Å; K899-Y931 HydrophobicContact CD-CE1 4.33Å; K899-Y931 VanDerWaalsContact NZ-CD1 3.3Å; K899-Y931 WeakPolarHBondContact O-CE2 3.43Å; K899-Y931 PolarHBondContact O-OH 3.43Å; K899-E1101 IonicContact NZ-OE1 3.61Å; K899-E1101 PolarHBondContact NZ-OE1 3.48Å
900	E	91.3	Very high	82.1	Confident	41 Å²	41	34.8 Å²	34.8	19%	0.192	18%	0.182	C	C	.	.	S	Bend	trans	-82.3	146.2	-179.8	-73.3	-59.5	132.2	0	0	112.8	F840 N904 V905 Y1137	F840-E900 HydrophobicContact CE2-CG 4.46Å; F840-E900 HydrophobicContact CZ-CG 3.79Å; E900-N904 HydrophobicContact CB-CB 4.22Å; E900-N904 PolarHBondContact OE2-ND2 3.31Å; E900-V905 HydrophobicContact CB-CG2 3.45Å; E900-V905 VanDerWaalsContact CB-CG2 3.45Å; E900-Y1137 PolarHBondContact O-OH 3.34Å
901	P	91.2	Very high	81.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.191	C	C	.	.			trans	-74.7	159.5	179.8	33.9	-34	0	0	0	111.1	P903 N904 Y1028	P901-P903 VanDerWaalsContact C-CD 3.41Å; P901-P903 VanDerWaalsContact O-N 3.13Å; P901-N904 HydrophobicContact CG-CB 4.39Å; P901-N904 PolarHBondContact O-N 2.85Å; P901-Y1028 HydrophobicContact CB-CD1 4.03Å; P901-Y1028 HydrophobicContact CB-CD2 3.9Å; P901-Y1028 HydrophobicContact CB-CE1 4.03Å; P901-Y1028 HydrophobicContact CB-CE2 3.89Å; P901-Y1028 HydrophobicContact CB-CG 3.94Å; P901-Y1028 VanDerWaalsContact CD-CZ 3.47Å; P901-Y1028 WeakPolarHBondContact CD-OH 3.26Å; P901-Y1028 HydrophobicContact CG-CD1 4.27Å; P901-Y1028 HydrophobicContact CG-CD2 4.39Å; P901-Y1028 HydrophobicContact CG-CE1 3.75Å; P901-Y1028 HydrophobicContact CG-CE2 3.89Å
902	P	87.8	Confident	81.2	Confident	11 Å²	11	39 Å²	39	7%	0.071	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-48.3	-42	-175.8	-27.7	31.9	0	0	0	116.2	N904 V905 Y921 Y1137 V1138	P902-N904 PolarHBondContact O-N 2.88Å; P902-N904 VanDerWaalsContact O-N 3.09Å; P902-V905 PolarHBondContact O-N 2.71Å; P902-V905 VanDerWaalsContact O-N 3.13Å; P902-Y921 WeakPolarHBondContact CD-OH 3.48Å; P902-Y1137 HydrophobicContact CB-CE1 4.47Å; P902-Y1137 HydrophobicContact CG-CD1 3.95Å; P902-Y1137 HydrophobicContact CG-CE1 3.78Å; P902-Y1137 VanDerWaalsContact CG-O 3.23Å; P902-Y1137 WeakPolarHBondContact CG-O 3.12Å; P902-V1138 HydrophobicContact CB-CB 4.48Å; P902-V1138 HydrophobicContact CB-CG1 4.27Å; P902-V1138 HydrophobicContact CB-CG2 4.46Å
903	P	80.2	Confident	80.6	Confident	67 Å²	67	40.4 Å²	40.4	44%	0.435	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-61.6	-20	178.8	-25.5	36.9	0	0	0	114.8	P901 P971 C1143	P901-P903 VanDerWaalsContact C-CD 3.41Å; P901-P903 VanDerWaalsContact O-N 3.13Å; P903-P971 HydrophobicContact CB-CB 4.16Å; P903-P971 HydrophobicContact CB-CG 3.79Å; P903-P971 HydrophobicContact CG-CB 4.4Å; P903-C1143 HydrophobicContact CG-CB 4.33Å
904	N	81.6	Confident	80.3	Confident	60 Å²	60	40.4 Å²	40.4	32%	0.321	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-101.4	-0	-178.6	-66.9	-6	0	0	0	113	E900 P901 P902	E900-N904 HydrophobicContact CB-CB 4.22Å; E900-N904 PolarHBondContact OE2-ND2 3.31Å; P901-N904 HydrophobicContact CG-CB 4.39Å; P901-N904 PolarHBondContact O-N 2.85Å; P902-N904 PolarHBondContact O-N 2.88Å; P902-N904 VanDerWaalsContact O-N 3.09Å
905	V	76.6	Confident	80.2	Confident	22 Å²	22	40.5 Å²	40.5	13%	0.133	21%	0.209	C	C	.	.			trans	-125.9	120.4	-176	-173.1	0	0	0	0	110.3	P876 E900 P902 L907	P876-V905 HydrophobicContact CB-CG1 4.01Å; P876-V905 HydrophobicContact CG-CG1 3.66Å; E900-V905 HydrophobicContact CB-CG2 3.45Å; E900-V905 VanDerWaalsContact CB-CG2 3.45Å; P902-V905 PolarHBondContact O-N 2.71Å; P902-V905 VanDerWaalsContact O-N 3.13Å; V905-L907 HydrophobicContact CG1-CD2 3.85Å; V905-L907 HydrophobicContact CG1-CG 3.89Å; V905-L907 PolarHBondContact O-N 3.1Å
906	N	73.8	Confident	80.1	Confident	88 Å²	88	40.5 Å²	40.5	47%	0.471	21%	0.209	S	C	.	.			trans	-86.9	85.7	171.4	-171.9	-11	0	0	0	110.6	L908 K909	N906-L908 PolarHBondContact O-N 2.01Å; N906-L908 WeakPolarHBondContact OD1-CB 3.4Å; N906-L908 PolarHBondContact OD1-N 2.99Å; N906-L908 VanDerWaalsContact OD1-N 3.1Å; N906-K909 PolarHBondContact O-N 2.95Å
907	L	71.4	Confident	80.2	Confident	5 Å²	5	41 Å²	41	3%	0.026	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-70.6	-13.7	176	-70.7	173.9	0	0	0	113.6	P876 L896 V905 K909 T910 I1133 V1134 Y1137 V1138	P876-L907 HydrophobicContact CB-CD2 4.35Å; L896-L907 HydrophobicContact CD2-CD2 3.94Å; V905-L907 HydrophobicContact CG1-CD2 3.85Å; V905-L907 HydrophobicContact CG1-CG 3.89Å; V905-L907 PolarHBondContact O-N 3.1Å; L907-K909 PolarHBondContact O-N 2.87Å; L907-T910 HydrophobicContact CD2-CG2 4.08Å; L907-T910 WeakPolarHBondContact O-CB 3.33Å; L907-T910 PolarHBondContact O-N 3.06Å; L907-T910 PolarHBondContact O-OG1 2.92Å; L907-I1133 HydrophobicContact CD1-CG2 3.93Å; L907-V1134 HydrophobicContact CB-CG2 4.47Å; L907-Y1137 HydrophobicContact CD1-CD1 3.62Å; L907-Y1137 HydrophobicContact CD1-CG 4.18Å; L907-V1138 HydrophobicContact CD1-CG2 3.78Å
908	L	59.4	Low	80.3	Confident	148 Å²	148	41 Å²	41	78%	0.775	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-67.1	-19.3	175.5	-60.7	170.1	0	0	0	112.3	N906 T910	N906-L908 PolarHBondContact O-N 2.01Å; N906-L908 WeakPolarHBondContact OD1-CB 3.4Å; N906-L908 PolarHBondContact OD1-N 2.99Å; N906-L908 VanDerWaalsContact OD1-N 3.1Å; L908-T910 PolarHBondContact O-N 3.48Å
909	K	56.9	Low	80.6	Confident	147 Å²	147	41 Å²	41	64%	0.639	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-74.8	-9.9	170.1	-69	-172.2	175.9	-174.7	0	113.7	N906 L907	N906-K909 PolarHBondContact O-N 2.95Å; L907-K909 PolarHBondContact O-N 2.87Å
910	T	60.9	Low	80.8	Confident	19 Å²	19	40.8 Å²	40.8	12%	0.117	21%	0.211	C	C	.	.	S	Bend	trans	-86.3	146.1	177.8	69.2	0	0	0	0	111	P876 I879 L907 L908 K912 F915	P876-T910 HydrophobicContact CB-CG2 4.25Å; I879-T910 HydrophobicContact CD1-CG2 4.29Å; L907-T910 HydrophobicContact CD2-CG2 4.08Å; L907-T910 WeakPolarHBondContact O-CB 3.33Å; L907-T910 PolarHBondContact O-N 3.06Å; L907-T910 PolarHBondContact O-OG1 2.92Å; L908-T910 PolarHBondContact O-N 3.48Å; T910-K912 PolarHBondContact O-N 3.47Å; T910-F915 HydrophobicContact CG2-CE2 4.23Å
911	V	64.2	Low	81	Confident	71 Å²	71	38.9 Å²	38.9	43%	0.43	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-72.7	118.6	176.7	178	0	0	0	0	108	M884 D913 F914	M884-V911 HydrophobicContact CE-CB 4.29Å; M884-V911 HydrophobicContact CE-CG2 3.5Å; M884-V911 VanDerWaalsContact CE-CG2 3.5Å; V911-D913 PolarHBondContact O-N 2.97Å; V911-F914 HydrophobicContact CB-CB 4.01Å; V911-F914 HydrophobicContact CG1-CB 4.21Å; V911-F914 VanDerWaalsContact O-CB 3.26Å; V911-F914 WeakPolarHBondContact O-CB 3.44Å; V911-F914 PolarHBondContact O-N 2.92Å
912	K	69.2	Low	81.1	Confident	119 Å²	119	39 Å²	39	52%	0.517	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	138.9	176.3	-163.6	-168.9	169	179.7	0	109.7	L790 T910 F914	L790-K912 HydrophobicContact CD1-CD 4.44Å; T910-K912 PolarHBondContact O-N 3.47Å; K912-F914 PolarHBondContact O-N 3.2Å
913	D	75.9	Confident	81.4	Confident	30 Å²	30	44 Å²	44	16%	0.16	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	11.6	176.3	-48.1	-61	0	0	0	116.3	L790 V911 R1126	L790-D913 WeakPolarHBondContact CD1-OD2 3.44Å; L790-D913 HydrophobicContact CD2-CB 4.38Å; L790-D913 WeakPolarHBondContact CD2-OD2 3.46Å; V911-D913 PolarHBondContact O-N 2.97Å; D913-R1126 VanDerWaalsContact CB-NH1 3.32Å; D913-R1126 VanDerWaalsContact CG-NH1 3.35Å; D913-R1126 IonicContact OD1-CZ 3.82Å; D913-R1126 IonicContact OD1-NH1 3.09Å; D913-R1126 PolarHBondContact OD1-NH1 3.44Å; D913-R1126 IonicContact OD1-NH2 3.95Å
914	F	86.2	Confident	82	Confident	14 Å²	14	43.9 Å²	43.9	6%	0.061	22%	0.216	C	C	.	.			trans	-79.8	-41.6	-179.8	-175.5	-103.1	0	0	0	113.9	F874 M884 P885 R888 Y894 V911 K912	F874-F914 HydrophobicContact CD2-CE1 4.43Å; F874-F914 HydrophobicContact CE1-CE1 4.2Å; F874-F914 AromaticContact CE2-CE1 3.82Å; F874-F914 HydrophobicContact CE2-CE1 3.82Å; F874-F914 HydrophobicContact CE2-CZ 4.45Å; F874-F914 AromaticContact CZ-CE1 3.7Å; F874-F914 HydrophobicContact CZ-CE1 3.7Å; F874-F914 HydrophobicContact CZ-CZ 4.02Å; M884-F914 HydrophobicContact SD-CD1 4.46Å; M884-F914 HydrophobicContact SD-CE1 4.24Å; P885-F914 WeakPolarHBondContact O-CE2 3.42Å; R888-F914 WeakPolarHBondContact CD-O 3.4Å; R888-F914 HydrophobicContact CG-CD2 4.04Å; R888-F914 HydrophobicContact CG-CE2 3.98Å; R888-F914 PolarHBondContact NH1-O 3.41Å; Y894-F914 HydrophobicContact CD1-CD1 4.46Å; Y894-F914 AromaticContact CD1-CE1 3.56Å; Y894-F914 HydrophobicContact CD1-CE1 3.56Å; Y894-F914 HydrophobicContact CD1-CE2 4.19Å; Y894-F914 AromaticContact CD1-CZ 3.39Å; Y894-F914 HydrophobicContact CD1-CZ 3.39Å; Y894-F914 HydrophobicContact CE1-CE1 4.34Å; Y894-F914 HydrophobicContact CE1-CE2 4.33Å; Y894-F914 AromaticContact CE1-CZ 3.72Å; Y894-F914 HydrophobicContact CE1-CZ 3.72Å; Y894-F914 HydrophobicContact CG-CE1 4.24Å; Y894-F914 HydrophobicContact CG-CZ 4.3Å; V911-F914 HydrophobicContact CB-CB 4.01Å; V911-F914 HydrophobicContact CG1-CB 4.21Å; V911-F914 VanDerWaalsContact O-CB 3.26Å; V911-F914 WeakPolarHBondContact O-CB 3.44Å; V911-F914 PolarHBondContact O-N 2.92Å; K912-F914 PolarHBondContact O-N 3.2Å
915	F	92.3	Very high	82.7	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.009	20%	0.203	C	C	.	.			trans	-77.8	146.5	-176	-58.8	-75.1	0	0	0	111.9	F874 I879 Y894 L896 T910 R1126 I1133	F874-F915 HydrophobicContact CB-CE1 3.76Å; F874-F915 HydrophobicContact CB-CZ 4.2Å; F874-F915 HydrophobicContact CD2-CD1 4.38Å; F874-F915 AromaticContact CD2-CE1 3.67Å; F874-F915 HydrophobicContact CD2-CE1 3.67Å; F874-F915 HydrophobicContact CE2-CE1 4.46Å; F874-F915 AromaticContact CG-CE1 3.83Å; F874-F915 HydrophobicContact CG-CE1 3.83Å; F874-F915 HydrophobicContact CG-CZ 4.46Å; I879-F915 HydrophobicContact CD1-CZ 3.88Å; Y894-F915 CarbonylContact O-C 3.48Å; Y894-F915 VanDerWaalsContact O-CA 3.31Å; Y894-F915 WeakPolarHBondContact O-CA 3.42Å; Y894-F915 WeakPolarHBondContact O-CB 3.3Å; L896-F915 HydrophobicContact CB-CB 4.19Å; L896-F915 HydrophobicContact CB-CD1 3.73Å; L896-F915 HydrophobicContact CB-CD2 3.9Å; L896-F915 HydrophobicContact CB-CE1 4.07Å; L896-F915 HydrophobicContact CB-CE2 4.2Å; L896-F915 HydrophobicContact CB-CG 3.65Å; L896-F915 HydrophobicContact CB-CZ 4.29Å; L896-F915 HydrophobicContact CD1-CD2 4.27Å; L896-F915 HydrophobicContact CD1-CE1 4.12Å; L896-F915 HydrophobicContact CD1-CE2 3.72Å; L896-F915 HydrophobicContact CD1-CZ 3.64Å; L896-F915 HydrophobicContact CD2-CD2 4.46Å; L896-F915 HydrophobicContact CG-CD2 4.43Å; L896-F915 HydrophobicContact CG-CE2 4.36Å; T910-F915 HydrophobicContact CG2-CE2 4.23Å; F915-R1126 WeakPolarHBondContact O-CD 3.43Å; F915-R1126 WeakPolarHBondContact O-CG 3.24Å; F915-I1133 HydrophobicContact CB-CD1 3.68Å; F915-I1133 HydrophobicContact CD2-CD1 3.59Å; F915-I1133 HydrophobicContact CG-CD1 4.02Å
916	T	94.3	Very high	83.7	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.006	21%	0.207	C	C	.	.	S	Bend	trans	-102.3	-29.1	174.2	59.6	0	0	0	0	113.1	H893 Y894 A1124 R1126 S1127 A1130	H893-T916 WeakPolarHBondContact CA-OG1 3.41Å; H893-T916 WeakPolarHBondContact CB-OG1 3.48Å; H893-T916 PolarHBondContact ND1-OG1 3.14Å; H893-T916 VanDerWaalsContact ND1-OG1 3.07Å; Y894-T916 PolarHBondContact N-OG1 3Å; Y894-T916 PolarHBondContact O-N 2.9Å; Y894-T916 PolarHBondContact O-OG1 3.27Å; T916-A1124 HydrophobicContact CG2-CB 4.35Å; T916-A1124 WeakPolarHBondContact CG2-O 3.23Å; T916-R1126 WeakPolarHBondContact O-CA 3.42Å; T916-S1127 PolarHBondContact O-N 3.48Å; T916-S1127 PolarHBondContact O-OG 2.96Å; T916-A1130 WeakPolarHBondContact O-CB 3.23Å
917	L	95.9	Very high	84.8	Confident	11 Å²	11	38.1 Å²	38.1	6%	0.058	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	156.6	179.1	-60.6	174.9	0	0	0	110.3	H893 Y894 I895 L896 D926 V1115	H893-L917 HydrophobicContact CB-CD1 3.94Å; H893-L917 HydrophobicContact CB-CG 4.39Å; Y894-L917 PolarHBondContact O-N 3.15Å; I895-L917 WeakPolarHBondContact CA-O 3.3Å; I895-L917 HydrophobicContact CG1-CB 4.11Å; I895-L917 HydrophobicContact CG1-CD1 4.38Å; L896-L917 PolarHBondContact N-O 3.08Å; L917-D926 WeakPolarHBondContact CA-OD2 3.04Å; L917-D926 HydrophobicContact CB-CB 4.36Å; L917-D926 HydrophobicContact CD2-CB 4.09Å; L917-V1115 HydrophobicContact CD1-CG1 3.98Å
918	T	95.8	Very high	85.9	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	135.8	172.8	64.2	0	0	0	0	111.5	S925 D926 I927 S1129 A1130 I1133 W1136	T918-S925 WeakPolarHBondContact OG1-CB 3.35Å; T918-D926 PolarHBondContact N-OD2 2.92Å; T918-D926 PolarHBondContact O-N 3.11Å; T918-I927 PolarHBondContact O-N 2.9Å; T918-S1129 VanDerWaalsContact OG1-CB 3.23Å; T918-S1129 WeakPolarHBondContact OG1-CB 3.28Å; T918-S1129 PolarHBondContact OG1-OG 3.38Å; T918-A1130 HydrophobicContact CG2-CB 4.22Å; T918-I1133 HydrophobicContact CG2-CD1 4.41Å; T918-I1133 HydrophobicContact CG2-CG1 4.22Å; T918-W1136 HydrophobicContact CG2-CE3 4.35Å; T918-W1136 HydrophobicContact CG2-CH2 4.36Å; T918-W1136 HydrophobicContact CG2-CZ3 3.84Å
919	M	97.4	Very high	87.6	Confident	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	101.6	175.8	-177.6	166	88.1	0	0	109.3	V873 I895 L896 F897 L898 I927 M929 F1109 L1112	V873-M919 HydrophobicContact CG1-CE 4.36Å; I895-M919 HydrophobicContact CG2-CB 3.74Å; L896-M919 PolarHBondContact O-N 3.48Å; F897-M919 WeakPolarHBondContact CA-O 3.4Å; F897-M919 HydrophobicContact CB-CE 3.95Å; F897-M919 HydrophobicContact CD1-CE 4.39Å; F897-M919 HydrophobicContact CD2-CB 4.28Å; F897-M919 HydrophobicContact CD2-CE 3.3Å; F897-M919 HydrophobicContact CD2-CG 3.98Å; F897-M919 WeakPolarHBondContact CD2-O 3.5Å; F897-M919 HydrophobicContact CD2-SD 4.49Å; F897-M919 HydrophobicContact CE2-CE 3.93Å; F897-M919 HydrophobicContact CG-CE 3.6Å; L898-M919 PolarHBondContact N-O 2.96Å; L898-M919 VanDerWaalsContact N-O 3.08Å; M919-I927 CarbonylContact C-O 3.04Å; M919-I927 VanDerWaalsContact CA-O 3.26Å; M919-I927 WeakPolarHBondContact CA-O 3.27Å; M919-I927 HydrophobicContact CB-CB 3.89Å; M919-I927 HydrophobicContact CB-CG1 4.47Å; M919-I927 HydrophobicContact CB-CG2 4.43Å; M919-I927 HydrophobicContact CG-CB 3.71Å; M919-I927 HydrophobicContact CG-CG2 3.71Å; M919-I927 HydrophobicContact SD-CB 4.19Å; M919-I927 HydrophobicContact SD-CG2 3.76Å; M919-M929 HydrophobicContact CE-SD 4.05Å; M919-M929 HydrophobicContact CG-CB 4.31Å; M919-M929 HydrophobicContact CG-SD 4.23Å; M919-M929 HydrophobicContact SD-SD 4.24Å; M919-F1109 HydrophobicContact CE-CE1 4.48Å; M919-F1109 HydrophobicContact CE-CZ 4.28Å; M919-L1112 HydrophobicContact SD-CD2 4.18Å
920	T	95.5	Very high	89.3	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	174.1	-166.5	85	0	0	0	0	113.4	L898 R922 S925 I927 M929 W1136	L898-T920 HydrophobicContact CD1-CG2 3.87Å; L898-T920 HydrophobicContact CD2-CG2 3.68Å; L898-T920 HydrophobicContact CG-CG2 3.53Å; L898-T920 VanDerWaalsContact O-CA 3.26Å; L898-T920 WeakPolarHBondContact O-CA 2.97Å; T920-R922 PolarHBondContact O-N 2.95Å; T920-R922 WeakPolarHBondContact OG1-CB 3.37Å; T920-R922 PolarHBondContact OG1-N 3.26Å; T920-S925 PolarHBondContact O-OG 3Å; T920-S925 WeakPolarHBondContact OG1-CB 3.09Å; T920-S925 PolarHBondContact OG1-OG 3.4Å; T920-I927 PolarHBondContact N-O 3.25Å; T920-I927 VanDerWaalsContact N-O 3.1Å; T920-M929 PolarHBondContact O-N 3.49Å; T920-W1136 HydrophobicContact CG2-CH2 3.82Å; T920-W1136 HydrophobicContact CG2-CZ3 4.17Å
921	Y	94	Very high	90.7	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.008	13%	0.127	C	C	.	.	S	Bend	trans	-71.8	-9.7	169.8	72.5	-103	0	0	0	113.9	K899 P902 R923 Y928 D1027 Y1028 Y1137	K899-Y921 VanDerWaalsContact O-CD1 3.29Å; K899-Y921 WeakPolarHBondContact O-CD1 3.25Å; P902-Y921 WeakPolarHBondContact CD-OH 3.48Å; Y921-R923 PolarHBondContact O-N 3.32Å; Y921-Y928 WeakPolarHBondContact O-CE2 3.22Å; Y921-D1027 HydrophobicContact CD2-CB 4.35Å; Y921-D1027 WeakPolarHBondContact CD2-O 3.24Å; Y921-D1027 HydrophobicContact CE2-CB 4.48Å; Y921-Y1028 AromaticContact CD1-CD2 3.72Å; Y921-Y1028 HydrophobicContact CD1-CD2 3.72Å; Y921-Y1028 HydrophobicContact CD1-CE2 4.21Å; Y921-Y1028 HydrophobicContact CD2-CD2 4.12Å; Y921-Y1028 AromaticContact CE1-CD2 3.33Å; Y921-Y1028 HydrophobicContact CE1-CD2 3.33Å; Y921-Y1028 AromaticContact CE1-CE2 3.94Å; Y921-Y1028 HydrophobicContact CE1-CE2 3.94Å; Y921-Y1028 HydrophobicContact CE1-CG 4.29Å; Y921-Y1028 AromaticContact CE2-CD2 3.87Å; Y921-Y1028 HydrophobicContact CE2-CD2 3.87Å; Y921-Y1028 HydrophobicContact CE2-CG 4.21Å; Y921-Y1028 HydrophobicContact CG-CD2 4.1Å; Y921-Y1028 AromaticContact CZ-CD2 3.49Å; Y921-Y1028 VanDerWaalsContact CZ-CD2 3.49Å; Y921-Y1137 HydrophobicContact CE1-CE2 4.45Å; Y921-Y1137 AromaticContact CE1-CZ 3.96Å; Y921-Y1137 WeakPolarHBondContact CE1-OH 3.15Å; Y921-Y1137 PolarHBondContact OH-OH 2.83Å; Y921-Y1137 VanDerWaalsContact OH-OH 3.09Å
922	R	94.5	Very high	91.9	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.008	11%	0.107	C	C	.	.	S	Bend	trans	-72	133.4	177.2	-75.5	-174.3	59.6	146	-11.9	110.4	T920 D924 S925 Y928 W1136 Y1137 D1140	T920-R922 PolarHBondContact O-N 2.95Å; T920-R922 WeakPolarHBondContact OG1-CB 3.37Å; T920-R922 PolarHBondContact OG1-N 3.26Å; R922-D924 WeakPolarHBondContact CB-OD1 3.33Å; R922-D924 IonicContact CZ-OD1 2.78Å; R922-D924 IonicContact CZ-OD2 2.66Å; R922-D924 IonicContact NE-OD1 2.73Å; R922-D924 PolarHBondContact NE-OD1 2.72Å; R922-D924 IonicContact NE-OD2 3.21Å; R922-D924 IonicContact NH2-OD1 3.76Å; R922-D924 PolarHBondContact NH2-OD1 2.82Å; R922-D924 IonicContact NH2-OD2 3.39Å; R922-D924 PolarHBondContact NH2-OD2 2.67Å; R922-D924 PolarHBondContact O-N 2.74Å; R922-S925 WeakPolarHBondContact O-CB 3.11Å; R922-S925 PolarHBondContact O-N 3.1Å; R922-S925 PolarHBondContact O-OG 2.96Å; R922-Y928 WeakPolarHBondContact O-CD2 3.46Å; R922-W1136 HydrophobicContact CB-CH2 4.18Å; R922-W1136 HydrophobicContact CB-CZ2 3.83Å; R922-W1136 HydrophobicContact CG-CZ2 4.36Å; R922-W1136 PolarHBondContact NH1-O 3.23Å; R922-Y1137 HydrophobicContact CG-CD2 4.36Å; R922-Y1137 HydrophobicContact CG-CE2 3.96Å; R922-D1140 PolarHBondContact NH1-O 3.44Å
923	R	92.7	Very high	92.9	Very high	115 Å²	115	22.2 Å²	22.2	43%	0.434	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.7	-179.3	-69.6	-177.4	-69.1	170.5	-3.6	113	Y921 Y928 D1027 F1054	Y921-R923 PolarHBondContact O-N 3.32Å; R923-Y928 HydrophobicContact CG-CD2 4.45Å; R923-Y928 HydrophobicContact CG-CE1 4.16Å; R923-Y928 HydrophobicContact CG-CE2 3.93Å; R923-D1027 IonicContact CZ-OD1 2.63Å; R923-D1027 VanDerWaalsContact CZ-OD1 3.25Å; R923-D1027 PolarHBondContact N-OD2 3.19Å; R923-D1027 IonicContact NE-OD1 3.69Å; R923-D1027 PolarHBondContact NE-OD1 2.84Å; R923-D1027 IonicContact NE-OD2 2.87Å; R923-D1027 IonicContact NH2-OD1 2.73Å; R923-D1027 PolarHBondContact NH2-OD1 3.5Å; R923-F1054 HydrophobicContact CG-CE1 3.98Å; R923-F1054 HydrophobicContact CG-CZ 4.26Å
924	D	94.2	Very high	93.6	Very high	66 Å²	66	21.4 Å²	21.4	35%	0.353	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	14.3	177.7	61.4	6.1	0	0	0	114	R922 K1026 W1136	R922-D924 WeakPolarHBondContact CB-OD1 3.33Å; R922-D924 IonicContact CZ-OD1 2.78Å; R922-D924 IonicContact CZ-OD2 2.66Å; R922-D924 IonicContact NE-OD1 2.73Å; R922-D924 PolarHBondContact NE-OD1 2.72Å; R922-D924 IonicContact NE-OD2 3.21Å; R922-D924 IonicContact NH2-OD1 3.76Å; R922-D924 PolarHBondContact NH2-OD1 2.82Å; R922-D924 IonicContact NH2-OD2 3.39Å; R922-D924 PolarHBondContact NH2-OD2 2.67Å; R922-D924 PolarHBondContact O-N 2.74Å; D924-K1026 IonicContact OD2-NZ 3.99Å; D924-K1026 PolarHBondContact OD2-NZ 2.92Å; D924-W1136 WeakPolarHBondContact OD1-CZ2 3.47Å; D924-W1136 PolarHBondContact OD1-NE1 2.67Å; D924-W1136 VanDerWaalsContact OD1-NE1 3.17Å
925	S	96	Very high	93.7	Very high	8 Å²	8	24.4 Å²	24.4	6%	0.056	11%	0.109	C	C	.	.	S	Bend	trans	-79.8	155	167.4	64	0	0	0	0	111.9	T918 T920 R922 I927 Y928	T918-S925 WeakPolarHBondContact OG1-CB 3.35Å; T920-S925 PolarHBondContact O-OG 3Å; T920-S925 WeakPolarHBondContact OG1-CB 3.09Å; T920-S925 PolarHBondContact OG1-OG 3.4Å; R922-S925 WeakPolarHBondContact O-CB 3.11Å; R922-S925 PolarHBondContact O-N 3.1Å; R922-S925 PolarHBondContact O-OG 2.96Å; S925-I927 VanDerWaalsContact C-N 3.26Å; S925-I927 PolarHBondContact O-N 3.07Å; S925-I927 PolarHBondContact OG-O 3.17Å; S925-Y928 WeakPolarHBondContact OG-CA 3.39Å
926	D	96.4	Very high	93.5	Very high	40 Å²	40	31.9 Å²	31.9	21%	0.214	14%	0.141	C	C	.	.	S	Bend	trans	-57.5	-45.3	-180	-58.7	-70.1	0	0	0	111.1	L917 T918 R1111 S1127 S1129	L917-D926 WeakPolarHBondContact CA-OD2 3.04Å; L917-D926 HydrophobicContact CB-CB 4.36Å; L917-D926 HydrophobicContact CD2-CB 4.09Å; T918-D926 PolarHBondContact N-OD2 2.92Å; T918-D926 PolarHBondContact O-N 3.11Å; D926-R1111 PolarHBondContact O-NE 2.82Å; D926-S1127 VanDerWaalsContact CG-CB 3.43Å; D926-S1127 WeakPolarHBondContact OD1-CB 3.49Å; D926-S1127 PolarHBondContact OD1-OG 3.16Å; D926-S1127 VanDerWaalsContact OD2-CB 3.29Å; D926-S1127 WeakPolarHBondContact OD2-CB 3.26Å; D926-S1127 PolarHBondContact OD2-OG 2.8Å; D926-S1129 PolarHBondContact OD2-OG 2.81Å
927	I	97.4	Very high	93	Very high	0 Å²	0	34 Å²	34	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	92.6	175.6	-45.4	-57.1	0	0	0	108.8	T918 M919 T920 S925 M929 A1108 R1111 L1112 V1115	T918-I927 PolarHBondContact O-N 2.9Å; M919-I927 CarbonylContact C-O 3.04Å; M919-I927 VanDerWaalsContact CA-O 3.26Å; M919-I927 WeakPolarHBondContact CA-O 3.27Å; M919-I927 HydrophobicContact CB-CB 3.89Å; M919-I927 HydrophobicContact CB-CG1 4.47Å; M919-I927 HydrophobicContact CB-CG2 4.43Å; M919-I927 HydrophobicContact CG-CB 3.71Å; M919-I927 HydrophobicContact CG-CG2 3.71Å; M919-I927 HydrophobicContact SD-CB 4.19Å; M919-I927 HydrophobicContact SD-CG2 3.76Å; T920-I927 PolarHBondContact N-O 3.25Å; T920-I927 VanDerWaalsContact N-O 3.1Å; S925-I927 VanDerWaalsContact C-N 3.26Å; S925-I927 PolarHBondContact O-N 3.07Å; S925-I927 PolarHBondContact OG-O 3.17Å; I927-M929 PolarHBondContact O-N 3.24Å; I927-A1108 HydrophobicContact CG2-CB 4.15Å; I927-A1108 VanDerWaalsContact CG2-O 3.26Å; I927-A1108 WeakPolarHBondContact CG2-O 3.32Å; I927-R1111 HydrophobicContact CD1-CG 4.13Å; I927-L1112 HydrophobicContact CD1-CB 4.12Å; I927-L1112 HydrophobicContact CD1-CD1 4.3Å; I927-L1112 HydrophobicContact CG1-CB 4.16Å; I927-L1112 HydrophobicContact CG1-CD1 4.12Å; I927-L1112 HydrophobicContact CG2-CB 4.24Å; I927-V1115 HydrophobicContact CD1-CB 4.13Å; I927-V1115 HydrophobicContact CD1-CG2 3.74Å
928	Y	95.2	Very high	92.3	Very high	48 Å²	48	43.1 Å²	43.1	19%	0.188	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	119	174.3	175.8	-134.9	0	0	0	110.9	Y921 R922 R923 S925 P930 W933 F1054	Y921-Y928 WeakPolarHBondContact O-CE2 3.22Å; R922-Y928 WeakPolarHBondContact O-CD2 3.46Å; R923-Y928 HydrophobicContact CG-CD2 4.45Å; R923-Y928 HydrophobicContact CG-CE1 4.16Å; R923-Y928 HydrophobicContact CG-CE2 3.93Å; S925-Y928 WeakPolarHBondContact OG-CA 3.39Å; Y928-P930 HydrophobicContact CD1-CG 4.43Å; Y928-P930 HydrophobicContact CE1-CB 4.34Å; Y928-P930 HydrophobicContact CE1-CG 3.83Å; Y928-P930 HydrophobicContact CE2-CB 3.67Å; Y928-P930 HydrophobicContact CE2-CG 3.91Å; Y928-P930 WeakPolarHBondContact OH-CB 3.48Å; Y928-W933 HydrophobicContact CE1-CE3 4.39Å; Y928-W933 HydrophobicContact CE1-CZ3 4.19Å; Y928-F1054 VanDerWaalsContact OH-CE1 3.23Å; Y928-F1054 WeakPolarHBondContact OH-CE1 3.39Å
929	M	94.5	Very high	91.4	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	23%	0.231	C	C	.	.			trans	-131	79.4	-177.6	-170.4	169.2	130.1	0	0	110.1	F844 F897 K899 M919 T920 I927 Q1105 A1108	F844-M929 HydrophobicContact CZ-CE 4.49Å; F897-M929 HydrophobicContact CD2-CE 4.32Å; F897-M929 HydrophobicContact CD2-SD 4.43Å; F897-M929 HydrophobicContact CE2-CE 3.18Å; F897-M929 HydrophobicContact CE2-SD 3.73Å; F897-M929 HydrophobicContact CZ-CE 3.31Å; F897-M929 HydrophobicContact CZ-SD 4.37Å; K899-M929 HydrophobicContact CD-CE 3.85Å; K899-M929 HydrophobicContact CG-CE 4.24Å; M919-M929 HydrophobicContact CE-SD 4.05Å; M919-M929 HydrophobicContact CG-CB 4.31Å; M919-M929 HydrophobicContact CG-SD 4.23Å; M919-M929 HydrophobicContact SD-SD 4.24Å; T920-M929 PolarHBondContact O-N 3.49Å; I927-M929 PolarHBondContact O-N 3.24Å; M929-Q1105 HydrophobicContact CE-CG 4.35Å; M929-A1108 HydrophobicContact CB-CB 3.78Å; M929-A1108 HydrophobicContact CG-CB 3.66Å; M929-A1108 HydrophobicContact SD-CB 3.98Å
930	P	92.5	Very high	90	Very high	14 Å²	14	56.6 Å²	56.6	9%	0.091	27%	0.266	C	S	.	.			trans	-71.6	172.8	178.8	29.1	-32.9	0	0	0	113	Y928 M1104	Y928-P930 HydrophobicContact CD1-CG 4.43Å; Y928-P930 HydrophobicContact CE1-CB 4.34Å; Y928-P930 HydrophobicContact CE1-CG 3.83Å; Y928-P930 HydrophobicContact CE2-CB 3.67Å; Y928-P930 HydrophobicContact CE2-CG 3.91Å; Y928-P930 WeakPolarHBondContact OH-CB 3.48Å; P930-M1104 HydrophobicContact CG-SD 4.39Å
931	Y	90.8	Very high	89	Confident	19 Å²	19	59.5 Å²	59.5	8%	0.075	28%	0.28	C	S	.	.	S	Bend	trans	-82.6	-19.3	168.8	-72	-97.6	0	0	0	113.3	K899 Y1028 V1029 T1030 E1031	K899-Y931 HydrophobicContact CB-CE1 4.46Å; K899-Y931 HydrophobicContact CB-CE2 3.88Å; K899-Y931 VanDerWaalsContact CB-OH 3.27Å; K899-Y931 WeakPolarHBondContact CB-OH 3.43Å; K899-Y931 HydrophobicContact CD-CE1 4.33Å; K899-Y931 VanDerWaalsContact NZ-CD1 3.3Å; K899-Y931 WeakPolarHBondContact O-CE2 3.43Å; K899-Y931 PolarHBondContact O-OH 3.43Å; Y931-Y1028 HydrophobicContact CE2-CE2 4.24Å; Y931-V1029 WeakPolarHBondContact CD2-O 3.33Å; Y931-T1030 HydrophobicContact CD2-CG2 4.19Å; Y931-T1030 HydrophobicContact CE2-CG2 4.02Å; Y931-E1031 VanDerWaalsContact CD1-OE2 3.31Å; Y931-E1031 WeakPolarHBondContact CD1-OE2 3.42Å; Y931-E1031 WeakPolarHBondContact CE1-OE2 3.15Å
932	G	89	Confident	88.1	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.01	31%	0.307	C	S	.	.			trans	-167.7	160.1	-173.1	0	0	0	0	0	113.2	F1034 M1104	G932-F1034 VanDerWaalsContact CA-CG 3.46Å; G932-F1034 WeakPolarHBondContact O-CZ 3.49Å; G932-M1104 WeakPolarHBondContact CA-SD 3.2Å
933	W	89.4	Confident	87.1	Confident	93 Å²	93	69.1 Å²	69.1	35%	0.352	33%	0.331	S	S	.	.			trans	-155.4	142.5	178.4	-170	-97.1	0	0	0	110.1	Y928 F1054 M1099 M1104	Y928-W933 HydrophobicContact CE1-CE3 4.39Å; Y928-W933 HydrophobicContact CE1-CZ3 4.19Å; W933-F1054 HydrophobicContact CZ3-CD1 4.19Å; W933-M1099 PolarHBondContact O-N 2.94Å; W933-M1104 HydrophobicContact CB-CG 4.39Å; W933-M1104 HydrophobicContact CB-SD 3.5Å; W933-M1104 VanDerWaalsContact CB-SD 3.5Å; W933-M1104 PolarHBondContact N-SD 2.76Å
934	V	91.5	Very high	86.4	Confident	13 Å²	13	67.5 Å²	67.5	8%	0.079	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.9	171.6	-179.9	0	0	0	0	108	F1034 L1037 L1055 P1056 W1092 H1096 E1097 V1098	V934-F1034 HydrophobicContact CG2-CD1 4.4Å; V934-F1034 HydrophobicContact CG2-CE1 4.45Å; V934-L1037 HydrophobicContact CG2-CD1 4Å; V934-L1055 HydrophobicContact CG2-CD2 3.87Å; V934-P1056 HydrophobicContact CG1-CG 3.78Å; V934-W1092 HydrophobicContact CG1-CE3 4.08Å; V934-W1092 HydrophobicContact CG1-CZ3 3.93Å; V934-H1096 HydrophobicContact CG1-CB 3.68Å; V934-E1097 WeakPolarHBondContact CA-O 3.4Å; V934-V1098 HydrophobicContact CG2-CG2 4.46Å
935	K	87.6	Confident	85.6	Confident	78 Å²	78	68 Å²	68	34%	0.339	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	153.4	178.9	62.3	166.9	176.8	153.1	0	110.8	H1096 E1097 M1099	K935-H1096 CarbonylContact O-C 3.49Å; K935-H1096 WeakPolarHBondContact O-CA 3.32Å; K935-H1096 WeakPolarHBondContact O-CB 2.98Å; K935-E1097 HydrophobicContact CD-CG 4.39Å; K935-E1097 WeakPolarHBondContact CE-OE1 3.41Å; K935-E1097 HydrophobicContact CG-CG 3.9Å; K935-E1097 PolarHBondContact N-O 2.87Å; K935-E1097 IonicContact NZ-OE1 2.77Å; K935-E1097 PolarHBondContact NZ-OE1 2.96Å; K935-E1097 PolarHBondContact O-N 3.09Å; K935-M1099 HydrophobicContact CB-CE 4.43Å; K935-M1099 HydrophobicContact CD-CE 3.74Å; K935-M1099 HydrophobicContact CG-CE 4.32Å
936	K	88.5	Confident	84.7	Confident	158 Å²	158	69.1 Å²	69.1	69%	0.687	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	136.6	171.7	-164.2	178.5	-179.9	-179.2	0	109.4	S1095	K936-S1095 CarbonylContact C-O 3.59Å; K936-S1095 WeakPolarHBondContact CA-O 3.23Å; K936-S1095 VanDerWaalsContact CG-O 3.3Å; K936-S1095 WeakPolarHBondContact CG-O 3.25Å
937	M	84.5	Confident	83.8	Confident	46 Å²	46	69.5 Å²	69.5	23%	0.227	35%	0.353	C	S	.	.			trans	-79	146.4	174.9	-64.9	176.3	70.9	0	0	110.4	I941 S1095 E1097	M937-I941 HydrophobicContact CE-CD1 4.01Å; M937-I941 HydrophobicContact CE-CG1 3.84Å; M937-I941 HydrophobicContact SD-CD1 3.99Å; M937-I941 HydrophobicContact SD-CG1 4.24Å; M937-S1095 PolarHBondContact N-O 3.35Å; M937-E1097 HydrophobicContact CG-CB 3.92Å; M937-E1097 HydrophobicContact CG-CG 3.71Å; M937-E1097 HydrophobicContact SD-CB 4.09Å; M937-E1097 HydrophobicContact SD-CG 4.47Å
938	E	80.1	Confident	83	Confident	203 Å²	203	73 Å²	73	95%	0.949	37%	0.374	S	S	*	.	S	Bend	trans	-79.6	-33.1	175.5	-68.2	-178	173.1	0	0	112.4
939	K	77.9	Confident	82.5	Confident	178 Å²	178	75.3 Å²	75.3	77%	0.774	39%	0.385	S	S	*	.	S	Bend	trans	-112.3	129.9	177.2	-67.8	-178.5	-179.7	-179.7	0	109.5
940	S	68.6	Low	82	Confident	105 Å²	105	75.7 Å²	75.7	73%	0.734	39%	0.388	S	S	*	.			trans	-69.1	144	172.6	52.7	0	0	0	0	110.9
941	I	72.8	Confident	81.6	Confident	61 Å²	61	78.1 Å²	78.1	31%	0.313	40%	0.399	S	S	.	.			trans	-75.7	151.2	174.1	-60	173.1	0	0	0	109.5	M937 I943 W946	M937-I941 HydrophobicContact CE-CD1 4.01Å; M937-I941 HydrophobicContact CE-CG1 3.84Å; M937-I941 HydrophobicContact SD-CD1 3.99Å; M937-I941 HydrophobicContact SD-CG1 4.24Å; I941-I943 PolarHBondContact O-N 3.07Å; I941-W946 HydrophobicContact CG2-CB 3.75Å; I941-W946 HydrophobicContact CG2-CG 4.04Å
942	N	75.3	Confident	81.4	Confident	107 Å²	107	82 Å²	82	57%	0.572	42%	0.418	S	S	*	.			trans	-62.8	106	168.7	-175.9	-19.2	0	0	0	110	S944 W946	N942-S944 PolarHBondContact O-N 2.94Å; N942-S944 PolarHBondContact OD1-N 3.42Å; N942-S944 PolarHBondContact OD1-OG 3.21Å; N942-S944 VanDerWaalsContact OD1-OG 3.06Å; N942-W946 WeakPolarHBondContact O-CB 3.42Å; N942-W946 PolarHBondContact O-N 2.72Å; N942-W946 VanDerWaalsContact O-N 3.15Å
943	I	74.8	Confident	81.2	Confident	99 Å²	99	82.9 Å²	82.9	51%	0.508	42%	0.423	S	S	.	.	H	α-helix	trans	-61.1	-42.5	-169.1	-61.9	172.5	0	0	0	111.7	I941 W946 T947	I941-I943 PolarHBondContact O-N 3.07Å; I943-W946 PolarHBondContact O-N 2.81Å; I943-T947 VanDerWaalsContact O-CB 3.3Å; I943-T947 WeakPolarHBondContact O-CB 3.36Å; I943-T947 PolarHBondContact O-N 2.86Å; I943-T947 PolarHBondContact O-OG1 3.38Å
944	S	76.5	Confident	81	Confident	80 Å²	80	78.6 Å²	78.6	56%	0.559	41%	0.408	S	S	*	.	H	α-helix	trans	-68	-47.2	-174.2	58.5	0	0	0	0	112.7	N942 W946 T948	N942-S944 PolarHBondContact O-N 2.94Å; N942-S944 PolarHBondContact OD1-N 3.42Å; N942-S944 PolarHBondContact OD1-OG 3.21Å; N942-S944 VanDerWaalsContact OD1-OG 3.06Å; S944-W946 VanDerWaalsContact C-N 3.34Å; S944-W946 PolarHBondContact O-N 3.24Å; S944-T948 WeakPolarHBondContact O-CB 3.13Å; S944-T948 PolarHBondContact O-N 3.37Å; S944-T948 PolarHBondContact O-OG1 2.84Å
945	S	77.2	Confident	80.8	Confident	78 Å²	78	83.8 Å²	83.8	55%	0.545	43%	0.434	S	S	.	.	H	α-helix	trans	-58.1	-46.3	174.7	159.4	0	0	0	0	111.4	T948 F949	S945-T948 PolarHBondContact O-N 3.45Å; S945-F949 PolarHBondContact O-N 3.1Å
946	W	77.6	Confident	80.8	Confident	31 Å²	31	86.8 Å²	86.8	12%	0.117	45%	0.447	C	S	.	.	H	α-helix	trans	-70.7	-40.8	-176.9	179	85.4	0	0	0	112.9	I941 N942 I943 S944 T948 F949 L950 F1090 M1093 K1094	I941-W946 HydrophobicContact CG2-CB 3.75Å; I941-W946 HydrophobicContact CG2-CG 4.04Å; N942-W946 WeakPolarHBondContact O-CB 3.42Å; N942-W946 PolarHBondContact O-N 2.72Å; N942-W946 VanDerWaalsContact O-N 3.15Å; I943-W946 PolarHBondContact O-N 2.81Å; S944-W946 VanDerWaalsContact C-N 3.34Å; S944-W946 PolarHBondContact O-N 3.24Å; W946-T948 VanDerWaalsContact C-N 3.32Å; W946-T948 PolarHBondContact O-N 2.98Å; W946-F949 PolarHBondContact O-N 3.34Å; W946-L950 HydrophobicContact CD2-CD1 4.22Å; W946-L950 HydrophobicContact CD2-CG 4.39Å; W946-L950 HydrophobicContact CE3-CD1 4.13Å; W946-L950 HydrophobicContact CH2-CD1 3.08Å; W946-L950 HydrophobicContact CH2-CG 4.16Å; W946-L950 HydrophobicContact CZ2-CD1 3.16Å; W946-L950 HydrophobicContact CZ2-CD2 4.43Å; W946-L950 HydrophobicContact CZ2-CG 3.85Å; W946-L950 HydrophobicContact CZ3-CD1 3.59Å; W946-L950 PolarHBondContact O-N 3.47Å; W946-F1090 HydrophobicContact CH2-CB 3.91Å; W946-F1090 WeakPolarHBondContact CH2-O 3.36Å; W946-F1090 HydrophobicContact CZ2-CB 4.28Å; W946-M1093 HydrophobicContact CH2-CB 4.01Å; W946-M1093 HydrophobicContact CZ2-CB 3.35Å; W946-M1093 HydrophobicContact CZ2-CG 4.1Å; W946-M1093 HydrophobicContact CZ2-SD 3.81Å; W946-K1094 HydrophobicContact CE3-CG 4.2Å; W946-K1094 HydrophobicContact CH2-CG 4.24Å; W946-K1094 HydrophobicContact CZ3-CD 4.42Å; W946-K1094 HydrophobicContact CZ3-CG 3.79Å
947	T	78.1	Confident	80.9	Confident	48 Å²	48	79.9 Å²	79.9	29%	0.294	42%	0.417	S	S	.	.	H	α-helix	trans	-61.9	-41.5	174.4	-64.3	0	0	0	0	111.2	I943 L950 I951	I943-T947 VanDerWaalsContact O-CB 3.3Å; I943-T947 WeakPolarHBondContact O-CB 3.36Å; I943-T947 PolarHBondContact O-N 2.86Å; I943-T947 PolarHBondContact O-OG1 3.38Å; T947-L950 PolarHBondContact O-N 3.2Å; T947-I951 HydrophobicContact CG2-CD1 3.85Å; T947-I951 WeakPolarHBondContact O-CD1 3.5Å; T947-I951 VanDerWaalsContact O-CG1 3.28Å; T947-I951 WeakPolarHBondContact O-CG1 3.32Å; T947-I951 PolarHBondContact O-N 3.41Å
948	T	81.2	Confident	81.1	Confident	73 Å²	73	89.1 Å²	89.1	45%	0.448	45%	0.45	S	S	.	.	H	α-helix	trans	-61.2	-48.6	175.3	-53.3	0	0	0	0	111.3	S944 S945 W946 L950 I951 E952	S944-T948 WeakPolarHBondContact O-CB 3.13Å; S944-T948 PolarHBondContact O-N 3.37Å; S944-T948 PolarHBondContact O-OG1 2.84Å; S945-T948 PolarHBondContact O-N 3.45Å; W946-T948 VanDerWaalsContact C-N 3.32Å; W946-T948 PolarHBondContact O-N 2.98Å; T948-L950 VanDerWaalsContact C-N 3.33Å; T948-L950 PolarHBondContact O-N 2.84Å; T948-I951 PolarHBondContact O-N 3.28Å; T948-E952 WeakPolarHBondContact O-CG 3.33Å; T948-E952 PolarHBondContact O-N 2.96Å
949	F	84.8	Confident	81.8	Confident	96 Å²	96	84.3 Å²	84.3	42%	0.421	42%	0.423	S	S	.	.	H	α-helix	trans	-57.2	-42.7	176.5	165.7	-100.1	0	0	0	113	S945 W946 T953 N1040	S945-F949 PolarHBondContact O-N 3.1Å; W946-F949 PolarHBondContact O-N 3.34Å; F949-T953 VanDerWaalsContact O-CB 3.29Å; F949-T953 WeakPolarHBondContact O-CB 2.95Å; F949-T953 PolarHBondContact O-N 2.77Å; F949-T953 PolarHBondContact O-OG1 3.03Å; F949-N1040 WeakPolarHBondContact CE1-ND2 2.95Å
950	L	83.8	Confident	82.6	Confident	9 Å²	9	77 Å²	77	5%	0.047	39%	0.392	C	S	.	.	H	α-helix	trans	-67.2	-42.8	177.2	-82.6	-169.3	0	0	0	112.9	W946 T947 T948 T953 A954 L1087 F1090	W946-L950 HydrophobicContact CD2-CD1 4.22Å; W946-L950 HydrophobicContact CD2-CG 4.39Å; W946-L950 HydrophobicContact CE3-CD1 4.13Å; W946-L950 HydrophobicContact CH2-CD1 3.08Å; W946-L950 HydrophobicContact CH2-CG 4.16Å; W946-L950 HydrophobicContact CZ2-CD1 3.16Å; W946-L950 HydrophobicContact CZ2-CD2 4.43Å; W946-L950 HydrophobicContact CZ2-CG 3.85Å; W946-L950 HydrophobicContact CZ3-CD1 3.59Å; W946-L950 PolarHBondContact O-N 3.47Å; T947-L950 PolarHBondContact O-N 3.2Å; T948-L950 VanDerWaalsContact C-N 3.33Å; T948-L950 PolarHBondContact O-N 2.84Å; L950-T953 PolarHBondContact O-N 2.92Å; L950-A954 WeakPolarHBondContact O-CB 3.46Å; L950-A954 PolarHBondContact O-N 3.41Å; L950-L1087 HydrophobicContact CB-CD2 4.03Å; L950-F1090 HydrophobicContact CD1-CB 3.47Å; L950-F1090 VanDerWaalsContact CD1-CB 3.47Å; L950-F1090 HydrophobicContact CD1-CD2 4.46Å; L950-F1090 HydrophobicContact CD1-CG 3.94Å
951	I	84	Confident	84	Confident	65 Å²	65	72 Å²	72	33%	0.333	36%	0.357	S	S	.	.	H	α-helix	trans	-58	-51.5	176.1	-70.6	162.3	0	0	0	109.2	T947 T948 T953 A954 L955 L1087	T947-I951 HydrophobicContact CG2-CD1 3.85Å; T947-I951 WeakPolarHBondContact O-CD1 3.5Å; T947-I951 VanDerWaalsContact O-CG1 3.28Å; T947-I951 WeakPolarHBondContact O-CG1 3.32Å; T947-I951 PolarHBondContact O-N 3.41Å; T948-I951 PolarHBondContact O-N 3.28Å; I951-T953 VanDerWaalsContact C-N 3.32Å; I951-T953 PolarHBondContact O-N 3.2Å; I951-A954 PolarHBondContact O-N 3.05Å; I951-L955 HydrophobicContact CG2-CD1 3.7Å; I951-L955 HydrophobicContact CG2-CG 4.26Å; I951-L955 WeakPolarHBondContact O-CB 3.48Å; I951-L955 VanDerWaalsContact O-CG 3.26Å; I951-L955 WeakPolarHBondContact O-CG 3.47Å; I951-L955 PolarHBondContact O-N 3.44Å; I951-L1087 HydrophobicContact CD1-CD1 4.4Å; I951-L1087 HydrophobicContact CG1-CD1 3.5Å
952	E	85.6	Confident	85.1	Confident	99 Å²	99	69.1 Å²	69.1	46%	0.463	34%	0.342	S	S	.	.	H	α-helix	trans	-60.1	-40.6	178.5	-72.7	-178.5	-163	0	0	112.8	T948 K956	T948-E952 WeakPolarHBondContact O-CG 3.33Å; T948-E952 PolarHBondContact O-N 2.96Å; E952-K956 WeakPolarHBondContact O-CD 3.46Å; E952-K956 VanDerWaalsContact O-CG 3.24Å; E952-K956 WeakPolarHBondContact O-CG 3.37Å; E952-K956 PolarHBondContact O-N 3.4Å
953	T	85.3	Confident	86.1	Confident	21 Å²	21	64 Å²	64	13%	0.129	32%	0.315	C	S	.	.	H	α-helix	trans	-67.2	-42.5	177.8	-59	0	0	0	0	110.9	F949 L950 I951 K956 K957	F949-T953 VanDerWaalsContact O-CB 3.29Å; F949-T953 WeakPolarHBondContact O-CB 2.95Å; F949-T953 PolarHBondContact O-N 2.77Å; F949-T953 PolarHBondContact O-OG1 3.03Å; L950-T953 PolarHBondContact O-N 2.92Å; I951-T953 VanDerWaalsContact C-N 3.32Å; I951-T953 PolarHBondContact O-N 3.2Å; T953-K956 PolarHBondContact O-N 3.02Å; T953-K957 WeakPolarHBondContact O-CG 3.38Å; T953-K957 PolarHBondContact O-N 3.22Å
954	A	86.2	Confident	87	Confident	3 Å²	3	61.1 Å²	61.1	3%	0.025	30%	0.299	C	S	.	.	H	α-helix	trans	-68.3	-39.4	-179.3	0	0	0	0	0	112.7	L950 I951 K956 K957 M1083 Y1086 L1087	L950-A954 WeakPolarHBondContact O-CB 3.46Å; L950-A954 PolarHBondContact O-N 3.41Å; I951-A954 PolarHBondContact O-N 3.05Å; A954-K956 PolarHBondContact O-N 3.3Å; A954-K957 PolarHBondContact O-N 3.09Å; A954-M1083 HydrophobicContact CB-CE 3.46Å; A954-M1083 VanDerWaalsContact CB-CE 3.46Å; A954-M1083 HydrophobicContact CB-SD 3.97Å; A954-Y1086 HydrophobicContact CB-CD1 4.23Å; A954-Y1086 HydrophobicContact CB-CE1 3.76Å; A954-L1087 HydrophobicContact CB-CD2 4.32Å
955	L	85.4	Confident	87.6	Confident	121 Å²	121	57.8 Å²	57.8	63%	0.634	28%	0.275	S	S	*	.	H	α-helix	trans	-66.2	-25.6	175.8	-71.2	173	0	0	0	112.9	I951 M1083	I951-L955 HydrophobicContact CG2-CD1 3.7Å; I951-L955 HydrophobicContact CG2-CG 4.26Å; I951-L955 WeakPolarHBondContact O-CB 3.48Å; I951-L955 VanDerWaalsContact O-CG 3.26Å; I951-L955 WeakPolarHBondContact O-CG 3.47Å; I951-L955 PolarHBondContact O-N 3.44Å; L955-M1083 HydrophobicContact CD2-CG 4.46Å
956	K	87.5	Confident	88	Confident	142 Å²	142	57.8 Å²	57.8	62%	0.617	28%	0.275	S	S	*	.	H	α-helix	trans	-82	-17.5	177.6	-71.8	168.6	-172.2	167.9	0	113.5	E952 T953 A954 R958	E952-K956 WeakPolarHBondContact O-CD 3.46Å; E952-K956 VanDerWaalsContact O-CG 3.24Å; E952-K956 WeakPolarHBondContact O-CG 3.37Å; E952-K956 PolarHBondContact O-N 3.4Å; T953-K956 PolarHBondContact O-N 3.02Å; A954-K956 PolarHBondContact O-N 3.3Å; K956-R958 PolarHBondContact O-N 2.84Å
957	K	92.2	Very high	88.4	Confident	12 Å²	12	59.6 Å²	59.6	5%	0.052	29%	0.287	C	S	.	.			trans	-74.8	113.6	179.9	-70.5	166.2	-175.5	-81.5	0	110.3	T953 A954 L1010 R1011 R1012 E1013 Y1014 K1015 N1040	T953-K957 WeakPolarHBondContact O-CG 3.38Å; T953-K957 PolarHBondContact O-N 3.22Å; A954-K957 PolarHBondContact O-N 3.09Å; K957-L1010 PolarHBondContact NZ-O 2.77Å; K957-R1011 WeakPolarHBondContact CE-O 3.19Å; K957-R1011 PolarHBondContact NZ-O 2.89Å; K957-R1012 WeakPolarHBondContact CA-O 2.96Å; K957-R1012 WeakPolarHBondContact CG-O 3.36Å; K957-E1013 CarbonylContact C-O 3.58Å; K957-E1013 WeakPolarHBondContact CA-O 2.99Å; K957-E1013 WeakPolarHBondContact CB-O 3.48Å; K957-Y1014 VanDerWaalsContact CD-O 3.29Å; K957-Y1014 WeakPolarHBondContact CD-O 3.34Å; K957-Y1014 PolarHBondContact NZ-O 3.33Å; K957-K1015 HydrophobicContact CB-CG 3.95Å; K957-K1015 HydrophobicContact CD-CG 3.98Å; K957-N1040 WeakPolarHBondContact CE-O 3.12Å; K957-N1040 PolarHBondContact NZ-O 2.76Å
958	R	88.4	Confident	88.7	Confident	240 Å²	240	59.6 Å²	59.6	91%	0.906	29%	0.288	S	S	*	.			trans	-98.3	-11.3	-177.1	-63.4	-175.1	179.6	-174.9	-1.1	114.4	K956 E1013	K956-R958 PolarHBondContact O-N 2.84Å; R958-E1013 PolarHBondContact N-O 3.25Å
959	R	94.1	Very high	88.8	Confident	103 Å²	103	58 Å²	58	39%	0.389	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	150.3	-178.5	-64.2	-174.9	177.2	151.7	5	110.8	D988 Y990 E1013 Y1014 K1015	R959-D988 WeakPolarHBondContact CD-OD2 3.29Å; R959-D988 IonicContact NE-OD2 3.25Å; R959-Y990 PolarHBondContact NH1-OH 3.1Å; R959-E1013 WeakPolarHBondContact CA-O 3.47Å; R959-E1013 WeakPolarHBondContact CB-O 3.48Å; R959-E1013 IonicContact CZ-OE2 2.66Å; R959-E1013 VanDerWaalsContact CZ-OE2 3.27Å; R959-E1013 PolarHBondContact N-O 3.05Å; R959-E1013 IonicContact NE-OE2 3.99Å; R959-E1013 IonicContact NH1-OE2 2.69Å; R959-E1013 PolarHBondContact NH1-OE2 3.13Å; R959-E1013 IonicContact NH2-OE2 2.59Å; R959-E1013 VanDerWaalsContact O-O 3.09Å; R959-Y1014 HydrophobicContact CB-CD1 3.5Å; R959-Y1014 VanDerWaalsContact CB-CD1 3.5Å; R959-Y1014 HydrophobicContact CB-CE1 3.39Å; R959-Y1014 HydrophobicContact CB-CG 4.18Å; R959-Y1014 VanDerWaalsContact CD-OH 3.25Å; R959-Y1014 WeakPolarHBondContact CD-OH 3.38Å; R959-Y1014 HydrophobicContact CG-CE1 4.16Å; R959-Y1014 PolarHBondContact NH1-OH 3.5Å; R959-Y1014 VanDerWaalsContact NH1-OH 3.11Å; R959-Y1014 VanDerWaalsContact O-CA 3.32Å; R959-Y1014 WeakPolarHBondContact O-CA 3.49Å; R959-K1015 PolarHBondContact O-N 3.17Å; R959-K1015 VanDerWaalsContact O-N 3.14Å
960	L	94.8	Very high	88.9	Confident	23 Å²	23	53.6 Å²	53.6	12%	0.12	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-61.7	-167.7	-165	56.3	0	0	0	112.5	V985 K1015 F1016 R1077 D1080	L960-V985 HydrophobicContact CD2-CG2 3.34Å; L960-V985 HydrophobicContact CG-CG2 4.21Å; L960-K1015 HydrophobicContact CD1-CB 4.44Å; L960-K1015 PolarHBondContact O-N 3.43Å; L960-F1016 HydrophobicContact CD1-CD2 3.69Å; L960-F1016 HydrophobicContact CD1-CE2 3.61Å; L960-F1016 HydrophobicContact CG-CD2 4.18Å; L960-F1016 HydrophobicContact CG-CE2 4.48Å; L960-F1016 PolarHBondContact O-N 3.05Å; L960-R1077 HydrophobicContact CD2-CG 4.29Å; L960-D1080 HydrophobicContact CD1-CB 3.74Å
961	V	98.1	Very high	88.9	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	128.5	-171.5	-167.6	0	0	0	0	111.7	V985 V987 D988 F1016 L1018 L1076	V961-V985 HydrophobicContact CG2-CG1 4.4Å; V961-V985 HydrophobicContact CG2-CG2 4.21Å; V961-V987 HydrophobicContact CB-CB 4.42Å; V961-V987 HydrophobicContact CB-CG1 4.3Å; V961-V987 HydrophobicContact CB-CG2 4.09Å; V961-V987 HydrophobicContact CG1-CB 4.49Å; V961-V987 HydrophobicContact CG1-CG1 3.95Å; V961-V987 HydrophobicContact CG1-CG2 4.13Å; V961-V987 WeakPolarHBondContact O-CA 3.45Å; V961-D988 PolarHBondContact O-N 3.46Å; V961-F1016 WeakPolarHBondContact CA-O 3.43Å; V961-F1016 HydrophobicContact CG2-CB 4.32Å; V961-L1018 HydrophobicContact CG1-CD1 4.03Å; V961-L1018 HydrophobicContact CG1-CD2 3.53Å; V961-L1018 HydrophobicContact CG1-CG 3.56Å; V961-L1076 HydrophobicContact CG2-CD1 3.81Å
962	A	96.8	Very high	89.1	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	150.3	170.8	0	0	0	0	0	112.5	F964 D988 L1010 Y1014 F1016 F1017 L1018	A962-F964 HydrophobicContact CB-CE2 4.44Å; A962-D988 CarbonylContact C-O 3.45Å; A962-D988 WeakPolarHBondContact CA-O 3.47Å; A962-L1010 HydrophobicContact CB-CD2 3.52Å; A962-Y1014 HydrophobicContact CB-CD1 3.56Å; A962-Y1014 HydrophobicContact CB-CD2 4Å; A962-Y1014 HydrophobicContact CB-CE1 3.73Å; A962-Y1014 HydrophobicContact CB-CE2 4.16Å; A962-Y1014 HydrophobicContact CB-CG 3.68Å; A962-F1016 PolarHBondContact N-O 3.37Å; A962-F1017 HydrophobicContact CB-CD2 4.27Å; A962-F1017 CarbonylContact O-C 3.44Å; A962-F1017 WeakPolarHBondContact O-CA 3.43Å; A962-F1017 WeakPolarHBondContact O-CD2 3.16Å; A962-L1018 PolarHBondContact O-N 2.81Å
963	A	95.4	Very high	89.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	126.2	172.6	0	0	0	0	0	111.3	I965 I978 V987 D988 V989 Y990 L1018	A963-I965 HydrophobicContact CB-CD1 4.09Å; A963-I965 HydrophobicContact CB-CG1 4.23Å; A963-I978 HydrophobicContact CB-CD1 4.26Å; A963-V987 HydrophobicContact CB-CG1 4.33Å; A963-D988 PolarHBondContact N-O 3.39Å; A963-V989 HydrophobicContact CB-CG2 4.4Å; A963-V989 CarbonylContact O-C 3.54Å; A963-V989 WeakPolarHBondContact O-CA 3Å; A963-Y990 PolarHBondContact O-N 2.8Å; A963-L1018 HydrophobicContact CB-CB 3.89Å; A963-L1018 HydrophobicContact CB-CD1 4.07Å; A963-L1018 HydrophobicContact CB-CG 4.19Å
964	F	93.2	Very high	89.4	Confident	38 Å²	38	45.8 Å²	45.8	17%	0.167	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	107.8	-179.5	-74.2	-159.4	0	0	0	110	A962 Y990 C1006 L1007 M1009 L1010 F1017	A962-F964 HydrophobicContact CB-CE2 4.44Å; F964-Y990 CarbonylContact C-O 3.44Å; F964-Y990 WeakPolarHBondContact CA-O 3.35Å; F964-Y990 AromaticContact CD2-CD2 3.87Å; F964-Y990 HydrophobicContact CD2-CD2 3.87Å; F964-Y990 HydrophobicContact CD2-CG 4.04Å; F964-Y990 AromaticContact CE2-CD2 3.44Å; F964-Y990 HydrophobicContact CE2-CD2 3.44Å; F964-Y990 VanDerWaalsContact CE2-CD2 3.44Å; F964-Y990 HydrophobicContact CE2-CE2 4.14Å; F964-Y990 AromaticContact CE2-CG 3.71Å; F964-Y990 HydrophobicContact CE2-CG 3.71Å; F964-Y990 HydrophobicContact CZ-CD2 4.39Å; F964-Y990 HydrophobicContact CZ-CG 4.39Å; F964-C1006 HydrophobicContact CE1-CB 3.71Å; F964-C1006 HydrophobicContact CZ-CB 3.9Å; F964-C1006 WeakPolarHBondContact CZ-O 3.48Å; F964-L1007 HydrophobicContact CD1-CD2 4.43Å; F964-L1007 HydrophobicContact CE1-CD2 4.12Å; F964-M1009 HydrophobicContact CE2-CE 4Å; F964-M1009 HydrophobicContact CZ-CE 3.77Å; F964-L1010 HydrophobicContact CE1-CD1 4.22Å; F964-L1010 HydrophobicContact CE1-CG 4.46Å; F964-L1010 HydrophobicContact CE2-CD1 4.49Å; F964-L1010 HydrophobicContact CE2-CD2 3.82Å; F964-L1010 HydrophobicContact CE2-CG 4.27Å; F964-L1010 HydrophobicContact CZ-CD1 4.09Å; F964-L1010 HydrophobicContact CZ-CD2 3.96Å; F964-L1010 HydrophobicContact CZ-CG 3.89Å; F964-F1017 HydrophobicContact CB-CE2 4.06Å; F964-F1017 HydrophobicContact CB-CZ 4.15Å; F964-F1017 AromaticContact CD2-CE2 3.86Å; F964-F1017 HydrophobicContact CD2-CE2 3.86Å; F964-F1017 HydrophobicContact CE2-CE2 4.47Å; F964-F1017 AromaticContact CG-CE2 3.92Å; F964-F1017 HydrophobicContact CG-CE2 3.92Å; F964-F1017 HydrophobicContact CG-CZ 4.41Å
965	I	90.1	Very high	89.5	Confident	10 Å²	10	46.9 Å²	46.9	5%	0.051	22%	0.223	C	C	.	.			trans	-134.1	109.6	-167	-48.6	-176.9	0	0	0	111.1	A963 I978 V989 Y990 G991 R992 C993	A963-I965 HydrophobicContact CB-CD1 4.09Å; A963-I965 HydrophobicContact CB-CG1 4.23Å; I965-I978 HydrophobicContact CD1-CD1 3.25Å; I965-V989 HydrophobicContact CB-CG1 4.4Å; I965-V989 HydrophobicContact CD1-CG1 4.06Å; I965-V989 HydrophobicContact CG1-CG1 4.27Å; I965-Y990 PolarHBondContact N-O 3.34Å; I965-G991 CarbonylContact O-C 3.49Å; I965-R992 PolarHBondContact O-N 3.44Å; I965-R992 VanDerWaalsContact O-N 3.08Å; I965-C993 HydrophobicContact CB-CB 4.14Å; I965-C993 HydrophobicContact CG2-CB 3.79Å; I965-C993 VanDerWaalsContact CG2-SG 3.59Å; I965-C993 PolarHBondContact O-N 2.85Å; I965-C993 PolarHBondContact O-SG 3.04Å
966	S	86	Confident	89.6	Confident	79 Å²	79	43.5 Å²	43.5	55%	0.552	21%	0.205	S	C	*	.			trans	-102	-29.9	174.1	57.1	0	0	0	0	113.5
967	N	85.7	Confident	89.6	Confident	68 Å²	68	36.8 Å²	36.8	36%	0.364	18%	0.176	S	C	.	.	S	Bend	trans	-97.5	109.5	177.9	-166.6	2.5	0	0	0	110.3	R974 C993	N967-R974 PolarHBondContact O-NH2 3.38Å; N967-C993 VanDerWaalsContact C-SG 3.51Å
968	C	84.9	Confident	89.7	Confident	48 Å²	48	36.4 Å²	36.4	32%	0.324	17%	0.174	S	C	.	.			trans	-92.3	149.4	-173.3	-43.8	0	0	0	0	110.6	C993	C968-C993 WeakPolarHBondContact CA-SG 3.49Å; C968-C993 HydrophobicContact CB-CB 3.95Å; C968-C993 WeakPolarHBondContact CB-SG 3.46Å; C968-C993 PolarHBondContact N-SG 3.12Å; C968-C993 WeakPolarHBondContact SG-CA 3.11Å; C968-C993 WeakPolarHBondContact SG-CB 3.25Å; C968-C993 CovalentContact SG-SG 2.03Å; C968-C993 PolarHBondContact SG-SG 3.24Å
969	R	83.2	Confident	89.8	Confident	41 Å²	41	29.9 Å²	29.9	16%	0.155	15%	0.152	C	C	.	.	S	Bend	trans	47.6	53.9	-174.7	-52.8	-170.9	-159.7	115.8	28.6	113.5	D1175	R969-D1175 IonicContact CZ-OD1 2.78Å; R969-D1175 IonicContact CZ-OD2 3.76Å; R969-D1175 IonicContact NE-OD1 3.23Å; R969-D1175 PolarHBondContact NE-OD1 3.24Å; R969-D1175 IonicContact NE-OD2 3.42Å; R969-D1175 PolarHBondContact NE-OD2 2.99Å; R969-D1175 PolarHBondContact NH1-O 2.88Å; R969-D1175 PolarHBondContact NH2-O 3.29Å; R969-D1175 IonicContact NH2-OD1 2.89Å; R969-D1175 PolarHBondContact NH2-OD1 3.5Å; R969-D1175 IonicContact NH2-OD2 2.69Å
970	P	87	Confident	89.5	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.013	14%	0.139	C	C	.	.			trans	-73.5	160.9	179.7	37.6	-38.9	0	0	0	110.3	S972 A973 R974 N1022 X1203	P970-S972 PolarHBondContact O-N 3.12Å; P970-A973 PolarHBondContact O-N 2.86Å; P970-R974 HydrophobicContact CG-CG 3.68Å; P970-N1022 HydrophobicContact CB-CB 4.12Å; P970-N1022 WeakPolarHBondContact CB-O 3.05Å; P970-A1203 WeakPolarHBondContact O-CB 3.4Å
971	P	83.5	Confident	89.5	Confident	27 Å²	27	24.5 Å²	24.5	18%	0.175	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-27	179.4	-31.2	36.6	0	0	0	115.7	P903 A973 N1022 D1146 X1203	P903-P971 HydrophobicContact CB-CB 4.16Å; P903-P971 HydrophobicContact CB-CG 3.79Å; P903-P971 HydrophobicContact CG-CB 4.4Å; P971-A973 VanDerWaalsContact C-N 3.26Å; P971-A973 PolarHBondContact O-N 3.44Å; P971-N1022 WeakPolarHBondContact CD-O 3.41Å; P971-D1146 PolarHBondContact O-N 3.26Å; P971-A1203 WeakPolarHBondContact O-CB 3.43Å
972	S	87.2	Confident	89.3	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-14.2	175.1	62	0	0	0	0	114.8	P970 R974 E1021 N1022 Y1147 G1148	P970-S972 PolarHBondContact O-N 3.12Å; S972-R974 PolarHBondContact O-N 2.97Å; S972-R974 PolarHBondContact OG-N 3.44Å; S972-E1021 WeakPolarHBondContact CB-O 3.24Å; S972-E1021 PolarHBondContact OG-O 3Å; S972-N1022 WeakPolarHBondContact CB-O 3.47Å; S972-N1022 PolarHBondContact N-O 3.02Å; S972-N1022 PolarHBondContact OG-O 2.01Å; S972-Y1147 PolarHBondContact O-N 2.95Å; S972-G1148 PolarHBondContact O-N 2.99Å
973	A	86.8	Confident	89	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.008	18%	0.183	C	C	.	.			trans	53	31.8	-168.1	0	0	0	0	0	113.8	P970 P971 D975 I976 Y977 D1146 K1149 X1203	P970-A973 PolarHBondContact O-N 2.86Å; P971-A973 VanDerWaalsContact C-N 3.26Å; P971-A973 PolarHBondContact O-N 3.44Å; A973-D975 VanDerWaalsContact C-OD1 3.31Å; A973-D975 PolarHBondContact O-N 3Å; A973-I976 HydrophobicContact CB-CD1 4.34Å; A973-I976 PolarHBondContact O-N 3.16Å; A973-I976 VanDerWaalsContact O-N 3.07Å; A973-Y977 PolarHBondContact O-N 3.47Å; A973-D1146 HydrophobicContact CB-CB 4.48Å; A973-K1149 HydrophobicContact CB-CD 4.38Å; A973-K1149 HydrophobicContact CB-CG 3.94Å; A973-A1203 HydrophobicContact CB-CB 4.21Å
974	R	91.1	Very high	88.9	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.008	20%	0.195	C	C	.	.	H	α-helix	trans	-56.9	-32.9	-179	76.9	-176.4	173.3	-156	-17.8	113.2	N967 P970 S972 I976 Y977 I978 F1020 N1022 L1046	N967-R974 PolarHBondContact O-NH2 3.38Å; P970-R974 HydrophobicContact CG-CG 3.68Å; S972-R974 PolarHBondContact O-N 2.97Å; S972-R974 PolarHBondContact OG-N 3.44Å; R974-I976 PolarHBondContact O-N 3.33Å; R974-Y977 PolarHBondContact O-N 3.12Å; R974-I978 VanDerWaalsContact O-CG1 3.23Å; R974-I978 WeakPolarHBondContact O-CG1 3.47Å; R974-I978 PolarHBondContact O-N 3.13Å; R974-F1020 HydrophobicContact CB-CB 3.88Å; R974-F1020 HydrophobicContact CB-CD2 4.05Å; R974-F1020 HydrophobicContact CB-CG 4.43Å; R974-F1020 WeakPolarHBondContact CD-O 3.39Å; R974-F1020 HydrophobicContact CG-CB 4.33Å; R974-F1020 PolarHBondContact NH1-O 2.92Å; R974-N1022 PolarHBondContact NH1-OD1 3.05Å; R974-N1022 PolarHBondContact NH2-OD1 2.72Å; R974-L1046 HydrophobicContact CB-CD1 3.88Å
975	D	88.6	Confident	88.9	Confident	27 Å²	27	36.3 Å²	36.3	14%	0.144	19%	0.189	C	C	.	.	H	α-helix	trans	-63.2	-32.4	179.5	56.8	-39.5	0	0	0	112.2	A973 K979	A973-D975 VanDerWaalsContact C-OD1 3.31Å; A973-D975 PolarHBondContact O-N 3Å; D975-K979 VanDerWaalsContact O-CG 3.32Å; D975-K979 WeakPolarHBondContact O-CG 3.4Å; D975-K979 PolarHBondContact O-N 3.04Å
976	I	86.5	Confident	89	Confident	50 Å²	50	42.6 Å²	42.6	26%	0.256	22%	0.218	S	C	.	.	H	α-helix	trans	-74.5	-41.8	177.2	-73	168.4	0	0	0	111	A973 R974 I978 K979 A980 K1149 I1152	A973-I976 HydrophobicContact CB-CD1 4.34Å; A973-I976 PolarHBondContact O-N 3.16Å; A973-I976 VanDerWaalsContact O-N 3.07Å; R974-I976 PolarHBondContact O-N 3.33Å; I976-I978 VanDerWaalsContact C-N 3.34Å; I976-I978 PolarHBondContact O-N 3.19Å; I976-K979 PolarHBondContact O-N 2.94Å; I976-A980 PolarHBondContact O-N 2.86Å; I976-A980 VanDerWaalsContact O-N 3.08Å; I976-K1149 HydrophobicContact CD1-CD 4.3Å; I976-K1149 HydrophobicContact CD1-CG 4.24Å; I976-K1149 HydrophobicContact CG2-CG 4Å; I976-I1152 HydrophobicContact CG2-CD1 3.24Å
977	Y	88.8	Confident	89.6	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62	-42.6	172.4	-168.4	-81.2	0	0	0	111.7	A973 R974 K979 A980 L981 F1020 L1046 A1063 A1069 L1072 F1151	A973-Y977 PolarHBondContact O-N 3.47Å; R974-Y977 PolarHBondContact O-N 3.12Å; Y977-K979 VanDerWaalsContact C-N 3.33Å; Y977-K979 PolarHBondContact O-N 3.26Å; Y977-A980 WeakPolarHBondContact O-CB 3.15Å; Y977-A980 PolarHBondContact O-N 3.25Å; Y977-A980 VanDerWaalsContact O-N 3.17Å; Y977-L981 WeakPolarHBondContact O-CB 3.35Å; Y977-L981 PolarHBondContact O-N 3.02Å; Y977-F1020 AromaticContact CD1-CE2 3.65Å; Y977-F1020 HydrophobicContact CD1-CE2 3.65Å; Y977-F1020 AromaticContact CD1-CZ 3.91Å; Y977-F1020 HydrophobicContact CD1-CZ 3.91Å; Y977-F1020 HydrophobicContact CE1-CE2 4.27Å; Y977-F1020 HydrophobicContact CE1-CZ 4.07Å; Y977-F1020 HydrophobicContact CG-CE2 4.43Å; Y977-L1046 HydrophobicContact CG-CD2 4.29Å; Y977-A1063 HydrophobicContact CE1-CB 3.93Å; Y977-A1063 HydrophobicContact CE2-CB 4.26Å; Y977-A1069 HydrophobicContact CE1-CB 4.28Å; Y977-A1069 HydrophobicContact CE2-CB 4.38Å; Y977-L1072 HydrophobicContact CE1-CD2 3.8Å; Y977-L1072 WeakPolarHBondContact OH-CD2 3.5Å; Y977-F1151 HydrophobicContact CD2-CB 3.69Å; Y977-F1151 AromaticContact CD2-CD2 3.58Å; Y977-F1151 HydrophobicContact CD2-CD2 3.58Å; Y977-F1151 AromaticContact CD2-CG 3.86Å; Y977-F1151 HydrophobicContact CD2-CG 3.86Å; Y977-F1151 HydrophobicContact CE2-CB 3.37Å; Y977-F1151 HydrophobicContact CE2-CD1 4.22Å; Y977-F1151 AromaticContact CE2-CD2 3.54Å; Y977-F1151 HydrophobicContact CE2-CD2 3.54Å; Y977-F1151 HydrophobicContact CE2-CE2 4.43Å; Y977-F1151 AromaticContact CE2-CG 3.43Å; Y977-F1151 HydrophobicContact CE2-CG 3.43Å; Y977-F1151 VanDerWaalsContact CE2-CG 3.43Å
978	I	94.1	Very high	90.1	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	18%	0.184	C	C	.	.	H	α-helix	trans	-62	-41.5	177.9	-69.6	173.2	0	0	0	111.3	A963 I965 R974 I976 A980 L981 Q982 V987 V989 L1018 F1020	A963-I978 HydrophobicContact CB-CD1 4.26Å; I965-I978 HydrophobicContact CD1-CD1 3.25Å; R974-I978 VanDerWaalsContact O-CG1 3.23Å; R974-I978 WeakPolarHBondContact O-CG1 3.47Å; R974-I978 PolarHBondContact O-N 3.13Å; I976-I978 VanDerWaalsContact C-N 3.34Å; I976-I978 PolarHBondContact O-N 3.19Å; I978-A980 VanDerWaalsContact C-N 3.33Å; I978-A980 PolarHBondContact O-N 2.99Å; I978-L981 WeakPolarHBondContact O-CB 3.05Å; I978-L981 PolarHBondContact O-N 2.84Å; I978-Q982 HydrophobicContact CG2-CG 4.39Å; I978-Q982 WeakPolarHBondContact O-CB 3.26Å; I978-Q982 WeakPolarHBondContact O-CG 3.5Å; I978-Q982 PolarHBondContact O-N 2.8Å; I978-V987 HydrophobicContact CG2-CG1 4.3Å; I978-V989 HydrophobicContact CG2-CG2 3.98Å; I978-L1018 HydrophobicContact CD1-CD1 4.08Å; I978-L1018 HydrophobicContact CG1-CD1 3.74Å; I978-F1020 HydrophobicContact CD1-CD2 3.8Å; I978-F1020 HydrophobicContact CD1-CE2 4.29Å; I978-F1020 HydrophobicContact CG1-CD2 3.7Å; I978-F1020 HydrophobicContact CG1-CE2 3.7Å
979	K	90.3	Very high	90.6	Very high	102 Å²	102	35.3 Å²	35.3	44%	0.443	17%	0.171	S	C	.	.	H	α-helix	trans	-62	-39.5	174.5	-76.6	173.2	-178.9	175.6	0	112.4	D975 I976 Y977 L981 Q982	D975-K979 VanDerWaalsContact O-CG 3.32Å; D975-K979 WeakPolarHBondContact O-CG 3.4Å; D975-K979 PolarHBondContact O-N 3.04Å; I976-K979 PolarHBondContact O-N 2.94Å; Y977-K979 VanDerWaalsContact C-N 3.33Å; Y977-K979 PolarHBondContact O-N 3.26Å; K979-L981 VanDerWaalsContact C-N 3.35Å; K979-Q982 PolarHBondContact O-N 3.05Å
980	A	87.6	Confident	91.1	Very high	13 Å²	13	34.3 Å²	34.3	11%	0.107	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-39.1	174.1	0	0	0	0	0	111.6	I976 Y977 I978 Q983 H984 A1069 I1152	I976-A980 PolarHBondContact O-N 2.86Å; I976-A980 VanDerWaalsContact O-N 3.08Å; Y977-A980 WeakPolarHBondContact O-CB 3.15Å; Y977-A980 PolarHBondContact O-N 3.25Å; Y977-A980 VanDerWaalsContact O-N 3.17Å; I978-A980 VanDerWaalsContact C-N 3.33Å; I978-A980 PolarHBondContact O-N 2.99Å; A980-Q983 WeakPolarHBondContact O-CB 3.43Å; A980-Q983 PolarHBondContact O-N 3.42Å; A980-H984 PolarHBondContact O-CD2 2.75Å; A980-A1069 HydrophobicContact CB-CB 3.87Å; A980-I1152 HydrophobicContact CB-CD1 3.76Å; A980-I1152 HydrophobicContact CB-CG1 4.07Å
981	L	94.1	Very high	91.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.9	-40.7	176.1	-172.5	63.1	0	0	0	112.1	Y977 I978 K979 Q983 H984 V985 V987 L1018 A1069 L1072 A1073	Y977-L981 WeakPolarHBondContact O-CB 3.35Å; Y977-L981 PolarHBondContact O-N 3.02Å; I978-L981 WeakPolarHBondContact O-CB 3.05Å; I978-L981 PolarHBondContact O-N 2.84Å; K979-L981 VanDerWaalsContact C-N 3.35Å; L981-Q983 PolarHBondContact O-N 3.43Å; L981-Q983 VanDerWaalsContact O-N 3.12Å; L981-H984 PolarHBondContact O-N 3.1Å; L981-V985 HydrophobicContact CD1-CG1 3.7Å; L981-V985 HydrophobicContact CD2-CG1 4.43Å; L981-V985 HydrophobicContact CG-CG1 3.67Å; L981-V985 PolarHBondContact O-N 2.96Å; L981-V987 HydrophobicContact CD2-CG2 4.11Å; L981-V987 HydrophobicContact CG-CG2 4.06Å; L981-L1018 HydrophobicContact CD2-CD1 3.93Å; L981-L1018 HydrophobicContact CD2-CD2 4.11Å; L981-A1069 HydrophobicContact CB-CB 4.32Å; L981-A1069 HydrophobicContact CD1-CB 4.46Å; L981-A1069 VanDerWaalsContact CD1-O 3.28Å; L981-A1069 WeakPolarHBondContact CD1-O 3.27Å; L981-L1072 HydrophobicContact CD1-CB 4.42Å; L981-L1072 HydrophobicContact CD1-CD2 4.08Å; L981-L1072 HydrophobicContact CD1-CG 4.19Å; L981-L1072 HydrophobicContact CD2-CD2 4.25Å; L981-A1073 HydrophobicContact CD1-CB 3.88Å
982	Q	94.5	Very high	91.4	Very high	81 Å²	81	43.6 Å²	43.6	38%	0.379	21%	0.205	S	C	.	.	H	α-helix	trans	-58.6	-21.2	175.8	-81.5	179.4	-39.2	0	0	113.9	I978 K979 H984 V985 V987	I978-Q982 HydrophobicContact CG2-CG 4.39Å; I978-Q982 WeakPolarHBondContact O-CB 3.26Å; I978-Q982 WeakPolarHBondContact O-CG 3.5Å; I978-Q982 PolarHBondContact O-N 2.8Å; K979-Q982 PolarHBondContact O-N 3.05Å; Q982-H984 PolarHBondContact O-N 3.05Å; Q982-V985 WeakPolarHBondContact CA-O 3.45Å; Q982-V987 HydrophobicContact CG-CB 3.65Å; Q982-V987 HydrophobicContact CG-CG2 3.95Å; Q982-V987 PolarHBondContact NE2-O 3.01Å
983	Q	89.8	Confident	91.5	Very high	143 Å²	143	45.7 Å²	45.7	67%	0.668	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-16	173.9	-65.6	-178.6	-17.4	0	0	113.1	A980 L981	A980-Q983 WeakPolarHBondContact O-CB 3.43Å; A980-Q983 PolarHBondContact O-N 3.42Å; L981-Q983 PolarHBondContact O-N 3.43Å; L981-Q983 VanDerWaalsContact O-N 3.12Å
984	H	94.2	Very high	91.5	Very high	57 Å²	57	46.7 Å²	46.7	26%	0.264	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-17.5	-171.5	-57.6	-51.3	0	0	0	113.4	A980 L981 Q982 K1070 A1073 R1077	A980-H984 PolarHBondContact O-CD2 2.75Å; L981-H984 PolarHBondContact O-N 3.1Å; Q982-H984 PolarHBondContact O-N 3.05Å; H984-K1070 VanDerWaalsContact CD2-CA 3.41Å; H984-K1070 WeakPolarHBondContact CD2-CA 3.49Å; H984-K1070 VanDerWaalsContact CD2-CB 3.5Å; H984-K1070 WeakPolarHBondContact CD2-CB 3.45Å; H984-A1073 HydrophobicContact CB-CB 3.41Å; H984-A1073 VanDerWaalsContact CB-CB 3.41Å; H984-R1077 PolarHBondContact O-NH1 3.06Å; H984-R1077 PolarHBondContact O-NH2 3.33Å
985	V	93.7	Very high	91.4	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.036	27%	0.265	C	S	.	.	S	Bend	trans	-151.1	148.9	175.3	65.5	0	0	0	0	110.1	L960 V961 L981 Q982 V987 A1073	L960-V985 HydrophobicContact CD2-CG2 3.34Å; L960-V985 HydrophobicContact CG-CG2 4.21Å; V961-V985 HydrophobicContact CG2-CG1 4.4Å; V961-V985 HydrophobicContact CG2-CG2 4.21Å; L981-V985 HydrophobicContact CD1-CG1 3.7Å; L981-V985 HydrophobicContact CD2-CG1 4.43Å; L981-V985 HydrophobicContact CG-CG1 3.67Å; L981-V985 PolarHBondContact O-N 2.96Å; Q982-V985 WeakPolarHBondContact CA-O 3.45Å; V985-V987 HydrophobicContact CG1-CG2 4Å; V985-V987 PolarHBondContact O-N 2.9Å; V985-A1073 HydrophobicContact CB-CB 3.87Å; V985-A1073 HydrophobicContact CG1-CB 3.83Å
986	E	92.4	Very high	91.7	Very high	142 Å²	142	53.6 Å²	53.6	66%	0.664	27%	0.273	S	S	*	.			trans	-66.1	123.2	174.7	-171.2	174.4	-175	0	0	110.1
987	V	97.3	Very high	91.7	Very high	8 Å²	8	60 Å²	60	5%	0.048	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	113.4	176.8	-174.5	0	0	0	0	109.2	V961 A963 I978 L981 Q982 V985 V989 L1018	V961-V987 HydrophobicContact CB-CB 4.42Å; V961-V987 HydrophobicContact CB-CG1 4.3Å; V961-V987 HydrophobicContact CB-CG2 4.09Å; V961-V987 HydrophobicContact CG1-CB 4.49Å; V961-V987 HydrophobicContact CG1-CG1 3.95Å; V961-V987 HydrophobicContact CG1-CG2 4.13Å; V961-V987 WeakPolarHBondContact O-CA 3.45Å; A963-V987 HydrophobicContact CB-CG1 4.33Å; I978-V987 HydrophobicContact CG2-CG1 4.3Å; L981-V987 HydrophobicContact CD2-CG2 4.11Å; L981-V987 HydrophobicContact CG-CG2 4.06Å; Q982-V987 HydrophobicContact CG-CB 3.65Å; Q982-V987 HydrophobicContact CG-CG2 3.95Å; Q982-V987 PolarHBondContact NE2-O 3.01Å; V985-V987 HydrophobicContact CG1-CG2 4Å; V985-V987 PolarHBondContact O-N 2.9Å; V987-V989 HydrophobicContact CG1-CG2 4.18Å; V987-V989 PolarHBondContact O-N 3.2Å; V987-L1018 HydrophobicContact CG1-CD1 3.77Å
988	D	97.2	Very high	91.7	Very high	26 Å²	26	61.4 Å²	61.4	14%	0.139	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111.3	176.5	-76.2	-38.5	0	0	0	110.7	R959 V961 A962 A963 Y990 L996 Y1014	R959-D988 WeakPolarHBondContact CD-OD2 3.29Å; R959-D988 IonicContact NE-OD2 3.25Å; V961-D988 PolarHBondContact O-N 3.46Å; A962-D988 CarbonylContact C-O 3.45Å; A962-D988 WeakPolarHBondContact CA-O 3.47Å; A963-D988 PolarHBondContact N-O 3.39Å; D988-Y990 HydrophobicContact CB-CD2 4.41Å; D988-Y990 HydrophobicContact CB-CE2 3.76Å; D988-L996 HydrophobicContact CB-CD1 3.69Å; D988-Y1014 HydrophobicContact CB-CE1 3.85Å; D988-Y1014 WeakPolarHBondContact CB-OH 3.39Å; D988-Y1014 VanDerWaalsContact OD2-CE1 3.31Å; D988-Y1014 WeakPolarHBondContact OD2-CE1 3.36Å; D988-Y1014 PolarHBondContact OD2-OH 2.9Å
989	V	95.4	Very high	91.2	Very high	9 Å²	9	63.9 Å²	63.9	6%	0.055	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	108.2	-177.2	-172.7	0	0	0	0	109.9	A963 I965 I978 V987 G994 L996	A963-V989 HydrophobicContact CB-CG2 4.4Å; A963-V989 CarbonylContact O-C 3.54Å; A963-V989 WeakPolarHBondContact O-CA 3Å; I965-V989 HydrophobicContact CB-CG1 4.4Å; I965-V989 HydrophobicContact CD1-CG1 4.06Å; I965-V989 HydrophobicContact CG1-CG1 4.27Å; I978-V989 HydrophobicContact CG2-CG2 3.98Å; V987-V989 HydrophobicContact CG1-CG2 4.18Å; V987-V989 PolarHBondContact O-N 3.2Å; V989-G994 CarbonylContact O-C 3.53Å; V989-G994 WeakPolarHBondContact O-CA 3.35Å; V989-L996 PolarHBondContact O-N 2.95Å
990	Y	93.5	Very high	90.8	Very high	19 Å²	19	68.1 Å²	68.1	8%	0.075	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141.8	176.9	-66.5	-99.7	0	0	0	111.5	R959 A963 F964 I965 D988 L996 C998 M1009 Y1014	R959-Y990 PolarHBondContact NH1-OH 3.1Å; A963-Y990 PolarHBondContact O-N 2.8Å; F964-Y990 CarbonylContact C-O 3.44Å; F964-Y990 WeakPolarHBondContact CA-O 3.35Å; F964-Y990 AromaticContact CD2-CD2 3.87Å; F964-Y990 HydrophobicContact CD2-CD2 3.87Å; F964-Y990 HydrophobicContact CD2-CG 4.04Å; F964-Y990 AromaticContact CE2-CD2 3.44Å; F964-Y990 HydrophobicContact CE2-CD2 3.44Å; F964-Y990 VanDerWaalsContact CE2-CD2 3.44Å; F964-Y990 HydrophobicContact CE2-CE2 4.14Å; F964-Y990 AromaticContact CE2-CG 3.71Å; F964-Y990 HydrophobicContact CE2-CG 3.71Å; F964-Y990 HydrophobicContact CZ-CD2 4.39Å; F964-Y990 HydrophobicContact CZ-CG 4.39Å; I965-Y990 PolarHBondContact N-O 3.34Å; D988-Y990 HydrophobicContact CB-CD2 4.41Å; D988-Y990 HydrophobicContact CB-CE2 3.76Å; Y990-L996 CarbonylContact C-O 3.54Å; Y990-L996 VanDerWaalsContact CA-O 3.27Å; Y990-L996 WeakPolarHBondContact CA-O 3.26Å; Y990-L996 HydrophobicContact CD1-CB 3.54Å; Y990-L996 HydrophobicContact CD1-CD1 4.4Å; Y990-L996 HydrophobicContact CD2-CB 4.35Å; Y990-L996 HydrophobicContact CD2-CD1 4.17Å; Y990-L996 HydrophobicContact CE1-CB 3.69Å; Y990-L996 HydrophobicContact CE1-CD1 3.92Å; Y990-L996 HydrophobicContact CE1-CG 4.38Å; Y990-L996 HydrophobicContact CE2-CB 4.48Å; Y990-L996 HydrophobicContact CE2-CD1 3.67Å; Y990-L996 HydrophobicContact CG-CB 3.89Å; Y990-C998 HydrophobicContact CD1-CB 4.37Å; Y990-M1009 HydrophobicContact CD1-CE 4.23Å; Y990-M1009 HydrophobicContact CD2-CE 4.13Å; Y990-M1009 HydrophobicContact CE1-CE 3.63Å; Y990-M1009 HydrophobicContact CE1-SD 4.01Å; Y990-M1009 HydrophobicContact CE2-CE 3.5Å; Y990-M1009 HydrophobicContact CE2-SD 4.43Å; Y990-M1009 HydrophobicContact CG-CE 4.46Å; Y990-M1009 WeakPolarHBondContact OH-CE 3.36Å; Y990-M1009 PolarHBondContact OH-SD 2.9Å; Y990-Y1014 HydrophobicContact CE2-CE2 4.38Å; Y990-Y1014 WeakPolarHBondContact CE2-OH 3.37Å; Y990-Y1014 PolarHBondContact OH-OH 3.33Å
991	G	88.6	Confident	90.6	Very high	20 Å²	20	72.8 Å²	72.8	21%	0.206	38%	0.375	C	S	.	.	S	Bend	trans	112.9	-163.4	175.1	0	0	0	0	0	112.7	I965 C993 G994 L996	I965-G991 CarbonylContact O-C 3.49Å; G991-C993 PolarHBondContact O-N 3.19Å; G991-G994 PolarHBondContact O-N 2.78Å; G991-L996 PolarHBondContact N-O 2.74Å
992	R	88.3	Confident	90.3	Very high	204 Å²	204	77 Å²	77	77%	0.77	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-24.3	-172.4	-167.6	-176.1	-67	171.8	-1.8	113.3	I965	I965-R992 PolarHBondContact O-N 3.44Å; I965-R992 VanDerWaalsContact O-N 3.08Å
993	C	89	Confident	89.8	Confident	45 Å²	45	76.8 Å²	76.8	30%	0.304	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	4.2	-172.8	-43.5	0	0	0	0	113.7	I965 N967 C968 G991	I965-C993 HydrophobicContact CB-CB 4.14Å; I965-C993 HydrophobicContact CG2-CB 3.79Å; I965-C993 VanDerWaalsContact CG2-SG 3.59Å; I965-C993 PolarHBondContact O-N 2.85Å; I965-C993 PolarHBondContact O-SG 3.04Å; N967-C993 VanDerWaalsContact C-SG 3.51Å; C968-C993 WeakPolarHBondContact CA-SG 3.49Å; C968-C993 HydrophobicContact CB-CB 3.95Å; C968-C993 WeakPolarHBondContact CB-SG 3.46Å; C968-C993 PolarHBondContact N-SG 3.12Å; C968-C993 WeakPolarHBondContact SG-CA 3.11Å; C968-C993 WeakPolarHBondContact SG-CB 3.25Å; C968-C993 CovalentContact SG-SG 2.03Å; C968-C993 PolarHBondContact SG-SG 3.24Å; G991-C993 PolarHBondContact O-N 3.19Å
994	G	86.7	Confident	89.6	Confident	22 Å²	22	77.6 Å²	77.6	23%	0.227	40%	0.397	C	S	.	.	S	Bend	trans	-134	172.1	179.2	0	0	0	0	0	112	V989 G991 L996	V989-G994 CarbonylContact O-C 3.53Å; V989-G994 WeakPolarHBondContact O-CA 3.35Å; G991-G994 PolarHBondContact O-N 2.78Å; G994-L996 VanDerWaalsContact C-N 3.35Å
995	P	89.7	Confident	89.4	Confident	115 Å²	115	82.1 Å²	82.1	75%	0.747	42%	0.416	S	S	*	.	S	Bend	trans	-73.7	-27.1	-178.1	29	-33.2	0	0	0	112.7
996	L	93.5	Very high	89.2	Confident	59 Å²	59	82.3 Å²	82.3	31%	0.309	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-87.1	141.4	-177.8	-56.1	175.2	0	0	0	110.3	D988 V989 Y990 G991 G994	D988-L996 HydrophobicContact CB-CD1 3.69Å; V989-L996 PolarHBondContact O-N 2.95Å; Y990-L996 CarbonylContact C-O 3.54Å; Y990-L996 VanDerWaalsContact CA-O 3.27Å; Y990-L996 WeakPolarHBondContact CA-O 3.26Å; Y990-L996 HydrophobicContact CD1-CB 3.54Å; Y990-L996 HydrophobicContact CD1-CD1 4.4Å; Y990-L996 HydrophobicContact CD2-CB 4.35Å; Y990-L996 HydrophobicContact CD2-CD1 4.17Å; Y990-L996 HydrophobicContact CE1-CB 3.69Å; Y990-L996 HydrophobicContact CE1-CD1 3.92Å; Y990-L996 HydrophobicContact CE1-CG 4.38Å; Y990-L996 HydrophobicContact CE2-CB 4.48Å; Y990-L996 HydrophobicContact CE2-CD1 3.67Å; Y990-L996 HydrophobicContact CG-CB 3.89Å; G991-L996 PolarHBondContact N-O 2.74Å; G994-L996 VanDerWaalsContact C-N 3.35Å
997	K	88.2	Confident	88.9	Confident	184 Å²	184	76.2 Å²	76.2	80%	0.8	39%	0.39	S	S	*	.			trans	-101.3	141.6	-178.2	-64.8	-179.8	-176.4	173.9	0	110.1
998	C	87.7	Confident	88.5	Confident	30 Å²	30	77.7 Å²	77.7	20%	0.203	40%	0.397	C	S	.	.			trans	-135.7	87.6	164.2	178.8	0	0	0	0	108	Y990 C1006	Y990-C998 HydrophobicContact CD1-CB 4.37Å; C998-C1006 VanDerWaalsContact CA-SG 3.53Å; C998-C1006 HydrophobicContact CB-CB 3.98Å; C998-C1006 WeakPolarHBondContact CB-SG 3.44Å; C998-C1006 WeakPolarHBondContact SG-CB 3.22Å; C998-C1006 CovalentContact SG-SG 2.03Å; C998-C1006 PolarHBondContact SG-SG 3.1Å
999	P	84.7	Confident	88.2	Confident	56 Å²	56	77.7 Å²	77.7	36%	0.364	40%	0.396	S	S	.	.			trans	-66.3	152	179.6	27.7	-31.8	0	0	0	110.4	S1001 E1002 Q1003	P999-S1001 PolarHBondContact O-N 3.43Å; P999-S1001 VanDerWaalsContact O-N 3.15Å; P999-E1002 HydrophobicContact CG-CB 4.04Å; P999-E1002 HydrophobicContact CG-CG 3.97Å; P999-E1002 CarbonylContact O-C 3.36Å; P999-E1002 PolarHBondContact O-N 2.96Å; P999-Q1003 PolarHBondContact O-N 3.1Å
1000	K	80.4	Confident	87.9	Confident	191 Å²	191	77.3 Å²	77.3	83%	0.83	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-56.9	-32.3	-178.7	-73.8	-173.5	176.4	-177.3	0	113.1	E1002 Q1003	K1000-E1002 PolarHBondContact O-N 3.13Å; K1000-Q1003 WeakPolarHBondContact O-CB 3.38Å; K1000-Q1003 PolarHBondContact O-N 3.4Å
1001	S	84.6	Confident	87.7	Confident	112 Å²	112	80.7 Å²	80.7	78%	0.783	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-64.7	-22.1	176.4	50.7	0	0	0	0	113.7	P999	P999-S1001 PolarHBondContact O-N 3.43Å; P999-S1001 VanDerWaalsContact O-N 3.15Å
1002	E	87.8	Confident	87.7	Confident	89 Å²	89	87 Å²	87	42%	0.416	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-114	12.8	-179.3	-61.6	-173.9	163	0	0	112.3	P999 K1000 E1004 K1005 C1006	P999-E1002 HydrophobicContact CG-CB 4.04Å; P999-E1002 HydrophobicContact CG-CG 3.97Å; P999-E1002 CarbonylContact O-C 3.36Å; P999-E1002 PolarHBondContact O-N 2.96Å; K1000-E1002 PolarHBondContact O-N 3.13Å; E1002-E1004 PolarHBondContact O-N 3.25Å; E1002-E1004 VanDerWaalsContact O-N 3.15Å; E1002-K1005 WeakPolarHBondContact O-CB 3.22Å; E1002-K1005 PolarHBondContact O-N 2.88Å; E1002-C1006 PolarHBondContact O-N 3.15Å; E1002-C1006 PolarHBondContact O-SG 3.4Å
1003	Q	84.2	Confident	87.9	Confident	75 Å²	75	80.4 Å²	80.4	35%	0.35	40%	0.402	S	S	.	.	H	α-helix	trans	-54.8	-40.4	-173.5	-175.9	-179.4	-35.1	0	0	112.2	P999 K1000 C1006 L1007	P999-Q1003 PolarHBondContact O-N 3.1Å; K1000-Q1003 WeakPolarHBondContact O-CB 3.38Å; K1000-Q1003 PolarHBondContact O-N 3.4Å; Q1003-C1006 PolarHBondContact O-N 2.94Å; Q1003-L1007 HydrophobicContact CG-CD1 4.08Å; Q1003-L1007 HydrophobicContact CG-CG 4.47Å; Q1003-L1007 WeakPolarHBondContact O-CB 3.34Å; Q1003-L1007 VanDerWaalsContact O-CG 3.22Å; Q1003-L1007 WeakPolarHBondContact O-CG 3.46Å; Q1003-L1007 PolarHBondContact O-N 2.88Å
1004	E	85.2	Confident	88.3	Confident	160 Å²	160	78.3 Å²	78.3	75%	0.748	39%	0.388	S	S	*	.	H	α-helix	trans	-64.7	-43.1	177.2	-172.8	171.2	-165.7	0	0	112.3	E1002 C1006 L1007 D1008	E1002-E1004 PolarHBondContact O-N 3.25Å; E1002-E1004 VanDerWaalsContact O-N 3.15Å; E1004-C1006 PolarHBondContact O-N 3.31Å; E1004-L1007 PolarHBondContact O-N 2.64Å; E1004-D1008 PolarHBondContact O-N 2.81Å
1005	K	88.5	Confident	88.6	Confident	152 Å²	152	78 Å²	78	66%	0.661	38%	0.38	S	S	*	.	H	α-helix	trans	-61.3	-44.5	174.6	-65.7	-178.2	179.4	178.3	0	111.4	E1002 L1007 D1008 M1009	E1002-K1005 WeakPolarHBondContact O-CB 3.22Å; E1002-K1005 PolarHBondContact O-N 2.88Å; K1005-L1007 VanDerWaalsContact C-N 3.3Å; K1005-L1007 PolarHBondContact O-N 2.73Å; K1005-D1008 PolarHBondContact O-N 2.88Å; K1005-M1009 PolarHBondContact O-N 3.11Å
1006	C	89.4	Confident	89	Confident	10 Å²	10	72.5 Å²	72.5	7%	0.068	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-36.7	176.6	-52.7	0	0	0	0	112.4	F964 C998 E1002 Q1003 E1004 M1009 L1010	F964-C1006 HydrophobicContact CE1-CB 3.71Å; F964-C1006 HydrophobicContact CZ-CB 3.9Å; F964-C1006 WeakPolarHBondContact CZ-O 3.48Å; C998-C1006 VanDerWaalsContact CA-SG 3.53Å; C998-C1006 HydrophobicContact CB-CB 3.98Å; C998-C1006 WeakPolarHBondContact CB-SG 3.44Å; C998-C1006 WeakPolarHBondContact SG-CB 3.22Å; C998-C1006 CovalentContact SG-SG 2.03Å; C998-C1006 PolarHBondContact SG-SG 3.1Å; E1002-C1006 PolarHBondContact O-N 3.15Å; E1002-C1006 PolarHBondContact O-SG 3.4Å; Q1003-C1006 PolarHBondContact O-N 2.94Å; E1004-C1006 PolarHBondContact O-N 3.31Å; C1006-M1009 WeakPolarHBondContact O-CB 3.43Å; C1006-M1009 PolarHBondContact O-N 3.35Å; C1006-L1010 PolarHBondContact O-N 3.37Å
1007	L	88.1	Confident	89.2	Confident	15 Å²	15	70.1 Å²	70.1	8%	0.079	33%	0.332	C	S	.	.	H	α-helix	trans	-72	-38.6	177.7	-71	173.3	0	0	0	111.2	F964 Q1003 E1004 K1005 M1009 L1010 Y1039	F964-L1007 HydrophobicContact CD1-CD2 4.43Å; F964-L1007 HydrophobicContact CE1-CD2 4.12Å; Q1003-L1007 HydrophobicContact CG-CD1 4.08Å; Q1003-L1007 HydrophobicContact CG-CG 4.47Å; Q1003-L1007 WeakPolarHBondContact O-CB 3.34Å; Q1003-L1007 VanDerWaalsContact O-CG 3.22Å; Q1003-L1007 WeakPolarHBondContact O-CG 3.46Å; Q1003-L1007 PolarHBondContact O-N 2.88Å; E1004-L1007 PolarHBondContact O-N 2.64Å; K1005-L1007 VanDerWaalsContact C-N 3.3Å; K1005-L1007 PolarHBondContact O-N 2.73Å; L1007-M1009 VanDerWaalsContact C-N 3.27Å; L1007-M1009 PolarHBondContact O-N 3.36Å; L1007-L1010 HydrophobicContact CD2-CD1 4.01Å; L1007-L1010 VanDerWaalsContact O-CB 3.29Å; L1007-L1010 WeakPolarHBondContact O-CB 3.47Å; L1007-L1010 PolarHBondContact O-N 2.93Å; L1007-L1010 VanDerWaalsContact O-N 3.1Å; L1007-Y1039 HydrophobicContact CB-CD2 4.36Å; L1007-Y1039 HydrophobicContact CB-CE1 3.95Å; L1007-Y1039 HydrophobicContact CB-CE2 3.8Å; L1007-Y1039 HydrophobicContact CD1-CE2 4.16Å; L1007-Y1039 HydrophobicContact CD2-CE2 4.24Å; L1007-Y1039 HydrophobicContact CG-CE2 4.28Å; L1007-Y1039 WeakPolarHBondContact O-CD1 3.46Å
1008	D	88.9	Confident	89.7	Confident	39 Å²	39	61.6 Å²	61.6	21%	0.209	30%	0.295	C	S	.	.	H	α-helix	trans	-66.2	-30.5	173.6	-164.7	55.6	0	0	0	112.2	E1004 K1005 L1010 R1011 R1012	E1004-D1008 PolarHBondContact O-N 2.81Å; K1005-D1008 PolarHBondContact O-N 2.88Å; D1008-L1010 VanDerWaalsContact C-N 3.29Å; D1008-L1010 PolarHBondContact O-N 3.05Å; D1008-R1011 WeakPolarHBondContact O-CB 3.08Å; D1008-R1011 PolarHBondContact O-N 3.04Å; D1008-R1011 VanDerWaalsContact O-N 3.08Å; D1008-R1011 IonicContact OD1-CZ 2.78Å; D1008-R1011 IonicContact OD1-NH1 3.82Å; D1008-R1011 PolarHBondContact OD1-NH1 2.57Å; D1008-R1012 PolarHBondContact O-N 3.48Å; D1008-R1012 VanDerWaalsContact O-N 3.11Å; D1008-R1012 IonicContact OD1-NH2 2.76Å; D1008-R1012 IonicContact OD2-CZ 3.87Å; D1008-R1012 IonicContact OD2-NE 3.89Å; D1008-R1012 PolarHBondContact OD2-NE 3.25Å; D1008-R1012 IonicContact OD2-NH2 3.16Å; D1008-R1012 PolarHBondContact OD2-NH2 3.46Å
1009	M	90	Very high	90	Very high	25 Å²	25	60.2 Å²	60.2	12%	0.123	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-36.7	169.9	174.4	-164	72.7	0	0	112.1	F964 Y990 K1005 C1006 L1007 R1011 R1012 E1013 Y1014	F964-M1009 HydrophobicContact CE2-CE 4Å; F964-M1009 HydrophobicContact CZ-CE 3.77Å; Y990-M1009 HydrophobicContact CD1-CE 4.23Å; Y990-M1009 HydrophobicContact CD2-CE 4.13Å; Y990-M1009 HydrophobicContact CE1-CE 3.63Å; Y990-M1009 HydrophobicContact CE1-SD 4.01Å; Y990-M1009 HydrophobicContact CE2-CE 3.5Å; Y990-M1009 HydrophobicContact CE2-SD 4.43Å; Y990-M1009 HydrophobicContact CG-CE 4.46Å; Y990-M1009 WeakPolarHBondContact OH-CE 3.36Å; Y990-M1009 PolarHBondContact OH-SD 2.9Å; K1005-M1009 PolarHBondContact O-N 3.11Å; C1006-M1009 WeakPolarHBondContact O-CB 3.43Å; C1006-M1009 PolarHBondContact O-N 3.35Å; L1007-M1009 VanDerWaalsContact C-N 3.27Å; L1007-M1009 PolarHBondContact O-N 3.36Å; M1009-R1011 VanDerWaalsContact C-N 3.28Å; M1009-R1011 PolarHBondContact O-N 2.96Å; M1009-R1012 PolarHBondContact O-N 3.02Å; M1009-E1013 HydrophobicContact CG-CB 4.32Å; M1009-E1013 HydrophobicContact CG-CG 4.22Å; M1009-E1013 WeakPolarHBondContact O-CB 3.19Å; M1009-E1013 PolarHBondContact O-N 3.48Å; M1009-Y1014 HydrophobicContact CE-CE2 3.73Å; M1009-Y1014 HydrophobicContact CG-CD2 4.4Å; M1009-Y1014 HydrophobicContact CG-CE2 3.91Å; M1009-Y1014 HydrophobicContact SD-CE2 4.01Å
1010	L	90	Very high	90.6	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-42.8	173.1	-65.6	176.4	0	0	0	111.2	K957 A962 F964 C1006 L1007 D1008 R1012 Y1014 F1017 V1041	K957-L1010 PolarHBondContact NZ-O 2.77Å; A962-L1010 HydrophobicContact CB-CD2 3.52Å; F964-L1010 HydrophobicContact CE1-CD1 4.22Å; F964-L1010 HydrophobicContact CE1-CG 4.46Å; F964-L1010 HydrophobicContact CE2-CD1 4.49Å; F964-L1010 HydrophobicContact CE2-CD2 3.82Å; F964-L1010 HydrophobicContact CE2-CG 4.27Å; F964-L1010 HydrophobicContact CZ-CD1 4.09Å; F964-L1010 HydrophobicContact CZ-CD2 3.96Å; F964-L1010 HydrophobicContact CZ-CG 3.89Å; C1006-L1010 PolarHBondContact O-N 3.37Å; L1007-L1010 HydrophobicContact CD2-CD1 4.01Å; L1007-L1010 VanDerWaalsContact O-CB 3.29Å; L1007-L1010 WeakPolarHBondContact O-CB 3.47Å; L1007-L1010 PolarHBondContact O-N 2.93Å; L1007-L1010 VanDerWaalsContact O-N 3.1Å; D1008-L1010 VanDerWaalsContact C-N 3.29Å; D1008-L1010 PolarHBondContact O-N 3.05Å; L1010-R1012 PolarHBondContact O-N 2.82Å; L1010-Y1014 HydrophobicContact CD2-CD2 4.08Å; L1010-Y1014 HydrophobicContact CD2-CG 4.44Å; L1010-Y1014 PolarHBondContact O-N 2.85Å; L1010-F1017 HydrophobicContact CD1-CD2 3.76Å; L1010-F1017 HydrophobicContact CD1-CE2 3.79Å; L1010-F1017 HydrophobicContact CD1-CG 4.45Å; L1010-F1017 HydrophobicContact CD2-CD2 3.67Å; L1010-F1017 HydrophobicContact CD2-CE2 4.17Å; L1010-F1017 HydrophobicContact CG-CD2 4.39Å; L1010-V1041 HydrophobicContact CB-CG2 4.05Å; L1010-V1041 WeakPolarHBondContact O-CG2 3.09Å
1011	R	88.3	Confident	91.2	Very high	89 Å²	89	49.4 Å²	49.4	34%	0.336	23%	0.234	S	C	.	.	H	α-helix	trans	-61.9	-43.9	178.1	179.3	-173.4	-71.5	154.6	-9.6	112.5	K957 D1008 M1009 Y1039	K957-R1011 WeakPolarHBondContact CE-O 3.19Å; K957-R1011 PolarHBondContact NZ-O 2.89Å; D1008-R1011 WeakPolarHBondContact O-CB 3.08Å; D1008-R1011 PolarHBondContact O-N 3.04Å; D1008-R1011 VanDerWaalsContact O-N 3.08Å; D1008-R1011 IonicContact OD1-CZ 2.78Å; D1008-R1011 IonicContact OD1-NH1 3.82Å; D1008-R1011 PolarHBondContact OD1-NH1 2.57Å; M1009-R1011 VanDerWaalsContact C-N 3.28Å; M1009-R1011 PolarHBondContact O-N 2.96Å; R1011-Y1039 WeakPolarHBondContact CA-O 3.32Å; R1011-Y1039 HydrophobicContact CB-CD1 4.12Å; R1011-Y1039 WeakPolarHBondContact CB-O 3.26Å
1012	R	88.6	Confident	91.6	Very high	153 Å²	153	44.9 Å²	44.9	58%	0.577	20%	0.2	S	C	*	.	H	α-helix	trans	-86.1	-35	-172.3	-62.6	-178.8	-169.8	-89.9	-4.8	114.3	K957 D1008 M1009 L1010	K957-R1012 WeakPolarHBondContact CA-O 2.96Å; K957-R1012 WeakPolarHBondContact CG-O 3.36Å; D1008-R1012 PolarHBondContact O-N 3.48Å; D1008-R1012 VanDerWaalsContact O-N 3.11Å; D1008-R1012 IonicContact OD1-NH2 2.76Å; D1008-R1012 IonicContact OD2-CZ 3.87Å; D1008-R1012 IonicContact OD2-NE 3.89Å; D1008-R1012 PolarHBondContact OD2-NE 3.25Å; D1008-R1012 IonicContact OD2-NH2 3.16Å; D1008-R1012 PolarHBondContact OD2-NH2 3.46Å; M1009-R1012 PolarHBondContact O-N 3.02Å; L1010-R1012 PolarHBondContact O-N 2.82Å
1013	E	93.1	Very high	91.8	Very high	66 Å²	66	40.7 Å²	40.7	31%	0.308	18%	0.181	S	C	.	.	H	α-helix	trans	-111.2	-30.9	-164.3	-65	178.5	-148.5	0	0	114.2	K957 R958 R959 M1009	K957-E1013 CarbonylContact C-O 3.58Å; K957-E1013 WeakPolarHBondContact CA-O 2.99Å; K957-E1013 WeakPolarHBondContact CB-O 3.48Å; R958-E1013 PolarHBondContact N-O 3.25Å; R959-E1013 WeakPolarHBondContact CA-O 3.47Å; R959-E1013 WeakPolarHBondContact CB-O 3.48Å; R959-E1013 IonicContact CZ-OE2 2.66Å; R959-E1013 VanDerWaalsContact CZ-OE2 3.27Å; R959-E1013 PolarHBondContact N-O 3.05Å; R959-E1013 IonicContact NE-OE2 3.99Å; R959-E1013 IonicContact NH1-OE2 2.69Å; R959-E1013 PolarHBondContact NH1-OE2 3.13Å; R959-E1013 IonicContact NH2-OE2 2.59Å; R959-E1013 VanDerWaalsContact O-O 3.09Å; M1009-E1013 HydrophobicContact CG-CB 4.32Å; M1009-E1013 HydrophobicContact CG-CG 4.22Å; M1009-E1013 WeakPolarHBondContact O-CB 3.19Å; M1009-E1013 PolarHBondContact O-N 3.48Å
1014	Y	95.9	Very high	92.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	134.4	-167.8	-67.3	-85.9	0	0	0	114.2	K957 R959 A962 D988 Y990 M1009 L1010	K957-Y1014 VanDerWaalsContact CD-O 3.29Å; K957-Y1014 WeakPolarHBondContact CD-O 3.34Å; K957-Y1014 PolarHBondContact NZ-O 3.33Å; R959-Y1014 HydrophobicContact CB-CD1 3.5Å; R959-Y1014 VanDerWaalsContact CB-CD1 3.5Å; R959-Y1014 HydrophobicContact CB-CE1 3.39Å; R959-Y1014 HydrophobicContact CB-CG 4.18Å; R959-Y1014 VanDerWaalsContact CD-OH 3.25Å; R959-Y1014 WeakPolarHBondContact CD-OH 3.38Å; R959-Y1014 HydrophobicContact CG-CE1 4.16Å; R959-Y1014 PolarHBondContact NH1-OH 3.5Å; R959-Y1014 VanDerWaalsContact NH1-OH 3.11Å; R959-Y1014 VanDerWaalsContact O-CA 3.32Å; R959-Y1014 WeakPolarHBondContact O-CA 3.49Å; A962-Y1014 HydrophobicContact CB-CD1 3.56Å; A962-Y1014 HydrophobicContact CB-CD2 4Å; A962-Y1014 HydrophobicContact CB-CE1 3.73Å; A962-Y1014 HydrophobicContact CB-CE2 4.16Å; A962-Y1014 HydrophobicContact CB-CG 3.68Å; D988-Y1014 HydrophobicContact CB-CE1 3.85Å; D988-Y1014 WeakPolarHBondContact CB-OH 3.39Å; D988-Y1014 VanDerWaalsContact OD2-CE1 3.31Å; D988-Y1014 WeakPolarHBondContact OD2-CE1 3.36Å; D988-Y1014 PolarHBondContact OD2-OH 2.9Å; Y990-Y1014 HydrophobicContact CE2-CE2 4.38Å; Y990-Y1014 WeakPolarHBondContact CE2-OH 3.37Å; Y990-Y1014 PolarHBondContact OH-OH 3.33Å; M1009-Y1014 HydrophobicContact CE-CE2 3.73Å; M1009-Y1014 HydrophobicContact CG-CD2 4.4Å; M1009-Y1014 HydrophobicContact CG-CE2 3.91Å; M1009-Y1014 HydrophobicContact SD-CE2 4.01Å; L1010-Y1014 HydrophobicContact CD2-CD2 4.08Å; L1010-Y1014 HydrophobicContact CD2-CG 4.44Å; L1010-Y1014 PolarHBondContact O-N 2.85Å
1015	K	94.9	Very high	92.6	Very high	15 Å²	15	29.9 Å²	29.9	7%	0.065	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-35.5	174.5	-72.1	-171.9	-178.2	176.5	0	113.9	K957 R959 L960 V1041 V1042 D1080 Y1086	K957-K1015 HydrophobicContact CB-CG 3.95Å; K957-K1015 HydrophobicContact CD-CG 3.98Å; R959-K1015 PolarHBondContact O-N 3.17Å; R959-K1015 VanDerWaalsContact O-N 3.14Å; L960-K1015 HydrophobicContact CD1-CB 4.44Å; L960-K1015 PolarHBondContact O-N 3.43Å; K1015-V1041 WeakPolarHBondContact O-CG1 3.35Å; K1015-V1042 PolarHBondContact O-N 2.96Å; K1015-V1042 VanDerWaalsContact O-N 3.11Å; K1015-D1080 VanDerWaalsContact CD-OD1 3.23Å; K1015-D1080 WeakPolarHBondContact CD-OD1 2.72Å; K1015-D1080 VanDerWaalsContact CE-OD1 3.26Å; K1015-D1080 WeakPolarHBondContact CE-OD1 3.35Å; K1015-D1080 PolarHBondContact NZ-O 3.17Å; K1015-D1080 IonicContact NZ-OD1 3.72Å; K1015-D1080 PolarHBondContact NZ-OD1 2.8Å; K1015-Y1086 WeakPolarHBondContact CA-OH 3.36Å; K1015-Y1086 HydrophobicContact CB-CE2 3.81Å; K1015-Y1086 HydrophobicContact CD-CE2 4.35Å; K1015-Y1086 HydrophobicContact CG-CE2 4.22Å; K1015-Y1086 PolarHBondContact O-OH 3.2Å; K1015-Y1086 VanDerWaalsContact O-OH 3.07Å
1016	F	97.5	Very high	92.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	144.7	-176.9	-56	-77.5	0	0	0	112.5	L960 V961 A962 V1042 V1044 I1061 L1076 L1079 Y1086	L960-F1016 HydrophobicContact CD1-CD2 3.69Å; L960-F1016 HydrophobicContact CD1-CE2 3.61Å; L960-F1016 HydrophobicContact CG-CD2 4.18Å; L960-F1016 HydrophobicContact CG-CE2 4.48Å; L960-F1016 PolarHBondContact O-N 3.05Å; V961-F1016 WeakPolarHBondContact CA-O 3.43Å; V961-F1016 HydrophobicContact CG2-CB 4.32Å; A962-F1016 PolarHBondContact N-O 3.37Å; F1016-V1042 WeakPolarHBondContact CA-O 3.19Å; F1016-V1042 HydrophobicContact CD1-CB 3.72Å; F1016-V1042 HydrophobicContact CD1-CG1 4.07Å; F1016-V1042 HydrophobicContact CE1-CB 3.95Å; F1016-V1042 HydrophobicContact CE1-CG1 4.15Å; F1016-V1042 HydrophobicContact CE1-CG2 4.33Å; F1016-V1044 HydrophobicContact CB-CG2 4.15Å; F1016-V1044 HydrophobicContact CD1-CG2 4.37Å; F1016-I1061 HydrophobicContact CD1-CD1 4.04Å; F1016-I1061 HydrophobicContact CE1-CD1 3.73Å; F1016-L1076 HydrophobicContact CD1-CD2 3.66Å; F1016-L1076 HydrophobicContact CD2-CB 4.35Å; F1016-L1076 HydrophobicContact CD2-CD2 4.07Å; F1016-L1076 HydrophobicContact CE1-CD2 3.76Å; F1016-L1076 HydrophobicContact CE2-CB 4.22Å; F1016-L1076 HydrophobicContact CE2-CD2 4.15Å; F1016-L1076 HydrophobicContact CG-CD2 3.85Å; F1016-L1076 HydrophobicContact CZ-CD2 4.01Å; F1016-L1079 HydrophobicContact CE1-CD1 3.86Å; F1016-L1079 HydrophobicContact CZ-CB 3.72Å; F1016-L1079 HydrophobicContact CZ-CD1 3.83Å; F1016-L1079 HydrophobicContact CZ-CG 4.45Å; F1016-Y1086 HydrophobicContact CE1-CD2 4.15Å; F1016-Y1086 HydrophobicContact CE1-CE2 4.02Å; F1016-Y1086 AromaticContact CZ-CD2 3.82Å; F1016-Y1086 HydrophobicContact CZ-CD2 3.82Å; F1016-Y1086 AromaticContact CZ-CE2 3.9Å; F1016-Y1086 HydrophobicContact CZ-CE2 3.9Å
1017	F	97.6	Very high	93	Very high	9 Å²	9	24.8 Å²	24.8	4%	0.039	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	126.8	176.1	178.4	-100.5	0	0	0	111.1	A962 F964 L1010 A1019 K1032 S1036 V1041 V1042 P1043 V1044	A962-F1017 HydrophobicContact CB-CD2 4.27Å; A962-F1017 CarbonylContact O-C 3.44Å; A962-F1017 WeakPolarHBondContact O-CA 3.43Å; A962-F1017 WeakPolarHBondContact O-CD2 3.16Å; F964-F1017 HydrophobicContact CB-CE2 4.06Å; F964-F1017 HydrophobicContact CB-CZ 4.15Å; F964-F1017 AromaticContact CD2-CE2 3.86Å; F964-F1017 HydrophobicContact CD2-CE2 3.86Å; F964-F1017 HydrophobicContact CE2-CE2 4.47Å; F964-F1017 AromaticContact CG-CE2 3.92Å; F964-F1017 HydrophobicContact CG-CE2 3.92Å; F964-F1017 HydrophobicContact CG-CZ 4.41Å; L1010-F1017 HydrophobicContact CD1-CD2 3.76Å; L1010-F1017 HydrophobicContact CD1-CE2 3.79Å; L1010-F1017 HydrophobicContact CD1-CG 4.45Å; L1010-F1017 HydrophobicContact CD2-CD2 3.67Å; L1010-F1017 HydrophobicContact CD2-CE2 4.17Å; L1010-F1017 HydrophobicContact CG-CD2 4.39Å; F1017-A1019 HydrophobicContact CD1-CB 4.07Å; F1017-A1019 HydrophobicContact CE1-CB 4.19Å; F1017-A1019 PolarHBondContact O-N 3.2Å; F1017-K1032 HydrophobicContact CE1-CB 4.35Å; F1017-S1036 VanDerWaalsContact CD1-CB 3.46Å; F1017-V1041 HydrophobicContact CB-CB 4.44Å; F1017-V1041 HydrophobicContact CB-CG1 3.67Å; F1017-V1042 PolarHBondContact N-O 2.58Å; F1017-P1043 WeakPolarHBondContact O-CA 3.34Å; F1017-V1044 PolarHBondContact O-N 2.8Å
1018	L	97.4	Very high	93.4	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.031	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	90.6	177.3	-53.5	-171.2	0	0	0	110.1	V961 A962 A963 I978 L981 V987 F1020 V1044	V961-L1018 HydrophobicContact CG1-CD1 4.03Å; V961-L1018 HydrophobicContact CG1-CD2 3.53Å; V961-L1018 HydrophobicContact CG1-CG 3.56Å; A962-L1018 PolarHBondContact O-N 2.81Å; A963-L1018 HydrophobicContact CB-CB 3.89Å; A963-L1018 HydrophobicContact CB-CD1 4.07Å; A963-L1018 HydrophobicContact CB-CG 4.19Å; I978-L1018 HydrophobicContact CD1-CD1 4.08Å; I978-L1018 HydrophobicContact CG1-CD1 3.74Å; L981-L1018 HydrophobicContact CD2-CD1 3.93Å; L981-L1018 HydrophobicContact CD2-CD2 4.11Å; V987-L1018 HydrophobicContact CG1-CD1 3.77Å; L1018-F1020 HydrophobicContact CB-CD1 4.23Å; L1018-F1020 HydrophobicContact CB-CD2 4.34Å; L1018-F1020 HydrophobicContact CB-CE1 4.33Å; L1018-F1020 HydrophobicContact CB-CE2 4.41Å; L1018-F1020 HydrophobicContact CB-CG 4.26Å; L1018-F1020 HydrophobicContact CB-CZ 4.42Å; L1018-F1020 HydrophobicContact CD1-CE2 4.11Å; L1018-F1020 HydrophobicContact CD1-CZ 4.39Å; L1018-F1020 HydrophobicContact CD2-CE1 4.32Å; L1018-F1020 HydrophobicContact CD2-CZ 4.11Å; L1018-F1020 PolarHBondContact O-N 3.41Å; L1018-V1044 CarbonylContact C-O 3.58Å; L1018-V1044 HydrophobicContact CD2-CB 3.65Å; L1018-V1044 HydrophobicContact CD2-CG1 4.03Å; L1018-V1044 HydrophobicContact CD2-CG2 4.04Å
1019	A	96	Very high	93.6	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.008	10%	0.098	C	C	.	.			trans	-78.4	50.1	174.2	0	0	0	0	0	111.6	F1017 K1032 L1033 P1043 V1044 V1045	F1017-A1019 HydrophobicContact CD1-CB 4.07Å; F1017-A1019 HydrophobicContact CE1-CB 4.19Å; F1017-A1019 PolarHBondContact O-N 3.2Å; A1019-K1032 HydrophobicContact CB-CB 4.49Å; A1019-L1033 HydrophobicContact CB-CB 4.31Å; A1019-L1033 HydrophobicContact CB-CD1 3.83Å; A1019-P1043 HydrophobicContact CB-CB 4.28Å; A1019-V1044 PolarHBondContact N-O 2.82Å; A1019-V1045 HydrophobicContact CB-CG1 4.39Å
1020	F	95.8	Very high	93.7	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.013	9%	0.092	C	C	.	.			trans	-81.2	123.1	-175.6	-69.8	-2.1	0	0	0	111.7	R974 Y977 I978 L1018 V1044 L1046 A1063	R974-F1020 HydrophobicContact CB-CB 3.88Å; R974-F1020 HydrophobicContact CB-CD2 4.05Å; R974-F1020 HydrophobicContact CB-CG 4.43Å; R974-F1020 WeakPolarHBondContact CD-O 3.39Å; R974-F1020 HydrophobicContact CG-CB 4.33Å; R974-F1020 PolarHBondContact NH1-O 2.92Å; Y977-F1020 AromaticContact CD1-CE2 3.65Å; Y977-F1020 HydrophobicContact CD1-CE2 3.65Å; Y977-F1020 AromaticContact CD1-CZ 3.91Å; Y977-F1020 HydrophobicContact CD1-CZ 3.91Å; Y977-F1020 HydrophobicContact CE1-CE2 4.27Å; Y977-F1020 HydrophobicContact CE1-CZ 4.07Å; Y977-F1020 HydrophobicContact CG-CE2 4.43Å; I978-F1020 HydrophobicContact CD1-CD2 3.8Å; I978-F1020 HydrophobicContact CD1-CE2 4.29Å; I978-F1020 HydrophobicContact CG1-CD2 3.7Å; I978-F1020 HydrophobicContact CG1-CE2 3.7Å; L1018-F1020 HydrophobicContact CB-CD1 4.23Å; L1018-F1020 HydrophobicContact CB-CD2 4.34Å; L1018-F1020 HydrophobicContact CB-CE1 4.33Å; L1018-F1020 HydrophobicContact CB-CE2 4.41Å; L1018-F1020 HydrophobicContact CB-CG 4.26Å; L1018-F1020 HydrophobicContact CB-CZ 4.42Å; L1018-F1020 HydrophobicContact CD1-CE2 4.11Å; L1018-F1020 HydrophobicContact CD1-CZ 4.39Å; L1018-F1020 HydrophobicContact CD2-CE1 4.32Å; L1018-F1020 HydrophobicContact CD2-CZ 4.11Å; L1018-F1020 PolarHBondContact O-N 3.41Å; F1020-V1044 VanDerWaalsContact CD1-O 3.32Å; F1020-V1044 WeakPolarHBondContact CD1-O 3.49Å; F1020-V1044 HydrophobicContact CE1-CB 4.46Å; F1020-V1044 HydrophobicContact CE1-CG1 4.08Å; F1020-V1044 VanDerWaalsContact CE1-O 3.3Å; F1020-V1044 WeakPolarHBondContact CE1-O 3.38Å; F1020-V1044 HydrophobicContact CZ-CG1 4.43Å; F1020-L1046 HydrophobicContact CB-CD1 4.13Å; F1020-L1046 HydrophobicContact CB-CG 4.01Å; F1020-L1046 HydrophobicContact CD1-CB 4.49Å; F1020-L1046 HydrophobicContact CD1-CD2 4.15Å; F1020-L1046 HydrophobicContact CD1-CG 3.73Å; F1020-L1046 HydrophobicContact CD2-CD2 3.83Å; F1020-L1046 HydrophobicContact CD2-CG 4Å; F1020-L1046 HydrophobicContact CE1-CD2 4.11Å; F1020-L1046 HydrophobicContact CE1-CG 4.13Å; F1020-L1046 HydrophobicContact CE2-CD2 3.82Å; F1020-L1046 HydrophobicContact CE2-CG 4.39Å; F1020-L1046 HydrophobicContact CG-CD1 4.26Å; F1020-L1046 HydrophobicContact CG-CD2 4Å; F1020-L1046 HydrophobicContact CG-CG 3.65Å; F1020-L1046 HydrophobicContact CZ-CD2 3.95Å; F1020-L1046 HydrophobicContact CZ-CG 4.44Å; F1020-A1063 HydrophobicContact CZ-CB 4.35Å
1021	E	94.6	Very high	93.7	Very high	17 Å²	17	23.3 Å²	23.3	8%	0.079	10%	0.1	C	C	.	.			trans	-75.5	156.7	-177	-62.6	-59.3	169.9	0	0	113.9	S972 S1023 Y1028 T1030	S972-E1021 WeakPolarHBondContact CB-O 3.24Å; S972-E1021 PolarHBondContact OG-O 3Å; E1021-S1023 WeakPolarHBondContact CB-O 3.39Å; E1021-S1023 PolarHBondContact O-N 2.69Å; E1021-Y1028 HydrophobicContact CB-CD1 4.31Å; E1021-Y1028 HydrophobicContact CB-CE1 4.27Å; E1021-T1030 VanDerWaalsContact CD-OG1 3.22Å; E1021-T1030 PolarHBondContact OE1-N 3.48Å; E1021-T1030 PolarHBondContact OE1-OG1 3.04Å; E1021-T1030 VanDerWaalsContact OE1-OG1 3.07Å; E1021-T1030 WeakPolarHBondContact OE2-CB 3.45Å; E1021-T1030 WeakPolarHBondContact OE2-CG2 3.34Å; E1021-T1030 PolarHBondContact OE2-OG1 3.2Å
1022	N	91.1	Very high	93.8	Very high	16 Å²	16	20.5 Å²	20.5	9%	0.086	9%	0.09	C	C	.	.	S	Bend	trans	-64.3	-31	175.1	-68.7	-17	0	0	0	111.7	P970 P971 S972 R974	P970-N1022 HydrophobicContact CB-CB 4.12Å; P970-N1022 WeakPolarHBondContact CB-O 3.05Å; P971-N1022 WeakPolarHBondContact CD-O 3.41Å; S972-N1022 WeakPolarHBondContact CB-O 3.47Å; S972-N1022 PolarHBondContact N-O 3.02Å; S972-N1022 PolarHBondContact OG-O 2.01Å; R974-N1022 PolarHBondContact NH1-OD1 3.05Å; R974-N1022 PolarHBondContact NH2-OD1 2.72Å
1023	S	93.3	Very high	94	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.014	6%	0.063	C	C	.	.	S	Bend	trans	-139.5	148.4	179.9	-60	0	0	0	0	108.8	E1021 Y1028	E1021-S1023 WeakPolarHBondContact CB-O 3.39Å; E1021-S1023 PolarHBondContact O-N 2.69Å; S1023-Y1028 WeakPolarHBondContact O-CD1 3.23Å
1024	V	91.4	Very high	94	Very high	7 Å²	7	10.5 Å²	10.5	4%	0.042	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-102.9	93.5	173.4	-177.2	0	0	0	0	107.2	L1046 I1050 C1143 L1144 Y1147	V1024-L1046 HydrophobicContact CG2-CB 4.43Å; V1024-L1046 HydrophobicContact CG2-CD1 4.11Å; V1024-I1050 HydrophobicContact CG1-CG1 3.94Å; V1024-C1143 CarbonylContact O-C 3.58Å; V1024-C1143 VanDerWaalsContact O-CA 3.29Å; V1024-C1143 WeakPolarHBondContact O-CA 3.39Å; V1024-L1144 HydrophobicContact CB-CB 4.37Å; V1024-L1144 HydrophobicContact CG1-CB 4.48Å; V1024-L1144 HydrophobicContact CG1-CD1 4.32Å; V1024-L1144 PolarHBondContact O-N 3.1Å; V1024-Y1147 HydrophobicContact CB-CG 4.21Å; V1024-Y1147 HydrophobicContact CG1-CD1 4.37Å; V1024-Y1147 HydrophobicContact CG1-CD2 4.24Å; V1024-Y1147 HydrophobicContact CG1-CG 4.15Å; V1024-Y1147 HydrophobicContact CG2-CD1 3.96Å; V1024-Y1147 HydrophobicContact CG2-CG 3.87Å
1025	C	94.1	Very high	93.5	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	6%	0.064	C	C	.	.			trans	-129	157.9	-176.1	-56.5	0	0	0	0	110.7	D1027 Y1028 I1050 C1143	C1025-D1027 PolarHBondContact O-N 3.29Å; C1025-Y1028 PolarHBondContact O-N 3.23Å; C1025-Y1028 VanDerWaalsContact O-N 3.13Å; C1025-I1050 WeakPolarHBondContact O-CD1 3.22Å; C1025-C1143 HydrophobicContact CB-CB 4.11Å; C1025-C1143 WeakPolarHBondContact CB-SG 3.19Å; C1025-C1143 WeakPolarHBondContact SG-CB 3.43Å; C1025-C1143 CovalentContact SG-SG 2.04Å; C1025-C1143 PolarHBondContact SG-SG 3.17Å
1026	K	92.4	Very high	93.2	Very high	47 Å²	47	13.7 Å²	13.7	20%	0.204	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	124.9	173.6	-177.3	-170.1	173.7	-168.8	0	109.9	D924 Y1028 G1141	D924-K1026 IonicContact OD2-NZ 3.99Å; D924-K1026 PolarHBondContact OD2-NZ 2.92Å; K1026-Y1028 PolarHBondContact O-N 3.22Å; K1026-Y1028 VanDerWaalsContact O-N 3.09Å; K1026-G1141 WeakPolarHBondContact CB-O 3.37Å; K1026-G1141 PolarHBondContact N-O 3.04Å
1027	D	94.7	Very high	92.9	Very high	9 Å²	9	13.8 Å²	13.8	5%	0.048	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	2.2	178.1	-55.3	-26.6	0	0	0	116.4	Y921 R923 C1025 V1029 F1054	Y921-D1027 HydrophobicContact CD2-CB 4.35Å; Y921-D1027 WeakPolarHBondContact CD2-O 3.24Å; Y921-D1027 HydrophobicContact CE2-CB 4.48Å; R923-D1027 IonicContact CZ-OD1 2.63Å; R923-D1027 VanDerWaalsContact CZ-OD1 3.25Å; R923-D1027 PolarHBondContact N-OD2 3.19Å; R923-D1027 IonicContact NE-OD1 3.69Å; R923-D1027 PolarHBondContact NE-OD1 2.84Å; R923-D1027 IonicContact NE-OD2 2.87Å; R923-D1027 IonicContact NH2-OD1 2.73Å; R923-D1027 PolarHBondContact NH2-OD1 3.5Å; C1025-D1027 PolarHBondContact O-N 3.29Å; D1027-V1029 PolarHBondContact O-N 2.04Å; D1027-F1054 HydrophobicContact CB-CZ 3.87Å
1028	Y	95.6	Very high	92.4	Very high	3 Å²	3	17 Å²	17	1%	0.012	8%	0.077	C	C	.	.			trans	-83.5	100.6	-176.6	-175.1	-111.4	0	0	0	111.8	P901 Y921 Y931 E1021 S1023 C1025 K1026 T1030	P901-Y1028 HydrophobicContact CB-CD1 4.03Å; P901-Y1028 HydrophobicContact CB-CD2 3.9Å; P901-Y1028 HydrophobicContact CB-CE1 4.03Å; P901-Y1028 HydrophobicContact CB-CE2 3.89Å; P901-Y1028 HydrophobicContact CB-CG 3.94Å; P901-Y1028 VanDerWaalsContact CD-CZ 3.47Å; P901-Y1028 WeakPolarHBondContact CD-OH 3.26Å; P901-Y1028 HydrophobicContact CG-CD1 4.27Å; P901-Y1028 HydrophobicContact CG-CD2 4.39Å; P901-Y1028 HydrophobicContact CG-CE1 3.75Å; P901-Y1028 HydrophobicContact CG-CE2 3.89Å; Y921-Y1028 AromaticContact CD1-CD2 3.72Å; Y921-Y1028 HydrophobicContact CD1-CD2 3.72Å; Y921-Y1028 HydrophobicContact CD1-CE2 4.21Å; Y921-Y1028 HydrophobicContact CD2-CD2 4.12Å; Y921-Y1028 AromaticContact CE1-CD2 3.33Å; Y921-Y1028 HydrophobicContact CE1-CD2 3.33Å; Y921-Y1028 AromaticContact CE1-CE2 3.94Å; Y921-Y1028 HydrophobicContact CE1-CE2 3.94Å; Y921-Y1028 HydrophobicContact CE1-CG 4.29Å; Y921-Y1028 AromaticContact CE2-CD2 3.87Å; Y921-Y1028 HydrophobicContact CE2-CD2 3.87Å; Y921-Y1028 HydrophobicContact CE2-CG 4.21Å; Y921-Y1028 HydrophobicContact CG-CD2 4.1Å; Y921-Y1028 AromaticContact CZ-CD2 3.49Å; Y921-Y1028 VanDerWaalsContact CZ-CD2 3.49Å; Y931-Y1028 HydrophobicContact CE2-CE2 4.24Å; E1021-Y1028 HydrophobicContact CB-CD1 4.31Å; E1021-Y1028 HydrophobicContact CB-CE1 4.27Å; S1023-Y1028 WeakPolarHBondContact O-CD1 3.23Å; C1025-Y1028 PolarHBondContact O-N 3.23Å; C1025-Y1028 VanDerWaalsContact O-N 3.13Å; K1026-Y1028 PolarHBondContact O-N 3.22Å; K1026-Y1028 VanDerWaalsContact O-N 3.09Å; Y1028-T1030 HydrophobicContact CD2-CG2 4.46Å; Y1028-T1030 HydrophobicContact CE1-CG2 3.81Å; Y1028-T1030 HydrophobicContact CE2-CG2 3.71Å; Y1028-T1030 WeakPolarHBondContact OH-CG2 3.41Å
1029	V	93	Very high	92	Very high	9 Å²	9	18.5 Å²	18.5	6%	0.055	8%	0.083	C	C	.	.			trans	-135.6	129.2	175.9	179.7	0	0	0	0	108.6	Y931 D1027 L1033 F1034 I1050 F1054	Y931-V1029 WeakPolarHBondContact CD2-O 3.33Å; D1027-V1029 PolarHBondContact O-N 2.04Å; V1029-L1033 HydrophobicContact CG1-CB 3.71Å; V1029-L1033 HydrophobicContact CG1-CD2 3.25Å; V1029-L1033 HydrophobicContact CG1-CG 4.11Å; V1029-F1034 HydrophobicContact CB-CE2 4.37Å; V1029-F1034 HydrophobicContact CG1-CD2 4.4Å; V1029-F1034 HydrophobicContact CG1-CE2 3.58Å; V1029-F1034 HydrophobicContact CG1-CZ 3.98Å; V1029-I1050 HydrophobicContact CG2-CG2 3.92Å; V1029-F1054 HydrophobicContact CB-CD2 4.39Å; V1029-F1054 HydrophobicContact CG2-CD2 3.64Å; V1029-F1054 HydrophobicContact CG2-CE2 3.83Å; V1029-F1054 HydrophobicContact CG2-CG 4.42Å
1030	T	93	Very high	91.6	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	9%	0.088	C	C	.	.			trans	-108.5	-178	-170.8	73.3	0	0	0	0	112.8	Y931 E1021 Y1028 K1032 L1033 F1034	Y931-T1030 HydrophobicContact CD2-CG2 4.19Å; Y931-T1030 HydrophobicContact CE2-CG2 4.02Å; E1021-T1030 VanDerWaalsContact CD-OG1 3.22Å; E1021-T1030 PolarHBondContact OE1-N 3.48Å; E1021-T1030 PolarHBondContact OE1-OG1 3.04Å; E1021-T1030 VanDerWaalsContact OE1-OG1 3.07Å; E1021-T1030 WeakPolarHBondContact OE2-CB 3.45Å; E1021-T1030 WeakPolarHBondContact OE2-CG2 3.34Å; E1021-T1030 PolarHBondContact OE2-OG1 3.2Å; Y1028-T1030 HydrophobicContact CD2-CG2 4.46Å; Y1028-T1030 HydrophobicContact CE1-CG2 3.81Å; Y1028-T1030 HydrophobicContact CE2-CG2 3.71Å; Y1028-T1030 WeakPolarHBondContact OH-CG2 3.41Å; T1030-K1032 PolarHBondContact O-N 3.31Å; T1030-K1032 PolarHBondContact OG1-NZ 2.8Å; T1030-L1033 PolarHBondContact O-N 3.22Å; T1030-F1034 VanDerWaalsContact O-CD2 3.26Å; T1030-F1034 WeakPolarHBondContact O-CD2 3.4Å
1031	E	89.5	Confident	91.4	Very high	37 Å²	37	19.5 Å²	19.5	17%	0.173	9%	0.088	C	C	.	.	H	α-helix	trans	-57.1	-21.6	179.7	72.2	-66	152.7	0	0	113.6	Y931 L1033 F1034 R1035	Y931-E1031 VanDerWaalsContact CD1-OE2 3.31Å; Y931-E1031 WeakPolarHBondContact CD1-OE2 3.42Å; Y931-E1031 WeakPolarHBondContact CE1-OE2 3.15Å; E1031-L1033 VanDerWaalsContact C-N 3.32Å; E1031-L1033 PolarHBondContact O-N 3.25Å; E1031-F1034 PolarHBondContact O-N 3.22Å; E1031-R1035 VanDerWaalsContact CG-CZ 3.43Å; E1031-R1035 WeakPolarHBondContact O-CB 3.47Å; E1031-R1035 WeakPolarHBondContact O-CG 3.39Å; E1031-R1035 PolarHBondContact O-N 2.84Å
1032	K	90.5	Very high	91.5	Very high	30 Å²	30	18.7 Å²	18.7	13%	0.13	9%	0.085	C	C	.	.	H	α-helix	trans	-60.4	-43.3	179.9	-68.8	170.9	-157.5	63.3	0	111.7	F1017 A1019 T1030 S1036	F1017-K1032 HydrophobicContact CE1-CB 4.35Å; A1019-K1032 HydrophobicContact CB-CB 4.49Å; T1030-K1032 PolarHBondContact O-N 3.31Å; T1030-K1032 PolarHBondContact OG1-NZ 2.8Å; K1032-S1036 PolarHBondContact O-N 2.77Å
1033	L	93.6	Very high	91.8	Very high	2 Å²	2	18 Å²	18	1%	0.01	8%	0.08	C	C	.	.	H	α-helix	trans	-64.8	-52.6	178.8	-172.8	60.5	0	0	0	110.9	A1019 V1029 T1030 E1031 S1036 L1037 P1043 V1045 A1051 L1055	A1019-L1033 HydrophobicContact CB-CB 4.31Å; A1019-L1033 HydrophobicContact CB-CD1 3.83Å; V1029-L1033 HydrophobicContact CG1-CB 3.71Å; V1029-L1033 HydrophobicContact CG1-CD2 3.25Å; V1029-L1033 HydrophobicContact CG1-CG 4.11Å; T1030-L1033 PolarHBondContact O-N 3.22Å; E1031-L1033 VanDerWaalsContact C-N 3.32Å; E1031-L1033 PolarHBondContact O-N 3.25Å; L1033-S1036 PolarHBondContact O-N 3.36Å; L1033-S1036 PolarHBondContact O-OG 3.48Å; L1033-L1037 PolarHBondContact O-N 3.47Å; L1033-P1043 HydrophobicContact CD1-CB 3.57Å; L1033-P1043 HydrophobicContact CD1-CG 4.01Å; L1033-V1045 HydrophobicContact CD1-CG1 3.43Å; L1033-V1045 VanDerWaalsContact CD1-CG1 3.43Å; L1033-A1051 HydrophobicContact CD2-CB 4.33Å; L1033-L1055 HydrophobicContact CD1-CD1 3.86Å; L1033-L1055 HydrophobicContact CD2-CD1 3.62Å; L1033-L1055 HydrophobicContact CD2-CD2 4.04Å; L1033-L1055 HydrophobicContact CD2-CG 3.83Å; L1033-L1055 HydrophobicContact CG-CD1 3.95Å; L1033-L1055 HydrophobicContact CG-CD2 4.34Å; L1033-L1055 HydrophobicContact CG-CG 4.46Å
1034	F	91.7	Very high	92.1	Very high	7 Å²	7	17.9 Å²	17.9	3%	0.031	8%	0.08	C	C	.	.	H	α-helix	trans	-73.3	-33.7	-172.8	-57.3	-80.7	0	0	0	113.4	G932 V934 V1029 T1030 E1031 S1036 L1037 Q1038 F1054 L1055 V1098	G932-F1034 VanDerWaalsContact CA-CG 3.46Å; G932-F1034 WeakPolarHBondContact O-CZ 3.49Å; V934-F1034 HydrophobicContact CG2-CD1 4.4Å; V934-F1034 HydrophobicContact CG2-CE1 4.45Å; V1029-F1034 HydrophobicContact CB-CE2 4.37Å; V1029-F1034 HydrophobicContact CG1-CD2 4.4Å; V1029-F1034 HydrophobicContact CG1-CE2 3.58Å; V1029-F1034 HydrophobicContact CG1-CZ 3.98Å; T1030-F1034 VanDerWaalsContact O-CD2 3.26Å; T1030-F1034 WeakPolarHBondContact O-CD2 3.4Å; E1031-F1034 PolarHBondContact O-N 3.22Å; F1034-S1036 VanDerWaalsContact C-N 3.32Å; F1034-S1036 PolarHBondContact O-N 3.09Å; F1034-L1037 PolarHBondContact O-N 3.19Å; F1034-Q1038 PolarHBondContact O-N 3.4Å; F1034-F1054 HydrophobicContact CZ-CB 4.21Å; F1034-L1055 HydrophobicContact CE1-CD2 4.24Å; F1034-V1098 HydrophobicContact CB-CG1 4.05Å
1035	R	85.9	Confident	92.3	Very high	80 Å²	80	18 Å²	18	30%	0.302	8%	0.08	S	C	.	.	H	α-helix	trans	-59.4	-45.5	171.2	-75.7	176	-172.1	172.3	5.2	110.5	E1031 L1037 Q1038 Y1039	E1031-R1035 VanDerWaalsContact CG-CZ 3.43Å; E1031-R1035 WeakPolarHBondContact O-CB 3.47Å; E1031-R1035 WeakPolarHBondContact O-CG 3.39Å; E1031-R1035 PolarHBondContact O-N 2.84Å; R1035-L1037 PolarHBondContact O-N 2.97Å; R1035-Q1038 WeakPolarHBondContact O-CB 3.13Å; R1035-Q1038 PolarHBondContact O-N 3.02Å; R1035-Y1039 WeakPolarHBondContact O-CD2 3.37Å; R1035-Y1039 PolarHBondContact O-N 3.36Å
1036	S	88.6	Confident	92.3	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.007	8%	0.082	C	C	.	.	H	α-helix	trans	-57.6	-35.7	-179.5	73	0	0	0	0	113.3	F1017 K1032 L1033 F1034 Y1039 V1041 P1043	F1017-S1036 VanDerWaalsContact CD1-CB 3.46Å; K1032-S1036 PolarHBondContact O-N 2.77Å; L1033-S1036 PolarHBondContact O-N 3.36Å; L1033-S1036 PolarHBondContact O-OG 3.48Å; F1034-S1036 VanDerWaalsContact C-N 3.32Å; F1034-S1036 PolarHBondContact O-N 3.09Å; S1036-Y1039 PolarHBondContact O-N 3.03Å; S1036-V1041 PolarHBondContact O-N 2.85Å; S1036-P1043 WeakPolarHBondContact OG-CB 3.33Å
1037	L	90.6	Very high	92.4	Very high	3 Å²	3	16.2 Å²	16.2	2%	0.016	7%	0.074	C	C	.	.	H	α-helix	trans	-69.5	-30.4	176	-63.1	169.4	0	0	0	113	V934 L1033 F1034 R1035 Y1039 P1043 L1055 W1092 M1093 V1098	V934-L1037 HydrophobicContact CG2-CD1 4Å; L1033-L1037 PolarHBondContact O-N 3.47Å; F1034-L1037 PolarHBondContact O-N 3.19Å; R1035-L1037 PolarHBondContact O-N 2.97Å; L1037-Y1039 VanDerWaalsContact C-N 3.28Å; L1037-Y1039 PolarHBondContact O-N 2.74Å; L1037-P1043 HydrophobicContact CD2-CG 3.66Å; L1037-P1043 HydrophobicContact CG-CG 4.24Å; L1037-L1055 HydrophobicContact CD1-CD2 3.38Å; L1037-W1092 HydrophobicContact CB-CH2 3.94Å; L1037-W1092 HydrophobicContact CB-CZ2 3.96Å; L1037-W1092 HydrophobicContact CD2-CH2 4.2Å; L1037-W1092 HydrophobicContact CD2-CZ2 3.52Å; L1037-W1092 HydrophobicContact CG-CH2 4.48Å; L1037-W1092 HydrophobicContact CG-CZ2 4.23Å; L1037-M1093 VanDerWaalsContact O-CE 3.24Å; L1037-M1093 WeakPolarHBondContact O-CE 3.29Å; L1037-V1098 HydrophobicContact CB-CG2 3.59Å; L1037-V1098 HydrophobicContact CD1-CG2 4.4Å
1038	Q	87.8	Confident	92.4	Very high	75 Å²	75	19.6 Å²	19.6	35%	0.35	9%	0.086	S	C	.	.	H	α-helix	trans	-73.9	-17.6	175.9	-68.5	175.2	-35	0	0	113.5	F1034 R1035 V1098	F1034-Q1038 PolarHBondContact O-N 3.4Å; R1035-Q1038 WeakPolarHBondContact O-CB 3.13Å; R1035-Q1038 PolarHBondContact O-N 3.02Å; Q1038-V1098 HydrophobicContact CG-CB 3.77Å; Q1038-V1098 HydrophobicContact CG-CG1 3.83Å; Q1038-V1098 HydrophobicContact CG-CG2 4.08Å
1039	Y	89.1	Confident	92.1	Very high	39 Å²	39	23.5 Å²	23.5	15%	0.153	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	19.5	-177.2	-68.7	-76.9	0	0	0	113	L1007 R1011 R1035 S1036 L1037 V1041	L1007-Y1039 HydrophobicContact CB-CD2 4.36Å; L1007-Y1039 HydrophobicContact CB-CE1 3.95Å; L1007-Y1039 HydrophobicContact CB-CE2 3.8Å; L1007-Y1039 HydrophobicContact CD1-CE2 4.16Å; L1007-Y1039 HydrophobicContact CD2-CE2 4.24Å; L1007-Y1039 HydrophobicContact CG-CE2 4.28Å; L1007-Y1039 WeakPolarHBondContact O-CD1 3.46Å; R1011-Y1039 WeakPolarHBondContact CA-O 3.32Å; R1011-Y1039 HydrophobicContact CB-CD1 4.12Å; R1011-Y1039 WeakPolarHBondContact CB-O 3.26Å; R1035-Y1039 WeakPolarHBondContact O-CD2 3.37Å; R1035-Y1039 PolarHBondContact O-N 3.36Å; S1036-Y1039 PolarHBondContact O-N 3.03Å; L1037-Y1039 VanDerWaalsContact C-N 3.28Å; L1037-Y1039 PolarHBondContact O-N 2.74Å; Y1039-V1041 VanDerWaalsContact C-N 3.31Å; Y1039-V1041 WeakPolarHBondContact O-CG2 3.49Å; Y1039-V1041 PolarHBondContact O-N 2.82Å
1040	N	86.2	Confident	92.1	Very high	23 Å²	23	24.6 Å²	24.6	12%	0.123	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	47.4	177.5	-53.3	-19.3	0	0	0	112.4	F949 K957 F1090	F949-N1040 WeakPolarHBondContact CE1-ND2 2.95Å; K957-N1040 WeakPolarHBondContact CE-O 3.12Å; K957-N1040 PolarHBondContact NZ-O 2.76Å; N1040-F1090 HydrophobicContact CB-CE1 4.45Å
1041	V	93.3	Very high	92.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	12%	0.12	C	C	.	.			trans	-126	144.4	175.3	-173.9	0	0	0	0	108.5	L1010 K1015 F1017 S1036 Y1039 P1043	L1010-V1041 HydrophobicContact CB-CG2 4.05Å; L1010-V1041 WeakPolarHBondContact O-CG2 3.09Å; K1015-V1041 WeakPolarHBondContact O-CG1 3.35Å; F1017-V1041 HydrophobicContact CB-CB 4.44Å; F1017-V1041 HydrophobicContact CB-CG1 3.67Å; S1036-V1041 PolarHBondContact O-N 2.85Å; Y1039-V1041 VanDerWaalsContact C-N 3.31Å; Y1039-V1041 WeakPolarHBondContact O-CG2 3.49Å; Y1039-V1041 PolarHBondContact O-N 2.82Å; V1041-P1043 VanDerWaalsContact O-CD 3.22Å; V1041-P1043 WeakPolarHBondContact O-CD 3.39Å
1042	V	96	Very high	92.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	117.3	177.1	-178.4	0	0	0	0	109.5	K1015 F1016 F1017 I1061 Y1086 Y1089 F1090	K1015-V1042 PolarHBondContact O-N 2.96Å; K1015-V1042 VanDerWaalsContact O-N 3.11Å; F1016-V1042 WeakPolarHBondContact CA-O 3.19Å; F1016-V1042 HydrophobicContact CD1-CB 3.72Å; F1016-V1042 HydrophobicContact CD1-CG1 4.07Å; F1016-V1042 HydrophobicContact CE1-CB 3.95Å; F1016-V1042 HydrophobicContact CE1-CG1 4.15Å; F1016-V1042 HydrophobicContact CE1-CG2 4.33Å; F1017-V1042 PolarHBondContact N-O 2.58Å; V1042-I1061 HydrophobicContact CG1-CD1 3.98Å; V1042-I1061 HydrophobicContact CG1-CG1 4.07Å; V1042-Y1086 HydrophobicContact CG2-CD2 4.23Å; V1042-Y1086 HydrophobicContact CG2-CE2 3.59Å; V1042-Y1089 HydrophobicContact CG1-CD1 3.81Å; V1042-Y1089 HydrophobicContact CG1-CE1 4.45Å; V1042-Y1089 HydrophobicContact CG1-CG 3.91Å; V1042-Y1089 HydrophobicContact CG2-CG 4.21Å; V1042-F1090 HydrophobicContact CG2-CE1 4.39Å; V1042-F1090 HydrophobicContact CG2-CE2 3.67Å; V1042-F1090 HydrophobicContact CG2-CZ 3.56Å
1043	P	97.8	Very high	92.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	136.3	174.9	18.8	-24.1	0	0	0	112.3	F1017 A1019 L1033 S1036 L1037 V1041 S1059 F1060 I1061	F1017-P1043 WeakPolarHBondContact O-CA 3.34Å; A1019-P1043 HydrophobicContact CB-CB 4.28Å; L1033-P1043 HydrophobicContact CD1-CB 3.57Å; L1033-P1043 HydrophobicContact CD1-CG 4.01Å; S1036-P1043 WeakPolarHBondContact OG-CB 3.33Å; L1037-P1043 HydrophobicContact CD2-CG 3.66Å; L1037-P1043 HydrophobicContact CG-CG 4.24Å; V1041-P1043 VanDerWaalsContact O-CD 3.22Å; V1041-P1043 WeakPolarHBondContact O-CD 3.39Å; P1043-S1059 WeakPolarHBondContact CD-O 3.37Å; P1043-F1060 HydrophobicContact CB-CB 4.4Å; P1043-F1060 HydrophobicContact CG-CB 3.76Å; P1043-F1060 WeakPolarHBondContact O-CA 3.34Å; P1043-I1061 PolarHBondContact O-N 3.16Å
1044	V	98.3	Very high	92.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.2	165	-169.8	0	0	0	0	108	F1016 F1017 L1018 A1019 F1020 I1061 L1072 L1076	F1016-V1044 HydrophobicContact CB-CG2 4.15Å; F1016-V1044 HydrophobicContact CD1-CG2 4.37Å; F1017-V1044 PolarHBondContact O-N 2.8Å; L1018-V1044 CarbonylContact C-O 3.58Å; L1018-V1044 HydrophobicContact CD2-CB 3.65Å; L1018-V1044 HydrophobicContact CD2-CG1 4.03Å; L1018-V1044 HydrophobicContact CD2-CG2 4.04Å; A1019-V1044 PolarHBondContact N-O 2.82Å; F1020-V1044 VanDerWaalsContact CD1-O 3.32Å; F1020-V1044 WeakPolarHBondContact CD1-O 3.49Å; F1020-V1044 HydrophobicContact CE1-CB 4.46Å; F1020-V1044 HydrophobicContact CE1-CG1 4.08Å; F1020-V1044 VanDerWaalsContact CE1-O 3.3Å; F1020-V1044 WeakPolarHBondContact CE1-O 3.38Å; F1020-V1044 HydrophobicContact CZ-CG1 4.43Å; V1044-I1061 CarbonylContact C-O 3.53Å; V1044-I1061 VanDerWaalsContact CA-O 3.27Å; V1044-I1061 WeakPolarHBondContact CA-O 3.33Å; V1044-I1061 HydrophobicContact CG1-CB 4.47Å; V1044-I1061 HydrophobicContact CG1-CG2 4.36Å; V1044-I1061 HydrophobicContact CG2-CB 4.35Å; V1044-L1072 HydrophobicContact CG1-CD1 4.23Å; V1044-L1072 HydrophobicContact CG1-CD2 4.06Å; V1044-L1076 HydrophobicContact CG2-CD2 4.25Å
1045	V	97.2	Very high	92.5	Very high	9 Å²	9	26.3 Å²	26.3	6%	0.055	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	160.1	-178.7	-57.8	0	0	0	0	111.1	A1019 L1033 A1051 F1060 I1061 A1062 A1063	A1019-V1045 HydrophobicContact CB-CG1 4.39Å; L1033-V1045 HydrophobicContact CD1-CG1 3.43Å; L1033-V1045 VanDerWaalsContact CD1-CG1 3.43Å; V1045-A1051 HydrophobicContact CB-CB 4.16Å; V1045-A1051 HydrophobicContact CG1-CB 3.98Å; V1045-A1051 HydrophobicContact CG2-CB 3.74Å; V1045-F1060 HydrophobicContact CG1-CD2 4.42Å; V1045-F1060 HydrophobicContact CG2-CD2 3.63Å; V1045-F1060 HydrophobicContact CG2-CE2 3.79Å; V1045-I1061 PolarHBondContact N-O 3.1Å; V1045-A1062 HydrophobicContact CG2-CB 3.83Å; V1045-A1062 WeakPolarHBondContact O-CA 3.43Å; V1045-A1063 WeakPolarHBondContact O-CB 3.39Å; V1045-A1063 PolarHBondContact O-N 3.04Å
1046	L	94.4	Very high	92.8	Very high	6 Å²	6	23.5 Å²	23.5	3%	0.031	13%	0.13	C	C	.	.	S	Bend	trans	-71.3	-39.9	176	-80.1	174	0	0	0	112.9	R974 Y977 F1020 V1024 D1064 Y1147	R974-L1046 HydrophobicContact CB-CD1 3.88Å; Y977-L1046 HydrophobicContact CG-CD2 4.29Å; F1020-L1046 HydrophobicContact CB-CD1 4.13Å; F1020-L1046 HydrophobicContact CB-CG 4.01Å; F1020-L1046 HydrophobicContact CD1-CB 4.49Å; F1020-L1046 HydrophobicContact CD1-CD2 4.15Å; F1020-L1046 HydrophobicContact CD1-CG 3.73Å; F1020-L1046 HydrophobicContact CD2-CD2 3.83Å; F1020-L1046 HydrophobicContact CD2-CG 4Å; F1020-L1046 HydrophobicContact CE1-CD2 4.11Å; F1020-L1046 HydrophobicContact CE1-CG 4.13Å; F1020-L1046 HydrophobicContact CE2-CD2 3.82Å; F1020-L1046 HydrophobicContact CE2-CG 4.39Å; F1020-L1046 HydrophobicContact CG-CD1 4.26Å; F1020-L1046 HydrophobicContact CG-CD2 4Å; F1020-L1046 HydrophobicContact CG-CG 3.65Å; F1020-L1046 HydrophobicContact CZ-CD2 3.95Å; F1020-L1046 HydrophobicContact CZ-CG 4.44Å; V1024-L1046 HydrophobicContact CG2-CB 4.43Å; V1024-L1046 HydrophobicContact CG2-CD1 4.11Å; L1046-D1064 PolarHBondContact O-N 3.23Å; L1046-Y1147 HydrophobicContact CB-CD1 4.24Å; L1046-Y1147 HydrophobicContact CB-CE1 4.49Å; L1046-Y1147 WeakPolarHBondContact O-CE1 3.47Å
1047	S	94.2	Very high	92.7	Very high	5 Å²	5	30.3 Å²	30.3	4%	0.035	17%	0.166	C	C	.	.			trans	-134	126.4	-177.4	-174.7	0	0	0	0	114.6	S1049 I1050 A1051 D1064 Y1147	S1047-S1049 PolarHBondContact OG-N 3.41Å; S1047-S1049 PolarHBondContact OG-OG 2.95Å; S1047-I1050 PolarHBondContact O-N 3.4Å; S1047-A1051 PolarHBondContact O-N 3.05Å; S1047-A1051 VanDerWaalsContact O-N 3.17Å; S1047-D1064 VanDerWaalsContact CA-CG 3.49Å; S1047-D1064 WeakPolarHBondContact CA-OD1 3.38Å; S1047-D1064 WeakPolarHBondContact CA-OD2 3.35Å; S1047-D1064 VanDerWaalsContact CB-OD2 3.29Å; S1047-D1064 WeakPolarHBondContact CB-OD2 3.43Å; S1047-D1064 PolarHBondContact OG-OD2 3.23Å; S1047-Y1147 PolarHBondContact OG-OH 3.37Å
1048	R	93.8	Very high	92.8	Very high	80 Å²	80	32.1 Å²	32.1	30%	0.302	19%	0.186	S	C	.	.	H	α-helix	trans	-59.2	-46.8	174.1	179.8	162.2	-68.9	-73.8	-4.9	111.4	I1050 A1051 A1052 F1060 A1062 D1064 D1065	R1048-I1050 PolarHBondContact O-N 3.43Å; R1048-I1050 VanDerWaalsContact O-N 3.16Å; R1048-A1051 PolarHBondContact O-N 3.34Å; R1048-A1052 HydrophobicContact CG-CB 4.28Å; R1048-A1052 WeakPolarHBondContact O-CB 3.43Å; R1048-A1052 PolarHBondContact O-N 2.94Å; R1048-F1060 HydrophobicContact CG-CE2 4.49Å; R1048-F1060 HydrophobicContact CG-CZ 4.34Å; R1048-A1062 HydrophobicContact CB-CB 3.54Å; R1048-D1064 PolarHBondContact N-OD1 3.16Å; R1048-D1064 PolarHBondContact N-OD2 2.87Å; R1048-D1065 VanDerWaalsContact CD-OD1 3.3Å; R1048-D1065 WeakPolarHBondContact CD-OD1 3.48Å; R1048-D1065 IonicContact CZ-OD1 2.62Å; R1048-D1065 IonicContact CZ-OD2 2.76Å; R1048-D1065 IonicContact NE-OD1 3.54Å; R1048-D1065 PolarHBondContact NE-OD1 3.41Å; R1048-D1065 IonicContact NE-OD2 2.65Å; R1048-D1065 PolarHBondContact NE-OD2 3.48Å; R1048-D1065 IonicContact NH2-OD2 3.78Å; R1048-D1065 PolarHBondContact NH2-OD2 3.36Å
1049	S	90.5	Very high	93.1	Very high	85 Å²	85	28.5 Å²	28.5	59%	0.594	17%	0.169	S	C	*	.	H	α-helix	trans	-60.2	-28.6	-176.5	70.6	0	0	0	0	113.2	S1047	S1047-S1049 PolarHBondContact OG-N 3.41Å; S1047-S1049 PolarHBondContact OG-OG 2.95Å
1050	I	93.2	Very high	93.5	Very high	32 Å²	32	26.7 Å²	26.7	16%	0.164	16%	0.162	C	C	.	.	H	α-helix	trans	-84.7	-41.9	177.6	-59.8	-52.2	0	0	0	111.7	V1024 C1025 V1029 S1047 R1048 F1054	V1024-I1050 HydrophobicContact CG1-CG1 3.94Å; C1025-I1050 WeakPolarHBondContact O-CD1 3.22Å; V1029-I1050 HydrophobicContact CG2-CG2 3.92Å; S1047-I1050 PolarHBondContact O-N 3.4Å; R1048-I1050 PolarHBondContact O-N 3.43Å; R1048-I1050 VanDerWaalsContact O-N 3.16Å; I1050-F1054 VanDerWaalsContact O-CD2 3.23Å; I1050-F1054 WeakPolarHBondContact O-CD2 3.28Å; I1050-F1054 WeakPolarHBondContact O-CE2 3.36Å
1051	A	93.5	Very high	94.1	Very high	4 Å²	4	25.7 Å²	25.7	3%	0.033	16%	0.156	C	C	.	.	H	α-helix	trans	-85.2	-36.2	-174.5	0	0	0	0	0	114.3	L1033 V1045 S1047 R1048 P1053 F1054 L1055 F1060	L1033-A1051 HydrophobicContact CD2-CB 4.33Å; V1045-A1051 HydrophobicContact CB-CB 4.16Å; V1045-A1051 HydrophobicContact CG1-CB 3.98Å; V1045-A1051 HydrophobicContact CG2-CB 3.74Å; S1047-A1051 PolarHBondContact O-N 3.05Å; S1047-A1051 VanDerWaalsContact O-N 3.17Å; R1048-A1051 PolarHBondContact O-N 3.34Å; A1051-P1053 VanDerWaalsContact C-N 3.32Å; A1051-F1054 PolarHBondContact O-N 2.8Å; A1051-L1055 PolarHBondContact O-N 2.99Å; A1051-F1060 HydrophobicContact CB-CD2 4.3Å; A1051-F1060 HydrophobicContact CB-CE2 3.9Å; A1051-F1060 HydrophobicContact CB-CZ 4.18Å
1052	A	93.7	Very high	94.2	Very high	29 Å²	29	25.7 Å²	25.7	24%	0.24	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-52.4	-39.3	-174.7	0	0	0	0	0	114.2	R1048 F1054 L1055 F1060	R1048-A1052 HydrophobicContact CG-CB 4.28Å; R1048-A1052 WeakPolarHBondContact O-CB 3.43Å; R1048-A1052 PolarHBondContact O-N 2.94Å; A1052-F1054 PolarHBondContact O-N 2.51Å; A1052-F1054 VanDerWaalsContact O-N 3.13Å; A1052-L1055 PolarHBondContact O-N 3.3Å; A1052-L1055 VanDerWaalsContact O-O 3.05Å; A1052-F1060 HydrophobicContact CB-CE1 4.36Å; A1052-F1060 HydrophobicContact CB-CZ 3.88Å
1053	P	93.1	Very high	94.2	Very high	57 Å²	57	25.6 Å²	25.6	37%	0.37	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-66.8	-12.1	179.5	-21.3	34.2	0	0	0	115.4	A1051	A1051-P1053 VanDerWaalsContact C-N 3.32Å
1054	F	92.8	Very high	93.9	Very high	11 Å²	11	27.5 Å²	27.5	5%	0.048	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-109.8	-9.8	-176.2	-56.6	-78.2	0	0	0	113.4	R923 Y928 W933 D1027 V1029 F1034 I1050 A1051 A1052	R923-F1054 HydrophobicContact CG-CE1 3.98Å; R923-F1054 HydrophobicContact CG-CZ 4.26Å; Y928-F1054 VanDerWaalsContact OH-CE1 3.23Å; Y928-F1054 WeakPolarHBondContact OH-CE1 3.39Å; W933-F1054 HydrophobicContact CZ3-CD1 4.19Å; D1027-F1054 HydrophobicContact CB-CZ 3.87Å; V1029-F1054 HydrophobicContact CB-CD2 4.39Å; V1029-F1054 HydrophobicContact CG2-CD2 3.64Å; V1029-F1054 HydrophobicContact CG2-CE2 3.83Å; V1029-F1054 HydrophobicContact CG2-CG 4.42Å; F1034-F1054 HydrophobicContact CZ-CB 4.21Å; I1050-F1054 VanDerWaalsContact O-CD2 3.23Å; I1050-F1054 WeakPolarHBondContact O-CD2 3.28Å; I1050-F1054 WeakPolarHBondContact O-CE2 3.36Å; A1051-F1054 PolarHBondContact O-N 2.8Å; A1052-F1054 PolarHBondContact O-N 2.51Å; A1052-F1054 VanDerWaalsContact O-N 3.13Å
1055	L	92.5	Very high	93.6	Very high	12 Å²	12	31.2 Å²	31.2	6%	0.063	19%	0.186	C	C	.	.	S	Bend	trans	-127.6	146	-170.7	-67.7	-166.8	0	0	0	111.4	V934 L1033 F1034 L1037 A1051 A1052 F1060	V934-L1055 HydrophobicContact CG2-CD2 3.87Å; L1033-L1055 HydrophobicContact CD1-CD1 3.86Å; L1033-L1055 HydrophobicContact CD2-CD1 3.62Å; L1033-L1055 HydrophobicContact CD2-CD2 4.04Å; L1033-L1055 HydrophobicContact CD2-CG 3.83Å; L1033-L1055 HydrophobicContact CG-CD1 3.95Å; L1033-L1055 HydrophobicContact CG-CD2 4.34Å; L1033-L1055 HydrophobicContact CG-CG 4.46Å; F1034-L1055 HydrophobicContact CE1-CD2 4.24Å; L1037-L1055 HydrophobicContact CD1-CD2 3.38Å; A1051-L1055 PolarHBondContact O-N 2.99Å; A1052-L1055 PolarHBondContact O-N 3.3Å; A1052-L1055 VanDerWaalsContact O-O 3.05Å; L1055-F1060 HydrophobicContact CB-CD1 3.79Å; L1055-F1060 HydrophobicContact CB-CE1 3.99Å; L1055-F1060 HydrophobicContact CD1-CB 3.75Å; L1055-F1060 HydrophobicContact CD1-CD1 3.51Å; L1055-F1060 HydrophobicContact CD1-CE1 4.26Å; L1055-F1060 HydrophobicContact CD1-CG 3.69Å; L1055-F1060 HydrophobicContact CG-CD1 4.3Å
1056	P	91.7	Very high	93.2	Very high	21 Å²	21	32.4 Å²	32.4	14%	0.136	19%	0.19	C	C	.	.			trans	-58.2	144.8	170.2	-23.8	34.7	0	0	0	111.5	V934 G1058 S1059 W1092 H1096	V934-P1056 HydrophobicContact CG1-CG 3.78Å; P1056-G1058 PolarHBondContact O-N 3.31Å; P1056-S1059 VanDerWaalsContact O-CB 3.32Å; P1056-S1059 WeakPolarHBondContact O-CB 3.25Å; P1056-S1059 PolarHBondContact O-N 2.72Å; P1056-S1059 VanDerWaalsContact O-N 3.17Å; P1056-S1059 PolarHBondContact O-OG 3.13Å; P1056-W1092 HydrophobicContact CB-CB 3.62Å; P1056-W1092 HydrophobicContact CB-CG 4.35Å; P1056-W1092 HydrophobicContact CG-CB 3.92Å; P1056-W1092 HydrophobicContact CG-CD2 4.38Å; P1056-W1092 HydrophobicContact CG-CE3 4.08Å; P1056-W1092 HydrophobicContact CG-CG 4.34Å; P1056-H1096 HydrophobicContact CG-CB 4.46Å
1057	N	88	Confident	92.4	Very high	143 Å²	143	35.4 Å²	35.4	77%	0.765	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	140.3	172.3	-76.2	-19.7	0	0	0	110.5	S1059	N1057-S1059 VanDerWaalsContact C-N 3.26Å; N1057-S1059 PolarHBondContact O-N 3.25Å
1058	G	90.9	Very high	91.9	Very high	41 Å²	41	37.7 Å²	37.7	42%	0.423	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	1	-178.1	0	0	0	0	0	115.3	P1056 Y1089	P1056-G1058 PolarHBondContact O-N 3.31Å; G1058-Y1089 VanDerWaalsContact O-CA 3.31Å; G1058-Y1089 WeakPolarHBondContact O-CA 3.41Å; G1058-Y1089 WeakPolarHBondContact O-CD1 3.43Å
1059	S	94.8	Very high	91.6	Very high	0 Å²	0	34 Å²	34	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-87.2	-7	179.4	65.3	0	0	0	0	115.2	P1043 P1056 N1057	P1043-S1059 WeakPolarHBondContact CD-O 3.37Å; P1056-S1059 VanDerWaalsContact O-CB 3.32Å; P1056-S1059 WeakPolarHBondContact O-CB 3.25Å; P1056-S1059 PolarHBondContact O-N 2.72Å; P1056-S1059 VanDerWaalsContact O-N 3.17Å; P1056-S1059 PolarHBondContact O-OG 3.13Å; N1057-S1059 VanDerWaalsContact C-N 3.26Å; N1057-S1059 PolarHBondContact O-N 3.25Å
1060	F	97.5	Very high	91.4	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	21%	0.212	C	C	.	.			trans	-152.2	161.2	-174.6	73.9	-81.9	0	0	0	112.6	P1043 V1045 R1048 A1051 A1052 L1055 A1062	P1043-F1060 HydrophobicContact CB-CB 4.4Å; P1043-F1060 HydrophobicContact CG-CB 3.76Å; P1043-F1060 WeakPolarHBondContact O-CA 3.34Å; V1045-F1060 HydrophobicContact CG1-CD2 4.42Å; V1045-F1060 HydrophobicContact CG2-CD2 3.63Å; V1045-F1060 HydrophobicContact CG2-CE2 3.79Å; R1048-F1060 HydrophobicContact CG-CE2 4.49Å; R1048-F1060 HydrophobicContact CG-CZ 4.34Å; A1051-F1060 HydrophobicContact CB-CD2 4.3Å; A1051-F1060 HydrophobicContact CB-CE2 3.9Å; A1051-F1060 HydrophobicContact CB-CZ 4.18Å; A1052-F1060 HydrophobicContact CB-CE1 4.36Å; A1052-F1060 HydrophobicContact CB-CZ 3.88Å; L1055-F1060 HydrophobicContact CB-CD1 3.79Å; L1055-F1060 HydrophobicContact CB-CE1 3.99Å; L1055-F1060 HydrophobicContact CD1-CB 3.75Å; L1055-F1060 HydrophobicContact CD1-CD1 3.51Å; L1055-F1060 HydrophobicContact CD1-CE1 4.26Å; L1055-F1060 HydrophobicContact CD1-CG 3.69Å; L1055-F1060 HydrophobicContact CG-CD1 4.3Å; F1060-A1062 HydrophobicContact CE2-CB 4.16Å
1061	I	98.2	Very high	91.3	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	136.3	174.4	-59.8	171.2	0	0	0	108.2	F1016 V1042 P1043 V1044 V1045 F1066 L1072 Y1075 L1076 L1079 Y1089	F1016-I1061 HydrophobicContact CD1-CD1 4.04Å; F1016-I1061 HydrophobicContact CE1-CD1 3.73Å; V1042-I1061 HydrophobicContact CG1-CD1 3.98Å; V1042-I1061 HydrophobicContact CG1-CG1 4.07Å; P1043-I1061 PolarHBondContact O-N 3.16Å; V1044-I1061 CarbonylContact C-O 3.53Å; V1044-I1061 VanDerWaalsContact CA-O 3.27Å; V1044-I1061 WeakPolarHBondContact CA-O 3.33Å; V1044-I1061 HydrophobicContact CG1-CB 4.47Å; V1044-I1061 HydrophobicContact CG1-CG2 4.36Å; V1044-I1061 HydrophobicContact CG2-CB 4.35Å; V1045-I1061 PolarHBondContact N-O 3.1Å; I1061-F1066 HydrophobicContact CG2-CE2 3.72Å; I1061-F1066 HydrophobicContact CG2-CZ 4.2Å; I1061-L1072 HydrophobicContact CG2-CD1 3.78Å; I1061-Y1075 HydrophobicContact CD1-CD1 4.32Å; I1061-Y1075 HydrophobicContact CD1-CE1 3.98Å; I1061-Y1075 HydrophobicContact CG1-CE1 4.32Å; I1061-Y1075 HydrophobicContact CG2-CD1 4.5Å; I1061-L1076 HydrophobicContact CD1-CD2 3.68Å; I1061-L1079 HydrophobicContact CD1-CD1 3.67Å; I1061-Y1089 HydrophobicContact CD1-CE1 4.28Å; I1061-Y1089 HydrophobicContact CD1-CE2 4.41Å; I1061-Y1089 HydrophobicContact CG1-CD1 4.3Å; I1061-Y1089 HydrophobicContact CG1-CE1 3.53Å; I1061-Y1089 HydrophobicContact CG1-CE2 4.45Å
1062	A	97.1	Very high	91.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	133.2	172.9	0	0	0	0	0	110.8	V1045 R1048 F1060 D1064 D1065 F1066	V1045-A1062 HydrophobicContact CG2-CB 3.83Å; V1045-A1062 WeakPolarHBondContact O-CA 3.43Å; R1048-A1062 HydrophobicContact CB-CB 3.54Å; F1060-A1062 HydrophobicContact CE2-CB 4.16Å; A1062-D1064 VanDerWaalsContact CB-OD1 3.24Å; A1062-D1064 WeakPolarHBondContact CB-OD1 3.42Å; A1062-D1064 PolarHBondContact O-N 3.03Å; A1062-D1065 WeakPolarHBondContact CB-OD2 3.44Å; A1062-D1065 PolarHBondContact N-OD2 3.26Å; A1062-D1065 WeakPolarHBondContact O-CB 3.4Å; A1062-D1065 PolarHBondContact O-N 3.46Å; A1062-F1066 VanDerWaalsContact O-CD2 3.31Å; A1062-F1066 WeakPolarHBondContact O-CD2 3.44Å; A1062-F1066 VanDerWaalsContact O-CE2 3.31Å; A1062-F1066 WeakPolarHBondContact O-CE2 3.14Å
1063	A	94.6	Very high	91.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-61.8	-31.2	178	0	0	0	0	0	112.1	Y977 F1020 V1045 D1065 F1066 L1072	Y977-A1063 HydrophobicContact CE1-CB 3.93Å; Y977-A1063 HydrophobicContact CE2-CB 4.26Å; F1020-A1063 HydrophobicContact CZ-CB 4.35Å; V1045-A1063 WeakPolarHBondContact O-CB 3.39Å; V1045-A1063 PolarHBondContact O-N 3.04Å; A1063-D1065 PolarHBondContact O-N 2.94Å; A1063-F1066 PolarHBondContact O-N 2.98Å; A1063-L1072 HydrophobicContact CB-CD2 4.11Å
1064	D	92.5	Very high	91.6	Very high	40 Å²	40	38.4 Å²	38.4	21%	0.214	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-79.4	0	179.3	68.5	-19.1	0	0	0	115.3	L1046 S1047 R1048 A1062 Y1147 F1151	L1046-D1064 PolarHBondContact O-N 3.23Å; S1047-D1064 VanDerWaalsContact CA-CG 3.49Å; S1047-D1064 WeakPolarHBondContact CA-OD1 3.38Å; S1047-D1064 WeakPolarHBondContact CA-OD2 3.35Å; S1047-D1064 VanDerWaalsContact CB-OD2 3.29Å; S1047-D1064 WeakPolarHBondContact CB-OD2 3.43Å; S1047-D1064 PolarHBondContact OG-OD2 3.23Å; R1048-D1064 PolarHBondContact N-OD1 3.16Å; R1048-D1064 PolarHBondContact N-OD2 2.87Å; A1062-D1064 VanDerWaalsContact CB-OD1 3.24Å; A1062-D1064 WeakPolarHBondContact CB-OD1 3.42Å; A1062-D1064 PolarHBondContact O-N 3.03Å; D1064-Y1147 HydrophobicContact CB-CE1 4.27Å; D1064-Y1147 WeakPolarHBondContact CB-OH 3.24Å; D1064-Y1147 PolarHBondContact OD2-OH 3.36Å; D1064-F1151 HydrophobicContact CB-CE1 3.79Å; D1064-F1151 HydrophobicContact CB-CZ 3.43Å; D1064-F1151 VanDerWaalsContact CB-CZ 3.43Å
1065	D	91.1	Very high	91.8	Very high	78 Å²	78	40 Å²	40	42%	0.417	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-77.5	-13.4	165.8	-59.8	-34.9	0	0	0	112.3	R1048 A1062 A1063	R1048-D1065 VanDerWaalsContact CD-OD1 3.3Å; R1048-D1065 WeakPolarHBondContact CD-OD1 3.48Å; R1048-D1065 IonicContact CZ-OD1 2.62Å; R1048-D1065 IonicContact CZ-OD2 2.76Å; R1048-D1065 IonicContact NE-OD1 3.54Å; R1048-D1065 PolarHBondContact NE-OD1 3.41Å; R1048-D1065 IonicContact NE-OD2 2.65Å; R1048-D1065 PolarHBondContact NE-OD2 3.48Å; R1048-D1065 IonicContact NH2-OD2 3.78Å; R1048-D1065 PolarHBondContact NH2-OD2 3.36Å; A1062-D1065 WeakPolarHBondContact CB-OD2 3.44Å; A1062-D1065 PolarHBondContact N-OD2 3.26Å; A1062-D1065 WeakPolarHBondContact O-CB 3.4Å; A1062-D1065 PolarHBondContact O-N 3.46Å; A1063-D1065 PolarHBondContact O-N 2.94Å
1066	F	89.9	Confident	92.1	Very high	34 Å²	34	39.4 Å²	39.4	15%	0.149	22%	0.22	C	C	.	.	S	Bend	trans	-111.9	143.3	-177.3	-54.9	-87.8	0	0	0	109.6	I1061 A1062 A1063 T1068 E1071 L1072 Y1075	I1061-F1066 HydrophobicContact CG2-CE2 3.72Å; I1061-F1066 HydrophobicContact CG2-CZ 4.2Å; A1062-F1066 VanDerWaalsContact O-CD2 3.31Å; A1062-F1066 WeakPolarHBondContact O-CD2 3.44Å; A1062-F1066 VanDerWaalsContact O-CE2 3.31Å; A1062-F1066 WeakPolarHBondContact O-CE2 3.14Å; A1063-F1066 PolarHBondContact O-N 2.98Å; F1066-T1068 VanDerWaalsContact C-N 3.27Å; F1066-T1068 PolarHBondContact O-N 3.32Å; F1066-E1071 HydrophobicContact CB-CB 4.04Å; F1066-E1071 HydrophobicContact CD1-CB 4.1Å; F1066-L1072 HydrophobicContact CB-CB 4.23Å; F1066-L1072 HydrophobicContact CD2-CB 3.91Å; F1066-L1072 HydrophobicContact CD2-CD1 3.71Å; F1066-L1072 HydrophobicContact CD2-CG 4.35Å; F1066-L1072 HydrophobicContact CE2-CB 4.48Å; F1066-L1072 HydrophobicContact CE2-CD1 3.5Å; F1066-L1072 VanDerWaalsContact CE2-CD1 3.5Å; F1066-L1072 HydrophobicContact CG-CB 3.95Å; F1066-L1072 HydrophobicContact CG-CD1 4.49Å; F1066-L1072 HydrophobicContact CZ-CD1 4.11Å; F1066-Y1075 AromaticContact CE1-CD1 3.96Å; F1066-Y1075 HydrophobicContact CE1-CD1 3.96Å; F1066-Y1075 HydrophobicContact CE1-CD2 4.25Å; F1066-Y1075 AromaticContact CE1-CG 3.64Å; F1066-Y1075 HydrophobicContact CE1-CG 3.64Å; F1066-Y1075 HydrophobicContact CE2-CD1 4.44Å; F1066-Y1075 AromaticContact CZ-CD1 3.43Å; F1066-Y1075 HydrophobicContact CZ-CD1 3.43Å; F1066-Y1075 VanDerWaalsContact CZ-CD1 3.43Å; F1066-Y1075 HydrophobicContact CZ-CD2 4.43Å; F1066-Y1075 HydrophobicContact CZ-CE1 4.06Å; F1066-Y1075 AromaticContact CZ-CG 3.64Å; F1066-Y1075 HydrophobicContact CZ-CG 3.64Å
1067	A	76.7	Confident	92.3	Very high	69 Å²	69	44 Å²	44	57%	0.57	24%	0.235	S	C	*	.	S	Bend	trans	-70.1	-30.4	179.7	0	0	0	0	0	111.4	E1071	A1067-E1071 WeakPolarHBondContact CB-OE2 3.41Å; A1067-E1071 PolarHBondContact N-OE2 3.37Å
1068	T	83.4	Confident	92.7	Very high	52 Å²	52	41.8 Å²	41.8	32%	0.319	22%	0.22	S	C	.	.	S	Bend	trans	-139.8	159	-177.4	67	0	0	0	0	112.9	F1066 K1070 E1071 L1072	F1066-T1068 VanDerWaalsContact C-N 3.27Å; F1066-T1068 PolarHBondContact O-N 3.32Å; T1068-K1070 PolarHBondContact O-N 3.31Å; T1068-K1070 PolarHBondContact OG1-N 3.21Å; T1068-E1071 PolarHBondContact O-N 3.4Å; T1068-E1071 PolarHBondContact OG1-N 3.43Å; T1068-L1072 PolarHBondContact O-N 3.11Å
1069	A	87.8	Confident	92.9	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.033	20%	0.2	C	C	.	.	H	α-helix	trans	-60.3	-27.5	171.4	0	0	0	0	0	112.7	Y977 A980 L981 A1073	Y977-A1069 HydrophobicContact CE1-CB 4.28Å; Y977-A1069 HydrophobicContact CE2-CB 4.38Å; A980-A1069 HydrophobicContact CB-CB 3.87Å; L981-A1069 HydrophobicContact CB-CB 4.32Å; L981-A1069 HydrophobicContact CD1-CB 4.46Å; L981-A1069 VanDerWaalsContact CD1-O 3.28Å; L981-A1069 WeakPolarHBondContact CD1-O 3.27Å; A1069-A1073 WeakPolarHBondContact O-CB 3.41Å; A1069-A1073 PolarHBondContact O-N 3.41Å
1070	K	87.3	Confident	92.8	Very high	113 Å²	113	42.3 Å²	42.3	49%	0.491	21%	0.213	S	C	.	.	H	α-helix	trans	-65.4	-45.7	174.5	-173.1	-179.8	174.6	-175.6	0	111.9	H984 T1068 L1072 A1073 L1074	H984-K1070 VanDerWaalsContact CD2-CA 3.41Å; H984-K1070 WeakPolarHBondContact CD2-CA 3.49Å; H984-K1070 VanDerWaalsContact CD2-CB 3.5Å; H984-K1070 WeakPolarHBondContact CD2-CB 3.45Å; T1068-K1070 PolarHBondContact O-N 3.31Å; T1068-K1070 PolarHBondContact OG1-N 3.21Å; K1070-L1072 VanDerWaalsContact C-N 3.35Å; K1070-A1073 WeakPolarHBondContact O-CB 3.46Å; K1070-A1073 PolarHBondContact O-N 2.93Å; K1070-L1074 HydrophobicContact CG-CD1 4.4Å; K1070-L1074 WeakPolarHBondContact O-CG 3.43Å; K1070-L1074 PolarHBondContact O-N 2.91Å
1071	E	90.5	Very high	92.5	Very high	89 Å²	89	49.9 Å²	49.9	42%	0.416	25%	0.248	S	C	.	.	H	α-helix	trans	-63.5	-42.1	177.8	-75.8	169.8	-160.3	0	0	111.6	F1066 A1067 T1068 A1073 L1074 Y1075	F1066-E1071 HydrophobicContact CB-CB 4.04Å; F1066-E1071 HydrophobicContact CD1-CB 4.1Å; A1067-E1071 WeakPolarHBondContact CB-OE2 3.41Å; A1067-E1071 PolarHBondContact N-OE2 3.37Å; T1068-E1071 PolarHBondContact O-N 3.4Å; T1068-E1071 PolarHBondContact OG1-N 3.43Å; E1071-A1073 PolarHBondContact O-N 3.42Å; E1071-L1074 PolarHBondContact O-N 3.23Å; E1071-Y1075 WeakPolarHBondContact O-CB 3.3Å; E1071-Y1075 PolarHBondContact O-N 3.22Å
1072	L	96.5	Very high	92.2	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-47.9	171.3	174.8	63.5	0	0	0	111	Y977 L981 V1044 I1061 A1063 F1066 T1068 K1070 L1074 Y1075 L1076	Y977-L1072 HydrophobicContact CE1-CD2 3.8Å; Y977-L1072 WeakPolarHBondContact OH-CD2 3.5Å; L981-L1072 HydrophobicContact CD1-CB 4.42Å; L981-L1072 HydrophobicContact CD1-CD2 4.08Å; L981-L1072 HydrophobicContact CD1-CG 4.19Å; L981-L1072 HydrophobicContact CD2-CD2 4.25Å; V1044-L1072 HydrophobicContact CG1-CD1 4.23Å; V1044-L1072 HydrophobicContact CG1-CD2 4.06Å; I1061-L1072 HydrophobicContact CG2-CD1 3.78Å; A1063-L1072 HydrophobicContact CB-CD2 4.11Å; F1066-L1072 HydrophobicContact CB-CB 4.23Å; F1066-L1072 HydrophobicContact CD2-CB 3.91Å; F1066-L1072 HydrophobicContact CD2-CD1 3.71Å; F1066-L1072 HydrophobicContact CD2-CG 4.35Å; F1066-L1072 HydrophobicContact CE2-CB 4.48Å; F1066-L1072 HydrophobicContact CE2-CD1 3.5Å; F1066-L1072 VanDerWaalsContact CE2-CD1 3.5Å; F1066-L1072 HydrophobicContact CG-CB 3.95Å; F1066-L1072 HydrophobicContact CG-CD1 4.49Å; F1066-L1072 HydrophobicContact CZ-CD1 4.11Å; T1068-L1072 PolarHBondContact O-N 3.11Å; K1070-L1072 VanDerWaalsContact C-N 3.35Å; L1072-L1074 VanDerWaalsContact C-N 3.34Å; L1072-L1074 PolarHBondContact O-N 3.03Å; L1072-Y1075 WeakPolarHBondContact O-CB 3.41Å; L1072-Y1075 PolarHBondContact O-N 3.43Å; L1072-Y1075 VanDerWaalsContact O-N 3.17Å; L1072-L1076 HydrophobicContact CD1-CD1 4.43Å; L1072-L1076 HydrophobicContact CD1-CD2 4.28Å; L1072-L1076 HydrophobicContact CD1-CG 4.15Å; L1072-L1076 HydrophobicContact CG-CD1 4.36Å; L1072-L1076 HydrophobicContact CG-CG 4.42Å; L1072-L1076 WeakPolarHBondContact O-CG 3.5Å; L1072-L1076 PolarHBondContact O-N 3.41Å
1073	A	95.9	Very high	91.8	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-42.6	178	0	0	0	0	0	113.1	L981 H984 V985 A1069 K1070 E1071 Y1075 L1076 R1077	L981-A1073 HydrophobicContact CD1-CB 3.88Å; H984-A1073 HydrophobicContact CB-CB 3.41Å; H984-A1073 VanDerWaalsContact CB-CB 3.41Å; V985-A1073 HydrophobicContact CB-CB 3.87Å; V985-A1073 HydrophobicContact CG1-CB 3.83Å; A1069-A1073 WeakPolarHBondContact O-CB 3.41Å; A1069-A1073 PolarHBondContact O-N 3.41Å; K1070-A1073 WeakPolarHBondContact O-CB 3.46Å; K1070-A1073 PolarHBondContact O-N 2.93Å; E1071-A1073 PolarHBondContact O-N 3.42Å; A1073-Y1075 VanDerWaalsContact C-N 3.33Å; A1073-L1076 PolarHBondContact O-N 2.91Å; A1073-R1077 PolarHBondContact O-N 3.38Å
1074	L	93.6	Very high	91.5	Very high	95 Å²	95	60.9 Å²	60.9	50%	0.497	30%	0.302	S	S	.	.	H	α-helix	trans	-63	-41.6	175.9	-71	172.3	0	0	0	111.3	K1070 E1071 L1072 R1077 Q1078	K1070-L1074 HydrophobicContact CG-CD1 4.4Å; K1070-L1074 WeakPolarHBondContact O-CG 3.43Å; K1070-L1074 PolarHBondContact O-N 2.91Å; E1071-L1074 PolarHBondContact O-N 3.23Å; L1072-L1074 VanDerWaalsContact C-N 3.34Å; L1072-L1074 PolarHBondContact O-N 3.03Å; L1074-R1077 PolarHBondContact O-N 3Å; L1074-Q1078 PolarHBondContact O-N 2.91Å
1075	Y	98.1	Very high	91.5	Very high	45 Å²	45	61.9 Å²	61.9	18%	0.176	30%	0.304	C	S	.	.	H	α-helix	trans	-64.1	-42.6	176.3	-174.1	-108.4	0	0	0	112.5	I1061 F1066 E1071 L1072 A1073 R1077 Q1078 L1079 Y1089	I1061-Y1075 HydrophobicContact CD1-CD1 4.32Å; I1061-Y1075 HydrophobicContact CD1-CE1 3.98Å; I1061-Y1075 HydrophobicContact CG1-CE1 4.32Å; I1061-Y1075 HydrophobicContact CG2-CD1 4.5Å; F1066-Y1075 AromaticContact CE1-CD1 3.96Å; F1066-Y1075 HydrophobicContact CE1-CD1 3.96Å; F1066-Y1075 HydrophobicContact CE1-CD2 4.25Å; F1066-Y1075 AromaticContact CE1-CG 3.64Å; F1066-Y1075 HydrophobicContact CE1-CG 3.64Å; F1066-Y1075 HydrophobicContact CE2-CD1 4.44Å; F1066-Y1075 AromaticContact CZ-CD1 3.43Å; F1066-Y1075 HydrophobicContact CZ-CD1 3.43Å; F1066-Y1075 VanDerWaalsContact CZ-CD1 3.43Å; F1066-Y1075 HydrophobicContact CZ-CD2 4.43Å; F1066-Y1075 HydrophobicContact CZ-CE1 4.06Å; F1066-Y1075 AromaticContact CZ-CG 3.64Å; F1066-Y1075 HydrophobicContact CZ-CG 3.64Å; E1071-Y1075 WeakPolarHBondContact O-CB 3.3Å; E1071-Y1075 PolarHBondContact O-N 3.22Å; L1072-Y1075 WeakPolarHBondContact O-CB 3.41Å; L1072-Y1075 PolarHBondContact O-N 3.43Å; L1072-Y1075 VanDerWaalsContact O-N 3.17Å; A1073-Y1075 VanDerWaalsContact C-N 3.33Å; Y1075-R1077 VanDerWaalsContact C-N 3.32Å; Y1075-R1077 PolarHBondContact O-N 3.11Å; Y1075-Q1078 WeakPolarHBondContact O-CB 3.17Å; Y1075-Q1078 PolarHBondContact O-N 3.18Å; Y1075-L1079 HydrophobicContact CD1-CD1 4.02Å; Y1075-L1079 HydrophobicContact CD1-CG 4.46Å; Y1075-L1079 HydrophobicContact CE1-CD1 3.52Å; Y1075-L1079 HydrophobicContact CE1-CG 4.09Å; Y1075-L1079 WeakPolarHBondContact O-CG 3.39Å; Y1075-L1079 PolarHBondContact O-N 3.38Å; Y1075-Y1089 WeakPolarHBondContact CE1-OH 3.33Å; Y1075-Y1089 PolarHBondContact OH-OH 2.98Å
1076	L	98	Very high	91.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-39.6	175.7	-63.7	-176.4	0	0	0	111.9	V961 F1016 V1044 I1061 L1072 A1073 L1079 D1080	V961-L1076 HydrophobicContact CG2-CD1 3.81Å; F1016-L1076 HydrophobicContact CD1-CD2 3.66Å; F1016-L1076 HydrophobicContact CD2-CB 4.35Å; F1016-L1076 HydrophobicContact CD2-CD2 4.07Å; F1016-L1076 HydrophobicContact CE1-CD2 3.76Å; F1016-L1076 HydrophobicContact CE2-CB 4.22Å; F1016-L1076 HydrophobicContact CE2-CD2 4.15Å; F1016-L1076 HydrophobicContact CG-CD2 3.85Å; F1016-L1076 HydrophobicContact CZ-CD2 4.01Å; V1044-L1076 HydrophobicContact CG2-CD2 4.25Å; I1061-L1076 HydrophobicContact CD1-CD2 3.68Å; L1072-L1076 HydrophobicContact CD1-CD1 4.43Å; L1072-L1076 HydrophobicContact CD1-CD2 4.28Å; L1072-L1076 HydrophobicContact CD1-CG 4.15Å; L1072-L1076 HydrophobicContact CG-CD1 4.36Å; L1072-L1076 HydrophobicContact CG-CG 4.42Å; L1072-L1076 WeakPolarHBondContact O-CG 3.5Å; L1072-L1076 PolarHBondContact O-N 3.41Å; A1073-L1076 PolarHBondContact O-N 2.91Å; L1076-L1079 PolarHBondContact O-N 2.99Å; L1076-D1080 PolarHBondContact O-N 2.96Å
1077	R	95.3	Very high	91.7	Very high	117 Å²	117	58 Å²	58	44%	0.442	29%	0.285	S	S	.	.	H	α-helix	trans	-66.3	-38.7	172.8	-75	179	175.2	160.9	-1.8	112.5	L960 H984 A1073 L1074 Y1075 L1079 D1080 H1081	L960-R1077 HydrophobicContact CD2-CG 4.29Å; H984-R1077 PolarHBondContact O-NH1 3.06Å; H984-R1077 PolarHBondContact O-NH2 3.33Å; A1073-R1077 PolarHBondContact O-N 3.38Å; L1074-R1077 PolarHBondContact O-N 3Å; Y1075-R1077 VanDerWaalsContact C-N 3.32Å; Y1075-R1077 PolarHBondContact O-N 3.11Å; R1077-L1079 VanDerWaalsContact C-N 3.33Å; R1077-L1079 PolarHBondContact O-N 2.74Å; R1077-D1080 VanDerWaalsContact O-CB 3.31Å; R1077-D1080 WeakPolarHBondContact O-CB 2.78Å; R1077-D1080 PolarHBondContact O-N 3.02Å; R1077-H1081 PolarHBondContact O-N 2.88Å; R1077-H1081 PolarHBondContact O-ND1 3.01Å
1078	Q	96.2	Very high	92.5	Very high	97 Å²	97	59.9 Å²	59.9	45%	0.453	28%	0.28	S	S	.	.	H	α-helix	trans	-59.8	-47.2	175.7	-174.3	-173.8	14.1	0	0	110.5	L1074 Y1075 D1080 H1081 D1082	L1074-Q1078 PolarHBondContact O-N 2.91Å; Y1075-Q1078 WeakPolarHBondContact O-CB 3.17Å; Y1075-Q1078 PolarHBondContact O-N 3.18Å; Q1078-D1080 VanDerWaalsContact C-N 3.27Å; Q1078-D1080 PolarHBondContact O-N 3.16Å; Q1078-H1081 PolarHBondContact O-N 2.94Å; Q1078-D1082 WeakPolarHBondContact O-CB 3.25Å; Q1078-D1082 PolarHBondContact O-N 3.22Å
1079	L	95.6	Very high	93.1	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.6	-31.1	176.1	-66.6	179.8	0	0	0	112.8	F1016 I1061 Y1075 L1076 R1077 H1081 D1082 K1085 Y1086 Y1089	F1016-L1079 HydrophobicContact CE1-CD1 3.86Å; F1016-L1079 HydrophobicContact CZ-CB 3.72Å; F1016-L1079 HydrophobicContact CZ-CD1 3.83Å; F1016-L1079 HydrophobicContact CZ-CG 4.45Å; I1061-L1079 HydrophobicContact CD1-CD1 3.67Å; Y1075-L1079 HydrophobicContact CD1-CD1 4.02Å; Y1075-L1079 HydrophobicContact CD1-CG 4.46Å; Y1075-L1079 HydrophobicContact CE1-CD1 3.52Å; Y1075-L1079 HydrophobicContact CE1-CG 4.09Å; Y1075-L1079 WeakPolarHBondContact O-CG 3.39Å; Y1075-L1079 PolarHBondContact O-N 3.38Å; L1076-L1079 PolarHBondContact O-N 2.99Å; R1077-L1079 VanDerWaalsContact C-N 3.33Å; R1077-L1079 PolarHBondContact O-N 2.74Å; L1079-H1081 VanDerWaalsContact C-N 3.27Å; L1079-H1081 PolarHBondContact O-N 3.43Å; L1079-D1082 CarbonylContact O-C 3.42Å; L1079-D1082 PolarHBondContact O-N 2.98Å; L1079-K1085 HydrophobicContact CD2-CB 3.94Å; L1079-K1085 HydrophobicContact CD2-CD 3.68Å; L1079-K1085 HydrophobicContact CD2-CG 3.51Å; L1079-Y1086 WeakPolarHBondContact O-CB 3.1Å; L1079-Y1089 HydrophobicContact CD1-CD2 4.21Å; L1079-Y1089 HydrophobicContact CD1-CE2 3.55Å; L1079-Y1089 HydrophobicContact CD2-CE2 3.99Å; L1079-Y1089 HydrophobicContact CG-CE2 4.45Å
1080	D	92.9	Very high	93.3	Very high	52 Å²	52	58.9 Å²	58.9	28%	0.278	27%	0.27	S	S	.	.	H	α-helix	trans	-60.9	-37.5	175.6	-168.3	40.3	0	0	0	112.5	L960 K1015 L1076 R1077 Q1078	L960-D1080 HydrophobicContact CD1-CB 3.74Å; K1015-D1080 VanDerWaalsContact CD-OD1 3.23Å; K1015-D1080 WeakPolarHBondContact CD-OD1 2.72Å; K1015-D1080 VanDerWaalsContact CE-OD1 3.26Å; K1015-D1080 WeakPolarHBondContact CE-OD1 3.35Å; K1015-D1080 PolarHBondContact NZ-O 3.17Å; K1015-D1080 IonicContact NZ-OD1 3.72Å; K1015-D1080 PolarHBondContact NZ-OD1 2.8Å; L1076-D1080 PolarHBondContact O-N 2.96Å; R1077-D1080 VanDerWaalsContact O-CB 3.31Å; R1077-D1080 WeakPolarHBondContact O-CB 2.78Å; R1077-D1080 PolarHBondContact O-N 3.02Å; Q1078-D1080 VanDerWaalsContact C-N 3.27Å; Q1078-D1080 PolarHBondContact O-N 3.16Å
1081	H	90.7	Very high	93.4	Very high	160 Å²	160	56.8 Å²	56.8	74%	0.741	26%	0.264	S	S	*	.	H	α-helix	trans	-90.9	-19.2	179.8	-63.2	80.8	0	0	0	113.5	R1077 Q1078 L1079	R1077-H1081 PolarHBondContact O-N 2.88Å; R1077-H1081 PolarHBondContact O-ND1 3.01Å; Q1078-H1081 PolarHBondContact O-N 2.94Å; L1079-H1081 VanDerWaalsContact C-N 3.27Å; L1079-H1081 PolarHBondContact O-N 3.43Å
1082	D	92.1	Very high	93.4	Very high	59 Å²	59	53.4 Å²	53.4	32%	0.316	25%	0.248	S	C	.	.			trans	-108.3	84.1	178.5	-174.1	-17.5	0	0	0	110	Q1078 L1079 E1084 K1085 Y1086	Q1078-D1082 WeakPolarHBondContact O-CB 3.25Å; Q1078-D1082 PolarHBondContact O-N 3.22Å; L1079-D1082 CarbonylContact O-C 3.42Å; L1079-D1082 PolarHBondContact O-N 2.98Å; D1082-E1084 VanDerWaalsContact C-N 3.26Å; D1082-E1084 PolarHBondContact O-N 3.11Å; D1082-E1084 PolarHBondContact OD1-N 2.94Å; D1082-K1085 HydrophobicContact CB-CB 4.09Å; D1082-K1085 PolarHBondContact O-N 2.87Å; D1082-K1085 WeakPolarHBondContact OD1-CB 3.31Å; D1082-K1085 PolarHBondContact OD1-N 3.14Å; D1082-K1085 VanDerWaalsContact OD2-CB 3.32Å; D1082-K1085 WeakPolarHBondContact OD2-CB 3.27Å; D1082-Y1086 WeakPolarHBondContact O-CB 3.45Å; D1082-Y1086 PolarHBondContact O-N 3.23Å
1083	M	88.1	Confident	93	Very high	43 Å²	43	54.2 Å²	54.2	21%	0.212	25%	0.252	C	S	.	.	H	α-helix	trans	-59.5	-34.4	-178.8	-95.4	-57	-56	0	0	112.9	A954 L955 Y1086 L1087	A954-M1083 HydrophobicContact CB-CE 3.46Å; A954-M1083 VanDerWaalsContact CB-CE 3.46Å; A954-M1083 HydrophobicContact CB-SD 3.97Å; L955-M1083 HydrophobicContact CD2-CG 4.46Å; M1083-Y1086 HydrophobicContact CE-CD1 4.26Å; M1083-Y1086 PolarHBondContact O-N 2.89Å; M1083-Y1086 HydrophobicContact SD-CD1 4.02Å; M1083-L1087 HydrophobicContact CE-CD1 3.56Å; M1083-L1087 HydrophobicContact CE-CD2 3.89Å; M1083-L1087 HydrophobicContact CE-CG 3.58Å; M1083-L1087 WeakPolarHBondContact O-CB 3.3Å; M1083-L1087 WeakPolarHBondContact O-CG 3.38Å; M1083-L1087 PolarHBondContact O-N 3.45Å
1084	E	90	Very high	92.6	Very high	131 Å²	131	57.4 Å²	57.4	61%	0.612	27%	0.266	S	S	*	.	H	α-helix	trans	-65.3	-48.3	178.2	-167	-158.2	133.9	0	0	110.5	D1082 Y1086 L1087 K1088	D1082-E1084 VanDerWaalsContact C-N 3.26Å; D1082-E1084 PolarHBondContact O-N 3.11Å; D1082-E1084 PolarHBondContact OD1-N 2.94Å; E1084-Y1086 VanDerWaalsContact C-N 3.35Å; E1084-Y1086 PolarHBondContact O-N 2.78Å; E1084-L1087 PolarHBondContact O-N 2.91Å; E1084-K1088 PolarHBondContact O-N 3.36Å; E1084-K1088 WeakPolarHBondContact OE1-CE 3.28Å; E1084-K1088 IonicContact OE1-NZ 2.79Å; E1084-K1088 PolarHBondContact OE1-NZ 2.97Å
1085	K	91.7	Very high	92.2	Very high	60 Å²	60	55.1 Å²	55.1	26%	0.261	26%	0.258	S	S	.	.	H	α-helix	trans	-67.7	-34.6	178.3	-165.9	179.8	177.7	179.5	0	112.4	L1079 D1082	L1079-K1085 HydrophobicContact CD2-CB 3.94Å; L1079-K1085 HydrophobicContact CD2-CD 3.68Å; L1079-K1085 HydrophobicContact CD2-CG 3.51Å; D1082-K1085 HydrophobicContact CB-CB 4.09Å; D1082-K1085 PolarHBondContact O-N 2.87Å; D1082-K1085 WeakPolarHBondContact OD1-CB 3.31Å; D1082-K1085 PolarHBondContact OD1-N 3.14Å; D1082-K1085 VanDerWaalsContact OD2-CB 3.32Å; D1082-K1085 WeakPolarHBondContact OD2-CB 3.27Å
1086	Y	94.6	Very high	91.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-47.6	171.9	175.3	-105.8	0	0	0	111.9	A954 K1015 F1016 V1042 L1079 D1082 M1083 E1084 K1088 Y1089 F1090	A954-Y1086 HydrophobicContact CB-CD1 4.23Å; A954-Y1086 HydrophobicContact CB-CE1 3.76Å; K1015-Y1086 WeakPolarHBondContact CA-OH 3.36Å; K1015-Y1086 HydrophobicContact CB-CE2 3.81Å; K1015-Y1086 HydrophobicContact CD-CE2 4.35Å; K1015-Y1086 HydrophobicContact CG-CE2 4.22Å; K1015-Y1086 PolarHBondContact O-OH 3.2Å; K1015-Y1086 VanDerWaalsContact O-OH 3.07Å; F1016-Y1086 HydrophobicContact CE1-CD2 4.15Å; F1016-Y1086 HydrophobicContact CE1-CE2 4.02Å; F1016-Y1086 AromaticContact CZ-CD2 3.82Å; F1016-Y1086 HydrophobicContact CZ-CD2 3.82Å; F1016-Y1086 AromaticContact CZ-CE2 3.9Å; F1016-Y1086 HydrophobicContact CZ-CE2 3.9Å; V1042-Y1086 HydrophobicContact CG2-CD2 4.23Å; V1042-Y1086 HydrophobicContact CG2-CE2 3.59Å; L1079-Y1086 WeakPolarHBondContact O-CB 3.1Å; D1082-Y1086 WeakPolarHBondContact O-CB 3.45Å; D1082-Y1086 PolarHBondContact O-N 3.23Å; M1083-Y1086 HydrophobicContact CE-CD1 4.26Å; M1083-Y1086 PolarHBondContact O-N 2.89Å; M1083-Y1086 HydrophobicContact SD-CD1 4.02Å; E1084-Y1086 VanDerWaalsContact C-N 3.35Å; E1084-Y1086 PolarHBondContact O-N 2.78Å; Y1086-K1088 PolarHBondContact O-N 3.38Å; Y1086-Y1089 WeakPolarHBondContact O-CB 3.31Å; Y1086-Y1089 PolarHBondContact O-N 3.33Å; Y1086-Y1089 VanDerWaalsContact O-N 3.07Å; Y1086-F1090 HydrophobicContact CD1-CE2 4.25Å; Y1086-F1090 AromaticContact CE1-CE2 3.63Å; Y1086-F1090 HydrophobicContact CE1-CE2 3.63Å; Y1086-F1090 HydrophobicContact CE1-CZ 4.33Å; Y1086-F1090 HydrophobicContact CE2-CE2 4.19Å; Y1086-F1090 AromaticContact CZ-CE2 3.59Å; Y1086-F1090 AromaticContact CZ-CZ 3.95Å
1087	L	91.7	Very high	91.4	Very high	32 Å²	32	58.9 Å²	58.9	17%	0.168	28%	0.277	C	S	.	.	H	α-helix	trans	-64.9	-26.7	-177.5	-72.7	170	0	0	0	113.3	L950 I951 A954 M1083 E1084 Y1089 F1090	L950-L1087 HydrophobicContact CB-CD2 4.03Å; I951-L1087 HydrophobicContact CD1-CD1 4.4Å; I951-L1087 HydrophobicContact CG1-CD1 3.5Å; A954-L1087 HydrophobicContact CB-CD2 4.32Å; M1083-L1087 HydrophobicContact CE-CD1 3.56Å; M1083-L1087 HydrophobicContact CE-CD2 3.89Å; M1083-L1087 HydrophobicContact CE-CG 3.58Å; M1083-L1087 WeakPolarHBondContact O-CB 3.3Å; M1083-L1087 WeakPolarHBondContact O-CG 3.38Å; M1083-L1087 PolarHBondContact O-N 3.45Å; E1084-L1087 PolarHBondContact O-N 2.91Å; L1087-Y1089 PolarHBondContact O-N 3.05Å; L1087-Y1089 VanDerWaalsContact O-N 3.16Å; L1087-F1090 PolarHBondContact O-N 3.47Å
1088	K	92.4	Very high	91.2	Very high	107 Å²	107	54.5 Å²	54.5	47%	0.465	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-56.6	-27.8	172.5	-73.2	174.4	-173.9	165.3	0	112.9	E1084 Y1086 F1090 D1091	E1084-K1088 PolarHBondContact O-N 3.36Å; E1084-K1088 WeakPolarHBondContact OE1-CE 3.28Å; E1084-K1088 IonicContact OE1-NZ 2.79Å; E1084-K1088 PolarHBondContact OE1-NZ 2.97Å; Y1086-K1088 PolarHBondContact O-N 3.38Å; K1088-F1090 PolarHBondContact O-N 3.28Å; K1088-F1090 VanDerWaalsContact O-N 3.12Å; K1088-D1091 WeakPolarHBondContact O-CB 3.42Å; K1088-D1091 PolarHBondContact O-N 2.78Å
1089	Y	95.2	Very high	90.9	Very high	31 Å²	31	51.3 Å²	51.3	12%	0.122	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-67.6	-8.7	175.5	-78.3	-84	0	0	0	114.6	V1042 G1058 I1061 Y1075 L1079 Y1086 L1087 W1092	V1042-Y1089 HydrophobicContact CG1-CD1 3.81Å; V1042-Y1089 HydrophobicContact CG1-CE1 4.45Å; V1042-Y1089 HydrophobicContact CG1-CG 3.91Å; V1042-Y1089 HydrophobicContact CG2-CG 4.21Å; G1058-Y1089 VanDerWaalsContact O-CA 3.31Å; G1058-Y1089 WeakPolarHBondContact O-CA 3.41Å; G1058-Y1089 WeakPolarHBondContact O-CD1 3.43Å; I1061-Y1089 HydrophobicContact CD1-CE1 4.28Å; I1061-Y1089 HydrophobicContact CD1-CE2 4.41Å; I1061-Y1089 HydrophobicContact CG1-CD1 4.3Å; I1061-Y1089 HydrophobicContact CG1-CE1 3.53Å; I1061-Y1089 HydrophobicContact CG1-CE2 4.45Å; Y1075-Y1089 WeakPolarHBondContact CE1-OH 3.33Å; Y1075-Y1089 PolarHBondContact OH-OH 2.98Å; L1079-Y1089 HydrophobicContact CD1-CD2 4.21Å; L1079-Y1089 HydrophobicContact CD1-CE2 3.55Å; L1079-Y1089 HydrophobicContact CD2-CE2 3.99Å; L1079-Y1089 HydrophobicContact CG-CE2 4.45Å; Y1086-Y1089 WeakPolarHBondContact O-CB 3.31Å; Y1086-Y1089 PolarHBondContact O-N 3.33Å; Y1086-Y1089 VanDerWaalsContact O-N 3.07Å; L1087-Y1089 PolarHBondContact O-N 3.05Å; L1087-Y1089 VanDerWaalsContact O-N 3.16Å; Y1089-W1092 PolarHBondContact O-NE1 3.37Å; Y1089-W1092 VanDerWaalsContact O-NE1 3.11Å
1090	F	92.4	Very high	90.3	Very high	5 Å²	5	53.9 Å²	53.9	2%	0.022	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-106.1	-4.6	177	-61.1	-82.4	0	0	0	113.2	W946 L950 N1040 V1042 Y1086 L1087 K1088 W1092 M1093	W946-F1090 HydrophobicContact CH2-CB 3.91Å; W946-F1090 WeakPolarHBondContact CH2-O 3.36Å; W946-F1090 HydrophobicContact CZ2-CB 4.28Å; L950-F1090 HydrophobicContact CD1-CB 3.47Å; L950-F1090 VanDerWaalsContact CD1-CB 3.47Å; L950-F1090 HydrophobicContact CD1-CD2 4.46Å; L950-F1090 HydrophobicContact CD1-CG 3.94Å; N1040-F1090 HydrophobicContact CB-CE1 4.45Å; V1042-F1090 HydrophobicContact CG2-CE1 4.39Å; V1042-F1090 HydrophobicContact CG2-CE2 3.67Å; V1042-F1090 HydrophobicContact CG2-CZ 3.56Å; Y1086-F1090 HydrophobicContact CD1-CE2 4.25Å; Y1086-F1090 AromaticContact CE1-CE2 3.63Å; Y1086-F1090 HydrophobicContact CE1-CE2 3.63Å; Y1086-F1090 HydrophobicContact CE1-CZ 4.33Å; Y1086-F1090 HydrophobicContact CE2-CE2 4.19Å; Y1086-F1090 AromaticContact CZ-CE2 3.59Å; Y1086-F1090 AromaticContact CZ-CZ 3.95Å; L1087-F1090 PolarHBondContact O-N 3.47Å; K1088-F1090 PolarHBondContact O-N 3.28Å; K1088-F1090 VanDerWaalsContact O-N 3.12Å; F1090-W1092 PolarHBondContact O-N 3.46Å; F1090-M1093 HydrophobicContact CB-SD 4.47Å; F1090-M1093 HydrophobicContact CD1-CE 3.89Å; F1090-M1093 HydrophobicContact CD1-SD 3.96Å; F1090-M1093 HydrophobicContact CE1-CE 4.37Å; F1090-M1093 VanDerWaalsContact O-CB 3.3Å; F1090-M1093 WeakPolarHBondContact O-CB 3.37Å; F1090-M1093 PolarHBondContact O-N 3.21Å
1091	D	89.2	Confident	90	Very high	68 Å²	68	54 Å²	54	36%	0.364	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-54	-30.9	-178.1	-81	-29.7	0	0	0	113.2	K1088 M1093 K1094	K1088-D1091 WeakPolarHBondContact O-CB 3.42Å; K1088-D1091 PolarHBondContact O-N 2.78Å; D1091-M1093 PolarHBondContact O-N 3.09Å; D1091-K1094 VanDerWaalsContact O-CB 3.29Å; D1091-K1094 WeakPolarHBondContact O-CB 3.4Å; D1091-K1094 WeakPolarHBondContact O-CG 3.02Å; D1091-K1094 PolarHBondContact O-N 3.1Å; D1091-K1094 VanDerWaalsContact O-N 3.1Å; D1091-K1094 WeakPolarHBondContact OD1-CE 3.31Å; D1091-K1094 IonicContact OD1-NZ 2.68Å; D1091-K1094 PolarHBondContact OD1-NZ 2.93Å
1092	W	91.2	Very high	89.8	Confident	19 Å²	19	53.5 Å²	53.5	7%	0.072	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-57.5	-31.7	176.5	69.1	-87.1	0	0	0	113.6	V934 L1037 P1056 Y1089 F1090 K1094 S1095 H1096 V1098	V934-W1092 HydrophobicContact CG1-CE3 4.08Å; V934-W1092 HydrophobicContact CG1-CZ3 3.93Å; L1037-W1092 HydrophobicContact CB-CH2 3.94Å; L1037-W1092 HydrophobicContact CB-CZ2 3.96Å; L1037-W1092 HydrophobicContact CD2-CH2 4.2Å; L1037-W1092 HydrophobicContact CD2-CZ2 3.52Å; L1037-W1092 HydrophobicContact CG-CH2 4.48Å; L1037-W1092 HydrophobicContact CG-CZ2 4.23Å; P1056-W1092 HydrophobicContact CB-CB 3.62Å; P1056-W1092 HydrophobicContact CB-CG 4.35Å; P1056-W1092 HydrophobicContact CG-CB 3.92Å; P1056-W1092 HydrophobicContact CG-CD2 4.38Å; P1056-W1092 HydrophobicContact CG-CE3 4.08Å; P1056-W1092 HydrophobicContact CG-CG 4.34Å; Y1089-W1092 PolarHBondContact O-NE1 3.37Å; Y1089-W1092 VanDerWaalsContact O-NE1 3.11Å; F1090-W1092 PolarHBondContact O-N 3.46Å; W1092-K1094 PolarHBondContact O-N 3.08Å; W1092-S1095 PolarHBondContact O-N 2.79Å; W1092-H1096 HydrophobicContact CE3-CB 3.84Å; W1092-H1096 HydrophobicContact CZ3-CB 4.27Å; W1092-H1096 WeakPolarHBondContact O-CB 3.08Å; W1092-H1096 PolarHBondContact O-N 2.03Å; W1092-H1096 PolarHBondContact O-ND1 2.76Å; W1092-H1096 VanDerWaalsContact O-ND1 3.15Å; W1092-V1098 HydrophobicContact CH2-CG2 3.98Å; W1092-V1098 HydrophobicContact CZ3-CG2 4.44Å
1093	M	89	Confident	89.7	Confident	16 Å²	16	52.9 Å²	52.9	8%	0.079	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-68.2	-17.4	180	-67.1	-174.5	168	0	0	112.9	W946 L1037 F1090 D1091 S1095 H1096	W946-M1093 HydrophobicContact CH2-CB 4.01Å; W946-M1093 HydrophobicContact CZ2-CB 3.35Å; W946-M1093 HydrophobicContact CZ2-CG 4.1Å; W946-M1093 HydrophobicContact CZ2-SD 3.81Å; L1037-M1093 VanDerWaalsContact O-CE 3.24Å; L1037-M1093 WeakPolarHBondContact O-CE 3.29Å; F1090-M1093 HydrophobicContact CB-SD 4.47Å; F1090-M1093 HydrophobicContact CD1-CE 3.89Å; F1090-M1093 HydrophobicContact CD1-SD 3.96Å; F1090-M1093 HydrophobicContact CE1-CE 4.37Å; F1090-M1093 VanDerWaalsContact O-CB 3.3Å; F1090-M1093 WeakPolarHBondContact O-CB 3.37Å; F1090-M1093 PolarHBondContact O-N 3.21Å; D1091-M1093 PolarHBondContact O-N 3.09Å; M1093-S1095 PolarHBondContact O-N 2.82Å; M1093-H1096 WeakPolarHBondContact CA-O 3.48Å
1094	K	86.4	Confident	89.7	Confident	69 Å²	69	51.3 Å²	51.3	30%	0.3	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-62.1	-25.2	174	-65.8	171.3	175.5	165.3	0	112.1	W946 D1091 W1092	W946-K1094 HydrophobicContact CE3-CG 4.2Å; W946-K1094 HydrophobicContact CH2-CG 4.24Å; W946-K1094 HydrophobicContact CZ3-CD 4.42Å; W946-K1094 HydrophobicContact CZ3-CG 3.79Å; D1091-K1094 VanDerWaalsContact O-CB 3.29Å; D1091-K1094 WeakPolarHBondContact O-CB 3.4Å; D1091-K1094 WeakPolarHBondContact O-CG 3.02Å; D1091-K1094 PolarHBondContact O-N 3.1Å; D1091-K1094 VanDerWaalsContact O-N 3.1Å; D1091-K1094 WeakPolarHBondContact OD1-CE 3.31Å; D1091-K1094 IonicContact OD1-NZ 2.68Å; D1091-K1094 PolarHBondContact OD1-NZ 2.93Å; W1092-K1094 PolarHBondContact O-N 3.08Å
1095	S	85.5	Confident	89.8	Confident	47 Å²	47	46.1 Å²	46.1	33%	0.329	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.6	-0.9	-175.4	71.2	0	0	0	0	114.6	K936 M937 W1092 M1093	K936-S1095 CarbonylContact C-O 3.59Å; K936-S1095 WeakPolarHBondContact CA-O 3.23Å; K936-S1095 VanDerWaalsContact CG-O 3.3Å; K936-S1095 WeakPolarHBondContact CG-O 3.25Å; M937-S1095 PolarHBondContact N-O 3.35Å; W1092-S1095 PolarHBondContact O-N 2.79Å; M1093-S1095 PolarHBondContact O-N 2.82Å
1096	H	91	Very high	89.9	Confident	51 Å²	51	43.3 Å²	43.3	24%	0.236	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	152.9	-176.5	-60	87.4	0	0	0	111.7	V934 K935 P1056 W1092 M1093	V934-H1096 HydrophobicContact CG1-CB 3.68Å; K935-H1096 CarbonylContact O-C 3.49Å; K935-H1096 WeakPolarHBondContact O-CA 3.32Å; K935-H1096 WeakPolarHBondContact O-CB 2.98Å; P1056-H1096 HydrophobicContact CG-CB 4.46Å; W1092-H1096 HydrophobicContact CE3-CB 3.84Å; W1092-H1096 HydrophobicContact CZ3-CB 4.27Å; W1092-H1096 WeakPolarHBondContact O-CB 3.08Å; W1092-H1096 PolarHBondContact O-N 2.03Å; W1092-H1096 PolarHBondContact O-ND1 2.76Å; W1092-H1096 VanDerWaalsContact O-ND1 3.15Å; M1093-H1096 WeakPolarHBondContact CA-O 3.48Å
1097	E	89.2	Confident	89.9	Confident	73 Å²	73	46.8 Å²	46.8	34%	0.341	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156.8	176.1	63.5	-179.5	167.2	0	0	111	V934 K935 M937	V934-E1097 WeakPolarHBondContact CA-O 3.4Å; K935-E1097 HydrophobicContact CD-CG 4.39Å; K935-E1097 WeakPolarHBondContact CE-OE1 3.41Å; K935-E1097 HydrophobicContact CG-CG 3.9Å; K935-E1097 PolarHBondContact N-O 2.87Å; K935-E1097 IonicContact NZ-OE1 2.77Å; K935-E1097 PolarHBondContact NZ-OE1 2.96Å; K935-E1097 PolarHBondContact O-N 3.09Å; M937-E1097 HydrophobicContact CG-CB 3.92Å; M937-E1097 HydrophobicContact CG-CG 3.71Å; M937-E1097 HydrophobicContact SD-CB 4.09Å; M937-E1097 HydrophobicContact SD-CG 4.47Å
1098	V	90.6	Very high	90.1	Very high	24 Å²	24	45.5 Å²	45.5	15%	0.145	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.4	176.6	-173.8	0	0	0	0	109.3	V934 F1034 L1037 Q1038 W1092	V934-V1098 HydrophobicContact CG2-CG2 4.46Å; F1034-V1098 HydrophobicContact CB-CG1 4.05Å; L1037-V1098 HydrophobicContact CB-CG2 3.59Å; L1037-V1098 HydrophobicContact CD1-CG2 4.4Å; Q1038-V1098 HydrophobicContact CG-CB 3.77Å; Q1038-V1098 HydrophobicContact CG-CG1 3.83Å; Q1038-V1098 HydrophobicContact CG-CG2 4.08Å; W1092-V1098 HydrophobicContact CH2-CG2 3.98Å; W1092-V1098 HydrophobicContact CZ3-CG2 4.44Å
1099	M	88.6	Confident	90.2	Very high	31 Å²	31	40.4 Å²	40.4	15%	0.153	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-75.1	144.4	177	-169.9	176.8	-72.3	0	0	111.9	W933 K935 D1103 M1104 L1107	W933-M1099 PolarHBondContact O-N 2.94Å; K935-M1099 HydrophobicContact CB-CE 4.43Å; K935-M1099 HydrophobicContact CD-CE 3.74Å; K935-M1099 HydrophobicContact CG-CE 4.32Å; M1099-D1103 HydrophobicContact CG-CB 4.06Å; M1099-D1103 HydrophobicContact SD-CB 4.44Å; M1099-M1104 HydrophobicContact CB-CE 4.43Å; M1099-M1104 HydrophobicContact CB-CG 4.24Å; M1099-M1104 HydrophobicContact CB-SD 4.34Å; M1099-M1104 HydrophobicContact CG-CG 3.89Å; M1099-M1104 WeakPolarHBondContact O-CE 3.38Å; M1099-M1104 HydrophobicContact SD-CG 3.42Å; M1099-M1104 WeakPolarHBondContact SD-CG 2.99Å; M1099-L1107 HydrophobicContact CE-CD1 4.16Å; M1099-L1107 HydrophobicContact SD-CD1 3.72Å
1100	D	84.6	Confident	90.2	Very high	53 Å²	53	39.6 Å²	39.6	28%	0.283	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-63.3	137.5	175.2	-177	-113.8	0	0	0	111.3	R850 R1102 D1103 M1104	R850-D1100 IonicContact CZ-OD1 2.73Å; R850-D1100 IonicContact NH2-OD1 3.88Å; R850-D1100 PolarHBondContact NH2-OD1 2.79Å; D1100-R1102 VanDerWaalsContact C-N 3.26Å; D1100-R1102 PolarHBondContact O-N 2.79Å; D1100-R1102 VanDerWaalsContact OD1-CB 3.28Å; D1100-R1102 WeakPolarHBondContact OD1-CB 3.34Å; D1100-R1102 IonicContact OD1-CZ 3.27Å; D1100-R1102 PolarHBondContact OD1-N 2.72Å; D1100-R1102 IonicContact OD1-NE 3.9Å; D1100-R1102 PolarHBondContact OD1-NE 2.82Å; D1100-R1102 VanDerWaalsContact OD1-NE 3.09Å; D1100-R1102 IonicContact OD1-NH2 3.07Å; D1100-R1102 IonicContact OD2-NE 2.84Å; D1100-R1102 IonicContact OD2-NH2 3.35Å; D1100-D1103 HydrophobicContact CB-CB 4.19Å; D1100-D1103 WeakPolarHBondContact O-CB 3.26Å; D1100-D1103 PolarHBondContact O-N 2.82Å; D1100-M1104 WeakPolarHBondContact O-CE 3.36Å; D1100-M1104 PolarHBondContact O-N 3.03Å; D1100-M1104 VanDerWaalsContact O-N 3.13Å
1101	E	85.5	Confident	90.4	Very high	55 Å²	55	46.1 Å²	46.1	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-57.9	-39.6	-178.1	-172.2	179.4	174.9	0	0	112.3	K899 D1103 M1104 Q1105	K899-E1101 IonicContact NZ-OE1 3.61Å; K899-E1101 PolarHBondContact NZ-OE1 3.48Å; E1101-D1103 VanDerWaalsContact C-N 3.3Å; E1101-D1103 PolarHBondContact O-N 3.26Å; E1101-M1104 VanDerWaalsContact CA-CE 3.47Å; E1101-M1104 HydrophobicContact CB-CE 4.38Å; E1101-M1104 PolarHBondContact O-N 3.44Å; E1101-Q1105 WeakPolarHBondContact O-CG 3.36Å; E1101-Q1105 PolarHBondContact O-N 3.34Å; E1101-Q1105 PolarHBondContact OE1-NE2 2.67Å
1102	R	87.5	Confident	90.7	Very high	150 Å²	150	42.9 Å²	42.9	57%	0.566	20%	0.201	S	C	*	.	H	α-helix	trans	-70.1	-30.2	180	-56.1	169.1	-70.3	-178	-7.1	111.3	R850 D1100 S1106	R850-R1102 VanDerWaalsContact CZ-CB 3.49Å; R850-R1102 VanDerWaalsContact NH2-CB 3.3Å; D1100-R1102 VanDerWaalsContact C-N 3.26Å; D1100-R1102 PolarHBondContact O-N 2.79Å; D1100-R1102 VanDerWaalsContact OD1-CB 3.28Å; D1100-R1102 WeakPolarHBondContact OD1-CB 3.34Å; D1100-R1102 IonicContact OD1-CZ 3.27Å; D1100-R1102 PolarHBondContact OD1-N 2.72Å; D1100-R1102 IonicContact OD1-NE 3.9Å; D1100-R1102 PolarHBondContact OD1-NE 2.82Å; D1100-R1102 VanDerWaalsContact OD1-NE 3.09Å; D1100-R1102 IonicContact OD1-NH2 3.07Å; D1100-R1102 IonicContact OD2-NE 2.84Å; D1100-R1102 IonicContact OD2-NH2 3.35Å; R1102-S1106 VanDerWaalsContact O-CB 3.31Å; R1102-S1106 WeakPolarHBondContact O-CB 3.23Å; R1102-S1106 PolarHBondContact O-N 3.24Å
1103	D	89.7	Confident	90.9	Very high	45 Å²	45	42 Å²	42	24%	0.241	20%	0.197	C	C	.	.	H	α-helix	trans	-66.6	-44.1	173.1	-79.1	-20.8	0	0	0	111.1	R850 M851 M1099 D1100 E1101 Q1105 S1106 L1107	R850-D1103 IonicContact CZ-OD1 3.79Å; R850-D1103 VanDerWaalsContact CZ-OD1 3.24Å; R850-D1103 IonicContact NE-OD1 3.45Å; R850-D1103 PolarHBondContact NE-OD1 2.64Å; R850-D1103 VanDerWaalsContact NH2-N 3.17Å; R850-D1103 IonicContact NH2-OD1 3.33Å; R850-D1103 PolarHBondContact NH2-OD1 3.06Å; R850-D1103 IonicContact NH2-OD2 2.71Å; M851-D1103 HydrophobicContact CE-CB 4.37Å; M851-D1103 VanDerWaalsContact SD-CA 3.51Å; M851-D1103 HydrophobicContact SD-CB 3.38Å; M851-D1103 WeakPolarHBondContact SD-CB 3.47Å; M851-D1103 VanDerWaalsContact SD-CG 3.57Å; M1099-D1103 HydrophobicContact CG-CB 4.06Å; M1099-D1103 HydrophobicContact SD-CB 4.44Å; D1100-D1103 HydrophobicContact CB-CB 4.19Å; D1100-D1103 WeakPolarHBondContact O-CB 3.26Å; D1100-D1103 PolarHBondContact O-N 2.82Å; E1101-D1103 VanDerWaalsContact C-N 3.3Å; E1101-D1103 PolarHBondContact O-N 3.26Å; D1103-Q1105 PolarHBondContact O-N 3.18Å; D1103-S1106 CarbonylContact O-C 3.55Å; D1103-S1106 WeakPolarHBondContact O-CA 2.92Å; D1103-S1106 WeakPolarHBondContact O-CB 3.32Å; D1103-S1106 PolarHBondContact O-N 3.45Å; D1103-S1106 VanDerWaalsContact O-N 3.1Å; D1103-L1107 WeakPolarHBondContact O-CG 2.89Å; D1103-L1107 PolarHBondContact O-N 3.39Å
1104	M	88.7	Confident	91	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.049	22%	0.221	C	C	.	.	H	α-helix	trans	-64.8	-41.7	176.4	-74.1	174.9	-72.3	0	0	113.3	P930 G932 W933 M1099 D1100 E1101 S1106 L1107 A1108	P930-M1104 HydrophobicContact CG-SD 4.39Å; G932-M1104 WeakPolarHBondContact CA-SD 3.2Å; W933-M1104 HydrophobicContact CB-CG 4.39Å; W933-M1104 HydrophobicContact CB-SD 3.5Å; W933-M1104 VanDerWaalsContact CB-SD 3.5Å; W933-M1104 PolarHBondContact N-SD 2.76Å; M1099-M1104 HydrophobicContact CB-CE 4.43Å; M1099-M1104 HydrophobicContact CB-CG 4.24Å; M1099-M1104 HydrophobicContact CB-SD 4.34Å; M1099-M1104 HydrophobicContact CG-CG 3.89Å; M1099-M1104 WeakPolarHBondContact O-CE 3.38Å; M1099-M1104 HydrophobicContact SD-CG 3.42Å; M1099-M1104 WeakPolarHBondContact SD-CG 2.99Å; D1100-M1104 WeakPolarHBondContact O-CE 3.36Å; D1100-M1104 PolarHBondContact O-N 3.03Å; D1100-M1104 VanDerWaalsContact O-N 3.13Å; E1101-M1104 VanDerWaalsContact CA-CE 3.47Å; E1101-M1104 HydrophobicContact CB-CE 4.38Å; E1101-M1104 PolarHBondContact O-N 3.44Å; M1104-S1106 PolarHBondContact O-N 2.98Å; M1104-L1107 PolarHBondContact O-N 3.16Å; M1104-A1108 PolarHBondContact O-N 3.43Å
1105	Q	92	Very high	91.3	Very high	23 Å²	23	46.6 Å²	46.6	11%	0.107	22%	0.221	C	C	.	.	H	α-helix	trans	-58.7	-43.3	171.8	-69.1	-180	19.8	0	0	110	M929 E1101 D1103 L1107 A1108 F1109	M929-Q1105 HydrophobicContact CE-CG 4.35Å; E1101-Q1105 WeakPolarHBondContact O-CG 3.36Å; E1101-Q1105 PolarHBondContact O-N 3.34Å; E1101-Q1105 PolarHBondContact OE1-NE2 2.67Å; D1103-Q1105 PolarHBondContact O-N 3.18Å; Q1105-L1107 PolarHBondContact O-N 3.4Å; Q1105-A1108 WeakPolarHBondContact O-CB 3.36Å; Q1105-A1108 PolarHBondContact O-N 2.9Å; Q1105-F1109 WeakPolarHBondContact O-CD2 3.42Å; Q1105-F1109 PolarHBondContact O-N 2.66Å
1106	S	94.1	Very high	91.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-61	-47.8	177.8	-169	0	0	0	0	112	Q848 R850 M851 R1102 D1103 M1104 A1108 F1109 C1110	Q848-S1106 WeakPolarHBondContact O-CA 3.27Å; Q848-S1106 VanDerWaalsContact O-CB 3.24Å; Q848-S1106 WeakPolarHBondContact O-CB 3.4Å; Q848-S1106 PolarHBondContact O-OG 3.29Å; R850-S1106 PolarHBondContact N-OG 3.44Å; M851-S1106 WeakPolarHBondContact CB-OG 3.46Å; M851-S1106 PolarHBondContact N-OG 3.06Å; R1102-S1106 VanDerWaalsContact O-CB 3.31Å; R1102-S1106 WeakPolarHBondContact O-CB 3.23Å; R1102-S1106 PolarHBondContact O-N 3.24Å; D1103-S1106 CarbonylContact O-C 3.55Å; D1103-S1106 WeakPolarHBondContact O-CA 2.92Å; D1103-S1106 WeakPolarHBondContact O-CB 3.32Å; D1103-S1106 PolarHBondContact O-N 3.45Å; D1103-S1106 VanDerWaalsContact O-N 3.1Å; M1104-S1106 PolarHBondContact O-N 2.98Å; S1106-A1108 VanDerWaalsContact C-N 3.29Å; S1106-A1108 PolarHBondContact O-N 3.3Å; S1106-F1109 PolarHBondContact O-N 2.79Å; S1106-F1109 VanDerWaalsContact O-N 3.15Å; S1106-C1110 WeakPolarHBondContact O-CB 3.37Å; S1106-C1110 PolarHBondContact O-N 3.39Å; S1106-C1110 PolarHBondContact O-SG 3.25Å
1107	L	93.1	Very high	91.3	Very high	74 Å²	74	45.6 Å²	45.6	39%	0.387	21%	0.212	S	C	.	.	H	α-helix	trans	-58.7	-37.5	175.6	-68.8	174.8	0	0	0	112.9	M851 M1099 D1103 M1104 Q1105 C1110 R1111	M851-L1107 HydrophobicContact CB-CD2 4.32Å; M851-L1107 HydrophobicContact CE-CD1 4.39Å; M851-L1107 HydrophobicContact CE-CD2 3.94Å; M851-L1107 HydrophobicContact CE-CG 4.18Å; M851-L1107 HydrophobicContact SD-CD1 4.21Å; M851-L1107 HydrophobicContact SD-CD2 3.85Å; M851-L1107 HydrophobicContact SD-CG 3.62Å; M1099-L1107 HydrophobicContact CE-CD1 4.16Å; M1099-L1107 HydrophobicContact SD-CD1 3.72Å; D1103-L1107 WeakPolarHBondContact O-CG 2.89Å; D1103-L1107 PolarHBondContact O-N 3.39Å; M1104-L1107 PolarHBondContact O-N 3.16Å; Q1105-L1107 PolarHBondContact O-N 3.4Å; L1107-C1110 PolarHBondContact O-N 3.28Å; L1107-R1111 WeakPolarHBondContact O-CB 3.23Å; L1107-R1111 PolarHBondContact O-N 3.42Å
1108	A	95.5	Very high	91.1	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.033	23%	0.226	C	C	.	.	H	α-helix	trans	-65.6	-44.8	175.3	0	0	0	0	0	111.7	I927 M929 M1104 Q1105 S1106 R1111 L1112	I927-A1108 HydrophobicContact CG2-CB 4.15Å; I927-A1108 VanDerWaalsContact CG2-O 3.26Å; I927-A1108 WeakPolarHBondContact CG2-O 3.32Å; M929-A1108 HydrophobicContact CB-CB 3.78Å; M929-A1108 HydrophobicContact CG-CB 3.66Å; M929-A1108 HydrophobicContact SD-CB 3.98Å; M1104-A1108 PolarHBondContact O-N 3.43Å; Q1105-A1108 WeakPolarHBondContact O-CB 3.36Å; Q1105-A1108 PolarHBondContact O-N 2.9Å; S1106-A1108 VanDerWaalsContact C-N 3.29Å; S1106-A1108 PolarHBondContact O-N 3.3Å; A1108-R1111 WeakPolarHBondContact O-CB 2.77Å; A1108-R1111 PolarHBondContact O-N 3.22Å; A1108-L1112 WeakPolarHBondContact O-CB 3.02Å; A1108-L1112 PolarHBondContact O-N 3.17Å
1109	F	96.1	Very high	90.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-39.3	174.1	-85.1	-76.8	0	0	0	112.3	F844 Q848 F849 L859 M919 Q1105 S1106 R1111 L1112 C1113	F844-F1109 HydrophobicContact CB-CZ 4.25Å; F844-F1109 AromaticContact CD1-CE2 3.92Å; F844-F1109 HydrophobicContact CD1-CE2 3.92Å; F844-F1109 HydrophobicContact CD1-CZ 4.09Å; F844-F1109 HydrophobicContact CD2-CE2 4.46Å; F844-F1109 AromaticContact CD2-CZ 3.89Å; F844-F1109 HydrophobicContact CD2-CZ 3.89Å; F844-F1109 HydrophobicContact CE1-CE2 4.07Å; F844-F1109 HydrophobicContact CE1-CZ 4.43Å; F844-F1109 HydrophobicContact CE2-CZ 4.22Å; F844-F1109 HydrophobicContact CG-CE2 4.13Å; F844-F1109 AromaticContact CG-CZ 3.81Å; F844-F1109 HydrophobicContact CG-CZ 3.81Å; F844-F1109 HydrophobicContact CZ-CE2 4.39Å; F844-F1109 HydrophobicContact CZ-CZ 4.48Å; Q848-F1109 HydrophobicContact CB-CB 4.25Å; Q848-F1109 HydrophobicContact CB-CD2 3.65Å; Q848-F1109 HydrophobicContact CB-CE2 4.11Å; Q848-F1109 HydrophobicContact CB-CG 3.92Å; Q848-F1109 HydrophobicContact CG-CD2 3.93Å; Q848-F1109 HydrophobicContact CG-CE2 3.91Å; F849-F1109 HydrophobicContact CD1-CB 4.13Å; F849-F1109 HydrophobicContact CE1-CB 3.82Å; F849-F1109 WeakPolarHBondContact CE1-O 3.43Å; F849-F1109 HydrophobicContact CZ-CD1 4.46Å; L859-F1109 HydrophobicContact CD1-CD1 4.3Å; L859-F1109 HydrophobicContact CD1-CE1 3.9Å; L859-F1109 HydrophobicContact CD1-CZ 4.29Å; L859-F1109 HydrophobicContact CD2-CD1 4.09Å; L859-F1109 HydrophobicContact CD2-CE1 3.94Å; M919-F1109 HydrophobicContact CE-CE1 4.48Å; M919-F1109 HydrophobicContact CE-CZ 4.28Å; Q1105-F1109 WeakPolarHBondContact O-CD2 3.42Å; Q1105-F1109 PolarHBondContact O-N 2.66Å; S1106-F1109 PolarHBondContact O-N 2.79Å; S1106-F1109 VanDerWaalsContact O-N 3.15Å; F1109-R1111 VanDerWaalsContact C-N 3.34Å; F1109-R1111 PolarHBondContact O-N 3.09Å; F1109-L1112 HydrophobicContact CD1-CD2 4.4Å; F1109-L1112 WeakPolarHBondContact O-CB 3.47Å; F1109-L1112 PolarHBondContact O-N 2.94Å; F1109-C1113 PolarHBondContact O-N 3.44Å
1110	C	95.5	Very high	89.8	Confident	15 Å²	15	50.2 Å²	50.2	10%	0.101	25%	0.246	C	C	.	.	H	α-helix	trans	-59.5	-45.1	172.4	-63.1	0	0	0	0	111.5	C852 S1106 L1107 C1113 K1114	C852-C1110 HydrophobicContact CB-CB 3.76Å; C852-C1110 WeakPolarHBondContact CB-SG 3.39Å; C852-C1110 WeakPolarHBondContact SG-CA 3.29Å; C852-C1110 WeakPolarHBondContact SG-CB 3.33Å; C852-C1110 CovalentContact SG-SG 2Å; C852-C1110 PolarHBondContact SG-SG 2.02Å; S1106-C1110 WeakPolarHBondContact O-CB 3.37Å; S1106-C1110 PolarHBondContact O-N 3.39Å; S1106-C1110 PolarHBondContact O-SG 3.25Å; L1107-C1110 PolarHBondContact O-N 3.28Å; C1110-C1113 PolarHBondContact O-N 3.21Å; C1110-K1114 WeakPolarHBondContact O-CB 3.45Å; C1110-K1114 PolarHBondContact O-N 2.9Å
1111	R	95.3	Very high	88.6	Confident	142 Å²	142	55.7 Å²	55.7	54%	0.536	27%	0.274	S	S	.	.	H	α-helix	trans	-62.9	-43.9	175.4	-176.4	-179.3	179.7	112	-0.2	111	D926 I927 L1107 A1108 F1109 C1113 K1114 V1115	D926-R1111 PolarHBondContact O-NE 2.82Å; I927-R1111 HydrophobicContact CD1-CG 4.13Å; L1107-R1111 WeakPolarHBondContact O-CB 3.23Å; L1107-R1111 PolarHBondContact O-N 3.42Å; A1108-R1111 WeakPolarHBondContact O-CB 2.77Å; A1108-R1111 PolarHBondContact O-N 3.22Å; F1109-R1111 VanDerWaalsContact C-N 3.34Å; F1109-R1111 PolarHBondContact O-N 3.09Å; R1111-C1113 VanDerWaalsContact C-N 3.34Å; R1111-C1113 PolarHBondContact O-N 3.09Å; R1111-K1114 PolarHBondContact O-N 2.51Å; R1111-V1115 WeakPolarHBondContact O-CG2 3.37Å; R1111-V1115 PolarHBondContact O-N 2.97Å
1112	L	96.5	Very high	87.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.9	-49.9	174.2	171.5	58.2	0	0	0	110.6	I833 I895 M919 I927 A1108 F1109 K1114 V1115 L1116	I833-L1112 HydrophobicContact CD1-CD2 3.98Å; I833-L1112 HydrophobicContact CD1-CG 4.14Å; I833-L1112 HydrophobicContact CG2-CD2 4.41Å; I895-L1112 HydrophobicContact CD1-CD1 3.44Å; I895-L1112 VanDerWaalsContact CD1-CD1 3.44Å; I895-L1112 HydrophobicContact CD1-CD2 3.96Å; I895-L1112 HydrophobicContact CD1-CG 4.32Å; I895-L1112 HydrophobicContact CG1-CD1 4.49Å; M919-L1112 HydrophobicContact SD-CD2 4.18Å; I927-L1112 HydrophobicContact CD1-CB 4.12Å; I927-L1112 HydrophobicContact CD1-CD1 4.3Å; I927-L1112 HydrophobicContact CG1-CB 4.16Å; I927-L1112 HydrophobicContact CG1-CD1 4.12Å; I927-L1112 HydrophobicContact CG2-CB 4.24Å; A1108-L1112 WeakPolarHBondContact O-CB 3.02Å; A1108-L1112 PolarHBondContact O-N 3.17Å; F1109-L1112 HydrophobicContact CD1-CD2 4.4Å; F1109-L1112 WeakPolarHBondContact O-CB 3.47Å; F1109-L1112 PolarHBondContact O-N 2.94Å; L1112-K1114 VanDerWaalsContact C-N 3.33Å; L1112-K1114 PolarHBondContact O-N 3.38Å; L1112-V1115 WeakPolarHBondContact O-CB 3.26Å; L1112-V1115 PolarHBondContact O-N 3.44Å; L1112-V1115 VanDerWaalsContact O-N 3.16Å; L1112-L1116 HydrophobicContact CD1-CD1 4.09Å; L1112-L1116 HydrophobicContact CD1-CD2 4.41Å; L1112-L1116 HydrophobicContact CD1-CG 4.02Å; L1112-L1116 HydrophobicContact CG-CD1 4.25Å; L1112-L1116 WeakPolarHBondContact O-CG 2.85Å; L1112-L1116 PolarHBondContact O-N 2.63Å
1113	C	94.8	Very high	86.5	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-56.8	-48.3	177.2	-173	0	0	0	0	111.4	F849 V855 C857 F1109 C1110 R1111 V1115 L1116 M1117	F849-C1113 HydrophobicContact CE1-CB 4.11Å; V855-C1113 HydrophobicContact CB-CB 4.24Å; V855-C1113 VanDerWaalsContact CB-SG 3.59Å; V855-C1113 HydrophobicContact CG2-CB 4.03Å; C857-C1113 HydrophobicContact CB-CB 3.69Å; C857-C1113 WeakPolarHBondContact CB-SG 2.97Å; C857-C1113 WeakPolarHBondContact SG-CA 3.37Å; C857-C1113 WeakPolarHBondContact SG-CB 3.44Å; C857-C1113 CovalentContact SG-SG 2.01Å; C857-C1113 PolarHBondContact SG-SG 3.33Å; F1109-C1113 PolarHBondContact O-N 3.44Å; C1110-C1113 PolarHBondContact O-N 3.21Å; R1111-C1113 VanDerWaalsContact C-N 3.34Å; R1111-C1113 PolarHBondContact O-N 3.09Å; C1113-V1115 VanDerWaalsContact C-N 3.32Å; C1113-V1115 PolarHBondContact O-N 3.37Å; C1113-L1116 CarbonylContact O-C 3.53Å; C1113-L1116 WeakPolarHBondContact O-CA 3.19Å; C1113-L1116 WeakPolarHBondContact O-CB 3.12Å; C1113-L1116 PolarHBondContact O-N 3.41Å; C1113-M1117 VanDerWaalsContact O-CG 3.24Å; C1113-M1117 WeakPolarHBondContact O-CG 3.27Å; C1113-M1117 PolarHBondContact O-N 3.32Å
1114	K	91.5	Very high	86.1	Confident	134 Å²	134	49.5 Å²	49.5	58%	0.583	27%	0.268	S	S	*	.	H	α-helix	trans	-59.4	-39.7	177.6	-170.6	174.6	-177.5	174.9	0	112.8	C1110 R1111 L1112 M1117 N1118	C1110-K1114 WeakPolarHBondContact O-CB 3.45Å; C1110-K1114 PolarHBondContact O-N 2.9Å; R1111-K1114 PolarHBondContact O-N 2.51Å; L1112-K1114 VanDerWaalsContact C-N 3.33Å; L1112-K1114 PolarHBondContact O-N 3.38Å; K1114-M1117 PolarHBondContact O-N 3.13Å; K1114-N1118 WeakPolarHBondContact O-CB 3.27Å; K1114-N1118 VanDerWaalsContact O-CG 3.31Å; K1114-N1118 PolarHBondContact O-N 2.91Å; K1114-N1118 PolarHBondContact O-ND2 2.85Å
1115	V	92.6	Very high	85.9	Confident	47 Å²	47	54 Å²	54	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-44.5	173.5	166.9	0	0	0	0	110.5	L917 I927 R1111 L1112 C1113 N1118 A1119	L917-V1115 HydrophobicContact CD1-CG1 3.98Å; I927-V1115 HydrophobicContact CD1-CB 4.13Å; I927-V1115 HydrophobicContact CD1-CG2 3.74Å; R1111-V1115 WeakPolarHBondContact O-CG2 3.37Å; R1111-V1115 PolarHBondContact O-N 2.97Å; L1112-V1115 WeakPolarHBondContact O-CB 3.26Å; L1112-V1115 PolarHBondContact O-N 3.44Å; L1112-V1115 VanDerWaalsContact O-N 3.16Å; C1113-V1115 VanDerWaalsContact C-N 3.32Å; C1113-V1115 PolarHBondContact O-N 3.37Å; V1115-N1118 PolarHBondContact O-N 3.47Å; V1115-A1119 WeakPolarHBondContact O-CB 3.33Å; V1115-A1119 PolarHBondContact O-N 2.9Å
1116	L	90.8	Very high	85.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-68	-35.5	176.9	-62.2	177.6	0	0	0	112.7	I833 K870 A871 H893 L1112 C1113 N1118 A1119	I833-L1116 HydrophobicContact CD1-CD1 3.73Å; I833-L1116 HydrophobicContact CG1-CD1 3.75Å; K870-L1116 HydrophobicContact CD-CB 4.37Å; K870-L1116 WeakPolarHBondContact CE-O 3.25Å; K870-L1116 PolarHBondContact NZ-O 3.37Å; A871-L1116 HydrophobicContact CB-CD1 3.55Å; A871-L1116 HydrophobicContact CB-CD2 3.74Å; A871-L1116 HydrophobicContact CB-CG 4.3Å; H893-L1116 HydrophobicContact CB-CD2 4.01Å; L1112-L1116 HydrophobicContact CD1-CD1 4.09Å; L1112-L1116 HydrophobicContact CD1-CD2 4.41Å; L1112-L1116 HydrophobicContact CD1-CG 4.02Å; L1112-L1116 HydrophobicContact CG-CD1 4.25Å; L1112-L1116 WeakPolarHBondContact O-CG 2.85Å; L1112-L1116 PolarHBondContact O-N 2.63Å; C1113-L1116 CarbonylContact O-C 3.53Å; C1113-L1116 WeakPolarHBondContact O-CA 3.19Å; C1113-L1116 WeakPolarHBondContact O-CB 3.12Å; C1113-L1116 PolarHBondContact O-N 3.41Å; L1116-N1118 VanDerWaalsContact C-N 3.33Å; L1116-A1119 PolarHBondContact O-N 2.84Å
1117	M	86.2	Confident	85.7	Confident	77 Å²	77	56.5 Å²	56.5	38%	0.379	30%	0.303	S	S	.	.	H	α-helix	trans	-60.9	-44.9	174.6	-69.4	177.2	70.6	0	0	111.1	F831 P856 C1113 K1114	F831-M1117 HydrophobicContact CD2-CG 3.81Å; F831-M1117 HydrophobicContact CE2-CB 4.22Å; F831-M1117 HydrophobicContact CE2-CG 3.57Å; P856-M1117 VanDerWaalsContact CD-SD 3.58Å; P856-M1117 HydrophobicContact CG-CE 3.79Å; P856-M1117 HydrophobicContact CG-CG 4.21Å; P856-M1117 HydrophobicContact CG-SD 3.93Å; C1113-M1117 VanDerWaalsContact O-CG 3.24Å; C1113-M1117 WeakPolarHBondContact O-CG 3.27Å; C1113-M1117 PolarHBondContact O-N 3.32Å; K1114-M1117 PolarHBondContact O-N 3.13Å
1118	N	84.5	Confident	85.5	Confident	120 Å²	120	61.7 Å²	61.7	64%	0.642	32%	0.323	S	S	*	.	H	α-helix	trans	-86.5	-6.7	-176.1	-64.4	-18.4	0	0	0	113.6	K1114 V1115 L1116	K1114-N1118 WeakPolarHBondContact O-CB 3.27Å; K1114-N1118 VanDerWaalsContact O-CG 3.31Å; K1114-N1118 PolarHBondContact O-N 2.91Å; K1114-N1118 PolarHBondContact O-ND2 2.85Å; V1115-N1118 PolarHBondContact O-N 3.47Å; L1116-N1118 VanDerWaalsContact C-N 3.33Å
1119	A	79.8	Confident	85.3	Confident	15 Å²	15	61.7 Å²	61.7	12%	0.124	32%	0.323	C	S	.	.	S	Bend	trans	-63.2	134.7	177.9	0	0	0	0	0	110.5	V1115 L1116 L1121	V1115-A1119 WeakPolarHBondContact O-CB 3.33Å; V1115-A1119 PolarHBondContact O-N 2.9Å; L1116-A1119 PolarHBondContact O-N 2.84Å; A1119-L1121 PolarHBondContact O-N 3.47Å
1120	P	71.3	Confident	85	Confident	90 Å²	90	61.8 Å²	61.8	58%	0.584	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-53.9	136.6	177.5	-23.3	31.7	0	0	0	111.8	G1122	P1120-G1122 PolarHBondContact O-N 3.22Å
1121	L	60.7	Low	84.6	Confident	168 Å²	168	66.2 Å²	66.2	88%	0.88	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	125.8	177.1	-78	165.6	0	0	0	110.2	A1119	A1119-L1121 PolarHBondContact O-N 3.47Å
1122	G	60.8	Low	84	Confident	42 Å²	42	62.8 Å²	62.8	43%	0.433	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	-11.6	171.4	0	0	0	0	0	115.9	P890 P1120	P890-G1122 CarbonylContact C-O 3.52Å; P1120-G1122 PolarHBondContact O-N 3.22Å
1123	T	66.5	Low	83.5	Confident	68 Å²	68	63.6 Å²	63.6	42%	0.417	34%	0.339	S	S	.	.			trans	-137.8	128.9	-178.2	57	0	0	0	0	113	P890	P890-T1123 CarbonylContact O-C 3.55Å; P890-T1123 VanDerWaalsContact O-C 3.25Å; P890-T1123 WeakPolarHBondContact O-CA 3.39Å
1124	A	82.5	Confident	82.9	Confident	10 Å²	10	66.1 Å²	66.1	8%	0.083	35%	0.354	C	S	.	.			trans	-119.4	80.2	175.9	0	0	0	0	0	109.1	P890 M892 T916	P890-A1124 WeakPolarHBondContact O-CB 3.33Å; P890-A1124 PolarHBondContact O-N 3.05Å; M892-A1124 VanDerWaalsContact C-CB 3.47Å; M892-A1124 WeakPolarHBondContact O-CB 3.04Å; T916-A1124 HydrophobicContact CG2-CB 4.35Å; T916-A1124 WeakPolarHBondContact CG2-O 3.23Å
1125	D	84.2	Confident	82.5	Confident	105 Å²	105	65 Å²	65	56%	0.561	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-71.6	159.3	177.7	-69.3	-45.7	0	0	0	111.8
1126	R	89.8	Confident	82.4	Confident	58 Å²	58	63.8 Å²	63.8	22%	0.219	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-77	134.4	176.8	-61.4	-171.5	-75.2	168	-13.4	110.2	D791 D913 F915 T916 A1130 E1131	D791-R1126 IonicContact OD1-NH2 3.68Å; D913-R1126 VanDerWaalsContact CB-NH1 3.32Å; D913-R1126 VanDerWaalsContact CG-NH1 3.35Å; D913-R1126 IonicContact OD1-CZ 3.82Å; D913-R1126 IonicContact OD1-NH1 3.09Å; D913-R1126 PolarHBondContact OD1-NH1 3.44Å; D913-R1126 IonicContact OD1-NH2 3.95Å; F915-R1126 WeakPolarHBondContact O-CD 3.43Å; F915-R1126 WeakPolarHBondContact O-CG 3.24Å; T916-R1126 WeakPolarHBondContact O-CA 3.42Å; R1126-A1130 HydrophobicContact CB-CB 4.4Å; R1126-E1131 PolarHBondContact NH1-O 3.2Å
1127	S	91.9	Very high	82.2	Confident	18 Å²	18	63.8 Å²	63.8	13%	0.126	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-74	166.1	168.9	66.6	0	0	0	0	112.1	T916 D926 S1129 A1130 E1131	T916-S1127 PolarHBondContact O-N 3.48Å; T916-S1127 PolarHBondContact O-OG 2.96Å; D926-S1127 VanDerWaalsContact CG-CB 3.43Å; D926-S1127 WeakPolarHBondContact OD1-CB 3.49Å; D926-S1127 PolarHBondContact OD1-OG 3.16Å; D926-S1127 VanDerWaalsContact OD2-CB 3.29Å; D926-S1127 WeakPolarHBondContact OD2-CB 3.26Å; D926-S1127 PolarHBondContact OD2-OG 2.8Å; S1127-S1129 VanDerWaalsContact C-N 3.25Å; S1127-S1129 PolarHBondContact O-N 2.86Å; S1127-S1129 PolarHBondContact OG-OG 2.87Å; S1127-A1130 CarbonylContact O-C 3.56Å; S1127-A1130 WeakPolarHBondContact O-CA 3.33Å; S1127-A1130 PolarHBondContact O-N 2.88Å; S1127-A1130 WeakPolarHBondContact OG-CB 3.38Å; S1127-A1130 PolarHBondContact OG-N 3.02Å; S1127-E1131 WeakPolarHBondContact O-CG 3.48Å; S1127-E1131 PolarHBondContact O-N 3.47Å
1128	K	88.4	Confident	82	Confident	183 Å²	183	62.7 Å²	62.7	80%	0.796	34%	0.337	S	S	*	.	H	α-helix	trans	-56.2	-37.2	176.9	-67.3	-174.3	179	-178.8	0	113.1	A1130	K1128-A1130 VanDerWaalsContact C-N 3.32Å
1129	S	90.9	Very high	81.7	Confident	4 Å²	4	62.5 Å²	62.5	3%	0.028	34%	0.336	C	S	.	.	H	α-helix	trans	-75.8	-19.4	177	47	0	0	0	0	113.1	T918 D926 S1127 I1133	T918-S1129 VanDerWaalsContact OG1-CB 3.23Å; T918-S1129 WeakPolarHBondContact OG1-CB 3.28Å; T918-S1129 PolarHBondContact OG1-OG 3.38Å; D926-S1129 PolarHBondContact OD2-OG 2.81Å; S1127-S1129 VanDerWaalsContact C-N 3.25Å; S1127-S1129 PolarHBondContact O-N 2.86Å; S1127-S1129 PolarHBondContact OG-OG 2.87Å; S1129-I1133 WeakPolarHBondContact O-CG1 3.38Å
1130	A	91.5	Very high	81.9	Confident	2 Å²	2	65.3 Å²	65.3	2%	0.017	35%	0.348	C	S	.	.	H	α-helix	trans	-97.9	-9.7	178.1	0	0	0	0	0	114.2	T916 T918 R1126 S1127 K1128	T916-A1130 WeakPolarHBondContact O-CB 3.23Å; T918-A1130 HydrophobicContact CG2-CB 4.22Å; R1126-A1130 HydrophobicContact CB-CB 4.4Å; S1127-A1130 CarbonylContact O-C 3.56Å; S1127-A1130 WeakPolarHBondContact O-CA 3.33Å; S1127-A1130 PolarHBondContact O-N 2.88Å; S1127-A1130 WeakPolarHBondContact OG-CB 3.38Å; S1127-A1130 PolarHBondContact OG-N 3.02Å; K1128-A1130 VanDerWaalsContact C-N 3.32Å
1131	E	85.7	Confident	82.4	Confident	108 Å²	108	61 Å²	61	51%	0.505	32%	0.321	S	S	.	.	H	α-helix	trans	-60.6	-49.7	177.6	-81.2	174.9	-157.8	0	0	112.4	R1126 S1127	R1126-E1131 PolarHBondContact NH1-O 3.2Å; S1127-E1131 WeakPolarHBondContact O-CG 3.48Å; S1127-E1131 PolarHBondContact O-N 3.47Å
1132	D	83.9	Confident	83.6	Confident	69 Å²	69	61.1 Å²	61.1	37%	0.369	31%	0.309	S	S	.	.	S	Bend	trans	-141.2	85.7	174.7	-173.5	-18.3	0	0	0	109.1	V1134 K1135 W1136	D1132-V1134 VanDerWaalsContact C-N 3.27Å; D1132-V1134 PolarHBondContact O-N 2.95Å; D1132-V1134 PolarHBondContact OD1-N 3.29Å; D1132-K1135 HydrophobicContact CB-CB 4.04Å; D1132-K1135 PolarHBondContact O-N 3.1Å; D1132-K1135 WeakPolarHBondContact OD1-CB 3.31Å; D1132-K1135 PolarHBondContact OD1-N 3.15Å; D1132-K1135 WeakPolarHBondContact OD2-CB 3.46Å; D1132-W1136 VanDerWaalsContact O-CB 3.31Å; D1132-W1136 WeakPolarHBondContact O-CB 3.27Å; D1132-W1136 PolarHBondContact O-N 2.63Å
1133	I	85.1	Confident	84.7	Confident	17 Å²	17	60.8 Å²	60.8	9%	0.087	30%	0.3	C	S	.	.	H	α-helix	trans	-64	-34.3	-175.9	-66.7	164.5	0	0	0	111.3	L896 L907 F915 T918 S1129 Y1137	L896-I1133 HydrophobicContact CB-CD1 4.45Å; L896-I1133 HydrophobicContact CD2-CD1 3.95Å; L896-I1133 HydrophobicContact CD2-CG2 3.63Å; L907-I1133 HydrophobicContact CD1-CG2 3.93Å; F915-I1133 HydrophobicContact CB-CD1 3.68Å; F915-I1133 HydrophobicContact CD2-CD1 3.59Å; F915-I1133 HydrophobicContact CG-CD1 4.02Å; T918-I1133 HydrophobicContact CG2-CD1 4.41Å; T918-I1133 HydrophobicContact CG2-CG1 4.22Å; S1129-I1133 WeakPolarHBondContact O-CG1 3.38Å; I1133-Y1137 WeakPolarHBondContact O-CA 3.47Å; I1133-Y1137 WeakPolarHBondContact O-CB 3.16Å; I1133-Y1137 PolarHBondContact O-N 3.4Å
1134	V	82.6	Confident	85.6	Confident	53 Å²	53	60.3 Å²	60.3	32%	0.321	30%	0.295	S	S	.	.	I	π-helix	trans	-66.7	-47.1	180	178.1	0	0	0	0	109.3	L907 D1132 V1138 L1139	L907-V1134 HydrophobicContact CB-CG2 4.47Å; D1132-V1134 VanDerWaalsContact C-N 3.27Å; D1132-V1134 PolarHBondContact O-N 2.95Å; D1132-V1134 PolarHBondContact OD1-N 3.29Å; V1134-V1138 HydrophobicContact CG1-CG2 4.33Å; V1134-V1138 WeakPolarHBondContact O-CA 3.49Å; V1134-V1138 WeakPolarHBondContact O-CB 3.44Å; V1134-V1138 PolarHBondContact O-N 3.38Å; V1134-L1139 PolarHBondContact O-N 3.02Å
1135	K	83.2	Confident	85.5	Confident	111 Å²	111	63 Å²	63	48%	0.483	31%	0.311	S	S	.	.	I	π-helix	trans	-62.5	-55.2	174.2	-179	-175.6	174.4	-173.1	0	111.8	D1132 Y1137 L1139 D1140	D1132-K1135 HydrophobicContact CB-CB 4.04Å; D1132-K1135 PolarHBondContact O-N 3.1Å; D1132-K1135 WeakPolarHBondContact OD1-CB 3.31Å; D1132-K1135 PolarHBondContact OD1-N 3.15Å; D1132-K1135 WeakPolarHBondContact OD2-CB 3.46Å; K1135-Y1137 PolarHBondContact O-N 3.24Å; K1135-L1139 HydrophobicContact CB-CD1 4.37Å; K1135-L1139 HydrophobicContact CG-CD1 4.32Å; K1135-L1139 WeakPolarHBondContact O-CB 3.41Å; K1135-L1139 PolarHBondContact O-N 3.42Å; K1135-L1139 VanDerWaalsContact O-N 3.16Å; K1135-D1140 PolarHBondContact O-N 3.41Å
1136	W	89.1	Confident	85.1	Confident	21 Å²	21	58.5 Å²	58.5	8%	0.08	29%	0.287	C	S	.	.	I	π-helix	trans	-60.1	-48.5	-176.1	168.2	77.6	0	0	0	111.3	T918 T920 R922 D924 D1132 D1140	T918-W1136 HydrophobicContact CG2-CE3 4.35Å; T918-W1136 HydrophobicContact CG2-CH2 4.36Å; T918-W1136 HydrophobicContact CG2-CZ3 3.84Å; T920-W1136 HydrophobicContact CG2-CH2 3.82Å; T920-W1136 HydrophobicContact CG2-CZ3 4.17Å; R922-W1136 HydrophobicContact CB-CH2 4.18Å; R922-W1136 HydrophobicContact CB-CZ2 3.83Å; R922-W1136 HydrophobicContact CG-CZ2 4.36Å; R922-W1136 PolarHBondContact NH1-O 3.23Å; D924-W1136 WeakPolarHBondContact OD1-CZ2 3.47Å; D924-W1136 PolarHBondContact OD1-NE1 2.67Å; D924-W1136 VanDerWaalsContact OD1-NE1 3.17Å; D1132-W1136 VanDerWaalsContact O-CB 3.31Å; D1132-W1136 WeakPolarHBondContact O-CB 3.27Å; D1132-W1136 PolarHBondContact O-N 2.63Å; W1136-D1140 WeakPolarHBondContact O-CB 3.21Å
1137	Y	88.1	Confident	84.7	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	28%	0.281	C	S	.	.	I	π-helix	trans	-85.6	-45.9	-171.7	-161.3	-105.6	0	0	0	113.3	L898 E900 P902 L907 Y921 R922 I1133 K1135 G1141	L898-Y1137 HydrophobicContact CD1-CD1 4.38Å; L898-Y1137 HydrophobicContact CD1-CD2 4.24Å; L898-Y1137 HydrophobicContact CD1-CE1 3.52Å; L898-Y1137 HydrophobicContact CD1-CE2 3.38Å; L898-Y1137 WeakPolarHBondContact CD1-OH 3.46Å; L898-Y1137 HydrophobicContact CD2-CE1 4.41Å; L898-Y1137 HydrophobicContact CD2-CE2 4.4Å; L898-Y1137 HydrophobicContact CG-CE2 4.48Å; E900-Y1137 PolarHBondContact O-OH 3.34Å; P902-Y1137 HydrophobicContact CB-CE1 4.47Å; P902-Y1137 HydrophobicContact CG-CD1 3.95Å; P902-Y1137 HydrophobicContact CG-CE1 3.78Å; P902-Y1137 VanDerWaalsContact CG-O 3.23Å; P902-Y1137 WeakPolarHBondContact CG-O 3.12Å; L907-Y1137 HydrophobicContact CD1-CD1 3.62Å; L907-Y1137 HydrophobicContact CD1-CG 4.18Å; Y921-Y1137 HydrophobicContact CE1-CE2 4.45Å; Y921-Y1137 AromaticContact CE1-CZ 3.96Å; Y921-Y1137 WeakPolarHBondContact CE1-OH 3.15Å; Y921-Y1137 PolarHBondContact OH-OH 2.83Å; Y921-Y1137 VanDerWaalsContact OH-OH 3.09Å; R922-Y1137 HydrophobicContact CG-CD2 4.36Å; R922-Y1137 HydrophobicContact CG-CE2 3.96Å; I1133-Y1137 WeakPolarHBondContact O-CA 3.47Å; I1133-Y1137 WeakPolarHBondContact O-CB 3.16Å; I1133-Y1137 PolarHBondContact O-N 3.4Å; K1135-Y1137 PolarHBondContact O-N 3.24Å; Y1137-G1141 WeakPolarHBondContact O-CA 3.33Å; Y1137-G1141 PolarHBondContact O-N 2.76Å
1138	V	82.1	Confident	84.1	Confident	54 Å²	54	55.9 Å²	55.9	33%	0.327	28%	0.275	S	S	.	.	I	π-helix	trans	-84.9	-54.9	-175.1	-172.3	0	0	0	0	111	P902 L907 V1134	P902-V1138 HydrophobicContact CB-CB 4.48Å; P902-V1138 HydrophobicContact CB-CG1 4.27Å; P902-V1138 HydrophobicContact CB-CG2 4.46Å; L907-V1138 HydrophobicContact CD1-CG2 3.78Å; V1134-V1138 HydrophobicContact CG1-CG2 4.33Å; V1134-V1138 WeakPolarHBondContact O-CA 3.49Å; V1134-V1138 WeakPolarHBondContact O-CB 3.44Å; V1134-V1138 PolarHBondContact O-N 3.38Å
1139	L	77.7	Confident	83.5	Confident	117 Å²	117	49.7 Å²	49.7	61%	0.613	25%	0.248	S	C	*	.	I	π-helix	trans	-74.4	-51.6	-174.4	-55.6	180	0	0	0	111.4	V1134 K1135 G1141 R1142	V1134-L1139 PolarHBondContact O-N 3.02Å; K1135-L1139 HydrophobicContact CB-CD1 4.37Å; K1135-L1139 HydrophobicContact CG-CD1 4.32Å; K1135-L1139 WeakPolarHBondContact O-CB 3.41Å; K1135-L1139 PolarHBondContact O-N 3.42Å; K1135-L1139 VanDerWaalsContact O-N 3.16Å; L1139-G1141 PolarHBondContact O-N 3.05Å; L1139-R1142 PolarHBondContact O-N 3.19Å
1140	D	83.9	Confident	82.4	Confident	73 Å²	73	56 Å²	56	39%	0.39	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-3.8	179.8	-55.1	-28.2	0	0	0	112.5	R922 K1135 W1136 R1142	R922-D1140 PolarHBondContact NH1-O 3.44Å; K1135-D1140 PolarHBondContact O-N 3.41Å; W1136-D1140 WeakPolarHBondContact O-CB 3.21Å; D1140-R1142 PolarHBondContact O-N 3.2Å
1141	G	82.6	Confident	81.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.9	170	0	0	0	0	0	113.2	K1026 Y1137 L1139 C1143	K1026-G1141 WeakPolarHBondContact CB-O 3.37Å; K1026-G1141 PolarHBondContact N-O 3.04Å; Y1137-G1141 WeakPolarHBondContact O-CA 3.33Å; Y1137-G1141 PolarHBondContact O-N 2.76Å; L1139-G1141 PolarHBondContact O-N 3.05Å; G1141-C1143 PolarHBondContact O-N 3.24Å
1142	R	84.2	Confident	79.7	Confident	170 Å²	170	55 Å²	55	64%	0.642	27%	0.267	S	S	*	.			trans	47.7	44.5	174.7	-60.7	-172.5	-63.7	-155.3	2.4	113.4	L1139 D1140 L1144	L1139-R1142 PolarHBondContact O-N 3.19Å; D1140-R1142 PolarHBondContact O-N 3.2Å; R1142-L1144 PolarHBondContact O-N 3.26Å
1143	C	85.8	Confident	77.5	Confident	35 Å²	35	57.1 Å²	57.1	24%	0.236	28%	0.282	C	S	.	.			trans	-68.4	131	177.7	-65.2	0	0	0	0	111.1	P903 V1024 C1025 G1141 P1145	P903-C1143 HydrophobicContact CG-CB 4.33Å; V1024-C1143 CarbonylContact O-C 3.58Å; V1024-C1143 VanDerWaalsContact O-CA 3.29Å; V1024-C1143 WeakPolarHBondContact O-CA 3.39Å; C1025-C1143 HydrophobicContact CB-CB 4.11Å; C1025-C1143 WeakPolarHBondContact CB-SG 3.19Å; C1025-C1143 WeakPolarHBondContact SG-CB 3.43Å; C1025-C1143 CovalentContact SG-SG 2.04Å; C1025-C1143 PolarHBondContact SG-SG 3.17Å; G1141-C1143 PolarHBondContact O-N 3.24Å; C1143-P1145 WeakPolarHBondContact O-CD 3.36Å
1144	L	84.4	Confident	75.2	Confident	59 Å²	59	62.5 Å²	62.5	31%	0.309	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-101.1	104.8	179.6	-57.2	178.7	0	0	0	109.3	V1024 R1142 Y1147	V1024-L1144 HydrophobicContact CB-CB 4.37Å; V1024-L1144 HydrophobicContact CG1-CB 4.48Å; V1024-L1144 HydrophobicContact CG1-CD1 4.32Å; V1024-L1144 PolarHBondContact O-N 3.1Å; R1142-L1144 PolarHBondContact O-N 3.26Å; L1144-Y1147 HydrophobicContact CB-CD2 3.87Å; L1144-Y1147 HydrophobicContact CD1-CD2 3.59Å; L1144-Y1147 HydrophobicContact CD1-CE2 3.55Å; L1144-Y1147 HydrophobicContact CG-CD2 4.39Å
1145	P	79.9	Confident	72.7	Confident	65 Å²	65	67 Å²	67	42%	0.422	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	149.9	174.7	29.9	-34.3	0	0	0	109.8	C1143 Y1147	C1143-P1145 WeakPolarHBondContact O-CD 3.36Å; P1145-Y1147 PolarHBondContact O-N 3.21Å
1146	D	77.2	Confident	70.2	Confident	12 Å²	12	69.8 Å²	69.8	6%	0.064	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.4	26.5	170.9	-69.5	-80.3	0	0	0	114.6	P971 A973 G1148 K1149 C1201 P1202 X1203	P971-D1146 PolarHBondContact O-N 3.26Å; A973-D1146 HydrophobicContact CB-CB 4.48Å; D1146-G1148 PolarHBondContact O-N 3.49Å; D1146-G1148 VanDerWaalsContact O-N 3.16Å; D1146-K1149 HydrophobicContact CB-CB 4.44Å; D1146-K1149 HydrophobicContact CB-CD 4.04Å; D1146-K1149 HydrophobicContact CB-CG 4.42Å; D1146-K1149 WeakPolarHBondContact O-CB 3.17Å; D1146-K1149 PolarHBondContact O-N 3.26Å; D1146-K1149 WeakPolarHBondContact OD1-CD 3.5Å; D1146-K1149 WeakPolarHBondContact OD1-CE 3.35Å; D1146-K1149 IonicContact OD1-NZ 3.14Å; D1146-K1149 PolarHBondContact OD1-NZ 2.79Å; D1146-C1201 WeakPolarHBondContact OD2-CA 3.41Å; D1146-P1202 HydrophobicContact CB-CG 4.34Å; D1146-P1202 VanDerWaalsContact OD1-C 3.27Å; D1146-P1202 WeakPolarHBondContact OD1-CG 3.45Å; D1146-P1202 WeakPolarHBondContact OD2-CD 3.36Å; D1146-A1203 VanDerWaalsContact CG-CB 3.49Å; D1146-A1203 VanDerWaalsContact CG-N 3.29Å; D1146-A1203 WeakPolarHBondContact OD1-CA 3.44Å; D1146-A1203 WeakPolarHBondContact OD1-CB 3.47Å; D1146-A1203 PolarHBondContact OD1-N 3.22Å; D1146-A1203 WeakPolarHBondContact OD2-CB 3.46Å; D1146-A1203 PolarHBondContact OD2-N 3.28Å
1147	Y	81.6	Confident	67.2	Low	21 Å²	21	75.1 Å²	75.1	8%	0.082	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-53.3	-41	-176.4	-165.8	-99.4	0	0	0	112.3	S972 V1024 L1046 S1047 D1064 L1144 P1145 K1149 R1150 F1151	S972-Y1147 PolarHBondContact O-N 2.95Å; V1024-Y1147 HydrophobicContact CB-CG 4.21Å; V1024-Y1147 HydrophobicContact CG1-CD1 4.37Å; V1024-Y1147 HydrophobicContact CG1-CD2 4.24Å; V1024-Y1147 HydrophobicContact CG1-CG 4.15Å; V1024-Y1147 HydrophobicContact CG2-CD1 3.96Å; V1024-Y1147 HydrophobicContact CG2-CG 3.87Å; L1046-Y1147 HydrophobicContact CB-CD1 4.24Å; L1046-Y1147 HydrophobicContact CB-CE1 4.49Å; L1046-Y1147 WeakPolarHBondContact O-CE1 3.47Å; S1047-Y1147 PolarHBondContact OG-OH 3.37Å; D1064-Y1147 HydrophobicContact CB-CE1 4.27Å; D1064-Y1147 WeakPolarHBondContact CB-OH 3.24Å; D1064-Y1147 PolarHBondContact OD2-OH 3.36Å; L1144-Y1147 HydrophobicContact CB-CD2 3.87Å; L1144-Y1147 HydrophobicContact CD1-CD2 3.59Å; L1144-Y1147 HydrophobicContact CD1-CE2 3.55Å; L1144-Y1147 HydrophobicContact CG-CD2 4.39Å; P1145-Y1147 PolarHBondContact O-N 3.21Å; Y1147-K1149 PolarHBondContact O-N 3.37Å; Y1147-R1150 WeakPolarHBondContact O-CB 3.41Å; Y1147-R1150 PolarHBondContact O-N 3.03Å; Y1147-R1150 VanDerWaalsContact O-N 3.13Å; Y1147-F1151 AromaticContact CD1-CE2 3.89Å; Y1147-F1151 HydrophobicContact CD1-CE2 3.89Å; Y1147-F1151 HydrophobicContact CD1-CZ 4.48Å; Y1147-F1151 AromaticContact CE1-CE2 3.66Å; Y1147-F1151 HydrophobicContact CE1-CE2 3.66Å; Y1147-F1151 AromaticContact CE1-CZ 3.8Å; Y1147-F1151 HydrophobicContact CE1-CZ 3.8Å; Y1147-F1151 WeakPolarHBondContact O-CE2 3.5Å
1148	G	78.7	Confident	64.5	Low	0 Å²	0	81 Å²	81	0%	0	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-62.5	-22.6	176.5	0	0	0	0	0	114.9	S972 D1146	S972-G1148 PolarHBondContact O-N 2.99Å; D1146-G1148 PolarHBondContact O-N 3.49Å; D1146-G1148 VanDerWaalsContact O-N 3.16Å
1149	K	74.5	Confident	62.3	Low	52 Å²	52	85.4 Å²	85.4	23%	0.226	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-77.9	-22.7	175.8	-68	179.8	179.8	146.8	0	113.2	A973 I976 D1146 Y1147 F1151 I1152 P1202	A973-K1149 HydrophobicContact CB-CD 4.38Å; A973-K1149 HydrophobicContact CB-CG 3.94Å; I976-K1149 HydrophobicContact CD1-CD 4.3Å; I976-K1149 HydrophobicContact CD1-CG 4.24Å; I976-K1149 HydrophobicContact CG2-CG 4Å; D1146-K1149 HydrophobicContact CB-CB 4.44Å; D1146-K1149 HydrophobicContact CB-CD 4.04Å; D1146-K1149 HydrophobicContact CB-CG 4.42Å; D1146-K1149 WeakPolarHBondContact O-CB 3.17Å; D1146-K1149 PolarHBondContact O-N 3.26Å; D1146-K1149 WeakPolarHBondContact OD1-CD 3.5Å; D1146-K1149 WeakPolarHBondContact OD1-CE 3.35Å; D1146-K1149 IonicContact OD1-NZ 3.14Å; D1146-K1149 PolarHBondContact OD1-NZ 2.79Å; Y1147-K1149 PolarHBondContact O-N 3.37Å; K1149-F1151 PolarHBondContact O-N 2.8Å; K1149-F1151 VanDerWaalsContact O-N 3.09Å; K1149-I1152 PolarHBondContact O-N 2.94Å; K1149-P1202 HydrophobicContact CD-CG 3.74Å; K1149-P1202 PolarHBondContact NZ-O 3.44Å
1150	R	68.7	Low	59.9	Low	136 Å²	136	83.7 Å²	83.7	51%	0.513	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-60.5	-22.2	-177.7	-64.4	-177.1	176.9	-168.2	-3	113	Y1147 V1153	Y1147-R1150 WeakPolarHBondContact O-CB 3.41Å; Y1147-R1150 PolarHBondContact O-N 3.03Å; Y1147-R1150 VanDerWaalsContact O-N 3.13Å; R1150-V1153 WeakPolarHBondContact O-CG2 3.26Å
1151	F	64.7	Low	57.3	Low	29 Å²	29	89.2 Å²	89.2	13%	0.127	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-94.2	3.9	179.8	-53.7	-81.6	0	0	0	113.9	Y977 D1064 Y1147 K1149	Y977-F1151 HydrophobicContact CD2-CB 3.69Å; Y977-F1151 AromaticContact CD2-CD2 3.58Å; Y977-F1151 HydrophobicContact CD2-CD2 3.58Å; Y977-F1151 AromaticContact CD2-CG 3.86Å; Y977-F1151 HydrophobicContact CD2-CG 3.86Å; Y977-F1151 HydrophobicContact CE2-CB 3.37Å; Y977-F1151 HydrophobicContact CE2-CD1 4.22Å; Y977-F1151 AromaticContact CE2-CD2 3.54Å; Y977-F1151 HydrophobicContact CE2-CD2 3.54Å; Y977-F1151 HydrophobicContact CE2-CE2 4.43Å; Y977-F1151 AromaticContact CE2-CG 3.43Å; Y977-F1151 HydrophobicContact CE2-CG 3.43Å; Y977-F1151 VanDerWaalsContact CE2-CG 3.43Å; D1064-F1151 HydrophobicContact CB-CE1 3.79Å; D1064-F1151 HydrophobicContact CB-CZ 3.43Å; D1064-F1151 VanDerWaalsContact CB-CZ 3.43Å; Y1147-F1151 AromaticContact CD1-CE2 3.89Å; Y1147-F1151 HydrophobicContact CD1-CE2 3.89Å; Y1147-F1151 HydrophobicContact CD1-CZ 4.48Å; Y1147-F1151 AromaticContact CE1-CE2 3.66Å; Y1147-F1151 HydrophobicContact CE1-CE2 3.66Å; Y1147-F1151 AromaticContact CE1-CZ 3.8Å; Y1147-F1151 HydrophobicContact CE1-CZ 3.8Å; Y1147-F1151 WeakPolarHBondContact O-CE2 3.5Å; K1149-F1151 PolarHBondContact O-N 2.8Å; K1149-F1151 VanDerWaalsContact O-N 3.09Å
1152	I	55.1	Low	54.7	Low	62 Å²	62	97.7 Å²	97.7	32%	0.318	51%	0.505	S	S	.	.	G	3₁₀ helix	trans	-113.8	25.2	176.6	-46.2	179.1	0	0	0	109.7	I976 A980 K1149 L1154	I976-I1152 HydrophobicContact CG2-CD1 3.24Å; A980-I1152 HydrophobicContact CB-CD1 3.76Å; A980-I1152 HydrophobicContact CB-CG1 4.07Å; K1149-I1152 PolarHBondContact O-N 2.94Å; I1152-L1154 VanDerWaalsContact C-N 3.31Å; I1152-L1154 HydrophobicContact CG2-CD1 4.32Å; I1152-L1154 PolarHBondContact O-N 3.48Å
1153	V	39.6	Very low	51.9	Low	112 Å²	112	94.5 Å²	94.5	68%	0.679	51%	0.509	S	S	*	.			trans	-66.9	98.4	173	178.6	0	0	0	0	107.9	R1150 I1155	R1150-V1153 WeakPolarHBondContact O-CG2 3.26Å; V1153-I1155 PolarHBondContact O-N 3.45Å
1154	L	36.6	Very low	49.1	Very low	130 Å²	130	100.2 Å²	100.2	68%	0.681	54%	0.537	S	S	*	.			trans	-54.4	99.3	167.6	-102.9	80.3	0	0	0	108.2	I1152 F1156	I1152-L1154 VanDerWaalsContact C-N 3.31Å; I1152-L1154 HydrophobicContact CG2-CD1 4.32Å; I1152-L1154 PolarHBondContact O-N 3.48Å; L1154-F1156 PolarHBondContact O-N 2.9Å
1155	I	30.2	Very low	46.4	Very low	147 Å²	147	102.4 Å²	102.4	75%	0.754	55%	0.554	S	S	*	*			trans	-74.3	102.5	155.9	-63.3	174.7	0	0	0	105.9	V1153	V1153-I1155 PolarHBondContact O-N 3.45Å
1156	F	30.9	Very low	43.8	Very low	170 Å²	170	109.1 Å²	109.1	75%	0.746	58%	0.577	S	S	*	*			trans	-139.5	74.3	154	-84.4	-74.4	0	0	0	108.7	L1154	L1154-F1156 PolarHBondContact O-N 2.9Å
1157	V	25	Very low	41.3	Very low	134 Å²	134	116 Å²	116	81%	0.812	61%	0.612	S	S	*	*			trans	-100.2	81.8	155.8	-177.8	0	0	0	0	105.4
1158	I	32.1	Very low	38.8	Very low	123 Å²	123	120.5 Å²	120.5	63%	0.631	64%	0.642	S	S	*	*	S	Bend	trans	-125.5	117.3	164.2	-60.6	-179.1	0	0	0	106
1159	N	35.3	Very low	36.4	Very low	147 Å²	147	126.2 Å²	126.2	79%	0.786	68%	0.677	S	S	*	*	S	Bend	trans	69.3	36.4	171.4	-57.3	-17.4	0	0	0	118	K1161	N1159-K1161 PolarHBondContact O-N 2.97Å
1160	G	28.1	Very low	34.3	Very low	80 Å²	80	132.3 Å²	132.3	83%	0.825	71%	0.707	S	S	*	*	S	Bend	trans	64.4	12.9	150.5	0	0	0	0	0	117.5
1161	K	28.9	Very low	32.4	Very low	189 Å²	189	135.8 Å²	135.8	82%	0.822	72%	0.72	S	S	*	*			trans	-121.6	116.2	176.3	-70.8	-172.5	178.7	-178.7	0	110.6	N1159 S1163	N1159-K1161 PolarHBondContact O-N 2.97Å; K1161-S1163 PolarHBondContact O-N 3.32Å
1162	L	27.5	Very low	30.9	Very low	178 Å²	178	139.2 Å²	139.2	93%	0.932	74%	0.738	S	S	*	*			trans	-75	99.3	178.4	-166.1	89.2	0	0	0	108.9
1163	S	25.5	Very low	29.8	Very low	104 Å²	104	145.1 Å²	145.1	73%	0.727	76%	0.761	S	S	*	*			trans	-124.4	107.5	170.8	57.7	0	0	0	0	110.2	K1161 P1165	K1161-S1163 PolarHBondContact O-N 3.32Å; S1163-P1165 WeakPolarHBondContact O-CD 3.37Å
1164	L	26.6	Very low	29.6	Very low	155 Å²	155	147.6 Å²	147.6	81%	0.812	77%	0.766	S	S	*	*			trans	-67.4	122.2	172.5	-74.6	159.1	0	0	0	109.4	F1166	L1164-F1166 PolarHBondContact O-N 3.27Å
1165	P	27.9	Very low	29.7	Very low	105 Å²	105	144 Å²	144	68%	0.682	75%	0.747	S	S	*	*			trans	-76.6	123.2	170.5	0.9	14.7	0	0	0	109.3	S1163 I1167	S1163-P1165 WeakPolarHBondContact O-CD 3.37Å; P1165-I1167 PolarHBondContact O-N 3.34Å; P1165-I1167 VanDerWaalsContact O-N 3.12Å
1166	F	24.6	Very low	30	Very low	205 Å²	205	144.6 Å²	144.6	90%	0.899	74%	0.74	S	S	*	*			trans	-55.6	110.3	166.7	-82.5	-102.2	0	0	0	109.5	L1164 T1168	L1164-F1166 PolarHBondContact O-N 3.27Å; F1166-T1168 PolarHBondContact O-N 3.3Å
1167	I	25.7	Very low	30.7	Very low	156 Å²	156	143.6 Å²	143.6	80%	0.8	74%	0.739	S	S	*	*			trans	-82.1	116.2	168	-63.1	177.5	0	0	0	107.8	P1165	P1165-I1167 PolarHBondContact O-N 3.34Å; P1165-I1167 VanDerWaalsContact O-N 3.12Å
1168	T	28.2	Very low	32.5	Very low	116 Å²	116	143.5 Å²	143.5	71%	0.712	73%	0.734	S	S	*	*			trans	-49.2	138.7	-179	49.3	0	0	0	0	114.3	F1166 E1170	F1166-T1168 PolarHBondContact O-N 3.3Å; T1168-E1170 VanDerWaalsContact C-N 3.26Å; T1168-E1170 PolarHBondContact O-N 3.46Å
1169	T	28.1	Very low	34.6	Very low	120 Å²	120	140.6 Å²	140.6	74%	0.736	72%	0.715	S	S	*	*	G	3₁₀ helix	trans	-67.4	1.3	-167.2	17.5	0	0	0	0	117.1
1170	E	31.7	Very low	36.9	Very low	181 Å²	181	138.5 Å²	138.5	85%	0.846	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-91.6	-13.7	-172.5	-68.7	-161.6	143.6	0	0	115.8	T1168	T1168-E1170 VanDerWaalsContact C-N 3.26Å; T1168-E1170 PolarHBondContact O-N 3.46Å
1171	R	29.5	Very low	39.9	Very low	208 Å²	208	136.4 Å²	136.4	79%	0.785	67%	0.667	S	S	*	*	G	3₁₀ helix	trans	-86.4	-5	176.4	-96.5	-179.5	-179.1	-176.9	1	115.5
1172	I	31.2	Very low	43.1	Very low	101 Å²	101	129 Å²	129	52%	0.518	64%	0.636	S	S	.	*	S	Bend	trans	-82.1	-17.5	-175.4	-65.5	175.2	0	0	0	112.8	D1175	I1172-D1175 PolarHBondContact O-N 3.39Å
1173	K	31.9	Very low	46.3	Very low	186 Å²	186	120.5 Å²	120.5	81%	0.809	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-32.4	-173.3	-80.9	-175.8	177.2	175.9	0	115.3
1174	H	37.2	Very low	49.6	Very low	165 Å²	165	115.6 Å²	115.6	76%	0.764	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.9	-14.6	175.4	-89.3	-66.6	0	0	0	113.8	R1176	H1174-R1176 VanDerWaalsContact C-N 3.34Å; H1174-R1176 PolarHBondContact O-N 3.48Å
1175	D	38.1	Very low	52.8	Low	54 Å²	54	109.2 Å²	109.2	29%	0.289	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-10.1	-176.1	-136	48.3	0	0	0	113.2	R969 I1172 R1179	R969-D1175 IonicContact CZ-OD1 2.78Å; R969-D1175 IonicContact CZ-OD2 3.76Å; R969-D1175 IonicContact NE-OD1 3.23Å; R969-D1175 PolarHBondContact NE-OD1 3.24Å; R969-D1175 IonicContact NE-OD2 3.42Å; R969-D1175 PolarHBondContact NE-OD2 2.99Å; R969-D1175 PolarHBondContact NH1-O 2.88Å; R969-D1175 PolarHBondContact NH2-O 3.29Å; R969-D1175 IonicContact NH2-OD1 2.89Å; R969-D1175 PolarHBondContact NH2-OD1 3.5Å; R969-D1175 IonicContact NH2-OD2 2.69Å; I1172-D1175 PolarHBondContact O-N 3.39Å; D1175-R1179 IonicContact OD2-CZ 2.76Å; D1175-R1179 IonicContact OD2-NH2 3.65Å; D1175-R1179 PolarHBondContact OD2-NH2 3.26Å; D1175-R1179 VanDerWaalsContact OD2-NH2 3.09Å
1176	R	36.9	Very low	55.9	Low	160 Å²	160	104.5 Å²	104.5	60%	0.604	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-9.7	-179.9	-88.6	-175.3	173.5	176.9	0.5	116	H1174 N1178	H1174-R1176 VanDerWaalsContact C-N 3.34Å; H1174-R1176 PolarHBondContact O-N 3.48Å; R1176-N1178 VanDerWaalsContact C-N 3.3Å; R1176-N1178 PolarHBondContact O-N 3.28Å; R1176-N1178 VanDerWaalsContact O-N 3.08Å
1177	M	44.1	Very low	59.1	Low	148 Å²	148	96.9 Å²	96.9	73%	0.729	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-2.5	-164.2	-85	-173.4	71	0	0	117.5
1178	N	64	Low	62.1	Low	133 Å²	133	92 Å²	92	71%	0.711	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-160.8	24.5	175.4	-107.7	-18	0	0	0	116.6	R1176	R1176-N1178 VanDerWaalsContact C-N 3.3Å; R1176-N1178 PolarHBondContact O-N 3.28Å; R1176-N1178 VanDerWaalsContact O-N 3.08Å
1179	R	74.9	Confident	64.9	Low	62 Å²	62	89.9 Å²	89.9	23%	0.234	42%	0.418	C	S	.	.			trans	-75.2	135.8	169.6	-63.2	-167.5	-176.8	-145.8	4.7	109.1	D1175 K1181 P1205 E1207	D1175-R1179 IonicContact OD2-CZ 2.76Å; D1175-R1179 IonicContact OD2-NH2 3.65Å; D1175-R1179 PolarHBondContact OD2-NH2 3.26Å; D1175-R1179 VanDerWaalsContact OD2-NH2 3.09Å; R1179-K1181 PolarHBondContact O-N 3.41Å; R1179-K1181 VanDerWaalsContact O-N 3.14Å; R1179-P1205 CarbonylContact C-O 3.57Å; R1179-P1205 VanDerWaalsContact CA-O 3.26Å; R1179-P1205 WeakPolarHBondContact CA-O 3.37Å; R1179-E1207 HydrophobicContact CB-CB 4.25Å; R1179-E1207 HydrophobicContact CB-CG 3.88Å
1180	F	85.4	Confident	67.6	Low	102 Å²	102	86.4 Å²	86.4	45%	0.447	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	110.4	168.8	-60.3	-52.9	0	0	0	108.3	I1182 P1205 C1206 E1207 K1219	F1180-I1182 PolarHBondContact O-N 3.5Å; F1180-P1205 HydrophobicContact CD2-CG 4.4Å; F1180-P1205 HydrophobicContact CE2-CG 4.49Å; F1180-P1205 PolarHBondContact N-O 2.81Å; F1180-C1206 VanDerWaalsContact O-CA 3.3Å; F1180-C1206 WeakPolarHBondContact O-CA 3.42Å; F1180-E1207 PolarHBondContact O-N 3.2Å; F1180-K1219 HydrophobicContact CB-CB 4.26Å; F1180-K1219 HydrophobicContact CB-CG 3.86Å; F1180-K1219 HydrophobicContact CD1-CD 4.32Å; F1180-K1219 HydrophobicContact CD1-CG 3.57Å; F1180-K1219 HydrophobicContact CE1-CG 4.45Å; F1180-K1219 HydrophobicContact CG-CG 3.99Å
1181	K	90.2	Very high	70.3	Confident	36 Å²	36	83.3 Å²	83.3	16%	0.157	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	128.8	177.2	-67.5	179.1	-172.7	172.8	0	109.7	R1179 E1207 T1209 E1214 S1218 K1219	R1179-K1181 PolarHBondContact O-N 3.41Å; R1179-K1181 VanDerWaalsContact O-N 3.14Å; K1181-E1207 WeakPolarHBondContact CA-O 3.37Å; K1181-E1207 WeakPolarHBondContact CE-OE1 3.37Å; K1181-E1207 HydrophobicContact CG-CG 3.9Å; K1181-E1207 WeakPolarHBondContact CG-OE1 3.49Å; K1181-T1209 HydrophobicContact CB-CG2 4.42Å; K1181-E1214 HydrophobicContact CD-CB 4.14Å; K1181-E1214 HydrophobicContact CD-CG 4.15Å; K1181-E1214 WeakPolarHBondContact CD-OE2 3.38Å; K1181-E1214 IonicContact NZ-OE1 3.91Å; K1181-E1214 PolarHBondContact NZ-OE1 3.05Å; K1181-E1214 IonicContact NZ-OE2 3.95Å; K1181-E1214 PolarHBondContact NZ-OE2 3.44Å; K1181-S1218 WeakPolarHBondContact CB-OG 3.38Å; K1181-S1218 CarbonylContact O-C 3.56Å; K1181-S1218 WeakPolarHBondContact O-CA 3.18Å; K1181-S1218 WeakPolarHBondContact O-CB 3.29Å; K1181-K1219 PolarHBondContact O-N 3.3Å
1182	I	95	Very high	73.3	Confident	33 Å²	33	77.7 Å²	77.7	17%	0.169	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.1	164.5	-56.6	-176.3	0	0	0	105.6	F1180 A1184 F1198 C1206 E1207 I1208 T1209 A1220 L1222	F1180-I1182 PolarHBondContact O-N 3.5Å; I1182-A1184 PolarHBondContact O-N 3.44Å; I1182-F1198 HydrophobicContact CD1-CZ 4.14Å; I1182-C1206 HydrophobicContact CD1-CB 4.19Å; I1182-E1207 PolarHBondContact N-O 3.49Å; I1182-I1208 VanDerWaalsContact O-CA 3.28Å; I1182-I1208 WeakPolarHBondContact O-CA 3.38Å; I1182-T1209 PolarHBondContact O-N 3.16Å; I1182-A1220 WeakPolarHBondContact CA-O 3.48Å; I1182-A1220 HydrophobicContact CG2-CB 4.4Å; I1182-L1222 HydrophobicContact CG2-CB 4.32Å
1183	L	95.5	Very high	76.2	Confident	0 Å²	0	74 Å²	74	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	109.3	176.7	175.3	58.6	0	0	0	108.8	W1185 T1209 D1211 Y1215 A1220 V1221 L1222	L1183-W1185 HydrophobicContact CD2-CE3 3.62Å; L1183-W1185 HydrophobicContact CD2-CZ3 3.83Å; L1183-W1185 HydrophobicContact CG-CE3 4.29Å; L1183-W1185 PolarHBondContact O-N 3.41Å; L1183-W1185 VanDerWaalsContact O-N 3.07Å; L1183-T1209 CarbonylContact C-O 3.44Å; L1183-T1209 WeakPolarHBondContact CA-O 3.36Å; L1183-T1209 HydrophobicContact CD1-CG2 4.15Å; L1183-T1209 WeakPolarHBondContact CD1-O 3.47Å; L1183-D1211 VanDerWaalsContact CD1-O 3.31Å; L1183-D1211 WeakPolarHBondContact CD1-O 3.37Å; L1183-Y1215 HydrophobicContact CD2-CD2 4.05Å; L1183-A1220 PolarHBondContact N-O 2.85Å; L1183-V1221 HydrophobicContact CB-CG1 4.33Å; L1183-V1221 HydrophobicContact CB-CG2 4.39Å; L1183-V1221 HydrophobicContact CD2-CG1 4.34Å; L1183-V1221 HydrophobicContact CG-CG1 4.3Å; L1183-V1221 CarbonylContact O-C 3.58Å; L1183-V1221 VanDerWaalsContact O-CA 3.27Å; L1183-V1221 WeakPolarHBondContact O-CA 3.45Å; L1183-L1222 PolarHBondContact O-N 2.88Å
1184	A	95.4	Very high	79	Confident	2 Å²	2	69.5 Å²	69.5	2%	0.017	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	101.6	163	0	0	0	0	0	108.4	I1182 T1186 F1193 I1208 T1209 N1210	I1182-A1184 PolarHBondContact O-N 3.44Å; A1184-T1186 VanDerWaalsContact C-N 3.34Å; A1184-F1193 HydrophobicContact CB-CB 3.81Å; A1184-F1193 HydrophobicContact CB-CD2 3.43Å; A1184-F1193 VanDerWaalsContact CB-CD2 3.43Å; A1184-F1193 HydrophobicContact CB-CE2 4.23Å; A1184-F1193 HydrophobicContact CB-CG 3.85Å; A1184-I1208 HydrophobicContact CB-CD1 4.09Å; A1184-I1208 HydrophobicContact CB-CG1 3.92Å; A1184-T1209 PolarHBondContact N-O 2.83Å; A1184-N1210 WeakPolarHBondContact CB-OD1 3.41Å
1185	W	93.5	Very high	81.4	Confident	21 Å²	21	65.2 Å²	65.2	8%	0.08	33%	0.333	C	S	.	.			trans	-75.2	-28.8	-179	-167.1	-81	0	0	0	111.8	L1183 R1212 Y1215 V1221 L1222 F1223 D1232 P1234	L1183-W1185 HydrophobicContact CD2-CE3 3.62Å; L1183-W1185 HydrophobicContact CD2-CZ3 3.83Å; L1183-W1185 HydrophobicContact CG-CE3 4.29Å; L1183-W1185 PolarHBondContact O-N 3.41Å; L1183-W1185 VanDerWaalsContact O-N 3.07Å; W1185-R1212 VanDerWaalsContact C-NH1 3.26Å; W1185-R1212 VanDerWaalsContact CD1-NH1 3.29Å; W1185-R1212 PolarHBondContact O-NH1 2.94Å; W1185-R1212 PolarHBondContact O-NH2 3.19Å; W1185-Y1215 HydrophobicContact CE3-CD2 4.17Å; W1185-Y1215 AromaticContact CZ3-CD2 3.57Å; W1185-Y1215 HydrophobicContact CZ3-CD2 3.57Å; W1185-Y1215 HydrophobicContact CZ3-CE2 4.08Å; W1185-Y1215 HydrophobicContact CZ3-CG 4.09Å; W1185-V1221 HydrophobicContact CB-CG1 3.65Å; W1185-V1221 HydrophobicContact CD2-CG1 4.21Å; W1185-V1221 HydrophobicContact CE3-CG1 3.74Å; W1185-V1221 HydrophobicContact CG-CG1 4.23Å; W1185-L1222 WeakPolarHBondContact CA-O 3.46Å; W1185-L1222 WeakPolarHBondContact CB-O 3.43Å; W1185-L1222 PolarHBondContact N-O 2.86Å; W1185-F1223 HydrophobicContact CB-CD1 3.62Å; W1185-F1223 HydrophobicContact CB-CD2 4.29Å; W1185-F1223 HydrophobicContact CB-CE1 3.48Å; W1185-F1223 VanDerWaalsContact CB-CE1 3.48Å; W1185-F1223 HydrophobicContact CB-CE2 4.19Å; W1185-F1223 HydrophobicContact CB-CG 4.03Å; W1185-F1223 HydrophobicContact CB-CZ 3.77Å; W1185-F1223 AromaticContact CD1-CD1 3.51Å; W1185-F1223 AromaticContact CD1-CE1 3.17Å; W1185-F1223 AromaticContact CD2-CE1 3.72Å; W1185-F1223 HydrophobicContact CD2-CE1 3.72Å; W1185-F1223 AromaticContact CD2-CZ 3.94Å; W1185-F1223 HydrophobicContact CD2-CZ 3.94Å; W1185-F1223 HydrophobicContact CE3-CZ 4.43Å; W1185-F1223 AromaticContact CG-CD1 3.62Å; W1185-F1223 HydrophobicContact CG-CD1 3.62Å; W1185-F1223 AromaticContact CG-CE1 3.11Å; W1185-F1223 HydrophobicContact CG-CE1 3.11Å; W1185-F1223 HydrophobicContact CG-CG 4.49Å; W1185-F1223 AromaticContact CG-CZ 3.63Å; W1185-F1223 HydrophobicContact CG-CZ 3.63Å; W1185-F1223 AromaticContact NE1-CE1 3.76Å; W1185-D1232 WeakPolarHBondContact CZ2-O 3.49Å; W1185-D1232 PolarHBondContact NE1-O 2.83Å; W1185-P1234 HydrophobicContact CD2-CG 3.97Å; W1185-P1234 HydrophobicContact CE3-CG 3.86Å; W1185-P1234 HydrophobicContact CH2-CB 3.87Å; W1185-P1234 HydrophobicContact CH2-CG 3.57Å; W1185-P1234 HydrophobicContact CZ2-CB 4.22Å; W1185-P1234 VanDerWaalsContact CZ2-CD 3.49Å; W1185-P1234 HydrophobicContact CZ2-CG 3.67Å; W1185-P1234 HydrophobicContact CZ3-CB 4.22Å; W1185-P1234 HydrophobicContact CZ3-CG 3.67Å
1186	T	92.5	Very high	83.7	Confident	6 Å²	6	64.9 Å²	64.9	4%	0.037	34%	0.335	C	S	.	.	S	Bend	trans	-128	155.5	173.3	64.1	0	0	0	0	108.6	A1184 H1224 I1228	A1184-T1186 VanDerWaalsContact C-N 3.34Å; T1186-H1224 WeakPolarHBondContact OG1-CA 3.43Å; T1186-H1224 VanDerWaalsContact OG1-CB 3.3Å; T1186-H1224 WeakPolarHBondContact OG1-CB 3.29Å; T1186-H1224 PolarHBondContact OG1-N 3.32Å; T1186-H1224 PolarHBondContact OG1-O 3.07Å; T1186-I1228 HydrophobicContact CG2-CG1 3.82Å
1187	P	92.2	Very high	86	Confident	45 Å²	45	60.7 Å²	60.7	29%	0.292	33%	0.327	S	S	.	.			trans	-62.3	171.1	165.6	28.9	-34.5	0	0	0	110.9	G1190 D1191 H1224 D1227	P1187-G1190 VanDerWaalsContact CB-C 3.45Å; P1187-D1191 CarbonylContact C-O 3.52Å; P1187-D1191 VanDerWaalsContact CA-O 3.31Å; P1187-D1191 WeakPolarHBondContact CA-O 3.33Å; P1187-D1191 VanDerWaalsContact CB-O 3.24Å; P1187-D1191 WeakPolarHBondContact CB-O 3.4Å; P1187-H1224 VanDerWaalsContact O-CB 3.25Å; P1187-H1224 WeakPolarHBondContact O-CB 3.48Å; P1187-D1227 HydrophobicContact CG-CB 4.03Å
1188	F	89.3	Confident	87.8	Confident	54 Å²	54	55.1 Å²	55.1	24%	0.237	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-108	102.4	170.4	178.8	-129.3	0	0	0	108.9	G1190 D1191 F1193 H1224 F1246 K1248	F1188-G1190 VanDerWaalsContact C-N 3.32Å; F1188-G1190 PolarHBondContact O-N 3.37Å; F1188-D1191 PolarHBondContact N-O 2.88Å; F1188-D1191 WeakPolarHBondContact O-CB 3.44Å; F1188-D1191 PolarHBondContact O-N 3.04Å; F1188-D1191 VanDerWaalsContact O-N 3.15Å; F1188-F1193 HydrophobicContact CB-CE2 3.8Å; F1188-F1193 HydrophobicContact CB-CZ 3.75Å; F1188-F1193 HydrophobicContact CG-CZ 4.44Å; F1188-H1224 AromaticContact CD2-CD2 3.69Å; F1188-H1224 AromaticContact CD2-CE1 3.69Å; F1188-H1224 AromaticContact CD2-CG 3.89Å; F1188-H1224 AromaticContact CD2-ND1 3.88Å; F1188-H1224 AromaticContact CD2-NE2 3.6Å; F1188-H1224 AromaticContact CE2-NE2 3.66Å; F1188-F1246 HydrophobicContact CB-CE1 4.23Å; F1188-F1246 HydrophobicContact CD2-CD1 4.36Å; F1188-F1246 AromaticContact CD2-CE1 3.3Å; F1188-F1246 HydrophobicContact CD2-CE1 3.3Å; F1188-F1246 AromaticContact CD2-CZ 3.85Å; F1188-F1246 HydrophobicContact CD2-CZ 3.85Å; F1188-F1246 AromaticContact CE2-CE1 3.64Å; F1188-F1246 HydrophobicContact CE2-CE1 3.64Å; F1188-F1246 AromaticContact CE2-CZ 3.81Å; F1188-F1246 HydrophobicContact CE2-CZ 3.81Å; F1188-F1246 AromaticContact CG-CE1 3.82Å; F1188-F1246 HydrophobicContact CG-CE1 3.82Å; F1188-F1246 HydrophobicContact CG-CZ 4.22Å; F1188-F1246 HydrophobicContact CZ-CE1 4.43Å; F1188-F1246 HydrophobicContact CZ-CZ 4.18Å; F1188-K1248 HydrophobicContact CE2-CB 4.41Å; F1188-K1248 HydrophobicContact CE2-CG 4.44Å; F1188-K1248 HydrophobicContact CZ-CB 4.29Å; F1188-K1248 HydrophobicContact CZ-CD 4.03Å; F1188-K1248 HydrophobicContact CZ-CG 4.2Å
1189	F	86.2	Confident	88.5	Confident	71 Å²	71	57.7 Å²	57.7	31%	0.311	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	40	-173	-56.8	-67.9	0	0	0	113.5	D1191 H1224 D1227 E1249	F1189-D1191 PolarHBondContact O-N 2.88Å; F1189-H1224 AromaticContact CD1-CE1 3.76Å; F1189-H1224 AromaticContact CE1-CE1 3.69Å; F1189-D1227 PolarHBondContact N-OD2 3.3Å; F1189-E1249 HydrophobicContact CE1-CG 3.48Å; F1189-E1249 VanDerWaalsContact CE1-CG 3.48Å; F1189-E1249 VanDerWaalsContact CE1-OE1 3.25Å; F1189-E1249 WeakPolarHBondContact CE1-OE1 3.28Å; F1189-E1249 HydrophobicContact CZ-CG 3.3Å
1190	G	84.7	Confident	88.5	Confident	47 Å²	47	63 Å²	63	49%	0.485	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-16.9	-174.7	0	0	0	0	0	114.6	P1187 F1188 D1227	P1187-G1190 VanDerWaalsContact CB-C 3.45Å; F1188-G1190 VanDerWaalsContact C-N 3.32Å; F1188-G1190 PolarHBondContact O-N 3.37Å; G1190-D1227 PolarHBondContact N-OD1 2.02Å
1191	D	89.1	Confident	87.8	Confident	115 Å²	115	60.1 Å²	60.1	62%	0.615	32%	0.32	S	S	*	.	B	Isolated β-bridge	trans	-83.3	125	178.2	-67.5	-38.4	0	0	0	111.8	P1187 F1188 F1189	P1187-D1191 CarbonylContact C-O 3.52Å; P1187-D1191 VanDerWaalsContact CA-O 3.31Å; P1187-D1191 WeakPolarHBondContact CA-O 3.33Å; P1187-D1191 VanDerWaalsContact CB-O 3.24Å; P1187-D1191 WeakPolarHBondContact CB-O 3.4Å; F1188-D1191 PolarHBondContact N-O 2.88Å; F1188-D1191 WeakPolarHBondContact O-CB 3.44Å; F1188-D1191 PolarHBondContact O-N 3.04Å; F1188-D1191 VanDerWaalsContact O-N 3.15Å; F1189-D1191 PolarHBondContact O-N 2.88Å
1192	P	91.6	Very high	86.7	Confident	90 Å²	90	60.4 Å²	60.4	58%	0.584	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-67	149.1	175.7	28.5	-33.6	0	0	0	110.8
1193	F	91.9	Very high	85.4	Confident	25 Å²	25	59.1 Å²	59.1	11%	0.11	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-73.7	142.2	174.9	-77.4	-93	0	0	0	111	A1184 F1188 V1197 I1208 N1210 L1222 F1246	A1184-F1193 HydrophobicContact CB-CB 3.81Å; A1184-F1193 HydrophobicContact CB-CD2 3.43Å; A1184-F1193 VanDerWaalsContact CB-CD2 3.43Å; A1184-F1193 HydrophobicContact CB-CE2 4.23Å; A1184-F1193 HydrophobicContact CB-CG 3.85Å; F1188-F1193 HydrophobicContact CB-CE2 3.8Å; F1188-F1193 HydrophobicContact CB-CZ 3.75Å; F1188-F1193 HydrophobicContact CG-CZ 4.44Å; F1193-V1197 HydrophobicContact CD1-CG1 3.81Å; F1193-V1197 HydrophobicContact CE1-CG1 4.34Å; F1193-I1208 HydrophobicContact CB-CD1 3.57Å; F1193-I1208 HydrophobicContact CB-CG1 3.79Å; F1193-I1208 HydrophobicContact CB-CG2 4.11Å; F1193-I1208 HydrophobicContact CD1-CD1 3.56Å; F1193-I1208 HydrophobicContact CD2-CD1 4.46Å; F1193-I1208 HydrophobicContact CE1-CD1 4.34Å; F1193-I1208 HydrophobicContact CG-CD1 3.62Å; F1193-I1208 HydrophobicContact CG-CG1 4.34Å; F1193-N1210 PolarHBondContact N-OD1 2.65Å; F1193-N1210 VanDerWaalsContact N-OD1 3.1Å; F1193-N1210 PolarHBondContact O-ND2 3.19Å; F1193-L1222 HydrophobicContact CD1-CD2 4.49Å; F1193-L1222 HydrophobicContact CE1-CD2 3.9Å; F1193-L1222 HydrophobicContact CE2-CD2 4.03Å; F1193-L1222 HydrophobicContact CZ-CD2 3.61Å; F1193-F1246 HydrophobicContact CE1-CE1 4.35Å; F1193-F1246 HydrophobicContact CE1-CZ 4.37Å; F1193-F1246 HydrophobicContact CE2-CE1 4.47Å; F1193-F1246 HydrophobicContact CZ-CD1 4.06Å; F1193-F1246 AromaticContact CZ-CE1 3.55Å; F1193-F1246 HydrophobicContact CZ-CE1 3.55Å; F1193-F1246 HydrophobicContact CZ-CZ 4Å
1194	D	91.4	Very high	84.5	Confident	91 Å²	91	61.6 Å²	61.6	49%	0.487	34%	0.335	S	S	.	.			trans	-124.8	170.2	168	71.4	15.7	0	0	0	110.7	S1196 V1197 I1208	D1194-S1196 PolarHBondContact O-N 3.18Å; D1194-S1196 WeakPolarHBondContact OD1-CA 3.48Å; D1194-S1196 WeakPolarHBondContact OD1-CB 3.45Å; D1194-S1196 PolarHBondContact OD1-N 2.93Å; D1194-S1196 PolarHBondContact OD1-OG 2.82Å; D1194-V1197 WeakPolarHBondContact O-CG2 3.37Å; D1194-V1197 PolarHBondContact O-N 3.4Å; D1194-I1208 WeakPolarHBondContact O-CG2 3.39Å
1195	N	87.2	Confident	83.9	Confident	74 Å²	74	63.8 Å²	63.8	40%	0.396	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-67.7	-0.8	179.6	-78.5	-49.4	0	0	0	113.8	V1197 F1198 E1207 I1208	N1195-V1197 PolarHBondContact O-N 3.03Å; N1195-F1198 PolarHBondContact O-N 2.99Å; N1195-E1207 VanDerWaalsContact OD1-CA 3.28Å; N1195-E1207 WeakPolarHBondContact OD1-CA 3.4Å; N1195-I1208 PolarHBondContact OD1-N 2.9Å
1196	S	86.4	Confident	83.6	Confident	47 Å²	47	64.1 Å²	64.1	33%	0.329	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-70.4	-16.8	172.8	88.7	0	0	0	0	112.5	D1194 F1198 R1199	D1194-S1196 PolarHBondContact O-N 3.18Å; D1194-S1196 WeakPolarHBondContact OD1-CA 3.48Å; D1194-S1196 WeakPolarHBondContact OD1-CB 3.45Å; D1194-S1196 PolarHBondContact OD1-N 2.93Å; D1194-S1196 PolarHBondContact OD1-OG 2.82Å; S1196-F1198 PolarHBondContact O-N 2.84Å; S1196-R1199 WeakPolarHBondContact O-CB 3.29Å; S1196-R1199 PolarHBondContact O-N 3.24Å
1197	V	84.7	Confident	83.5	Confident	72 Å²	72	64.8 Å²	64.8	44%	0.436	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-60	-24.9	170.1	-59.8	0	0	0	0	112.4	F1193 D1194 N1195 R1199 I1208	F1193-V1197 HydrophobicContact CD1-CG1 3.81Å; F1193-V1197 HydrophobicContact CE1-CG1 4.34Å; D1194-V1197 WeakPolarHBondContact O-CG2 3.37Å; D1194-V1197 PolarHBondContact O-N 3.4Å; N1195-V1197 PolarHBondContact O-N 3.03Å; V1197-R1199 VanDerWaalsContact C-N 3.32Å; V1197-I1208 HydrophobicContact CG2-CD1 4.39Å; V1197-I1208 HydrophobicContact CG2-CG2 4.04Å
1198	F	82.7	Confident	83.6	Confident	31 Å²	31	63.3 Å²	63.3	14%	0.136	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-89.5	12.6	173.8	-55.9	-70.4	0	0	0	112.9	I1182 N1195 S1196 M1200 C1201 P1202 V1204 C1206 I1208	I1182-F1198 HydrophobicContact CD1-CZ 4.14Å; N1195-F1198 PolarHBondContact O-N 2.99Å; S1196-F1198 PolarHBondContact O-N 2.84Å; F1198-M1200 PolarHBondContact O-N 2.99Å; F1198-C1201 CarbonylContact O-C 3.55Å; F1198-C1201 WeakPolarHBondContact O-CA 3.43Å; F1198-C1201 PolarHBondContact O-N 3.39Å; F1198-P1202 WeakPolarHBondContact O-CA 3.35Å; F1198-P1202 WeakPolarHBondContact O-CB 3.36Å; F1198-P1202 WeakPolarHBondContact O-CD 3.45Å; F1198-V1204 HydrophobicContact CB-CG2 4.31Å; F1198-V1204 HydrophobicContact CD1-CG2 3.44Å; F1198-V1204 VanDerWaalsContact CD1-CG2 3.44Å; F1198-V1204 HydrophobicContact CE1-CG2 4.03Å; F1198-V1204 HydrophobicContact CG-CG2 4.08Å; F1198-C1206 HydrophobicContact CE1-CB 3.97Å; F1198-C1206 HydrophobicContact CZ-CB 3.87Å; F1198-I1208 HydrophobicContact CE2-CB 3.84Å; F1198-I1208 HydrophobicContact CE2-CG2 4.03Å; F1198-I1208 HydrophobicContact CZ-CB 4.36Å
1199	R	79.6	Confident	83.8	Confident	187 Å²	187	62 Å²	62	71%	0.706	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-30.6	-175.9	-175	-168	-33.5	177.2	5.6	114.3	S1196 V1197 P1202	S1196-R1199 WeakPolarHBondContact O-CB 3.29Å; S1196-R1199 PolarHBondContact O-N 3.24Å; V1197-R1199 VanDerWaalsContact C-N 3.32Å; R1199-P1202 VanDerWaalsContact O-CD 3.26Å; R1199-P1202 WeakPolarHBondContact O-CD 3.4Å
1200	M	74.1	Confident	84.2	Confident	175 Å²	175	61.7 Å²	61.7	86%	0.862	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-10.5	175	-66.5	-168.4	71.9	0	0	113.8	F1198 P1202	F1198-M1200 PolarHBondContact O-N 2.99Å; M1200-P1202 VanDerWaalsContact C-CD 3.48Å
1201	C	71.4	Confident	84.6	Confident	41 Å²	41	62.9 Å²	62.9	28%	0.277	34%	0.34	S	S	.	.	S	Bend	trans	-138.5	45.3	177.8	52.7	0	0	0	0	113.3	D1146 F1198 X1203 V1204	D1146-C1201 WeakPolarHBondContact OD2-CA 3.41Å; F1198-C1201 CarbonylContact O-C 3.55Å; F1198-C1201 WeakPolarHBondContact O-CA 3.43Å; F1198-C1201 PolarHBondContact O-N 3.39Å; C1201-A1203 PolarHBondContact O-N 3.2Å; C1201-V1204 HydrophobicContact CB-CG1 4.24Å; C1201-V1204 HydrophobicContact CB-CG2 4.34Å; C1201-V1204 WeakPolarHBondContact O-CG2 3.36Å; C1201-V1204 PolarHBondContact O-N 2.93Å
1202	P	65.7	Low	84.7	Confident	41 Å²	41	61.2 Å²	61.2	27%	0.266	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	3.3	-167	27.3	-33.8	0	0	0	114.5	D1146 K1149 F1198 R1199 M1200	D1146-P1202 HydrophobicContact CB-CG 4.34Å; D1146-P1202 VanDerWaalsContact OD1-C 3.27Å; D1146-P1202 WeakPolarHBondContact OD1-CG 3.45Å; D1146-P1202 WeakPolarHBondContact OD2-CD 3.36Å; K1149-P1202 HydrophobicContact CD-CG 3.74Å; K1149-P1202 PolarHBondContact NZ-O 3.44Å; F1198-P1202 WeakPolarHBondContact O-CA 3.35Å; F1198-P1202 WeakPolarHBondContact O-CB 3.36Å; F1198-P1202 WeakPolarHBondContact O-CD 3.45Å; R1199-P1202 VanDerWaalsContact O-CD 3.26Å; R1199-P1202 WeakPolarHBondContact O-CD 3.4Å; M1200-P1202 VanDerWaalsContact C-CD 3.48Å
1203	X	69.3	Low	84.6	Confident	6 Å²	6	65.8 Å²	65.8	5%	0.05	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-10.2	170.1	0	0	0	0	0	113.6	P970 P971 A973 D1146 C1201	P970-A1203 WeakPolarHBondContact O-CB 3.4Å; P971-A1203 WeakPolarHBondContact O-CB 3.43Å; A973-A1203 HydrophobicContact CB-CB 4.21Å; D1146-A1203 VanDerWaalsContact CG-CB 3.49Å; D1146-A1203 VanDerWaalsContact CG-N 3.29Å; D1146-A1203 WeakPolarHBondContact OD1-CA 3.44Å; D1146-A1203 WeakPolarHBondContact OD1-CB 3.47Å; D1146-A1203 PolarHBondContact OD1-N 3.22Å; D1146-A1203 WeakPolarHBondContact OD2-CB 3.46Å; D1146-A1203 PolarHBondContact OD2-N 3.28Å; C1201-A1203 PolarHBondContact O-N 3.2Å
1204	V	75	Confident	84.5	Confident	53 Å²	53	66.7 Å²	66.7	32%	0.321	34%	0.34	S	S	.	.	S	Bend	trans	-60.6	129.4	171.2	-73.3	0	0	0	0	108.4	F1198 C1201 C1206	F1198-V1204 HydrophobicContact CB-CG2 4.31Å; F1198-V1204 HydrophobicContact CD1-CG2 3.44Å; F1198-V1204 VanDerWaalsContact CD1-CG2 3.44Å; F1198-V1204 HydrophobicContact CE1-CG2 4.03Å; F1198-V1204 HydrophobicContact CG-CG2 4.08Å; C1201-V1204 HydrophobicContact CB-CG1 4.24Å; C1201-V1204 HydrophobicContact CB-CG2 4.34Å; C1201-V1204 WeakPolarHBondContact O-CG2 3.36Å; C1201-V1204 PolarHBondContact O-N 2.93Å; V1204-C1206 HydrophobicContact CG2-CB 4.34Å; V1204-C1206 PolarHBondContact O-N 2.83Å
1205	P	83.5	Confident	84.5	Confident	48 Å²	48	63.9 Å²	63.9	31%	0.312	32%	0.323	S	S	.	.	S	Bend	trans	-76.5	41.8	-179.2	34.3	-37.4	0	0	0	110.7	R1179 F1180	R1179-P1205 CarbonylContact C-O 3.57Å; R1179-P1205 VanDerWaalsContact CA-O 3.26Å; R1179-P1205 WeakPolarHBondContact CA-O 3.37Å; F1180-P1205 HydrophobicContact CD2-CG 4.4Å; F1180-P1205 HydrophobicContact CE2-CG 4.49Å; F1180-P1205 PolarHBondContact N-O 2.81Å
1206	C	87.1	Confident	84.5	Confident	28 Å²	28	65.6 Å²	65.6	19%	0.189	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.7	174.1	-65.5	0	0	0	0	108.6	F1180 I1182 F1198 V1204	F1180-C1206 VanDerWaalsContact O-CA 3.3Å; F1180-C1206 WeakPolarHBondContact O-CA 3.42Å; I1182-C1206 HydrophobicContact CD1-CB 4.19Å; F1198-C1206 HydrophobicContact CE1-CB 3.97Å; F1198-C1206 HydrophobicContact CZ-CB 3.87Å; V1204-C1206 HydrophobicContact CG2-CB 4.34Å; V1204-C1206 PolarHBondContact O-N 2.83Å
1207	E	90.4	Very high	84.6	Confident	20 Å²	20	67.3 Å²	67.3	9%	0.093	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.7	160.4	63.5	-177.4	-170.8	0	0	107.7	R1179 F1180 K1181 I1182 N1195	R1179-E1207 HydrophobicContact CB-CB 4.25Å; R1179-E1207 HydrophobicContact CB-CG 3.88Å; F1180-E1207 PolarHBondContact O-N 3.2Å; K1181-E1207 WeakPolarHBondContact CA-O 3.37Å; K1181-E1207 WeakPolarHBondContact CE-OE1 3.37Å; K1181-E1207 HydrophobicContact CG-CG 3.9Å; K1181-E1207 WeakPolarHBondContact CG-OE1 3.49Å; I1182-E1207 PolarHBondContact N-O 3.49Å; N1195-E1207 VanDerWaalsContact OD1-CA 3.28Å; N1195-E1207 WeakPolarHBondContact OD1-CA 3.4Å
1208	I	93.6	Very high	84.9	Confident	13 Å²	13	63.9 Å²	63.9	7%	0.067	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	136.6	171.5	-163.1	153.3	0	0	0	107.9	I1182 A1184 F1193 D1194 N1195 V1197 F1198 L1222	I1182-I1208 VanDerWaalsContact O-CA 3.28Å; I1182-I1208 WeakPolarHBondContact O-CA 3.38Å; A1184-I1208 HydrophobicContact CB-CD1 4.09Å; A1184-I1208 HydrophobicContact CB-CG1 3.92Å; F1193-I1208 HydrophobicContact CB-CD1 3.57Å; F1193-I1208 HydrophobicContact CB-CG1 3.79Å; F1193-I1208 HydrophobicContact CB-CG2 4.11Å; F1193-I1208 HydrophobicContact CD1-CD1 3.56Å; F1193-I1208 HydrophobicContact CD2-CD1 4.46Å; F1193-I1208 HydrophobicContact CE1-CD1 4.34Å; F1193-I1208 HydrophobicContact CG-CD1 3.62Å; F1193-I1208 HydrophobicContact CG-CG1 4.34Å; D1194-I1208 WeakPolarHBondContact O-CG2 3.39Å; N1195-I1208 PolarHBondContact OD1-N 2.9Å; V1197-I1208 HydrophobicContact CG2-CD1 4.39Å; V1197-I1208 HydrophobicContact CG2-CG2 4.04Å; F1198-I1208 HydrophobicContact CE2-CB 3.84Å; F1198-I1208 HydrophobicContact CE2-CG2 4.03Å; F1198-I1208 HydrophobicContact CZ-CB 4.36Å; I1208-L1222 HydrophobicContact CD1-CD2 4.18Å
1209	T	94.2	Very high	85.3	Confident	28 Å²	28	67 Å²	67	17%	0.172	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	146.7	176.8	-179.7	0	0	0	0	108.5	K1181 I1182 L1183 A1184 D1211 E1214	K1181-T1209 HydrophobicContact CB-CG2 4.42Å; I1182-T1209 PolarHBondContact O-N 3.16Å; L1183-T1209 CarbonylContact C-O 3.44Å; L1183-T1209 WeakPolarHBondContact CA-O 3.36Å; L1183-T1209 HydrophobicContact CD1-CG2 4.15Å; L1183-T1209 WeakPolarHBondContact CD1-O 3.47Å; A1184-T1209 PolarHBondContact N-O 2.83Å; T1209-D1211 WeakPolarHBondContact OG1-CB 3.45Å; T1209-D1211 PolarHBondContact OG1-N 3.18Å; T1209-D1211 VanDerWaalsContact OG1-N 3.08Å; T1209-E1214 HydrophobicContact CG2-CB 4.12Å; T1209-E1214 HydrophobicContact CG2-CG 4.45Å
1210	N	94.8	Very high	86.1	Confident	63 Å²	63	58.7 Å²	58.7	34%	0.337	30%	0.304	S	S	.	.			trans	-99.6	0.7	169.7	-49.1	-79.9	0	0	0	111.3	A1184 F1193 R1212	A1184-N1210 WeakPolarHBondContact CB-OD1 3.41Å; F1193-N1210 PolarHBondContact N-OD1 2.65Å; F1193-N1210 VanDerWaalsContact N-OD1 3.1Å; F1193-N1210 PolarHBondContact O-ND2 3.19Å; N1210-R1212 PolarHBondContact O-N 3.12Å
1211	D	93.7	Very high	87	Confident	73 Å²	73	50.3 Å²	50.3	39%	0.39	26%	0.263	S	S	.	.			trans	-76.7	108.1	-177.2	-173.1	-7.3	0	0	0	111.8	L1183 T1209 K1213 E1214	L1183-D1211 VanDerWaalsContact CD1-O 3.31Å; L1183-D1211 WeakPolarHBondContact CD1-O 3.37Å; T1209-D1211 WeakPolarHBondContact OG1-CB 3.45Å; T1209-D1211 PolarHBondContact OG1-N 3.18Å; T1209-D1211 VanDerWaalsContact OG1-N 3.08Å; D1211-K1213 PolarHBondContact O-N 3.23Å; D1211-K1213 VanDerWaalsContact O-N 3.09Å; D1211-K1213 WeakPolarHBondContact OD1-CB 3.29Å; D1211-K1213 WeakPolarHBondContact OD1-CG 3.45Å; D1211-K1213 PolarHBondContact OD1-N 3.04Å; D1211-E1214 HydrophobicContact CB-CG 4.27Å; D1211-E1214 WeakPolarHBondContact O-CB 3.42Å; D1211-E1214 PolarHBondContact O-N 3.14Å
1212	R	89.4	Confident	88.1	Confident	79 Å²	79	48.8 Å²	48.8	30%	0.298	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-50.7	-30.5	176.3	-70.5	-78.1	-169.7	-111.3	-4.9	114.2	W1185 N1210 E1214 Y1215 D1232	W1185-R1212 VanDerWaalsContact C-NH1 3.26Å; W1185-R1212 VanDerWaalsContact CD1-NH1 3.29Å; W1185-R1212 PolarHBondContact O-NH1 2.94Å; W1185-R1212 PolarHBondContact O-NH2 3.19Å; N1210-R1212 PolarHBondContact O-N 3.12Å; R1212-E1214 PolarHBondContact O-N 3Å; R1212-Y1215 WeakPolarHBondContact O-CB 3.35Å; R1212-Y1215 PolarHBondContact O-N 3.32Å; R1212-D1232 IonicContact CZ-OD2 3.01Å; R1212-D1232 IonicContact NE-OD1 3.09Å; R1212-D1232 IonicContact NE-OD2 4Å; R1212-D1232 PolarHBondContact NE-OD2 3.02Å; R1212-D1232 IonicContact NH2-OD2 3.08Å; R1212-D1232 PolarHBondContact NH2-OD2 3.18Å
1213	K	90.8	Very high	89.4	Confident	187 Å²	187	46.8 Å²	46.8	81%	0.813	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-65	-20.7	-179	-63	175	-176.6	176.2	0	112.4	D1211 Y1215	D1211-K1213 PolarHBondContact O-N 3.23Å; D1211-K1213 VanDerWaalsContact O-N 3.09Å; D1211-K1213 WeakPolarHBondContact OD1-CB 3.29Å; D1211-K1213 WeakPolarHBondContact OD1-CG 3.45Å; D1211-K1213 PolarHBondContact OD1-N 3.04Å; K1213-Y1215 VanDerWaalsContact C-N 3.27Å; K1213-Y1215 PolarHBondContact O-N 2.94Å
1214	E	90	Very high	90.4	Very high	44 Å²	44	46.5 Å²	46.5	21%	0.206	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-87	9.6	179.6	-60.9	-72.7	-167.6	0	0	113.2	K1181 T1209 D1211 R1212 N1216 T1217 S1218	K1181-E1214 HydrophobicContact CD-CB 4.14Å; K1181-E1214 HydrophobicContact CD-CG 4.15Å; K1181-E1214 WeakPolarHBondContact CD-OE2 3.38Å; K1181-E1214 IonicContact NZ-OE1 3.91Å; K1181-E1214 PolarHBondContact NZ-OE1 3.05Å; K1181-E1214 IonicContact NZ-OE2 3.95Å; K1181-E1214 PolarHBondContact NZ-OE2 3.44Å; T1209-E1214 HydrophobicContact CG2-CB 4.12Å; T1209-E1214 HydrophobicContact CG2-CG 4.45Å; D1211-E1214 HydrophobicContact CB-CG 4.27Å; D1211-E1214 WeakPolarHBondContact O-CB 3.42Å; D1211-E1214 PolarHBondContact O-N 3.14Å; R1212-E1214 PolarHBondContact O-N 3Å; E1214-N1216 PolarHBondContact O-N 2.98Å; E1214-T1217 WeakPolarHBondContact CA-OG1 3.37Å; E1214-T1217 PolarHBondContact O-N 3.1Å; E1214-T1217 PolarHBondContact O-OG1 3.42Å; E1214-T1217 PolarHBondContact OE2-OG1 3.41Å; E1214-S1218 WeakPolarHBondContact O-CB 3.41Å; E1214-S1218 PolarHBondContact O-N 3.09Å; E1214-S1218 PolarHBondContact O-OG 3Å
1215	Y	90.9	Very high	90.9	Very high	31 Å²	31	44 Å²	44	12%	0.122	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-53.8	179.8	177.3	-113.3	0	0	0	112.1	L1183 W1185 R1212 K1213 T1217 S1218 V1221 P1234 K1236 L1238 M1241 Y1243	L1183-Y1215 HydrophobicContact CD2-CD2 4.05Å; W1185-Y1215 HydrophobicContact CE3-CD2 4.17Å; W1185-Y1215 AromaticContact CZ3-CD2 3.57Å; W1185-Y1215 HydrophobicContact CZ3-CD2 3.57Å; W1185-Y1215 HydrophobicContact CZ3-CE2 4.08Å; W1185-Y1215 HydrophobicContact CZ3-CG 4.09Å; R1212-Y1215 WeakPolarHBondContact O-CB 3.35Å; R1212-Y1215 PolarHBondContact O-N 3.32Å; K1213-Y1215 VanDerWaalsContact C-N 3.27Å; K1213-Y1215 PolarHBondContact O-N 2.94Å; Y1215-T1217 VanDerWaalsContact C-N 3.28Å; Y1215-T1217 PolarHBondContact O-N 3.13Å; Y1215-S1218 PolarHBondContact O-N 3.18Å; Y1215-V1221 HydrophobicContact CD2-CG2 3.98Å; Y1215-V1221 HydrophobicContact CE2-CG2 3.93Å; Y1215-P1234 HydrophobicContact CE1-CB 4.22Å; Y1215-P1234 HydrophobicContact CE2-CB 3.72Å; Y1215-P1234 HydrophobicContact CE2-CG 3.8Å; Y1215-P1234 WeakPolarHBondContact OH-CB 3.27Å; Y1215-K1236 PolarHBondContact OH-O 2.82Å; Y1215-L1238 HydrophobicContact CD1-CD1 4Å; Y1215-L1238 HydrophobicContact CE1-CD1 3.53Å; Y1215-L1238 HydrophobicContact CE1-CG 4.11Å; Y1215-M1241 WeakPolarHBondContact O-CE 3.47Å; Y1215-M1241 VanDerWaalsContact O-SD 3.34Å; Y1215-Y1243 AromaticContact CE2-CE1 3.99Å; Y1215-Y1243 HydrophobicContact CE2-CE1 3.99Å; Y1215-Y1243 PolarHBondContact OH-OH 3.24Å
1216	N	87.1	Confident	91	Very high	110 Å²	110	46.6 Å²	46.6	59%	0.588	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.1	-175.5	-71.5	-20.2	0	0	0	114.2	E1214 L1238 H1240 M1241	E1214-N1216 PolarHBondContact O-N 2.98Å; N1216-L1238 WeakPolarHBondContact OD1-CD1 3.46Å; N1216-H1240 PolarHBondContact O-NE2 3.23Å; N1216-M1241 VanDerWaalsContact O-CE 3.31Å; N1216-M1241 WeakPolarHBondContact O-CE 3.48Å
1217	T	87.6	Confident	91.1	Very high	84 Å²	84	47.4 Å²	47.4	52%	0.515	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-16.4	-176.7	54.4	0	0	0	0	112.8	E1214 Y1215	E1214-T1217 WeakPolarHBondContact CA-OG1 3.37Å; E1214-T1217 PolarHBondContact O-N 3.1Å; E1214-T1217 PolarHBondContact O-OG1 3.42Å; E1214-T1217 PolarHBondContact OE2-OG1 3.41Å; Y1215-T1217 VanDerWaalsContact C-N 3.28Å; Y1215-T1217 PolarHBondContact O-N 3.13Å
1218	S	92.1	Very high	90.8	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.225	C	C	.	.			trans	-70.2	156.9	179.3	-66.8	0	0	0	0	112.4	K1181 E1214 Y1215 M1241	K1181-S1218 WeakPolarHBondContact CB-OG 3.38Å; K1181-S1218 CarbonylContact O-C 3.56Å; K1181-S1218 WeakPolarHBondContact O-CA 3.18Å; K1181-S1218 WeakPolarHBondContact O-CB 3.29Å; E1214-S1218 WeakPolarHBondContact O-CB 3.41Å; E1214-S1218 PolarHBondContact O-N 3.09Å; E1214-S1218 PolarHBondContact O-OG 3Å; Y1215-S1218 PolarHBondContact O-N 3.18Å; S1218-M1241 WeakPolarHBondContact O-CE 3.02Å; S1218-M1241 VanDerWaalsContact O-CG 3.25Å; S1218-M1241 WeakPolarHBondContact O-CG 3.46Å
1219	K	91.6	Very high	90.4	Very high	97 Å²	97	50.8 Å²	50.8	42%	0.422	25%	0.247	S	C	.	.	S	Bend	trans	-99.1	-23.7	174	-69	-58.9	-172.4	-176.9	0	112.7	F1180 K1181 M1241 H1242	F1180-K1219 HydrophobicContact CB-CB 4.26Å; F1180-K1219 HydrophobicContact CB-CG 3.86Å; F1180-K1219 HydrophobicContact CD1-CD 4.32Å; F1180-K1219 HydrophobicContact CD1-CG 3.57Å; F1180-K1219 HydrophobicContact CE1-CG 4.45Å; F1180-K1219 HydrophobicContact CG-CG 3.99Å; K1181-K1219 PolarHBondContact O-N 3.3Å; K1219-M1241 VanDerWaalsContact O-CA 3.3Å; K1219-M1241 WeakPolarHBondContact O-CA 2.85Å; K1219-H1242 PolarHBondContact O-N 2.84Å; K1219-H1242 VanDerWaalsContact O-N 3.12Å
1220	A	94.8	Very high	89.4	Confident	11 Å²	11	52 Å²	52	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.5	175.2	0	0	0	0	0	110.6	I1182 L1183 H1242 I1244	I1182-A1220 WeakPolarHBondContact CA-O 3.48Å; I1182-A1220 HydrophobicContact CG2-CB 4.4Å; L1183-A1220 PolarHBondContact N-O 2.85Å; A1220-H1242 CarbonylContact C-O 3.6Å; A1220-H1242 WeakPolarHBondContact CA-O 3.37Å; A1220-H1242 HydrophobicContact CB-CB 4.27Å; A1220-I1244 HydrophobicContact CB-CD1 3.88Å
1221	V	94.6	Very high	88.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	121.8	177.5	-169.9	0	0	0	0	108.3	L1183 W1185 Y1215 F1223 M1241 H1242 Y1243 I1244	L1183-V1221 HydrophobicContact CB-CG1 4.33Å; L1183-V1221 HydrophobicContact CB-CG2 4.39Å; L1183-V1221 HydrophobicContact CD2-CG1 4.34Å; L1183-V1221 HydrophobicContact CG-CG1 4.3Å; L1183-V1221 CarbonylContact O-C 3.58Å; L1183-V1221 VanDerWaalsContact O-CA 3.27Å; L1183-V1221 WeakPolarHBondContact O-CA 3.45Å; W1185-V1221 HydrophobicContact CB-CG1 3.65Å; W1185-V1221 HydrophobicContact CD2-CG1 4.21Å; W1185-V1221 HydrophobicContact CE3-CG1 3.74Å; W1185-V1221 HydrophobicContact CG-CG1 4.23Å; Y1215-V1221 HydrophobicContact CD2-CG2 3.98Å; Y1215-V1221 HydrophobicContact CE2-CG2 3.93Å; V1221-F1223 HydrophobicContact CB-CE2 3.72Å; V1221-F1223 HydrophobicContact CB-CZ 4.28Å; V1221-F1223 HydrophobicContact CG1-CD2 4.13Å; V1221-F1223 HydrophobicContact CG1-CE1 4.46Å; V1221-F1223 HydrophobicContact CG1-CE2 3.27Å; V1221-F1223 HydrophobicContact CG1-CZ 3.46Å; V1221-F1223 VanDerWaalsContact CG1-CZ 3.46Å; V1221-M1241 HydrophobicContact CG2-SD 4.3Å; V1221-H1242 PolarHBondContact N-O 3.38Å; V1221-Y1243 HydrophobicContact CB-CD1 4.28Å; V1221-Y1243 HydrophobicContact CB-CE1 4.45Å; V1221-Y1243 HydrophobicContact CG2-CE1 4.32Å; V1221-I1244 PolarHBondContact O-N 2.7Å
1222	L	94.1	Very high	88.2	Confident	8 Å²	8	57.8 Å²	57.8	4%	0.042	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	129.1	-174	-172.2	73	0	0	0	110.3	I1182 L1183 W1185 F1193 I1208 I1244 F1246 M1268	I1182-L1222 HydrophobicContact CG2-CB 4.32Å; L1183-L1222 PolarHBondContact O-N 2.88Å; W1185-L1222 WeakPolarHBondContact CA-O 3.46Å; W1185-L1222 WeakPolarHBondContact CB-O 3.43Å; W1185-L1222 PolarHBondContact N-O 2.86Å; F1193-L1222 HydrophobicContact CD1-CD2 4.49Å; F1193-L1222 HydrophobicContact CE1-CD2 3.9Å; F1193-L1222 HydrophobicContact CE2-CD2 4.03Å; F1193-L1222 HydrophobicContact CZ-CD2 3.61Å; I1208-L1222 HydrophobicContact CD1-CD2 4.18Å; L1222-I1244 HydrophobicContact CD1-CB 3.77Å; L1222-I1244 HydrophobicContact CD1-CD1 4.4Å; L1222-I1244 HydrophobicContact CD1-CG2 3.6Å; L1222-F1246 HydrophobicContact CD1-CB 3.5Å; L1222-F1246 VanDerWaalsContact CD1-CB 3.5Å; L1222-F1246 HydrophobicContact CD1-CG 4.11Å; L1222-F1246 HydrophobicContact CD2-CG 4.47Å; L1222-F1246 HydrophobicContact CG-CB 3.99Å; L1222-F1246 HydrophobicContact CG-CG 4.36Å; L1222-M1268 HydrophobicContact CD1-CE 3.9Å
1223	F	92.1	Very high	87.9	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.5	179	-57.3	-109.7	0	0	0	109.9	W1185 V1221 P1225 I1228 M1233 P1234 Y1243 I1244 F1246 F1263 F1264	W1185-F1223 HydrophobicContact CB-CD1 3.62Å; W1185-F1223 HydrophobicContact CB-CD2 4.29Å; W1185-F1223 HydrophobicContact CB-CE1 3.48Å; W1185-F1223 VanDerWaalsContact CB-CE1 3.48Å; W1185-F1223 HydrophobicContact CB-CE2 4.19Å; W1185-F1223 HydrophobicContact CB-CG 4.03Å; W1185-F1223 HydrophobicContact CB-CZ 3.77Å; W1185-F1223 AromaticContact CD1-CD1 3.51Å; W1185-F1223 AromaticContact CD1-CE1 3.17Å; W1185-F1223 AromaticContact CD2-CE1 3.72Å; W1185-F1223 HydrophobicContact CD2-CE1 3.72Å; W1185-F1223 AromaticContact CD2-CZ 3.94Å; W1185-F1223 HydrophobicContact CD2-CZ 3.94Å; W1185-F1223 HydrophobicContact CE3-CZ 4.43Å; W1185-F1223 AromaticContact CG-CD1 3.62Å; W1185-F1223 HydrophobicContact CG-CD1 3.62Å; W1185-F1223 AromaticContact CG-CE1 3.11Å; W1185-F1223 HydrophobicContact CG-CE1 3.11Å; W1185-F1223 HydrophobicContact CG-CG 4.49Å; W1185-F1223 AromaticContact CG-CZ 3.63Å; W1185-F1223 HydrophobicContact CG-CZ 3.63Å; W1185-F1223 AromaticContact NE1-CE1 3.76Å; V1221-F1223 HydrophobicContact CB-CE2 3.72Å; V1221-F1223 HydrophobicContact CB-CZ 4.28Å; V1221-F1223 HydrophobicContact CG1-CD2 4.13Å; V1221-F1223 HydrophobicContact CG1-CE1 4.46Å; V1221-F1223 HydrophobicContact CG1-CE2 3.27Å; V1221-F1223 HydrophobicContact CG1-CZ 3.46Å; V1221-F1223 VanDerWaalsContact CG1-CZ 3.46Å; F1223-P1225 WeakPolarHBondContact O-CD 3.47Å; F1223-I1228 HydrophobicContact CB-CD1 3.93Å; F1223-I1228 HydrophobicContact CB-CG1 4.27Å; F1223-I1228 HydrophobicContact CD1-CD1 4.29Å; F1223-I1228 HydrophobicContact CD1-CG1 4.37Å; F1223-M1233 HydrophobicContact CD1-CE 4.06Å; F1223-M1233 HydrophobicContact CD1-SD 3.6Å; F1223-M1233 VanDerWaalsContact CD1-SD 3.6Å; F1223-M1233 HydrophobicContact CE1-CE 3.75Å; F1223-M1233 HydrophobicContact CE1-SD 3.36Å; F1223-M1233 WeakPolarHBondContact CE1-SD 3.5Å; F1223-M1233 HydrophobicContact CZ-CE 4.37Å; F1223-M1233 HydrophobicContact CZ-SD 4.43Å; F1223-P1234 HydrophobicContact CE1-CG 4.36Å; F1223-P1234 HydrophobicContact CZ-CG 3.93Å; F1223-Y1243 AromaticContact CE2-CD1 3.89Å; F1223-Y1243 HydrophobicContact CE2-CD1 3.89Å; F1223-Y1243 HydrophobicContact CZ-CD1 4.21Å; F1223-I1244 PolarHBondContact N-O 2.99Å; F1223-F1246 WeakPolarHBondContact O-CB 3.49Å; F1223-F1246 PolarHBondContact O-N 2.85Å; F1223-F1263 HydrophobicContact CD2-CE1 4.37Å; F1223-F1263 HydrophobicContact CE1-CE1 4.06Å; F1223-F1263 HydrophobicContact CE1-CZ 4.41Å; F1223-F1263 AromaticContact CE2-CE1 3.69Å; F1223-F1263 HydrophobicContact CE2-CE1 3.69Å; F1223-F1263 HydrophobicContact CE2-CZ 4.3Å; F1223-F1263 AromaticContact CZ-CE1 3.53Å; F1223-F1263 HydrophobicContact CZ-CE1 3.53Å; F1223-F1263 AromaticContact CZ-CZ 3.81Å; F1223-F1263 HydrophobicContact CZ-CZ 3.81Å; F1223-F1264 HydrophobicContact CB-CE1 3.64Å; F1223-F1264 HydrophobicContact CB-CZ 3.81Å; F1223-F1264 HydrophobicContact CD2-CD1 4.38Å; F1223-F1264 AromaticContact CD2-CE1 3.48Å; F1223-F1264 HydrophobicContact CD2-CE1 3.48Å; F1223-F1264 VanDerWaalsContact CD2-CE1 3.48Å; F1223-F1264 HydrophobicContact CD2-CZ 4.26Å; F1223-F1264 HydrophobicContact CE2-CE1 4.25Å; F1223-F1264 AromaticContact CG-CE1 3.65Å; F1223-F1264 HydrophobicContact CG-CE1 3.65Å; F1223-F1264 AromaticContact CG-CZ 4Å; F1223-F1264 HydrophobicContact CG-CZ 4Å
1224	H	91.2	Very high	87.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.			trans	-92.8	105.5	166.6	-173.7	-129	0	0	0	109.3	T1186 P1187 F1188 F1189 R1226 D1227 I1228 F1246	T1186-H1224 WeakPolarHBondContact OG1-CA 3.43Å; T1186-H1224 VanDerWaalsContact OG1-CB 3.3Å; T1186-H1224 WeakPolarHBondContact OG1-CB 3.29Å; T1186-H1224 PolarHBondContact OG1-N 3.32Å; T1186-H1224 PolarHBondContact OG1-O 3.07Å; P1187-H1224 VanDerWaalsContact O-CB 3.25Å; P1187-H1224 WeakPolarHBondContact O-CB 3.48Å; F1188-H1224 AromaticContact CD2-CD2 3.69Å; F1188-H1224 AromaticContact CD2-CE1 3.69Å; F1188-H1224 AromaticContact CD2-CG 3.89Å; F1188-H1224 AromaticContact CD2-ND1 3.88Å; F1188-H1224 AromaticContact CD2-NE2 3.6Å; F1188-H1224 AromaticContact CE2-NE2 3.66Å; F1189-H1224 AromaticContact CD1-CE1 3.76Å; F1189-H1224 AromaticContact CE1-CE1 3.69Å; H1224-R1226 PolarHBondContact O-N 3.31Å; H1224-R1226 VanDerWaalsContact O-N 3.09Å; H1224-D1227 IonicContact CE1-OD2 3.36Å; H1224-D1227 PolarHBondContact CE1-OD2 2.9Å; H1224-D1227 IonicContact CG-OD2 3.03Å; H1224-D1227 IonicContact ND1-OD2 3.6Å; H1224-D1227 PolarHBondContact ND1-OD2 3.29Å; H1224-D1227 PolarHBondContact O-N 3.44Å; H1224-I1228 PolarHBondContact O-N 3.02Å; H1224-F1246 WeakPolarHBondContact CA-O 3.39Å; H1224-F1246 HydrophobicContact CB-CD1 4Å; H1224-F1246 HydrophobicContact CB-CE1 4.47Å; H1224-F1246 AromaticContact CD2-CD1 3.97Å; H1224-F1246 PolarHBondContact CD2-O 3.47Å; H1224-F1246 VanDerWaalsContact CD2-O 3.3Å
1225	P	86.4	Confident	86.4	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.006	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-55.3	-30.5	-170.7	-30.5	37.2	0	0	0	116.2	F1223 D1227 I1228 F1245 F1246 L1247 V1254 T1259	F1223-P1225 WeakPolarHBondContact O-CD 3.47Å; P1225-D1227 PolarHBondContact O-N 3.43Å; P1225-I1228 HydrophobicContact CB-CD1 4.38Å; P1225-I1228 PolarHBondContact O-N 2.88Å; P1225-F1245 HydrophobicContact CB-CE2 4.04Å; P1225-F1245 HydrophobicContact CB-CZ 4.28Å; P1225-F1245 HydrophobicContact CG-CD1 4.35Å; P1225-F1245 HydrophobicContact CG-CD2 3.6Å; P1225-F1245 HydrophobicContact CG-CE1 4.01Å; P1225-F1245 HydrophobicContact CG-CE2 3.22Å; P1225-F1245 HydrophobicContact CG-CG 4.16Å; P1225-F1245 HydrophobicContact CG-CZ 3.45Å; P1225-F1245 VanDerWaalsContact CG-CZ 3.45Å; P1225-F1246 WeakPolarHBondContact CD-O 3.43Å; P1225-L1247 HydrophobicContact CG-CB 4.47Å; P1225-V1254 HydrophobicContact CB-CG1 3.49Å; P1225-V1254 VanDerWaalsContact CB-CG1 3.49Å; P1225-T1259 HydrophobicContact CB-CG2 4.08Å; P1225-T1259 HydrophobicContact CG-CG2 4.37Å
1226	R	84.6	Confident	85.5	Confident	101 Å²	101	56.4 Å²	56.4	38%	0.381	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-64	-29.8	176.3	-178.2	172.7	169.2	172.3	-5.1	112.5	H1224 E1249 V1254	H1224-R1226 PolarHBondContact O-N 3.31Å; H1224-R1226 VanDerWaalsContact O-N 3.09Å; R1226-E1249 WeakPolarHBondContact CD-OE2 3.43Å; R1226-E1249 IonicContact CZ-OE2 3.19Å; R1226-E1249 IonicContact NE-OE2 2.63Å; R1226-E1249 IonicContact NH1-OE1 2.77Å; R1226-E1249 PolarHBondContact NH1-OE1 2.91Å; R1226-E1249 IonicContact NH1-OE2 2.97Å; R1226-E1249 PolarHBondContact NH1-OE2 3.43Å; R1226-V1254 HydrophobicContact CB-CG2 4.48Å
1227	D	88.2	Confident	85.3	Confident	45 Å²	45	56.8 Å²	56.8	24%	0.241	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-102.5	6.8	-177.7	-65.1	-62.8	0	0	0	112.8	P1187 F1189 G1190 H1224 P1225 N1229	P1187-D1227 HydrophobicContact CG-CB 4.03Å; F1189-D1227 PolarHBondContact N-OD2 3.3Å; G1190-D1227 PolarHBondContact N-OD1 2.02Å; H1224-D1227 IonicContact CE1-OD2 3.36Å; H1224-D1227 PolarHBondContact CE1-OD2 2.9Å; H1224-D1227 IonicContact CG-OD2 3.03Å; H1224-D1227 IonicContact ND1-OD2 3.6Å; H1224-D1227 PolarHBondContact ND1-OD2 3.29Å; H1224-D1227 PolarHBondContact O-N 3.44Å; P1225-D1227 PolarHBondContact O-N 3.43Å; D1227-N1229 PolarHBondContact O-N 2.97Å
1228	I	85.8	Confident	85.3	Confident	8 Å²	8	55.1 Å²	55.1	4%	0.041	29%	0.285	C	S	.	.			trans	-71.8	123	177.5	-71.6	176.2	0	0	0	110.2	T1186 F1223 H1224 P1225 M1233 L1258 T1259 F1264	T1186-I1228 HydrophobicContact CG2-CG1 3.82Å; F1223-I1228 HydrophobicContact CB-CD1 3.93Å; F1223-I1228 HydrophobicContact CB-CG1 4.27Å; F1223-I1228 HydrophobicContact CD1-CD1 4.29Å; F1223-I1228 HydrophobicContact CD1-CG1 4.37Å; H1224-I1228 PolarHBondContact O-N 3.02Å; P1225-I1228 HydrophobicContact CB-CD1 4.38Å; P1225-I1228 PolarHBondContact O-N 2.88Å; I1228-M1233 HydrophobicContact CD1-SD 4.41Å; I1228-M1233 HydrophobicContact CG2-CG 4.06Å; I1228-M1233 HydrophobicContact CG2-SD 3.82Å; I1228-L1258 HydrophobicContact CG2-CB 4.38Å; I1228-T1259 HydrophobicContact CD1-CG2 3.77Å; I1228-F1264 HydrophobicContact CD1-CZ 4.06Å
1229	N	84.1	Confident	84.8	Confident	96 Å²	96	61.4 Å²	61.4	51%	0.513	33%	0.328	S	S	.	.			trans	-96.5	112.9	160.2	-177	-11.5	0	0	0	109.3	D1227 K1231 D1232	D1227-N1229 PolarHBondContact O-N 2.97Å; N1229-K1231 PolarHBondContact O-N 3.22Å; N1229-K1231 VanDerWaalsContact O-N 3.1Å; N1229-K1231 PolarHBondContact OD1-N 3.3Å; N1229-K1231 VanDerWaalsContact OD1-N 3.1Å; N1229-D1232 HydrophobicContact CB-CB 4.26Å; N1229-D1232 CarbonylContact O-C 3.59Å; N1229-D1232 PolarHBondContact O-N 2.89Å
1230	A	74.3	Confident	84.4	Confident	53 Å²	53	61.5 Å²	61.5	44%	0.438	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-58.5	-25.7	-177.6	0	0	0	0	0	114	D1232 L1258	A1230-D1232 VanDerWaalsContact C-N 3.28Å; A1230-L1258 HydrophobicContact CB-CD2 4Å
1231	K	79.6	Confident	84.1	Confident	186 Å²	186	61.4 Å²	61.4	81%	0.809	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-73.1	-20.8	175.7	-66.9	-177.2	-179.3	177.2	0	113.1	N1229	N1229-K1231 PolarHBondContact O-N 3.22Å; N1229-K1231 VanDerWaalsContact O-N 3.1Å; N1229-K1231 PolarHBondContact OD1-N 3.3Å; N1229-K1231 VanDerWaalsContact OD1-N 3.1Å
1232	D	84.2	Confident	84.1	Confident	72 Å²	72	66.1 Å²	66.1	39%	0.385	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-106.5	23.5	-178.6	-173.9	33.2	0	0	0	111	W1185 R1212 N1229 A1230	W1185-D1232 WeakPolarHBondContact CZ2-O 3.49Å; W1185-D1232 PolarHBondContact NE1-O 2.83Å; R1212-D1232 IonicContact CZ-OD2 3.01Å; R1212-D1232 IonicContact NE-OD1 3.09Å; R1212-D1232 IonicContact NE-OD2 4Å; R1212-D1232 PolarHBondContact NE-OD2 3.02Å; R1212-D1232 IonicContact NH2-OD2 3.08Å; R1212-D1232 PolarHBondContact NH2-OD2 3.18Å; N1229-D1232 HydrophobicContact CB-CB 4.26Å; N1229-D1232 CarbonylContact O-C 3.59Å; N1229-D1232 PolarHBondContact O-N 2.89Å; A1230-D1232 VanDerWaalsContact C-N 3.28Å
1233	M	81.8	Confident	84	Confident	36 Å²	36	65.8 Å²	65.8	18%	0.177	35%	0.348	C	S	.	.	S	Bend	trans	-84.7	144.6	174.9	-75.7	-72.4	-73.6	0	0	110.8	F1223 I1228 G1235 F1263	F1223-M1233 HydrophobicContact CD1-CE 4.06Å; F1223-M1233 HydrophobicContact CD1-SD 3.6Å; F1223-M1233 VanDerWaalsContact CD1-SD 3.6Å; F1223-M1233 HydrophobicContact CE1-CE 3.75Å; F1223-M1233 HydrophobicContact CE1-SD 3.36Å; F1223-M1233 WeakPolarHBondContact CE1-SD 3.5Å; F1223-M1233 HydrophobicContact CZ-CE 4.37Å; F1223-M1233 HydrophobicContact CZ-SD 4.43Å; I1228-M1233 HydrophobicContact CD1-SD 4.41Å; I1228-M1233 HydrophobicContact CG2-CG 4.06Å; I1228-M1233 HydrophobicContact CG2-SD 3.82Å; M1233-G1235 PolarHBondContact O-N 2.8Å; M1233-F1263 HydrophobicContact CE-CD1 3.65Å; M1233-F1263 HydrophobicContact CE-CE1 3.31Å; M1233-F1263 HydrophobicContact CE-CE2 4.26Å; M1233-F1263 HydrophobicContact CE-CG 4.25Å; M1233-F1263 HydrophobicContact CE-CZ 3.65Å
1234	P	78.6	Confident	84.1	Confident	14 Å²	14	66.5 Å²	66.5	9%	0.091	35%	0.352	C	S	.	.			trans	-66.1	131	174.7	4	6.3	0	0	0	110.2	W1185 Y1215 F1223 K1236 Y1243 F1263	W1185-P1234 HydrophobicContact CD2-CG 3.97Å; W1185-P1234 HydrophobicContact CE3-CG 3.86Å; W1185-P1234 HydrophobicContact CH2-CB 3.87Å; W1185-P1234 HydrophobicContact CH2-CG 3.57Å; W1185-P1234 HydrophobicContact CZ2-CB 4.22Å; W1185-P1234 VanDerWaalsContact CZ2-CD 3.49Å; W1185-P1234 HydrophobicContact CZ2-CG 3.67Å; W1185-P1234 HydrophobicContact CZ3-CB 4.22Å; W1185-P1234 HydrophobicContact CZ3-CG 3.67Å; Y1215-P1234 HydrophobicContact CE1-CB 4.22Å; Y1215-P1234 HydrophobicContact CE2-CB 3.72Å; Y1215-P1234 HydrophobicContact CE2-CG 3.8Å; Y1215-P1234 WeakPolarHBondContact OH-CB 3.27Å; F1223-P1234 HydrophobicContact CE1-CG 4.36Å; F1223-P1234 HydrophobicContact CZ-CG 3.93Å; P1234-K1236 PolarHBondContact O-N 2.66Å; P1234-Y1243 HydrophobicContact CG-CE1 4.48Å; P1234-F1263 HydrophobicContact CG-CZ 3.98Å
1235	G	70.1	Confident	84.2	Confident	83 Å²	83	67.8 Å²	67.8	86%	0.856	36%	0.357	S	S	*	.	S	Bend	trans	-65.8	-35.8	-169.1	0	0	0	0	0	115.9	M1233	M1233-G1235 PolarHBondContact O-N 2.8Å
1236	K	72.8	Confident	84.5	Confident	180 Å²	180	68.2 Å²	68.2	78%	0.783	36%	0.359	S	S	*	.	S	Bend	trans	-138.1	147.1	175.8	-77.7	-173.3	-178.8	177	0	111.4	Y1215 P1234	Y1215-K1236 PolarHBondContact OH-O 2.82Å; P1234-K1236 PolarHBondContact O-N 2.66Å
1237	R	83.4	Confident	84.7	Confident	117 Å²	117	63.8 Å²	63.8	44%	0.442	34%	0.343	S	S	.	.			trans	-70.3	137.8	173.3	-64.8	-168.6	-61.5	-177.1	-2.9	111.3	Y1243 D1262 F1263 T1265	R1237-Y1243 WeakPolarHBondContact CA-OH 3.42Å; R1237-Y1243 HydrophobicContact CB-CD2 4.16Å; R1237-Y1243 HydrophobicContact CB-CE2 3.56Å; R1237-Y1243 HydrophobicContact CG-CD1 4.41Å; R1237-Y1243 HydrophobicContact CG-CD2 3.75Å; R1237-Y1243 HydrophobicContact CG-CE1 4.25Å; R1237-Y1243 HydrophobicContact CG-CE2 3.59Å; R1237-Y1243 HydrophobicContact CG-CG 4.2Å; R1237-D1262 PolarHBondContact NH1-O 3.44Å; R1237-D1262 PolarHBondContact NH2-O 3.16Å; R1237-F1263 WeakPolarHBondContact CD-O 3.48Å; R1237-F1263 HydrophobicContact CG-CD2 4.12Å; R1237-F1263 HydrophobicContact CG-CE2 4.14Å; R1237-F1263 PolarHBondContact NH1-O 3.27Å; R1237-T1265 VanDerWaalsContact NH1-CG2 3.25Å
1238	L	87.5	Confident	84.6	Confident	50 Å²	50	63.2 Å²	63.2	26%	0.262	34%	0.338	S	S	.	.			trans	-89.4	127.2	168.4	-62.6	173.6	0	0	0	107.9	Y1215 N1216 H1240 M1241 Y1243	Y1215-L1238 HydrophobicContact CD1-CD1 4Å; Y1215-L1238 HydrophobicContact CE1-CD1 3.53Å; Y1215-L1238 HydrophobicContact CE1-CG 4.11Å; N1216-L1238 WeakPolarHBondContact OD1-CD1 3.46Å; L1238-H1240 PolarHBondContact O-N 2.7Å; L1238-H1240 VanDerWaalsContact O-N 3.13Å; L1238-M1241 HydrophobicContact CB-CE 3.88Å; L1238-M1241 HydrophobicContact CB-CG 4.41Å; L1238-M1241 HydrophobicContact CB-SD 4.38Å; L1238-M1241 HydrophobicContact CD1-CE 3.24Å; L1238-M1241 HydrophobicContact CD1-SD 4.28Å; L1238-M1241 HydrophobicContact CG-CE 4.17Å; L1238-M1241 PolarHBondContact O-N 2.96Å; L1238-M1241 VanDerWaalsContact O-N 3.15Å; L1238-Y1243 PolarHBondContact N-OH 3.11Å
1239	S	81.7	Confident	84.4	Confident	131 Å²	131	64.2 Å²	64.2	92%	0.916	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-19.3	-169.5	53.2	0	0	0	0	114
1240	H	83.3	Confident	84.4	Confident	100 Å²	100	61.9 Å²	61.9	46%	0.463	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4.3	179.4	66.3	-77.7	0	0	0	114.5	N1216 L1238	N1216-H1240 PolarHBondContact O-NE2 3.23Å; L1238-H1240 PolarHBondContact O-N 2.7Å; L1238-H1240 VanDerWaalsContact O-N 3.13Å
1241	M	88.4	Confident	84.5	Confident	8 Å²	8	62.5 Å²	62.5	4%	0.039	33%	0.334	C	S	.	.	S	Bend	trans	-124.1	153.4	-176.4	-59.5	-174.8	-149.1	0	0	113.7	Y1215 N1216 S1218 K1219 V1221 L1238 Y1243	Y1215-M1241 WeakPolarHBondContact O-CE 3.47Å; Y1215-M1241 VanDerWaalsContact O-SD 3.34Å; N1216-M1241 VanDerWaalsContact O-CE 3.31Å; N1216-M1241 WeakPolarHBondContact O-CE 3.48Å; S1218-M1241 WeakPolarHBondContact O-CE 3.02Å; S1218-M1241 VanDerWaalsContact O-CG 3.25Å; S1218-M1241 WeakPolarHBondContact O-CG 3.46Å; K1219-M1241 VanDerWaalsContact O-CA 3.3Å; K1219-M1241 WeakPolarHBondContact O-CA 2.85Å; V1221-M1241 HydrophobicContact CG2-SD 4.3Å; L1238-M1241 HydrophobicContact CB-CE 3.88Å; L1238-M1241 HydrophobicContact CB-CG 4.41Å; L1238-M1241 HydrophobicContact CB-SD 4.38Å; L1238-M1241 HydrophobicContact CD1-CE 3.24Å; L1238-M1241 HydrophobicContact CD1-SD 4.28Å; L1238-M1241 HydrophobicContact CG-CE 4.17Å; L1238-M1241 PolarHBondContact O-N 2.96Å; L1238-M1241 VanDerWaalsContact O-N 3.15Å; M1241-Y1243 HydrophobicContact CB-CE2 4.22Å
1242	H	93.7	Very high	84.2	Confident	100 Å²	100	62.1 Å²	62.1	46%	0.463	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	140.9	168.7	-71.5	-65.6	0	0	0	112.1	K1219 A1220 V1221 I1244 T1265 L1266	K1219-H1242 PolarHBondContact O-N 2.84Å; K1219-H1242 VanDerWaalsContact O-N 3.12Å; A1220-H1242 CarbonylContact C-O 3.6Å; A1220-H1242 WeakPolarHBondContact CA-O 3.37Å; A1220-H1242 HydrophobicContact CB-CB 4.27Å; V1221-H1242 PolarHBondContact N-O 3.38Å; H1242-I1244 HydrophobicContact CB-CG1 4.43Å; H1242-T1265 VanDerWaalsContact CA-OG1 3.31Å; H1242-T1265 WeakPolarHBondContact CA-OG1 3.4Å; H1242-T1265 WeakPolarHBondContact CB-OG1 3.45Å; H1242-T1265 PolarHBondContact ND1-OG1 3.36Å; H1242-L1266 HydrophobicContact CB-CD1 4.05Å
1243	Y	93	Very high	83.8	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	112.7	174.2	-65.1	-99.7	0	0	0	107.5	Y1215 V1221 F1223 P1234 R1237 L1238 M1241 F1263 F1264 T1265 L1266	Y1215-Y1243 AromaticContact CE2-CE1 3.99Å; Y1215-Y1243 HydrophobicContact CE2-CE1 3.99Å; Y1215-Y1243 PolarHBondContact OH-OH 3.24Å; V1221-Y1243 HydrophobicContact CB-CD1 4.28Å; V1221-Y1243 HydrophobicContact CB-CE1 4.45Å; V1221-Y1243 HydrophobicContact CG2-CE1 4.32Å; F1223-Y1243 AromaticContact CE2-CD1 3.89Å; F1223-Y1243 HydrophobicContact CE2-CD1 3.89Å; F1223-Y1243 HydrophobicContact CZ-CD1 4.21Å; P1234-Y1243 HydrophobicContact CG-CE1 4.48Å; R1237-Y1243 WeakPolarHBondContact CA-OH 3.42Å; R1237-Y1243 HydrophobicContact CB-CD2 4.16Å; R1237-Y1243 HydrophobicContact CB-CE2 3.56Å; R1237-Y1243 HydrophobicContact CG-CD1 4.41Å; R1237-Y1243 HydrophobicContact CG-CD2 3.75Å; R1237-Y1243 HydrophobicContact CG-CE1 4.25Å; R1237-Y1243 HydrophobicContact CG-CE2 3.59Å; R1237-Y1243 HydrophobicContact CG-CG 4.2Å; L1238-Y1243 PolarHBondContact N-OH 3.11Å; M1241-Y1243 HydrophobicContact CB-CE2 4.22Å; Y1243-F1263 HydrophobicContact CD1-CD1 4.34Å; Y1243-F1263 AromaticContact CD1-CE1 3.48Å; Y1243-F1263 HydrophobicContact CD1-CE1 3.48Å; Y1243-F1263 VanDerWaalsContact CD1-CE1 3.48Å; Y1243-F1263 HydrophobicContact CD1-CE2 4.1Å; Y1243-F1263 AromaticContact CD1-CZ 3.33Å; Y1243-F1263 HydrophobicContact CD1-CZ 3.33Å; Y1243-F1263 HydrophobicContact CE1-CE1 4.32Å; Y1243-F1263 HydrophobicContact CE1-CE2 4.26Å; Y1243-F1263 AromaticContact CE1-CZ 3.72Å; Y1243-F1263 HydrophobicContact CE1-CZ 3.72Å; Y1243-F1263 HydrophobicContact CG-CE1 4.14Å; Y1243-F1263 HydrophobicContact CG-CZ 4.26Å; Y1243-F1264 CarbonylContact O-C 3.52Å; Y1243-F1264 WeakPolarHBondContact O-CA 3.48Å; Y1243-T1265 HydrophobicContact CD2-CG2 4.36Å; Y1243-T1265 PolarHBondContact N-OG1 3.03Å; Y1243-T1265 PolarHBondContact O-N 3.14Å; Y1243-T1265 PolarHBondContact O-OG1 2.8Å; Y1243-L1266 PolarHBondContact O-N 3.38Å
1244	I	94.4	Very high	83.4	Confident	16 Å²	16	62.4 Å²	62.4	8%	0.082	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.1	-166.4	-52.7	173.8	0	0	0	109.5	A1220 V1221 L1222 F1223 H1242 F1264 L1266 M1268	A1220-I1244 HydrophobicContact CB-CD1 3.88Å; V1221-I1244 PolarHBondContact O-N 2.7Å; L1222-I1244 HydrophobicContact CD1-CB 3.77Å; L1222-I1244 HydrophobicContact CD1-CD1 4.4Å; L1222-I1244 HydrophobicContact CD1-CG2 3.6Å; F1223-I1244 PolarHBondContact N-O 2.99Å; H1242-I1244 HydrophobicContact CB-CG1 4.43Å; I1244-F1264 VanDerWaalsContact C-CD1 3.46Å; I1244-L1266 WeakPolarHBondContact CA-O 3.34Å; I1244-L1266 HydrophobicContact CG1-CB 4.29Å; I1244-L1266 HydrophobicContact CG1-CD1 4.45Å; I1244-M1268 HydrophobicContact CG2-CB 3.92Å
1245	F	92.2	Very high	83	Confident	27 Å²	27	65.9 Å²	65.9	12%	0.118	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	110.9	169.5	179.4	-81.5	0	0	0	108.3	P1225 L1247 L1256 T1259 F1264 L1266 T1267 M1268 T1269	P1225-F1245 HydrophobicContact CB-CE2 4.04Å; P1225-F1245 HydrophobicContact CB-CZ 4.28Å; P1225-F1245 HydrophobicContact CG-CD1 4.35Å; P1225-F1245 HydrophobicContact CG-CD2 3.6Å; P1225-F1245 HydrophobicContact CG-CE1 4.01Å; P1225-F1245 HydrophobicContact CG-CE2 3.22Å; P1225-F1245 HydrophobicContact CG-CG 4.16Å; P1225-F1245 HydrophobicContact CG-CZ 3.45Å; P1225-F1245 VanDerWaalsContact CG-CZ 3.45Å; F1245-L1247 HydrophobicContact CD1-CB 4.36Å; F1245-L1247 HydrophobicContact CE1-CB 3.69Å; F1245-L1247 HydrophobicContact CE1-CD2 4.04Å; F1245-L1247 HydrophobicContact CZ-CB 4.32Å; F1245-L1247 HydrophobicContact CZ-CD2 4.04Å; F1245-L1256 HydrophobicContact CE2-CD2 3.67Å; F1245-L1256 HydrophobicContact CZ-CD2 3.47Å; F1245-L1256 VanDerWaalsContact CZ-CD2 3.47Å; F1245-T1259 HydrophobicContact CD2-CG2 4.37Å; F1245-T1259 HydrophobicContact CE2-CG2 4.08Å; F1245-F1264 HydrophobicContact CB-CB 3.98Å; F1245-F1264 HydrophobicContact CB-CD1 3.73Å; F1245-F1264 HydrophobicContact CB-CD2 3.95Å; F1245-F1264 HydrophobicContact CB-CE1 4.16Å; F1245-F1264 HydrophobicContact CB-CE2 4.36Å; F1245-F1264 HydrophobicContact CB-CG 3.6Å; F1245-F1264 HydrophobicContact CB-CZ 4.46Å; F1245-F1264 AromaticContact CD2-CD2 3.77Å; F1245-F1264 HydrophobicContact CD2-CD2 3.77Å; F1245-F1264 AromaticContact CD2-CE2 3.71Å; F1245-F1264 HydrophobicContact CD2-CE2 3.71Å; F1245-F1264 HydrophobicContact CD2-CG 4.32Å; F1245-F1264 HydrophobicContact CD2-CZ 4.22Å; F1245-F1264 HydrophobicContact CG-CD2 4.36Å; F1245-F1264 HydrophobicContact CG-CG 4.48Å; F1245-F1264 VanDerWaalsContact N-CD1 3.25Å; F1245-L1266 PolarHBondContact N-O 2.98Å; F1245-T1267 HydrophobicContact CB-CG2 4.35Å; F1245-T1267 CarbonylContact O-C 3.55Å; F1245-M1268 PolarHBondContact O-N 2.7Å; F1245-T1269 HydrophobicContact CD1-CG2 3.77Å; F1245-T1269 HydrophobicContact CE1-CG2 3.79Å
1246	F	92.1	Very high	82.9	Confident	9 Å²	9	65.2 Å²	65.2	4%	0.039	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	120	-176.6	161.2	-103.2	0	0	0	110.9	F1188 F1193 L1222 F1223 H1224 P1225 M1268 M1278	F1188-F1246 HydrophobicContact CB-CE1 4.23Å; F1188-F1246 HydrophobicContact CD2-CD1 4.36Å; F1188-F1246 AromaticContact CD2-CE1 3.3Å; F1188-F1246 HydrophobicContact CD2-CE1 3.3Å; F1188-F1246 AromaticContact CD2-CZ 3.85Å; F1188-F1246 HydrophobicContact CD2-CZ 3.85Å; F1188-F1246 AromaticContact CE2-CE1 3.64Å; F1188-F1246 HydrophobicContact CE2-CE1 3.64Å; F1188-F1246 AromaticContact CE2-CZ 3.81Å; F1188-F1246 HydrophobicContact CE2-CZ 3.81Å; F1188-F1246 AromaticContact CG-CE1 3.82Å; F1188-F1246 HydrophobicContact CG-CE1 3.82Å; F1188-F1246 HydrophobicContact CG-CZ 4.22Å; F1188-F1246 HydrophobicContact CZ-CE1 4.43Å; F1188-F1246 HydrophobicContact CZ-CZ 4.18Å; F1193-F1246 HydrophobicContact CE1-CE1 4.35Å; F1193-F1246 HydrophobicContact CE1-CZ 4.37Å; F1193-F1246 HydrophobicContact CE2-CE1 4.47Å; F1193-F1246 HydrophobicContact CZ-CD1 4.06Å; F1193-F1246 AromaticContact CZ-CE1 3.55Å; F1193-F1246 HydrophobicContact CZ-CE1 3.55Å; F1193-F1246 HydrophobicContact CZ-CZ 4Å; L1222-F1246 HydrophobicContact CD1-CB 3.5Å; L1222-F1246 VanDerWaalsContact CD1-CB 3.5Å; L1222-F1246 HydrophobicContact CD1-CG 4.11Å; L1222-F1246 HydrophobicContact CD2-CG 4.47Å; L1222-F1246 HydrophobicContact CG-CB 3.99Å; L1222-F1246 HydrophobicContact CG-CG 4.36Å; F1223-F1246 WeakPolarHBondContact O-CB 3.49Å; F1223-F1246 PolarHBondContact O-N 2.85Å; H1224-F1246 WeakPolarHBondContact CA-O 3.39Å; H1224-F1246 HydrophobicContact CB-CD1 4Å; H1224-F1246 HydrophobicContact CB-CE1 4.47Å; H1224-F1246 AromaticContact CD2-CD1 3.97Å; H1224-F1246 PolarHBondContact CD2-O 3.47Å; H1224-F1246 VanDerWaalsContact CD2-O 3.3Å; P1225-F1246 WeakPolarHBondContact CD-O 3.43Å; F1246-M1268 VanDerWaalsContact CA-O 3.28Å; F1246-M1268 WeakPolarHBondContact CA-O 3.44Å; F1246-M1268 HydrophobicContact CB-CE 4.35Å; F1246-M1268 HydrophobicContact CD2-CB 4.5Å; F1246-M1268 HydrophobicContact CD2-CE 3.2Å; F1246-M1268 HydrophobicContact CD2-CG 4.22Å; F1246-M1268 HydrophobicContact CE2-CE 3.65Å; F1246-M1268 HydrophobicContact CG-CE 4.06Å; F1246-M1278 HydrophobicContact CD2-CE 3.7Å; F1246-M1278 HydrophobicContact CD2-SD 4.31Å; F1246-M1278 HydrophobicContact CE2-CE 3.14Å; F1246-M1278 HydrophobicContact CE2-SD 3.66Å; F1246-M1278 HydrophobicContact CZ-CE 4.04Å
1247	L	89	Confident	82.5	Confident	9 Å²	9	60.4 Å²	60.4	5%	0.047	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	125.8	-177.1	-176.5	65.4	0	0	0	113.1	P1225 F1245 E1249 V1254 M1268 T1269	P1225-L1247 HydrophobicContact CG-CB 4.47Å; F1245-L1247 HydrophobicContact CD1-CB 4.36Å; F1245-L1247 HydrophobicContact CE1-CB 3.69Å; F1245-L1247 HydrophobicContact CE1-CD2 4.04Å; F1245-L1247 HydrophobicContact CZ-CB 4.32Å; F1245-L1247 HydrophobicContact CZ-CD2 4.04Å; L1247-E1249 HydrophobicContact CD1-CB 4.17Å; L1247-V1254 HydrophobicContact CD1-CG2 3.47Å; L1247-V1254 VanDerWaalsContact CD1-CG2 3.47Å; L1247-V1254 HydrophobicContact CD2-CB 4.42Å; L1247-V1254 HydrophobicContact CD2-CG1 4.44Å; L1247-V1254 HydrophobicContact CD2-CG2 3.8Å; L1247-V1254 HydrophobicContact CG-CG2 4.23Å; L1247-M1268 PolarHBondContact N-O 3.27Å; L1247-T1269 HydrophobicContact CB-CG2 4.09Å; L1247-T1269 VanDerWaalsContact O-CA 3.24Å; L1247-T1269 WeakPolarHBondContact O-CA 3.49Å; L1247-T1269 WeakPolarHBondContact O-CB 3.25Å
1248	K	86.2	Confident	81.4	Confident	33 Å²	33	58.2 Å²	58.2	14%	0.143	31%	0.307	C	S	.	.			trans	-102.5	-10.5	169.3	-63.2	-163.9	100.6	169.8	0	114	F1188 M1278 P1279 Y1280	F1188-K1248 HydrophobicContact CE2-CB 4.41Å; F1188-K1248 HydrophobicContact CE2-CG 4.44Å; F1188-K1248 HydrophobicContact CZ-CB 4.29Å; F1188-K1248 HydrophobicContact CZ-CD 4.03Å; F1188-K1248 HydrophobicContact CZ-CG 4.2Å; K1248-M1278 HydrophobicContact CD-CE 3.42Å; K1248-M1278 VanDerWaalsContact CD-CE 3.42Å; K1248-M1278 HydrophobicContact CG-CE 3.21Å; K1248-P1279 WeakPolarHBondContact CE-O 3.28Å; K1248-P1279 PolarHBondContact NZ-O 3.48Å; K1248-Y1280 VanDerWaalsContact C-OH 3.32Å; K1248-Y1280 HydrophobicContact CB-CE1 4.22Å; K1248-Y1280 HydrophobicContact CB-CE2 4.09Å; K1248-Y1280 PolarHBondContact NZ-O 2.96Å; K1248-Y1280 WeakPolarHBondContact O-CE2 3.31Å; K1248-Y1280 PolarHBondContact O-OH 2.76Å
1249	E	83	Confident	80.3	Confident	28 Å²	28	56.7 Å²	56.7	13%	0.131	30%	0.3	C	S	.	.	S	Bend	trans	-86.8	157.2	177.8	-62.7	-144.9	140.9	0	0	114.5	F1189 R1226 L1247 H1253 V1254 Y1270	F1189-E1249 HydrophobicContact CE1-CG 3.48Å; F1189-E1249 VanDerWaalsContact CE1-CG 3.48Å; F1189-E1249 VanDerWaalsContact CE1-OE1 3.25Å; F1189-E1249 WeakPolarHBondContact CE1-OE1 3.28Å; F1189-E1249 HydrophobicContact CZ-CG 3.3Å; R1226-E1249 WeakPolarHBondContact CD-OE2 3.43Å; R1226-E1249 IonicContact CZ-OE2 3.19Å; R1226-E1249 IonicContact NE-OE2 2.63Å; R1226-E1249 IonicContact NH1-OE1 2.77Å; R1226-E1249 PolarHBondContact NH1-OE1 2.91Å; R1226-E1249 IonicContact NH1-OE2 2.97Å; R1226-E1249 PolarHBondContact NH1-OE2 3.43Å; L1247-E1249 HydrophobicContact CD1-CB 4.17Å; E1249-H1253 HydrophobicContact CB-CB 4.33Å; E1249-H1253 WeakPolarHBondContact OE2-CB 3.27Å; E1249-H1253 IonicContact OE2-CG 3.77Å; E1249-V1254 HydrophobicContact CB-CG2 4.3Å; E1249-Y1270 WeakPolarHBondContact O-CE1 3.47Å
1250	S	82.7	Confident	79.5	Confident	48 Å²	48	52.9 Å²	52.9	34%	0.336	28%	0.276	S	S	.	.			trans	-59.4	147.4	168.3	72.9	0	0	0	0	110.2	H1252 H1253	S1250-H1252 PolarHBondContact O-N 3.37Å; S1250-H1253 PolarHBondContact O-N 3.44Å; S1250-H1253 VanDerWaalsContact O-N 3.1Å; S1250-H1253 PolarHBondContact OG-ND1 3.31Å; S1250-H1253 VanDerWaalsContact OG-ND1 3.12Å
1251	P	76.9	Confident	78.7	Confident	66 Å²	66	53 Å²	53	43%	0.429	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-59.7	-17.3	-177.4	21.8	-32.9	0	0	0	114	H1253 V1254 L1256 Y1270	P1251-H1253 VanDerWaalsContact C-N 3.31Å; P1251-H1253 PolarHBondContact O-N 3.28Å; P1251-V1254 PolarHBondContact O-N 3.49Å; P1251-L1256 HydrophobicContact CB-CD1 4.45Å; P1251-Y1270 VanDerWaalsContact CD-OH 3.25Å; P1251-Y1270 WeakPolarHBondContact CD-OH 3.4Å
1252	H	73.8	Confident	78	Confident	177 Å²	177	58.6 Å²	58.6	82%	0.819	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-68.3	-25.4	176.7	-74.2	-77	0	0	0	114.1	S1250 V1254	S1250-H1252 PolarHBondContact O-N 3.37Å; H1252-V1254 VanDerWaalsContact C-N 3.34Å
1253	H	75.4	Confident	77.6	Confident	101 Å²	101	54.7 Å²	54.7	47%	0.468	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-95.3	7.8	-179.2	-65.8	82	0	0	0	112.9	E1249 S1250 P1251	E1249-H1253 HydrophobicContact CB-CB 4.33Å; E1249-H1253 WeakPolarHBondContact OE2-CB 3.27Å; E1249-H1253 IonicContact OE2-CG 3.77Å; S1250-H1253 PolarHBondContact O-N 3.44Å; S1250-H1253 VanDerWaalsContact O-N 3.1Å; S1250-H1253 PolarHBondContact OG-ND1 3.31Å; S1250-H1253 VanDerWaalsContact OG-ND1 3.12Å; P1251-H1253 VanDerWaalsContact C-N 3.31Å; P1251-H1253 PolarHBondContact O-N 3.28Å
1254	V	72.7	Confident	77.4	Confident	13 Å²	13	56.6 Å²	56.6	8%	0.079	30%	0.296	C	S	.	.	S	Bend	trans	-129.4	123.2	-173	-178.4	0	0	0	0	110	P1225 R1226 L1247 E1249 P1251 H1252 L1256	P1225-V1254 HydrophobicContact CB-CG1 3.49Å; P1225-V1254 VanDerWaalsContact CB-CG1 3.49Å; R1226-V1254 HydrophobicContact CB-CG2 4.48Å; L1247-V1254 HydrophobicContact CD1-CG2 3.47Å; L1247-V1254 VanDerWaalsContact CD1-CG2 3.47Å; L1247-V1254 HydrophobicContact CD2-CB 4.42Å; L1247-V1254 HydrophobicContact CD2-CG1 4.44Å; L1247-V1254 HydrophobicContact CD2-CG2 3.8Å; L1247-V1254 HydrophobicContact CG-CG2 4.23Å; E1249-V1254 HydrophobicContact CB-CG2 4.3Å; P1251-V1254 PolarHBondContact O-N 3.49Å; H1252-V1254 VanDerWaalsContact C-N 3.34Å; V1254-L1256 VanDerWaalsContact C-N 3.3Å; V1254-L1256 HydrophobicContact CG1-CD2 3.8Å; V1254-L1256 HydrophobicContact CG1-CG 4.14Å; V1254-L1256 PolarHBondContact O-N 3.05Å
1255	N	70.7	Confident	77.4	Confident	88 Å²	88	58.3 Å²	58.3	47%	0.471	31%	0.307	S	S	.	.			trans	-79.7	81.2	170.4	-165.3	-11.1	0	0	0	110.6	L1257 L1258	N1255-L1257 PolarHBondContact O-N 3.04Å; N1255-L1257 WeakPolarHBondContact OD1-CB 3.35Å; N1255-L1257 WeakPolarHBondContact OD1-CD1 3.27Å; N1255-L1257 WeakPolarHBondContact OD1-CG 3.42Å; N1255-L1257 PolarHBondContact OD1-N 3.48Å; N1255-L1258 HydrophobicContact CB-CD1 4.2Å; N1255-L1258 HydrophobicContact CB-CG 4.43Å; N1255-L1258 PolarHBondContact O-N 2.98Å
1256	L	67.7	Low	77.5	Confident	68 Å²	68	59.1 Å²	59.1	36%	0.356	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-58	-13.3	178.7	-66.3	172.7	0	0	0	113.3	F1245 P1251 V1254 L1258 T1259	F1245-L1256 HydrophobicContact CE2-CD2 3.67Å; F1245-L1256 HydrophobicContact CZ-CD2 3.47Å; F1245-L1256 VanDerWaalsContact CZ-CD2 3.47Å; P1251-L1256 HydrophobicContact CB-CD1 4.45Å; V1254-L1256 VanDerWaalsContact C-N 3.3Å; V1254-L1256 HydrophobicContact CG1-CD2 3.8Å; V1254-L1256 HydrophobicContact CG1-CG 4.14Å; V1254-L1256 PolarHBondContact O-N 3.05Å; L1256-L1258 PolarHBondContact O-N 3.17Å; L1256-T1259 WeakPolarHBondContact O-CB 3.14Å; L1256-T1259 PolarHBondContact O-N 3.44Å; L1256-T1259 VanDerWaalsContact O-N 3.14Å; L1256-T1259 PolarHBondContact O-OG1 2.89Å
1257	L	65.3	Low	77.5	Confident	80 Å²	80	61 Å²	61	42%	0.419	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-70.1	-22	176.4	-58.1	157.1	0	0	0	112.3	D215 N1255 T1259	D215-L1257 WeakPolarHBondContact OD1-CD2 3.49Å; N1255-L1257 PolarHBondContact O-N 3.04Å; N1255-L1257 WeakPolarHBondContact OD1-CB 3.35Å; N1255-L1257 WeakPolarHBondContact OD1-CD1 3.27Å; N1255-L1257 WeakPolarHBondContact OD1-CG 3.42Å; N1255-L1257 PolarHBondContact OD1-N 3.48Å; L1257-T1259 PolarHBondContact O-N 3.38Å
1258	L	60.8	Low	77.8	Confident	71 Å²	71	62.3 Å²	62.3	37%	0.372	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-74.3	-9.1	172.8	-64.5	172	0	0	0	112.5	I1228 A1230 N1255 L1256	I1228-L1258 HydrophobicContact CG2-CB 4.38Å; A1230-L1258 HydrophobicContact CB-CD2 4Å; N1255-L1258 HydrophobicContact CB-CD1 4.2Å; N1255-L1258 HydrophobicContact CB-CG 4.43Å; N1255-L1258 PolarHBondContact O-N 2.98Å; L1256-L1258 PolarHBondContact O-N 3.17Å
1259	T	63.9	Low	78	Confident	18 Å²	18	61.1 Å²	61.1	11%	0.11	33%	0.327	C	S	.	.	S	Bend	trans	-90.5	123.4	175.6	63.1	0	0	0	0	112.1	P1225 I1228 F1245 L1256 L1257 K1261 F1264	P1225-T1259 HydrophobicContact CB-CG2 4.08Å; P1225-T1259 HydrophobicContact CG-CG2 4.37Å; I1228-T1259 HydrophobicContact CD1-CG2 3.77Å; F1245-T1259 HydrophobicContact CD2-CG2 4.37Å; F1245-T1259 HydrophobicContact CE2-CG2 4.08Å; L1256-T1259 WeakPolarHBondContact O-CB 3.14Å; L1256-T1259 PolarHBondContact O-N 3.44Å; L1256-T1259 VanDerWaalsContact O-N 3.14Å; L1256-T1259 PolarHBondContact O-OG1 2.89Å; L1257-T1259 PolarHBondContact O-N 3.38Å; T1259-K1261 PolarHBondContact O-N 2.96Å; T1259-F1264 HydrophobicContact CG2-CE2 3.74Å; T1259-F1264 HydrophobicContact CG2-CZ 4.33Å
1260	A	64	Low	78.3	Confident	51 Å²	51	63.5 Å²	63.5	42%	0.421	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-63.9	129.6	176.2	0	0	0	0	0	111.1	F1263	A1260-F1263 HydrophobicContact CB-CB 3.76Å; A1260-F1263 HydrophobicContact CB-CD2 4.5Å; A1260-F1263 HydrophobicContact CB-CG 4.26Å; A1260-F1263 WeakPolarHBondContact O-CB 3.49Å; A1260-F1263 PolarHBondContact O-N 2.61Å
1261	K	66.9	Low	78.6	Confident	102 Å²	102	67.9 Å²	67.9	44%	0.443	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	138.7	174	-155.8	-165.7	-169.6	-179.9	0	109.5	K214 T1259 F1263	K214-K1261 HydrophobicContact CB-CD 4.18Å; K214-K1261 HydrophobicContact CD-CB 4Å; K214-K1261 HydrophobicContact CD-CD 3.73Å; K214-K1261 HydrophobicContact CD-CG 3.89Å; K214-K1261 HydrophobicContact CG-CD 4.39Å; T1259-K1261 PolarHBondContact O-N 2.96Å; K1261-F1263 PolarHBondContact O-N 3.15Å; K1261-F1263 VanDerWaalsContact O-N 3.07Å
1262	D	74.1	Confident	79.1	Confident	126 Å²	126	74.9 Å²	74.9	67%	0.674	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	13.7	178.6	-48.4	-42.4	0	0	0	115.4	R1237	R1237-D1262 PolarHBondContact NH1-O 3.44Å; R1237-D1262 PolarHBondContact NH2-O 3.16Å
1263	F	84.2	Confident	79.9	Confident	18 Å²	18	71.7 Å²	71.7	8%	0.079	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-51.3	176	-175.1	-98.2	0	0	0	111.4	F1223 M1233 P1234 R1237 Y1243 A1260 K1261 T1265	F1223-F1263 HydrophobicContact CD2-CE1 4.37Å; F1223-F1263 HydrophobicContact CE1-CE1 4.06Å; F1223-F1263 HydrophobicContact CE1-CZ 4.41Å; F1223-F1263 AromaticContact CE2-CE1 3.69Å; F1223-F1263 HydrophobicContact CE2-CE1 3.69Å; F1223-F1263 HydrophobicContact CE2-CZ 4.3Å; F1223-F1263 AromaticContact CZ-CE1 3.53Å; F1223-F1263 HydrophobicContact CZ-CE1 3.53Å; F1223-F1263 AromaticContact CZ-CZ 3.81Å; F1223-F1263 HydrophobicContact CZ-CZ 3.81Å; M1233-F1263 HydrophobicContact CE-CD1 3.65Å; M1233-F1263 HydrophobicContact CE-CE1 3.31Å; M1233-F1263 HydrophobicContact CE-CE2 4.26Å; M1233-F1263 HydrophobicContact CE-CG 4.25Å; M1233-F1263 HydrophobicContact CE-CZ 3.65Å; P1234-F1263 HydrophobicContact CG-CZ 3.98Å; R1237-F1263 WeakPolarHBondContact CD-O 3.48Å; R1237-F1263 HydrophobicContact CG-CD2 4.12Å; R1237-F1263 HydrophobicContact CG-CE2 4.14Å; R1237-F1263 PolarHBondContact NH1-O 3.27Å; Y1243-F1263 HydrophobicContact CD1-CD1 4.34Å; Y1243-F1263 AromaticContact CD1-CE1 3.48Å; Y1243-F1263 HydrophobicContact CD1-CE1 3.48Å; Y1243-F1263 VanDerWaalsContact CD1-CE1 3.48Å; Y1243-F1263 HydrophobicContact CD1-CE2 4.1Å; Y1243-F1263 AromaticContact CD1-CZ 3.33Å; Y1243-F1263 HydrophobicContact CD1-CZ 3.33Å; Y1243-F1263 HydrophobicContact CE1-CE1 4.32Å; Y1243-F1263 HydrophobicContact CE1-CE2 4.26Å; Y1243-F1263 AromaticContact CE1-CZ 3.72Å; Y1243-F1263 HydrophobicContact CE1-CZ 3.72Å; Y1243-F1263 HydrophobicContact CG-CE1 4.14Å; Y1243-F1263 HydrophobicContact CG-CZ 4.26Å; A1260-F1263 HydrophobicContact CB-CB 3.76Å; A1260-F1263 HydrophobicContact CB-CD2 4.5Å; A1260-F1263 HydrophobicContact CB-CG 4.26Å; A1260-F1263 WeakPolarHBondContact O-CB 3.49Å; A1260-F1263 PolarHBondContact O-N 2.61Å; K1261-F1263 PolarHBondContact O-N 3.15Å; K1261-F1263 VanDerWaalsContact O-N 3.07Å; F1263-T1265 PolarHBondContact O-N 3.49Å
1264	F	90.5	Very high	80.6	Confident	39 Å²	39	67.5 Å²	67.5	17%	0.171	33%	0.333	C	S	.	.			trans	-70.1	132.3	-178.9	-63.7	-71	0	0	0	112	F1223 I1228 Y1243 I1244 F1245 T1259	F1223-F1264 HydrophobicContact CB-CE1 3.64Å; F1223-F1264 HydrophobicContact CB-CZ 3.81Å; F1223-F1264 HydrophobicContact CD2-CD1 4.38Å; F1223-F1264 AromaticContact CD2-CE1 3.48Å; F1223-F1264 HydrophobicContact CD2-CE1 3.48Å; F1223-F1264 VanDerWaalsContact CD2-CE1 3.48Å; F1223-F1264 HydrophobicContact CD2-CZ 4.26Å; F1223-F1264 HydrophobicContact CE2-CE1 4.25Å; F1223-F1264 AromaticContact CG-CE1 3.65Å; F1223-F1264 HydrophobicContact CG-CE1 3.65Å; F1223-F1264 AromaticContact CG-CZ 4Å; F1223-F1264 HydrophobicContact CG-CZ 4Å; I1228-F1264 HydrophobicContact CD1-CZ 4.06Å; Y1243-F1264 CarbonylContact O-C 3.52Å; Y1243-F1264 WeakPolarHBondContact O-CA 3.48Å; I1244-F1264 VanDerWaalsContact C-CD1 3.46Å; F1245-F1264 HydrophobicContact CB-CB 3.98Å; F1245-F1264 HydrophobicContact CB-CD1 3.73Å; F1245-F1264 HydrophobicContact CB-CD2 3.95Å; F1245-F1264 HydrophobicContact CB-CE1 4.16Å; F1245-F1264 HydrophobicContact CB-CE2 4.36Å; F1245-F1264 HydrophobicContact CB-CG 3.6Å; F1245-F1264 HydrophobicContact CB-CZ 4.46Å; F1245-F1264 AromaticContact CD2-CD2 3.77Å; F1245-F1264 HydrophobicContact CD2-CD2 3.77Å; F1245-F1264 AromaticContact CD2-CE2 3.71Å; F1245-F1264 HydrophobicContact CD2-CE2 3.71Å; F1245-F1264 HydrophobicContact CD2-CG 4.32Å; F1245-F1264 HydrophobicContact CD2-CZ 4.22Å; F1245-F1264 HydrophobicContact CG-CD2 4.36Å; F1245-F1264 HydrophobicContact CG-CG 4.48Å; F1245-F1264 VanDerWaalsContact N-CD1 3.25Å; T1259-F1264 HydrophobicContact CG2-CE2 3.74Å; T1259-F1264 HydrophobicContact CG2-CZ 4.33Å
1265	T	92.5	Very high	81.8	Confident	52 Å²	52	71.8 Å²	71.8	32%	0.319	36%	0.356	S	S	.	.	S	Bend	trans	-95.6	-21.9	175.5	60.2	0	0	0	0	112.5	R1237 H1242 Y1243 F1263	R1237-T1265 VanDerWaalsContact NH1-CG2 3.25Å; H1242-T1265 VanDerWaalsContact CA-OG1 3.31Å; H1242-T1265 WeakPolarHBondContact CA-OG1 3.4Å; H1242-T1265 WeakPolarHBondContact CB-OG1 3.45Å; H1242-T1265 PolarHBondContact ND1-OG1 3.36Å; Y1243-T1265 HydrophobicContact CD2-CG2 4.36Å; Y1243-T1265 PolarHBondContact N-OG1 3.03Å; Y1243-T1265 PolarHBondContact O-N 3.14Å; Y1243-T1265 PolarHBondContact O-OG1 2.8Å; F1263-T1265 PolarHBondContact O-N 3.49Å
1266	L	94.4	Very high	82.9	Confident	45 Å²	45	71 Å²	71	24%	0.236	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	150.7	179.9	-67	174.6	0	0	0	110	H1242 Y1243 I1244 F1245 D1275	H1242-L1266 HydrophobicContact CB-CD1 4.05Å; Y1243-L1266 PolarHBondContact O-N 3.38Å; I1244-L1266 WeakPolarHBondContact CA-O 3.34Å; I1244-L1266 HydrophobicContact CG1-CB 4.29Å; I1244-L1266 HydrophobicContact CG1-CD1 4.45Å; F1245-L1266 PolarHBondContact N-O 2.98Å; L1266-D1275 WeakPolarHBondContact CA-OD2 3.16Å; L1266-D1275 HydrophobicContact CD2-CB 3.99Å
1267	T	93	Very high	84	Confident	49 Å²	49	72.4 Å²	72.4	30%	0.301	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	132.9	175.5	55.8	0	0	0	0	110.8	F1245 S1274 D1275 I1276	F1245-T1267 HydrophobicContact CB-CG2 4.35Å; F1245-T1267 CarbonylContact O-C 3.55Å; T1267-S1274 WeakPolarHBondContact CB-OG 3.31Å; T1267-S1274 PolarHBondContact O-OG 2.98Å; T1267-S1274 PolarHBondContact OG1-OG 3.17Å; T1267-D1275 PolarHBondContact N-OD2 2.76Å; T1267-D1275 WeakPolarHBondContact O-CB 3.46Å; T1267-D1275 PolarHBondContact O-N 3.25Å; T1267-D1275 VanDerWaalsContact O-N 3.15Å; T1267-D1275 PolarHBondContact OG1-N 2.84Å; T1267-D1275 PolarHBondContact OG1-OD2 3.29Å; T1267-I1276 PolarHBondContact O-N 3.07Å
1268	M	94.4	Very high	85.1	Confident	35 Å²	35	70.6 Å²	70.6	17%	0.172	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	92.7	177.7	-173.1	163.2	86.2	0	0	110.9	L1222 I1244 F1245 F1246 L1247 S1274 I1276 M1278	L1222-M1268 HydrophobicContact CD1-CE 3.9Å; I1244-M1268 HydrophobicContact CG2-CB 3.92Å; F1245-M1268 PolarHBondContact O-N 2.7Å; F1246-M1268 VanDerWaalsContact CA-O 3.28Å; F1246-M1268 WeakPolarHBondContact CA-O 3.44Å; F1246-M1268 HydrophobicContact CB-CE 4.35Å; F1246-M1268 HydrophobicContact CD2-CB 4.5Å; F1246-M1268 HydrophobicContact CD2-CE 3.2Å; F1246-M1268 HydrophobicContact CD2-CG 4.22Å; F1246-M1268 HydrophobicContact CE2-CE 3.65Å; F1246-M1268 HydrophobicContact CG-CE 4.06Å; L1247-M1268 PolarHBondContact N-O 3.27Å; M1268-S1274 WeakPolarHBondContact CA-OG 3.25Å; M1268-S1274 PolarHBondContact N-OG 3.38Å; M1268-I1276 VanDerWaalsContact CA-O 3.28Å; M1268-I1276 WeakPolarHBondContact CA-O 3.43Å; M1268-I1276 HydrophobicContact CB-CB 3.95Å; M1268-I1276 HydrophobicContact CB-CD1 4.41Å; M1268-I1276 HydrophobicContact CB-CG2 4.45Å; M1268-I1276 HydrophobicContact CG-CB 3.74Å; M1268-I1276 HydrophobicContact CG-CD1 4.49Å; M1268-I1276 HydrophobicContact CG-CG2 3.69Å; M1268-I1276 HydrophobicContact SD-CB 4.13Å; M1268-I1276 HydrophobicContact SD-CD1 4.03Å; M1268-I1276 HydrophobicContact SD-CG2 3.69Å; M1268-M1278 HydrophobicContact CE-SD 4.3Å; M1268-M1278 HydrophobicContact CG-CB 4.15Å; M1268-M1278 HydrophobicContact CG-SD 4.38Å
1269	T	92.3	Very high	86.4	Confident	9 Å²	9	67.9 Å²	67.9	6%	0.055	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	171.6	-170.3	74.4	0	0	0	0	113.4	F1245 L1247 R1271 S1274 I1276 M1278	F1245-T1269 HydrophobicContact CD1-CG2 3.77Å; F1245-T1269 HydrophobicContact CE1-CG2 3.79Å; L1247-T1269 HydrophobicContact CB-CG2 4.09Å; L1247-T1269 VanDerWaalsContact O-CA 3.24Å; L1247-T1269 WeakPolarHBondContact O-CA 3.49Å; L1247-T1269 WeakPolarHBondContact O-CB 3.25Å; T1269-R1271 PolarHBondContact O-N 2.56Å; T1269-R1271 PolarHBondContact OG1-N 2.95Å; T1269-S1274 PolarHBondContact N-OG 2.94Å; T1269-S1274 WeakPolarHBondContact OG1-CB 3.47Å; T1269-S1274 PolarHBondContact OG1-OG 3.39Å; T1269-I1276 PolarHBondContact N-O 3.34Å; T1269-M1278 CarbonylContact C-O 3.48Å; T1269-M1278 PolarHBondContact O-N 2.88Å
1270	Y	88.6	Confident	87.1	Confident	78 Å²	78	73.6 Å²	73.6	31%	0.306	35%	0.349	S	S	.	.	S	Bend	trans	-68.7	-7.7	173.9	72.1	-87.1	0	0	0	113.9	E1249 P1251 Y1277 M1278	E1249-Y1270 WeakPolarHBondContact O-CE1 3.47Å; P1251-Y1270 VanDerWaalsContact CD-OH 3.25Å; P1251-Y1270 WeakPolarHBondContact CD-OH 3.4Å; Y1270-Y1277 VanDerWaalsContact O-CE2 3.25Å; Y1270-Y1277 WeakPolarHBondContact O-CE2 3.32Å; Y1270-M1278 VanDerWaalsContact CA-O 3.31Å; Y1270-M1278 WeakPolarHBondContact CA-O 3.27Å; Y1270-M1278 PolarHBondContact N-O 3.37Å
1271	R	89.4	Confident	87.8	Confident	140 Å²	140	79.5 Å²	79.5	53%	0.528	37%	0.368	S	S	.	.	S	Bend	trans	-77.4	136	176	-60.4	172.5	53.2	128.1	-4.5	109.8	T1269 D1273 S1274 Y1277	T1269-R1271 PolarHBondContact O-N 2.56Å; T1269-R1271 PolarHBondContact OG1-N 2.95Å; R1271-D1273 WeakPolarHBondContact CB-OD1 3.31Å; R1271-D1273 IonicContact CZ-OD1 2.7Å; R1271-D1273 IonicContact CZ-OD2 2.9Å; R1271-D1273 IonicContact NE-OD1 3.25Å; R1271-D1273 PolarHBondContact NE-OD1 3.41Å; R1271-D1273 IonicContact NE-OD2 2.67Å; R1271-D1273 IonicContact NH2-OD1 3.95Å; R1271-D1273 IonicContact NH2-OD2 3.96Å; R1271-D1273 PolarHBondContact NH2-OD2 3.48Å; R1271-D1273 PolarHBondContact O-N 3.13Å; R1271-D1273 VanDerWaalsContact O-N 3.14Å; R1271-S1274 VanDerWaalsContact O-CB 3.28Å; R1271-S1274 WeakPolarHBondContact O-CB 3.39Å; R1271-S1274 PolarHBondContact O-N 3.27Å; R1271-S1274 VanDerWaalsContact O-N 3.11Å; R1271-Y1277 VanDerWaalsContact O-CD2 3.3Å; R1271-Y1277 WeakPolarHBondContact O-CD2 3.49Å
1272	R	86.7	Confident	88.2	Confident	212 Å²	212	83.9 Å²	83.9	80%	0.8	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-18	-179.3	-72.5	-177.6	176.1	-178.3	2.3	114.1	Y1277	R1272-Y1277 HydrophobicContact CB-CD2 4.48Å; R1272-Y1277 HydrophobicContact CB-CE2 4.34Å; R1272-Y1277 HydrophobicContact CG-CD2 4.21Å; R1272-Y1277 HydrophobicContact CG-CE1 4.26Å; R1272-Y1277 HydrophobicContact CG-CE2 3.62Å
1273	D	90.2	Very high	88.3	Confident	110 Å²	110	85.1 Å²	85.1	59%	0.588	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	4	178.2	65.5	-20.9	0	0	0	114	R1271	R1271-D1273 WeakPolarHBondContact CB-OD1 3.31Å; R1271-D1273 IonicContact CZ-OD1 2.7Å; R1271-D1273 IonicContact CZ-OD2 2.9Å; R1271-D1273 IonicContact NE-OD1 3.25Å; R1271-D1273 PolarHBondContact NE-OD1 3.41Å; R1271-D1273 IonicContact NE-OD2 2.67Å; R1271-D1273 IonicContact NH2-OD1 3.95Å; R1271-D1273 IonicContact NH2-OD2 3.96Å; R1271-D1273 PolarHBondContact NH2-OD2 3.48Å; R1271-D1273 PolarHBondContact O-N 3.13Å; R1271-D1273 VanDerWaalsContact O-N 3.14Å
1274	S	91.5	Very high	87.7	Confident	13 Å²	13	90.9 Å²	90.9	9%	0.091	42%	0.418	C	S	.	.	S	Bend	trans	-67.2	144.8	172.6	-155.3	0	0	0	0	110.9	T1267 M1268 T1269 R1271 I1276	T1267-S1274 WeakPolarHBondContact CB-OG 3.31Å; T1267-S1274 PolarHBondContact O-OG 2.98Å; T1267-S1274 PolarHBondContact OG1-OG 3.17Å; M1268-S1274 WeakPolarHBondContact CA-OG 3.25Å; M1268-S1274 PolarHBondContact N-OG 3.38Å; T1269-S1274 PolarHBondContact N-OG 2.94Å; T1269-S1274 WeakPolarHBondContact OG1-CB 3.47Å; T1269-S1274 PolarHBondContact OG1-OG 3.39Å; R1271-S1274 VanDerWaalsContact O-CB 3.28Å; R1271-S1274 WeakPolarHBondContact O-CB 3.39Å; R1271-S1274 PolarHBondContact O-N 3.27Å; R1271-S1274 VanDerWaalsContact O-N 3.11Å; S1274-I1276 PolarHBondContact O-N 3.31Å; S1274-I1276 VanDerWaalsContact O-N 3.09Å
1275	D	96.2	Very high	87	Confident	104 Å²	104	98 Å²	98	56%	0.556	45%	0.449	S	S	*	.	S	Bend	trans	-52.9	-36.1	176.4	-58.8	-73.4	0	0	0	111.7	L1266 T1267	L1266-D1275 WeakPolarHBondContact CA-OD2 3.16Å; L1266-D1275 HydrophobicContact CD2-CB 3.99Å; T1267-D1275 PolarHBondContact N-OD2 2.76Å; T1267-D1275 WeakPolarHBondContact O-CB 3.46Å; T1267-D1275 PolarHBondContact O-N 3.25Å; T1267-D1275 VanDerWaalsContact O-N 3.15Å; T1267-D1275 PolarHBondContact OG1-N 2.84Å; T1267-D1275 PolarHBondContact OG1-OD2 3.29Å
1276	I	93.6	Very high	85.8	Confident	70 Å²	70	101 Å²	101	36%	0.359	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	98.2	170.9	-53.3	170.4	0	0	0	108.1	T1267 M1268 T1269 S1274 M1278	T1267-I1276 PolarHBondContact O-N 3.07Å; M1268-I1276 VanDerWaalsContact CA-O 3.28Å; M1268-I1276 WeakPolarHBondContact CA-O 3.43Å; M1268-I1276 HydrophobicContact CB-CB 3.95Å; M1268-I1276 HydrophobicContact CB-CD1 4.41Å; M1268-I1276 HydrophobicContact CB-CG2 4.45Å; M1268-I1276 HydrophobicContact CG-CB 3.74Å; M1268-I1276 HydrophobicContact CG-CD1 4.49Å; M1268-I1276 HydrophobicContact CG-CG2 3.69Å; M1268-I1276 HydrophobicContact SD-CB 4.13Å; M1268-I1276 HydrophobicContact SD-CD1 4.03Å; M1268-I1276 HydrophobicContact SD-CG2 3.69Å; T1269-I1276 PolarHBondContact N-O 3.34Å; S1274-I1276 PolarHBondContact O-N 3.31Å; S1274-I1276 VanDerWaalsContact O-N 3.09Å; I1276-M1278 PolarHBondContact O-N 2.79Å
1277	Y	92.2	Very high	84.6	Confident	99 Å²	99	106.8 Å²	106.8	39%	0.388	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	118.9	175.4	174.8	-130.9	0	0	0	111	Y1270 R1271 R1272 P1279	Y1270-Y1277 VanDerWaalsContact O-CE2 3.25Å; Y1270-Y1277 WeakPolarHBondContact O-CE2 3.32Å; R1271-Y1277 VanDerWaalsContact O-CD2 3.3Å; R1271-Y1277 WeakPolarHBondContact O-CD2 3.49Å; R1272-Y1277 HydrophobicContact CB-CD2 4.48Å; R1272-Y1277 HydrophobicContact CB-CE2 4.34Å; R1272-Y1277 HydrophobicContact CG-CD2 4.21Å; R1272-Y1277 HydrophobicContact CG-CE1 4.26Å; R1272-Y1277 HydrophobicContact CG-CE2 3.62Å; Y1277-P1279 HydrophobicContact CE1-CB 4.46Å; Y1277-P1279 HydrophobicContact CE1-CG 3.87Å; Y1277-P1279 HydrophobicContact CE2-CB 3.96Å; Y1277-P1279 HydrophobicContact CE2-CG 4.13Å
1278	M	87.6	Confident	83.2	Confident	42 Å²	42	113 Å²	113	21%	0.207	51%	0.51	C	S	.	.			trans	-135.1	80.7	-178.1	-167.1	-167.3	63.8	0	0	110.8	F1246 K1248 M1268 T1269 Y1270 I1276	F1246-M1278 HydrophobicContact CD2-CE 3.7Å; F1246-M1278 HydrophobicContact CD2-SD 4.31Å; F1246-M1278 HydrophobicContact CE2-CE 3.14Å; F1246-M1278 HydrophobicContact CE2-SD 3.66Å; F1246-M1278 HydrophobicContact CZ-CE 4.04Å; K1248-M1278 HydrophobicContact CD-CE 3.42Å; K1248-M1278 VanDerWaalsContact CD-CE 3.42Å; K1248-M1278 HydrophobicContact CG-CE 3.21Å; M1268-M1278 HydrophobicContact CE-SD 4.3Å; M1268-M1278 HydrophobicContact CG-CB 4.15Å; M1268-M1278 HydrophobicContact CG-SD 4.38Å; T1269-M1278 CarbonylContact C-O 3.48Å; T1269-M1278 PolarHBondContact O-N 2.88Å; Y1270-M1278 VanDerWaalsContact CA-O 3.31Å; Y1270-M1278 WeakPolarHBondContact CA-O 3.27Å; Y1270-M1278 PolarHBondContact N-O 3.37Å; I1276-M1278 PolarHBondContact O-N 2.79Å
1279	P	87.4	Confident	81.6	Confident	13 Å²	13	119.5 Å²	119.5	8%	0.084	54%	0.544	C	S	.	.			trans	-66.5	170.7	175.8	31	-35.2	0	0	0	111.6	K1248 Y1277 W1282	K1248-P1279 WeakPolarHBondContact CE-O 3.28Å; K1248-P1279 PolarHBondContact NZ-O 3.48Å; Y1277-P1279 HydrophobicContact CE1-CB 4.46Å; Y1277-P1279 HydrophobicContact CE1-CG 3.87Å; Y1277-P1279 HydrophobicContact CE2-CB 3.96Å; Y1277-P1279 HydrophobicContact CE2-CG 4.13Å; P1279-W1282 HydrophobicContact CG-CE3 3.83Å
1280	Y	80.4	Confident	80.4	Confident	138 Å²	138	121.3 Å²	121.3	54%	0.541	55%	0.553	S	S	.	*	S	Bend	trans	-58.5	-52.6	168.9	-84.9	-87.4	0	0	0	110.6	K1248	K1248-Y1280 VanDerWaalsContact C-OH 3.32Å; K1248-Y1280 HydrophobicContact CB-CE1 4.22Å; K1248-Y1280 HydrophobicContact CB-CE2 4.09Å; K1248-Y1280 PolarHBondContact NZ-O 2.96Å; K1248-Y1280 WeakPolarHBondContact O-CE2 3.31Å; K1248-Y1280 PolarHBondContact O-OH 2.76Å
1281	E	78.8	Confident	79.7	Confident	176 Å²	176	120.9 Å²	120.9	82%	0.822	56%	0.562	S	S	*	*			trans	-148.3	166.1	-179.8	-59.4	-173.4	167.5	0	0	109.5
1282	W	73.6	Confident	79.1	Confident	193 Å²	193	123 Å²	123	73%	0.731	58%	0.575	S	S	*	*			trans	-140.5	152.1	170.4	64.9	62.5	0	0	0	111.3	P1279	P1279-W1282 HydrophobicContact CG-CE3 3.83Å
1283	V	77.5	Confident	78.8	Confident	152 Å²	152	118.7 Å²	118.7	92%	0.921	57%	0.567	S	S	*	*			trans	-91.3	115.4	172.2	-176.4	0	0	0	0	108.8
1284	K	70.7	Confident	78.2	Confident	140 Å²	140	120.1 Å²	120.1	61%	0.609	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-97.7	131.2	173.7	-174.5	-175.5	172.2	-171	0	109.6	M1286 E1287	K1284-M1286 PolarHBondContact O-N 3.12Å; K1284-E1287 IonicContact NZ-OE1 3.79Å; K1284-E1287 PolarHBondContact NZ-OE1 3.29Å
1285	K	77.2	Confident	77.5	Confident	188 Å²	188	124.1 Å²	124.1	82%	0.817	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-61	128.3	170.8	-174.5	176.1	179.9	178.5	0	109.8
1286	M	66.7	Low	76.9	Confident	116 Å²	116	124.8 Å²	124.8	57%	0.571	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-65.9	134.7	174.9	-61.5	-173.2	71.3	0	0	110.4	K1284 I1290	K1284-M1286 PolarHBondContact O-N 3.12Å; M1286-I1290 HydrophobicContact CE-CD1 3.56Å; M1286-I1290 HydrophobicContact CE-CG1 3.99Å; M1286-I1290 HydrophobicContact SD-CD1 3.73Å; M1286-I1290 HydrophobicContact SD-CG1 4.37Å
1287	E	69.5	Low	76.6	Confident	165 Å²	165	125.8 Å²	125.8	77%	0.771	58%	0.583	S	S	*	*	S	Bend	trans	-78.7	-24.6	-178.9	-71.1	171.2	-153.2	0	0	112.4	K1284	K1284-E1287 IonicContact NZ-OE1 3.79Å; K1284-E1287 PolarHBondContact NZ-OE1 3.29Å
1288	K	62.7	Low	76.1	Confident	181 Å²	181	124.3 Å²	124.3	79%	0.787	58%	0.579	S	S	*	*	S	Bend	trans	-109.7	126.8	168.8	-75.2	-177.1	176	-179.3	0	109.3	I1290	K1288-I1290 PolarHBondContact O-N 2.88Å
1289	L	61	Low	75.9	Confident	171 Å²	171	127.4 Å²	127.4	90%	0.895	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-64.4	122.5	168.7	-93.7	135.1	0	0	0	108.7
1290	I	67.9	Low	75.9	Confident	46 Å²	46	130 Å²	130	24%	0.236	61%	0.611	C	S	.	*	P	Polyproline II helix	trans	-68.5	140.1	163.2	-65.2	170.2	0	0	0	107.1	M1286 K1288 K1292 Y1294 W1295	M1286-I1290 HydrophobicContact CE-CD1 3.56Å; M1286-I1290 HydrophobicContact CE-CG1 3.99Å; M1286-I1290 HydrophobicContact SD-CD1 3.73Å; M1286-I1290 HydrophobicContact SD-CG1 4.37Å; K1288-I1290 PolarHBondContact O-N 2.88Å; I1290-K1292 PolarHBondContact O-N 3.15Å; I1290-Y1294 HydrophobicContact CG2-CD1 3.52Å; I1290-Y1294 HydrophobicContact CG2-CE1 4.26Å; I1290-Y1294 HydrophobicContact CG2-CG 4.39Å; I1290-W1295 HydrophobicContact CB-CG 4.16Å; I1290-W1295 HydrophobicContact CD1-CD2 4.19Å; I1290-W1295 HydrophobicContact CD1-CH2 4.14Å; I1290-W1295 HydrophobicContact CD1-CZ2 3.38Å; I1290-W1295 HydrophobicContact CG2-CB 4.18Å; I1290-W1295 HydrophobicContact CG2-CD2 4.04Å; I1290-W1295 HydrophobicContact CG2-CG 3.71Å
1291	S	73.7	Confident	76.3	Confident	70 Å²	70	128.1 Å²	128.1	49%	0.49	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-47.4	123.4	172.5	155.7	0	0	0	0	110	L1293 Y1294 W1295	S1291-L1293 PolarHBondContact O-N 2.96Å; S1291-L1293 PolarHBondContact OG-N 3.48Å; S1291-Y1294 PolarHBondContact O-N 3.26Å; S1291-Y1294 VanDerWaalsContact O-N 3.14Å; S1291-Y1294 PolarHBondContact OG-N 3.26Å; S1291-Y1294 VanDerWaalsContact OG-N 3.12Å; S1291-W1295 PolarHBondContact O-N 3.15Å
1292	K	75.7	Confident	76.5	Confident	185 Å²	185	122.5 Å²	122.5	80%	0.804	58%	0.583	S	S	*	*	H	α-helix	trans	-52.8	-37.5	176.7	-91.7	-175.1	175	-178.5	0	111.6	I1290 H1296	I1290-K1292 PolarHBondContact O-N 3.15Å; K1292-H1296 VanDerWaalsContact O-CB 3.28Å; K1292-H1296 WeakPolarHBondContact O-CB 3.37Å; K1292-H1296 PolarHBondContact O-N 3.35Å
1293	L	81.7	Confident	76.9	Confident	120 Å²	120	116.3 Å²	116.3	63%	0.628	57%	0.573	S	S	*	*	H	α-helix	trans	-69.7	-45.7	179.5	-174	67.2	0	0	0	111.9	S1291 W1295 H1296 N1297	S1291-L1293 PolarHBondContact O-N 2.96Å; S1291-L1293 PolarHBondContact OG-N 3.48Å; L1293-W1295 VanDerWaalsContact C-N 3.3Å; L1293-W1295 PolarHBondContact O-N 2.83Å; L1293-H1296 PolarHBondContact O-N 2.67Å; L1293-N1297 PolarHBondContact O-N 3.21Å
1294	Y	77	Confident	77.3	Confident	140 Å²	140	115.8 Å²	115.8	55%	0.549	56%	0.564	S	S	.	*	H	α-helix	trans	-60	-44.5	174.2	175.3	-90.3	0	0	0	110.8	I1290 S1291 H1296 N1297 F1298	I1290-Y1294 HydrophobicContact CG2-CD1 3.52Å; I1290-Y1294 HydrophobicContact CG2-CE1 4.26Å; I1290-Y1294 HydrophobicContact CG2-CG 4.39Å; S1291-Y1294 PolarHBondContact O-N 3.26Å; S1291-Y1294 VanDerWaalsContact O-N 3.14Å; S1291-Y1294 PolarHBondContact OG-N 3.26Å; S1291-Y1294 VanDerWaalsContact OG-N 3.12Å; Y1294-H1296 PolarHBondContact O-N 3.31Å; Y1294-N1297 PolarHBondContact O-N 3.41Å; Y1294-F1298 WeakPolarHBondContact O-CB 3.21Å; Y1294-F1298 PolarHBondContact O-N 2.89Å
1295	W	75.9	Confident	78	Confident	98 Å²	98	115.8 Å²	115.8	37%	0.371	56%	0.564	S	S	.	*	H	α-helix	trans	-64.4	-42.3	-179.2	-115.7	160.1	0	0	0	112.2	I1290 S1291 L1293 F1298 L1299	I1290-W1295 HydrophobicContact CB-CG 4.16Å; I1290-W1295 HydrophobicContact CD1-CD2 4.19Å; I1290-W1295 HydrophobicContact CD1-CH2 4.14Å; I1290-W1295 HydrophobicContact CD1-CZ2 3.38Å; I1290-W1295 HydrophobicContact CG2-CB 4.18Å; I1290-W1295 HydrophobicContact CG2-CD2 4.04Å; I1290-W1295 HydrophobicContact CG2-CG 3.71Å; S1291-W1295 PolarHBondContact O-N 3.15Å; L1293-W1295 VanDerWaalsContact C-N 3.3Å; L1293-W1295 PolarHBondContact O-N 2.83Å; W1295-F1298 HydrophobicContact CE3-CB 4.06Å; W1295-F1298 AromaticContact CE3-CD1 3.5Å; W1295-F1298 HydrophobicContact CE3-CD1 3.5Å; W1295-F1298 VanDerWaalsContact CE3-CD1 3.5Å; W1295-F1298 HydrophobicContact CE3-CE1 4.12Å; W1295-F1298 AromaticContact CE3-CG 3.98Å; W1295-F1298 HydrophobicContact CE3-CG 3.98Å; W1295-F1298 HydrophobicContact CH2-CD1 4.35Å; W1295-F1298 HydrophobicContact CH2-CE1 4.15Å; W1295-F1298 HydrophobicContact CZ3-CB 4.39Å; W1295-F1298 AromaticContact CZ3-CD1 3.17Å; W1295-F1298 HydrophobicContact CZ3-CD1 3.17Å; W1295-F1298 AromaticContact CZ3-CE1 3.33Å; W1295-F1298 HydrophobicContact CZ3-CE1 3.33Å; W1295-F1298 AromaticContact CZ3-CG 3.82Å; W1295-F1298 HydrophobicContact CZ3-CG 3.82Å; W1295-F1298 HydrophobicContact CZ3-CZ 4.1Å; W1295-L1299 WeakPolarHBondContact O-CB 3.26Å; W1295-L1299 VanDerWaalsContact O-CG 3.24Å; W1295-L1299 WeakPolarHBondContact O-CG 3.26Å; W1295-L1299 PolarHBondContact O-N 3.13Å
1296	H	84.7	Confident	78.2	Confident	117 Å²	117	114.2 Å²	114.2	54%	0.542	56%	0.557	S	S	.	*	H	α-helix	trans	-59.8	-50.7	175.3	-177.1	79	0	0	0	111.2	K1292 L1293 Y1294 F1298 L1299 V1300	K1292-H1296 VanDerWaalsContact O-CB 3.28Å; K1292-H1296 WeakPolarHBondContact O-CB 3.37Å; K1292-H1296 PolarHBondContact O-N 3.35Å; L1293-H1296 PolarHBondContact O-N 2.67Å; Y1294-H1296 PolarHBondContact O-N 3.31Å; H1296-F1298 PolarHBondContact O-N 3.38Å; H1296-L1299 PolarHBondContact O-N 3.03Å; H1296-V1300 WeakPolarHBondContact O-CG2 3.47Å; H1296-V1300 PolarHBondContact O-N 3.23Å
1297	N	86.5	Confident	79	Confident	91 Å²	91	119.4 Å²	119.4	49%	0.487	57%	0.57	S	S	.	*	H	α-helix	trans	-61.8	-43.2	-179.8	-70	-7.7	0	0	0	112.2	L1293 Y1294 L1299 V1300 E1301	L1293-N1297 PolarHBondContact O-N 3.21Å; Y1294-N1297 PolarHBondContact O-N 3.41Å; N1297-L1299 PolarHBondContact O-N 3.5Å; N1297-V1300 PolarHBondContact O-N 2.94Å; N1297-E1301 WeakPolarHBondContact O-CB 3.2Å; N1297-E1301 PolarHBondContact O-N 3.36Å
1298	F	82	Confident	79.4	Confident	69 Å²	69	116.5 Å²	116.5	30%	0.303	57%	0.566	S	S	.	*	H	α-helix	trans	-61.9	-42.7	175	174.5	-89.2	0	0	0	112.3	Y1294 W1295 H1296 V1300 E1301 I1302	Y1294-F1298 WeakPolarHBondContact O-CB 3.21Å; Y1294-F1298 PolarHBondContact O-N 2.89Å; W1295-F1298 HydrophobicContact CE3-CB 4.06Å; W1295-F1298 AromaticContact CE3-CD1 3.5Å; W1295-F1298 HydrophobicContact CE3-CD1 3.5Å; W1295-F1298 VanDerWaalsContact CE3-CD1 3.5Å; W1295-F1298 HydrophobicContact CE3-CE1 4.12Å; W1295-F1298 AromaticContact CE3-CG 3.98Å; W1295-F1298 HydrophobicContact CE3-CG 3.98Å; W1295-F1298 HydrophobicContact CH2-CD1 4.35Å; W1295-F1298 HydrophobicContact CH2-CE1 4.15Å; W1295-F1298 HydrophobicContact CZ3-CB 4.39Å; W1295-F1298 AromaticContact CZ3-CD1 3.17Å; W1295-F1298 HydrophobicContact CZ3-CD1 3.17Å; W1295-F1298 AromaticContact CZ3-CE1 3.33Å; W1295-F1298 HydrophobicContact CZ3-CE1 3.33Å; W1295-F1298 AromaticContact CZ3-CG 3.82Å; W1295-F1298 HydrophobicContact CZ3-CG 3.82Å; W1295-F1298 HydrophobicContact CZ3-CZ 4.1Å; H1296-F1298 PolarHBondContact O-N 3.38Å; F1298-V1300 VanDerWaalsContact C-N 3.35Å; F1298-E1301 PolarHBondContact O-N 3.22Å; F1298-I1302 HydrophobicContact CD1-CD1 4.05Å; F1298-I1302 HydrophobicContact CD1-CG1 4.34Å; F1298-I1302 HydrophobicContact CD2-CD1 4.42Å; F1298-I1302 HydrophobicContact CE1-CD1 3.28Å; F1298-I1302 HydrophobicContact CE1-CG1 4.04Å; F1298-I1302 HydrophobicContact CE2-CD1 3.71Å; F1298-I1302 HydrophobicContact CE2-CG1 4.25Å; F1298-I1302 HydrophobicContact CZ-CD1 3.12Å; F1298-I1302 HydrophobicContact CZ-CG1 4.04Å; F1298-I1302 WeakPolarHBondContact O-CB 3.48Å; F1298-I1302 WeakPolarHBondContact O-CG1 3.43Å; F1298-I1302 PolarHBondContact O-N 2.76Å
1299	L	83.6	Confident	80.2	Confident	107 Å²	107	116.4 Å²	116.4	56%	0.56	57%	0.573	S	S	*	*	H	α-helix	trans	-64.3	-40.5	177.6	-76.7	170.3	0	0	0	111.6	W1295 H1296 N1297 A1303	W1295-L1299 WeakPolarHBondContact O-CB 3.26Å; W1295-L1299 VanDerWaalsContact O-CG 3.24Å; W1295-L1299 WeakPolarHBondContact O-CG 3.26Å; W1295-L1299 PolarHBondContact O-N 3.13Å; H1296-L1299 PolarHBondContact O-N 3.03Å; N1297-L1299 PolarHBondContact O-N 3.5Å; L1299-A1303 WeakPolarHBondContact O-CB 3.39Å; L1299-A1303 PolarHBondContact O-N 3.36Å
1300	V	88	Confident	81.3	Confident	66 Å²	66	114.4 Å²	114.4	40%	0.4	57%	0.567	S	S	.	*	H	α-helix	trans	-62.1	-48.7	174.3	172	0	0	0	0	110.4	H1296 N1297 F1298 I1302 A1303 L1304	H1296-V1300 WeakPolarHBondContact O-CG2 3.47Å; H1296-V1300 PolarHBondContact O-N 3.23Å; N1297-V1300 PolarHBondContact O-N 2.94Å; F1298-V1300 VanDerWaalsContact C-N 3.35Å; V1300-I1302 PolarHBondContact O-N 3.23Å; V1300-A1303 PolarHBondContact O-N 3.36Å; V1300-L1304 HydrophobicContact CG1-CD1 3.88Å; V1300-L1304 HydrophobicContact CG1-CG 4.42Å; V1300-L1304 WeakPolarHBondContact O-CB 3.37Å; V1300-L1304 VanDerWaalsContact O-CG 3.27Å; V1300-L1304 WeakPolarHBondContact O-CG 3.33Å; V1300-L1304 PolarHBondContact O-N 3.45Å
1301	E	88.6	Confident	82	Confident	100 Å²	100	115.9 Å²	115.9	47%	0.467	59%	0.586	S	S	.	*	H	α-helix	trans	-60.3	-43.5	179.6	-163.3	-161.5	148.9	0	0	112.1	N1297 F1298 K1305	N1297-E1301 WeakPolarHBondContact O-CB 3.2Å; N1297-E1301 PolarHBondContact O-N 3.36Å; F1298-E1301 PolarHBondContact O-N 3.22Å; E1301-K1305 WeakPolarHBondContact O-CG 3.37Å; E1301-K1305 PolarHBondContact O-N 3.24Å; E1301-K1305 IonicContact OE1-NZ 3.27Å; E1301-K1305 PolarHBondContact OE1-NZ 2.78Å
1302	I	83.1	Confident	82.3	Confident	58 Å²	58	116.3 Å²	116.3	30%	0.297	59%	0.594	S	S	.	*	H	α-helix	trans	-69.7	-41.7	176.7	-71.2	-159	0	0	0	111.7	F1298 V1300 L1304 K1305 K1306	F1298-I1302 HydrophobicContact CD1-CD1 4.05Å; F1298-I1302 HydrophobicContact CD1-CG1 4.34Å; F1298-I1302 HydrophobicContact CD2-CD1 4.42Å; F1298-I1302 HydrophobicContact CE1-CD1 3.28Å; F1298-I1302 HydrophobicContact CE1-CG1 4.04Å; F1298-I1302 HydrophobicContact CE2-CD1 3.71Å; F1298-I1302 HydrophobicContact CE2-CG1 4.25Å; F1298-I1302 HydrophobicContact CZ-CD1 3.12Å; F1298-I1302 HydrophobicContact CZ-CG1 4.04Å; F1298-I1302 WeakPolarHBondContact O-CB 3.48Å; F1298-I1302 WeakPolarHBondContact O-CG1 3.43Å; F1298-I1302 PolarHBondContact O-N 2.76Å; V1300-I1302 PolarHBondContact O-N 3.23Å; I1302-L1304 VanDerWaalsContact C-N 3.31Å; I1302-L1304 PolarHBondContact O-N 3.31Å; I1302-K1305 PolarHBondContact O-N 2.79Å; I1302-K1305 VanDerWaalsContact O-N 3.15Å; I1302-K1306 HydrophobicContact CG2-CD 4.17Å; I1302-K1306 HydrophobicContact CG2-CG 4.4Å; I1302-K1306 WeakPolarHBondContact O-CG 3.46Å; I1302-K1306 PolarHBondContact O-N 2.97Å; I1302-K1306 VanDerWaalsContact O-N 3.14Å
1303	A	82.2	Confident	82.4	Confident	63 Å²	63	117.1 Å²	117.1	52%	0.521	60%	0.598	S	S	.	*	H	α-helix	trans	-61.4	-41.8	179.3	0	0	0	0	0	111.1	L1299 V1300 K1305 K1306	L1299-A1303 WeakPolarHBondContact O-CB 3.39Å; L1299-A1303 PolarHBondContact O-N 3.36Å; V1300-A1303 PolarHBondContact O-N 3.36Å; A1303-K1305 VanDerWaalsContact C-N 3.27Å; A1303-K1305 PolarHBondContact O-N 2.96Å; A1303-K1306 PolarHBondContact O-N 3.28Å
1304	L	84.3	Confident	82.1	Confident	140 Å²	140	117.1 Å²	117.1	73%	0.733	60%	0.598	S	S	*	*	H	α-helix	trans	-64.2	-29.4	175.6	-70.3	170.3	0	0	0	113.2	V1300 I1302	V1300-L1304 HydrophobicContact CG1-CD1 3.88Å; V1300-L1304 HydrophobicContact CG1-CG 4.42Å; V1300-L1304 WeakPolarHBondContact O-CB 3.37Å; V1300-L1304 VanDerWaalsContact O-CG 3.27Å; V1300-L1304 WeakPolarHBondContact O-CG 3.33Å; V1300-L1304 PolarHBondContact O-N 3.45Å; I1302-L1304 VanDerWaalsContact C-N 3.31Å; I1302-L1304 PolarHBondContact O-N 3.31Å
1305	K	85.9	Confident	81.8	Confident	141 Å²	141	115.9 Å²	115.9	61%	0.613	61%	0.609	S	S	*	*	H	α-helix	trans	-80.9	-20	177.3	-73.8	172.7	176.6	172.9	0	113.4	E1301 I1302 A1303 R1307	E1301-K1305 WeakPolarHBondContact O-CG 3.37Å; E1301-K1305 PolarHBondContact O-N 3.24Å; E1301-K1305 IonicContact OE1-NZ 3.27Å; E1301-K1305 PolarHBondContact OE1-NZ 2.78Å; I1302-K1305 PolarHBondContact O-N 2.79Å; I1302-K1305 VanDerWaalsContact O-N 3.15Å; A1303-K1305 VanDerWaalsContact C-N 3.27Å; A1303-K1305 PolarHBondContact O-N 2.96Å; K1305-R1307 PolarHBondContact O-N 3.09Å
1306	K	82.5	Confident	81.1	Confident	154 Å²	154	115.8 Å²	115.8	67%	0.67	61%	0.613	S	S	*	*			trans	-82	97.7	-179.7	-75.2	179	176.4	-175.5	0	110.6	I1302 A1303	I1302-K1306 HydrophobicContact CG2-CD 4.17Å; I1302-K1306 HydrophobicContact CG2-CG 4.4Å; I1302-K1306 WeakPolarHBondContact O-CG 3.46Å; I1302-K1306 PolarHBondContact O-N 2.97Å; I1302-K1306 VanDerWaalsContact O-N 3.14Å; A1303-K1306 PolarHBondContact O-N 3.28Å
1307	R	82.7	Confident	80.4	Confident	226 Å²	226	115.6 Å²	115.6	85%	0.853	62%	0.624	S	S	*	*			trans	-81.9	-44.6	178.1	-57.4	-177.1	179.7	-174.2	-1.1	114.3	K1305	K1305-R1307 PolarHBondContact O-N 3.09Å
1308	P	78.5	Confident	79.3	Confident	104 Å²	104	117.7 Å²	117.7	68%	0.675	65%	0.645	S	S	*	*			trans	-72.9	133.4	179.3	-14	30.3	0	0	0	110.7
1309	L	79.6	Confident	77.9	Confident	178 Å²	178	121.7 Å²	121.7	93%	0.932	68%	0.676	S	S	*	*	S	Bend	trans	-70.2	-40.7	-176.6	-67.6	173.2	0	0	0	112.8
1310	V	82.5	Confident	77.7	Confident	129 Å²	129	122.5 Å²	122.5	78%	0.782	68%	0.681	S	S	*	*			trans	-139.8	140.7	-177.6	-179	0	0	0	0	108.5
1311	A	82.8	Confident	77.1	Confident	77 Å²	77	125.4 Å²	125.4	64%	0.636	70%	0.696	S	S	*	*			trans	-129.4	138.2	171	0	0	0	0	0	109	F1313	A1311-F1313 HydrophobicContact CB-CE2 4.25Å
1312	A	79.8	Confident	76.5	Confident	79 Å²	79	126.8 Å²	126.8	65%	0.653	71%	0.709	S	S	*	*			trans	-126.1	132	174	0	0	0	0	0	109.3	I1314	A1312-I1314 HydrophobicContact CB-CD1 4.29Å; A1312-I1314 HydrophobicContact CB-CG1 4.34Å
1313	F	78.9	Confident	76.1	Confident	202 Å²	202	130.9 Å²	130.9	89%	0.886	73%	0.733	S	S	*	*			trans	-111.2	104.9	174.8	-64.8	-95.3	0	0	0	107.4	A1311	A1311-F1313 HydrophobicContact CB-CE2 4.25Å
1314	I	76	Confident	75.7	Confident	121 Å²	121	135.1 Å²	135.1	62%	0.621	75%	0.746	S	S	*	*			trans	-121.1	117.3	-174.6	-57.7	172.4	0	0	0	107.7	A1312 H1316	A1312-I1314 HydrophobicContact CB-CD1 4.29Å; A1312-I1314 HydrophobicContact CB-CG1 4.34Å; I1314-H1316 WeakPolarHBondContact CG2-O 3.33Å
1315	S	69	Low	75.1	Confident	114 Å²	114	134.8 Å²	134.8	80%	0.797	75%	0.747	S	S	*	*	S	Bend	trans	-93.9	-24.4	-179.6	59.7	0	0	0	0	113.4
1316	H	62.7	Low	74.4	Confident	95 Å²	95	134.4 Å²	134.4	44%	0.44	76%	0.757	S	S	.	*	S	Bend	trans	-114	110.9	176.1	-74.8	62.3	0	0	0	108.8	I1314 T1319	I1314-H1316 WeakPolarHBondContact CG2-O 3.33Å; H1316-T1319 HydrophobicContact CB-CG2 3.39Å; H1316-T1319 WeakPolarHBondContact O-CG2 3.23Å; H1316-T1319 PolarHBondContact O-OG1 3.42Å
1317	C	68.4	Low	73.7	Confident	114 Å²	114	132.8 Å²	132.8	77%	0.77	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	149.5	174.9	-59.8	0	0	0	0	110.5	T1319	C1317-T1319 VanDerWaalsContact C-N 3.27Å; C1317-T1319 PolarHBondContact O-N 3.16Å
1318	S	63.5	Low	73	Confident	134 Å²	134	125.1 Å²	125.1	94%	0.937	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.8	22	178.7	-47.8	0	0	0	0	115.7
1319	T	54.1	Low	72.5	Confident	154 Å²	154	127 Å²	127	95%	0.945	76%	0.764	S	S	*	*			trans	-72.3	0	169.1	53.6	0	0	0	0	113	H1316 C1317	H1316-T1319 HydrophobicContact CB-CG2 3.39Å; H1316-T1319 WeakPolarHBondContact O-CG2 3.23Å; H1316-T1319 PolarHBondContact O-OG1 3.42Å; C1317-T1319 VanDerWaalsContact C-N 3.27Å; C1317-T1319 PolarHBondContact O-N 3.16Å

Retrieved 1,319 of 1,319 residues in 1278.8 ms (Link to these results)

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