A0A096NQ94_PAPAN Loading...

WD repeat-containing protein 35

As a component of the IFT complex A (IFT-A), a complex required for retrograde ciliary transport and entry into cilia of G protein-coupled receptors (GPCRs), it is involved in ciliogenesis and ciliary protein trafficking. May promote CASP3 activation and TNF-stimulated apoptosis.

AlphaFold DB , UniProt , Accession A0A096NQ94, Species PAPAN (Papio anubis, Olive baboon), Gene WDR35, Length 1,181 aa.

						>A0A096NQ94_PAPAN|A0A096NQ94|WDR35
MFFYLTKKISIPNNVKLKCVSWNKEQGFIACGGEDGLLKVLKLETQTDDAKLRGLAAPSNLSMNQTLEGHNGSVQVVTWNEQYQKLTTSDENGLIIVWMLYKGSWYEEMINNRNKSVVRSMSWNADGQKICIVYEDGAVIVGSVDGNRIWGKDLKGIQLSHVTWSADSKVLLFGMANGEIHIYDNQGNFIMKMKLSCLVNVTGAISIAGIHWYHGTEGYVEPDCPCLAVCFDNGRCQIMRHENDQNPVLIDTGMYVVGIQWNHMGSVLAVAGFQKAAAQDKDVNIVQFYTPFGEHLGTLKVPGKEISALSWEGGGLKIALAVDSFIYFANIRPNYKWSYCSNTVVYAYTRPDRPEHCVVFWDTKNNEKHVKYVKGLISITTCGDFCILATKADENHPQEENEMETFGATFVLVLCNSIGTPLDPKYIDIVPLFVAMTKTHVIAASKEAFYTWQYRVAKKLTALEINQITRSRKEGRERIYHVDDTPSGSMDGVLDYSKAIQGTRDPICAITASDKILIVGRESGTIQRYSLPNVGLIQKYSLNCRGYQLSLNCNSSRLAIIDISGVLTFFDLDARVTDSTGQQVVGELLKLERRDVWDMKWAKDNPDLFAMMEKTRMYVFRNLDPEEPIQTSGYICNFEDLEIKSVLLDEILKDPEHPNKDYLINFEIRSLRDSRALIEKVGIKDASQFIEDNPHPRLWRLLAEAALQKLDLYTAEQAFVRCKDYQGIKFVKRLGKLLSESMKQAEVVGYFGRFEEAERTYLEMDRRDLAIGLRLKLGDWFRVLQLLKTGSGDADDSLMEQANNAIGDYFADRQKWLNAVQYYVQGRNQERLAECYYMLEDYEGLENLAVSLPENHKLLPEIAQMFVRVGMCEQAVTAFLKCNQPKAAVDTCVHLNQWNKAVELAQNHSMKEIGSLLARYASHLLEKNKTLDAIELYRKANYFFDAAKLMFKIADEEAKKGSKPLRVKKLYVLSALLIEQYHEQMKNAQRGKVKGKSSEATSALAGLLEEEVLSTTDRFTDNAWRGAEAYHFFILAQRQLYEGYVDTALKTALHLKDYEDIIPPVEIYSLLALCACASRAFGTCSKAFIKLKSLETLSSEQKQQYEDLALEIFTKHTSKDNRKPELDSLMEGGEGKLPTCVATGSPITEYQFWMCSVCKHGVLAQEISHYSFCPLCHSPVA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	79.8	Confident	85.1	Confident	65 Å²	65	43.5 Å²	43.5	32%	0.32	23%	0.228	S	C	.	.				0	146	0	-175.1	175.2	-92.5	0	0	106.8	F3 V267 L296 I331 R332 P333	M1-F3 HydrophobicContact CB-CE2 3.96Å; M1-F3 HydrophobicContact CB-CZ 3.82Å; M1-F3 HydrophobicContact CG-CE1 3.89Å; M1-F3 HydrophobicContact CG-CE2 3.99Å; M1-F3 HydrophobicContact CG-CZ 3.48Å; M1-F3 VanDerWaalsContact CG-CZ 3.48Å; M1-F3 HydrophobicContact SD-CE1 3.58Å; M1-F3 VanDerWaalsContact SD-CE1 3.58Å; M1-F3 HydrophobicContact SD-CE2 4.41Å; M1-F3 HydrophobicContact SD-CZ 3.38Å; M1-F3 WeakPolarHBondContact SD-CZ 3.35Å; M1-V267 HydrophobicContact CE-CG2 3.85Å; M1-V267 HydrophobicContact SD-CG2 4.11Å; M1-L296 HydrophobicContact SD-CD1 4.2Å; M1-I331 HydrophobicContact CE-CG2 4.25Å; M1-I331 HydrophobicContact CG-CG2 3.94Å; M1-I331 HydrophobicContact SD-CG2 3.54Å; M1-I331 VanDerWaalsContact SD-CG2 3.54Å; M1-R332 WeakPolarHBondContact CG-O 3.45Å; M1-P333 HydrophobicContact CE-CB 3.94Å; M1-P333 HydrophobicContact CE-CG 4.31Å
2	F	84.3	Confident	84.6	Confident	21 Å²	21	46.2 Å²	46.2	9%	0.092	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	139	-177.8	179.8	-100.4	0	0	0	111.6	Y4 R332 D595 W597	F2-Y4 AromaticContact CD1-CD1 3.61Å; F2-Y4 HydrophobicContact CD1-CD1 3.61Å; F2-Y4 HydrophobicContact CD1-CE1 4.24Å; F2-Y4 HydrophobicContact CD1-CG 4.47Å; F2-Y4 AromaticContact CE1-CD1 3.35Å; F2-Y4 HydrophobicContact CE1-CD1 3.35Å; F2-Y4 HydrophobicContact CE1-CE1 4.19Å; F2-Y4 AromaticContact CE1-CG 3.8Å; F2-Y4 HydrophobicContact CE1-CG 3.8Å; F2-Y4 HydrophobicContact CZ-CD1 4.45Å; F2-R332 HydrophobicContact CB-CB 4.17Å; F2-R332 PolarHBondContact N-O 2.85Å; F2-R332 PolarHBondContact O-N 2.85Å; F2-D595 VanDerWaalsContact CZ-C 3.48Å; F2-D595 VanDerWaalsContact CZ-CA 3.5Å; F2-D595 HydrophobicContact CZ-CB 3.92Å; F2-D595 WeakPolarHBondContact CZ-O 3.49Å; F2-W597 HydrophobicContact CB-CB 3.63Å; F2-W597 HydrophobicContact CD1-CB 3.48Å; F2-W597 VanDerWaalsContact CD1-CB 3.48Å; F2-W597 AromaticContact CD1-CD1 3.81Å; F2-W597 AromaticContact CD1-CG 3.86Å; F2-W597 HydrophobicContact CD1-CG 3.86Å; F2-W597 HydrophobicContact CD2-CB 3.9Å; F2-W597 HydrophobicContact CE1-CB 4.08Å; F2-W597 AromaticContact CE1-CD1 3.9Å; F2-W597 HydrophobicContact CE1-CG 4.33Å; F2-W597 HydrophobicContact CE2-CB 4.47Å; F2-W597 HydrophobicContact CG-CB 3.38Å; F2-W597 HydrophobicContact CG-CG 4.24Å
3	F	86.4	Confident	84.4	Confident	21 Å²	21	54.4 Å²	54.4	9%	0.092	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	128.5	-171.5	-51.7	-89.2	0	0	0	109.5	M1 F288 L296 L299 I331	M1-F3 HydrophobicContact CB-CE2 3.96Å; M1-F3 HydrophobicContact CB-CZ 3.82Å; M1-F3 HydrophobicContact CG-CE1 3.89Å; M1-F3 HydrophobicContact CG-CE2 3.99Å; M1-F3 HydrophobicContact CG-CZ 3.48Å; M1-F3 VanDerWaalsContact CG-CZ 3.48Å; M1-F3 HydrophobicContact SD-CE1 3.58Å; M1-F3 VanDerWaalsContact SD-CE1 3.58Å; M1-F3 HydrophobicContact SD-CE2 4.41Å; M1-F3 HydrophobicContact SD-CZ 3.38Å; M1-F3 WeakPolarHBondContact SD-CZ 3.35Å; F3-F288 HydrophobicContact CB-CE2 4.27Å; F3-F288 HydrophobicContact CD1-CD1 4.32Å; F3-F288 AromaticContact CD1-CD2 3.47Å; F3-F288 HydrophobicContact CD1-CD2 3.47Å; F3-F288 VanDerWaalsContact CD1-CD2 3.47Å; F3-F288 HydrophobicContact CD1-CE1 4.18Å; F3-F288 AromaticContact CD1-CE2 3.33Å; F3-F288 HydrophobicContact CD1-CE2 3.33Å; F3-F288 AromaticContact CD1-CG 3.98Å; F3-F288 HydrophobicContact CD1-CG 3.98Å; F3-F288 AromaticContact CD1-CZ 3.71Å; F3-F288 HydrophobicContact CD1-CZ 3.71Å; F3-F288 HydrophobicContact CD2-CD2 4.08Å; F3-F288 HydrophobicContact CD2-CE2 4.39Å; F3-F288 HydrophobicContact CE1-CB 3.91Å; F3-F288 AromaticContact CE1-CD1 3.73Å; F3-F288 HydrophobicContact CE1-CD1 3.73Å; F3-F288 AromaticContact CE1-CD2 3.32Å; F3-F288 HydrophobicContact CE1-CD2 3.32Å; F3-F288 HydrophobicContact CE1-CE1 4.02Å; F3-F288 AromaticContact CE1-CE2 3.66Å; F3-F288 HydrophobicContact CE1-CE2 3.66Å; F3-F288 AromaticContact CE1-CG 3.36Å; F3-F288 HydrophobicContact CE1-CG 3.36Å; F3-F288 AromaticContact CE1-CZ 3.99Å; F3-F288 HydrophobicContact CE1-CZ 3.99Å; F3-F288 HydrophobicContact CE2-CB 4.37Å; F3-F288 AromaticContact CE2-CD2 3.94Å; F3-F288 HydrophobicContact CE2-CD2 3.94Å; F3-F288 HydrophobicContact CE2-CG 4.36Å; F3-F288 AromaticContact CG-CD2 3.87Å; F3-F288 HydrophobicContact CG-CD2 3.87Å; F3-F288 AromaticContact CG-CE2 3.76Å; F3-F288 HydrophobicContact CG-CE2 3.76Å; F3-F288 HydrophobicContact CG-CZ 4.5Å; F3-F288 HydrophobicContact CZ-CB 3.61Å; F3-F288 HydrophobicContact CZ-CD1 4.34Å; F3-F288 AromaticContact CZ-CD2 3.56Å; F3-F288 HydrophobicContact CZ-CD2 3.56Å; F3-F288 HydrophobicContact CZ-CE2 4.3Å; F3-F288 AromaticContact CZ-CG 3.58Å; F3-F288 HydrophobicContact CZ-CG 3.58Å; F3-L296 HydrophobicContact CE2-CB 4.42Å; F3-L296 HydrophobicContact CZ-CB 4.16Å; F3-L299 HydrophobicContact CB-CB 4.4Å; F3-L299 HydrophobicContact CB-CD1 4.33Å; F3-I331 HydrophobicContact CD1-CB 4.38Å; F3-I331 HydrophobicContact CD1-CD1 4.39Å; F3-I331 HydrophobicContact CD1-CG1 3.89Å; F3-I331 HydrophobicContact CD1-CG2 3.98Å; F3-I331 HydrophobicContact CE1-CD1 4.46Å; F3-I331 HydrophobicContact CE1-CG1 4.27Å; F3-I331 HydrophobicContact CE1-CG2 3.71Å
4	Y	86.8	Confident	84.4	Confident	6 Å²	6	59.4 Å²	59.4	2%	0.024	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	146	179.1	64.9	-77.3	0	0	0	112.5	F2 T6 A329 N330 R332 K614 T615	F2-Y4 AromaticContact CD1-CD1 3.61Å; F2-Y4 HydrophobicContact CD1-CD1 3.61Å; F2-Y4 HydrophobicContact CD1-CE1 4.24Å; F2-Y4 HydrophobicContact CD1-CG 4.47Å; F2-Y4 AromaticContact CE1-CD1 3.35Å; F2-Y4 HydrophobicContact CE1-CD1 3.35Å; F2-Y4 HydrophobicContact CE1-CE1 4.19Å; F2-Y4 AromaticContact CE1-CG 3.8Å; F2-Y4 HydrophobicContact CE1-CG 3.8Å; F2-Y4 HydrophobicContact CZ-CD1 4.45Å; Y4-T6 HydrophobicContact CD2-CG2 3.64Å; Y4-T6 HydrophobicContact CE2-CG2 3.3Å; Y4-A329 CarbonylContact O-C 3.53Å; Y4-A329 VanDerWaalsContact O-CA 3.28Å; Y4-A329 WeakPolarHBondContact O-CA 3.16Å; Y4-N330 HydrophobicContact CD1-CB 4.29Å; Y4-N330 HydrophobicContact CE1-CB 3.69Å; Y4-N330 HydrophobicContact CE2-CB 4.12Å; Y4-N330 PolarHBondContact N-O 2.95Å; Y4-N330 VanDerWaalsContact N-O 3.11Å; Y4-N330 PolarHBondContact O-N 2.97Å; Y4-N330 PolarHBondContact OH-ND2 3.16Å; Y4-R332 HydrophobicContact CE1-CG 3.92Å; Y4-K614 HydrophobicContact CD2-CB 3.87Å; Y4-K614 HydrophobicContact CD2-CD 4.36Å; Y4-K614 HydrophobicContact CD2-CG 3.72Å; Y4-K614 HydrophobicContact CE2-CB 3.73Å; Y4-K614 HydrophobicContact CE2-CG 4.13Å; Y4-K614 HydrophobicContact CG-CG 4.29Å; Y4-T615 HydrophobicContact CE2-CG2 4.13Å; Y4-T615 WeakPolarHBondContact OH-CG2 3.45Å
5	L	86.1	Confident	84.7	Confident	49 Å²	49	56.9 Å²	56.9	26%	0.257	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	138.4	174.5	-67.9	173.1	0	0	0	110.7	L299 P302 Y327 A329	L5-L299 HydrophobicContact CD2-CD2 4.11Å; L5-L299 HydrophobicContact CG-CD1 4.31Å; L5-P302 HydrophobicContact CD1-CG 4.34Å; L5-Y327 HydrophobicContact CD2-CD1 4.5Å; L5-A329 HydrophobicContact CD2-CB 4Å
6	T	79.7	Confident	85.1	Confident	59 Å²	59	56.5 Å²	56.5	36%	0.362	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	-52.3	-177.3	53.3	0	0	0	0	113.2	Y4 F328 N330	Y4-T6 HydrophobicContact CD2-CG2 3.64Å; Y4-T6 HydrophobicContact CE2-CG2 3.3Å; T6-F328 PolarHBondContact N-O 3.25Å; T6-F328 PolarHBondContact OG1-O 3.33Å; T6-N330 HydrophobicContact CG2-CB 3.82Å; T6-N330 WeakPolarHBondContact CG2-ND2 3.24Å; T6-N330 PolarHBondContact OG1-OD1 3.43Å
7	K	79.3	Confident	85.6	Confident	55 Å²	55	53.2 Å²	53.2	24%	0.239	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151	-174.4	-173.5	173.9	179.9	-168	0	111.4	I9 S59 F328	K7-I9 HydrophobicContact CD-CG1 4.43Å; K7-S59 PolarHBondContact NZ-O 3.02Å; K7-F328 HydrophobicContact CB-CB 4.32Å; K7-F328 HydrophobicContact CB-CD2 4.01Å; K7-F328 HydrophobicContact CG-CD2 4.35Å; K7-F328 PolarHBondContact O-N 2.87Å
8	K	87.4	Confident	86	Confident	94 Å²	94	53.8 Å²	53.8	41%	0.409	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	131.5	170.6	179.4	-178.5	177.7	165.8	0	108.7	F325 I326 Y327	K8-F325 HydrophobicContact CD-CD1 4.13Å; K8-F325 HydrophobicContact CD-CG 4.41Å; K8-F325 HydrophobicContact CG-CB 4.27Å; K8-F325 HydrophobicContact CG-CD1 4.12Å; K8-F325 HydrophobicContact CG-CG 4.42Å; K8-I326 CarbonylContact C-O 3.57Å; K8-I326 WeakPolarHBondContact CA-O 3.37Å; K8-Y327 HydrophobicContact CB-CD1 4.07Å; K8-Y327 HydrophobicContact CB-CE1 4.02Å; K8-Y327 HydrophobicContact CD-CD1 4.42Å; K8-Y327 HydrophobicContact CD-CE1 3.59Å; K8-Y327 WeakPolarHBondContact CE-OH 3.38Å; K8-Y327 HydrophobicContact CG-CD1 4.14Å; K8-Y327 HydrophobicContact CG-CE1 3.79Å; K8-Y327 PolarHBondContact NZ-OH 3.45Å
9	I	88.6	Confident	86.3	Confident	19 Å²	19	51.6 Å²	51.6	10%	0.097	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	129.1	170.9	-63.3	178.9	0	0	0	107.8	K7 L41 L61 F325 I326 F328	K7-I9 HydrophobicContact CD-CG1 4.43Å; I9-L41 HydrophobicContact CD1-CD1 4.43Å; I9-L61 HydrophobicContact CD1-CD1 4.36Å; I9-L61 HydrophobicContact CD1-CD2 4Å; I9-L61 HydrophobicContact CD1-CG 4.49Å; I9-F325 CarbonylContact O-C 3.5Å; I9-F325 VanDerWaalsContact O-CA 3.29Å; I9-F325 WeakPolarHBondContact O-CA 3.09Å; I9-I326 HydrophobicContact CB-CB 4.38Å; I9-I326 PolarHBondContact N-O 3.01Å; I9-I326 PolarHBondContact O-N 3.37Å; I9-F328 HydrophobicContact CD1-CE2 3.54Å; I9-F328 HydrophobicContact CD1-CZ 4.04Å; I9-F328 HydrophobicContact CG1-CE2 3.87Å
10	S	89.4	Confident	86.8	Confident	83 Å²	83	49.6 Å²	49.6	58%	0.58	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.3	131.7	173.9	56.6	0	0	0	0	111.2
11	I	88.2	Confident	87.1	Confident	7 Å²	7	48.1 Å²	48.1	4%	0.036	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-83.4	137.1	172.1	-60	-57.5	0	0	0	109.5	V15 L17 L37 S324 I326	I11-V15 HydrophobicContact CG2-CB 4.43Å; I11-L17 HydrophobicContact CD1-CD1 4.42Å; I11-L17 HydrophobicContact CG1-CD1 3.82Å; I11-L17 HydrophobicContact CG1-CD2 4.02Å; I11-L17 HydrophobicContact CG1-CG 4.04Å; I11-L37 HydrophobicContact CG2-CD2 3.29Å; I11-S324 WeakPolarHBondContact CB-O 3.28Å; I11-S324 WeakPolarHBondContact CG1-O 3.39Å; I11-S324 PolarHBondContact N-O 3.09Å; I11-I326 HydrophobicContact CD1-CD1 4.22Å
12	P	79.3	Confident	87.7	Confident	75 Å²	75	45.4 Å²	45.4	49%	0.487	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-56.4	155.3	176.3	-23.7	33.7	0	0	0	112.8	N14	P12-N14 PolarHBondContact O-N 3.27Å
13	N	81.4	Confident	88	Confident	153 Å²	153	44.4 Å²	44.4	82%	0.818	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	60.4	12.1	176.2	-56.8	-18.8	0	0	0	116	V15	N13-V15 HydrophobicContact CB-CG2 4.03Å; N13-V15 PolarHBondContact O-N 3.17Å; N13-V15 VanDerWaalsContact O-N 3.15Å
14	N	84.4	Confident	87.9	Confident	125 Å²	125	45.8 Å²	45.8	67%	0.668	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	54.4	27.7	-176.9	-66.4	-42.4	0	0	0	114	P12 K16	P12-N14 PolarHBondContact O-N 3.27Å; N14-K16 PolarHBondContact O-N 3.29Å
15	V	89.8	Confident	87.7	Confident	21 Å²	21	51 Å²	51	13%	0.127	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-61.9	130.6	176	179.1	0	0	0	0	109.2	I11 N13 E34 L37 S324	I11-V15 HydrophobicContact CG2-CB 4.43Å; N13-V15 HydrophobicContact CB-CG2 4.03Å; N13-V15 PolarHBondContact O-N 3.17Å; N13-V15 VanDerWaalsContact O-N 3.15Å; V15-E34 HydrophobicContact CG1-CB 4.01Å; V15-E34 VanDerWaalsContact CG1-O 3.24Å; V15-E34 WeakPolarHBondContact CG1-O 3.41Å; V15-L37 HydrophobicContact CB-CD2 3.98Å; V15-L37 HydrophobicContact CG1-CB 4.08Å; V15-L37 HydrophobicContact CG1-CD2 3.85Å; V15-S324 WeakPolarHBondContact O-CA 3.27Å; V15-S324 VanDerWaalsContact O-CB 3.29Å; V15-S324 WeakPolarHBondContact O-CB 3.47Å
16	K	91.3	Very high	87.5	Confident	51 Å²	51	50.5 Å²	50.5	22%	0.222	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-74.4	129.7	178.6	-171.7	175.7	-178.8	178.7	0	109.9	N14 G33 E34 E305 D323	N14-K16 PolarHBondContact O-N 3.29Å; K16-G33 CarbonylContact O-C 3.55Å; K16-G33 WeakPolarHBondContact O-CA 3.03Å; K16-E34 HydrophobicContact CB-CG 4.4Å; K16-E34 PolarHBondContact O-N 2.95Å; K16-E305 IonicContact NZ-OE2 3.34Å; K16-E305 PolarHBondContact NZ-OE2 3.47Å; K16-D323 WeakPolarHBondContact CA-O 3.49Å
17	L	93.4	Very high	87.9	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	136.2	174.5	-66.6	179.6	0	0	0	110.3	I11 C31 L37 S307 A321 D323 I326	I11-L17 HydrophobicContact CD1-CD1 4.42Å; I11-L17 HydrophobicContact CG1-CD1 3.82Å; I11-L17 HydrophobicContact CG1-CD2 4.02Å; I11-L17 HydrophobicContact CG1-CG 4.04Å; L17-C31 HydrophobicContact CD1-CB 4.45Å; L17-C31 HydrophobicContact CD2-CB 4.13Å; L17-L37 HydrophobicContact CD2-CD2 4.26Å; L17-S307 VanDerWaalsContact O-CB 3.26Å; L17-S307 WeakPolarHBondContact O-CB 3.49Å; L17-S307 PolarHBondContact O-OG 3.41Å; L17-A321 HydrophobicContact CB-CB 3.98Å; L17-A321 HydrophobicContact CD1-CB 4.21Å; L17-D323 PolarHBondContact N-O 2.69Å; L17-I326 HydrophobicContact CD1-CD1 4.1Å; L17-I326 HydrophobicContact CD1-CG1 3.46Å; L17-I326 VanDerWaalsContact CD1-CG1 3.46Å
18	K	92.4	Very high	88.4	Confident	64 Å²	64	46.7 Å²	46.7	28%	0.278	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	-37.5	176	-63.8	-56.8	-161.1	-163.4	0	112.2	G32 E34 V74	K18-G32 PolarHBondContact N-O 2.88Å; K18-E34 VanDerWaalsContact CE-OE1 3.28Å; K18-E34 WeakPolarHBondContact CE-OE1 3.26Å; K18-E34 IonicContact NZ-OE1 3.17Å; K18-E34 PolarHBondContact NZ-OE1 3.35Å; K18-V74 WeakPolarHBondContact CB-O 3.14Å
19	C	92.3	Very high	88.7	Confident	12 Å²	12	42.2 Å²	42.2	8%	0.081	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	149.2	-175.7	55.6	0	0	0	0	111.8	C31 G32 V74 V77	C19-C31 WeakPolarHBondContact O-CA 3.49Å; C19-G32 PolarHBondContact N-O 3.48Å; C19-G32 PolarHBondContact O-N 3.03Å; C19-V74 PolarHBondContact SG-O 2.91Å; C19-V74 VanDerWaalsContact SG-O 3.4Å; C19-V77 WeakPolarHBondContact SG-CG2 3.22Å
20	V	95.1	Very high	89	Confident	11 Å²	11	41.3 Å²	41.3	7%	0.067	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	139	171.2	66.6	0	0	0	0	108.4	I29 A30 A308 A319 A321	V20-I29 HydrophobicContact CG2-CG2 3.76Å; V20-A30 CarbonylContact C-O 3.6Å; V20-A30 WeakPolarHBondContact CA-O 3.27Å; V20-A308 HydrophobicContact CG1-CB 3.86Å; V20-A319 HydrophobicContact CG2-CB 4.38Å; V20-A321 HydrophobicContact CB-CB 4.16Å; V20-A321 HydrophobicContact CG1-CB 3.98Å
21	S	94	Very high	89.2	Confident	19 Å²	19	37.4 Å²	37.4	13%	0.133	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	132.5	177.2	-168.2	0	0	0	0	109.9	A30 W79	S21-A30 PolarHBondContact N-O 3.46Å; S21-A30 PolarHBondContact O-N 3.36Å; S21-W79 VanDerWaalsContact C-NE1 3.35Å; S21-W79 PolarHBondContact O-NE1 2.95Å
22	W	92.9	Very high	89.5	Confident	8 Å²	8	37 Å²	37	3%	0.03	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.3	-174.2	-161.7	-18.1	0	0	0	109.1	G27 F28 I29 L43 S310 W311 E312 K317 A319 F328	W22-G27 PolarHBondContact NE1-O 2.8Å; W22-F28 CarbonylContact C-O 3.52Å; W22-F28 WeakPolarHBondContact CA-O 3.35Å; W22-F28 VanDerWaalsContact CD1-O 3.26Å; W22-I29 HydrophobicContact CB-CG1 4.32Å; W22-I29 HydrophobicContact CD2-CD1 4.01Å; W22-I29 HydrophobicContact CD2-CG1 3.61Å; W22-I29 HydrophobicContact CE3-CD1 4.4Å; W22-I29 HydrophobicContact CE3-CG1 4.34Å; W22-I29 HydrophobicContact CG-CG1 3.6Å; W22-I29 HydrophobicContact CH2-CD1 4.27Å; W22-I29 HydrophobicContact CZ2-CD1 3.88Å; W22-I29 HydrophobicContact CZ2-CG1 4.23Å; W22-L43 HydrophobicContact CH2-CD1 3.87Å; W22-L43 HydrophobicContact CZ2-CD1 3.81Å; W22-S310 WeakPolarHBondContact CB-OG 3.4Å; W22-S310 PolarHBondContact N-OG 2.77Å; W22-W311 WeakPolarHBondContact CB-O 3.28Å; W22-E312 HydrophobicContact CD2-CB 4.01Å; W22-E312 HydrophobicContact CE3-CB 3.94Å; W22-E312 HydrophobicContact CH2-CB 3.75Å; W22-E312 HydrophobicContact CH2-CG 4.09Å; W22-E312 HydrophobicContact CZ2-CB 3.79Å; W22-E312 HydrophobicContact CZ2-CG 3.75Å; W22-E312 HydrophobicContact CZ3-CB 3.82Å; W22-K317 HydrophobicContact CH2-CB 4.1Å; W22-K317 HydrophobicContact CH2-CD 4.42Å; W22-K317 HydrophobicContact CZ3-CB 4.17Å; W22-A319 HydrophobicContact CE3-CB 3.66Å; W22-A319 HydrophobicContact CZ3-CB 3.88Å; W22-F328 AromaticContact CH2-CD1 3.84Å; W22-F328 HydrophobicContact CH2-CD1 3.84Å; W22-F328 AromaticContact CH2-CE1 3.81Å; W22-F328 HydrophobicContact CH2-CE1 3.81Å; W22-F328 AromaticContact CZ3-CD1 3.76Å; W22-F328 HydrophobicContact CZ3-CD1 3.76Å; W22-F328 AromaticContact CZ3-CE1 3.77Å; W22-F328 HydrophobicContact CZ3-CE1 3.77Å
23	N	90.4	Very high	90.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	17%	0.174	C	C	.	.			trans	-63.1	131	176.5	179.5	-94.5	0	0	0	111	E25 Q26 G27 F28 W79 E81	N23-E25 PolarHBondContact OD1-N 3.22Å; N23-Q26 VanDerWaalsContact OD1-CA 3.31Å; N23-Q26 WeakPolarHBondContact OD1-CA 3.35Å; N23-Q26 WeakPolarHBondContact OD1-CB 3.42Å; N23-Q26 PolarHBondContact OD1-N 3.34Å; N23-G27 WeakPolarHBondContact O-CA 3.41Å; N23-G27 PolarHBondContact O-N 3.49Å; N23-G27 PolarHBondContact OD1-N 3.46Å; N23-F28 HydrophobicContact CB-CB 4.05Å; N23-F28 WeakPolarHBondContact CB-O 3.16Å; N23-F28 PolarHBondContact N-O 3.37Å; N23-W79 HydrophobicContact CB-CD2 3.7Å; N23-W79 HydrophobicContact CB-CE3 4.05Å; N23-W79 HydrophobicContact CB-CG 4.04Å; N23-W79 HydrophobicContact CB-CH2 4.42Å; N23-W79 HydrophobicContact CB-CZ2 4.08Å; N23-W79 HydrophobicContact CB-CZ3 4.38Å; N23-E81 WeakPolarHBondContact CA-OE1 3.48Å; N23-E81 PolarHBondContact ND2-OE1 2.7Å; N23-E81 PolarHBondContact ND2-OE2 2.74Å; N23-E81 PolarHBondContact OD1-OE2 3.43Å
24	K	83.3	Confident	90.7	Very high	49 Å²	49	29.1 Å²	29.1	21%	0.213	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-48.9	-174	179.4	-174.9	171.9	-168.8	0	111.9	E81 E217 H263 G313	K24-E81 HydrophobicContact CB-CG 4.39Å; K24-E81 VanDerWaalsContact N-CD 3.32Å; K24-E81 PolarHBondContact N-OE1 3.07Å; K24-E81 PolarHBondContact N-OE2 2.77Å; K24-E217 VanDerWaalsContact NZ-CG 3.28Å; K24-E217 IonicContact NZ-OE1 3.54Å; K24-E217 PolarHBondContact NZ-OE1 2.95Å; K24-H263 HydrophobicContact CD-CB 4.12Å; K24-H263 HydrophobicContact CG-CB 4.49Å; K24-G313 WeakPolarHBondContact O-CA 3.37Å
25	E	82.4	Confident	90.9	Very high	116 Å²	116	29.8 Å²	29.8	54%	0.542	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-46.2	-167.9	-65.2	-173.2	179.4	0	0	113.3	N23 E81	N23-E25 PolarHBondContact OD1-N 3.22Å; E25-E81 HydrophobicContact CG-CB 4.49Å; E25-E81 PolarHBondContact N-OE2 3.32Å; E25-E81 VanDerWaalsContact N-OE2 3.13Å
26	Q	83.1	Confident	90.8	Very high	38 Å²	38	29.2 Å²	29.2	18%	0.178	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-12.8	-173.3	-50.6	-177.9	-36.4	0	0	112.9	N23 F28 K42 Q84	N23-Q26 VanDerWaalsContact OD1-CA 3.31Å; N23-Q26 WeakPolarHBondContact OD1-CA 3.35Å; N23-Q26 WeakPolarHBondContact OD1-CB 3.42Å; N23-Q26 PolarHBondContact OD1-N 3.34Å; Q26-F28 HydrophobicContact CB-CD2 3.52Å; Q26-F28 HydrophobicContact CB-CE2 3.58Å; Q26-F28 HydrophobicContact CG-CD2 4.49Å; Q26-F28 HydrophobicContact CG-CE2 4.39Å; Q26-F28 VanDerWaalsContact OE1-CE2 3.25Å; Q26-K42 VanDerWaalsContact O-CE 3.28Å; Q26-K42 WeakPolarHBondContact O-CE 3.04Å; Q26-K42 PolarHBondContact O-NZ 3.35Å; Q26-Q84 VanDerWaalsContact NE2-OE1 3.16Å
27	G	86.7	Confident	90.9	Very high	23 Å²	23	28.2 Å²	28.2	24%	0.237	15%	0.148	C	C	.	.			trans	76.4	17.9	174.8	0	0	0	0	0	115.3	W22 N23	W22-G27 PolarHBondContact NE1-O 2.8Å; N23-G27 WeakPolarHBondContact O-CA 3.41Å; N23-G27 PolarHBondContact O-N 3.49Å; N23-G27 PolarHBondContact OD1-N 3.46Å
28	F	91.2	Very high	90.9	Very high	12 Å²	12	28.2 Å²	28.2	5%	0.053	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	143.8	173.8	-66.6	-70.7	0	0	0	112.3	W22 N23 Q26 V40 L41 K42 M63 W79 L100 W105	W22-F28 CarbonylContact C-O 3.52Å; W22-F28 WeakPolarHBondContact CA-O 3.35Å; W22-F28 VanDerWaalsContact CD1-O 3.26Å; N23-F28 HydrophobicContact CB-CB 4.05Å; N23-F28 WeakPolarHBondContact CB-O 3.16Å; N23-F28 PolarHBondContact N-O 3.37Å; Q26-F28 HydrophobicContact CB-CD2 3.52Å; Q26-F28 HydrophobicContact CB-CE2 3.58Å; Q26-F28 HydrophobicContact CG-CD2 4.49Å; Q26-F28 HydrophobicContact CG-CE2 4.39Å; Q26-F28 VanDerWaalsContact OE1-CE2 3.25Å; F28-V40 HydrophobicContact CB-CG1 4.12Å; F28-V40 HydrophobicContact CD1-CG1 4.05Å; F28-V40 HydrophobicContact CG-CG1 4.37Å; F28-L41 CarbonylContact C-O 3.59Å; F28-L41 WeakPolarHBondContact CA-O 3.4Å; F28-K42 HydrophobicContact CD1-CB 3.8Å; F28-K42 HydrophobicContact CD1-CD 3.86Å; F28-K42 HydrophobicContact CD1-CG 4.2Å; F28-K42 HydrophobicContact CE1-CB 3.94Å; F28-K42 HydrophobicContact CE1-CD 3.45Å; F28-K42 VanDerWaalsContact CE1-CD 3.45Å; F28-K42 HydrophobicContact CE1-CG 4.21Å; F28-K42 HydrophobicContact CZ-CD 3.86Å; F28-M63 HydrophobicContact CD1-SD 4.26Å; F28-M63 HydrophobicContact CE1-SD 3.56Å; F28-M63 VanDerWaalsContact CE1-SD 3.56Å; F28-M63 HydrophobicContact CZ-SD 4.45Å; F28-W79 HydrophobicContact CB-CH2 3.54Å; F28-W79 HydrophobicContact CB-CZ2 3.87Å; F28-W79 HydrophobicContact CB-CZ3 4.27Å; F28-W79 HydrophobicContact CG-CH2 4.44Å; F28-L100 HydrophobicContact CE2-CD2 4Å; F28-L100 HydrophobicContact CZ-CD2 4.1Å; F28-W105 AromaticContact CD2-CZ2 3.92Å; F28-W105 HydrophobicContact CD2-CZ2 3.92Å; F28-W105 HydrophobicContact CE2-CZ2 4.16Å; F28-W105 HydrophobicContact CG-CZ2 4.29Å
29	I	93.1	Very high	90.9	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.3	176	-57.4	158.8	0	0	0	107.6	V20 W22 V40 L41 L43 F328	V20-I29 HydrophobicContact CG2-CG2 3.76Å; W22-I29 HydrophobicContact CB-CG1 4.32Å; W22-I29 HydrophobicContact CD2-CD1 4.01Å; W22-I29 HydrophobicContact CD2-CG1 3.61Å; W22-I29 HydrophobicContact CE3-CD1 4.4Å; W22-I29 HydrophobicContact CE3-CG1 4.34Å; W22-I29 HydrophobicContact CG-CG1 3.6Å; W22-I29 HydrophobicContact CH2-CD1 4.27Å; W22-I29 HydrophobicContact CZ2-CD1 3.88Å; W22-I29 HydrophobicContact CZ2-CG1 4.23Å; I29-V40 CarbonylContact O-C 3.54Å; I29-V40 WeakPolarHBondContact O-CA 3.25Å; I29-L41 HydrophobicContact CB-CB 4.33Å; I29-L41 PolarHBondContact N-O 3.06Å; I29-L41 PolarHBondContact O-N 3.31Å; I29-L43 HydrophobicContact CD1-CD1 4.16Å; I29-L43 HydrophobicContact CD1-CG 4.14Å; I29-F328 HydrophobicContact CD1-CE1 3.6Å; I29-F328 HydrophobicContact CD1-CZ 3.77Å
30	A	94.6	Very high	91	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	130.7	172.2	0	0	0	0	0	109.2	V20 S21 K39 V40 V77 W79 L86	V20-A30 CarbonylContact C-O 3.6Å; V20-A30 WeakPolarHBondContact CA-O 3.27Å; S21-A30 PolarHBondContact N-O 3.46Å; S21-A30 PolarHBondContact O-N 3.36Å; A30-K39 CarbonylContact C-O 3.58Å; A30-K39 VanDerWaalsContact CA-O 3.32Å; A30-K39 WeakPolarHBondContact CA-O 3.37Å; A30-V40 HydrophobicContact CB-CG2 4.36Å; A30-V77 HydrophobicContact CB-CG1 3.5Å; A30-W79 HydrophobicContact CB-CH2 4.29Å; A30-W79 HydrophobicContact CB-CZ2 3.51Å; A30-L86 HydrophobicContact CB-CD1 3.93Å; A30-L86 HydrophobicContact CB-CD2 4.07Å
31	C	94.3	Very high	90.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.1	174	58.7	0	0	0	0	110.8	L17 C19 L38 K39 I326	L17-C31 HydrophobicContact CD1-CB 4.45Å; L17-C31 HydrophobicContact CD2-CB 4.13Å; C19-C31 WeakPolarHBondContact O-CA 3.49Å; C31-L38 WeakPolarHBondContact O-CA 3.48Å; C31-K39 PolarHBondContact N-O 3.24Å; C31-K39 PolarHBondContact O-N 2.8Å; C31-I326 HydrophobicContact CB-CD1 3.91Å
32	G	94.3	Very high	90.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	138.2	177	0	0	0	0	0	110.8	K18 C19 L37	K18-G32 PolarHBondContact N-O 2.88Å; C19-G32 PolarHBondContact N-O 3.48Å; C19-G32 PolarHBondContact O-N 3.03Å; G32-L37 CarbonylContact C-O 3.59Å; G32-L37 WeakPolarHBondContact CA-O 3.48Å
33	G	93.2	Very high	90	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	-170.8	179.8	0	0	0	0	0	113.5	K16 L37 V74	K16-G33 CarbonylContact O-C 3.55Å; K16-G33 WeakPolarHBondContact O-CA 3.03Å; G33-L37 PolarHBondContact N-O 2.93Å; G33-V74 PolarHBondContact O-N 3.24Å
34	E	92.3	Very high	89	Confident	61 Å²	61	31.7 Å²	31.7	29%	0.285	16%	0.161	S	C	.	.	S	Bend	trans	-66.2	164.1	170.8	-67	170.3	-177.2	0	0	110.9	V15 K16 K18 G36 L37	V15-E34 HydrophobicContact CG1-CB 4.01Å; V15-E34 VanDerWaalsContact CG1-O 3.24Å; V15-E34 WeakPolarHBondContact CG1-O 3.41Å; K16-E34 HydrophobicContact CB-CG 4.4Å; K16-E34 PolarHBondContact O-N 2.95Å; K18-E34 VanDerWaalsContact CE-OE1 3.28Å; K18-E34 WeakPolarHBondContact CE-OE1 3.26Å; K18-E34 IonicContact NZ-OE1 3.17Å; K18-E34 PolarHBondContact NZ-OE1 3.35Å; E34-G36 VanDerWaalsContact C-N 3.28Å; E34-G36 PolarHBondContact O-N 2.85Å; E34-L37 WeakPolarHBondContact O-CB 3.24Å; E34-L37 PolarHBondContact O-N 3.04Å
35	D	88.4	Confident	87.9	Confident	140 Å²	140	34.6 Å²	34.6	75%	0.749	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	34.9	177.7	-53.6	-35.4	0	0	0	114.9	L37	D35-L37 PolarHBondContact O-N 3.31Å
36	G	88.2	Confident	86.6	Confident	9 Å²	9	32 Å²	32	9%	0.093	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	7.6	177.5	0	0	0	0	0	115.1	E34 L38 H70 G72	E34-G36 VanDerWaalsContact C-N 3.28Å; E34-G36 PolarHBondContact O-N 2.85Å; G36-L38 PolarHBondContact O-N 3.49Å; G36-L38 VanDerWaalsContact O-N 3.1Å; G36-H70 WeakPolarHBondContact CA-O 3.16Å; G36-G72 WeakPolarHBondContact CA-O 3.47Å; G36-G72 PolarHBondContact N-O 3.31Å
37	L	92.4	Very high	84.8	Confident	30 Å²	30	34.7 Å²	34.7	16%	0.157	19%	0.19	C	C	.	.			trans	-62.9	116.4	-179	-179.9	75.3	0	0	0	111	I11 V15 L17 G32 G33 E34 D35 K39	I11-L37 HydrophobicContact CG2-CD2 3.29Å; V15-L37 HydrophobicContact CB-CD2 3.98Å; V15-L37 HydrophobicContact CG1-CB 4.08Å; V15-L37 HydrophobicContact CG1-CD2 3.85Å; L17-L37 HydrophobicContact CD2-CD2 4.26Å; G32-L37 CarbonylContact C-O 3.59Å; G32-L37 WeakPolarHBondContact CA-O 3.48Å; G33-L37 PolarHBondContact N-O 2.93Å; E34-L37 WeakPolarHBondContact O-CB 3.24Å; E34-L37 PolarHBondContact O-N 3.04Å; D35-L37 PolarHBondContact O-N 3.31Å; L37-K39 HydrophobicContact CD1-CD 4.31Å; L37-K39 HydrophobicContact CD1-CG 4.26Å
38	L	93.9	Very high	82.9	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	124.6	168.7	179.5	59.9	0	0	0	109.8	C31 G36 L67 V74 V77 T88 W98	C31-L38 WeakPolarHBondContact O-CA 3.48Å; G36-L38 PolarHBondContact O-N 3.49Å; G36-L38 VanDerWaalsContact O-N 3.1Å; L38-L67 HydrophobicContact CB-CB 4.3Å; L38-L67 HydrophobicContact CD2-CB 3.87Å; L38-L67 HydrophobicContact CD2-CD1 3.92Å; L38-L67 HydrophobicContact CD2-CG 4.44Å; L38-L67 HydrophobicContact CG-CB 3.97Å; L38-L67 HydrophobicContact CG-CD1 4.16Å; L38-L67 HydrophobicContact CG-CG 4.4Å; L38-L67 PolarHBondContact O-N 2.99Å; L38-V74 HydrophobicContact CB-CG2 4.46Å; L38-V77 HydrophobicContact CD1-CG2 4.44Å; L38-T88 HydrophobicContact CD1-CG2 3.98Å; L38-T88 HydrophobicContact CD2-CG2 3.7Å; L38-W98 HydrophobicContact CD2-CZ2 3.97Å
39	K	92.9	Very high	81	Confident	21 Å²	21	44.4 Å²	44.4	9%	0.091	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	141.4	177.5	-80.6	-178.9	165.5	-66.4	0	111.5	A30 C31 L37 N64 Q65 T66	A30-K39 CarbonylContact C-O 3.58Å; A30-K39 VanDerWaalsContact CA-O 3.32Å; A30-K39 WeakPolarHBondContact CA-O 3.37Å; C31-K39 PolarHBondContact N-O 3.24Å; C31-K39 PolarHBondContact O-N 2.8Å; L37-K39 HydrophobicContact CD1-CD 4.31Å; L37-K39 HydrophobicContact CD1-CG 4.26Å; K39-N64 PolarHBondContact NZ-OD1 2.94Å; K39-Q65 CarbonylContact C-O 3.57Å; K39-Q65 WeakPolarHBondContact CA-O 3.48Å; K39-T66 HydrophobicContact CG-CG2 4.38Å; K39-T66 PolarHBondContact NZ-OG1 2.99Å
40	V	93.4	Very high	79	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	123.1	170.6	-176.8	0	0	0	0	109.1	F28 I29 A30 Q65 L67 W79 L86	F28-V40 HydrophobicContact CB-CG1 4.12Å; F28-V40 HydrophobicContact CD1-CG1 4.05Å; F28-V40 HydrophobicContact CG-CG1 4.37Å; I29-V40 CarbonylContact O-C 3.54Å; I29-V40 WeakPolarHBondContact O-CA 3.25Å; A30-V40 HydrophobicContact CB-CG2 4.36Å; V40-Q65 PolarHBondContact N-O 2.72Å; V40-Q65 PolarHBondContact O-N 3.32Å; V40-L67 HydrophobicContact CG2-CD1 3.56Å; V40-L67 HydrophobicContact CG2-CG 4.15Å; V40-W79 HydrophobicContact CG1-CH2 4.22Å; V40-L86 HydrophobicContact CG2-CD2 3.76Å
41	L	91.4	Very high	76.8	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.016	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	150.9	-176.2	-52.3	174.7	0	0	0	109.3	I9 F28 I29 L61 M63 N64 I326	I9-L41 HydrophobicContact CD1-CD1 4.43Å; F28-L41 CarbonylContact C-O 3.59Å; F28-L41 WeakPolarHBondContact CA-O 3.4Å; I29-L41 HydrophobicContact CB-CB 4.33Å; I29-L41 PolarHBondContact N-O 3.06Å; I29-L41 PolarHBondContact O-N 3.31Å; L41-L61 HydrophobicContact CB-CD2 4.19Å; L41-M63 CarbonylContact C-O 3.58Å; L41-M63 WeakPolarHBondContact CA-O 3.41Å; L41-N64 HydrophobicContact CD2-CB 3.89Å; L41-N64 VanDerWaalsContact CD2-OD1 3.27Å; L41-N64 WeakPolarHBondContact CD2-OD1 3.43Å; L41-I326 HydrophobicContact CD1-CD1 3.88Å
42	K	88	Confident	74.8	Confident	56 Å²	56	60 Å²	60	24%	0.243	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132.1	166.2	-170.8	165.6	170.8	155.9	0	109.6	Q26 F28 L61 S62 M63	Q26-K42 VanDerWaalsContact O-CE 3.28Å; Q26-K42 WeakPolarHBondContact O-CE 3.04Å; Q26-K42 PolarHBondContact O-NZ 3.35Å; F28-K42 HydrophobicContact CD1-CB 3.8Å; F28-K42 HydrophobicContact CD1-CD 3.86Å; F28-K42 HydrophobicContact CD1-CG 4.2Å; F28-K42 HydrophobicContact CE1-CB 3.94Å; F28-K42 HydrophobicContact CE1-CD 3.45Å; F28-K42 VanDerWaalsContact CE1-CD 3.45Å; F28-K42 HydrophobicContact CE1-CG 4.21Å; F28-K42 HydrophobicContact CZ-CD 3.86Å; K42-L61 CarbonylContact O-C 3.58Å; K42-L61 WeakPolarHBondContact O-CA 3.39Å; K42-S62 WeakPolarHBondContact CB-OG 3.48Å; K42-S62 WeakPolarHBondContact CG-OG 3.41Å; K42-S62 PolarHBondContact O-N 2.9Å; K42-S62 PolarHBondContact O-OG 3.37Å; K42-M63 HydrophobicContact CB-CB 3.71Å; K42-M63 PolarHBondContact N-O 3.09Å; K42-M63 PolarHBondContact O-N 3.13Å
43	L	81.8	Confident	72.9	Confident	22 Å²	22	62.8 Å²	62.8	12%	0.115	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	141.7	173.9	-61.4	176.6	0	0	0	109.2	W22 I29 T45 L61 F328	W22-L43 HydrophobicContact CH2-CD1 3.87Å; W22-L43 HydrophobicContact CZ2-CD1 3.81Å; I29-L43 HydrophobicContact CD1-CD1 4.16Å; I29-L43 HydrophobicContact CD1-CG 4.14Å; L43-T45 PolarHBondContact O-N 2.77Å; L43-L61 HydrophobicContact CD2-CD2 3.93Å; L43-F328 HydrophobicContact CD1-CD1 4.3Å; L43-F328 HydrophobicContact CD1-CE1 3.92Å; L43-F328 HydrophobicContact CD1-CZ 4.29Å
44	E	69.6	Low	70.9	Confident	86 Å²	86	63.2 Å²	63.2	40%	0.402	34%	0.335	S	S	.	.			trans	-66.3	115.6	173.5	-166.8	170.8	-149.3	0	0	109.5	N60	E44-N60 HydrophobicContact CB-CB 4.45Å; E44-N60 WeakPolarHBondContact CB-O 3.48Å; E44-N60 PolarHBondContact N-O 3.03Å; E44-N60 WeakPolarHBondContact OE2-CB 3.49Å; E44-N60 PolarHBondContact OE2-ND2 3.34Å
45	T	61.5	Low	69.2	Low	109 Å²	109	62.8 Å²	62.8	67%	0.669	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-86.5	132.5	169.9	43.5	0	0	0	0	108.4	L43 T47	L43-T45 PolarHBondContact O-N 2.77Å; T45-T47 PolarHBondContact O-N 3.03Å
46	Q	53.6	Low	67.3	Low	61 Å²	61	57.2 Å²	57.2	29%	0.285	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-49.3	133.2	-179.3	-85.6	-173.9	-6.1	0	0	111.4	L52 L55 A57	Q46-L52 PolarHBondContact NE2-O 2.87Å; Q46-L52 PolarHBondContact OE1-O 3.39Å; Q46-L52 VanDerWaalsContact OE1-O 3.1Å; Q46-L55 PolarHBondContact NE2-O 2.81Å; Q46-A57 HydrophobicContact CG-CB 3.91Å
47	T	46.3	Very low	65.5	Low	96 Å²	96	58.6 Å²	58.6	59%	0.589	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-63.1	156.5	167.5	43.9	0	0	0	0	110.5	T45 D49	T45-T47 PolarHBondContact O-N 3.03Å; T47-D49 PolarHBondContact O-N 2.81Å
48	D	47.5	Very low	63.5	Low	150 Å²	150	60.2 Å²	60.2	80%	0.802	33%	0.331	S	S	*	.	S	Bend	trans	-59.7	16.7	176.3	-83.7	-42.2	0	0	0	115.5	A50	D48-A50 PolarHBondContact O-N 2.92Å
49	D	50.1	Low	61.7	Low	88 Å²	88	63 Å²	63	47%	0.471	35%	0.35	S	S	.	.			trans	-72.9	111.3	-176.7	-146.5	-14.8	0	0	0	110.1	T47 K51 L52 R53	T47-D49 PolarHBondContact O-N 2.81Å; D49-K51 PolarHBondContact O-N 2.77Å; D49-L52 HydrophobicContact CB-CD1 4.24Å; D49-L52 PolarHBondContact O-N 2.86Å; D49-R53 PolarHBondContact O-N 3.22Å
50	A	51.3	Low	60.4	Low	71 Å²	71	66.6 Å²	66.6	59%	0.587	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-22	-175.4	0	0	0	0	0	113.5	D48	D48-A50 PolarHBondContact O-N 2.92Å
51	K	49	Very low	59.5	Low	187 Å²	187	69.6 Å²	69.6	81%	0.813	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-21.4	176.2	-70.8	-178.7	179.4	176.2	0	114.2	D49	D49-K51 PolarHBondContact O-N 2.77Å
52	L	50.6	Low	58.9	Low	69 Å²	69	72.7 Å²	72.7	36%	0.361	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-9.9	-179.7	-69.8	167.7	0	0	0	112.7	Q46 D49 G54 L55	Q46-L52 PolarHBondContact NE2-O 2.87Å; Q46-L52 PolarHBondContact OE1-O 3.39Å; Q46-L52 VanDerWaalsContact OE1-O 3.1Å; D49-L52 HydrophobicContact CB-CD1 4.24Å; D49-L52 PolarHBondContact O-N 2.86Å; L52-G54 PolarHBondContact O-N 2.86Å; L52-L55 HydrophobicContact CD2-CD1 4.01Å; L52-L55 WeakPolarHBondContact O-CB 3.5Å; L52-L55 PolarHBondContact O-N 3.37Å
53	R	55.6	Low	58.5	Low	60 Å²	60	71.7 Å²	71.7	23%	0.226	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	121.3	-178.6	-160.1	174.7	-84.1	176.8	-4.6	110.7	D49 L647 D661	D49-R53 PolarHBondContact O-N 3.22Å; R53-L647 HydrophobicContact CG-CD1 4.15Å; R53-D661 IonicContact NH1-OD2 2.72Å; R53-D661 PolarHBondContact NH1-OD2 3.2Å
54	G	51.6	Low	58.9	Low	8 Å²	8	75 Å²	75	8%	0.082	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-0.1	-179	0	0	0	0	0	115.9	L52 T631 S632 L647	L52-G54 PolarHBondContact O-N 2.86Å; G54-T631 CarbonylContact O-C 3.58Å; G54-T631 VanDerWaalsContact O-CA 3.26Å; G54-T631 WeakPolarHBondContact O-CA 3.49Å; G54-T631 PolarHBondContact O-OG1 2.69Å; G54-S632 PolarHBondContact O-N 3.38Å; G54-S632 PolarHBondContact O-OG 3.09Å; G54-L647 VanDerWaalsContact CA-CD1 3.49Å
55	L	55.1	Low	59.9	Low	53 Å²	53	72.9 Å²	72.9	28%	0.277	41%	0.413	S	S	.	.	S	Bend	trans	-84.7	145.6	164.5	-73.5	159.8	0	0	0	109.2	Q46 L52 A57 Q630	Q46-L55 PolarHBondContact NE2-O 2.81Å; L52-L55 HydrophobicContact CD2-CD1 4.01Å; L52-L55 WeakPolarHBondContact O-CB 3.5Å; L52-L55 PolarHBondContact O-N 3.37Å; L55-A57 PolarHBondContact O-N 3.47Å; L55-A57 VanDerWaalsContact O-N 3.14Å; L55-Q630 HydrophobicContact CD2-CB 3.54Å; L55-Q630 HydrophobicContact CD2-CG 3.66Å; L55-Q630 WeakPolarHBondContact CD2-O 3.37Å
56	A	50	Low	61.3	Low	23 Å²	23	70.8 Å²	70.8	19%	0.19	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-58.1	123.6	172.7	0	0	0	0	0	110.3	T615	A56-T615 HydrophobicContact CB-CG2 3.62Å
57	A	50.1	Low	63.1	Low	37 Å²	37	68.1 Å²	68.1	31%	0.306	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-49.4	125.5	-176.8	0	0	0	0	0	111.4	Q46 L55 S59	Q46-A57 HydrophobicContact CG-CB 3.91Å; L55-A57 PolarHBondContact O-N 3.47Å; L55-A57 VanDerWaalsContact O-N 3.14Å; A57-S59 PolarHBondContact O-N 3.44Å; A57-S59 PolarHBondContact O-OG 3Å
58	P	49.5	Very low	65.2	Low	64 Å²	64	71.3 Å²	71.3	42%	0.416	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-58.4	118.2	171.8	24.4	-30.8	0	0	0	107.3	N60	P58-N60 PolarHBondContact O-N 3.09Å
59	S	56.1	Low	67	Low	58 Å²	58	65.6 Å²	65.6	41%	0.406	37%	0.372	S	S	.	.			trans	-86.1	44.9	-169.4	-45.7	0	0	0	0	110.4	K7 A57	K7-S59 PolarHBondContact NZ-O 3.02Å; A57-S59 PolarHBondContact O-N 3.44Å; A57-S59 PolarHBondContact O-OG 3Å
60	N	65.4	Low	69	Low	98 Å²	98	62 Å²	62	52%	0.524	35%	0.352	S	S	.	.			trans	-74	158.3	176.1	-64.4	-38.9	0	0	0	110	E44 P58	E44-N60 HydrophobicContact CB-CB 4.45Å; E44-N60 WeakPolarHBondContact CB-O 3.48Å; E44-N60 PolarHBondContact N-O 3.03Å; E44-N60 WeakPolarHBondContact OE2-CB 3.49Å; E44-N60 PolarHBondContact OE2-ND2 3.34Å; P58-N60 PolarHBondContact O-N 3.09Å
61	L	75.2	Confident	70.7	Confident	62 Å²	62	65.5 Å²	65.5	33%	0.325	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.3	174.9	-72.6	165.5	0	0	0	107.9	I9 L41 K42 L43 M63	I9-L61 HydrophobicContact CD1-CD1 4.36Å; I9-L61 HydrophobicContact CD1-CD2 4Å; I9-L61 HydrophobicContact CD1-CG 4.49Å; L41-L61 HydrophobicContact CB-CD2 4.19Å; K42-L61 CarbonylContact O-C 3.58Å; K42-L61 WeakPolarHBondContact O-CA 3.39Å; L43-L61 HydrophobicContact CD2-CD2 3.93Å; L61-M63 VanDerWaalsContact C-N 3.34Å
62	S	78.2	Confident	72.6	Confident	68 Å²	68	56.7 Å²	56.7	48%	0.476	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-21.4	171.7	67.2	0	0	0	0	111.7	K42	K42-S62 WeakPolarHBondContact CB-OG 3.48Å; K42-S62 WeakPolarHBondContact CG-OG 3.41Å; K42-S62 PolarHBondContact O-N 2.9Å; K42-S62 PolarHBondContact O-OG 3.37Å
63	M	81	Confident	74.5	Confident	35 Å²	35	54 Å²	54	17%	0.172	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	142.3	174	-167.3	178	-174.6	0	0	111.1	F28 L41 K42 L61 Q65 G103	F28-M63 HydrophobicContact CD1-SD 4.26Å; F28-M63 HydrophobicContact CE1-SD 3.56Å; F28-M63 VanDerWaalsContact CE1-SD 3.56Å; F28-M63 HydrophobicContact CZ-SD 4.45Å; L41-M63 CarbonylContact C-O 3.58Å; L41-M63 WeakPolarHBondContact CA-O 3.41Å; K42-M63 HydrophobicContact CB-CB 3.71Å; K42-M63 PolarHBondContact N-O 3.09Å; K42-M63 PolarHBondContact O-N 3.13Å; L61-M63 VanDerWaalsContact C-N 3.34Å; M63-Q65 HydrophobicContact CE-CB 3.96Å; M63-G103 WeakPolarHBondContact CE-O 3.42Å
64	N	89.1	Confident	76.4	Confident	91 Å²	91	51.2 Å²	51.2	49%	0.487	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	91	171.5	179.8	-1.8	0	0	0	108.9	K39 L41	K39-N64 PolarHBondContact NZ-OD1 2.94Å; L41-N64 HydrophobicContact CD2-CB 3.89Å; L41-N64 VanDerWaalsContact CD2-OD1 3.27Å; L41-N64 WeakPolarHBondContact CD2-OD1 3.43Å
65	Q	90.1	Very high	78.3	Confident	43 Å²	43	53.9 Å²	53.9	20%	0.201	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.1	-179.9	-173.3	179.9	-6.6	0	0	109.8	K39 V40 M63 L67 W105	K39-Q65 CarbonylContact C-O 3.57Å; K39-Q65 WeakPolarHBondContact CA-O 3.48Å; V40-Q65 PolarHBondContact N-O 2.72Å; V40-Q65 PolarHBondContact O-N 3.32Å; M63-Q65 HydrophobicContact CE-CB 3.96Å; Q65-L67 HydrophobicContact CG-CD2 3.91Å; Q65-W105 PolarHBondContact NE2-O 2.8Å
66	T	91.4	Very high	80.1	Confident	65 Å²	65	52.5 Å²	52.5	40%	0.399	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.6	165.3	-49.9	0	0	0	0	108.3	K39	K39-T66 HydrophobicContact CG-CG2 4.38Å; K39-T66 PolarHBondContact NZ-OG1 2.99Å
67	L	92.6	Very high	82.2	Confident	4 Å²	4	52 Å²	52	2%	0.021	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	122	175.2	-55.3	-176.2	0	0	0	108.5	L38 V40 Q65 L86 W98 W105	L38-L67 HydrophobicContact CB-CB 4.3Å; L38-L67 HydrophobicContact CD2-CB 3.87Å; L38-L67 HydrophobicContact CD2-CD1 3.92Å; L38-L67 HydrophobicContact CD2-CG 4.44Å; L38-L67 HydrophobicContact CG-CB 3.97Å; L38-L67 HydrophobicContact CG-CD1 4.16Å; L38-L67 HydrophobicContact CG-CG 4.4Å; L38-L67 PolarHBondContact O-N 2.99Å; V40-L67 HydrophobicContact CG2-CD1 3.56Å; V40-L67 HydrophobicContact CG2-CG 4.15Å; Q65-L67 HydrophobicContact CG-CD2 3.91Å; L67-L86 HydrophobicContact CD1-CD2 4.15Å; L67-W98 HydrophobicContact CB-CE3 4.3Å; L67-W98 HydrophobicContact CB-CH2 3.71Å; L67-W98 HydrophobicContact CB-CZ2 3.97Å; L67-W98 HydrophobicContact CB-CZ3 3.86Å; L67-W98 HydrophobicContact CD1-CD2 3.73Å; L67-W98 HydrophobicContact CD1-CE3 3.87Å; L67-W98 HydrophobicContact CD1-CG 4.12Å; L67-W98 HydrophobicContact CD1-CZ2 4.45Å; L67-W98 HydrophobicContact CD1-CZ3 4.29Å; L67-W98 HydrophobicContact CD2-CE3 4.21Å; L67-W98 HydrophobicContact CD2-CZ3 4.22Å; L67-W98 HydrophobicContact CG-CE3 4.34Å; L67-W98 HydrophobicContact CG-CZ3 4.33Å; L67-W105 HydrophobicContact CD1-CB 4.3Å; L67-W105 HydrophobicContact CD2-CB 3.66Å
68	E	89.1	Confident	84.3	Confident	163 Å²	163	51.3 Å²	51.3	76%	0.762	29%	0.291	S	S	*	.			trans	-103	131.3	-177.7	-63.5	-178.7	177.3	0	0	108.9	E107	E68-E107 VanDerWaalsContact O-OE1 3.13Å
69	G	86	Confident	86.4	Confident	31 Å²	31	49.1 Å²	49.1	32%	0.32	27%	0.274	S	S	.	.			trans	165.4	-30.6	179.1	0	0	0	0	0	113.6
70	H	91.3	Very high	88.1	Confident	11 Å²	11	46.4 Å²	46.4	5%	0.051	26%	0.256	C	S	.	.			trans	-84.8	138.6	174.3	-71.1	-64.3	0	0	0	111.5	G36 V74 T88 D90	G36-H70 WeakPolarHBondContact CA-O 3.16Å; H70-V74 HydrophobicContact CB-CG2 4.01Å; H70-T88 PolarHBondContact NE2-OG1 2.95Å; H70-D90 HydrophobicContact CB-CB 4.37Å
71	N	87.6	Confident	89.1	Confident	145 Å²	145	43.6 Å²	43.6	78%	0.775	24%	0.239	S	C	*	.			trans	-107.2	-21.9	176.6	-67.9	-37.6	0	0	0	112.7
72	G	88.3	Confident	89.7	Confident	2 Å²	2	46.4 Å²	46.4	2%	0.021	25%	0.251	C	S	.	.	S	Bend	trans	-105.6	174.2	175.7	0	0	0	0	0	112.7	G36 V74 E91	G36-G72 WeakPolarHBondContact CA-O 3.47Å; G36-G72 PolarHBondContact N-O 3.31Å; G72-V74 PolarHBondContact O-N 2.97Å; G72-E91 WeakPolarHBondContact CA-OE1 3.49Å
73	S	92.2	Very high	90.3	Very high	14 Å²	14	48 Å²	48	10%	0.098	25%	0.247	C	C	.	.			trans	-57.3	127.8	176.8	-53.6	0	0	0	0	111.6	Q75 D90 E91	S73-Q75 PolarHBondContact O-N 3.03Å; S73-D90 CarbonylContact O-C 3.59Å; S73-D90 WeakPolarHBondContact O-CA 3.38Å; S73-E91 VanDerWaalsContact CB-OE2 3.3Å; S73-E91 WeakPolarHBondContact CB-OE2 3.49Å; S73-E91 PolarHBondContact N-OE1 2.81Å; S73-E91 PolarHBondContact O-N 2.56Å; S73-E91 PolarHBondContact OG-OE2 2.8Å; S73-E91 VanDerWaalsContact OG-OE2 3.1Å
74	V	94.8	Very high	90.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	116	-180	-178	0	0	0	0	109.7	K18 C19 G33 L38 H70 G72 V77 S89	K18-V74 WeakPolarHBondContact CB-O 3.14Å; C19-V74 PolarHBondContact SG-O 2.91Å; C19-V74 VanDerWaalsContact SG-O 3.4Å; G33-V74 PolarHBondContact O-N 3.24Å; L38-V74 HydrophobicContact CB-CG2 4.46Å; H70-V74 HydrophobicContact CB-CG2 4.01Å; G72-V74 PolarHBondContact O-N 2.97Å; V74-V77 HydrophobicContact CG1-CG2 3.97Å; V74-S89 CarbonylContact C-O 3.53Å
75	Q	91.6	Very high	90.8	Very high	65 Å²	65	47.3 Å²	47.3	30%	0.304	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-43.7	-171.2	-64.2	-61.8	-31.2	0	0	113.3	S73 S89 E91 V117	S73-Q75 PolarHBondContact O-N 3.03Å; Q75-S89 PolarHBondContact N-O 2.92Å; Q75-E91 HydrophobicContact CG-CB 4.35Å; Q75-V117 HydrophobicContact CG-CG1 4.33Å
76	V	92.9	Very high	91.1	Very high	23 Å²	23	45.3 Å²	45.3	14%	0.139	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	135.9	-172.4	-174.6	0	0	0	0	110	T88 S89 R119 M121	V76-T88 WeakPolarHBondContact O-CA 3.2Å; V76-S89 WeakPolarHBondContact CB-OG 3.43Å; V76-S89 PolarHBondContact O-N 3.41Å; V76-R119 WeakPolarHBondContact CG2-O 3.34Å; V76-M121 HydrophobicContact CB-CE 3.82Å; V76-M121 HydrophobicContact CG1-CB 4.06Å; V76-M121 HydrophobicContact CG1-CE 3.72Å; V76-M121 HydrophobicContact CG1-CG 4.28Å
77	V	94.9	Very high	91.2	Very high	14 Å²	14	42.3 Å²	42.3	9%	0.085	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	124.3	178.9	175.4	0	0	0	0	108	C19 A30 L38 V74 L86 T88	C19-V77 WeakPolarHBondContact SG-CG2 3.22Å; A30-V77 HydrophobicContact CB-CG1 3.5Å; L38-V77 HydrophobicContact CD1-CG2 4.44Å; V74-V77 HydrophobicContact CG1-CG2 3.97Å; V77-L86 HydrophobicContact CG1-CD1 3.67Å; V77-T88 HydrophobicContact CG1-CG2 4.24Å; V77-T88 HydrophobicContact CG2-CG2 3.97Å
78	T	93.8	Very high	91.4	Very high	22 Å²	22	42.1 Å²	42.1	14%	0.135	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.7	-178.3	-169.2	0	0	0	0	111.6	T87 M121 I130	T78-T87 PolarHBondContact N-O 3.22Å; T78-T87 PolarHBondContact O-N 3.13Å; T78-M121 HydrophobicContact CG2-CB 4.03Å; T78-M121 HydrophobicContact CG2-CE 4.45Å; T78-I130 HydrophobicContact CG2-CD1 4.45Å
79	W	92.6	Very high	91.7	Very high	17 Å²	17	34.3 Å²	34.3	6%	0.064	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	135.2	-179	-65.7	102.4	0	0	0	110.4	S21 N23 F28 A30 V40 E81 L86 W105 W123	S21-W79 VanDerWaalsContact C-NE1 3.35Å; S21-W79 PolarHBondContact O-NE1 2.95Å; N23-W79 HydrophobicContact CB-CD2 3.7Å; N23-W79 HydrophobicContact CB-CE3 4.05Å; N23-W79 HydrophobicContact CB-CG 4.04Å; N23-W79 HydrophobicContact CB-CH2 4.42Å; N23-W79 HydrophobicContact CB-CZ2 4.08Å; N23-W79 HydrophobicContact CB-CZ3 4.38Å; F28-W79 HydrophobicContact CB-CH2 3.54Å; F28-W79 HydrophobicContact CB-CZ2 3.87Å; F28-W79 HydrophobicContact CB-CZ3 4.27Å; F28-W79 HydrophobicContact CG-CH2 4.44Å; A30-W79 HydrophobicContact CB-CH2 4.29Å; A30-W79 HydrophobicContact CB-CZ2 3.51Å; V40-W79 HydrophobicContact CG1-CH2 4.22Å; W79-E81 WeakPolarHBondContact CB-OE1 3.49Å; W79-L86 HydrophobicContact CD2-CD1 3.81Å; W79-L86 HydrophobicContact CE3-CB 3.93Å; W79-L86 HydrophobicContact CE3-CD1 3.89Å; W79-L86 HydrophobicContact CE3-CG 4.47Å; W79-L86 HydrophobicContact CG-CD1 4.47Å; W79-L86 HydrophobicContact CH2-CB 4.33Å; W79-L86 HydrophobicContact CH2-CD1 4.03Å; W79-L86 HydrophobicContact CH2-CD2 4.09Å; W79-L86 HydrophobicContact CH2-CG 4.38Å; W79-L86 HydrophobicContact CZ2-CD1 3.96Å; W79-L86 HydrophobicContact CZ3-CB 3.74Å; W79-L86 HydrophobicContact CZ3-CD1 4Å; W79-L86 HydrophobicContact CZ3-CD2 4.34Å; W79-L86 HydrophobicContact CZ3-CG 4.24Å; W79-W105 HydrophobicContact CE3-CH2 4.42Å; W79-W105 HydrophobicContact CH2-CH2 4.33Å; W79-W105 HydrophobicContact CH2-CZ2 4.03Å; W79-W105 AromaticContact CZ3-CH2 3.51Å; W79-W105 HydrophobicContact CZ3-CH2 3.51Å; W79-W105 AromaticContact CZ3-CZ2 3.63Å; W79-W105 HydrophobicContact CZ3-CZ2 3.63Å; W79-W105 HydrophobicContact CZ3-CZ3 4.27Å; W79-W123 VanDerWaalsContact C-CD1 3.46Å
80	N	92.3	Very high	92	Very high	2 Å²	2	33 Å²	33	1%	0.011	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	96	160.1	-168.9	-24.3	0	0	0	107.9	Q82 Y83 Q84 K85 W123 G127	N80-Q82 PolarHBondContact OD1-N 2.64Å; N80-Y83 PolarHBondContact OD1-N 2.88Å; N80-Q84 WeakPolarHBondContact O-CA 3.48Å; N80-Q84 PolarHBondContact O-N 3.15Å; N80-K85 HydrophobicContact CB-CB 4.12Å; N80-K85 PolarHBondContact N-O 3.3Å; N80-K85 PolarHBondContact O-N 2.99Å; N80-K85 VanDerWaalsContact O-N 3.09Å; N80-W123 HydrophobicContact CB-CD2 3.75Å; N80-W123 VanDerWaalsContact CB-CE2 3.5Å; N80-W123 HydrophobicContact CB-CE3 4.18Å; N80-W123 HydrophobicContact CB-CG 4.19Å; N80-W123 HydrophobicContact CB-CH2 4.17Å; N80-W123 HydrophobicContact CB-CZ2 3.71Å; N80-W123 HydrophobicContact CB-CZ3 4.39Å; N80-W123 VanDerWaalsContact ND2-CH2 3.34Å; N80-W123 WeakPolarHBondContact ND2-CH2 3.49Å; N80-W123 WeakPolarHBondContact ND2-CZ3 3.45Å; N80-G127 PolarHBondContact ND2-O 3.31Å
81	E	87.1	Confident	91.9	Very high	38 Å²	38	36.2 Å²	36.2	18%	0.178	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-46.5	-177.9	-58.7	-66.3	151.6	0	0	111.2	N23 K24 E25 W79 Y83 Q84	N23-E81 WeakPolarHBondContact CA-OE1 3.48Å; N23-E81 PolarHBondContact ND2-OE1 2.7Å; N23-E81 PolarHBondContact ND2-OE2 2.74Å; N23-E81 PolarHBondContact OD1-OE2 3.43Å; K24-E81 HydrophobicContact CB-CG 4.39Å; K24-E81 VanDerWaalsContact N-CD 3.32Å; K24-E81 PolarHBondContact N-OE1 3.07Å; K24-E81 PolarHBondContact N-OE2 2.77Å; E25-E81 HydrophobicContact CG-CB 4.49Å; E25-E81 PolarHBondContact N-OE2 3.32Å; E25-E81 VanDerWaalsContact N-OE2 3.13Å; W79-E81 WeakPolarHBondContact CB-OE1 3.49Å; E81-Y83 VanDerWaalsContact C-N 3.32Å; E81-Y83 PolarHBondContact O-N 2.95Å; E81-Q84 PolarHBondContact O-N 3.18Å
82	Q	88	Confident	92	Very high	122 Å²	122	33 Å²	33	57%	0.57	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-39.7	-175.8	-65.2	-62.4	-32	0	0	113	N80	N80-Q82 PolarHBondContact OD1-N 2.64Å
83	Y	89.1	Confident	91.9	Very high	101 Å²	101	32.9 Å²	32.9	40%	0.396	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	5.8	-177.6	-66.3	-88.2	0	0	0	113.6	N80 E81 K85 Q128 V144	N80-Y83 PolarHBondContact OD1-N 2.88Å; E81-Y83 VanDerWaalsContact C-N 3.32Å; E81-Y83 PolarHBondContact O-N 2.95Å; Y83-K85 VanDerWaalsContact C-N 3.28Å; Y83-K85 WeakPolarHBondContact O-CG 3.44Å; Y83-K85 PolarHBondContact O-N 3.19Å; Y83-Q128 HydrophobicContact CE2-CG 4.26Å; Y83-V144 HydrophobicContact CD1-CG2 4.13Å; Y83-V144 HydrophobicContact CD2-CB 4.46Å; Y83-V144 HydrophobicContact CD2-CG2 3.82Å; Y83-V144 HydrophobicContact CE1-CG1 4.28Å; Y83-V144 HydrophobicContact CE2-CG1 4.31Å; Y83-V144 HydrophobicContact CE2-CG2 4.37Å; Y83-V144 HydrophobicContact CG-CG2 3.68Å
84	Q	89.6	Confident	92	Very high	90 Å²	90	33 Å²	33	42%	0.421	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	40.7	178.7	-53.9	-179.5	-0.2	0	0	113.7	Q26 N80 E81	Q26-Q84 VanDerWaalsContact NE2-OE1 3.16Å; N80-Q84 WeakPolarHBondContact O-CA 3.48Å; N80-Q84 PolarHBondContact O-N 3.15Å; E81-Q84 PolarHBondContact O-N 3.18Å
85	K	92.4	Very high	91.9	Very high	22 Å²	22	33.3 Å²	33.3	10%	0.096	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	143.5	179	-56.5	-168.5	179.8	-163	0	111	N80 Y83 V97 W98 E108 V144	N80-K85 HydrophobicContact CB-CB 4.12Å; N80-K85 PolarHBondContact N-O 3.3Å; N80-K85 PolarHBondContact O-N 2.99Å; N80-K85 VanDerWaalsContact O-N 3.09Å; Y83-K85 VanDerWaalsContact C-N 3.28Å; Y83-K85 WeakPolarHBondContact O-CG 3.44Å; Y83-K85 PolarHBondContact O-N 3.19Å; K85-V97 HydrophobicContact CB-CG1 4.1Å; K85-V97 HydrophobicContact CD-CG1 3.91Å; K85-V97 HydrophobicContact CG-CG1 4.5Å; K85-W98 WeakPolarHBondContact CA-O 3.26Å; K85-E108 WeakPolarHBondContact CD-OE2 3.24Å; K85-E108 WeakPolarHBondContact CE-OE2 3.37Å; K85-E108 IonicContact NZ-OE1 2.72Å; K85-E108 PolarHBondContact NZ-OE1 2.84Å; K85-E108 IonicContact NZ-OE2 2.86Å; K85-E108 PolarHBondContact NZ-OE2 3.2Å; K85-V144 HydrophobicContact CD-CG2 4.18Å; K85-V144 PolarHBondContact NZ-O 2.93Å
86	L	94.8	Very high	92	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.3	171.7	171.6	66.3	0	0	0	108.4	A30 V40 L67 V77 W79 T88 V97 W98 W105	A30-L86 HydrophobicContact CB-CD1 3.93Å; A30-L86 HydrophobicContact CB-CD2 4.07Å; V40-L86 HydrophobicContact CG2-CD2 3.76Å; L67-L86 HydrophobicContact CD1-CD2 4.15Å; V77-L86 HydrophobicContact CG1-CD1 3.67Å; W79-L86 HydrophobicContact CD2-CD1 3.81Å; W79-L86 HydrophobicContact CE3-CB 3.93Å; W79-L86 HydrophobicContact CE3-CD1 3.89Å; W79-L86 HydrophobicContact CE3-CG 4.47Å; W79-L86 HydrophobicContact CG-CD1 4.47Å; W79-L86 HydrophobicContact CH2-CB 4.33Å; W79-L86 HydrophobicContact CH2-CD1 4.03Å; W79-L86 HydrophobicContact CH2-CD2 4.09Å; W79-L86 HydrophobicContact CH2-CG 4.38Å; W79-L86 HydrophobicContact CZ2-CD1 3.96Å; W79-L86 HydrophobicContact CZ3-CB 3.74Å; W79-L86 HydrophobicContact CZ3-CD1 4Å; W79-L86 HydrophobicContact CZ3-CD2 4.34Å; W79-L86 HydrophobicContact CZ3-CG 4.24Å; L86-T88 HydrophobicContact CD1-CG2 4.19Å; L86-T88 HydrophobicContact CD2-CG2 4.22Å; L86-T88 HydrophobicContact CG-CG2 3.92Å; L86-V97 CarbonylContact O-C 3.59Å; L86-V97 WeakPolarHBondContact O-CA 3.38Å; L86-W98 HydrophobicContact CB-CB 4.16Å; L86-W98 PolarHBondContact N-O 3.28Å; L86-W98 PolarHBondContact O-N 2.98Å; L86-W105 HydrophobicContact CB-CE3 4.33Å; L86-W105 HydrophobicContact CB-CH2 4.45Å; L86-W105 HydrophobicContact CB-CZ3 3.93Å
87	T	95.2	Very high	92.1	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.4	176.2	-55	0	0	0	0	109.9	T78 I95 I96 V97 M121 W123 I130	T78-T87 PolarHBondContact N-O 3.22Å; T78-T87 PolarHBondContact O-N 3.13Å; T87-I95 HydrophobicContact CG2-CG2 3.65Å; T87-I96 WeakPolarHBondContact CA-O 3.36Å; T87-V97 HydrophobicContact CG2-CG2 4.15Å; T87-M121 HydrophobicContact CG2-CE 4.02Å; T87-M121 HydrophobicContact CG2-SD 3.85Å; T87-W123 WeakPolarHBondContact OG1-CZ2 3.49Å; T87-I130 HydrophobicContact CG2-CD1 4.1Å
88	T	95.7	Very high	92.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.5	-177.4	62.6	0	0	0	0	111	L38 H70 V76 V77 L86 I95 I96 W98	L38-T88 HydrophobicContact CD1-CG2 3.98Å; L38-T88 HydrophobicContact CD2-CG2 3.7Å; H70-T88 PolarHBondContact NE2-OG1 2.95Å; V76-T88 WeakPolarHBondContact O-CA 3.2Å; V77-T88 HydrophobicContact CG1-CG2 4.24Å; V77-T88 HydrophobicContact CG2-CG2 3.97Å; L86-T88 HydrophobicContact CD1-CG2 4.19Å; L86-T88 HydrophobicContact CD2-CG2 4.22Å; L86-T88 HydrophobicContact CG-CG2 3.92Å; T88-I95 CarbonylContact O-C 3.53Å; T88-I95 VanDerWaalsContact O-CA 3.3Å; T88-I95 WeakPolarHBondContact O-CA 3.39Å; T88-I96 PolarHBondContact N-O 3.01Å; T88-I96 PolarHBondContact O-N 2.76Å; T88-W98 PolarHBondContact OG1-NE1 3.06Å
89	S	94.8	Very high	92	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.8	176.3	69.7	0	0	0	0	113.6	V74 Q75 V76 L94	V74-S89 CarbonylContact C-O 3.53Å; Q75-S89 PolarHBondContact N-O 2.92Å; V76-S89 WeakPolarHBondContact CB-OG 3.43Å; V76-S89 PolarHBondContact O-N 3.41Å; S89-L94 CarbonylContact C-O 3.58Å; S89-L94 WeakPolarHBondContact CA-O 3.42Å
90	D	92.4	Very high	91.9	Very high	3 Å²	3	33 Å²	33	2%	0.016	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	176.6	175.2	77.7	0.2	0	0	0	113.9	H70 S73 N92 G93 L94	H70-D90 HydrophobicContact CB-CB 4.37Å; S73-D90 CarbonylContact O-C 3.59Å; S73-D90 WeakPolarHBondContact O-CA 3.38Å; D90-N92 PolarHBondContact O-N 2.83Å; D90-N92 WeakPolarHBondContact OD1-CA 3.49Å; D90-N92 WeakPolarHBondContact OD1-CB 3.38Å; D90-N92 PolarHBondContact OD1-N 2.76Å; D90-N92 PolarHBondContact OD2-ND2 3.26Å; D90-G93 PolarHBondContact O-N 3.04Å; D90-G93 PolarHBondContact OD1-N 3.33Å; D90-L94 PolarHBondContact N-O 3.26Å; D90-L94 VanDerWaalsContact OD1-CB 3.3Å; D90-L94 WeakPolarHBondContact OD1-CB 3.42Å; D90-L94 PolarHBondContact OD1-N 3.07Å
91	E	90.1	Very high	91.6	Very high	79 Å²	79	38.8 Å²	38.8	37%	0.369	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-18.9	175.7	72.6	-162.6	161.4	0	0	114.2	G72 S73 Q75 G93 V117	G72-E91 WeakPolarHBondContact CA-OE1 3.49Å; S73-E91 VanDerWaalsContact CB-OE2 3.3Å; S73-E91 WeakPolarHBondContact CB-OE2 3.49Å; S73-E91 PolarHBondContact N-OE1 2.81Å; S73-E91 PolarHBondContact O-N 2.56Å; S73-E91 PolarHBondContact OG-OE2 2.8Å; S73-E91 VanDerWaalsContact OG-OE2 3.1Å; Q75-E91 HydrophobicContact CG-CB 4.35Å; E91-G93 VanDerWaalsContact C-N 3.31Å; E91-V117 WeakPolarHBondContact O-CG2 3.27Å
92	N	89	Confident	91.5	Very high	77 Å²	77	45.4 Å²	45.4	41%	0.412	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-8.3	176.3	-59.4	-54.5	0	0	0	112.2	D90 N114	D90-N92 PolarHBondContact O-N 2.83Å; D90-N92 WeakPolarHBondContact OD1-CA 3.49Å; D90-N92 WeakPolarHBondContact OD1-CB 3.38Å; D90-N92 PolarHBondContact OD1-N 2.76Å; D90-N92 PolarHBondContact OD2-ND2 3.26Å; N92-N114 WeakPolarHBondContact O-CA 3.42Å
93	G	87.4	Confident	91.3	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.			trans	85.1	20.6	-177.3	0	0	0	0	0	113.8	D90 E91	D90-G93 PolarHBondContact O-N 3.04Å; D90-G93 PolarHBondContact OD1-N 3.33Å; E91-G93 VanDerWaalsContact C-N 3.31Å
94	L	92.7	Very high	91.2	Very high	17 Å²	17	39.3 Å²	39.3	9%	0.089	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.9	166.3	-179.7	65.3	0	0	0	109	S89 D90 I96 I110 N112	S89-L94 CarbonylContact C-O 3.58Å; S89-L94 WeakPolarHBondContact CA-O 3.42Å; D90-L94 PolarHBondContact N-O 3.26Å; D90-L94 VanDerWaalsContact OD1-CB 3.3Å; D90-L94 WeakPolarHBondContact OD1-CB 3.42Å; D90-L94 PolarHBondContact OD1-N 3.07Å; L94-I96 HydrophobicContact CD2-CD1 4.13Å; L94-I96 HydrophobicContact CD2-CG1 4.38Å; L94-I96 HydrophobicContact CG-CD1 4.45Å; L94-I96 HydrophobicContact CG-CG1 4.15Å; L94-I110 HydrophobicContact CD1-CG2 3.43Å; L94-I110 VanDerWaalsContact CD1-CG2 3.43Å; L94-N112 HydrophobicContact CD1-CB 3.71Å
95	I	93.6	Very high	91.3	Very high	6 Å²	6	35.2 Å²	35.2	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.8	175.3	-55.7	175.3	0	0	0	107.9	T87 T88 I110 N111 V118 M121 I132	T87-I95 HydrophobicContact CG2-CG2 3.65Å; T88-I95 CarbonylContact O-C 3.53Å; T88-I95 VanDerWaalsContact O-CA 3.3Å; T88-I95 WeakPolarHBondContact O-CA 3.39Å; I95-I110 WeakPolarHBondContact O-CA 3.27Å; I95-N111 HydrophobicContact CB-CB 4.44Å; I95-N111 PolarHBondContact N-O 3Å; I95-N111 PolarHBondContact O-N 3.47Å; I95-V118 HydrophobicContact CD1-CG2 3.86Å; I95-V118 HydrophobicContact CG1-CG2 3.98Å; I95-M121 HydrophobicContact CD1-SD 4.39Å; I95-M121 HydrophobicContact CG2-SD 4.3Å; I95-I132 HydrophobicContact CD1-CD1 3.9Å; I95-I132 HydrophobicContact CD1-CG1 4.49Å; I95-I132 HydrophobicContact CD1-CG2 3.75Å
96	I	94.3	Very high	91.2	Very high	1 Å²	1	40 Å²	40	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.5	175.7	-52.4	177.6	0	0	0	108.7	T87 T88 L94 W98 E107 M109 I110	T87-I96 WeakPolarHBondContact CA-O 3.36Å; T88-I96 PolarHBondContact N-O 3.01Å; T88-I96 PolarHBondContact O-N 2.76Å; L94-I96 HydrophobicContact CD2-CD1 4.13Å; L94-I96 HydrophobicContact CD2-CG1 4.38Å; L94-I96 HydrophobicContact CG-CD1 4.45Å; L94-I96 HydrophobicContact CG-CG1 4.15Å; I96-W98 HydrophobicContact CB-CZ2 4.03Å; I96-W98 HydrophobicContact CD1-CZ2 3.91Å; I96-W98 HydrophobicContact CG2-CD2 3.98Å; I96-W98 VanDerWaalsContact CG2-CE2 3.4Å; I96-W98 HydrophobicContact CG2-CG 4.4Å; I96-W98 HydrophobicContact CG2-CH2 4.21Å; I96-W98 HydrophobicContact CG2-CZ2 3.55Å; I96-E107 HydrophobicContact CG2-CB 4.38Å; I96-E107 HydrophobicContact CG2-CG 4.04Å; I96-M109 WeakPolarHBondContact CA-O 3.35Å; I96-I110 HydrophobicContact CG1-CG1 4.32Å; I96-I110 HydrophobicContact CG2-CG1 4.29Å
97	V	94.5	Very high	91.1	Very high	9 Å²	9	44.1 Å²	44.1	6%	0.055	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	126.4	170.8	-176.1	0	0	0	0	108.3	K85 L86 T87 E108 M109	K85-V97 HydrophobicContact CB-CG1 4.1Å; K85-V97 HydrophobicContact CD-CG1 3.91Å; K85-V97 HydrophobicContact CG-CG1 4.5Å; L86-V97 CarbonylContact O-C 3.59Å; L86-V97 WeakPolarHBondContact O-CA 3.38Å; T87-V97 HydrophobicContact CG2-CG2 4.15Å; V97-E108 PolarHBondContact O-N 2.79Å; V97-M109 HydrophobicContact CB-CB 4.18Å; V97-M109 HydrophobicContact CB-CE 4.43Å; V97-M109 HydrophobicContact CG2-CB 4.43Å; V97-M109 HydrophobicContact CG2-CE 3.63Å; V97-M109 PolarHBondContact N-O 3.11Å; V97-M109 PolarHBondContact O-N 3.1Å
98	W	94.4	Very high	90.8	Very high	6 Å²	6	48.3 Å²	48.3	2%	0.023	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	142.5	-177.8	-49.1	80.2	0	0	0	110.4	L38 L67 K85 L86 T88 I96 W105 Y106 E107	L38-W98 HydrophobicContact CD2-CZ2 3.97Å; L67-W98 HydrophobicContact CB-CE3 4.3Å; L67-W98 HydrophobicContact CB-CH2 3.71Å; L67-W98 HydrophobicContact CB-CZ2 3.97Å; L67-W98 HydrophobicContact CB-CZ3 3.86Å; L67-W98 HydrophobicContact CD1-CD2 3.73Å; L67-W98 HydrophobicContact CD1-CE3 3.87Å; L67-W98 HydrophobicContact CD1-CG 4.12Å; L67-W98 HydrophobicContact CD1-CZ2 4.45Å; L67-W98 HydrophobicContact CD1-CZ3 4.29Å; L67-W98 HydrophobicContact CD2-CE3 4.21Å; L67-W98 HydrophobicContact CD2-CZ3 4.22Å; L67-W98 HydrophobicContact CG-CE3 4.34Å; L67-W98 HydrophobicContact CG-CZ3 4.33Å; K85-W98 WeakPolarHBondContact CA-O 3.26Å; L86-W98 HydrophobicContact CB-CB 4.16Å; L86-W98 PolarHBondContact N-O 3.28Å; L86-W98 PolarHBondContact O-N 2.98Å; T88-W98 PolarHBondContact OG1-NE1 3.06Å; I96-W98 HydrophobicContact CB-CZ2 4.03Å; I96-W98 HydrophobicContact CD1-CZ2 3.91Å; I96-W98 HydrophobicContact CG2-CD2 3.98Å; I96-W98 VanDerWaalsContact CG2-CE2 3.4Å; I96-W98 HydrophobicContact CG2-CG 4.4Å; I96-W98 HydrophobicContact CG2-CH2 4.21Å; I96-W98 HydrophobicContact CG2-CZ2 3.55Å; W98-W105 HydrophobicContact CB-CE3 3.9Å; W98-Y106 CarbonylContact C-O 3.56Å; W98-Y106 WeakPolarHBondContact CA-O 3.3Å; W98-E107 HydrophobicContact CD2-CG 4.48Å; W98-E107 HydrophobicContact CE3-CG 3.76Å; W98-E107 HydrophobicContact CH2-CG 3.52Å; W98-E107 WeakPolarHBondContact CH2-OE1 3.48Å; W98-E107 HydrophobicContact CZ2-CG 4.31Å; W98-E107 HydrophobicContact CZ3-CB 4.38Å; W98-E107 HydrophobicContact CZ3-CG 3.23Å
99	M	92.5	Very high	90.5	Very high	69 Å²	69	51.8 Å²	51.8	34%	0.34	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	145.6	175.2	63.9	179.1	-78.7	0	0	110.9	Y101 W105 Y106 E108	M99-Y101 HydrophobicContact CE-CD2 4.43Å; M99-W105 WeakPolarHBondContact O-CA 3.41Å; M99-Y106 PolarHBondContact N-O 2.9Å; M99-Y106 PolarHBondContact O-N 2.88Å; M99-E108 HydrophobicContact CB-CB 4.32Å; M99-E108 HydrophobicContact CG-CB 4.01Å; M99-E108 HydrophobicContact SD-CB 4Å; M99-E108 HydrophobicContact SD-CG 3.92Å
100	L	89.6	Confident	90.2	Very high	49 Å²	49	56.1 Å²	56.1	26%	0.257	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	116.2	174.7	-175.2	66.5	0	0	0	109.8	F28 W105	F28-L100 HydrophobicContact CE2-CD2 4Å; F28-L100 HydrophobicContact CZ-CD2 4.1Å; L100-W105 HydrophobicContact CB-CD2 4.3Å; L100-W105 HydrophobicContact CB-CE3 4.26Å; L100-W105 HydrophobicContact CB-CH2 3.96Å; L100-W105 HydrophobicContact CB-CZ2 4.05Å; L100-W105 HydrophobicContact CB-CZ3 4.1Å; L100-W105 HydrophobicContact CD1-CD2 4.19Å; L100-W105 HydrophobicContact CD1-CG 4.25Å; L100-W105 HydrophobicContact CD1-CZ2 4.32Å; L100-W105 HydrophobicContact CD2-CZ2 4.48Å
101	Y	86.6	Confident	90	Very high	123 Å²	123	59.5 Å²	59.5	48%	0.482	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.4	177.5	-174.8	-104.8	0	0	0	110.5	M99 G103 S104 Y106	M99-Y101 HydrophobicContact CE-CD2 4.43Å; Y101-G103 PolarHBondContact O-N 2.89Å; Y101-G103 VanDerWaalsContact O-N 3.09Å; Y101-S104 PolarHBondContact N-O 3.11Å; Y101-S104 PolarHBondContact O-N 2.95Å; Y101-S104 VanDerWaalsContact O-N 3.1Å; Y101-Y106 HydrophobicContact CD1-CE2 4.45Å; Y101-Y106 WeakPolarHBondContact O-CE2 3.38Å
102	K	85.4	Confident	89.8	Confident	177 Å²	177	59.2 Å²	59.2	77%	0.77	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	34.8	-180	-64.7	-179.3	176.3	170.3	0	114.5
103	G	82.4	Confident	89.3	Confident	51 Å²	51	58.5 Å²	58.5	53%	0.526	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.1	3.1	176.5	0	0	0	0	0	115.8	M63 Y101	M63-G103 WeakPolarHBondContact CE-O 3.42Å; Y101-G103 PolarHBondContact O-N 2.89Å; Y101-G103 VanDerWaalsContact O-N 3.09Å
104	S	87.3	Confident	89	Confident	45 Å²	45	63.9 Å²	63.9	32%	0.315	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.5	175	-63.5	0	0	0	0	111.2	Y101 Y106	Y101-S104 PolarHBondContact N-O 3.11Å; Y101-S104 PolarHBondContact O-N 2.95Å; Y101-S104 VanDerWaalsContact O-N 3.1Å; S104-Y106 VanDerWaalsContact O-CD2 3.24Å; S104-Y106 WeakPolarHBondContact O-CD2 3.31Å; S104-Y106 WeakPolarHBondContact O-CE2 3.41Å
105	W	91.6	Very high	88.5	Confident	4 Å²	4	70 Å²	70	2%	0.015	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.5	176.6	-70.5	92	0	0	0	111.2	F28 Q65 L67 W79 L86 W98 M99 L100	F28-W105 AromaticContact CD2-CZ2 3.92Å; F28-W105 HydrophobicContact CD2-CZ2 3.92Å; F28-W105 HydrophobicContact CE2-CZ2 4.16Å; F28-W105 HydrophobicContact CG-CZ2 4.29Å; Q65-W105 PolarHBondContact NE2-O 2.8Å; L67-W105 HydrophobicContact CD1-CB 4.3Å; L67-W105 HydrophobicContact CD2-CB 3.66Å; W79-W105 HydrophobicContact CE3-CH2 4.42Å; W79-W105 HydrophobicContact CH2-CH2 4.33Å; W79-W105 HydrophobicContact CH2-CZ2 4.03Å; W79-W105 AromaticContact CZ3-CH2 3.51Å; W79-W105 HydrophobicContact CZ3-CH2 3.51Å; W79-W105 AromaticContact CZ3-CZ2 3.63Å; W79-W105 HydrophobicContact CZ3-CZ2 3.63Å; W79-W105 HydrophobicContact CZ3-CZ3 4.27Å; L86-W105 HydrophobicContact CB-CE3 4.33Å; L86-W105 HydrophobicContact CB-CH2 4.45Å; L86-W105 HydrophobicContact CB-CZ3 3.93Å; W98-W105 HydrophobicContact CB-CE3 3.9Å; M99-W105 WeakPolarHBondContact O-CA 3.41Å; L100-W105 HydrophobicContact CB-CD2 4.3Å; L100-W105 HydrophobicContact CB-CE3 4.26Å; L100-W105 HydrophobicContact CB-CH2 3.96Å; L100-W105 HydrophobicContact CB-CZ2 4.05Å; L100-W105 HydrophobicContact CB-CZ3 4.1Å; L100-W105 HydrophobicContact CD1-CD2 4.19Å; L100-W105 HydrophobicContact CD1-CG 4.25Å; L100-W105 HydrophobicContact CD1-CZ2 4.32Å; L100-W105 HydrophobicContact CD2-CZ2 4.48Å
106	Y	90.3	Very high	88.3	Confident	121 Å²	121	70.5 Å²	70.5	48%	0.475	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.3	179.4	-65.2	-85.7	0	0	0	111.5	W98 M99 Y101 S104	W98-Y106 CarbonylContact C-O 3.56Å; W98-Y106 WeakPolarHBondContact CA-O 3.3Å; M99-Y106 PolarHBondContact N-O 2.9Å; M99-Y106 PolarHBondContact O-N 2.88Å; Y101-Y106 HydrophobicContact CD1-CE2 4.45Å; Y101-Y106 WeakPolarHBondContact O-CE2 3.38Å; S104-Y106 VanDerWaalsContact O-CD2 3.24Å; S104-Y106 WeakPolarHBondContact O-CD2 3.31Å; S104-Y106 WeakPolarHBondContact O-CE2 3.41Å
107	E	92.5	Very high	88.1	Confident	88 Å²	88	72 Å²	72	41%	0.411	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	126.8	173.2	-58.5	179.2	165.1	0	0	110.3	E68 I96 W98	E68-E107 VanDerWaalsContact O-OE1 3.13Å; I96-E107 HydrophobicContact CG2-CB 4.38Å; I96-E107 HydrophobicContact CG2-CG 4.04Å; W98-E107 HydrophobicContact CD2-CG 4.48Å; W98-E107 HydrophobicContact CE3-CG 3.76Å; W98-E107 HydrophobicContact CH2-CG 3.52Å; W98-E107 WeakPolarHBondContact CH2-OE1 3.48Å; W98-E107 HydrophobicContact CZ2-CG 4.31Å; W98-E107 HydrophobicContact CZ3-CB 4.38Å; W98-E107 HydrophobicContact CZ3-CG 3.23Å
108	E	90.4	Very high	88	Confident	90 Å²	90	71.6 Å²	71.6	42%	0.421	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-47.5	174.2	-173.8	-172.3	-178.3	0	0	110.9	K85 V97 M99	K85-E108 WeakPolarHBondContact CD-OE2 3.24Å; K85-E108 WeakPolarHBondContact CE-OE2 3.37Å; K85-E108 IonicContact NZ-OE1 2.72Å; K85-E108 PolarHBondContact NZ-OE1 2.84Å; K85-E108 IonicContact NZ-OE2 2.86Å; K85-E108 PolarHBondContact NZ-OE2 3.2Å; V97-E108 PolarHBondContact O-N 2.79Å; M99-E108 HydrophobicContact CB-CB 4.32Å; M99-E108 HydrophobicContact CG-CB 4.01Å; M99-E108 HydrophobicContact SD-CB 4Å; M99-E108 HydrophobicContact SD-CG 3.92Å
109	M	88.4	Confident	87.9	Confident	72 Å²	72	77.1 Å²	77.1	36%	0.355	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	142.3	-175.1	-178.1	177.2	61.8	0	0	110.7	I96 V97	I96-M109 WeakPolarHBondContact CA-O 3.35Å; V97-M109 HydrophobicContact CB-CB 4.18Å; V97-M109 HydrophobicContact CB-CE 4.43Å; V97-M109 HydrophobicContact CG2-CB 4.43Å; V97-M109 HydrophobicContact CG2-CE 3.63Å; V97-M109 PolarHBondContact N-O 3.11Å; V97-M109 PolarHBondContact O-N 3.1Å
110	I	89.7	Confident	87.9	Confident	91 Å²	91	74.6 Å²	74.6	47%	0.467	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.9	175.3	-58.3	175.1	0	0	0	108.5	L94 I95 I96	L94-I110 HydrophobicContact CD1-CG2 3.43Å; L94-I110 VanDerWaalsContact CD1-CG2 3.43Å; I95-I110 WeakPolarHBondContact O-CA 3.27Å; I96-I110 HydrophobicContact CG1-CG1 4.32Å; I96-I110 HydrophobicContact CG2-CG1 4.29Å
111	N	87.5	Confident	88.1	Confident	74 Å²	74	72.8 Å²	72.8	40%	0.396	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.4	171.1	-173.5	-20.9	0	0	0	108.7	I95	I95-N111 HydrophobicContact CB-CB 4.44Å; I95-N111 PolarHBondContact N-O 3Å; I95-N111 PolarHBondContact O-N 3.47Å
112	N	85	Confident	88.5	Confident	74 Å²	74	67.6 Å²	67.6	40%	0.396	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	110.9	179.2	-165.6	-12.1	0	0	0	111.2	L94 N114	L94-N112 HydrophobicContact CD1-CB 3.71Å; N112-N114 VanDerWaalsContact CG-CG 3.45Å; N112-N114 PolarHBondContact ND2-ND2 3.27Å; N112-N114 VanDerWaalsContact ND2-ND2 3.16Å; N112-N114 PolarHBondContact ND2-OD1 3.18Å; N112-N114 VanDerWaalsContact ND2-OD1 3.12Å; N112-N114 PolarHBondContact OD1-N 3.05Å; N112-N114 PolarHBondContact OD1-ND2 3.01Å; N112-N114 PolarHBondContact OD1-OD1 3.49Å
113	R	79.6	Confident	88.8	Confident	61 Å²	61	60.2 Å²	60.2	23%	0.23	30%	0.303	C	S	.	.			trans	-89.4	-25.5	176.3	-167.4	179.5	172.6	-125	-5.8	112.8	K115 Y134 D136	R113-K115 HydrophobicContact CG-CB 4.14Å; R113-K115 WeakPolarHBondContact O-CB 3.11Å; R113-K115 PolarHBondContact O-N 3.29Å; R113-Y134 HydrophobicContact CB-CE1 4.16Å; R113-Y134 VanDerWaalsContact CD-CZ 3.44Å; R113-Y134 HydrophobicContact CG-CE1 4.46Å; R113-Y134 VanDerWaalsContact NH1-CB 3.29Å; R113-Y134 VanDerWaalsContact NH1-CD1 3.32Å; R113-D136 IonicContact CZ-OD1 2.74Å; R113-D136 IonicContact CZ-OD2 3.4Å; R113-D136 IonicContact NH1-OD1 2.81Å; R113-D136 PolarHBondContact NH1-OD1 2.83Å; R113-D136 IonicContact NH1-OD2 3.23Å; R113-D136 PolarHBondContact NH1-OD2 3.2Å; R113-D136 IonicContact NH2-OD1 2.79Å; R113-D136 PolarHBondContact NH2-OD1 2.9Å; R113-D136 IonicContact NH2-OD2 2.74Å; R113-D136 PolarHBondContact NH2-OD2 3.31Å
114	N	80.8	Confident	89.2	Confident	114 Å²	114	58.2 Å²	58.2	61%	0.61	28%	0.281	S	S	*	.			trans	42.2	36	179.7	-82.4	-21.8	0	0	0	114.9	N92 N112	N92-N114 WeakPolarHBondContact O-CA 3.42Å; N112-N114 VanDerWaalsContact CG-CG 3.45Å; N112-N114 PolarHBondContact ND2-ND2 3.27Å; N112-N114 VanDerWaalsContact ND2-ND2 3.16Å; N112-N114 PolarHBondContact ND2-OD1 3.18Å; N112-N114 VanDerWaalsContact ND2-OD1 3.12Å; N112-N114 PolarHBondContact OD1-N 3.05Å; N112-N114 PolarHBondContact OD1-ND2 3.01Å; N112-N114 PolarHBondContact OD1-OD1 3.49Å
115	K	82.9	Confident	89.1	Confident	145 Å²	145	57.2 Å²	57.2	63%	0.63	28%	0.275	S	S	*	.	S	Bend	trans	-128.9	-36.8	-173.5	-172.9	178.3	174.1	-169.5	0	113.4	R113	R113-K115 HydrophobicContact CG-CB 4.14Å; R113-K115 WeakPolarHBondContact O-CB 3.11Å; R113-K115 PolarHBondContact O-N 3.29Å
116	S	87.6	Confident	88.9	Confident	17 Å²	17	61.7 Å²	61.7	12%	0.119	30%	0.299	C	S	.	.	S	Bend	trans	-157.4	151.9	-175.9	-178.5	0	0	0	0	109.2	Y134 E135 D136	S116-Y134 WeakPolarHBondContact O-CD1 3.25Å; S116-E135 PolarHBondContact OG-N 3.38Å; S116-D136 VanDerWaalsContact CB-CG 3.47Å; S116-D136 PolarHBondContact OG-N 3.29Å; S116-D136 VanDerWaalsContact OG-N 3.09Å
117	V	90.9	Very high	88.8	Confident	33 Å²	33	56 Å²	56	20%	0.2	28%	0.278	C	S	.	.			trans	-67.3	138	178.3	-179.4	0	0	0	0	109.6	Q75 E91 R119 Y134 E135	Q75-V117 HydrophobicContact CG-CG1 4.33Å; E91-V117 WeakPolarHBondContact O-CG2 3.27Å; V117-R119 PolarHBondContact O-N 3.01Å; V117-Y134 WeakPolarHBondContact O-CA 3.45Å; V117-E135 PolarHBondContact O-N 3.09Å
118	V	92.5	Very high	88.8	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	116.5	167.5	177.7	0	0	0	0	108.1	I95 M121 I132 Y134	I95-V118 HydrophobicContact CD1-CG2 3.86Å; I95-V118 HydrophobicContact CG1-CG2 3.98Å; V118-M121 HydrophobicContact CG1-CG 3.67Å; V118-M121 HydrophobicContact CG1-SD 4.14Å; V118-I132 HydrophobicContact CG1-CG2 4.01Å; V118-I132 HydrophobicContact CG2-CG2 4.27Å; V118-Y134 HydrophobicContact CG2-CD1 3.77Å; V118-Y134 HydrophobicContact CG2-CE1 3.39Å
119	R	91.8	Very high	89	Confident	121 Å²	121	55.1 Å²	55.1	46%	0.457	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-33.8	-178.1	-76.4	-64.5	-158.2	152.7	3.4	113	V76 V117 V133 E135	V76-R119 WeakPolarHBondContact CG2-O 3.34Å; V117-R119 PolarHBondContact O-N 3.01Å; R119-V133 PolarHBondContact N-O 3.34Å; R119-E135 HydrophobicContact CG-CB 3.81Å; R119-E135 HydrophobicContact CG-CG 4.41Å; R119-E135 IonicContact CZ-OE1 3.92Å; R119-E135 IonicContact NE-OE1 3.55Å; R119-E135 PolarHBondContact NE-OE1 2.85Å; R119-E135 IonicContact NE-OE2 2.77Å; R119-E135 IonicContact NH2-OE1 2.77Å; R119-E135 PolarHBondContact NH2-OE1 2.81Å
120	S	92.8	Very high	89.3	Confident	16 Å²	16	52.3 Å²	52.3	11%	0.112	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	148.8	-178.6	-172.2	0	0	0	0	111.5	V133 V162	S120-V133 PolarHBondContact O-N 2.8Å; S120-V162 PolarHBondContact OG-N 2.93Å
121	M	94.8	Very high	89.5	Confident	11 Å²	11	48 Å²	48	5%	0.054	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	139.4	176.4	-64.8	-172.4	-74.9	0	0	109.6	V76 T78 T87 I95 V118 I130 C131 I132	V76-M121 HydrophobicContact CB-CE 3.82Å; V76-M121 HydrophobicContact CG1-CB 4.06Å; V76-M121 HydrophobicContact CG1-CE 3.72Å; V76-M121 HydrophobicContact CG1-CG 4.28Å; T78-M121 HydrophobicContact CG2-CB 4.03Å; T78-M121 HydrophobicContact CG2-CE 4.45Å; T87-M121 HydrophobicContact CG2-CE 4.02Å; T87-M121 HydrophobicContact CG2-SD 3.85Å; I95-M121 HydrophobicContact CD1-SD 4.39Å; I95-M121 HydrophobicContact CG2-SD 4.3Å; V118-M121 HydrophobicContact CG1-CG 3.67Å; V118-M121 HydrophobicContact CG1-SD 4.14Å; M121-I130 HydrophobicContact CB-CD1 4.42Å; M121-I130 HydrophobicContact SD-CD1 4.43Å; M121-C131 WeakPolarHBondContact CA-O 3.1Å; M121-I132 HydrophobicContact CG-CB 4.49Å; M121-I132 HydrophobicContact CG-CG1 4.18Å; M121-I132 HydrophobicContact CG-CG2 4.25Å; M121-I132 HydrophobicContact SD-CG1 4.26Å
122	S	93.4	Very high	89.9	Confident	15 Å²	15	45.1 Å²	45.1	11%	0.105	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	126.9	179.3	-177	0	0	0	0	111	C131 W164	S122-C131 PolarHBondContact N-O 3.25Å; S122-C131 PolarHBondContact O-N 2.96Å; S122-W164 VanDerWaalsContact O-CD1 3.29Å; S122-W164 PolarHBondContact O-NE1 3.47Å
123	W	92.3	Very high	90.3	Very high	21 Å²	21	41.6 Å²	41.6	8%	0.08	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	138.8	168.1	-70.8	106	0	0	0	109.5	W79 N80 T87 G127 I130 V144	W79-W123 VanDerWaalsContact C-CD1 3.46Å; N80-W123 HydrophobicContact CB-CD2 3.75Å; N80-W123 VanDerWaalsContact CB-CE2 3.5Å; N80-W123 HydrophobicContact CB-CE3 4.18Å; N80-W123 HydrophobicContact CB-CG 4.19Å; N80-W123 HydrophobicContact CB-CH2 4.17Å; N80-W123 HydrophobicContact CB-CZ2 3.71Å; N80-W123 HydrophobicContact CB-CZ3 4.39Å; N80-W123 VanDerWaalsContact ND2-CH2 3.34Å; N80-W123 WeakPolarHBondContact ND2-CH2 3.49Å; N80-W123 WeakPolarHBondContact ND2-CZ3 3.45Å; T87-W123 WeakPolarHBondContact OG1-CZ2 3.49Å; W123-G127 WeakPolarHBondContact CZ3-O 3.33Å; W123-I130 HydrophobicContact CD2-CB 4.09Å; W123-I130 HydrophobicContact CD2-CD1 4.19Å; W123-I130 HydrophobicContact CD2-CG1 4.23Å; W123-I130 HydrophobicContact CE3-CB 3.78Å; W123-I130 HydrophobicContact CE3-CG1 4.42Å; W123-I130 HydrophobicContact CH2-CB 4.19Å; W123-I130 HydrophobicContact CH2-CD1 4.37Å; W123-I130 HydrophobicContact CH2-CG2 4.43Å; W123-I130 HydrophobicContact CZ2-CB 4.48Å; W123-I130 HydrophobicContact CZ2-CD1 3.89Å; W123-I130 HydrophobicContact CZ3-CB 3.82Å; W123-I130 HydrophobicContact CZ3-CG2 4.32Å; W123-V144 HydrophobicContact CH2-CG2 4.37Å; W123-V144 HydrophobicContact CZ3-CB 4.3Å; W123-V144 HydrophobicContact CZ3-CG2 4.3Å
124	N	90.7	Very high	90.9	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.053	19%	0.191	C	C	.	.			trans	-73	168.1	173.2	80.7	-46.8	0	0	0	111.1	D126 G127 Q128 K129 W164 S168	N124-D126 VanDerWaalsContact C-N 3.27Å; N124-D126 PolarHBondContact O-N 3.43Å; N124-G127 PolarHBondContact O-N 3.21Å; N124-G127 PolarHBondContact OD1-N 3.07Å; N124-Q128 PolarHBondContact OD1-N 2.95Å; N124-K129 HydrophobicContact CB-CB 4.39Å; N124-K129 PolarHBondContact N-O 2.96Å; N124-K129 PolarHBondContact OD1-N 3.34Å; N124-K129 PolarHBondContact OD1-O 3.29Å; N124-K129 VanDerWaalsContact OD1-O 3.1Å; N124-W164 HydrophobicContact CB-CD2 3.82Å; N124-W164 HydrophobicContact CB-CE3 4.26Å; N124-W164 HydrophobicContact CB-CG 3.96Å; N124-S168 PolarHBondContact ND2-OG 3.39Å
125	A	85.6	Confident	91.5	Very high	23 Å²	23	36 Å²	36	19%	0.19	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-37.7	-173.2	0	0	0	0	0	113.8	G127 A166 S168	A125-G127 VanDerWaalsContact C-N 3.32Å; A125-A166 WeakPolarHBondContact CB-O 3.44Å; A125-S168 PolarHBondContact N-OG 2.85Å
126	D	86.6	Confident	91.9	Very high	98 Å²	98	31.6 Å²	31.6	52%	0.524	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-3.2	179	-55.4	-24.6	0	0	0	113.4	N124 Q128	N124-D126 VanDerWaalsContact C-N 3.27Å; N124-D126 PolarHBondContact O-N 3.43Å; D126-Q128 HydrophobicContact CB-CG 4.31Å; D126-Q128 PolarHBondContact O-N 2.94Å; D126-Q128 VanDerWaalsContact O-N 3.11Å
127	G	89.3	Confident	92	Very high	2 Å²	2	30.8 Å²	30.8	2%	0.021	15%	0.153	C	C	.	.	S	Bend	trans	69.2	2	-178.1	0	0	0	0	0	115.7	N80 W123 N124 A125	N80-G127 PolarHBondContact ND2-O 3.31Å; W123-G127 WeakPolarHBondContact CZ3-O 3.33Å; N124-G127 PolarHBondContact O-N 3.21Å; N124-G127 PolarHBondContact OD1-N 3.07Å; A125-G127 VanDerWaalsContact C-N 3.32Å
128	Q	92.3	Very high	92	Very high	98 Å²	98	29.7 Å²	29.7	46%	0.458	15%	0.147	S	C	.	.	S	Bend	trans	-78.2	-25.1	-177	-68.2	-174.7	-4.6	0	0	114.1	Y83 N124 D126 S143 V144	Y83-Q128 HydrophobicContact CE2-CG 4.26Å; N124-Q128 PolarHBondContact OD1-N 2.95Å; D126-Q128 HydrophobicContact CB-CG 4.31Å; D126-Q128 PolarHBondContact O-N 2.94Å; D126-Q128 VanDerWaalsContact O-N 3.11Å; Q128-S143 CarbonylContact O-C 3.5Å; Q128-S143 VanDerWaalsContact O-CA 3.27Å; Q128-S143 WeakPolarHBondContact O-CA 3.29Å; Q128-V144 PolarHBondContact O-N 3.13Å
129	K	93.7	Very high	92.1	Very high	61 Å²	61	29.8 Å²	29.8	27%	0.265	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	139	-175.3	-56.7	-175.7	-175.9	170.8	0	110.5	N124 V141 G142 I149 W164	N124-K129 HydrophobicContact CB-CB 4.39Å; N124-K129 PolarHBondContact N-O 2.96Å; N124-K129 PolarHBondContact OD1-N 3.34Å; N124-K129 PolarHBondContact OD1-O 3.29Å; N124-K129 VanDerWaalsContact OD1-O 3.1Å; K129-V141 HydrophobicContact CB-CG1 4.39Å; K129-G142 CarbonylContact C-O 3.42Å; K129-G142 VanDerWaalsContact CA-O 3.27Å; K129-G142 WeakPolarHBondContact CA-O 3.39Å; K129-I149 HydrophobicContact CB-CD1 4.37Å; K129-I149 HydrophobicContact CD-CD1 3.71Å; K129-I149 HydrophobicContact CG-CD1 3.62Å; K129-W164 HydrophobicContact CB-CZ2 4.21Å; K129-W164 HydrophobicContact CD-CH2 4.48Å
130	I	94.7	Very high	92.2	Very high	13 Å²	13	25.3 Å²	25.3	7%	0.067	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.7	171.6	-170.7	172.9	0	0	0	109.3	T78 T87 M121 W123 I132 V141 G142	T78-I130 HydrophobicContact CG2-CD1 4.45Å; T87-I130 HydrophobicContact CG2-CD1 4.1Å; M121-I130 HydrophobicContact CB-CD1 4.42Å; M121-I130 HydrophobicContact SD-CD1 4.43Å; W123-I130 HydrophobicContact CD2-CB 4.09Å; W123-I130 HydrophobicContact CD2-CD1 4.19Å; W123-I130 HydrophobicContact CD2-CG1 4.23Å; W123-I130 HydrophobicContact CE3-CB 3.78Å; W123-I130 HydrophobicContact CE3-CG1 4.42Å; W123-I130 HydrophobicContact CH2-CB 4.19Å; W123-I130 HydrophobicContact CH2-CD1 4.37Å; W123-I130 HydrophobicContact CH2-CG2 4.43Å; W123-I130 HydrophobicContact CZ2-CB 4.48Å; W123-I130 HydrophobicContact CZ2-CD1 3.89Å; W123-I130 HydrophobicContact CZ3-CB 3.82Å; W123-I130 HydrophobicContact CZ3-CG2 4.32Å; I130-I132 HydrophobicContact CD1-CG1 4.39Å; I130-I132 HydrophobicContact CG1-CG1 4.27Å; I130-I132 HydrophobicContact CG2-CD1 4.44Å; I130-V141 CarbonylContact O-C 3.55Å; I130-V141 VanDerWaalsContact O-CA 3.28Å; I130-V141 WeakPolarHBondContact O-CA 3.48Å; I130-G142 PolarHBondContact N-O 3.4Å; I130-G142 PolarHBondContact O-N 2.95Å
131	C	95.2	Very high	92.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.7	169.2	-168.6	0	0	0	0	109.3	M121 S122 V141 V162 W164 L171	M121-C131 WeakPolarHBondContact CA-O 3.1Å; S122-C131 PolarHBondContact N-O 3.25Å; S122-C131 PolarHBondContact O-N 2.96Å; C131-V141 HydrophobicContact CB-CG2 4Å; C131-V162 HydrophobicContact CB-CG2 4.11Å; C131-W164 HydrophobicContact CB-CZ2 3.91Å; C131-L171 HydrophobicContact CB-CD2 3.94Å
132	I	94.6	Very high	92.2	Very high	14 Å²	14	24.4 Å²	24.4	7%	0.072	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127	-178	-57.7	164.3	0	0	0	107.5	I95 V118 M121 I130 Y134 V139 I140	I95-I132 HydrophobicContact CD1-CD1 3.9Å; I95-I132 HydrophobicContact CD1-CG1 4.49Å; I95-I132 HydrophobicContact CD1-CG2 3.75Å; V118-I132 HydrophobicContact CG1-CG2 4.01Å; V118-I132 HydrophobicContact CG2-CG2 4.27Å; M121-I132 HydrophobicContact CG-CB 4.49Å; M121-I132 HydrophobicContact CG-CG1 4.18Å; M121-I132 HydrophobicContact CG-CG2 4.25Å; M121-I132 HydrophobicContact SD-CG1 4.26Å; I130-I132 HydrophobicContact CD1-CG1 4.39Å; I130-I132 HydrophobicContact CG1-CG1 4.27Å; I130-I132 HydrophobicContact CG2-CD1 4.44Å; I132-Y134 HydrophobicContact CG2-CD2 4.47Å; I132-Y134 HydrophobicContact CG2-CE2 3.85Å; I132-V139 WeakPolarHBondContact O-CA 3.25Å; I132-I140 PolarHBondContact N-O 3.45Å; I132-I140 PolarHBondContact O-N 3.45Å
133	V	94.2	Very high	92.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	127.7	-177.1	172.3	0	0	0	0	110.7	R119 S120 V139 L159 V162 F173	R119-V133 PolarHBondContact N-O 3.34Å; S120-V133 PolarHBondContact O-N 2.8Å; V133-V139 HydrophobicContact CG2-CG1 4.12Å; V133-V139 HydrophobicContact CG2-CG2 4.12Å; V133-L159 HydrophobicContact CG1-CB 3.25Å; V133-L159 HydrophobicContact CG1-CD1 3.45Å; V133-L159 VanDerWaalsContact CG1-CD1 3.45Å; V133-L159 HydrophobicContact CG1-CG 3.93Å; V133-V162 HydrophobicContact CB-CB 4.36Å; V133-V162 HydrophobicContact CB-CG1 4.27Å; V133-V162 HydrophobicContact CG2-CB 3.65Å; V133-V162 HydrophobicContact CG2-CG1 3.85Å; V133-V162 HydrophobicContact CG2-CG2 4.03Å; V133-F173 HydrophobicContact CG2-CD1 4.15Å; V133-F173 HydrophobicContact CG2-CE1 4.04Å
134	Y	93.3	Very high	92.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	151.3	178.3	-61.9	-90.2	0	0	0	111.2	R113 S116 V117 V118 I132 D136 G137 A138 I140	R113-Y134 HydrophobicContact CB-CE1 4.16Å; R113-Y134 VanDerWaalsContact CD-CZ 3.44Å; R113-Y134 HydrophobicContact CG-CE1 4.46Å; R113-Y134 VanDerWaalsContact NH1-CB 3.29Å; R113-Y134 VanDerWaalsContact NH1-CD1 3.32Å; S116-Y134 WeakPolarHBondContact O-CD1 3.25Å; V117-Y134 WeakPolarHBondContact O-CA 3.45Å; V118-Y134 HydrophobicContact CG2-CD1 3.77Å; V118-Y134 HydrophobicContact CG2-CE1 3.39Å; I132-Y134 HydrophobicContact CG2-CD2 4.47Å; I132-Y134 HydrophobicContact CG2-CE2 3.85Å; Y134-D136 WeakPolarHBondContact CB-OD1 3.48Å; Y134-D136 PolarHBondContact O-N 2.96Å; Y134-G137 PolarHBondContact O-N 2.86Å; Y134-A138 HydrophobicContact CD2-CB 3.97Å; Y134-A138 WeakPolarHBondContact CD2-O 3.37Å; Y134-A138 HydrophobicContact CG-CB 4.43Å; Y134-A138 PolarHBondContact N-O 3.25Å; Y134-I140 HydrophobicContact CE2-CD1 3.84Å; Y134-I140 HydrophobicContact CE2-CG1 4.15Å
135	E	91.8	Very high	92	Very high	59 Å²	59	29.7 Å²	29.7	28%	0.276	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-30.7	179.3	-175.1	166.6	-144	0	0	113.1	S116 V117 R119 G137	S116-E135 PolarHBondContact OG-N 3.38Å; V117-E135 PolarHBondContact O-N 3.09Å; R119-E135 HydrophobicContact CG-CB 3.81Å; R119-E135 HydrophobicContact CG-CG 4.41Å; R119-E135 IonicContact CZ-OE1 3.92Å; R119-E135 IonicContact NE-OE1 3.55Å; R119-E135 PolarHBondContact NE-OE1 2.85Å; R119-E135 IonicContact NE-OE2 2.77Å; R119-E135 IonicContact NH2-OE1 2.77Å; R119-E135 PolarHBondContact NH2-OE1 2.81Å; E135-G137 PolarHBondContact O-N 2.93Å
136	D	91	Very high	92	Very high	52 Å²	52	30.2 Å²	30.2	28%	0.278	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	3.6	179.7	73	-21.6	0	0	0	114.8	R113 S116 Y134 A138	R113-D136 IonicContact CZ-OD1 2.74Å; R113-D136 IonicContact CZ-OD2 3.4Å; R113-D136 IonicContact NH1-OD1 2.81Å; R113-D136 PolarHBondContact NH1-OD1 2.83Å; R113-D136 IonicContact NH1-OD2 3.23Å; R113-D136 PolarHBondContact NH1-OD2 3.2Å; R113-D136 IonicContact NH2-OD1 2.79Å; R113-D136 PolarHBondContact NH2-OD1 2.9Å; R113-D136 IonicContact NH2-OD2 2.74Å; R113-D136 PolarHBondContact NH2-OD2 3.31Å; S116-D136 VanDerWaalsContact CB-CG 3.47Å; S116-D136 PolarHBondContact OG-N 3.29Å; S116-D136 VanDerWaalsContact OG-N 3.09Å; Y134-D136 WeakPolarHBondContact CB-OD1 3.48Å; Y134-D136 PolarHBondContact O-N 2.96Å; D136-A138 WeakPolarHBondContact OD1-CB 3.3Å; D136-A138 PolarHBondContact OD1-N 3.25Å
137	G	89.9	Confident	92.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	91.5	-0.4	179	0	0	0	0	0	114.1	Y134 E135 L154 I157	Y134-G137 PolarHBondContact O-N 2.86Å; E135-G137 PolarHBondContact O-N 2.93Å; G137-L154 WeakPolarHBondContact O-CB 3.39Å; G137-L154 PolarHBondContact O-N 3.22Å; G137-I157 VanDerWaalsContact CA-O 3.28Å; G137-I157 WeakPolarHBondContact CA-O 3.2Å
138	A	92.6	Very high	92.3	Very high	9 Å²	9	38.3 Å²	38.3	7%	0.074	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	137.5	173.4	0	0	0	0	0	111.5	Y134 D136	Y134-A138 HydrophobicContact CD2-CB 3.97Å; Y134-A138 WeakPolarHBondContact CD2-O 3.37Å; Y134-A138 HydrophobicContact CG-CB 4.43Å; Y134-A138 PolarHBondContact N-O 3.25Å; D136-A138 WeakPolarHBondContact OD1-CB 3.3Å; D136-A138 PolarHBondContact OD1-N 3.25Å
139	V	94	Very high	92.3	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.9	176.5	-177.3	0	0	0	0	109.2	I132 V133 W150 G151 K152 L154 L159 F173	I132-V139 WeakPolarHBondContact O-CA 3.25Å; V133-V139 HydrophobicContact CG2-CG1 4.12Å; V133-V139 HydrophobicContact CG2-CG2 4.12Å; V139-W150 HydrophobicContact CB-CZ3 4.31Å; V139-W150 HydrophobicContact CG1-CH2 3.88Å; V139-W150 HydrophobicContact CG1-CZ3 3.92Å; V139-G151 CarbonylContact O-C 3.45Å; V139-G151 WeakPolarHBondContact O-CA 3.32Å; V139-K152 PolarHBondContact N-O 3.34Å; V139-K152 PolarHBondContact O-N 3.18Å; V139-L154 HydrophobicContact CG2-CD1 4.42Å; V139-L159 HydrophobicContact CG2-CD1 3.49Å; V139-L159 VanDerWaalsContact CG2-CD1 3.49Å; V139-F173 HydrophobicContact CG1-CE1 4.03Å; V139-F173 HydrophobicContact CG1-CZ 3.74Å; V139-F173 HydrophobicContact CG2-CE2 4.43Å; V139-F173 HydrophobicContact CG2-CZ 4.28Å
140	I	93.8	Very high	92.3	Very high	27 Å²	27	36.4 Å²	36.4	14%	0.138	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	130.6	175.8	-59.3	179.9	0	0	0	108.5	I132 Y134 R148	I132-I140 PolarHBondContact N-O 3.45Å; I132-I140 PolarHBondContact O-N 3.45Å; Y134-I140 HydrophobicContact CE2-CD1 3.84Å; Y134-I140 HydrophobicContact CE2-CG1 4.15Å; I140-R148 HydrophobicContact CG2-CG 4.16Å
141	V	94.7	Very high	92.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	120.8	166.6	176.3	0	0	0	0	108.7	K129 I130 C131 I149 W150 W164 L171	K129-V141 HydrophobicContact CB-CG1 4.39Å; I130-V141 CarbonylContact O-C 3.55Å; I130-V141 VanDerWaalsContact O-CA 3.28Å; I130-V141 WeakPolarHBondContact O-CA 3.48Å; C131-V141 HydrophobicContact CB-CG2 4Å; V141-I149 HydrophobicContact CG1-CB 4.35Å; V141-I149 HydrophobicContact CG1-CD1 4.23Å; V141-I149 WeakPolarHBondContact O-CB 3.29Å; V141-I149 PolarHBondContact O-N 3.42Å; V141-W150 HydrophobicContact CB-CD2 4.07Å; V141-W150 HydrophobicContact CB-CG 4.31Å; V141-W150 HydrophobicContact CB-CZ2 4.09Å; V141-W150 HydrophobicContact CG2-CD2 4.09Å; V141-W150 VanDerWaalsContact CG2-CE2 3.4Å; V141-W150 HydrophobicContact CG2-CH2 3.77Å; V141-W150 HydrophobicContact CG2-CZ2 3.25Å; V141-W150 HydrophobicContact CG2-CZ3 4.39Å; V141-W150 PolarHBondContact N-O 3.47Å; V141-W150 PolarHBondContact O-N 3.41Å; V141-W164 HydrophobicContact CG1-CH2 4.2Å; V141-W164 HydrophobicContact CG1-CZ2 4.05Å; V141-W164 HydrophobicContact CG2-CZ2 4.31Å; V141-L171 HydrophobicContact CG2-CD1 4.28Å
142	G	93.6	Very high	92.1	Very high	8 Å²	8	41 Å²	41	8%	0.082	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	160.6	179.8	0	0	0	0	0	112.3	K129 I130 N147	K129-G142 CarbonylContact C-O 3.42Å; K129-G142 VanDerWaalsContact CA-O 3.27Å; K129-G142 WeakPolarHBondContact CA-O 3.39Å; I130-G142 PolarHBondContact N-O 3.4Å; I130-G142 PolarHBondContact O-N 2.95Å; G142-N147 CarbonylContact C-O 3.47Å; G142-N147 VanDerWaalsContact CA-O 3.26Å; G142-N147 WeakPolarHBondContact CA-O 3.41Å
143	S	93.1	Very high	91.9	Very high	21 Å²	21	44.3 Å²	44.3	15%	0.147	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	162.9	168.7	76.2	0	0	0	0	111.2	Q128 D145 G146 N147	Q128-S143 CarbonylContact O-C 3.5Å; Q128-S143 VanDerWaalsContact O-CA 3.27Å; Q128-S143 WeakPolarHBondContact O-CA 3.29Å; S143-D145 PolarHBondContact O-N 3.37Å; S143-D145 PolarHBondContact OG-N 3.4Å; S143-G146 PolarHBondContact O-N 3.05Å; S143-N147 PolarHBondContact N-O 3.33Å; S143-N147 WeakPolarHBondContact OG-CB 3.45Å; S143-N147 PolarHBondContact OG-N 3.04Å
144	V	91.2	Very high	91.6	Very high	10 Å²	10	45 Å²	45	6%	0.061	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.8	175	67.1	0	0	0	0	113.9	Y83 K85 W123 Q128 G146	Y83-V144 HydrophobicContact CD1-CG2 4.13Å; Y83-V144 HydrophobicContact CD2-CB 4.46Å; Y83-V144 HydrophobicContact CD2-CG2 3.82Å; Y83-V144 HydrophobicContact CE1-CG1 4.28Å; Y83-V144 HydrophobicContact CE2-CG1 4.31Å; Y83-V144 HydrophobicContact CE2-CG2 4.37Å; Y83-V144 HydrophobicContact CG-CG2 3.68Å; K85-V144 HydrophobicContact CD-CG2 4.18Å; K85-V144 PolarHBondContact NZ-O 2.93Å; W123-V144 HydrophobicContact CH2-CG2 4.37Å; W123-V144 HydrophobicContact CZ3-CB 4.3Å; W123-V144 HydrophobicContact CZ3-CG2 4.3Å; Q128-V144 PolarHBondContact O-N 3.13Å; V144-G146 VanDerWaalsContact C-N 3.28Å
145	D	88.1	Confident	91.1	Very high	127 Å²	127	53.4 Å²	53.4	68%	0.679	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-0.9	176.1	-50.1	-53.4	0	0	0	113.3	S143	S143-D145 PolarHBondContact O-N 3.37Å; S143-D145 PolarHBondContact OG-N 3.4Å
146	G	85	Confident	90.4	Very high	33 Å²	33	54.9 Å²	54.9	34%	0.34	31%	0.305	S	S	.	.	S	Bend	trans	90	3.1	180	0	0	0	0	0	115.2	S143 V144	S143-G146 PolarHBondContact O-N 3.05Å; V144-G146 VanDerWaalsContact C-N 3.28Å
147	N	89.9	Confident	90.3	Very high	108 Å²	108	54.5 Å²	54.5	58%	0.578	30%	0.303	S	S	*	.			trans	-76.1	133.3	176.9	-66.1	-43	0	0	0	110.8	G142 S143 I149	G142-N147 CarbonylContact C-O 3.47Å; G142-N147 VanDerWaalsContact CA-O 3.26Å; G142-N147 WeakPolarHBondContact CA-O 3.41Å; S143-N147 PolarHBondContact N-O 3.33Å; S143-N147 WeakPolarHBondContact OG-CB 3.45Å; S143-N147 PolarHBondContact OG-N 3.04Å; N147-I149 PolarHBondContact O-N 3.32Å
148	R	91.4	Very high	90.3	Very high	163 Å²	163	60.3 Å²	60.3	62%	0.615	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	118.3	173.1	-178.8	173.4	174.8	-173.2	-5.9	110	I140 G151	I140-R148 HydrophobicContact CG2-CG 4.16Å; R148-G151 VanDerWaalsContact NH2-CA 3.26Å; R148-G151 PolarHBondContact NH2-O 3.29Å
149	I	92.3	Very high	90.3	Very high	79 Å²	79	60 Å²	60	41%	0.405	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-53.1	177	-56.9	177.3	0	0	0	109.2	K129 V141 N147	K129-I149 HydrophobicContact CB-CD1 4.37Å; K129-I149 HydrophobicContact CD-CD1 3.71Å; K129-I149 HydrophobicContact CG-CD1 3.62Å; V141-I149 HydrophobicContact CG1-CB 4.35Å; V141-I149 HydrophobicContact CG1-CD1 4.23Å; V141-I149 WeakPolarHBondContact O-CB 3.29Å; V141-I149 PolarHBondContact O-N 3.42Å; N147-I149 PolarHBondContact O-N 3.32Å
150	W	94.6	Very high	90.2	Very high	39 Å²	39	60.9 Å²	60.9	15%	0.148	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	166.9	171.7	61.2	-99.8	0	0	0	110.8	V139 V141 K152 L171 F173 N185	V139-W150 HydrophobicContact CB-CZ3 4.31Å; V139-W150 HydrophobicContact CG1-CH2 3.88Å; V139-W150 HydrophobicContact CG1-CZ3 3.92Å; V141-W150 HydrophobicContact CB-CD2 4.07Å; V141-W150 HydrophobicContact CB-CG 4.31Å; V141-W150 HydrophobicContact CB-CZ2 4.09Å; V141-W150 HydrophobicContact CG2-CD2 4.09Å; V141-W150 VanDerWaalsContact CG2-CE2 3.4Å; V141-W150 HydrophobicContact CG2-CH2 3.77Å; V141-W150 HydrophobicContact CG2-CZ2 3.25Å; V141-W150 HydrophobicContact CG2-CZ3 4.39Å; V141-W150 PolarHBondContact N-O 3.47Å; V141-W150 PolarHBondContact O-N 3.41Å; W150-K152 HydrophobicContact CE3-CB 4.26Å; W150-K152 HydrophobicContact CZ3-CB 3.96Å; W150-L171 HydrophobicContact CH2-CD1 4.28Å; W150-L171 HydrophobicContact CZ2-CD1 3.79Å; W150-F173 HydrophobicContact CH2-CZ 4.27Å; W150-N185 PolarHBondContact NE1-O 2.64Å
151	G	92.2	Very high	90.2	Very high	27 Å²	27	61.8 Å²	61.8	28%	0.278	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	148.1	164.4	0	0	0	0	0	111.1	V139 R148	V139-G151 CarbonylContact O-C 3.45Å; V139-G151 WeakPolarHBondContact O-CA 3.32Å; R148-G151 VanDerWaalsContact NH2-CA 3.26Å; R148-G151 PolarHBondContact NH2-O 3.29Å
152	K	91.9	Very high	90.2	Very high	83 Å²	83	62.1 Å²	62.1	36%	0.361	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	146.6	-170.3	-171.4	168	178.2	169.8	0	109.5	V139 W150 L154 G187	V139-K152 PolarHBondContact N-O 3.34Å; V139-K152 PolarHBondContact O-N 3.18Å; W150-K152 HydrophobicContact CE3-CB 4.26Å; W150-K152 HydrophobicContact CZ3-CB 3.96Å; K152-L154 HydrophobicContact CD-CD2 4.2Å; K152-L154 HydrophobicContact CG-CD2 4.19Å; K152-G187 WeakPolarHBondContact CD-O 3.42Å; K152-G187 PolarHBondContact NZ-O 3.31Å
153	D	90.8	Very high	90.2	Very high	84 Å²	84	62.2 Å²	62.2	45%	0.449	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	108.7	178.7	-172.1	5.5	0	0	0	109	K155	D153-K155 PolarHBondContact O-N 3.37Å
154	L	88.4	Confident	90.2	Very high	14 Å²	14	61.2 Å²	61.2	7%	0.073	33%	0.331	C	S	.	.			trans	-87.7	82.4	179.1	-58.9	-178.5	0	0	0	108.8	G137 V139 K152 G156 I157 L159 F173 Y183	G137-L154 WeakPolarHBondContact O-CB 3.39Å; G137-L154 PolarHBondContact O-N 3.22Å; V139-L154 HydrophobicContact CG2-CD1 4.42Å; K152-L154 HydrophobicContact CD-CD2 4.2Å; K152-L154 HydrophobicContact CG-CD2 4.19Å; L154-G156 PolarHBondContact O-N 2.99Å; L154-I157 HydrophobicContact CB-CB 4.14Å; L154-I157 HydrophobicContact CB-CD1 4.19Å; L154-I157 HydrophobicContact CB-CG2 4.27Å; L154-I157 WeakPolarHBondContact O-CB 3.4Å; L154-I157 PolarHBondContact O-N 3.07Å; L154-L159 HydrophobicContact CD1-CD1 4.19Å; L154-L159 HydrophobicContact CD1-CD2 4.29Å; L154-F173 HydrophobicContact CD1-CD2 4.27Å; L154-Y183 HydrophobicContact CD2-CE1 4.48Å
155	K	82.1	Confident	90.1	Very high	177 Å²	177	60.8 Å²	60.8	77%	0.77	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	132.2	-175.2	-64.6	-174.3	-179.9	-178.4	0	112.3	D153 I157	D153-K155 PolarHBondContact O-N 3.37Å; K155-I157 VanDerWaalsContact C-N 3.27Å; K155-I157 PolarHBondContact O-N 3.05Å
156	G	78.9	Confident	89.7	Confident	89 Å²	89	55.8 Å²	55.8	92%	0.918	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	9.3	176.2	0	0	0	0	0	114.4	L154	L154-G156 PolarHBondContact O-N 2.99Å
157	I	87.9	Confident	89.7	Confident	45 Å²	45	58.1 Å²	58.1	23%	0.231	31%	0.309	C	S	.	.			trans	-117	124.8	-178.4	-74.5	168	0	0	0	108.6	G137 L154 K155 L159 M175	G137-I157 VanDerWaalsContact CA-O 3.28Å; G137-I157 WeakPolarHBondContact CA-O 3.2Å; L154-I157 HydrophobicContact CB-CB 4.14Å; L154-I157 HydrophobicContact CB-CD1 4.19Å; L154-I157 HydrophobicContact CB-CG2 4.27Å; L154-I157 WeakPolarHBondContact O-CB 3.4Å; L154-I157 PolarHBondContact O-N 3.07Å; K155-I157 VanDerWaalsContact C-N 3.27Å; K155-I157 PolarHBondContact O-N 3.05Å; I157-L159 HydrophobicContact CG2-CD2 3.77Å; I157-L159 HydrophobicContact CG2-CG 4.1Å; I157-M175 HydrophobicContact CB-CE 3.88Å; I157-M175 HydrophobicContact CD1-CE 3.87Å; I157-M175 HydrophobicContact CG1-CE 3.62Å; I157-M175 HydrophobicContact CG2-CE 3.11Å; I157-M175 HydrophobicContact CG2-SD 3.24Å; I157-M175 WeakPolarHBondContact CG2-SD 3.42Å
158	Q	90.6	Very high	89.6	Confident	121 Å²	121	53.8 Å²	53.8	57%	0.565	29%	0.287	S	S	*	.			trans	-93.9	121.7	172.2	-71.6	-178.1	-29.1	0	0	109.7	M175 A176	Q158-M175 CarbonylContact O-C 3.6Å; Q158-M175 WeakPolarHBondContact O-CA 3.44Å; Q158-A176 HydrophobicContact CB-CB 3.73Å; Q158-A176 PolarHBondContact O-N 2.85Å
159	L	92.3	Very high	89.5	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	142.1	-178.8	-61	170	0	0	0	110.9	V133 V139 L154 I157 F173 M175	V133-L159 HydrophobicContact CG1-CB 3.25Å; V133-L159 HydrophobicContact CG1-CD1 3.45Å; V133-L159 VanDerWaalsContact CG1-CD1 3.45Å; V133-L159 HydrophobicContact CG1-CG 3.93Å; V139-L159 HydrophobicContact CG2-CD1 3.49Å; V139-L159 VanDerWaalsContact CG2-CD1 3.49Å; L154-L159 HydrophobicContact CD1-CD1 4.19Å; L154-L159 HydrophobicContact CD1-CD2 4.29Å; I157-L159 HydrophobicContact CG2-CD2 3.77Å; I157-L159 HydrophobicContact CG2-CG 4.1Å; L159-F173 HydrophobicContact CD2-CB 4.08Å; L159-M175 HydrophobicContact CD2-SD 3.64Å
160	S	92.1	Very high	89.5	Confident	20 Å²	20	49.3 Å²	49.3	14%	0.14	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	-42.4	-178.2	57	0	0	0	0	112.9	G174 M175	S160-G174 PolarHBondContact N-O 3.04Å; S160-G174 VanDerWaalsContact OG-C 3.31Å; S160-G174 PolarHBondContact OG-O 3.32Å; S160-G174 VanDerWaalsContact OG-O 3.09Å; S160-M175 PolarHBondContact OG-O 3.4Å
161	H	93.2	Very high	89.5	Confident	47 Å²	47	47.4 Å²	47.4	22%	0.218	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.8	-174.5	-73.1	-85.8	0	0	0	112.8	G174 I207 I210	H161-G174 PolarHBondContact N-O 2.95Å; H161-G174 PolarHBondContact O-N 3.39Å; H161-I207 PolarHBondContact NE2-O 3.42Å; H161-I210 HydrophobicContact CB-CD1 3.9Å; H161-I210 HydrophobicContact CB-CG1 4.21Å
162	V	94.9	Very high	89.6	Confident	7 Å²	7	46.1 Å²	46.1	4%	0.042	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141.6	168.5	64.7	0	0	0	0	111.5	S120 C131 V133 L171 L172 F173	S120-V162 PolarHBondContact OG-N 2.93Å; C131-V162 HydrophobicContact CB-CG2 4.11Å; V133-V162 HydrophobicContact CB-CB 4.36Å; V133-V162 HydrophobicContact CB-CG1 4.27Å; V133-V162 HydrophobicContact CG2-CB 3.65Å; V133-V162 HydrophobicContact CG2-CG1 3.85Å; V133-V162 HydrophobicContact CG2-CG2 4.03Å; V162-L171 HydrophobicContact CG2-CD2 3.99Å; V162-L172 WeakPolarHBondContact CA-O 3.37Å; V162-F173 HydrophobicContact CB-CD1 4.25Å; V162-F173 HydrophobicContact CB-CE1 4.49Å; V162-F173 HydrophobicContact CG2-CD1 3.77Å; V162-F173 HydrophobicContact CG2-CE1 3.64Å
163	T	93.7	Very high	89.7	Confident	9 Å²	9	42.3 Å²	42.3	6%	0.055	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	145.9	166.5	-164.3	0	0	0	0	110.8	L172 I210 W212	T163-L172 HydrophobicContact CG2-CB 3.87Å; T163-L172 HydrophobicContact CG2-CD1 3.78Å; T163-L172 HydrophobicContact CG2-CG 4.09Å; T163-L172 PolarHBondContact N-O 2.69Å; T163-L172 PolarHBondContact O-N 3.05Å; T163-I210 HydrophobicContact CG2-CB 4.39Å; T163-I210 HydrophobicContact CG2-CG2 3.55Å; T163-W212 HydrophobicContact CG2-CB 4.45Å
164	W	92.1	Very high	89.9	Confident	1 Å²	1	38.3 Å²	38.3	0%	0.004	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	149.1	169.9	-72.1	93.5	0	0	0	110.6	S122 N124 K129 C131 V141 L171 N185	S122-W164 VanDerWaalsContact O-CD1 3.29Å; S122-W164 PolarHBondContact O-NE1 3.47Å; N124-W164 HydrophobicContact CB-CD2 3.82Å; N124-W164 HydrophobicContact CB-CE3 4.26Å; N124-W164 HydrophobicContact CB-CG 3.96Å; K129-W164 HydrophobicContact CB-CZ2 4.21Å; K129-W164 HydrophobicContact CD-CH2 4.48Å; C131-W164 HydrophobicContact CB-CZ2 3.91Å; V141-W164 HydrophobicContact CG1-CH2 4.2Å; V141-W164 HydrophobicContact CG1-CZ2 4.05Å; V141-W164 HydrophobicContact CG2-CZ2 4.31Å; W164-L171 HydrophobicContact CD2-CD2 3.39Å; W164-L171 HydrophobicContact CD2-CG 4.06Å; W164-L171 VanDerWaalsContact CE2-CD2 3.5Å; W164-L171 HydrophobicContact CE3-CD1 4.49Å; W164-L171 HydrophobicContact CE3-CD2 3.69Å; W164-L171 HydrophobicContact CE3-CG 3.81Å; W164-L171 HydrophobicContact CG-CD2 3.82Å; W164-L171 HydrophobicContact CH2-CD1 3.85Å; W164-L171 HydrophobicContact CH2-CD2 4.14Å; W164-L171 HydrophobicContact CH2-CG 4.06Å; W164-L171 HydrophobicContact CZ2-CD1 4.16Å; W164-L171 HydrophobicContact CZ2-CD2 3.89Å; W164-L171 HydrophobicContact CZ2-CG 4.31Å; W164-L171 HydrophobicContact CZ3-CD1 4.04Å; W164-L171 HydrophobicContact CZ3-CD2 4.05Å; W164-L171 HydrophobicContact CZ3-CG 3.81Å; W164-N185 HydrophobicContact CZ3-CB 4.03Å
165	S	89.4	Confident	90.1	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	21%	0.211	C	C	.	.			trans	-65.8	153.6	162.8	60.8	0	0	0	0	111.3	D167 S168 K169 V170	S165-D167 WeakPolarHBondContact CB-OD1 3.46Å; S165-D167 PolarHBondContact O-N 3.34Å; S165-D167 PolarHBondContact OG-OD1 3.46Å; S165-S168 PolarHBondContact O-N 3.15Å; S165-S168 PolarHBondContact OG-N 2.64Å; S165-K169 PolarHBondContact OG-N 3.31Å; S165-K169 VanDerWaalsContact OG-N 3.14Å; S165-V170 VanDerWaalsContact CB-CG2 3.43Å; S165-V170 PolarHBondContact N-O 2.82Å; S165-V170 WeakPolarHBondContact OG-CG2 3.44Å; S165-V170 PolarHBondContact OG-N 2.82Å; S165-V170 PolarHBondContact OG-O 3.32Å
166	A	81.1	Confident	90.4	Very high	21 Å²	21	31.8 Å²	31.8	17%	0.174	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-35.8	176.6	0	0	0	0	0	112.9	A125 S168	A125-A166 WeakPolarHBondContact CB-O 3.44Å; A166-S168 VanDerWaalsContact C-N 3.33Å
167	D	83.6	Confident	90.8	Very high	83 Å²	83	32.2 Å²	32.2	44%	0.444	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	5.9	178.8	72.8	-13.7	0	0	0	114.2	S165 K169	S165-D167 WeakPolarHBondContact CB-OD1 3.46Å; S165-D167 PolarHBondContact O-N 3.34Å; S165-D167 PolarHBondContact OG-OD1 3.46Å; D167-K169 HydrophobicContact CB-CG 4.42Å; D167-K169 PolarHBondContact O-N 3.3Å; D167-K169 VanDerWaalsContact O-N 3.1Å; D167-K169 WeakPolarHBondContact OD1-CB 3.47Å; D167-K169 PolarHBondContact OD1-N 3.24Å; D167-K169 VanDerWaalsContact OD1-N 3.14Å; D167-K169 WeakPolarHBondContact OD2-CD 3.32Å; D167-K169 VanDerWaalsContact OD2-CE 3.27Å; D167-K169 WeakPolarHBondContact OD2-CE 3.31Å; D167-K169 VanDerWaalsContact OD2-CG 3.3Å; D167-K169 WeakPolarHBondContact OD2-CG 3.37Å; D167-K169 IonicContact OD2-NZ 2.74Å; D167-K169 PolarHBondContact OD2-NZ 2.72Å
168	S	87.9	Confident	90.8	Very high	17 Å²	17	30.3 Å²	30.3	12%	0.119	16%	0.164	C	C	.	.	S	Bend	trans	57.2	18.1	-177.7	-58.1	0	0	0	0	115.5	N124 A125 S165 A166	N124-S168 PolarHBondContact ND2-OG 3.39Å; A125-S168 PolarHBondContact N-OG 2.85Å; S165-S168 PolarHBondContact O-N 3.15Å; S165-S168 PolarHBondContact OG-N 2.64Å; A166-S168 VanDerWaalsContact C-N 3.33Å
169	K	89.1	Confident	90.9	Very high	130 Å²	130	27.3 Å²	27.3	57%	0.565	15%	0.15	S	C	*	.	S	Bend	trans	-87.8	-32.4	-179.9	-65.8	-169.7	-159.6	120.3	0	113.8	S165 D167 N185	S165-K169 PolarHBondContact OG-N 3.31Å; S165-K169 VanDerWaalsContact OG-N 3.14Å; D167-K169 HydrophobicContact CB-CG 4.42Å; D167-K169 PolarHBondContact O-N 3.3Å; D167-K169 VanDerWaalsContact O-N 3.1Å; D167-K169 WeakPolarHBondContact OD1-CB 3.47Å; D167-K169 PolarHBondContact OD1-N 3.24Å; D167-K169 VanDerWaalsContact OD1-N 3.14Å; D167-K169 WeakPolarHBondContact OD2-CD 3.32Å; D167-K169 VanDerWaalsContact OD2-CE 3.27Å; D167-K169 WeakPolarHBondContact OD2-CE 3.31Å; D167-K169 VanDerWaalsContact OD2-CG 3.3Å; D167-K169 WeakPolarHBondContact OD2-CG 3.37Å; D167-K169 IonicContact OD2-NZ 2.74Å; D167-K169 PolarHBondContact OD2-NZ 2.72Å; K169-N185 PolarHBondContact O-N 2.82Å
170	V	92.9	Very high	90.9	Very high	17 Å²	17	27.1 Å²	27.1	10%	0.103	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	157.4	-176.3	-58	0	0	0	0	112.4	S165 I182 Y183 I190 W212	S165-V170 VanDerWaalsContact CB-CG2 3.43Å; S165-V170 PolarHBondContact N-O 2.82Å; S165-V170 WeakPolarHBondContact OG-CG2 3.44Å; S165-V170 PolarHBondContact OG-N 2.82Å; S165-V170 PolarHBondContact OG-O 3.32Å; V170-I182 HydrophobicContact CB-CG2 4.1Å; V170-I182 HydrophobicContact CG1-CG2 4.42Å; V170-I182 HydrophobicContact CG2-CG2 4.4Å; V170-Y183 CarbonylContact C-O 3.42Å; V170-Y183 WeakPolarHBondContact CA-O 3.25Å; V170-Y183 WeakPolarHBondContact CB-O 2.81Å; V170-I190 HydrophobicContact CG1-CD1 3.8Å; V170-W212 HydrophobicContact CG2-CH2 4.36Å; V170-W212 HydrophobicContact CG2-CZ3 4.29Å
171	L	93.7	Very high	91	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.8	177.5	-81.9	165.7	0	0	0	109.1	C131 V141 W150 V162 W164 F173 I182 Y183	C131-L171 HydrophobicContact CB-CD2 3.94Å; V141-L171 HydrophobicContact CG2-CD1 4.28Å; W150-L171 HydrophobicContact CH2-CD1 4.28Å; W150-L171 HydrophobicContact CZ2-CD1 3.79Å; V162-L171 HydrophobicContact CG2-CD2 3.99Å; W164-L171 HydrophobicContact CD2-CD2 3.39Å; W164-L171 HydrophobicContact CD2-CG 4.06Å; W164-L171 VanDerWaalsContact CE2-CD2 3.5Å; W164-L171 HydrophobicContact CE3-CD1 4.49Å; W164-L171 HydrophobicContact CE3-CD2 3.69Å; W164-L171 HydrophobicContact CE3-CG 3.81Å; W164-L171 HydrophobicContact CG-CD2 3.82Å; W164-L171 HydrophobicContact CH2-CD1 3.85Å; W164-L171 HydrophobicContact CH2-CD2 4.14Å; W164-L171 HydrophobicContact CH2-CG 4.06Å; W164-L171 HydrophobicContact CZ2-CD1 4.16Å; W164-L171 HydrophobicContact CZ2-CD2 3.89Å; W164-L171 HydrophobicContact CZ2-CG 4.31Å; W164-L171 HydrophobicContact CZ3-CD1 4.04Å; W164-L171 HydrophobicContact CZ3-CD2 4.05Å; W164-L171 HydrophobicContact CZ3-CG 3.81Å; L171-F173 HydrophobicContact CB-CE1 4.17Å; L171-F173 HydrophobicContact CB-CZ 4.1Å; L171-F173 HydrophobicContact CD1-CE1 4.46Å; L171-F173 HydrophobicContact CD1-CZ 4.09Å; L171-I182 WeakPolarHBondContact O-CA 3.04Å; L171-Y183 PolarHBondContact N-O 2.85Å; L171-Y183 PolarHBondContact O-N 3.36Å
172	L	94.5	Very high	91.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	119.8	172.3	-56.7	-177	0	0	0	109	V162 T163 I180 I182 M193 I210 W212 L227	V162-L172 WeakPolarHBondContact CA-O 3.37Å; T163-L172 HydrophobicContact CG2-CB 3.87Å; T163-L172 HydrophobicContact CG2-CD1 3.78Å; T163-L172 HydrophobicContact CG2-CG 4.09Å; T163-L172 PolarHBondContact N-O 2.69Å; T163-L172 PolarHBondContact O-N 3.05Å; L172-I180 HydrophobicContact CB-CG2 4.24Å; L172-I182 HydrophobicContact CD2-CB 4.26Å; L172-I182 HydrophobicContact CD2-CD1 4.38Å; L172-I182 HydrophobicContact CD2-CG1 3.69Å; L172-I182 HydrophobicContact CD2-CG2 4.1Å; L172-M193 HydrophobicContact CD1-CE 4Å; L172-M193 HydrophobicContact CD2-CE 3.82Å; L172-I210 HydrophobicContact CD1-CG2 4.16Å; L172-W212 HydrophobicContact CD1-CE3 3.64Å; L172-W212 HydrophobicContact CD1-CZ3 3.63Å; L172-W212 HydrophobicContact CD2-CZ3 4.3Å; L172-W212 HydrophobicContact CG-CE3 4.22Å; L172-W212 HydrophobicContact CG-CZ3 3.94Å; L172-L227 HydrophobicContact CD1-CD1 3.76Å; L172-L227 HydrophobicContact CD1-CD2 3.88Å; L172-L227 HydrophobicContact CD1-CG 4.48Å
173	F	95.2	Very high	91.1	Very high	3 Å²	3	25.5 Å²	25.5	1%	0.013	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	114.4	171.5	-63.2	-35.1	0	0	0	109.9	V133 V139 W150 L154 L159 V162 L171 I180 H181 Y183	V133-F173 HydrophobicContact CG2-CD1 4.15Å; V133-F173 HydrophobicContact CG2-CE1 4.04Å; V139-F173 HydrophobicContact CG1-CE1 4.03Å; V139-F173 HydrophobicContact CG1-CZ 3.74Å; V139-F173 HydrophobicContact CG2-CE2 4.43Å; V139-F173 HydrophobicContact CG2-CZ 4.28Å; W150-F173 HydrophobicContact CH2-CZ 4.27Å; L154-F173 HydrophobicContact CD1-CD2 4.27Å; L159-F173 HydrophobicContact CD2-CB 4.08Å; V162-F173 HydrophobicContact CB-CD1 4.25Å; V162-F173 HydrophobicContact CB-CE1 4.49Å; V162-F173 HydrophobicContact CG2-CD1 3.77Å; V162-F173 HydrophobicContact CG2-CE1 3.64Å; L171-F173 HydrophobicContact CB-CE1 4.17Å; L171-F173 HydrophobicContact CB-CZ 4.1Å; L171-F173 HydrophobicContact CD1-CE1 4.46Å; L171-F173 HydrophobicContact CD1-CZ 4.09Å; F173-I180 WeakPolarHBondContact O-CA 3.37Å; F173-H181 PolarHBondContact N-O 3.12Å; F173-H181 PolarHBondContact O-N 3.43Å; F173-Y183 HydrophobicContact CD2-CD1 4.46Å; F173-Y183 AromaticContact CD2-CD2 3.19Å; F173-Y183 HydrophobicContact CD2-CD2 3.19Å; F173-Y183 AromaticContact CD2-CE2 3.34Å; F173-Y183 HydrophobicContact CD2-CE2 3.34Å; F173-Y183 AromaticContact CD2-CG 3.81Å; F173-Y183 HydrophobicContact CD2-CG 3.81Å; F173-Y183 HydrophobicContact CE2-CD1 4.05Å; F173-Y183 AromaticContact CE2-CD2 3.48Å; F173-Y183 HydrophobicContact CE2-CD2 3.48Å; F173-Y183 VanDerWaalsContact CE2-CD2 3.48Å; F173-Y183 HydrophobicContact CE2-CE1 4.42Å; F173-Y183 AromaticContact CE2-CE2 3.9Å; F173-Y183 HydrophobicContact CE2-CE2 3.9Å; F173-Y183 AromaticContact CE2-CG 3.56Å; F173-Y183 HydrophobicContact CE2-CG 3.56Å; F173-Y183 HydrophobicContact CG-CD2 4.17Å; F173-Y183 HydrophobicContact CG-CE2 4.38Å
174	G	94	Very high	91	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133.3	171	0	0	0	0	0	110.6	S160 H161	S160-G174 PolarHBondContact N-O 3.04Å; S160-G174 VanDerWaalsContact OG-C 3.31Å; S160-G174 PolarHBondContact OG-O 3.32Å; S160-G174 VanDerWaalsContact OG-O 3.09Å; H161-G174 PolarHBondContact N-O 2.95Å; H161-G174 PolarHBondContact O-N 3.39Å
175	M	92.3	Very high	90.9	Very high	9 Å²	9	29.2 Å²	29.2	4%	0.044	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	156	-175.5	-50.3	-82.2	-83.1	0	0	109.7	I157 Q158 L159 S160 N177 G178 E179	I157-M175 HydrophobicContact CB-CE 3.88Å; I157-M175 HydrophobicContact CD1-CE 3.87Å; I157-M175 HydrophobicContact CG1-CE 3.62Å; I157-M175 HydrophobicContact CG2-CE 3.11Å; I157-M175 HydrophobicContact CG2-SD 3.24Å; I157-M175 WeakPolarHBondContact CG2-SD 3.42Å; Q158-M175 CarbonylContact O-C 3.6Å; Q158-M175 WeakPolarHBondContact O-CA 3.44Å; L159-M175 HydrophobicContact CD2-SD 3.64Å; S160-M175 PolarHBondContact OG-O 3.4Å; M175-N177 WeakPolarHBondContact CB-OD1 3.32Å; M175-N177 PolarHBondContact O-N 3.14Å; M175-G178 PolarHBondContact O-N 2.89Å; M175-E179 HydrophobicContact CB-CB 4.37Å; M175-E179 VanDerWaalsContact CB-O 3.27Å; M175-E179 WeakPolarHBondContact CB-O 3.42Å; M175-E179 HydrophobicContact CG-CB 4.2Å; M175-E179 WeakPolarHBondContact CG-O 3.28Å; M175-E179 PolarHBondContact N-O 2.86Å
176	A	89.6	Confident	90.9	Very high	45 Å²	45	35.5 Å²	35.5	37%	0.372	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22	177.4	0	0	0	0	0	113.4	Q158 G178	Q158-A176 HydrophobicContact CB-CB 3.73Å; Q158-A176 PolarHBondContact O-N 2.85Å; A176-G178 VanDerWaalsContact C-N 3.27Å; A176-G178 PolarHBondContact O-N 2.82Å
177	N	87.5	Confident	91.2	Very high	97 Å²	97	34.6 Å²	34.6	52%	0.519	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83	3.2	177	70.1	-8.1	0	0	0	113.9	M175 E179	M175-N177 WeakPolarHBondContact CB-OD1 3.32Å; M175-N177 PolarHBondContact O-N 3.14Å; N177-E179 VanDerWaalsContact ND2-CD 3.3Å; N177-E179 PolarHBondContact ND2-OE2 2.95Å; N177-E179 WeakPolarHBondContact OD1-CB 3.5Å; N177-E179 WeakPolarHBondContact OD1-CG 3.49Å; N177-E179 PolarHBondContact OD1-N 3.22Å
178	G	87.8	Confident	91.5	Very high	5 Å²	5	34.5 Å²	34.5	5%	0.052	18%	0.18	C	C	.	.	S	Bend	trans	90.6	-6.1	-178.8	0	0	0	0	0	115.1	M175 A176 L195 F231	M175-G178 PolarHBondContact O-N 2.89Å; A176-G178 VanDerWaalsContact C-N 3.27Å; A176-G178 PolarHBondContact O-N 2.82Å; G178-L195 WeakPolarHBondContact O-CD1 3.46Å; G178-F231 WeakPolarHBondContact O-CE1 3.34Å
179	E	91.1	Very high	91.8	Very high	58 Å²	58	38.7 Å²	38.7	27%	0.271	20%	0.196	S	C	.	.			trans	-79.2	151.3	178	-61.4	179.4	148.5	0	0	112	M175 N177 K192	M175-E179 HydrophobicContact CB-CB 4.37Å; M175-E179 VanDerWaalsContact CB-O 3.27Å; M175-E179 WeakPolarHBondContact CB-O 3.42Å; M175-E179 HydrophobicContact CG-CB 4.2Å; M175-E179 WeakPolarHBondContact CG-O 3.28Å; M175-E179 PolarHBondContact N-O 2.86Å; N177-E179 VanDerWaalsContact ND2-CD 3.3Å; N177-E179 PolarHBondContact ND2-OE2 2.95Å; N177-E179 WeakPolarHBondContact OD1-CB 3.5Å; N177-E179 WeakPolarHBondContact OD1-CG 3.49Å; N177-E179 PolarHBondContact OD1-N 3.22Å; E179-K192 VanDerWaalsContact CD-NZ 3.26Å; E179-K192 WeakPolarHBondContact OE1-CE 3.44Å; E179-K192 IonicContact OE1-NZ 3.62Å; E179-K192 PolarHBondContact OE1-NZ 3.38Å
180	I	94.3	Very high	92	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.9	175.3	-59.9	174.3	0	0	0	109	L172 F173 M193 L195 I207 I210 V229	L172-I180 HydrophobicContact CB-CG2 4.24Å; F173-I180 WeakPolarHBondContact O-CA 3.37Å; I180-M193 HydrophobicContact CB-CB 4.09Å; I180-M193 HydrophobicContact CB-SD 4.31Å; I180-M193 HydrophobicContact CD1-SD 4.21Å; I180-M193 HydrophobicContact CG2-CB 4.25Å; I180-M193 HydrophobicContact CG2-CE 4.3Å; I180-M193 HydrophobicContact CG2-SD 4.09Å; I180-M193 PolarHBondContact O-N 2.92Å; I180-L195 HydrophobicContact CD1-CD2 4.37Å; I180-I207 HydrophobicContact CD1-CD1 4.32Å; I180-I207 HydrophobicContact CG1-CD1 3.83Å; I180-I210 HydrophobicContact CD1-CD1 3.7Å; I180-I210 HydrophobicContact CD1-CG1 4.17Å; I180-I210 HydrophobicContact CG1-CD1 4.01Å; I180-I210 HydrophobicContact CG2-CD1 4.48Å; I180-V229 HydrophobicContact CD1-CB 4.3Å; I180-V229 HydrophobicContact CD1-CG1 3.49Å; I180-V229 VanDerWaalsContact CD1-CG1 3.49Å; I180-V229 HydrophobicContact CD1-CG2 3.77Å
181	H	94.1	Very high	92	Very high	26 Å²	26	39.1 Å²	39.1	12%	0.12	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	137.3	178.8	-70.8	178.5	0	0	0	110.8	F173 Y183 F189	F173-H181 PolarHBondContact N-O 3.12Å; F173-H181 PolarHBondContact O-N 3.43Å; H181-Y183 HydrophobicContact CB-CD2 4.25Å; H181-Y183 HydrophobicContact CB-CE2 3.64Å; H181-F189 HydrophobicContact CB-CD2 4.25Å; H181-F189 HydrophobicContact CB-CE2 3.84Å; H181-F189 AromaticContact CG-CE2 3.71Å; H181-F189 AromaticContact ND1-CE2 3.9Å
182	I	94.7	Very high	92	Very high	2 Å²	2	44 Å²	44	1%	0.01	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	129.4	-178	-49.2	176.5	0	0	0	108.5	V170 L171 L172 I190 M191 M193 E242	V170-I182 HydrophobicContact CB-CG2 4.1Å; V170-I182 HydrophobicContact CG1-CG2 4.42Å; V170-I182 HydrophobicContact CG2-CG2 4.4Å; L171-I182 WeakPolarHBondContact O-CA 3.04Å; L172-I182 HydrophobicContact CD2-CB 4.26Å; L172-I182 HydrophobicContact CD2-CD1 4.38Å; L172-I182 HydrophobicContact CD2-CG1 3.69Å; L172-I182 HydrophobicContact CD2-CG2 4.1Å; I182-I190 HydrophobicContact CG2-CB 4.46Å; I182-I190 HydrophobicContact CG2-CD1 4.23Å; I182-I190 PolarHBondContact O-N 2.83Å; I182-M191 HydrophobicContact CB-CG 4.42Å; I182-M191 WeakPolarHBondContact CB-O 3.45Å; I182-M191 HydrophobicContact CD1-CG 3.84Å; I182-M191 HydrophobicContact CG1-CG 4.44Å; I182-M191 PolarHBondContact N-O 2.97Å; I182-M191 PolarHBondContact O-N 2.92Å; I182-M193 HydrophobicContact CD1-CB 4.4Å; I182-M193 HydrophobicContact CD1-CE 4.24Å; I182-M193 HydrophobicContact CG1-CE 4.48Å; I182-E242 HydrophobicContact CD1-CB 3.74Å; I182-E242 HydrophobicContact CD1-CG 3.87Å
183	Y	94.2	Very high	91.8	Very high	12 Å²	12	44.2 Å²	44.2	5%	0.047	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.6	178.3	-74.3	-104.7	0	0	0	110.7	L154 V170 L171 F173 H181 G187 N188 F189	L154-Y183 HydrophobicContact CD2-CE1 4.48Å; V170-Y183 CarbonylContact C-O 3.42Å; V170-Y183 WeakPolarHBondContact CA-O 3.25Å; V170-Y183 WeakPolarHBondContact CB-O 2.81Å; L171-Y183 PolarHBondContact N-O 2.85Å; L171-Y183 PolarHBondContact O-N 3.36Å; F173-Y183 HydrophobicContact CD2-CD1 4.46Å; F173-Y183 AromaticContact CD2-CD2 3.19Å; F173-Y183 HydrophobicContact CD2-CD2 3.19Å; F173-Y183 AromaticContact CD2-CE2 3.34Å; F173-Y183 HydrophobicContact CD2-CE2 3.34Å; F173-Y183 AromaticContact CD2-CG 3.81Å; F173-Y183 HydrophobicContact CD2-CG 3.81Å; F173-Y183 HydrophobicContact CE2-CD1 4.05Å; F173-Y183 AromaticContact CE2-CD2 3.48Å; F173-Y183 HydrophobicContact CE2-CD2 3.48Å; F173-Y183 VanDerWaalsContact CE2-CD2 3.48Å; F173-Y183 HydrophobicContact CE2-CE1 4.42Å; F173-Y183 AromaticContact CE2-CE2 3.9Å; F173-Y183 HydrophobicContact CE2-CE2 3.9Å; F173-Y183 AromaticContact CE2-CG 3.56Å; F173-Y183 HydrophobicContact CE2-CG 3.56Å; F173-Y183 HydrophobicContact CG-CD2 4.17Å; F173-Y183 HydrophobicContact CG-CE2 4.38Å; H181-Y183 HydrophobicContact CB-CD2 4.25Å; H181-Y183 HydrophobicContact CB-CE2 3.64Å; Y183-G187 WeakPolarHBondContact CD1-O 3.46Å; Y183-N188 CarbonylContact C-O 3.56Å; Y183-N188 WeakPolarHBondContact CA-O 3.45Å; Y183-N188 WeakPolarHBondContact CB-O 3.18Å; Y183-N188 VanDerWaalsContact CD1-C 3.42Å; Y183-N188 WeakPolarHBondContact CD1-O 3.43Å; Y183-F189 HydrophobicContact CD1-CB 4.18Å; Y183-F189 HydrophobicContact CD2-CD2 4.47Å; Y183-F189 HydrophobicContact CE1-CB 3.73Å; Y183-F189 HydrophobicContact CE1-CD2 4.34Å; Y183-F189 AromaticContact CE2-CD2 3.86Å; Y183-F189 HydrophobicContact CE2-CD2 3.86Å; Y183-F189 AromaticContact CZ-CD2 3.8Å
184	D	92.4	Very high	91.5	Very high	37 Å²	37	51.8 Å²	51.8	20%	0.198	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	169.8	168.2	71.8	9.8	0	0	0	111.2	Q186 G187 N188 I190	D184-Q186 PolarHBondContact O-N 3.14Å; D184-Q186 VanDerWaalsContact OD1-C 3.26Å; D184-Q186 VanDerWaalsContact OD1-CA 3.31Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.45Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.48Å; D184-Q186 PolarHBondContact OD1-N 3.16Å; D184-G187 PolarHBondContact O-N 2.95Å; D184-G187 PolarHBondContact OD1-N 3.38Å; D184-N188 PolarHBondContact N-O 3.29Å; D184-N188 PolarHBondContact OD1-N 2.79Å; D184-N188 WeakPolarHBondContact OD2-CB 3.44Å; D184-N188 PolarHBondContact OD2-ND2 3.29Å; D184-I190 HydrophobicContact CB-CD1 4.05Å; D184-I190 HydrophobicContact CB-CG1 4.41Å
185	N	89.3	Confident	91.2	Very high	51 Å²	51	53.4 Å²	53.4	27%	0.273	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-6.4	176.9	71.8	22.4	0	0	0	114.7	W150 W164 K169	W150-N185 PolarHBondContact NE1-O 2.64Å; W164-N185 HydrophobicContact CZ3-CB 4.03Å; K169-N185 PolarHBondContact O-N 2.82Å
186	Q	89	Confident	91	Very high	133 Å²	133	54.6 Å²	54.6	62%	0.621	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-5.1	177	-51.6	-170.2	-5	0	0	112.6	D184	D184-Q186 PolarHBondContact O-N 3.14Å; D184-Q186 VanDerWaalsContact OD1-C 3.26Å; D184-Q186 VanDerWaalsContact OD1-CA 3.31Å; D184-Q186 WeakPolarHBondContact OD1-CA 3.45Å; D184-Q186 WeakPolarHBondContact OD1-CB 3.48Å; D184-Q186 PolarHBondContact OD1-N 3.16Å
187	G	86.9	Confident	90.7	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.01	26%	0.259	C	S	.	.	S	Bend	trans	87.7	17.9	179.6	0	0	0	0	0	114.8	K152 Y183 D184	K152-G187 WeakPolarHBondContact CD-O 3.42Å; K152-G187 PolarHBondContact NZ-O 3.31Å; Y183-G187 WeakPolarHBondContact CD1-O 3.46Å; D184-G187 PolarHBondContact O-N 2.95Å; D184-G187 PolarHBondContact OD1-N 3.38Å
188	N	91.8	Very high	90.6	Very high	82 Å²	82	50.1 Å²	50.1	44%	0.439	24%	0.244	S	C	.	.			trans	-84.3	138.6	169.8	-54.9	-52.9	0	0	0	110.8	Y183 D184	Y183-N188 CarbonylContact C-O 3.56Å; Y183-N188 WeakPolarHBondContact CA-O 3.45Å; Y183-N188 WeakPolarHBondContact CB-O 3.18Å; Y183-N188 VanDerWaalsContact CD1-C 3.42Å; Y183-N188 WeakPolarHBondContact CD1-O 3.43Å; D184-N188 PolarHBondContact N-O 3.29Å; D184-N188 PolarHBondContact OD1-N 2.79Å; D184-N188 WeakPolarHBondContact OD2-CB 3.44Å; D184-N188 PolarHBondContact OD2-ND2 3.29Å
189	F	93.4	Very high	90.1	Very high	105 Å²	105	54.4 Å²	54.4	46%	0.461	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	129.5	178.4	174.9	-97.8	0	0	0	109.8	H181 Y183 M191	H181-F189 HydrophobicContact CB-CD2 4.25Å; H181-F189 HydrophobicContact CB-CE2 3.84Å; H181-F189 AromaticContact CG-CE2 3.71Å; H181-F189 AromaticContact ND1-CE2 3.9Å; Y183-F189 HydrophobicContact CD1-CB 4.18Å; Y183-F189 HydrophobicContact CD2-CD2 4.47Å; Y183-F189 HydrophobicContact CE1-CB 3.73Å; Y183-F189 HydrophobicContact CE1-CD2 4.34Å; Y183-F189 AromaticContact CE2-CD2 3.86Å; Y183-F189 HydrophobicContact CE2-CD2 3.86Å; Y183-F189 AromaticContact CZ-CD2 3.8Å; F189-M191 VanDerWaalsContact CZ-C 3.46Å
190	I	93.8	Very high	89.3	Confident	87 Å²	87	59.2 Å²	59.2	45%	0.446	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-64.7	177.9	-58.8	174.6	0	0	0	109.1	V170 I182 D184	V170-I190 HydrophobicContact CG1-CD1 3.8Å; I182-I190 HydrophobicContact CG2-CB 4.46Å; I182-I190 HydrophobicContact CG2-CD1 4.23Å; I182-I190 PolarHBondContact O-N 2.83Å; D184-I190 HydrophobicContact CB-CD1 4.05Å; D184-I190 HydrophobicContact CB-CG1 4.41Å
191	M	93.3	Very high	88.5	Confident	69 Å²	69	61.3 Å²	61.3	34%	0.34	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	170	-177.1	65.5	-171.6	-73.4	0	0	112.8	I182 F189 N243	I182-M191 HydrophobicContact CB-CG 4.42Å; I182-M191 WeakPolarHBondContact CB-O 3.45Å; I182-M191 HydrophobicContact CD1-CG 3.84Å; I182-M191 HydrophobicContact CG1-CG 4.44Å; I182-M191 PolarHBondContact N-O 2.97Å; I182-M191 PolarHBondContact O-N 2.92Å; F189-M191 VanDerWaalsContact CZ-C 3.46Å; M191-N243 WeakPolarHBondContact CE-OD1 3.28Å; M191-N243 PolarHBondContact SD-ND2 2.95Å; M191-N243 PolarHBondContact SD-OD1 3.22Å
192	K	91.8	Very high	87.3	Confident	102 Å²	102	66.7 Å²	66.7	44%	0.443	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.7	170.8	177.5	175.5	173.7	-175.5	0	110	E179	E179-K192 VanDerWaalsContact CD-NZ 3.26Å; E179-K192 WeakPolarHBondContact OE1-CE 3.44Å; E179-K192 IonicContact OE1-NZ 3.62Å; E179-K192 PolarHBondContact OE1-NZ 3.38Å
193	M	91.4	Very high	86.2	Confident	5 Å²	5	69.7 Å²	69.7	3%	0.025	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-70.9	140.3	179.4	-175.4	175	-79	0	0	111.5	L172 I180 I182 L227 V229 M239 E242	L172-M193 HydrophobicContact CD1-CE 4Å; L172-M193 HydrophobicContact CD2-CE 3.82Å; I180-M193 HydrophobicContact CB-CB 4.09Å; I180-M193 HydrophobicContact CB-SD 4.31Å; I180-M193 HydrophobicContact CD1-SD 4.21Å; I180-M193 HydrophobicContact CG2-CB 4.25Å; I180-M193 HydrophobicContact CG2-CE 4.3Å; I180-M193 HydrophobicContact CG2-SD 4.09Å; I180-M193 PolarHBondContact O-N 2.92Å; I182-M193 HydrophobicContact CD1-CB 4.4Å; I182-M193 HydrophobicContact CD1-CE 4.24Å; I182-M193 HydrophobicContact CG1-CE 4.48Å; M193-L227 HydrophobicContact CE-CD2 3.94Å; M193-V229 HydrophobicContact SD-CG2 4.37Å; M193-M239 HydrophobicContact CE-CE 4.16Å; M193-M239 HydrophobicContact SD-CE 3.58Å; M193-M239 VanDerWaalsContact SD-CE 3.58Å; M193-M239 HydrophobicContact SD-SD 4.2Å; M193-E242 HydrophobicContact CE-CB 4.04Å
194	K	88.9	Confident	85.5	Confident	162 Å²	162	74.4 Å²	74.4	70%	0.704	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-84.7	117.8	176.8	-172.7	-178.6	176.6	-173	0	110.5	Q237	K194-Q237 PolarHBondContact O-NE2 2.93Å
195	L	88.3	Confident	85.2	Confident	34 Å²	34	74 Å²	74	18%	0.178	42%	0.415	C	S	.	.			trans	-105.9	96.9	-179.4	-64.5	167.5	0	0	0	110.4	G178 I180 L198 V229 F231	G178-L195 WeakPolarHBondContact O-CD1 3.46Å; I180-L195 HydrophobicContact CD1-CD2 4.37Å; L195-L198 HydrophobicContact CB-CD1 4.29Å; L195-L198 HydrophobicContact CB-CG 4.44Å; L195-L198 HydrophobicContact CD1-CD1 4.11Å; L195-V229 HydrophobicContact CD2-CG1 4.27Å; L195-F231 HydrophobicContact CD1-CZ 3.74Å; L195-F231 HydrophobicContact CD2-CE2 4.25Å; L195-F231 HydrophobicContact CD2-CZ 4.05Å; L195-F231 HydrophobicContact CG-CZ 4.44Å
196	S	87.3	Confident	85.3	Confident	34 Å²	34	74.1 Å²	74.1	24%	0.238	42%	0.42	C	S	.	.	S	Bend	trans	-80	-23.9	178.9	-59.6	0	0	0	0	112.5	L198 V199	S196-L198 PolarHBondContact O-N 2.83Å; S196-V199 VanDerWaalsContact O-CG2 3.27Å; S196-V199 WeakPolarHBondContact O-CG2 3.31Å; S196-V199 PolarHBondContact O-N 2.98Å
197	C	84.1	Confident	85.5	Confident	8 Å²	8	68.3 Å²	68.3	5%	0.054	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-14.3	179.5	62.9	0	0	0	0	114.4	F231 R235 Q237 L249	C197-F231 VanDerWaalsContact SG-CE2 3.56Å; C197-R235 HydrophobicContact CB-CB 4.32Å; C197-R235 WeakPolarHBondContact O-CD 3.07Å; C197-Q237 HydrophobicContact CB-CB 4.02Å; C197-L249 HydrophobicContact CB-CD2 3.91Å
198	L	84.6	Confident	85.8	Confident	39 Å²	39	68.9 Å²	68.9	20%	0.204	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	4.5	-178	-61.4	-175.1	0	0	0	113.7	L195 S196 N200 V201 I205 F231 R235	L195-L198 HydrophobicContact CB-CD1 4.29Å; L195-L198 HydrophobicContact CB-CG 4.44Å; L195-L198 HydrophobicContact CD1-CD1 4.11Å; S196-L198 PolarHBondContact O-N 2.83Å; L198-N200 PolarHBondContact O-N 3.23Å; L198-V201 HydrophobicContact CD2-CG2 4.48Å; L198-V201 PolarHBondContact O-N 3.04Å; L198-I205 HydrophobicContact CD1-CD1 4.49Å; L198-I205 HydrophobicContact CD2-CD1 3.97Å; L198-I205 HydrophobicContact CD2-CG2 4.48Å; L198-F231 HydrophobicContact CD1-CD1 4.49Å; L198-F231 HydrophobicContact CD1-CE1 3.94Å; L198-F231 HydrophobicContact CD1-CE2 4.01Å; L198-F231 HydrophobicContact CD1-CZ 3.71Å; L198-F231 HydrophobicContact CD2-CD1 4.43Å; L198-F231 HydrophobicContact CD2-CD2 3.72Å; L198-F231 HydrophobicContact CD2-CE2 3.93Å; L198-F231 HydrophobicContact CD2-CG 4Å; L198-F231 HydrophobicContact CD2-CZ 4.38Å; L198-F231 HydrophobicContact CG-CD2 4.29Å; L198-F231 HydrophobicContact CG-CE2 3.98Å; L198-F231 HydrophobicContact CG-CZ 4.2Å; L198-R235 HydrophobicContact CD2-CB 4.3Å
199	V	77.9	Confident	85.8	Confident	96 Å²	96	65.3 Å²	65.3	58%	0.582	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	127.5	175.9	178.7	0	0	0	0	108.8	S196	S196-V199 VanDerWaalsContact O-CG2 3.27Å; S196-V199 WeakPolarHBondContact O-CG2 3.31Å; S196-V199 PolarHBondContact O-N 2.98Å
200	N	73.9	Confident	85.8	Confident	159 Å²	159	61 Å²	61	85%	0.85	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	16.8	-176.4	-51.8	-32.7	0	0	0	116.7	L198	L198-N200 PolarHBondContact O-N 3.23Å
201	V	78.1	Confident	85.8	Confident	43 Å²	43	59.3 Å²	59.3	26%	0.261	35%	0.352	S	S	.	.			trans	-92.7	127.7	172.2	-171.8	0	0	0	0	110.6	L198 I205 R235	L198-V201 HydrophobicContact CD2-CG2 4.48Å; L198-V201 PolarHBondContact O-N 3.04Å; V201-I205 HydrophobicContact CB-CD1 3.92Å; V201-I205 HydrophobicContact CG1-CD1 3.39Å; V201-I205 HydrophobicContact CG1-CG1 4.1Å; V201-R235 HydrophobicContact CG2-CG 4.32Å
202	T	67.8	Low	85.7	Confident	140 Å²	140	56.5 Å²	56.5	86%	0.859	34%	0.337	S	S	*	.			trans	-116.7	118.1	175.2	55.6	0	0	0	0	110.1
203	G	72.4	Confident	85.4	Confident	65 Å²	65	52.2 Å²	52.2	67%	0.67	32%	0.318	S	S	*	.	S	Bend	trans	150.7	174.3	178.3	0	0	0	0	0	112.8
204	A	78.8	Confident	84.5	Confident	110 Å²	110	54.8 Å²	54.8	91%	0.909	33%	0.33	S	S	*	.			trans	-74.5	126.2	166.2	0	0	0	0	0	108.4
205	I	87.1	Confident	83.5	Confident	29 Å²	29	47.8 Å²	47.8	15%	0.149	30%	0.304	C	S	.	.			trans	-125.5	133.3	-176.5	-50.5	170.1	0	0	0	107.1	L198 V201 F231 D232	L198-I205 HydrophobicContact CD1-CD1 4.49Å; L198-I205 HydrophobicContact CD2-CD1 3.97Å; L198-I205 HydrophobicContact CD2-CG2 4.48Å; V201-I205 HydrophobicContact CB-CD1 3.92Å; V201-I205 HydrophobicContact CG1-CD1 3.39Å; V201-I205 HydrophobicContact CG1-CG1 4.1Å; I205-F231 HydrophobicContact CG2-CB 3.71Å; I205-F231 HydrophobicContact CG2-CD1 3.55Å; I205-F231 HydrophobicContact CG2-CE1 4.5Å; I205-F231 HydrophobicContact CG2-CG 3.87Å; I205-D232 WeakPolarHBondContact CG2-OD1 3.44Å
206	S	90.3	Very high	82.4	Confident	54 Å²	54	50.6 Å²	50.6	38%	0.378	32%	0.323	S	S	.	.			trans	-113.9	151.9	172.8	70	0	0	0	0	111.3	A208 F231 D232	S206-A208 PolarHBondContact O-N 3.22Å; S206-F231 WeakPolarHBondContact O-CA 3.42Å; S206-D232 WeakPolarHBondContact CB-OD2 3.28Å; S206-D232 PolarHBondContact N-OD1 3.37Å; S206-D232 PolarHBondContact N-OD2 2.86Å; S206-D232 PolarHBondContact O-N 3.4Å; S206-D232 VanDerWaalsContact OG-CG 3.26Å; S206-D232 PolarHBondContact OG-OD2 3.24Å
207	I	94	Very high	81.2	Confident	11 Å²	11	53.9 Å²	53.9	6%	0.056	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	123.4	175.5	-59	171.4	0	0	0	107.2	H161 I180 I210 F231	H161-I207 PolarHBondContact NE2-O 3.42Å; I180-I207 HydrophobicContact CD1-CD1 4.32Å; I180-I207 HydrophobicContact CG1-CD1 3.83Å; I207-I210 HydrophobicContact CD1-CD1 4.39Å; I207-I210 HydrophobicContact CG2-CD1 4.25Å; I207-I210 HydrophobicContact CG2-CG1 3.74Å; I207-F231 HydrophobicContact CG1-CD1 4.15Å; I207-F231 HydrophobicContact CG1-CE1 3.75Å
208	A	92.3	Very high	79.9	Confident	13 Å²	13	54 Å²	54	11%	0.107	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-31.1	174.9	0	0	0	0	0	111.5	S206 C230 V256	S206-A208 PolarHBondContact O-N 3.22Å; A208-C230 PolarHBondContact N-O 3.23Å; A208-V256 HydrophobicContact CB-CB 4Å; A208-V256 HydrophobicContact CB-CG1 3.77Å; A208-V256 WeakPolarHBondContact CB-O 3.36Å
209	G	92.2	Very high	78.5	Confident	6 Å²	6	56.7 Å²	56.7	6%	0.062	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.1	155.2	170.3	0	0	0	0	0	114.2	C230 I259	G209-C230 PolarHBondContact N-O 3.02Å; G209-C230 VanDerWaalsContact N-O 3.16Å; G209-C230 PolarHBondContact O-N 3.23Å; G209-I259 WeakPolarHBondContact O-CD1 3.2Å
210	I	94.6	Very high	77.7	Confident	14 Å²	14	54.4 Å²	54.4	7%	0.072	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.6	171.7	-51.9	174.3	0	0	0	106.3	H161 T163 L172 I180 I207 L227 A228 V229	H161-I210 HydrophobicContact CB-CD1 3.9Å; H161-I210 HydrophobicContact CB-CG1 4.21Å; T163-I210 HydrophobicContact CG2-CB 4.39Å; T163-I210 HydrophobicContact CG2-CG2 3.55Å; L172-I210 HydrophobicContact CD1-CG2 4.16Å; I180-I210 HydrophobicContact CD1-CD1 3.7Å; I180-I210 HydrophobicContact CD1-CG1 4.17Å; I180-I210 HydrophobicContact CG1-CD1 4.01Å; I180-I210 HydrophobicContact CG2-CD1 4.48Å; I207-I210 HydrophobicContact CD1-CD1 4.39Å; I207-I210 HydrophobicContact CG2-CD1 4.25Å; I207-I210 HydrophobicContact CG2-CG1 3.74Å; I210-L227 HydrophobicContact CG2-CD1 4.12Å; I210-A228 WeakPolarHBondContact CA-O 3.48Å; I210-V229 HydrophobicContact CG2-CG2 4.25Å
211	H	92.6	Very high	77.2	Confident	52 Å²	52	51 Å²	51	24%	0.241	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.3	179.1	-159.6	-88.5	0	0	0	110.7	A228 Q260 W261	H211-A228 PolarHBondContact N-O 3.45Å; H211-A228 PolarHBondContact O-N 2.89Å; H211-Q260 WeakPolarHBondContact NE2-CG 3.29Å; H211-W261 AromaticContact ND1-CD1 3.36Å; H211-W261 AromaticContact ND1-CG 3.79Å; H211-W261 PolarHBondContact ND1-N 3.43Å; H211-W261 PolarHBondContact O-NE1 3.38Å
212	W	90.8	Very high	76.5	Confident	11 Å²	11	53.6 Å²	53.6	4%	0.042	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.1	178	-154.8	-30.7	0	0	0	109.9	T163 V170 L172 H214 C226 L227 E242	T163-W212 HydrophobicContact CG2-CB 4.45Å; V170-W212 HydrophobicContact CG2-CH2 4.36Å; V170-W212 HydrophobicContact CG2-CZ3 4.29Å; L172-W212 HydrophobicContact CD1-CE3 3.64Å; L172-W212 HydrophobicContact CD1-CZ3 3.63Å; L172-W212 HydrophobicContact CD2-CZ3 4.3Å; L172-W212 HydrophobicContact CG-CE3 4.22Å; L172-W212 HydrophobicContact CG-CZ3 3.94Å; W212-H214 PolarHBondContact O-CE1 2.99Å; W212-H214 PolarHBondContact O-N 3.38Å; W212-H214 PolarHBondContact O-ND1 3.19Å; W212-C226 PolarHBondContact NE1-SG 2.91Å; W212-L227 HydrophobicContact CB-CD1 4Å; W212-L227 HydrophobicContact CD2-CB 4.12Å; W212-L227 HydrophobicContact CD2-CD1 3.87Å; W212-L227 HydrophobicContact CD2-CD2 4.26Å; W212-L227 HydrophobicContact CD2-CG 4.3Å; W212-L227 HydrophobicContact CE3-CD1 3.85Å; W212-L227 HydrophobicContact CE3-CD2 4.06Å; W212-L227 HydrophobicContact CE3-CG 4.43Å; W212-L227 HydrophobicContact CG-CB 4.19Å; W212-L227 HydrophobicContact CG-CD1 3.98Å; W212-L227 HydrophobicContact CH2-CD2 4.19Å; W212-L227 HydrophobicContact CZ2-CD2 4.36Å; W212-L227 HydrophobicContact CZ3-CD2 4.04Å; W212-E242 HydrophobicContact CH2-CB 4.06Å; W212-E242 WeakPolarHBondContact CH2-OE2 3.46Å
213	Y	87.1	Confident	76.7	Confident	11 Å²	11	51.7 Å²	51.7	4%	0.043	31%	0.312	C	S	.	.			trans	-69.5	127.2	172.9	176.9	-117.2	0	0	0	111.2	G215 E217 G218 Y219 C226 H263	Y213-G215 VanDerWaalsContact C-N 3.32Å; Y213-G215 VanDerWaalsContact CE1-CA 3.48Å; Y213-G215 PolarHBondContact O-N 3.36Å; Y213-E217 PolarHBondContact OH-N 2.99Å; Y213-G218 PolarHBondContact OH-O 2.88Å; Y213-Y219 HydrophobicContact CD1-CD1 4.37Å; Y213-Y219 HydrophobicContact CD1-CE1 4.37Å; Y213-Y219 HydrophobicContact CE1-CD1 4.33Å; Y213-C226 PolarHBondContact N-O 3.38Å; Y213-H263 WeakPolarHBondContact CE2-O 3.42Å; Y213-H263 PolarHBondContact OH-O 3.05Å
214	H	71.4	Confident	77	Confident	60 Å²	60	48.9 Å²	48.9	28%	0.278	28%	0.283	S	S	.	.			trans	-78.9	-7.7	-171	-65.2	8.2	0	0	0	114.6	W212 T216	W212-H214 PolarHBondContact O-CE1 2.99Å; W212-H214 PolarHBondContact O-N 3.38Å; W212-H214 PolarHBondContact O-ND1 3.19Å; H214-T216 HydrophobicContact CB-CG2 4.38Å; H214-T216 PolarHBondContact O-N 2.89Å
215	G	68.6	Low	77.4	Confident	15 Å²	15	43.7 Å²	43.7	16%	0.155	24%	0.24	C	C	.	.			trans	73.6	2.6	175.5	0	0	0	0	0	116.1	Y213 E217 G218	Y213-G215 VanDerWaalsContact C-N 3.32Å; Y213-G215 VanDerWaalsContact CE1-CA 3.48Å; Y213-G215 PolarHBondContact O-N 3.36Å; G215-E217 VanDerWaalsContact C-N 3.3Å; G215-E217 PolarHBondContact O-N 3Å; G215-G218 PolarHBondContact O-N 2.85Å; G215-G218 VanDerWaalsContact O-N 3.13Å
216	T	64.2	Low	77.5	Confident	92 Å²	92	42.6 Å²	42.6	56%	0.564	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-27	-173	48.5	0	0	0	0	114.6	H214 G218	H214-T216 HydrophobicContact CB-CG2 4.38Å; H214-T216 PolarHBondContact O-N 2.89Å; T216-G218 VanDerWaalsContact C-N 3.33Å
217	E	62.2	Low	77.6	Confident	104 Å²	104	40 Å²	40	49%	0.486	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	19.1	177.8	-59.8	-63.7	158	0	0	112.4	K24 Y213 G215	K24-E217 VanDerWaalsContact NZ-CG 3.28Å; K24-E217 IonicContact NZ-OE1 3.54Å; K24-E217 PolarHBondContact NZ-OE1 2.95Å; Y213-E217 PolarHBondContact OH-N 2.99Å; G215-E217 VanDerWaalsContact C-N 3.3Å; G215-E217 PolarHBondContact O-N 3Å
218	G	56.4	Low	77.6	Confident	11 Å²	11	39.5 Å²	39.5	11%	0.113	21%	0.214	C	C	.	.			trans	79.1	152	-174.1	0	0	0	0	0	112.4	Y213 G215 T216	Y213-G218 PolarHBondContact OH-O 2.88Å; G215-G218 PolarHBondContact O-N 2.85Å; G215-G218 VanDerWaalsContact O-N 3.13Å; T216-G218 VanDerWaalsContact C-N 3.33Å
219	Y	56.9	Low	77.7	Confident	95 Å²	95	38.9 Å²	38.9	37%	0.373	21%	0.209	S	C	.	.			trans	-79.2	154.4	171.8	-63.7	-71.4	0	0	0	110.5	Y213 E221 C224 C226	Y213-Y219 HydrophobicContact CD1-CD1 4.37Å; Y213-Y219 HydrophobicContact CD1-CE1 4.37Å; Y213-Y219 HydrophobicContact CE1-CD1 4.33Å; Y219-E221 WeakPolarHBondContact CB-O 3.33Å; Y219-E221 PolarHBondContact O-N 3.26Å; Y219-C224 WeakPolarHBondContact CD1-SG 3.42Å; Y219-C226 HydrophobicContact CE1-CB 4.31Å
220	V	59.4	Low	77.9	Confident	48 Å²	48	38.6 Å²	38.6	29%	0.291	21%	0.206	S	C	.	.	S	Bend	trans	-59.2	-38.9	166.9	-178.5	0	0	0	0	109.6
221	E	64.4	Low	77.9	Confident	86 Å²	86	38 Å²	38	40%	0.402	20%	0.203	S	C	.	.	S	Bend	trans	-147.7	150.2	172.2	-66	-174	166.4	0	0	110	Y219 D223 C224	Y219-E221 WeakPolarHBondContact CB-O 3.33Å; Y219-E221 PolarHBondContact O-N 3.26Å; E221-D223 PolarHBondContact O-N 2.84Å; E221-C224 WeakPolarHBondContact O-CB 3.37Å; E221-C224 PolarHBondContact O-N 3.08Å; E221-C224 PolarHBondContact O-SG 3.25Å
222	P	62.4	Low	77.9	Confident	98 Å²	98	37.5 Å²	37.5	64%	0.636	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-19.7	-175.5	-25.9	32.8	0	0	0	116.7	P354	P222-P354 HydrophobicContact CG-CB 3.56Å
223	D	71.8	Confident	77.8	Confident	100 Å²	100	39 Å²	39	54%	0.535	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.9	22.7	-179.9	-168.7	47.7	0	0	0	112.7	E221 R240	E221-D223 PolarHBondContact O-N 2.84Å; D223-R240 VanDerWaalsContact CG-NE 3.29Å; D223-R240 PolarHBondContact O-NE 3.19Å; D223-R240 VanDerWaalsContact OD1-CD 3.24Å; D223-R240 WeakPolarHBondContact OD1-CD 3.32Å; D223-R240 IonicContact OD1-NE 3.73Å; D223-R240 PolarHBondContact OD1-NE 2.88Å; D223-R240 IonicContact OD2-CZ 3.4Å; D223-R240 IonicContact OD2-NE 2.64Å; D223-R240 PolarHBondContact OD2-NE 2.94Å; D223-R240 IonicContact OD2-NH2 3.51Å; D223-R240 PolarHBondContact OD2-NH2 2.98Å
224	C	79.5	Confident	77.9	Confident	7 Å²	7	38.5 Å²	38.5	5%	0.047	21%	0.209	C	C	.	.			trans	-72.6	136.2	-175.7	77	0	0	0	0	112.1	Y219 E221 C226 P291 F292	Y219-C224 WeakPolarHBondContact CD1-SG 3.42Å; E221-C224 WeakPolarHBondContact O-CB 3.37Å; E221-C224 PolarHBondContact O-N 3.08Å; E221-C224 PolarHBondContact O-SG 3.25Å; C224-C226 PolarHBondContact O-N 3.15Å; C224-P291 HydrophobicContact CB-CB 4.45Å; C224-F292 HydrophobicContact CB-CZ 4.32Å
225	P	86.9	Confident	78.9	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	21%	0.21	C	C	.	.			trans	-59.3	128.5	171.2	-24	34.4	0	0	0	112.2	I238 M239 R240 V248 P291 F292	P225-I238 HydrophobicContact CB-CB 4.41Å; P225-I238 HydrophobicContact CB-CG2 3.53Å; P225-M239 CarbonylContact C-O 3.53Å; P225-M239 WeakPolarHBondContact CA-O 3.24Å; P225-R240 HydrophobicContact CB-CG 4.38Å; P225-R240 HydrophobicContact CG-CG 4.07Å; P225-V248 HydrophobicContact CG-CG2 4.29Å; P225-P291 WeakPolarHBondContact CB-O 3.29Å; P225-F292 HydrophobicContact CG-CD1 4.43Å
226	C	89.2	Confident	80.2	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.041	20%	0.203	C	C	.	.			trans	-128.4	-12.7	-170.8	65.6	0	0	0	0	114.3	W212 Y213 Y219 C224 M239 R240 W261	W212-C226 PolarHBondContact NE1-SG 2.91Å; Y213-C226 PolarHBondContact N-O 3.38Å; Y219-C226 HydrophobicContact CE1-CB 4.31Å; C224-C226 PolarHBondContact O-N 3.15Å; C226-M239 PolarHBondContact N-O 2.64Å; C226-R240 PolarHBondContact SG-O 3.04Å; C226-W261 PolarHBondContact O-NE1 3.5Å
227	L	92.6	Very high	81.6	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	114.8	178.5	172.7	58.2	0	0	0	109.5	L172 M193 I210 W212 I238 M239	L172-L227 HydrophobicContact CD1-CD1 3.76Å; L172-L227 HydrophobicContact CD1-CD2 3.88Å; L172-L227 HydrophobicContact CD1-CG 4.48Å; M193-L227 HydrophobicContact CE-CD2 3.94Å; I210-L227 HydrophobicContact CG2-CD1 4.12Å; W212-L227 HydrophobicContact CB-CD1 4Å; W212-L227 HydrophobicContact CD2-CB 4.12Å; W212-L227 HydrophobicContact CD2-CD1 3.87Å; W212-L227 HydrophobicContact CD2-CD2 4.26Å; W212-L227 HydrophobicContact CD2-CG 4.3Å; W212-L227 HydrophobicContact CE3-CD1 3.85Å; W212-L227 HydrophobicContact CE3-CD2 4.06Å; W212-L227 HydrophobicContact CE3-CG 4.43Å; W212-L227 HydrophobicContact CG-CB 4.19Å; W212-L227 HydrophobicContact CG-CD1 3.98Å; W212-L227 HydrophobicContact CH2-CD2 4.19Å; W212-L227 HydrophobicContact CZ2-CD2 4.36Å; W212-L227 HydrophobicContact CZ3-CD2 4.04Å; L227-I238 CarbonylContact O-C 3.54Å; L227-I238 WeakPolarHBondContact O-CA 3.34Å; L227-M239 HydrophobicContact CB-CB 4.29Å; L227-M239 HydrophobicContact CD2-CE 3.7Å; L227-M239 HydrophobicContact CG-CE 3.81Å; L227-M239 PolarHBondContact N-O 3.4Å; L227-M239 PolarHBondContact O-N 3.09Å
228	A	94.6	Very high	83.1	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	131.4	177	0	0	0	0	0	110.9	I210 H211 I238 I259 W261 L268	I210-A228 WeakPolarHBondContact CA-O 3.48Å; H211-A228 PolarHBondContact N-O 3.45Å; H211-A228 PolarHBondContact O-N 2.89Å; A228-I238 HydrophobicContact CB-CG1 4.44Å; A228-I259 HydrophobicContact CB-CD1 3.92Å; A228-W261 HydrophobicContact CB-CZ2 4.04Å; A228-L268 HydrophobicContact CB-CD1 4.01Å; A228-L268 HydrophobicContact CB-CD2 3.83Å
229	V	95.1	Very high	84.8	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	121.8	172.2	177.1	0	0	0	0	107.9	I180 M193 L195 I210 F231 C236 Q237 M239	I180-V229 HydrophobicContact CD1-CB 4.3Å; I180-V229 HydrophobicContact CD1-CG1 3.49Å; I180-V229 VanDerWaalsContact CD1-CG1 3.49Å; I180-V229 HydrophobicContact CD1-CG2 3.77Å; M193-V229 HydrophobicContact SD-CG2 4.37Å; L195-V229 HydrophobicContact CD2-CG1 4.27Å; I210-V229 HydrophobicContact CG2-CG2 4.25Å; V229-F231 HydrophobicContact CG1-CE2 3.83Å; V229-F231 HydrophobicContact CG1-CZ 3.93Å; V229-C236 CarbonylContact O-C 3.58Å; V229-C236 WeakPolarHBondContact O-CA 3.27Å; V229-C236 PolarHBondContact O-SG 3.12Å; V229-Q237 PolarHBondContact N-O 3.19Å; V229-Q237 PolarHBondContact O-N 3.36Å; V229-M239 HydrophobicContact CG2-CE 3.75Å
230	C	95.1	Very high	86.3	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	140.5	178	-167.5	0	0	0	0	111.5	A208 G209 C236 I259	A208-C230 PolarHBondContact N-O 3.23Å; G209-C230 PolarHBondContact N-O 3.02Å; G209-C230 VanDerWaalsContact N-O 3.16Å; G209-C230 PolarHBondContact O-N 3.23Å; C230-C236 HydrophobicContact CB-CB 4.06Å; C230-I259 HydrophobicContact CB-CD1 3.83Å; C230-I259 HydrophobicContact CB-CG1 4.39Å; C230-I259 HydrophobicContact CB-CG2 3.53Å
231	F	94.3	Very high	87.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	157.2	178.8	-63.9	-84.3	0	0	0	110.9	G178 L195 C197 L198 I205 S206 I207 V229 N233 G234 R235	G178-F231 WeakPolarHBondContact O-CE1 3.34Å; L195-F231 HydrophobicContact CD1-CZ 3.74Å; L195-F231 HydrophobicContact CD2-CE2 4.25Å; L195-F231 HydrophobicContact CD2-CZ 4.05Å; L195-F231 HydrophobicContact CG-CZ 4.44Å; C197-F231 VanDerWaalsContact SG-CE2 3.56Å; L198-F231 HydrophobicContact CD1-CD1 4.49Å; L198-F231 HydrophobicContact CD1-CE1 3.94Å; L198-F231 HydrophobicContact CD1-CE2 4.01Å; L198-F231 HydrophobicContact CD1-CZ 3.71Å; L198-F231 HydrophobicContact CD2-CD1 4.43Å; L198-F231 HydrophobicContact CD2-CD2 3.72Å; L198-F231 HydrophobicContact CD2-CE2 3.93Å; L198-F231 HydrophobicContact CD2-CG 4Å; L198-F231 HydrophobicContact CD2-CZ 4.38Å; L198-F231 HydrophobicContact CG-CD2 4.29Å; L198-F231 HydrophobicContact CG-CE2 3.98Å; L198-F231 HydrophobicContact CG-CZ 4.2Å; I205-F231 HydrophobicContact CG2-CB 3.71Å; I205-F231 HydrophobicContact CG2-CD1 3.55Å; I205-F231 HydrophobicContact CG2-CE1 4.5Å; I205-F231 HydrophobicContact CG2-CG 3.87Å; S206-F231 WeakPolarHBondContact O-CA 3.42Å; I207-F231 HydrophobicContact CG1-CD1 4.15Å; I207-F231 HydrophobicContact CG1-CE1 3.75Å; V229-F231 HydrophobicContact CG1-CE2 3.83Å; V229-F231 HydrophobicContact CG1-CZ 3.93Å; F231-N233 WeakPolarHBondContact CB-OD1 3.38Å; F231-N233 PolarHBondContact O-N 3.44Å; F231-N233 VanDerWaalsContact O-N 3.13Å; F231-G234 PolarHBondContact O-N 3.12Å; F231-R235 HydrophobicContact CD2-CB 4.43Å; F231-R235 PolarHBondContact N-O 3.3Å
232	D	92.1	Very high	88.5	Confident	42 Å²	42	28 Å²	28	23%	0.225	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-29.3	179.2	57.8	3.2	0	0	0	114.1	I205 S206 G234 Y255 V256	I205-D232 WeakPolarHBondContact CG2-OD1 3.44Å; S206-D232 WeakPolarHBondContact CB-OD2 3.28Å; S206-D232 PolarHBondContact N-OD1 3.37Å; S206-D232 PolarHBondContact N-OD2 2.86Å; S206-D232 PolarHBondContact O-N 3.4Å; S206-D232 VanDerWaalsContact OG-CG 3.26Å; S206-D232 PolarHBondContact OG-OD2 3.24Å; D232-G234 VanDerWaalsContact C-N 3.27Å; D232-G234 PolarHBondContact O-N 3.19Å; D232-Y255 CarbonylContact O-C 3.59Å; D232-Y255 WeakPolarHBondContact O-CA 3.45Å; D232-V256 PolarHBondContact O-N 3.44Å
233	N	90.3	Very high	89.6	Confident	44 Å²	44	27 Å²	27	24%	0.235	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	0.5	178.9	68.2	7.9	0	0	0	114.8	F231 R235 M254	F231-N233 WeakPolarHBondContact CB-OD1 3.38Å; F231-N233 PolarHBondContact O-N 3.44Å; F231-N233 VanDerWaalsContact O-N 3.13Å; N233-R235 VanDerWaalsContact OD1-CB 3.29Å; N233-R235 WeakPolarHBondContact OD1-CB 3.42Å; N233-R235 WeakPolarHBondContact OD1-CG 3.34Å; N233-R235 PolarHBondContact OD1-N 3.2Å; N233-M254 CarbonylContact C-O 3.6Å
234	G	89.2	Confident	90.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	89.9	-1.2	179.1	0	0	0	0	0	115.7	F231 D232 C236 T252 M254	F231-G234 PolarHBondContact O-N 3.12Å; D232-G234 VanDerWaalsContact C-N 3.27Å; D232-G234 PolarHBondContact O-N 3.19Å; G234-C236 PolarHBondContact O-N 3.44Å; G234-T252 WeakPolarHBondContact CA-OG1 3.17Å; G234-T252 PolarHBondContact O-N 3.07Å; G234-T252 VanDerWaalsContact O-N 3.12Å; G234-T252 PolarHBondContact O-OG1 2.94Å; G234-T252 VanDerWaalsContact O-OG1 3.09Å; G234-M254 VanDerWaalsContact CA-O 3.28Å; G234-M254 WeakPolarHBondContact CA-O 3.5Å; G234-M254 PolarHBondContact N-O 3.28Å
235	R	92.8	Very high	90.5	Very high	81 Å²	81	31 Å²	31	31%	0.306	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	125	169.1	-66	-62.9	-162.6	-156.8	-7.1	109.6	C197 L198 V201 F231 N233 D251	C197-R235 HydrophobicContact CB-CB 4.32Å; C197-R235 WeakPolarHBondContact O-CD 3.07Å; L198-R235 HydrophobicContact CD2-CB 4.3Å; V201-R235 HydrophobicContact CG2-CG 4.32Å; F231-R235 HydrophobicContact CD2-CB 4.43Å; F231-R235 PolarHBondContact N-O 3.3Å; N233-R235 VanDerWaalsContact OD1-CB 3.29Å; N233-R235 WeakPolarHBondContact OD1-CB 3.42Å; N233-R235 WeakPolarHBondContact OD1-CG 3.34Å; N233-R235 PolarHBondContact OD1-N 3.2Å; R235-D251 IonicContact CZ-OD2 3.16Å; R235-D251 IonicContact NH1-OD2 3.68Å; R235-D251 PolarHBondContact NH1-OD2 3.37Å; R235-D251 IonicContact NH2-OD2 3.48Å
236	C	94	Very high	90.6	Very high	1 Å²	1	37 Å²	37	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.8	176.8	-176	0	0	0	0	110.5	V229 C230 G234 I250	V229-C236 CarbonylContact O-C 3.58Å; V229-C236 WeakPolarHBondContact O-CA 3.27Å; V229-C236 PolarHBondContact O-SG 3.12Å; C230-C236 HydrophobicContact CB-CB 4.06Å; G234-C236 PolarHBondContact O-N 3.44Å; C236-I250 HydrophobicContact CB-CB 4.13Å; C236-I250 PolarHBondContact N-O 3.46Å; C236-I250 PolarHBondContact O-N 2.9Å
237	Q	94.5	Very high	90.7	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.8	175.9	-173.9	169.8	-50.6	0	0	108.5	K194 C197 V229 M239 P247 V248 L249	K194-Q237 PolarHBondContact O-NE2 2.93Å; C197-Q237 HydrophobicContact CB-CB 4.02Å; V229-Q237 PolarHBondContact N-O 3.19Å; V229-Q237 PolarHBondContact O-N 3.36Å; Q237-M239 HydrophobicContact CG-CG 4.05Å; Q237-M239 HydrophobicContact CG-SD 4.24Å; Q237-M239 PolarHBondContact NE2-SD 2.93Å; Q237-P247 HydrophobicContact CG-CB 3.63Å; Q237-P247 HydrophobicContact CG-CG 4.16Å; Q237-V248 WeakPolarHBondContact CA-O 3.43Å; Q237-L249 HydrophobicContact CB-CD2 4.34Å; Q237-L249 HydrophobicContact CG-CD2 3.96Å
238	I	94.3	Very high	90.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	132.1	174.2	-45	-178.2	0	0	0	109.1	P225 L227 A228 P247 V248 I250 W261 L268	P225-I238 HydrophobicContact CB-CB 4.41Å; P225-I238 HydrophobicContact CB-CG2 3.53Å; L227-I238 CarbonylContact O-C 3.54Å; L227-I238 WeakPolarHBondContact O-CA 3.34Å; A228-I238 HydrophobicContact CB-CG1 4.44Å; I238-P247 CarbonylContact O-C 3.51Å; I238-P247 WeakPolarHBondContact O-CA 3.24Å; I238-V248 HydrophobicContact CB-CB 4.2Å; I238-V248 PolarHBondContact N-O 3.48Å; I238-V248 PolarHBondContact O-N 3.19Å; I238-I250 HydrophobicContact CD1-CD1 3.5Å; I238-I250 HydrophobicContact CG1-CD1 4.1Å; I238-W261 HydrophobicContact CD1-CH2 4.27Å; I238-W261 HydrophobicContact CD1-CZ2 4.26Å; I238-W261 HydrophobicContact CG2-CH2 4.32Å; I238-W261 HydrophobicContact CG2-CZ2 3.76Å; I238-L268 HydrophobicContact CD1-CD2 3.8Å; I238-L268 HydrophobicContact CG1-CD2 4.33Å
239	M	92.1	Very high	90.7	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	150	-171.3	-67.3	173	-69.4	0	0	110.9	M193 P225 C226 L227 V229 Q237 H241 D244 P247	M193-M239 HydrophobicContact CE-CE 4.16Å; M193-M239 HydrophobicContact SD-CE 3.58Å; M193-M239 VanDerWaalsContact SD-CE 3.58Å; M193-M239 HydrophobicContact SD-SD 4.2Å; P225-M239 CarbonylContact C-O 3.53Å; P225-M239 WeakPolarHBondContact CA-O 3.24Å; C226-M239 PolarHBondContact N-O 2.64Å; L227-M239 HydrophobicContact CB-CB 4.29Å; L227-M239 HydrophobicContact CD2-CE 3.7Å; L227-M239 HydrophobicContact CG-CE 3.81Å; L227-M239 PolarHBondContact N-O 3.4Å; L227-M239 PolarHBondContact O-N 3.09Å; V229-M239 HydrophobicContact CG2-CE 3.75Å; Q237-M239 HydrophobicContact CG-CG 4.05Å; Q237-M239 HydrophobicContact CG-SD 4.24Å; Q237-M239 PolarHBondContact NE2-SD 2.93Å; M239-H241 WeakPolarHBondContact CB-O 3.41Å; M239-D244 HydrophobicContact CB-CB 3.95Å; M239-D244 HydrophobicContact CG-CB 4.08Å; M239-P247 HydrophobicContact CG-CB 3.82Å
240	R	87.8	Confident	90.6	Very high	68 Å²	68	44.5 Å²	44.5	26%	0.257	22%	0.218	S	C	.	.	S	Bend	trans	-72.7	-37.3	171.2	-65.9	168.8	177.4	81.3	-0.4	113	D223 P225 C226 D244 N246	D223-R240 VanDerWaalsContact CG-NE 3.29Å; D223-R240 PolarHBondContact O-NE 3.19Å; D223-R240 VanDerWaalsContact OD1-CD 3.24Å; D223-R240 WeakPolarHBondContact OD1-CD 3.32Å; D223-R240 IonicContact OD1-NE 3.73Å; D223-R240 PolarHBondContact OD1-NE 2.88Å; D223-R240 IonicContact OD2-CZ 3.4Å; D223-R240 IonicContact OD2-NE 2.64Å; D223-R240 PolarHBondContact OD2-NE 2.94Å; D223-R240 IonicContact OD2-NH2 3.51Å; D223-R240 PolarHBondContact OD2-NH2 2.98Å; P225-R240 HydrophobicContact CB-CG 4.38Å; P225-R240 HydrophobicContact CG-CG 4.07Å; C226-R240 PolarHBondContact SG-O 3.04Å; R240-D244 PolarHBondContact N-OD2 3.42Å; R240-D244 IonicContact NH1-OD1 3.53Å; R240-D244 IonicContact NH1-OD2 3.09Å; R240-D244 PolarHBondContact NH1-OD2 3.28Å; R240-N246 PolarHBondContact NH1-O 2.89Å
241	H	85.9	Confident	90.4	Very high	84 Å²	84	48.8 Å²	48.8	39%	0.389	24%	0.241	S	C	.	.	S	Bend	trans	-154.1	173.7	-179.6	48.7	-89.5	0	0	0	108.5	M239 N243 D244	M239-H241 WeakPolarHBondContact CB-O 3.41Å; H241-N243 VanDerWaalsContact CD2-C 3.48Å; H241-N243 PolarHBondContact NE2-O 2.99Å; H241-N243 PolarHBondContact O-N 3.15Å; H241-D244 PolarHBondContact O-N 2.77Å
242	E	84.3	Confident	90.2	Very high	53 Å²	53	49.1 Å²	49.1	25%	0.248	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-17.3	-174.6	68.4	-80.6	-172.7	0	0	114.8	I182 M193 W212	I182-E242 HydrophobicContact CD1-CB 3.74Å; I182-E242 HydrophobicContact CD1-CG 3.87Å; M193-E242 HydrophobicContact CE-CB 4.04Å; W212-E242 HydrophobicContact CH2-CB 4.06Å; W212-E242 WeakPolarHBondContact CH2-OE2 3.46Å
243	N	85.2	Confident	90	Very high	75 Å²	75	49.4 Å²	49.4	40%	0.401	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	33	-177.2	-76	-28.6	0	0	0	113.9	M191 H241 Q245	M191-N243 WeakPolarHBondContact CE-OD1 3.28Å; M191-N243 PolarHBondContact SD-ND2 2.95Å; M191-N243 PolarHBondContact SD-OD1 3.22Å; H241-N243 VanDerWaalsContact CD2-C 3.48Å; H241-N243 PolarHBondContact NE2-O 2.99Å; H241-N243 PolarHBondContact O-N 3.15Å; N243-Q245 PolarHBondContact O-N 3.05Å
244	D	86.3	Confident	90.1	Very high	23 Å²	23	47.6 Å²	47.6	12%	0.123	25%	0.246	C	C	.	.			trans	-66.7	126.1	179.3	-164.1	-18.4	0	0	0	112	M239 R240 H241 N246	M239-D244 HydrophobicContact CB-CB 3.95Å; M239-D244 HydrophobicContact CG-CB 4.08Å; R240-D244 PolarHBondContact N-OD2 3.42Å; R240-D244 IonicContact NH1-OD1 3.53Å; R240-D244 IonicContact NH1-OD2 3.09Å; R240-D244 PolarHBondContact NH1-OD2 3.28Å; H241-D244 PolarHBondContact O-N 2.77Å; D244-N246 PolarHBondContact OD1-N 3.39Å
245	Q	85.1	Confident	90.2	Very high	170 Å²	170	52.7 Å²	52.7	79%	0.794	27%	0.266	S	S	*	.	S	Bend	trans	-79.8	-26.1	177.3	-63.2	-166.8	8.2	0	0	112.8	N243 P247	N243-Q245 PolarHBondContact O-N 3.05Å; Q245-P247 WeakPolarHBondContact O-CD 3.36Å
246	N	88	Confident	90.2	Very high	127 Å²	127	49.2 Å²	49.2	68%	0.679	25%	0.254	S	S	*	.	S	Bend	trans	-124.6	66	-175.4	-68.6	-28	0	0	0	110.7	R240 D244	R240-N246 PolarHBondContact NH1-O 2.89Å; D244-N246 PolarHBondContact OD1-N 3.39Å
247	P	91.7	Very high	90.2	Very high	22 Å²	22	51.4 Å²	51.4	14%	0.143	27%	0.268	C	S	.	.			trans	-70.9	150.8	179.3	31.9	-37.3	0	0	0	111.8	Q237 I238 M239 Q245 L249	Q237-P247 HydrophobicContact CG-CB 3.63Å; Q237-P247 HydrophobicContact CG-CG 4.16Å; I238-P247 CarbonylContact O-C 3.51Å; I238-P247 WeakPolarHBondContact O-CA 3.24Å; M239-P247 HydrophobicContact CG-CB 3.82Å; Q245-P247 WeakPolarHBondContact O-CD 3.36Å; P247-L249 HydrophobicContact CB-CD2 4.44Å; P247-L249 HydrophobicContact CG-CD2 4.12Å
248	V	92.5	Very high	90.1	Very high	31 Å²	31	51.9 Å²	51.9	19%	0.188	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	126.4	170.9	178	0	0	0	0	108.6	P225 Q237 I238 I250 F292	P225-V248 HydrophobicContact CG-CG2 4.29Å; Q237-V248 WeakPolarHBondContact CA-O 3.43Å; I238-V248 HydrophobicContact CB-CB 4.2Å; I238-V248 PolarHBondContact N-O 3.48Å; I238-V248 PolarHBondContact O-N 3.19Å; V248-I250 HydrophobicContact CG1-CG1 4.24Å; V248-F292 WeakPolarHBondContact CG1-O 3.15Å
249	L	93.5	Very high	90.1	Very high	95 Å²	95	52.7 Å²	52.7	50%	0.497	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127	-178.6	-53.3	-178.7	0	0	0	109.7	C197 Q237 P247	C197-L249 HydrophobicContact CB-CD2 3.91Å; Q237-L249 HydrophobicContact CB-CD2 4.34Å; Q237-L249 HydrophobicContact CG-CD2 3.96Å; P247-L249 HydrophobicContact CB-CD2 4.44Å; P247-L249 HydrophobicContact CG-CD2 4.12Å
250	I	93.4	Very high	90.2	Very high	14 Å²	14	54.1 Å²	54.1	7%	0.072	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	137.2	-179.8	-54.9	170.9	0	0	0	108.8	C236 I238 V248 T252 Y289	C236-I250 HydrophobicContact CB-CB 4.13Å; C236-I250 PolarHBondContact N-O 3.46Å; C236-I250 PolarHBondContact O-N 2.9Å; I238-I250 HydrophobicContact CD1-CD1 3.5Å; I238-I250 HydrophobicContact CG1-CD1 4.1Å; V248-I250 HydrophobicContact CG1-CG1 4.24Å; I250-T252 HydrophobicContact CG2-CG2 4Å; I250-Y289 HydrophobicContact CD1-CD1 4.03Å; I250-Y289 HydrophobicContact CD1-CG 4.13Å; I250-Y289 HydrophobicContact CG2-CD1 4.16Å; I250-Y289 HydrophobicContact CG2-CE1 3.65Å; I250-Y289 HydrophobicContact CG2-CE2 4.35Å
251	D	92.1	Very high	90.5	Very high	91 Å²	91	51 Å²	51	49%	0.487	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	110	168	-171.1	-12	0	0	0	108.5	R235 G253	R235-D251 IonicContact CZ-OD2 3.16Å; R235-D251 IonicContact NH1-OD2 3.68Å; R235-D251 PolarHBondContact NH1-OD2 3.37Å; R235-D251 IonicContact NH2-OD2 3.48Å; D251-G253 PolarHBondContact OD1-N 3.09Å
252	T	88.9	Confident	90.6	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.043	25%	0.254	C	S	.	.			trans	-83.8	-15.9	-174.7	62.2	0	0	0	0	113	G234 I250 M254 V270 Q287 Y289	G234-T252 WeakPolarHBondContact CA-OG1 3.17Å; G234-T252 PolarHBondContact O-N 3.07Å; G234-T252 VanDerWaalsContact O-N 3.12Å; G234-T252 PolarHBondContact O-OG1 2.94Å; G234-T252 VanDerWaalsContact O-OG1 3.09Å; I250-T252 HydrophobicContact CG2-CG2 4Å; T252-M254 PolarHBondContact O-N 3.36Å; T252-M254 WeakPolarHBondContact OG1-CG 3.35Å; T252-V270 HydrophobicContact CG2-CG1 4.24Å; T252-Q287 VanDerWaalsContact CB-OE1 3.3Å; T252-Q287 PolarHBondContact O-NE2 3.45Å; T252-Q287 VanDerWaalsContact O-NE2 3.1Å; T252-Q287 PolarHBondContact O-OE1 3.39Å; T252-Y289 HydrophobicContact CG2-CE2 4Å
253	G	88.6	Confident	90.6	Very high	48 Å²	48	46.4 Å²	46.4	50%	0.495	25%	0.25	S	S	.	.	S	Bend	trans	60.7	26.1	-176.4	0	0	0	0	0	114.3	D251 Q274	D251-G253 PolarHBondContact OD1-N 3.09Å; G253-Q274 PolarHBondContact O-NE2 3.03Å
254	M	91.2	Very high	90.3	Very high	5 Å²	5	46.7 Å²	46.7	3%	0.025	25%	0.25	C	S	.	.	S	Bend	trans	-139	158.4	-179.1	57.4	-179.3	-88.1	0	0	111.2	N233 G234 T252 V256 V270 G272 Q274 I285 Q287	N233-M254 CarbonylContact C-O 3.6Å; G234-M254 VanDerWaalsContact CA-O 3.28Å; G234-M254 WeakPolarHBondContact CA-O 3.5Å; G234-M254 PolarHBondContact N-O 3.28Å; T252-M254 PolarHBondContact O-N 3.36Å; T252-M254 WeakPolarHBondContact OG1-CG 3.35Å; M254-V256 HydrophobicContact CE-CG2 4.28Å; M254-V256 HydrophobicContact CG-CG2 4.2Å; M254-V270 HydrophobicContact CE-CG1 4.24Å; M254-G272 VanDerWaalsContact CE-CA 3.43Å; M254-Q274 HydrophobicContact CB-CB 4.21Å; M254-I285 HydrophobicContact CB-CD1 4.13Å; M254-I285 HydrophobicContact CE-CG1 4.11Å; M254-I285 HydrophobicContact CG-CD1 4.45Å; M254-I285 HydrophobicContact SD-CD1 3.64Å; M254-I285 HydrophobicContact SD-CG1 3.78Å; M254-Q287 VanDerWaalsContact SD-CD 3.58Å; M254-Q287 HydrophobicContact SD-CG 3.87Å
255	Y	92	Very high	90.1	Very high	107 Å²	107	45.7 Å²	45.7	42%	0.42	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.1	169.7	-69.1	-80.5	0	0	0	109.3	D232 G272 F273 K275	D232-Y255 CarbonylContact O-C 3.59Å; D232-Y255 WeakPolarHBondContact O-CA 3.45Å; Y255-G272 CarbonylContact O-C 3.55Å; Y255-G272 WeakPolarHBondContact O-CA 3.46Å; Y255-F273 AromaticContact CD2-CD2 3.98Å; Y255-F273 HydrophobicContact CD2-CD2 3.98Å; Y255-F273 AromaticContact CD2-CE2 3.41Å; Y255-F273 HydrophobicContact CD2-CE2 3.41Å; Y255-F273 VanDerWaalsContact CD2-CE2 3.41Å; Y255-F273 AromaticContact CD2-CZ 3.92Å; Y255-F273 HydrophobicContact CD2-CZ 3.92Å; Y255-F273 HydrophobicContact CE2-CE2 4.29Å; Y255-F273 HydrophobicContact CG-CD2 4.4Å; Y255-F273 HydrophobicContact CG-CE1 4.39Å; Y255-F273 AromaticContact CG-CE2 3.69Å; Y255-F273 HydrophobicContact CG-CE2 3.69Å; Y255-F273 AromaticContact CG-CZ 3.68Å; Y255-F273 HydrophobicContact CG-CZ 3.68Å; Y255-F273 PolarHBondContact N-O 3.12Å; Y255-F273 PolarHBondContact O-N 2.83Å; Y255-K275 HydrophobicContact CE2-CD 4.27Å
256	V	93.9	Very high	90	Very high	9 Å²	9	39.4 Å²	39.4	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	132.5	-171.8	-178.5	0	0	0	0	110	A208 D232 M254 I259 V270	A208-V256 HydrophobicContact CB-CB 4Å; A208-V256 HydrophobicContact CB-CG1 3.77Å; A208-V256 WeakPolarHBondContact CB-O 3.36Å; D232-V256 PolarHBondContact O-N 3.44Å; M254-V256 HydrophobicContact CE-CG2 4.28Å; M254-V256 HydrophobicContact CG-CG2 4.2Å; V256-I259 HydrophobicContact CG1-CG2 3.97Å; V256-V270 HydrophobicContact CB-CG1 4.34Å; V256-V270 HydrophobicContact CG1-CG1 3.67Å; V256-V270 HydrophobicContact CG2-CG1 3.65Å
257	V	92.8	Very high	90.2	Very high	47 Å²	47	33.5 Å²	33.5	29%	0.285	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-35.5	175.6	178.6	0	0	0	0	111.1	A271 F273 I306 S307	V257-A271 PolarHBondContact N-O 3.49Å; V257-F273 HydrophobicContact CG2-CD1 4.42Å; V257-I306 WeakPolarHBondContact CG1-O 3.36Å; V257-S307 WeakPolarHBondContact CG1-O 3.33Å
258	G	92.4	Very high	90.3	Very high	12 Å²	12	32.5 Å²	32.5	12%	0.124	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	158.5	180	0	0	0	0	0	113.1	A271 L309	G258-A271 PolarHBondContact N-O 2.84Å; G258-A271 PolarHBondContact O-N 3.48Å; G258-L309 WeakPolarHBondContact O-CD2 3.17Å
259	I	95.5	Very high	90.4	Very high	16 Å²	16	31 Å²	31	8%	0.082	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	148.9	175.6	63.3	165	0	0	0	110.7	G209 A228 C230 V256 L268 A269 V270	G209-I259 WeakPolarHBondContact O-CD1 3.2Å; A228-I259 HydrophobicContact CB-CD1 3.92Å; C230-I259 HydrophobicContact CB-CD1 3.83Å; C230-I259 HydrophobicContact CB-CG1 4.39Å; C230-I259 HydrophobicContact CB-CG2 3.53Å; V256-I259 HydrophobicContact CG1-CG2 3.97Å; I259-L268 HydrophobicContact CB-CD1 4.35Å; I259-A269 VanDerWaalsContact CA-O 3.31Å; I259-A269 WeakPolarHBondContact CA-O 3.39Å; I259-V270 HydrophobicContact CG2-CB 4.27Å; I259-V270 HydrophobicContact CG2-CG1 3.98Å; I259-V270 HydrophobicContact CG2-CG2 3.94Å
260	Q	94	Very high	90.5	Very high	32 Å²	32	26.5 Å²	26.5	15%	0.15	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	134.1	171.8	-154.4	-173.6	18.5	0	0	112.2	H211 A269 L309 W311	H211-Q260 WeakPolarHBondContact NE2-CG 3.29Å; Q260-A269 PolarHBondContact N-O 2.82Å; Q260-A269 PolarHBondContact O-N 2.53Å; Q260-L309 HydrophobicContact CB-CD1 3.57Å; Q260-L309 HydrophobicContact CB-CG 4.24Å; Q260-W311 PolarHBondContact O-NE1 2.86Å; Q260-W311 VanDerWaalsContact OE1-CD1 3.28Å
261	W	92.5	Very high	90.6	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.008	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	143.5	167.2	-73.4	105.7	0	0	0	110.4	H211 C226 A228 I238 L268 P291 W311	H211-W261 AromaticContact ND1-CD1 3.36Å; H211-W261 AromaticContact ND1-CG 3.79Å; H211-W261 PolarHBondContact ND1-N 3.43Å; H211-W261 PolarHBondContact O-NE1 3.38Å; C226-W261 PolarHBondContact O-NE1 3.5Å; A228-W261 HydrophobicContact CB-CZ2 4.04Å; I238-W261 HydrophobicContact CD1-CH2 4.27Å; I238-W261 HydrophobicContact CD1-CZ2 4.26Å; I238-W261 HydrophobicContact CG2-CH2 4.32Å; I238-W261 HydrophobicContact CG2-CZ2 3.76Å; W261-L268 HydrophobicContact CD2-CB 4.17Å; W261-L268 HydrophobicContact CD2-CD1 3.93Å; W261-L268 HydrophobicContact CE3-CB 3.88Å; W261-L268 HydrophobicContact CE3-CD1 4.46Å; W261-L268 HydrophobicContact CG-CD1 4.1Å; W261-L268 HydrophobicContact CH2-CB 3.64Å; W261-L268 HydrophobicContact CH2-CD2 4.4Å; W261-L268 HydrophobicContact CH2-CG 4.45Å; W261-L268 HydrophobicContact CZ2-CB 4.02Å; W261-L268 HydrophobicContact CZ2-CD1 4.23Å; W261-L268 HydrophobicContact CZ2-CD2 4.15Å; W261-L268 HydrophobicContact CZ2-CG 4.37Å; W261-L268 HydrophobicContact CZ3-CB 3.61Å; W261-P291 HydrophobicContact CH2-CB 4.3Å; W261-P291 HydrophobicContact CH2-CG 4.14Å; W261-P291 HydrophobicContact CZ3-CG 3.92Å; W261-W311 VanDerWaalsContact O-CD1 3.26Å
262	N	89	Confident	90.7	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.016	12%	0.124	C	C	.	.			trans	-67.3	162.7	163.6	72.7	-11.2	0	0	0	110.7	M264 G265 S266 V267 W311	N262-M264 PolarHBondContact O-N 2.99Å; N262-M264 VanDerWaalsContact O-N 3.07Å; N262-G265 PolarHBondContact O-N 3.21Å; N262-G265 WeakPolarHBondContact OD1-CA 3.47Å; N262-G265 PolarHBondContact OD1-N 3.49Å; N262-S266 PolarHBondContact ND2-OG 3.04Å; N262-S266 PolarHBondContact OD1-N 3.01Å; N262-V267 PolarHBondContact N-O 3.28Å; N262-V267 PolarHBondContact ND2-N 2.78Å; N262-V267 PolarHBondContact OD1-N 2.86Å; N262-V267 VanDerWaalsContact OD1-N 3.07Å; N262-V267 PolarHBondContact OD1-O 3.14Å; N262-W311 HydrophobicContact CB-CD2 3.66Å; N262-W311 HydrophobicContact CB-CE3 3.73Å; N262-W311 HydrophobicContact CB-CG 4.14Å; N262-W311 HydrophobicContact CB-CH2 4.03Å; N262-W311 HydrophobicContact CB-CZ2 3.99Å; N262-W311 HydrophobicContact CB-CZ3 3.85Å
263	H	84.9	Confident	90.8	Very high	38 Å²	38	23.7 Å²	23.7	18%	0.176	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.4	-175.9	-60	-67.4	0	0	0	114.7	K24 Y213 W311 E312 G313	K24-H263 HydrophobicContact CD-CB 4.12Å; K24-H263 HydrophobicContact CG-CB 4.49Å; Y213-H263 WeakPolarHBondContact CE2-O 3.42Å; Y213-H263 PolarHBondContact OH-O 3.05Å; H263-W311 PolarHBondContact NE2-O 3.36Å; H263-W311 VanDerWaalsContact NE2-O 3.09Å; H263-E312 PolarHBondContact CD2-O 3.1Å; H263-G313 VanDerWaalsContact CD2-CA 3.49Å; H263-G313 WeakPolarHBondContact CD2-CA 3.09Å; H263-G313 PolarHBondContact CD2-O 2.84Å
264	M	78	Confident	90.7	Very high	81 Å²	81	25.1 Å²	25.1	40%	0.399	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-4	174.9	-65	-176.1	-77.9	0	0	113.1	N262 S266 G314	N262-M264 PolarHBondContact O-N 2.99Å; N262-M264 VanDerWaalsContact O-N 3.07Å; M264-S266 PolarHBondContact O-N 2.94Å; M264-S266 VanDerWaalsContact O-N 3.14Å; M264-G314 WeakPolarHBondContact CE-O 3.4Å
265	G	82.6	Confident	90.2	Very high	3 Å²	3	31.3 Å²	31.3	3%	0.031	15%	0.153	C	C	.	.	S	Bend	trans	65.3	12.3	-175.7	0	0	0	0	0	115	N262 P291	N262-G265 PolarHBondContact O-N 3.21Å; N262-G265 WeakPolarHBondContact OD1-CA 3.47Å; N262-G265 PolarHBondContact OD1-N 3.49Å; G265-P291 WeakPolarHBondContact O-CG 3.33Å
266	S	83.4	Confident	89.2	Confident	38 Å²	38	28 Å²	28	27%	0.266	15%	0.148	S	C	.	.	S	Bend	trans	-91.3	-19.7	-176.5	60.7	0	0	0	0	114.3	N262 M264 P291	N262-S266 PolarHBondContact ND2-OG 3.04Å; N262-S266 PolarHBondContact OD1-N 3.01Å; M264-S266 PolarHBondContact O-N 2.94Å; M264-S266 VanDerWaalsContact O-N 3.14Å; S266-P291 WeakPolarHBondContact O-CD 3.46Å
267	V	90.5	Very high	87.5	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.018	19%	0.192	C	C	.	.			trans	-140.5	128.6	-178.4	-175.6	0	0	0	0	110.5	M1 N262 F288 Y289 L296 W311	M1-V267 HydrophobicContact CE-CG2 3.85Å; M1-V267 HydrophobicContact SD-CG2 4.11Å; N262-V267 PolarHBondContact N-O 3.28Å; N262-V267 PolarHBondContact ND2-N 2.78Å; N262-V267 PolarHBondContact OD1-N 2.86Å; N262-V267 VanDerWaalsContact OD1-N 3.07Å; N262-V267 PolarHBondContact OD1-O 3.14Å; V267-F288 HydrophobicContact CG1-CB 3.92Å; V267-F288 HydrophobicContact CG1-CD1 3.8Å; V267-F288 HydrophobicContact CG1-CG 4.33Å; V267-Y289 WeakPolarHBondContact CA-O 3.43Å; V267-L296 HydrophobicContact CG1-CD1 4.08Å; V267-L296 HydrophobicContact CG2-CD1 3.89Å; V267-W311 HydrophobicContact CB-CH2 4.07Å; V267-W311 HydrophobicContact CB-CZ2 4.36Å; V267-W311 HydrophobicContact CG1-CH2 3.85Å; V267-W311 HydrophobicContact CG1-CZ2 4.06Å
268	L	93.7	Very high	85.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.8	167	-178.5	64.5	0	0	0	109.2	A228 I238 I259 W261 V270 F288 Y289	A228-L268 HydrophobicContact CB-CD1 4.01Å; A228-L268 HydrophobicContact CB-CD2 3.83Å; I238-L268 HydrophobicContact CD1-CD2 3.8Å; I238-L268 HydrophobicContact CG1-CD2 4.33Å; I259-L268 HydrophobicContact CB-CD1 4.35Å; W261-L268 HydrophobicContact CD2-CB 4.17Å; W261-L268 HydrophobicContact CD2-CD1 3.93Å; W261-L268 HydrophobicContact CE3-CB 3.88Å; W261-L268 HydrophobicContact CE3-CD1 4.46Å; W261-L268 HydrophobicContact CG-CD1 4.1Å; W261-L268 HydrophobicContact CH2-CB 3.64Å; W261-L268 HydrophobicContact CH2-CD2 4.4Å; W261-L268 HydrophobicContact CH2-CG 4.45Å; W261-L268 HydrophobicContact CZ2-CB 4.02Å; W261-L268 HydrophobicContact CZ2-CD1 4.23Å; W261-L268 HydrophobicContact CZ2-CD2 4.15Å; W261-L268 HydrophobicContact CZ2-CG 4.37Å; W261-L268 HydrophobicContact CZ3-CB 3.61Å; L268-V270 HydrophobicContact CD2-CG2 4.22Å; L268-V270 HydrophobicContact CG-CG2 4.16Å; L268-F288 WeakPolarHBondContact O-CA 3.39Å; L268-Y289 PolarHBondContact N-O 3.13Å; L268-Y289 PolarHBondContact O-N 3.1Å
269	A	95.4	Very high	84	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.7	168.1	0	0	0	0	0	110.2	I259 Q260 V286 F288 L309 W311 I318	I259-A269 VanDerWaalsContact CA-O 3.31Å; I259-A269 WeakPolarHBondContact CA-O 3.39Å; Q260-A269 PolarHBondContact N-O 2.82Å; Q260-A269 PolarHBondContact O-N 2.53Å; A269-V286 HydrophobicContact CB-CG1 4.2Å; A269-F288 HydrophobicContact CB-CD1 3.96Å; A269-F288 HydrophobicContact CB-CE1 3.83Å; A269-L309 HydrophobicContact CB-CD1 3.66Å; A269-W311 HydrophobicContact CB-CZ2 3.57Å; A269-I318 HydrophobicContact CB-CD1 3.78Å
270	V	96	Very high	82.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	115.6	174.5	-177.2	0	0	0	0	108.1	T252 M254 V256 I259 L268 V286 Q287 Y289	T252-V270 HydrophobicContact CG2-CG1 4.24Å; M254-V270 HydrophobicContact CE-CG1 4.24Å; V256-V270 HydrophobicContact CB-CG1 4.34Å; V256-V270 HydrophobicContact CG1-CG1 3.67Å; V256-V270 HydrophobicContact CG2-CG1 3.65Å; I259-V270 HydrophobicContact CG2-CB 4.27Å; I259-V270 HydrophobicContact CG2-CG1 3.98Å; I259-V270 HydrophobicContact CG2-CG2 3.94Å; L268-V270 HydrophobicContact CD2-CG2 4.22Å; L268-V270 HydrophobicContact CG-CG2 4.16Å; V270-V286 CarbonylContact O-C 3.56Å; V270-V286 WeakPolarHBondContact O-CA 3.43Å; V270-Q287 PolarHBondContact N-O 2.84Å; V270-Q287 PolarHBondContact O-N 3.16Å; V270-Y289 HydrophobicContact CG2-CD2 4.07Å; V270-Y289 HydrophobicContact CG2-CE2 4.31Å
271	A	95.4	Very high	81.1	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.008	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.2	-176.1	0	0	0	0	0	112.2	V257 G258 V286 I306 L309	V257-A271 PolarHBondContact N-O 3.49Å; G258-A271 PolarHBondContact N-O 2.84Å; G258-A271 PolarHBondContact O-N 3.48Å; A271-V286 HydrophobicContact CB-CG1 4.4Å; A271-V286 HydrophobicContact CB-CG2 3.91Å; A271-I306 HydrophobicContact CB-CD1 4.42Å; A271-I306 HydrophobicContact CB-CG2 4.18Å; A271-L309 HydrophobicContact CB-CD2 3.62Å
272	G	93.3	Very high	80.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.1	-152.5	-179.5	0	0	0	0	0	112.4	M254 Y255 N284 I285	M254-G272 VanDerWaalsContact CE-CA 3.43Å; Y255-G272 CarbonylContact O-C 3.55Å; Y255-G272 WeakPolarHBondContact O-CA 3.46Å; G272-N284 WeakPolarHBondContact O-CA 3.41Å; G272-I285 PolarHBondContact N-O 2.67Å; G272-I285 PolarHBondContact O-N 3.17Å
273	F	90.6	Very high	80.5	Confident	52 Å²	52	61.6 Å²	61.6	23%	0.228	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144	-175.2	61.9	-85.7	0	0	0	112.6	Y255 V257 D282 V283	Y255-F273 AromaticContact CD2-CD2 3.98Å; Y255-F273 HydrophobicContact CD2-CD2 3.98Å; Y255-F273 AromaticContact CD2-CE2 3.41Å; Y255-F273 HydrophobicContact CD2-CE2 3.41Å; Y255-F273 VanDerWaalsContact CD2-CE2 3.41Å; Y255-F273 AromaticContact CD2-CZ 3.92Å; Y255-F273 HydrophobicContact CD2-CZ 3.92Å; Y255-F273 HydrophobicContact CE2-CE2 4.29Å; Y255-F273 HydrophobicContact CG-CD2 4.4Å; Y255-F273 HydrophobicContact CG-CE1 4.39Å; Y255-F273 AromaticContact CG-CE2 3.69Å; Y255-F273 HydrophobicContact CG-CE2 3.69Å; Y255-F273 AromaticContact CG-CZ 3.68Å; Y255-F273 HydrophobicContact CG-CZ 3.68Å; Y255-F273 PolarHBondContact N-O 3.12Å; Y255-F273 PolarHBondContact O-N 2.83Å; V257-F273 HydrophobicContact CG2-CD1 4.42Å; F273-D282 HydrophobicContact CB-CB 4.43Å; F273-D282 HydrophobicContact CD2-CB 4.19Å; F273-V283 WeakPolarHBondContact CA-O 3.42Å
274	Q	88.1	Confident	80.8	Confident	78 Å²	78	59.8 Å²	59.8	36%	0.364	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.5	178.6	-172.9	172.7	43.3	0	0	110.2	G253 M254 A276 V283 I285	G253-Q274 PolarHBondContact O-NE2 3.03Å; M254-Q274 HydrophobicContact CB-CB 4.21Å; Q274-A276 PolarHBondContact O-N 3.09Å; Q274-V283 PolarHBondContact N-O 3.32Å; Q274-V283 PolarHBondContact O-N 2.77Å; Q274-I285 HydrophobicContact CB-CD1 3.69Å; Q274-I285 HydrophobicContact CB-CG1 4.2Å; Q274-I285 HydrophobicContact CG-CD1 4.46Å
275	K	80.6	Confident	81.5	Confident	135 Å²	135	56 Å²	56	59%	0.587	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.6	116.8	173.4	-75.2	-179.8	176.5	176.1	0	109.4	Y255 D282	Y255-K275 HydrophobicContact CE2-CD 4.27Å; K275-D282 WeakPolarHBondContact CG-OD1 3.31Å
276	A	70.8	Confident	82.1	Confident	37 Å²	37	55.9 Å²	55.9	31%	0.306	32%	0.316	S	S	.	.			trans	-76.3	126.9	178.4	0	0	0	0	0	110.7	Q274 A278 Q279 V283	Q274-A276 PolarHBondContact O-N 3.09Å; A276-A278 PolarHBondContact O-N 2.94Å; A276-A278 VanDerWaalsContact O-N 3.09Å; A276-Q279 HydrophobicContact CB-CB 4.27Å; A276-Q279 VanDerWaalsContact O-O 3.1Å; A276-V283 HydrophobicContact CB-CG2 4.26Å
277	A	58.4	Low	82.5	Confident	119 Å²	119	54.7 Å²	54.7	98%	0.983	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-14	-179.8	0	0	0	0	0	114.6
278	A	56.6	Low	82.7	Confident	100 Å²	100	54.6 Å²	54.6	83%	0.826	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.2	-4.2	-174.5	0	0	0	0	0	114.6	A276	A276-A278 PolarHBondContact O-N 2.94Å; A276-A278 VanDerWaalsContact O-N 3.09Å
279	Q	55.2	Low	82.6	Confident	136 Å²	136	55.3 Å²	55.3	64%	0.636	31%	0.308	S	S	*	.	S	Bend	trans	-138.9	133	179.8	-69.5	-176.7	-3.4	0	0	109.4	A276 K281	A276-Q279 HydrophobicContact CB-CB 4.27Å; A276-Q279 VanDerWaalsContact O-O 3.1Å; Q279-K281 PolarHBondContact O-N 3.14Å
280	D	56.2	Low	82.4	Confident	182 Å²	182	56.1 Å²	56.1	97%	0.973	31%	0.313	S	S	*	.	S	Bend	trans	-70.8	22	-179.3	-137.5	13.7	0	0	0	113.4
281	K	72.9	Confident	82	Confident	162 Å²	162	56.3 Å²	56.3	70%	0.704	32%	0.315	S	S	*	.	S	Bend	trans	-124.5	129	-178.6	-85.1	-174.8	175.9	177.5	0	110.6	Q279	Q279-K281 PolarHBondContact O-N 3.14Å
282	D	79.8	Confident	81.7	Confident	83 Å²	83	60.2 Å²	60.2	44%	0.444	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	134.3	170.6	-63.2	-36.4	0	0	0	110.3	F273 K275	F273-D282 HydrophobicContact CB-CB 4.43Å; F273-D282 HydrophobicContact CD2-CB 4.19Å; K275-D282 WeakPolarHBondContact CG-OD1 3.31Å
283	V	87.8	Confident	81.4	Confident	45 Å²	45	61.2 Å²	61.2	27%	0.273	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.1	178.3	-176.8	0	0	0	0	108.6	F273 Q274 A276 I285	F273-V283 WeakPolarHBondContact CA-O 3.42Å; Q274-V283 PolarHBondContact N-O 3.32Å; Q274-V283 PolarHBondContact O-N 2.77Å; A276-V283 HydrophobicContact CB-CG2 4.26Å; V283-I285 HydrophobicContact CG1-CG2 4.03Å; V283-I285 PolarHBondContact O-N 2.88Å
284	N	91.9	Very high	81.3	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	126.3	173.5	-73	-53.5	0	0	0	110.1	G272 V301 G303 K304 I306	G272-N284 WeakPolarHBondContact O-CA 3.41Å; N284-V301 HydrophobicContact CB-CB 4.25Å; N284-V301 WeakPolarHBondContact CB-O 3.48Å; N284-V301 PolarHBondContact O-N 2.98Å; N284-G303 PolarHBondContact ND2-O 2.8Å; N284-K304 PolarHBondContact ND2-O 3.48Å; N284-K304 PolarHBondContact OD1-O 3.45Å; N284-I306 HydrophobicContact CB-CD1 3.82Å; N284-I306 HydrophobicContact CB-CG1 3.8Å; N284-I306 PolarHBondContact OD1-N 2.99Å
285	I	92.5	Very high	81.3	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.01	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.4	-178.2	61.7	168.3	0	0	0	111.5	M254 G272 Q274 V283 Q287 T298 L299 K300	M254-I285 HydrophobicContact CB-CD1 4.13Å; M254-I285 HydrophobicContact CE-CG1 4.11Å; M254-I285 HydrophobicContact CG-CD1 4.45Å; M254-I285 HydrophobicContact SD-CD1 3.64Å; M254-I285 HydrophobicContact SD-CG1 3.78Å; G272-I285 PolarHBondContact N-O 2.67Å; G272-I285 PolarHBondContact O-N 3.17Å; Q274-I285 HydrophobicContact CB-CD1 3.69Å; Q274-I285 HydrophobicContact CB-CG1 4.2Å; Q274-I285 HydrophobicContact CG-CD1 4.46Å; V283-I285 HydrophobicContact CG1-CG2 4.03Å; V283-I285 PolarHBondContact O-N 2.88Å; I285-Q287 HydrophobicContact CD1-CG 4.2Å; I285-T298 HydrophobicContact CB-CG2 4.05Å; I285-T298 HydrophobicContact CD1-CG2 4.38Å; I285-T298 HydrophobicContact CG2-CG2 4.25Å; I285-L299 CarbonylContact C-O 3.47Å; I285-L299 VanDerWaalsContact CA-O 3.3Å; I285-L299 WeakPolarHBondContact CA-O 3.41Å; I285-K300 HydrophobicContact CG2-CG 4.25Å
286	V	94.3	Very high	81.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	119.9	167.9	-174	0	0	0	0	107.6	A269 V270 A271 F288 T298 L299 V301 I306 L320	A269-V286 HydrophobicContact CB-CG1 4.2Å; V270-V286 CarbonylContact O-C 3.56Å; V270-V286 WeakPolarHBondContact O-CA 3.43Å; A271-V286 HydrophobicContact CB-CG1 4.4Å; A271-V286 HydrophobicContact CB-CG2 3.91Å; V286-F288 HydrophobicContact CB-CE2 4.34Å; V286-F288 HydrophobicContact CB-CZ 4.35Å; V286-F288 HydrophobicContact CG1-CE1 4.09Å; V286-F288 HydrophobicContact CG1-CE2 4Å; V286-F288 HydrophobicContact CG1-CZ 3.69Å; V286-T298 CarbonylContact O-C 3.48Å; V286-T298 WeakPolarHBondContact O-CA 3.38Å; V286-L299 HydrophobicContact CB-CB 4.44Å; V286-L299 PolarHBondContact N-O 3.43Å; V286-L299 PolarHBondContact O-N 3.2Å; V286-V301 HydrophobicContact CG2-CG2 4.04Å; V286-I306 HydrophobicContact CG2-CD1 4.1Å; V286-L320 HydrophobicContact CG2-CD1 3.86Å; V286-L320 HydrophobicContact CG2-CD2 3.95Å
287	Q	93.6	Very high	82.4	Confident	13 Å²	13	60.6 Å²	60.6	6%	0.061	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141.3	175.6	-65.2	179.7	-7.2	0	0	109.4	T252 M254 V270 I285 Y289 T298	T252-Q287 VanDerWaalsContact CB-OE1 3.3Å; T252-Q287 PolarHBondContact O-NE2 3.45Å; T252-Q287 VanDerWaalsContact O-NE2 3.1Å; T252-Q287 PolarHBondContact O-OE1 3.39Å; M254-Q287 VanDerWaalsContact SD-CD 3.58Å; M254-Q287 HydrophobicContact SD-CG 3.87Å; V270-Q287 PolarHBondContact N-O 2.84Å; V270-Q287 PolarHBondContact O-N 3.16Å; I285-Q287 HydrophobicContact CD1-CG 4.2Å; Q287-Y289 HydrophobicContact CB-CD2 4.35Å; Q287-Y289 HydrophobicContact CB-CE2 3.57Å; Q287-Y289 PolarHBondContact OE1-OH 3.42Å; Q287-T298 HydrophobicContact CG-CG2 4.1Å
288	F	93.4	Very high	83.8	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	133.2	-179.7	-60.6	-86.2	0	0	0	110.2	F3 V267 L268 A269 V286 L296 G297 L299 W311 I318 I331	F3-F288 HydrophobicContact CB-CE2 4.27Å; F3-F288 HydrophobicContact CD1-CD1 4.32Å; F3-F288 AromaticContact CD1-CD2 3.47Å; F3-F288 HydrophobicContact CD1-CD2 3.47Å; F3-F288 VanDerWaalsContact CD1-CD2 3.47Å; F3-F288 HydrophobicContact CD1-CE1 4.18Å; F3-F288 AromaticContact CD1-CE2 3.33Å; F3-F288 HydrophobicContact CD1-CE2 3.33Å; F3-F288 AromaticContact CD1-CG 3.98Å; F3-F288 HydrophobicContact CD1-CG 3.98Å; F3-F288 AromaticContact CD1-CZ 3.71Å; F3-F288 HydrophobicContact CD1-CZ 3.71Å; F3-F288 HydrophobicContact CD2-CD2 4.08Å; F3-F288 HydrophobicContact CD2-CE2 4.39Å; F3-F288 HydrophobicContact CE1-CB 3.91Å; F3-F288 AromaticContact CE1-CD1 3.73Å; F3-F288 HydrophobicContact CE1-CD1 3.73Å; F3-F288 AromaticContact CE1-CD2 3.32Å; F3-F288 HydrophobicContact CE1-CD2 3.32Å; F3-F288 HydrophobicContact CE1-CE1 4.02Å; F3-F288 AromaticContact CE1-CE2 3.66Å; F3-F288 HydrophobicContact CE1-CE2 3.66Å; F3-F288 AromaticContact CE1-CG 3.36Å; F3-F288 HydrophobicContact CE1-CG 3.36Å; F3-F288 AromaticContact CE1-CZ 3.99Å; F3-F288 HydrophobicContact CE1-CZ 3.99Å; F3-F288 HydrophobicContact CE2-CB 4.37Å; F3-F288 AromaticContact CE2-CD2 3.94Å; F3-F288 HydrophobicContact CE2-CD2 3.94Å; F3-F288 HydrophobicContact CE2-CG 4.36Å; F3-F288 AromaticContact CG-CD2 3.87Å; F3-F288 HydrophobicContact CG-CD2 3.87Å; F3-F288 AromaticContact CG-CE2 3.76Å; F3-F288 HydrophobicContact CG-CE2 3.76Å; F3-F288 HydrophobicContact CG-CZ 4.5Å; F3-F288 HydrophobicContact CZ-CB 3.61Å; F3-F288 HydrophobicContact CZ-CD1 4.34Å; F3-F288 AromaticContact CZ-CD2 3.56Å; F3-F288 HydrophobicContact CZ-CD2 3.56Å; F3-F288 HydrophobicContact CZ-CE2 4.3Å; F3-F288 AromaticContact CZ-CG 3.58Å; F3-F288 HydrophobicContact CZ-CG 3.58Å; V267-F288 HydrophobicContact CG1-CB 3.92Å; V267-F288 HydrophobicContact CG1-CD1 3.8Å; V267-F288 HydrophobicContact CG1-CG 4.33Å; L268-F288 WeakPolarHBondContact O-CA 3.39Å; A269-F288 HydrophobicContact CB-CD1 3.96Å; A269-F288 HydrophobicContact CB-CE1 3.83Å; V286-F288 HydrophobicContact CB-CE2 4.34Å; V286-F288 HydrophobicContact CB-CZ 4.35Å; V286-F288 HydrophobicContact CG1-CE1 4.09Å; V286-F288 HydrophobicContact CG1-CE2 4Å; V286-F288 HydrophobicContact CG1-CZ 3.69Å; F288-L296 HydrophobicContact CB-CB 4.14Å; F288-L296 WeakPolarHBondContact O-CB 3.45Å; F288-L296 PolarHBondContact O-N 2.85Å; F288-G297 PolarHBondContact N-O 3.43Å; F288-L299 HydrophobicContact CE2-CB 4.02Å; F288-W311 HydrophobicContact CD1-CH2 4.05Å; F288-W311 HydrophobicContact CD1-CZ2 4.16Å; F288-W311 AromaticContact CE1-CH2 3.9Å; F288-W311 HydrophobicContact CE1-CH2 3.9Å; F288-W311 HydrophobicContact CE1-CZ2 4.04Å; F288-I318 HydrophobicContact CE1-CD1 4.33Å; F288-I331 HydrophobicContact CE1-CD1 4.05Å; F288-I331 HydrophobicContact CZ-CD1 4.43Å
289	Y	92.8	Very high	85.4	Confident	15 Å²	15	53.8 Å²	53.8	6%	0.059	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	149.9	-177.2	-67.2	-86.9	0	0	0	111.9	I250 T252 V267 L268 V270 Q287 E294 H295	I250-Y289 HydrophobicContact CD1-CD1 4.03Å; I250-Y289 HydrophobicContact CD1-CG 4.13Å; I250-Y289 HydrophobicContact CG2-CD1 4.16Å; I250-Y289 HydrophobicContact CG2-CE1 3.65Å; I250-Y289 HydrophobicContact CG2-CE2 4.35Å; T252-Y289 HydrophobicContact CG2-CE2 4Å; V267-Y289 WeakPolarHBondContact CA-O 3.43Å; L268-Y289 PolarHBondContact N-O 3.13Å; L268-Y289 PolarHBondContact O-N 3.1Å; V270-Y289 HydrophobicContact CG2-CD2 4.07Å; V270-Y289 HydrophobicContact CG2-CE2 4.31Å; Q287-Y289 HydrophobicContact CB-CD2 4.35Å; Q287-Y289 HydrophobicContact CB-CE2 3.57Å; Q287-Y289 PolarHBondContact OE1-OH 3.42Å; Y289-E294 CarbonylContact C-O 3.59Å; Y289-E294 VanDerWaalsContact CA-O 3.26Å; Y289-E294 WeakPolarHBondContact CA-O 3.36Å; Y289-H295 HydrophobicContact CD1-CB 4.21Å; Y289-H295 HydrophobicContact CE1-CB 3.85Å; Y289-H295 AromaticContact CE1-CD2 3.87Å; Y289-H295 AromaticContact CZ-CD2 3.82Å
290	T	90.1	Very high	87	Confident	18 Å²	18	54.8 Å²	54.8	11%	0.11	28%	0.278	C	S	.	.			trans	-75	163.8	166.7	67.2	0	0	0	0	111	F292 G293 E294 L296	T290-F292 PolarHBondContact O-N 3Å; T290-F292 VanDerWaalsContact O-N 3.07Å; T290-F292 PolarHBondContact OG1-N 3.12Å; T290-G293 PolarHBondContact O-N 2.88Å; T290-G293 PolarHBondContact OG1-N 2.88Å; T290-E294 HydrophobicContact CG2-CB 4.01Å; T290-E294 PolarHBondContact N-O 2.85Å; T290-E294 WeakPolarHBondContact OG1-CB 3.32Å; T290-E294 PolarHBondContact OG1-N 3.28Å; T290-L296 HydrophobicContact CG2-CD1 4.02Å; T290-L296 HydrophobicContact CG2-CD2 3.59Å; T290-L296 HydrophobicContact CG2-CG 3.8Å
291	P	88.6	Confident	88.7	Confident	4 Å²	4	46.5 Å²	46.5	3%	0.026	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	-29.4	166.3	-33	39.7	0	0	0	115.1	C224 P225 W261 G265 S266	C224-P291 HydrophobicContact CB-CB 4.45Å; P225-P291 WeakPolarHBondContact CB-O 3.29Å; W261-P291 HydrophobicContact CH2-CB 4.3Å; W261-P291 HydrophobicContact CH2-CG 4.14Å; W261-P291 HydrophobicContact CZ3-CG 3.92Å; G265-P291 WeakPolarHBondContact O-CG 3.33Å; S266-P291 WeakPolarHBondContact O-CD 3.46Å
292	F	88.7	Confident	89.5	Confident	83 Å²	83	42.1 Å²	42.1	36%	0.364	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	5.4	-177.4	-52.8	-71.9	0	0	0	113.3	C224 P225 V248 T290	C224-F292 HydrophobicContact CB-CZ 4.32Å; P225-F292 HydrophobicContact CG-CD1 4.43Å; V248-F292 WeakPolarHBondContact CG1-O 3.15Å; T290-F292 PolarHBondContact O-N 3Å; T290-F292 VanDerWaalsContact O-N 3.07Å; T290-F292 PolarHBondContact OG1-N 3.12Å
293	G	87.8	Confident	89.7	Confident	21 Å²	21	40.2 Å²	40.2	22%	0.216	22%	0.221	C	C	.	.			trans	81.8	13.6	176	0	0	0	0	0	115.3	T290	T290-G293 PolarHBondContact O-N 2.88Å; T290-G293 PolarHBondContact OG1-N 2.88Å
294	E	87.6	Confident	89.7	Confident	129 Å²	129	46.5 Å²	46.5	60%	0.603	25%	0.245	S	C	*	.			trans	-75.9	133.1	173.2	-56	-176.9	148.3	0	0	110.4	Y289 T290 L296	Y289-E294 CarbonylContact C-O 3.59Å; Y289-E294 VanDerWaalsContact CA-O 3.26Å; Y289-E294 WeakPolarHBondContact CA-O 3.36Å; T290-E294 HydrophobicContact CG2-CB 4.01Å; T290-E294 PolarHBondContact N-O 2.85Å; T290-E294 WeakPolarHBondContact OG1-CB 3.32Å; T290-E294 PolarHBondContact OG1-N 3.28Å; E294-L296 PolarHBondContact O-N 3.16Å
295	H	89.1	Confident	89.5	Confident	97 Å²	97	50.4 Å²	50.4	45%	0.449	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	119.2	177.7	-179.7	-103.9	0	0	0	110.8	Y289 G297 T298	Y289-H295 HydrophobicContact CD1-CB 4.21Å; Y289-H295 HydrophobicContact CE1-CB 3.85Å; Y289-H295 AromaticContact CE1-CD2 3.87Å; Y289-H295 AromaticContact CZ-CD2 3.82Å; H295-G297 VanDerWaalsContact CE1-C 3.46Å; H295-G297 PolarHBondContact NE2-O 2.91Å; H295-T298 PolarHBondContact CE1-OG1 3.48Å; H295-T298 VanDerWaalsContact CE1-OG1 3.25Å; H295-T298 PolarHBondContact NE2-OG1 3.19Å
296	L	86.8	Confident	89.5	Confident	49 Å²	49	50.3 Å²	50.3	26%	0.257	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-29.7	-179	-67.5	175.2	0	0	0	113.1	M1 F3 V267 F288 T290 E294	M1-L296 HydrophobicContact SD-CD1 4.2Å; F3-L296 HydrophobicContact CE2-CB 4.42Å; F3-L296 HydrophobicContact CZ-CB 4.16Å; V267-L296 HydrophobicContact CG1-CD1 4.08Å; V267-L296 HydrophobicContact CG2-CD1 3.89Å; F288-L296 HydrophobicContact CB-CB 4.14Å; F288-L296 WeakPolarHBondContact O-CB 3.45Å; F288-L296 PolarHBondContact O-N 2.85Å; T290-L296 HydrophobicContact CG2-CD1 4.02Å; T290-L296 HydrophobicContact CG2-CD2 3.59Å; T290-L296 HydrophobicContact CG2-CG 3.8Å; E294-L296 PolarHBondContact O-N 3.16Å
297	G	85.6	Confident	89.4	Confident	14 Å²	14	51.4 Å²	51.4	14%	0.144	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.1	167.7	-178.3	0	0	0	0	0	113.6	F288 H295	F288-G297 PolarHBondContact N-O 3.43Å; H295-G297 VanDerWaalsContact CE1-C 3.46Å; H295-G297 PolarHBondContact NE2-O 2.91Å
298	T	88.8	Confident	89.3	Confident	63 Å²	63	51.7 Å²	51.7	39%	0.387	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.3	-179.9	-57.7	0	0	0	0	110.1	I285 V286 Q287 H295	I285-T298 HydrophobicContact CB-CG2 4.05Å; I285-T298 HydrophobicContact CD1-CG2 4.38Å; I285-T298 HydrophobicContact CG2-CG2 4.25Å; V286-T298 CarbonylContact O-C 3.48Å; V286-T298 WeakPolarHBondContact O-CA 3.38Å; Q287-T298 HydrophobicContact CG-CG2 4.1Å; H295-T298 PolarHBondContact CE1-OG1 3.48Å; H295-T298 VanDerWaalsContact CE1-OG1 3.25Å; H295-T298 PolarHBondContact NE2-OG1 3.19Å
299	L	89.8	Confident	89.4	Confident	12 Å²	12	52.3 Å²	52.3	6%	0.063	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.8	174.5	-179.3	69.8	0	0	0	110.1	F3 L5 I285 V286 F288 V301 L320 A329	F3-L299 HydrophobicContact CB-CB 4.4Å; F3-L299 HydrophobicContact CB-CD1 4.33Å; L5-L299 HydrophobicContact CD2-CD2 4.11Å; L5-L299 HydrophobicContact CG-CD1 4.31Å; I285-L299 CarbonylContact C-O 3.47Å; I285-L299 VanDerWaalsContact CA-O 3.3Å; I285-L299 WeakPolarHBondContact CA-O 3.41Å; V286-L299 HydrophobicContact CB-CB 4.44Å; V286-L299 PolarHBondContact N-O 3.43Å; V286-L299 PolarHBondContact O-N 3.2Å; F288-L299 HydrophobicContact CE2-CB 4.02Å; L299-V301 HydrophobicContact CD2-CG2 4.31Å; L299-V301 HydrophobicContact CG-CG2 4.3Å; L299-L320 HydrophobicContact CD2-CD1 4.46Å; L299-A329 HydrophobicContact CD2-CB 3.39Å
300	K	89.6	Confident	89.5	Confident	158 Å²	158	51.7 Å²	51.7	69%	0.687	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.8	131.2	172.1	-65.3	-179.8	-179.1	177.1	0	110	I285	I285-K300 HydrophobicContact CG2-CG 4.25Å
301	V	90.8	Very high	89.6	Confident	8 Å²	8	50.9 Å²	50.9	5%	0.048	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.2	-175.2	-172.3	0	0	0	0	109.8	N284 V286 L299 I306 L320 V322 Y327	N284-V301 HydrophobicContact CB-CB 4.25Å; N284-V301 WeakPolarHBondContact CB-O 3.48Å; N284-V301 PolarHBondContact O-N 2.98Å; V286-V301 HydrophobicContact CG2-CG2 4.04Å; L299-V301 HydrophobicContact CD2-CG2 4.31Å; L299-V301 HydrophobicContact CG-CG2 4.3Å; V301-I306 HydrophobicContact CB-CD1 4.37Å; V301-I306 HydrophobicContact CG2-CD1 4.39Å; V301-L320 HydrophobicContact CG1-CD1 4.33Å; V301-L320 HydrophobicContact CG2-CD1 3.71Å; V301-V322 HydrophobicContact CG1-CG2 3.89Å; V301-Y327 HydrophobicContact CG1-CD2 4.18Å; V301-Y327 HydrophobicContact CG1-CG 4.34Å
302	P	89.5	Confident	89.7	Confident	70 Å²	70	52.5 Å²	52.5	46%	0.455	28%	0.278	S	S	.	.			trans	-74.5	131.6	176.2	-17	30.5	0	0	0	112.5	L5 Y327	L5-P302 HydrophobicContact CD1-CG 4.34Å; P302-Y327 VanDerWaalsContact O-CE2 3.23Å; P302-Y327 WeakPolarHBondContact O-CE2 3.43Å; P302-Y327 PolarHBondContact O-OH 3.31Å; P302-Y327 VanDerWaalsContact O-OH 3.11Å
303	G	85.9	Confident	89.3	Confident	42 Å²	42	49.2 Å²	49.2	43%	0.433	27%	0.268	S	S	.	.	S	Bend	trans	154.3	-177.2	175	0	0	0	0	0	111.9	N284	N284-G303 PolarHBondContact ND2-O 2.8Å
304	K	85.8	Confident	88.7	Confident	178 Å²	178	50.5 Å²	50.5	77%	0.774	28%	0.281	S	S	*	.	S	Bend	trans	-86.9	-53.5	173.1	-62.6	-179.7	179	179.7	0	111.2	N284 D323	N284-K304 PolarHBondContact ND2-O 3.48Å; N284-K304 PolarHBondContact OD1-O 3.45Å; K304-D323 WeakPolarHBondContact CB-OD2 3.37Å; K304-D323 PolarHBondContact N-OD2 3.11Å
305	E	88.2	Confident	88.5	Confident	82 Å²	82	44.5 Å²	44.5	38%	0.383	25%	0.254	S	S	.	.			trans	-141.8	130.4	-175.2	-170.4	-178.6	-176.9	0	0	111.7	K16 V322 D323	K16-E305 IonicContact NZ-OE2 3.34Å; K16-E305 PolarHBondContact NZ-OE2 3.47Å; E305-V322 WeakPolarHBondContact O-CA 3.27Å; E305-V322 WeakPolarHBondContact O-CG1 3.41Å; E305-D323 PolarHBondContact N-OD1 3.38Å; E305-D323 PolarHBondContact O-N 2.89Å
306	I	92.9	Very high	88.4	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	129.8	166.9	-57.4	176.8	0	0	0	108	V257 A271 N284 V286 V301 V322	V257-I306 WeakPolarHBondContact CG1-O 3.36Å; A271-I306 HydrophobicContact CB-CD1 4.42Å; A271-I306 HydrophobicContact CB-CG2 4.18Å; N284-I306 HydrophobicContact CB-CD1 3.82Å; N284-I306 HydrophobicContact CB-CG1 3.8Å; N284-I306 PolarHBondContact OD1-N 2.99Å; V286-I306 HydrophobicContact CG2-CD1 4.1Å; V301-I306 HydrophobicContact CB-CD1 4.37Å; V301-I306 HydrophobicContact CG2-CD1 4.39Å; I306-V322 HydrophobicContact CB-CG2 4.48Å; I306-V322 HydrophobicContact CG1-CG2 3.93Å
307	S	92.4	Very high	88.4	Confident	23 Å²	23	41.5 Å²	41.5	16%	0.161	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-34.7	177.6	53.8	0	0	0	0	113.9	L17 V257 A321	L17-S307 VanDerWaalsContact O-CB 3.26Å; L17-S307 WeakPolarHBondContact O-CB 3.49Å; L17-S307 PolarHBondContact O-OG 3.41Å; V257-S307 WeakPolarHBondContact CG1-O 3.33Å; S307-A321 PolarHBondContact N-O 3.05Å; S307-A321 WeakPolarHBondContact OG-CB 3.29Å; S307-A321 PolarHBondContact OG-O 2.79Å
308	A	92.4	Very high	88.8	Confident	18 Å²	18	40.8 Å²	40.8	15%	0.149	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	160.6	-178.5	0	0	0	0	0	112.4	V20 A321	V20-A308 HydrophobicContact CG1-CB 3.86Å; A308-A321 HydrophobicContact CB-CB 4.3Å; A308-A321 PolarHBondContact O-N 3.01Å
309	L	95.3	Very high	89	Confident	14 Å²	14	37.8 Å²	37.8	7%	0.073	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.1	173.6	66.3	134.2	0	0	0	111	G258 Q260 A269 A271 I318 A319 L320	G258-L309 WeakPolarHBondContact O-CD2 3.17Å; Q260-L309 HydrophobicContact CB-CD1 3.57Å; Q260-L309 HydrophobicContact CB-CG 4.24Å; A269-L309 HydrophobicContact CB-CD1 3.66Å; A271-L309 HydrophobicContact CB-CD2 3.62Å; L309-I318 HydrophobicContact CB-CD1 4.26Å; L309-I318 HydrophobicContact CD1-CD1 3.85Å; L309-A319 CarbonylContact C-O 3.5Å; L309-A319 WeakPolarHBondContact CA-O 3.31Å; L309-L320 HydrophobicContact CB-CD2 3.64Å
310	S	94.2	Very high	89.2	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	138.6	169.8	-164.6	0	0	0	0	114.1	W22 I318 A319	W22-S310 WeakPolarHBondContact CB-OG 3.4Å; W22-S310 PolarHBondContact N-OG 2.77Å; S310-I318 CarbonylContact O-C 3.59Å; S310-I318 WeakPolarHBondContact O-CA 3.22Å; S310-I318 WeakPolarHBondContact O-CG1 3.36Å; S310-A319 PolarHBondContact N-O 3.35Å; S310-A319 PolarHBondContact O-N 3.04Å
311	W	92.6	Very high	89.4	Confident	1 Å²	1	29.7 Å²	29.7	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.3	177.1	-69.1	95.7	0	0	0	114.5	W22 Q260 W261 N262 H263 V267 A269 F288 G315 I318 I331	W22-W311 WeakPolarHBondContact CB-O 3.28Å; Q260-W311 PolarHBondContact O-NE1 2.86Å; Q260-W311 VanDerWaalsContact OE1-CD1 3.28Å; W261-W311 VanDerWaalsContact O-CD1 3.26Å; N262-W311 HydrophobicContact CB-CD2 3.66Å; N262-W311 HydrophobicContact CB-CE3 3.73Å; N262-W311 HydrophobicContact CB-CG 4.14Å; N262-W311 HydrophobicContact CB-CH2 4.03Å; N262-W311 HydrophobicContact CB-CZ2 3.99Å; N262-W311 HydrophobicContact CB-CZ3 3.85Å; H263-W311 PolarHBondContact NE2-O 3.36Å; H263-W311 VanDerWaalsContact NE2-O 3.09Å; V267-W311 HydrophobicContact CB-CH2 4.07Å; V267-W311 HydrophobicContact CB-CZ2 4.36Å; V267-W311 HydrophobicContact CG1-CH2 3.85Å; V267-W311 HydrophobicContact CG1-CZ2 4.06Å; A269-W311 HydrophobicContact CB-CZ2 3.57Å; F288-W311 HydrophobicContact CD1-CH2 4.05Å; F288-W311 HydrophobicContact CD1-CZ2 4.16Å; F288-W311 AromaticContact CE1-CH2 3.9Å; F288-W311 HydrophobicContact CE1-CH2 3.9Å; F288-W311 HydrophobicContact CE1-CZ2 4.04Å; W311-G315 VanDerWaalsContact CZ3-O 3.31Å; W311-G315 WeakPolarHBondContact CZ3-O 3.43Å; W311-I318 HydrophobicContact CD2-CD1 4.32Å; W311-I318 HydrophobicContact CD2-CG1 4.47Å; W311-I318 HydrophobicContact CE3-CB 4.42Å; W311-I318 HydrophobicContact CZ2-CD1 4.3Å; W311-I331 HydrophobicContact CE3-CD1 3.95Å; W311-I331 HydrophobicContact CH2-CD1 3.37Å; W311-I331 HydrophobicContact CZ3-CD1 3.03Å; W311-I331 HydrophobicContact CZ3-CG1 4.44Å
312	E	90.4	Very high	89.5	Confident	37 Å²	37	29.3 Å²	29.3	17%	0.173	18%	0.175	C	C	.	.			trans	-64.1	148.8	164.5	-178.8	-175.6	-134.5	0	0	110.2	W22 H263 G314 G315 K317	W22-E312 HydrophobicContact CD2-CB 4.01Å; W22-E312 HydrophobicContact CE3-CB 3.94Å; W22-E312 HydrophobicContact CH2-CB 3.75Å; W22-E312 HydrophobicContact CH2-CG 4.09Å; W22-E312 HydrophobicContact CZ2-CB 3.79Å; W22-E312 HydrophobicContact CZ2-CG 3.75Å; W22-E312 HydrophobicContact CZ3-CB 3.82Å; H263-E312 PolarHBondContact CD2-O 3.1Å; E312-G314 VanDerWaalsContact C-N 3.28Å; E312-G314 PolarHBondContact O-N 3.27Å; E312-G314 VanDerWaalsContact O-N 3.11Å; E312-G315 PolarHBondContact O-N 3.35Å; E312-K317 HydrophobicContact CB-CB 3.89Å; E312-K317 WeakPolarHBondContact CB-O 3.46Å; E312-K317 PolarHBondContact N-O 3.23Å; E312-K317 IonicContact OE1-NZ 3.84Å; E312-K317 PolarHBondContact OE1-NZ 3.2Å; E312-K317 VanDerWaalsContact OE2-CB 3.3Å; E312-K317 WeakPolarHBondContact OE2-CB 3.3Å; E312-K317 WeakPolarHBondContact OE2-CG 3.48Å; E312-K317 PolarHBondContact OE2-N 3.08Å; E312-K317 IonicContact OE2-NZ 2.73Å
313	G	80.3	Confident	89.6	Confident	15 Å²	15	27.4 Å²	27.4	16%	0.155	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-40.1	-176.6	0	0	0	0	0	116.3	K24 H263 G315	K24-G313 WeakPolarHBondContact O-CA 3.37Å; H263-G313 VanDerWaalsContact CD2-CA 3.49Å; H263-G313 WeakPolarHBondContact CD2-CA 3.09Å; H263-G313 PolarHBondContact CD2-O 2.84Å; G313-G315 VanDerWaalsContact C-N 3.29Å; G313-G315 PolarHBondContact O-N 2.97Å
314	G	75.9	Confident	89.9	Confident	47 Å²	47	25.9 Å²	25.9	49%	0.485	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-3.7	177.4	0	0	0	0	0	115.2	M264 E312 L316	M264-G314 WeakPolarHBondContact CE-O 3.4Å; E312-G314 VanDerWaalsContact C-N 3.28Å; E312-G314 PolarHBondContact O-N 3.27Å; E312-G314 VanDerWaalsContact O-N 3.11Å; G314-L316 PolarHBondContact O-N 2.87Å
315	G	83.2	Confident	90.2	Very high	3 Å²	3	19.7 Å²	19.7	3%	0.031	12%	0.117	C	C	.	.	S	Bend	trans	69.7	9.9	-179.2	0	0	0	0	0	115.2	W311 E312 G313	W311-G315 VanDerWaalsContact CZ3-O 3.31Å; W311-G315 WeakPolarHBondContact CZ3-O 3.43Å; E312-G315 PolarHBondContact O-N 3.35Å; G313-G315 VanDerWaalsContact C-N 3.29Å; G313-G315 PolarHBondContact O-N 2.97Å
316	L	85.3	Confident	90.4	Very high	31 Å²	31	15.8 Å²	15.8	16%	0.162	10%	0.099	C	C	.	.	S	Bend	trans	-97.8	-6.9	-179.4	-59.8	-177	0	0	0	113.5	G314 I331 P333 D649	G314-L316 PolarHBondContact O-N 2.87Å; L316-I331 PolarHBondContact O-N 3.15Å; L316-P333 HydrophobicContact CD2-CG 3.37Å; L316-D649 HydrophobicContact CD1-CB 3.92Å
317	K	88.6	Confident	90.4	Very high	52 Å²	52	16.8 Å²	16.8	23%	0.226	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	153.7	173	-58.7	-174.4	-157.9	117.2	0	111.4	W22 E312 A329 N330	W22-K317 HydrophobicContact CH2-CB 4.1Å; W22-K317 HydrophobicContact CH2-CD 4.42Å; W22-K317 HydrophobicContact CZ3-CB 4.17Å; E312-K317 HydrophobicContact CB-CB 3.89Å; E312-K317 WeakPolarHBondContact CB-O 3.46Å; E312-K317 PolarHBondContact N-O 3.23Å; E312-K317 IonicContact OE1-NZ 3.84Å; E312-K317 PolarHBondContact OE1-NZ 3.2Å; E312-K317 VanDerWaalsContact OE2-CB 3.3Å; E312-K317 WeakPolarHBondContact OE2-CB 3.3Å; E312-K317 WeakPolarHBondContact OE2-CG 3.48Å; E312-K317 PolarHBondContact OE2-N 3.08Å; E312-K317 IonicContact OE2-NZ 2.73Å; K317-A329 CarbonylContact C-O 3.54Å; K317-A329 VanDerWaalsContact CA-O 3.26Å; K317-A329 WeakPolarHBondContact CA-O 3.48Å; K317-N330 VanDerWaalsContact CD-OD1 3.31Å; K317-N330 WeakPolarHBondContact CD-OD1 3.42Å; K317-N330 VanDerWaalsContact CG-OD1 3.29Å; K317-N330 WeakPolarHBondContact CG-OD1 3.17Å
318	I	92.3	Very high	90.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136.8	175.2	-169.2	170.4	0	0	0	109.4	A269 F288 L309 S310 W311 L320 F328 A329 I331	A269-I318 HydrophobicContact CB-CD1 3.78Å; F288-I318 HydrophobicContact CE1-CD1 4.33Å; L309-I318 HydrophobicContact CB-CD1 4.26Å; L309-I318 HydrophobicContact CD1-CD1 3.85Å; S310-I318 CarbonylContact O-C 3.59Å; S310-I318 WeakPolarHBondContact O-CA 3.22Å; S310-I318 WeakPolarHBondContact O-CG1 3.36Å; W311-I318 HydrophobicContact CD2-CD1 4.32Å; W311-I318 HydrophobicContact CD2-CG1 4.47Å; W311-I318 HydrophobicContact CE3-CB 4.42Å; W311-I318 HydrophobicContact CZ2-CD1 4.3Å; I318-L320 HydrophobicContact CD1-CD2 4.2Å; I318-L320 HydrophobicContact CG1-CD2 4.21Å; I318-F328 WeakPolarHBondContact O-CA 3.42Å; I318-A329 HydrophobicContact CG2-CB 3.68Å; I318-A329 PolarHBondContact N-O 3.29Å; I318-A329 PolarHBondContact O-N 3Å; I318-I331 HydrophobicContact CB-CD1 4.36Å; I318-I331 HydrophobicContact CG2-CD1 4.18Å
319	A	93.2	Very high	90.1	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.3	171.5	0	0	0	0	0	109.2	V20 W22 L309 S310 I326 Y327 F328	V20-A319 HydrophobicContact CG2-CB 4.38Å; W22-A319 HydrophobicContact CE3-CB 3.66Å; W22-A319 HydrophobicContact CZ3-CB 3.88Å; L309-A319 CarbonylContact C-O 3.5Å; L309-A319 WeakPolarHBondContact CA-O 3.31Å; S310-A319 PolarHBondContact N-O 3.35Å; S310-A319 PolarHBondContact O-N 3.04Å; A319-I326 HydrophobicContact CB-CG2 4.26Å; A319-Y327 CarbonylContact C-O 3.58Å; A319-Y327 WeakPolarHBondContact CA-O 3.32Å; A319-F328 HydrophobicContact CB-CD1 4.14Å; A319-F328 HydrophobicContact CB-CE1 3.87Å
320	L	94.6	Very high	89.8	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	121.9	-178.7	-58.5	172.1	0	0	0	108.8	V286 L299 V301 L309 I318 V322 I326 Y327	V286-L320 HydrophobicContact CG2-CD1 3.86Å; V286-L320 HydrophobicContact CG2-CD2 3.95Å; L299-L320 HydrophobicContact CD2-CD1 4.46Å; V301-L320 HydrophobicContact CG1-CD1 4.33Å; V301-L320 HydrophobicContact CG2-CD1 3.71Å; L309-L320 HydrophobicContact CB-CD2 3.64Å; I318-L320 HydrophobicContact CD1-CD2 4.2Å; I318-L320 HydrophobicContact CG1-CD2 4.21Å; L320-V322 HydrophobicContact CB-CG2 4.22Å; L320-I326 CarbonylContact O-C 3.6Å; L320-I326 WeakPolarHBondContact O-CA 3.42Å; L320-Y327 PolarHBondContact N-O 3.22Å; L320-Y327 PolarHBondContact O-N 3.29Å
321	A	94.1	Very high	89.5	Confident	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	117.4	171.4	0	0	0	0	0	108.9	L17 V20 S307 A308	L17-A321 HydrophobicContact CB-CB 3.98Å; L17-A321 HydrophobicContact CD1-CB 4.21Å; V20-A321 HydrophobicContact CB-CB 4.16Å; V20-A321 HydrophobicContact CG1-CB 3.98Å; S307-A321 PolarHBondContact N-O 3.05Å; S307-A321 WeakPolarHBondContact OG-CB 3.29Å; S307-A321 PolarHBondContact OG-O 2.79Å; A308-A321 HydrophobicContact CB-CB 4.3Å; A308-A321 PolarHBondContact O-N 3.01Å
322	V	93.2	Very high	89.2	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	112.9	-177.7	-171.8	0	0	0	0	108.5	V301 E305 I306 L320 S324 F325 Y327	V301-V322 HydrophobicContact CG1-CG2 3.89Å; E305-V322 WeakPolarHBondContact O-CA 3.27Å; E305-V322 WeakPolarHBondContact O-CG1 3.41Å; I306-V322 HydrophobicContact CB-CG2 4.48Å; I306-V322 HydrophobicContact CG1-CG2 3.93Å; L320-V322 HydrophobicContact CB-CG2 4.22Å; V322-S324 PolarHBondContact O-N 2.84Å; V322-S324 VanDerWaalsContact O-N 3.15Å; V322-F325 PolarHBondContact N-O 3.14Å; V322-F325 WeakPolarHBondContact O-CA 3.27Å; V322-F325 WeakPolarHBondContact O-CB 3.45Å; V322-F325 PolarHBondContact O-N 3.23Å; V322-Y327 HydrophobicContact CB-CD2 3.84Å; V322-Y327 HydrophobicContact CB-CE2 3.91Å; V322-Y327 HydrophobicContact CG1-CE2 4.32Å; V322-Y327 HydrophobicContact CG2-CD2 3.77Å; V322-Y327 HydrophobicContact CG2-CE2 4.27Å
323	D	91	Very high	88.9	Confident	29 Å²	29	15.3 Å²	15.3	16%	0.155	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	-116.4	-172.4	-55.5	-47.4	0	0	0	111.9	K16 L17 K304 E305	K16-D323 WeakPolarHBondContact CA-O 3.49Å; L17-D323 PolarHBondContact N-O 2.69Å; K304-D323 WeakPolarHBondContact CB-OD2 3.37Å; K304-D323 PolarHBondContact N-OD2 3.11Å; E305-D323 PolarHBondContact N-OD1 3.38Å; E305-D323 PolarHBondContact O-N 2.89Å
324	S	91.5	Very high	89.1	Confident	10 Å²	10	20.9 Å²	20.9	7%	0.07	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	18.2	177	60.7	0	0	0	0	113.8	I11 V15 V322	I11-S324 WeakPolarHBondContact CB-O 3.28Å; I11-S324 WeakPolarHBondContact CG1-O 3.39Å; I11-S324 PolarHBondContact N-O 3.09Å; V15-S324 WeakPolarHBondContact O-CA 3.27Å; V15-S324 VanDerWaalsContact O-CB 3.29Å; V15-S324 WeakPolarHBondContact O-CB 3.47Å; V322-S324 PolarHBondContact O-N 2.84Å; V322-S324 VanDerWaalsContact O-N 3.15Å
325	F	92.8	Very high	89.7	Confident	49 Å²	49	20.9 Å²	20.9	22%	0.215	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.9	-175.2	-56.6	-75	0	0	0	112.5	K8 I9 V322 Y327	K8-F325 HydrophobicContact CD-CD1 4.13Å; K8-F325 HydrophobicContact CD-CG 4.41Å; K8-F325 HydrophobicContact CG-CB 4.27Å; K8-F325 HydrophobicContact CG-CD1 4.12Å; K8-F325 HydrophobicContact CG-CG 4.42Å; I9-F325 CarbonylContact O-C 3.5Å; I9-F325 VanDerWaalsContact O-CA 3.29Å; I9-F325 WeakPolarHBondContact O-CA 3.09Å; V322-F325 PolarHBondContact N-O 3.14Å; V322-F325 WeakPolarHBondContact O-CA 3.27Å; V322-F325 WeakPolarHBondContact O-CB 3.45Å; V322-F325 PolarHBondContact O-N 3.23Å; F325-Y327 HydrophobicContact CB-CD2 4.26Å; F325-Y327 HydrophobicContact CB-CE2 3.88Å
326	I	92.1	Very high	90.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.5	166	-53.8	174.4	0	0	0	107.5	K8 I9 I11 L17 C31 L41 A319 L320 F328	K8-I326 CarbonylContact C-O 3.57Å; K8-I326 WeakPolarHBondContact CA-O 3.37Å; I9-I326 HydrophobicContact CB-CB 4.38Å; I9-I326 PolarHBondContact N-O 3.01Å; I9-I326 PolarHBondContact O-N 3.37Å; I11-I326 HydrophobicContact CD1-CD1 4.22Å; L17-I326 HydrophobicContact CD1-CD1 4.1Å; L17-I326 HydrophobicContact CD1-CG1 3.46Å; L17-I326 VanDerWaalsContact CD1-CG1 3.46Å; C31-I326 HydrophobicContact CB-CD1 3.91Å; L41-I326 HydrophobicContact CD1-CD1 3.88Å; A319-I326 HydrophobicContact CB-CG2 4.26Å; L320-I326 CarbonylContact O-C 3.6Å; L320-I326 WeakPolarHBondContact O-CA 3.42Å; I326-F328 HydrophobicContact CB-CE2 4.41Å; I326-F328 HydrophobicContact CG2-CD2 4.5Å; I326-F328 HydrophobicContact CG2-CE1 4.34Å; I326-F328 HydrophobicContact CG2-CE2 3.8Å; I326-F328 HydrophobicContact CG2-CZ 3.72Å
327	Y	92.3	Very high	90.5	Very high	21 Å²	21	24.7 Å²	24.7	8%	0.082	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	140.3	171.3	-72.1	-86.6	0	0	0	110.1	L5 K8 V301 P302 A319 L320 V322 F325	L5-Y327 HydrophobicContact CD2-CD1 4.5Å; K8-Y327 HydrophobicContact CB-CD1 4.07Å; K8-Y327 HydrophobicContact CB-CE1 4.02Å; K8-Y327 HydrophobicContact CD-CD1 4.42Å; K8-Y327 HydrophobicContact CD-CE1 3.59Å; K8-Y327 WeakPolarHBondContact CE-OH 3.38Å; K8-Y327 HydrophobicContact CG-CD1 4.14Å; K8-Y327 HydrophobicContact CG-CE1 3.79Å; K8-Y327 PolarHBondContact NZ-OH 3.45Å; V301-Y327 HydrophobicContact CG1-CD2 4.18Å; V301-Y327 HydrophobicContact CG1-CG 4.34Å; P302-Y327 VanDerWaalsContact O-CE2 3.23Å; P302-Y327 WeakPolarHBondContact O-CE2 3.43Å; P302-Y327 PolarHBondContact O-OH 3.31Å; P302-Y327 VanDerWaalsContact O-OH 3.11Å; A319-Y327 CarbonylContact C-O 3.58Å; A319-Y327 WeakPolarHBondContact CA-O 3.32Å; L320-Y327 PolarHBondContact N-O 3.22Å; L320-Y327 PolarHBondContact O-N 3.29Å; V322-Y327 HydrophobicContact CB-CD2 3.84Å; V322-Y327 HydrophobicContact CB-CE2 3.91Å; V322-Y327 HydrophobicContact CG1-CE2 4.32Å; V322-Y327 HydrophobicContact CG2-CD2 3.77Å; V322-Y327 HydrophobicContact CG2-CE2 4.27Å; F325-Y327 HydrophobicContact CB-CD2 4.26Å; F325-Y327 HydrophobicContact CB-CE2 3.88Å
328	F	90.5	Very high	90.7	Very high	4 Å²	4	23.4 Å²	23.4	2%	0.018	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	129.9	171.1	-64.2	-85.6	0	0	0	108.9	T6 K7 I9 W22 I29 L43 I318 A319 I326	T6-F328 PolarHBondContact N-O 3.25Å; T6-F328 PolarHBondContact OG1-O 3.33Å; K7-F328 HydrophobicContact CB-CB 4.32Å; K7-F328 HydrophobicContact CB-CD2 4.01Å; K7-F328 HydrophobicContact CG-CD2 4.35Å; K7-F328 PolarHBondContact O-N 2.87Å; I9-F328 HydrophobicContact CD1-CE2 3.54Å; I9-F328 HydrophobicContact CD1-CZ 4.04Å; I9-F328 HydrophobicContact CG1-CE2 3.87Å; W22-F328 AromaticContact CH2-CD1 3.84Å; W22-F328 HydrophobicContact CH2-CD1 3.84Å; W22-F328 AromaticContact CH2-CE1 3.81Å; W22-F328 HydrophobicContact CH2-CE1 3.81Å; W22-F328 AromaticContact CZ3-CD1 3.76Å; W22-F328 HydrophobicContact CZ3-CD1 3.76Å; W22-F328 AromaticContact CZ3-CE1 3.77Å; W22-F328 HydrophobicContact CZ3-CE1 3.77Å; I29-F328 HydrophobicContact CD1-CE1 3.6Å; I29-F328 HydrophobicContact CD1-CZ 3.77Å; L43-F328 HydrophobicContact CD1-CD1 4.3Å; L43-F328 HydrophobicContact CD1-CE1 3.92Å; L43-F328 HydrophobicContact CD1-CZ 4.29Å; I318-F328 WeakPolarHBondContact O-CA 3.42Å; A319-F328 HydrophobicContact CB-CD1 4.14Å; A319-F328 HydrophobicContact CB-CE1 3.87Å; I326-F328 HydrophobicContact CB-CE2 4.41Å; I326-F328 HydrophobicContact CG2-CD2 4.5Å; I326-F328 HydrophobicContact CG2-CE1 4.34Å; I326-F328 HydrophobicContact CG2-CE2 3.8Å; I326-F328 HydrophobicContact CG2-CZ 3.72Å
329	A	89.9	Confident	90.7	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	136.1	168.6	0	0	0	0	0	109.7	Y4 L5 L299 K317 I318	Y4-A329 CarbonylContact O-C 3.53Å; Y4-A329 VanDerWaalsContact O-CA 3.28Å; Y4-A329 WeakPolarHBondContact O-CA 3.16Å; L5-A329 HydrophobicContact CD2-CB 4Å; L299-A329 HydrophobicContact CD2-CB 3.39Å; K317-A329 CarbonylContact C-O 3.54Å; K317-A329 VanDerWaalsContact CA-O 3.26Å; K317-A329 WeakPolarHBondContact CA-O 3.48Å; I318-A329 HydrophobicContact CG2-CB 3.68Å; I318-A329 PolarHBondContact N-O 3.29Å; I318-A329 PolarHBondContact O-N 3Å
330	N	87.6	Confident	90.5	Very high	21 Å²	21	24.7 Å²	24.7	11%	0.112	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	148.2	171.1	-76.1	14.1	0	0	0	109.5	Y4 T6 K317	Y4-N330 HydrophobicContact CD1-CB 4.29Å; Y4-N330 HydrophobicContact CE1-CB 3.69Å; Y4-N330 HydrophobicContact CE2-CB 4.12Å; Y4-N330 PolarHBondContact N-O 2.95Å; Y4-N330 VanDerWaalsContact N-O 3.11Å; Y4-N330 PolarHBondContact O-N 2.97Å; Y4-N330 PolarHBondContact OH-ND2 3.16Å; T6-N330 HydrophobicContact CG2-CB 3.82Å; T6-N330 WeakPolarHBondContact CG2-ND2 3.24Å; T6-N330 PolarHBondContact OG1-OD1 3.43Å; K317-N330 VanDerWaalsContact CD-OD1 3.31Å; K317-N330 WeakPolarHBondContact CD-OD1 3.42Å; K317-N330 VanDerWaalsContact CG-OD1 3.29Å; K317-N330 WeakPolarHBondContact CG-OD1 3.17Å
331	I	87.5	Confident	89.9	Confident	3 Å²	3	27.2 Å²	27.2	2%	0.015	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.8	-175.1	-56.8	176.6	0	0	0	106.5	M1 F3 F288 W311 L316 I318 P333	M1-I331 HydrophobicContact CE-CG2 4.25Å; M1-I331 HydrophobicContact CG-CG2 3.94Å; M1-I331 HydrophobicContact SD-CG2 3.54Å; M1-I331 VanDerWaalsContact SD-CG2 3.54Å; F3-I331 HydrophobicContact CD1-CB 4.38Å; F3-I331 HydrophobicContact CD1-CD1 4.39Å; F3-I331 HydrophobicContact CD1-CG1 3.89Å; F3-I331 HydrophobicContact CD1-CG2 3.98Å; F3-I331 HydrophobicContact CE1-CD1 4.46Å; F3-I331 HydrophobicContact CE1-CG1 4.27Å; F3-I331 HydrophobicContact CE1-CG2 3.71Å; F288-I331 HydrophobicContact CE1-CD1 4.05Å; F288-I331 HydrophobicContact CZ-CD1 4.43Å; W311-I331 HydrophobicContact CE3-CD1 3.95Å; W311-I331 HydrophobicContact CH2-CD1 3.37Å; W311-I331 HydrophobicContact CZ3-CD1 3.03Å; W311-I331 HydrophobicContact CZ3-CG1 4.44Å; L316-I331 PolarHBondContact O-N 3.15Å; I318-I331 HydrophobicContact CB-CD1 4.36Å; I318-I331 HydrophobicContact CG2-CD1 4.18Å; I331-P333 WeakPolarHBondContact O-CD 3.21Å
332	R	86.3	Confident	89.6	Confident	19 Å²	19	30.1 Å²	30.1	7%	0.072	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	99.8	177.8	-69.6	-73.3	172	-162.2	-12.3	108.3	M1 F2 Y4 D649	M1-R332 WeakPolarHBondContact CG-O 3.45Å; F2-R332 HydrophobicContact CB-CB 4.17Å; F2-R332 PolarHBondContact N-O 2.85Å; F2-R332 PolarHBondContact O-N 2.85Å; Y4-R332 HydrophobicContact CE1-CG 3.92Å; R332-D649 IonicContact CZ-OD2 2.7Å; R332-D649 IonicContact NH1-OD2 2.71Å; R332-D649 PolarHBondContact NH1-OD2 2.82Å
333	P	84.2	Confident	89.6	Confident	17 Å²	17	30.3 Å²	30.3	11%	0.11	15%	0.153	C	C	.	.			trans	-60.7	147.3	178.3	-23.1	35.4	0	0	0	111.4	M1 L316 I331 Y335 Y634	M1-P333 HydrophobicContact CE-CB 3.94Å; M1-P333 HydrophobicContact CE-CG 4.31Å; L316-P333 HydrophobicContact CD2-CG 3.37Å; I331-P333 WeakPolarHBondContact O-CD 3.21Å; P333-Y335 HydrophobicContact CB-CD1 3.87Å; P333-Y335 HydrophobicContact CB-CD2 4.49Å; P333-Y335 HydrophobicContact CB-CE1 3.49Å; P333-Y335 VanDerWaalsContact CB-CE1 3.49Å; P333-Y335 HydrophobicContact CB-CE2 4.19Å; P333-Y335 HydrophobicContact CB-CG 4.36Å; P333-Y335 HydrophobicContact CG-CE1 3.81Å; P333-Y335 HydrophobicContact CG-CE2 4.36Å; P333-Y335 PolarHBondContact O-N 2.93Å; P333-Y634 PolarHBondContact O-OH 3Å
334	N	85	Confident	89.8	Confident	133 Å²	133	29 Å²	29	71%	0.711	15%	0.146	S	C	*	.			trans	-89	83.3	167.4	-170.2	21.1	0	0	0	108
335	Y	88.8	Confident	89.9	Confident	46 Å²	46	28.5 Å²	28.5	18%	0.18	14%	0.143	C	C	.	.			trans	-65.2	148.6	178.6	-58.6	-60	0	0	0	110.9	P333 W337 Y634 L648 D649 L652	P333-Y335 HydrophobicContact CB-CD1 3.87Å; P333-Y335 HydrophobicContact CB-CD2 4.49Å; P333-Y335 HydrophobicContact CB-CE1 3.49Å; P333-Y335 VanDerWaalsContact CB-CE1 3.49Å; P333-Y335 HydrophobicContact CB-CE2 4.19Å; P333-Y335 HydrophobicContact CB-CG 4.36Å; P333-Y335 HydrophobicContact CG-CE1 3.81Å; P333-Y335 HydrophobicContact CG-CE2 4.36Å; P333-Y335 PolarHBondContact O-N 2.93Å; Y335-W337 PolarHBondContact O-N 3.07Å; Y335-W337 VanDerWaalsContact O-N 3.08Å; Y335-Y634 HydrophobicContact CD2-CE1 4.5Å; Y335-Y634 HydrophobicContact CD2-CE2 4.32Å; Y335-Y634 AromaticContact CD2-CZ 3.95Å; Y335-Y634 HydrophobicContact CE2-CE2 4.14Å; Y335-Y634 AromaticContact CE2-CZ 3.94Å; Y335-Y634 WeakPolarHBondContact CE2-OH 3.33Å; Y335-L648 HydrophobicContact CD2-CB 3.69Å; Y335-L648 HydrophobicContact CD2-CD1 3.78Å; Y335-L648 HydrophobicContact CD2-CG 4.38Å; Y335-L648 HydrophobicContact CE2-CB 3.79Å; Y335-D649 WeakPolarHBondContact CE2-OD1 3.47Å; Y335-D649 PolarHBondContact OH-OD1 3.29Å; Y335-L652 HydrophobicContact CD1-CD1 3.14Å; Y335-L652 HydrophobicContact CD2-CD1 3.8Å; Y335-L652 HydrophobicContact CE1-CD1 3.09Å; Y335-L652 HydrophobicContact CE2-CD1 3.73Å; Y335-L652 HydrophobicContact CG-CD1 3.51Å
336	K	90.9	Very high	90	Very high	73 Å²	73	26.2 Å²	26.2	32%	0.317	13%	0.133	S	C	.	.	S	Bend	trans	-78.4	91.4	169.3	-65.2	175.3	-172.6	170.9	0	107.6	A347 H356 L376 I377 I379	K336-A347 HydrophobicContact CB-CB 4.15Å; K336-A347 PolarHBondContact O-N 2.82Å; K336-H356 PolarHBondContact NZ-NE2 3.03Å; K336-L376 HydrophobicContact CD-CD2 4.05Å; K336-L376 HydrophobicContact CD-CG 4.32Å; K336-L376 PolarHBondContact NZ-O 2.83Å; K336-I377 WeakPolarHBondContact CE-O 3.38Å; K336-I379 HydrophobicContact CB-CD1 4.42Å; K336-I379 HydrophobicContact CB-CG1 4.5Å
337	W	93.9	Very high	90.1	Very high	42 Å²	42	26.8 Å²	26.8	16%	0.159	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	162.5	-177.2	83.2	-76.9	0	0	0	112.3	Y335 V345 Y634 V646 L648	Y335-W337 PolarHBondContact O-N 3.07Å; Y335-W337 VanDerWaalsContact O-N 3.08Å; W337-V345 CarbonylContact C-O 3.59Å; W337-V345 WeakPolarHBondContact CA-O 3.5Å; W337-V345 WeakPolarHBondContact CB-O 3.41Å; W337-Y634 HydrophobicContact CZ2-CD1 4.29Å; W337-Y634 HydrophobicContact CZ2-CG 4.26Å; W337-Y634 AromaticContact NE1-CD1 3.98Å; W337-V646 HydrophobicContact CE3-CG1 4.18Å; W337-V646 HydrophobicContact CH2-CG1 3.92Å; W337-V646 HydrophobicContact CZ3-CG1 3.62Å; W337-L648 HydrophobicContact CB-CD1 4.22Å; W337-L648 HydrophobicContact CB-CD2 4.43Å; W337-L648 HydrophobicContact CD2-CD1 3.45Å; W337-L648 VanDerWaalsContact CD2-CD1 3.45Å; W337-L648 HydrophobicContact CD2-CD2 4.23Å; W337-L648 HydrophobicContact CD2-CG 4.39Å; W337-L648 VanDerWaalsContact CE2-CD1 3.49Å; W337-L648 HydrophobicContact CE3-CD1 4.17Å; W337-L648 HydrophobicContact CE3-CD2 4.27Å; W337-L648 HydrophobicContact CG-CD1 3.41Å; W337-L648 VanDerWaalsContact CG-CD1 3.41Å; W337-L648 HydrophobicContact CG-CD2 4.28Å; W337-L648 HydrophobicContact CG-CG 4.49Å; W337-L648 HydrophobicContact CZ2-CD1 4.24Å
338	S	93	Very high	89.9	Confident	24 Å²	24	27 Å²	27	17%	0.168	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	176.9	172.2	-140.9	0	0	0	0	111.9	V345 T381	S338-V345 PolarHBondContact N-O 2.8Å; S338-V345 PolarHBondContact O-N 2.76Å; S338-T381 WeakPolarHBondContact CB-OG1 3.48Å; S338-T381 PolarHBondContact OG-N 3.35Å; S338-T381 PolarHBondContact OG-OG1 3.38Å
339	Y	92.5	Very high	89.5	Confident	26 Å²	26	29.3 Å²	29.3	10%	0.102	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	128	-178.1	177.9	-102.9	0	0	0	111.5	N342 T343 V344 T381 C636 N637 K644	Y339-N342 WeakPolarHBondContact OH-CA 3.46Å; Y339-N342 PolarHBondContact OH-OD1 2.72Å; Y339-T343 WeakPolarHBondContact CA-O 3.27Å; Y339-T343 VanDerWaalsContact CD2-O 3.3Å; Y339-T343 WeakPolarHBondContact CD2-O 3.31Å; Y339-V344 HydrophobicContact CD2-CG2 3.91Å; Y339-V344 HydrophobicContact CE2-CG2 4.32Å; Y339-T381 VanDerWaalsContact C-OG1 3.32Å; Y339-T381 PolarHBondContact N-OG1 2.89Å; Y339-T381 PolarHBondContact O-OG1 3.23Å; Y339-C636 HydrophobicContact CD1-CB 3.9Å; Y339-C636 HydrophobicContact CD2-CB 4.18Å; Y339-C636 HydrophobicContact CE1-CB 4.37Å; Y339-C636 HydrophobicContact CG-CB 3.79Å; Y339-N637 HydrophobicContact CD1-CB 4.25Å; Y339-N637 HydrophobicContact CE1-CB 3.96Å; Y339-K644 HydrophobicContact CE1-CD 4.44Å; Y339-K644 HydrophobicContact CE2-CD 4.21Å; Y339-K644 WeakPolarHBondContact OH-CD 3.24Å; Y339-K644 PolarHBondContact OH-NZ 3.23Å
340	C	89.1	Confident	88.9	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	131	-179.4	62.3	0	0	0	0	111.1	N342 T343 T381 G383	C340-N342 PolarHBondContact O-N 2.78Å; C340-T343 PolarHBondContact N-O 3.31Å; C340-T343 WeakPolarHBondContact O-CA 3.45Å; C340-T343 WeakPolarHBondContact O-CB 3.39Å; C340-T343 PolarHBondContact O-N 2.74Å; C340-T381 HydrophobicContact CB-CG2 3.72Å; C340-G383 WeakPolarHBondContact CA-O 3.45Å; C340-G383 VanDerWaalsContact CB-O 3.25Å; C340-G383 WeakPolarHBondContact CB-O 3.46Å
341	S	82.2	Confident	88	Confident	52 Å²	52	35.2 Å²	35.2	36%	0.364	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	39.1	40.7	171.3	-61.8	0	0	0	0	118.1	G383 D384	S341-G383 PolarHBondContact N-O 3.29Å; S341-G383 PolarHBondContact OG-O 3.09Å; S341-G383 VanDerWaalsContact OG-O 3.09Å; S341-D384 WeakPolarHBondContact CB-OD1 3.27Å; S341-D384 WeakPolarHBondContact OG-CA 3.45Å; S341-D384 PolarHBondContact OG-OD1 3.4Å
342	N	88.4	Confident	87.3	Confident	62 Å²	62	40.1 Å²	40.1	33%	0.332	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	10.6	-174.1	-49.9	-65	0	0	0	116.9	Y339 C340 T363 K644	Y339-N342 WeakPolarHBondContact OH-CA 3.46Å; Y339-N342 PolarHBondContact OH-OD1 2.72Å; C340-N342 PolarHBondContact O-N 2.78Å; N342-T363 VanDerWaalsContact O-CB 3.26Å; N342-T363 WeakPolarHBondContact O-CB 3.44Å; N342-T363 VanDerWaalsContact O-CG2 3.27Å; N342-T363 WeakPolarHBondContact O-CG2 3.46Å; N342-T363 PolarHBondContact O-N 3.19Å; N342-T363 PolarHBondContact O-OG1 3.21Å; N342-K644 PolarHBondContact OD1-NZ 3.4Å
343	T	92.5	Very high	86.7	Confident	4 Å²	4	44 Å²	44	3%	0.025	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	126.8	166.9	-52.8	0	0	0	0	110.6	Y339 C340 V345 F360 W361 S417	Y339-T343 WeakPolarHBondContact CA-O 3.27Å; Y339-T343 VanDerWaalsContact CD2-O 3.3Å; Y339-T343 WeakPolarHBondContact CD2-O 3.31Å; C340-T343 PolarHBondContact N-O 3.31Å; C340-T343 WeakPolarHBondContact O-CA 3.45Å; C340-T343 WeakPolarHBondContact O-CB 3.39Å; C340-T343 PolarHBondContact O-N 2.74Å; T343-V345 HydrophobicContact CG2-CG2 4.03Å; T343-F360 HydrophobicContact CG2-CB 3.94Å; T343-F360 HydrophobicContact CG2-CD1 4.34Å; T343-W361 CarbonylContact C-O 3.54Å; T343-W361 WeakPolarHBondContact CA-O 3.38Å; T343-W361 WeakPolarHBondContact CG2-O 3.5Å; T343-S417 WeakPolarHBondContact CB-O 3.38Å; T343-S417 WeakPolarHBondContact CG2-O 3.16Å; T343-S417 PolarHBondContact OG1-O 2.87Å
344	V	94.3	Very high	86.1	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	123.9	163.5	-178.3	0	0	0	0	107.5	Y339 Y346 W361 T363 V646 L663	Y339-V344 HydrophobicContact CD2-CG2 3.91Å; Y339-V344 HydrophobicContact CE2-CG2 4.32Å; V344-Y346 HydrophobicContact CG1-CD1 4.08Å; V344-W361 HydrophobicContact CB-CE3 4.03Å; V344-W361 HydrophobicContact CG2-CE3 4.17Å; V344-W361 HydrophobicContact CG2-CZ3 4.4Å; V344-W361 PolarHBondContact N-O 2.91Å; V344-W361 PolarHBondContact O-N 3.09Å; V344-T363 HydrophobicContact CG2-CG2 3.73Å; V344-V646 HydrophobicContact CG1-CG2 4.44Å; V344-V646 HydrophobicContact CG2-CG2 4.47Å; V344-L663 HydrophobicContact CG2-CD2 4.05Å
345	V	95.2	Very high	86	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	122	176.2	-171.4	0	0	0	0	108.2	W337 S338 T343 V358 V359 F360 I379	W337-V345 CarbonylContact C-O 3.59Å; W337-V345 WeakPolarHBondContact CA-O 3.5Å; W337-V345 WeakPolarHBondContact CB-O 3.41Å; S338-V345 PolarHBondContact N-O 2.8Å; S338-V345 PolarHBondContact O-N 2.76Å; T343-V345 HydrophobicContact CG2-CG2 4.03Å; V345-V358 HydrophobicContact CG1-CG1 3.8Å; V345-V359 VanDerWaalsContact CA-O 3.26Å; V345-V359 WeakPolarHBondContact CA-O 3.23Å; V345-F360 HydrophobicContact CG1-CD1 4.16Å; V345-F360 HydrophobicContact CG1-CD2 4.43Å; V345-F360 HydrophobicContact CG1-CE1 3.95Å; V345-F360 HydrophobicContact CG1-CE2 4.21Å; V345-F360 HydrophobicContact CG1-CG 4.39Å; V345-F360 HydrophobicContact CG1-CZ 3.96Å; V345-F360 HydrophobicContact CG2-CD1 3.55Å; V345-F360 HydrophobicContact CG2-CE1 3.75Å; V345-F360 HydrophobicContact CG2-CG 4.25Å; V345-I379 HydrophobicContact CB-CG2 4.37Å; V345-I379 HydrophobicContact CG1-CD1 4.26Å; V345-I379 HydrophobicContact CG1-CG2 3.95Å
346	Y	94.6	Very high	85.9	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	154	178.6	62.1	-84.3	0	0	0	110.9	V344 Y348 V358 V359 W361 I651 L652 P655	V344-Y346 HydrophobicContact CG1-CD1 4.08Å; Y346-Y348 HydrophobicContact CD2-CD1 4.5Å; Y346-Y348 HydrophobicContact CE2-CD1 4.29Å; Y346-V358 WeakPolarHBondContact O-CA 3.18Å; Y346-V359 HydrophobicContact CD1-CB 4.25Å; Y346-V359 HydrophobicContact CD2-CB 4.42Å; Y346-V359 HydrophobicContact CE1-CB 3.77Å; Y346-V359 HydrophobicContact CE1-CG1 3.89Å; Y346-V359 HydrophobicContact CE2-CB 3.95Å; Y346-V359 HydrophobicContact CE2-CG2 3.87Å; Y346-V359 PolarHBondContact N-O 3Å; Y346-V359 VanDerWaalsContact N-O 3.09Å; Y346-V359 PolarHBondContact O-N 2.78Å; Y346-W361 HydrophobicContact CE1-CB 4.37Å; Y346-I651 HydrophobicContact CD1-CG2 4.44Å; Y346-I651 HydrophobicContact CD2-CG2 4.22Å; Y346-I651 HydrophobicContact CE1-CG2 4Å; Y346-I651 HydrophobicContact CE2-CG2 3.76Å; Y346-L652 HydrophobicContact CD2-CD2 4.17Å; Y346-P655 HydrophobicContact CE2-CB 4.04Å; Y346-P655 PolarHBondContact OH-O 2.9Å
347	A	92.6	Very high	85.9	Confident	11 Å²	11	38.7 Å²	38.7	9%	0.091	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.9	177.7	0	0	0	0	0	112.5	K336 C357 V358 L376 I379	K336-A347 HydrophobicContact CB-CB 4.15Å; K336-A347 PolarHBondContact O-N 2.82Å; A347-C357 VanDerWaalsContact CA-O 3.29Å; A347-C357 WeakPolarHBondContact CA-O 3.38Å; A347-V358 HydrophobicContact CB-CG2 4.17Å; A347-L376 HydrophobicContact CB-CD2 3.47Å; A347-L376 VanDerWaalsContact CB-CD2 3.47Å; A347-I379 HydrophobicContact CB-CD1 3.9Å
348	Y	88.3	Confident	85.9	Confident	26 Å²	26	36.7 Å²	36.7	10%	0.102	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	158.6	172.7	70.6	-75.9	0	0	0	110.2	Y346 R350 C357 V359 P655 E656	Y346-Y348 HydrophobicContact CD2-CD1 4.5Å; Y346-Y348 HydrophobicContact CE2-CD1 4.29Å; Y348-R350 HydrophobicContact CD2-CG 4.29Å; Y348-R350 HydrophobicContact CE2-CG 3.68Å; Y348-R350 PolarHBondContact OH-NE 2.87Å; Y348-R350 PolarHBondContact OH-NH2 2.72Å; Y348-C357 HydrophobicContact CD1-CB 3.83Å; Y348-C357 WeakPolarHBondContact CD1-O 3.34Å; Y348-C357 HydrophobicContact CE1-CB 3.45Å; Y348-C357 VanDerWaalsContact CE1-CB 3.45Å; Y348-C357 HydrophobicContact CE2-CB 4.22Å; Y348-C357 HydrophobicContact CG-CB 4.35Å; Y348-C357 PolarHBondContact N-O 2.91Å; Y348-C357 PolarHBondContact O-N 2.91Å; Y348-V359 HydrophobicContact CD1-CG2 4.28Å; Y348-V359 HydrophobicContact CE1-CG2 3.66Å; Y348-P655 HydrophobicContact CD1-CB 3.62Å; Y348-P655 HydrophobicContact CD1-CG 4.19Å; Y348-P655 HydrophobicContact CD2-CB 3.82Å; Y348-P655 HydrophobicContact CD2-CG 3.42Å; Y348-P655 VanDerWaalsContact CD2-CG 3.42Å; Y348-P655 HydrophobicContact CE1-CB 3.71Å; Y348-P655 HydrophobicContact CE1-CG 4.18Å; Y348-P655 HydrophobicContact CE2-CB 3.88Å; Y348-P655 HydrophobicContact CE2-CG 3.38Å; Y348-P655 HydrophobicContact CG-CB 3.68Å; Y348-P655 HydrophobicContact CG-CG 3.83Å; Y348-E656 VanDerWaalsContact OH-CG 3.27Å; Y348-E656 WeakPolarHBondContact OH-CG 3.42Å
349	T	81.7	Confident	86	Confident	52 Å²	52	35.6 Å²	35.6	32%	0.319	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	149.6	171.5	47.1	0	0	0	0	109.4	H356	T349-H356 WeakPolarHBondContact CG2-CE1 3.39Å; T349-H356 WeakPolarHBondContact CG2-ND1 3.46Å
350	R	77.5	Confident	86.1	Confident	48 Å²	48	34.4 Å²	34.4	18%	0.181	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	144.8	170.1	-58.7	179.2	-176.5	-141.1	-8	109.7	Y348 D352 R353 C357 E656	Y348-R350 HydrophobicContact CD2-CG 4.29Å; Y348-R350 HydrophobicContact CE2-CG 3.68Å; Y348-R350 PolarHBondContact OH-NE 2.87Å; Y348-R350 PolarHBondContact OH-NH2 2.72Å; R350-D352 WeakPolarHBondContact CB-OD1 3.12Å; R350-D352 WeakPolarHBondContact CD-OD1 3.45Å; R350-D352 PolarHBondContact O-N 3.44Å; R350-R353 PolarHBondContact O-N 2.83Å; R350-R353 VanDerWaalsContact O-N 3.14Å; R350-C357 PolarHBondContact NE-SG 3.08Å; R350-E656 IonicContact CZ-OE1 3.3Å; R350-E656 IonicContact NE-OE1 2.74Å; R350-E656 IonicContact NH1-OE1 2.72Å; R350-E656 PolarHBondContact NH1-OE1 3.46Å; R350-E656 IonicContact NH2-OE1 2.67Å; R350-E656 PolarHBondContact NH2-OE1 3.43Å
351	P	69.2	Low	86.3	Confident	97 Å²	97	34.4 Å²	34.4	63%	0.63	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-27.4	176	-24.7	34.4	0	0	0	113.9
352	D	72.8	Confident	86.8	Confident	107 Å²	107	33 Å²	33	57%	0.572	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-13.5	-179.6	69.1	-46.5	0	0	0	113.9	R350	R350-D352 WeakPolarHBondContact CB-OD1 3.12Å; R350-D352 WeakPolarHBondContact CD-OD1 3.45Å; R350-D352 PolarHBondContact O-N 3.44Å
353	R	73.7	Confident	86.7	Confident	99 Å²	99	30.8 Å²	30.8	37%	0.374	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	136.9	-173.4	-66	-176	-173.9	-156.2	-3.7	113	R350 E355 Y372	R350-R353 PolarHBondContact O-N 2.83Å; R350-R353 VanDerWaalsContact O-N 3.14Å; R353-E355 PolarHBondContact O-N 2.97Å; R353-Y372 VanDerWaalsContact NH1-CE1 3.32Å; R353-Y372 VanDerWaalsContact NH1-CZ 3.34Å
354	P	72.6	Confident	86.4	Confident	85 Å²	85	37.8 Å²	37.8	55%	0.552	19%	0.194	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-74.2	-15.6	175.2	32.7	-37	0	0	0	113.3	P222	P222-P354 HydrophobicContact CG-CB 3.56Å
355	E	83.1	Confident	86	Confident	55 Å²	55	42.3 Å²	42.3	26%	0.257	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	142.8	-175.3	-42.3	-173.2	148.1	0	0	111.1	R353 C357 Y372 K374	R353-E355 PolarHBondContact O-N 2.97Å; E355-C357 PolarHBondContact O-N 2.81Å; E355-Y372 WeakPolarHBondContact OE2-CB 3.25Å; E355-K374 HydrophobicContact CB-CG 4.23Å; E355-K374 HydrophobicContact CG-CG 3.67Å; E355-K374 WeakPolarHBondContact OE1-CE 3.44Å
356	H	86.6	Confident	85.5	Confident	19 Å²	19	46 Å²	46	9%	0.088	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129.8	170.7	-75	-72.2	0	0	0	110.3	K336 T349 V358 Y372 V373 L376	K336-H356 PolarHBondContact NZ-NE2 3.03Å; T349-H356 WeakPolarHBondContact CG2-CE1 3.39Å; T349-H356 WeakPolarHBondContact CG2-ND1 3.46Å; H356-V358 PolarHBondContact O-N 2.73Å; H356-Y372 WeakPolarHBondContact O-CA 3.26Å; H356-V373 WeakPolarHBondContact CB-O 3.36Å; H356-V373 PolarHBondContact N-O 3.32Å; H356-V373 PolarHBondContact O-N 3Å; H356-L376 HydrophobicContact CB-CB 4.09Å; H356-L376 HydrophobicContact CB-CD2 4.13Å
357	C	91	Very high	85.1	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	106.6	169.3	-63	0	0	0	0	108.8	A347 Y348 R350 E355 V370 Y372	A347-C357 VanDerWaalsContact CA-O 3.29Å; A347-C357 WeakPolarHBondContact CA-O 3.38Å; Y348-C357 HydrophobicContact CD1-CB 3.83Å; Y348-C357 WeakPolarHBondContact CD1-O 3.34Å; Y348-C357 HydrophobicContact CE1-CB 3.45Å; Y348-C357 VanDerWaalsContact CE1-CB 3.45Å; Y348-C357 HydrophobicContact CE2-CB 4.22Å; Y348-C357 HydrophobicContact CG-CB 4.35Å; Y348-C357 PolarHBondContact N-O 2.91Å; Y348-C357 PolarHBondContact O-N 2.91Å; R350-C357 PolarHBondContact NE-SG 3.08Å; E355-C357 PolarHBondContact O-N 2.81Å; C357-V370 HydrophobicContact CB-CG1 4.42Å; C357-Y372 VanDerWaalsContact SG-CD1 3.56Å; C357-Y372 WeakPolarHBondContact SG-CE1 3.43Å
358	V	93.9	Very high	85	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.3	174.6	-173.6	0	0	0	0	109	V345 Y346 A347 H356 F360 V370 K371 V373 L376 I379 L388	V345-V358 HydrophobicContact CG1-CG1 3.8Å; Y346-V358 WeakPolarHBondContact O-CA 3.18Å; A347-V358 HydrophobicContact CB-CG2 4.17Å; H356-V358 PolarHBondContact O-N 2.73Å; V358-F360 HydrophobicContact CG1-CD2 4.29Å; V358-F360 HydrophobicContact CG1-CE2 3.69Å; V358-F360 HydrophobicContact CG1-CZ 4.34Å; V358-V370 WeakPolarHBondContact O-CA 3.33Å; V358-K371 HydrophobicContact CB-CB 4.42Å; V358-K371 PolarHBondContact N-O 2.86Å; V358-K371 PolarHBondContact O-N 3.39Å; V358-V373 HydrophobicContact CG2-CB 4.17Å; V358-V373 HydrophobicContact CG2-CG2 3.85Å; V358-L376 HydrophobicContact CG2-CD2 3.85Å; V358-I379 HydrophobicContact CG1-CD1 3.98Å; V358-L388 HydrophobicContact CG1-CD2 4.14Å
359	V	94.4	Very high	85.1	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.4	-179.4	-173.5	0	0	0	0	109.7	V345 Y346 Y348 W361 K368 V370	V345-V359 VanDerWaalsContact CA-O 3.26Å; V345-V359 WeakPolarHBondContact CA-O 3.23Å; Y346-V359 HydrophobicContact CD1-CB 4.25Å; Y346-V359 HydrophobicContact CD2-CB 4.42Å; Y346-V359 HydrophobicContact CE1-CB 3.77Å; Y346-V359 HydrophobicContact CE1-CG1 3.89Å; Y346-V359 HydrophobicContact CE2-CB 3.95Å; Y346-V359 HydrophobicContact CE2-CG2 3.87Å; Y346-V359 PolarHBondContact N-O 3Å; Y346-V359 VanDerWaalsContact N-O 3.09Å; Y346-V359 PolarHBondContact O-N 2.78Å; Y348-V359 HydrophobicContact CD1-CG2 4.28Å; Y348-V359 HydrophobicContact CE1-CG2 3.66Å; V359-W361 HydrophobicContact CG1-CB 4.37Å; V359-K368 HydrophobicContact CG1-CB 4.21Å; V359-V370 HydrophobicContact CG1-CG2 4.47Å; V359-V370 HydrophobicContact CG2-CG2 4.22Å
360	F	94.6	Very high	85.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	98.7	168.3	-68.8	-103.8	0	0	0	107.7	T343 V345 V358 K368 H369 K371 C386 L388 C415	T343-F360 HydrophobicContact CG2-CB 3.94Å; T343-F360 HydrophobicContact CG2-CD1 4.34Å; V345-F360 HydrophobicContact CG1-CD1 4.16Å; V345-F360 HydrophobicContact CG1-CD2 4.43Å; V345-F360 HydrophobicContact CG1-CE1 3.95Å; V345-F360 HydrophobicContact CG1-CE2 4.21Å; V345-F360 HydrophobicContact CG1-CG 4.39Å; V345-F360 HydrophobicContact CG1-CZ 3.96Å; V345-F360 HydrophobicContact CG2-CD1 3.55Å; V345-F360 HydrophobicContact CG2-CE1 3.75Å; V345-F360 HydrophobicContact CG2-CG 4.25Å; V358-F360 HydrophobicContact CG1-CD2 4.29Å; V358-F360 HydrophobicContact CG1-CE2 3.69Å; V358-F360 HydrophobicContact CG1-CZ 4.34Å; F360-K368 WeakPolarHBondContact O-CA 3.14Å; F360-H369 HydrophobicContact CB-CB 4.29Å; F360-H369 PolarHBondContact N-O 2.74Å; F360-H369 PolarHBondContact O-N 2.81Å; F360-K371 HydrophobicContact CE2-CD 4.05Å; F360-C386 HydrophobicContact CE1-CB 3.9Å; F360-C386 HydrophobicContact CZ-CB 4.46Å; F360-L388 HydrophobicContact CZ-CD1 4.41Å; F360-C415 HydrophobicContact CE1-CB 4.36Å; F360-C415 HydrophobicContact CZ-CB 4.18Å
361	W	93.9	Very high	86.2	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.008	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	106.8	-178.5	173.5	40.1	0	0	0	111	T343 V344 Y346 V359 T363 N366 I651 P658 N659 K660 L663	T343-W361 CarbonylContact C-O 3.54Å; T343-W361 WeakPolarHBondContact CA-O 3.38Å; T343-W361 WeakPolarHBondContact CG2-O 3.5Å; V344-W361 HydrophobicContact CB-CE3 4.03Å; V344-W361 HydrophobicContact CG2-CE3 4.17Å; V344-W361 HydrophobicContact CG2-CZ3 4.4Å; V344-W361 PolarHBondContact N-O 2.91Å; V344-W361 PolarHBondContact O-N 3.09Å; Y346-W361 HydrophobicContact CE1-CB 4.37Å; V359-W361 HydrophobicContact CG1-CB 4.37Å; W361-T363 HydrophobicContact CD2-CG2 4.26Å; W361-T363 HydrophobicContact CE3-CG2 4.23Å; W361-T363 HydrophobicContact CZ3-CG2 4.37Å; W361-T363 PolarHBondContact O-N 3.23Å; W361-N366 PolarHBondContact NE1-OD1 3.09Å; W361-I651 HydrophobicContact CZ3-CD1 3.96Å; W361-P658 HydrophobicContact CB-CG 4.31Å; W361-P658 HydrophobicContact CD2-CB 3.63Å; W361-P658 HydrophobicContact CD2-CG 3.77Å; W361-P658 HydrophobicContact CE3-CB 3.69Å; W361-P658 HydrophobicContact CE3-CG 4.28Å; W361-P658 HydrophobicContact CG-CB 4.16Å; W361-P658 HydrophobicContact CG-CG 3.75Å; W361-P658 HydrophobicContact CH2-CB 4.2Å; W361-P658 HydrophobicContact CZ2-CB 4.13Å; W361-P658 HydrophobicContact CZ3-CB 3.98Å; W361-N659 WeakPolarHBondContact CH2-O 3.46Å; W361-K660 HydrophobicContact CZ2-CG 4.14Å; W361-L663 HydrophobicContact CH2-CD1 3.55Å; W361-L663 HydrophobicContact CH2-CG 4.07Å; W361-L663 HydrophobicContact CZ2-CD1 4.22Å; W361-L663 HydrophobicContact CZ3-CD1 3.91Å; W361-L663 HydrophobicContact CZ3-CG 4.21Å
362	D	90.9	Very high	87.2	Confident	24 Å²	24	55.8 Å²	55.8	13%	0.128	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	106.2	173	179.3	-3.6	0	0	0	109.8	K364 N365 N366 E367	D362-K364 PolarHBondContact O-N 3.21Å; D362-K364 WeakPolarHBondContact OD1-CB 3.06Å; D362-K364 PolarHBondContact OD1-N 3.37Å; D362-N365 PolarHBondContact OD1-N 2.73Å; D362-N365 PolarHBondContact OD2-ND2 3.32Å; D362-N366 WeakPolarHBondContact O-CA 3.42Å; D362-N366 PolarHBondContact O-N 2.88Å; D362-E367 PolarHBondContact N-O 2.94Å; D362-E367 PolarHBondContact O-N 2.67Å
363	T	87.8	Confident	87.9	Confident	15 Å²	15	51.7 Å²	51.7	9%	0.092	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-18	-176.8	66.5	0	0	0	0	113.2	N342 V344 W361 K660 L663	N342-T363 VanDerWaalsContact O-CB 3.26Å; N342-T363 WeakPolarHBondContact O-CB 3.44Å; N342-T363 VanDerWaalsContact O-CG2 3.27Å; N342-T363 WeakPolarHBondContact O-CG2 3.46Å; N342-T363 PolarHBondContact O-N 3.19Å; N342-T363 PolarHBondContact O-OG1 3.21Å; V344-T363 HydrophobicContact CG2-CG2 3.73Å; W361-T363 HydrophobicContact CD2-CG2 4.26Å; W361-T363 HydrophobicContact CE3-CG2 4.23Å; W361-T363 HydrophobicContact CZ3-CG2 4.37Å; W361-T363 PolarHBondContact O-N 3.23Å; T363-K660 WeakPolarHBondContact O-CE 3.42Å; T363-K660 PolarHBondContact O-NZ 2.94Å; T363-L663 VanDerWaalsContact CB-CD1 3.48Å; T363-L663 HydrophobicContact CG2-CD1 3.26Å; T363-L663 HydrophobicContact CG2-CD2 4.42Å; T363-L663 HydrophobicContact CG2-CG 4.43Å
364	K	86.4	Confident	88.5	Confident	151 Å²	151	51.1 Å²	51.1	66%	0.657	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-54.9	177.7	-170.7	-179.8	178.8	-175.7	0	110.1	D362 K660	D362-K364 PolarHBondContact O-N 3.21Å; D362-K364 WeakPolarHBondContact OD1-CB 3.06Å; D362-K364 PolarHBondContact OD1-N 3.37Å; K364-K660 PolarHBondContact O-NZ 3.42Å
365	N	84.3	Confident	89	Confident	95 Å²	95	48.5 Å²	48.5	51%	0.508	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-11.3	-176.7	-62.2	-41.2	0	0	0	113.7	D362 E367	D362-N365 PolarHBondContact OD1-N 2.73Å; D362-N365 PolarHBondContact OD2-ND2 3.32Å; N365-E367 HydrophobicContact CB-CB 4.47Å; N365-E367 HydrophobicContact CB-CG 4.02Å; N365-E367 PolarHBondContact O-N 2.91Å
366	N	86.4	Confident	89.3	Confident	78 Å²	78	46 Å²	46	42%	0.417	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	28.2	-170.3	-145.5	35.3	0	0	0	114.3	W361 D362 K660	W361-N366 PolarHBondContact NE1-OD1 3.09Å; D362-N366 WeakPolarHBondContact O-CA 3.42Å; D362-N366 PolarHBondContact O-N 2.88Å; N366-K660 VanDerWaalsContact CB-CE 3.49Å
367	E	86.4	Confident	89.4	Confident	77 Å²	77	47.5 Å²	47.5	36%	0.36	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.9	179.3	-67.8	179.2	179.8	0	0	109.2	D362 N365 R813	D362-E367 PolarHBondContact N-O 2.94Å; D362-E367 PolarHBondContact O-N 2.67Å; N365-E367 HydrophobicContact CB-CB 4.47Å; N365-E367 HydrophobicContact CB-CG 4.02Å; N365-E367 PolarHBondContact O-N 2.91Å; E367-R813 IonicContact OE1-NH2 3.91Å
368	K	89.3	Confident	89.4	Confident	92 Å²	92	48.8 Å²	48.8	40%	0.4	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	137.2	178	67.6	175.7	179.9	174.8	0	110.3	V359 F360 E656	V359-K368 HydrophobicContact CG1-CB 4.21Å; F360-K368 WeakPolarHBondContact O-CA 3.14Å; K368-E656 WeakPolarHBondContact CD-O 3.15Å; K368-E656 PolarHBondContact NZ-O 3.38Å
369	H	90.3	Very high	89.5	Confident	76 Å²	76	49.2 Å²	49.2	35%	0.352	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.6	170	-60.3	-78.9	0	0	0	109	F360 I418	F360-H369 HydrophobicContact CB-CB 4.29Å; F360-H369 PolarHBondContact N-O 2.74Å; F360-H369 PolarHBondContact O-N 2.81Å; H369-I418 VanDerWaalsContact CB-O 3.29Å; H369-I418 WeakPolarHBondContact CB-O 3.29Å
370	V	91.6	Very high	89.4	Confident	51 Å²	51	50.4 Å²	50.4	31%	0.309	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133	-177.2	-174.3	0	0	0	0	109.4	C357 V358 V359 Y372	C357-V370 HydrophobicContact CB-CG1 4.42Å; V358-V370 WeakPolarHBondContact O-CA 3.33Å; V359-V370 HydrophobicContact CG1-CG2 4.47Å; V359-V370 HydrophobicContact CG2-CG2 4.22Å; V370-Y372 HydrophobicContact CG1-CE1 4.32Å; V370-Y372 HydrophobicContact CG1-CE2 4.4Å
371	K	90.4	Very high	89.3	Confident	50 Å²	50	51.5 Å²	51.5	22%	0.217	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.5	171.6	-75	-174	129.2	-174.4	0	110	V358 F360 V373 C415 G419	V358-K371 HydrophobicContact CB-CB 4.42Å; V358-K371 PolarHBondContact N-O 2.86Å; V358-K371 PolarHBondContact O-N 3.39Å; F360-K371 HydrophobicContact CE2-CD 4.05Å; K371-V373 HydrophobicContact CB-CG2 4.37Å; K371-C415 PolarHBondContact NZ-SG 2.69Å; K371-G419 WeakPolarHBondContact CD-O 3.08Å; K371-G419 WeakPolarHBondContact CE-O 3.46Å; K371-G419 PolarHBondContact NZ-O 3.22Å
372	Y	90.4	Very high	89	Confident	95 Å²	95	52.9 Å²	52.9	37%	0.373	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	127.8	174.2	-54.8	-85.4	0	0	0	108.8	R353 E355 H356 C357 V370	R353-Y372 VanDerWaalsContact NH1-CE1 3.32Å; R353-Y372 VanDerWaalsContact NH1-CZ 3.34Å; E355-Y372 WeakPolarHBondContact OE2-CB 3.25Å; H356-Y372 WeakPolarHBondContact O-CA 3.26Å; C357-Y372 VanDerWaalsContact SG-CD1 3.56Å; C357-Y372 WeakPolarHBondContact SG-CE1 3.43Å; V370-Y372 HydrophobicContact CG1-CE1 4.32Å; V370-Y372 HydrophobicContact CG1-CE2 4.4Å
373	V	87.6	Confident	88.8	Confident	21 Å²	21	53.7 Å²	53.7	13%	0.127	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	120.1	-170.4	-177	0	0	0	0	109.5	H356 V358 K371 L376 L388 T390	H356-V373 WeakPolarHBondContact CB-O 3.36Å; H356-V373 PolarHBondContact N-O 3.32Å; H356-V373 PolarHBondContact O-N 3Å; V358-V373 HydrophobicContact CG2-CB 4.17Å; V358-V373 HydrophobicContact CG2-CG2 3.85Å; K371-V373 HydrophobicContact CB-CG2 4.37Å; V373-L376 HydrophobicContact CG1-CB 4.22Å; V373-L376 HydrophobicContact CG1-CD1 4.24Å; V373-L388 HydrophobicContact CG2-CD1 4.32Å; V373-T390 HydrophobicContact CG1-CG2 3.21Å
374	K	85.9	Confident	88.7	Confident	87 Å²	87	55.9 Å²	55.9	38%	0.378	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	146.3	173.6	-69.2	179.9	-168	172.8	0	111.4	E355 L376 D393	E355-K374 HydrophobicContact CB-CG 4.23Å; E355-K374 HydrophobicContact CG-CG 3.67Å; E355-K374 WeakPolarHBondContact OE1-CE 3.44Å; K374-L376 PolarHBondContact O-N 3.09Å; K374-L376 VanDerWaalsContact O-N 3.12Å; K374-D393 WeakPolarHBondContact CD-OD1 3.4Å; K374-D393 WeakPolarHBondContact CD-OD2 3.41Å; K374-D393 IonicContact NZ-OD2 3.74Å; K374-D393 PolarHBondContact NZ-OD2 3.38Å
375	G	83.1	Confident	88.9	Confident	30 Å²	30	50 Å²	50	31%	0.309	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.5	35.5	172.6	0	0	0	0	0	114.1	I377 T390 K391	G375-I377 PolarHBondContact O-N 3.08Å; G375-T390 CarbonylContact O-C 2.98Å; G375-T390 WeakPolarHBondContact O-CA 3.49Å; G375-K391 PolarHBondContact O-N 2.9Å
376	L	89.5	Confident	89.3	Confident	3 Å²	3	45.5 Å²	45.5	2%	0.016	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	122.8	177.9	178.9	74.2	0	0	0	109.7	K336 A347 H356 V358 V373 K374 I379 L388 T390	K336-L376 HydrophobicContact CD-CD2 4.05Å; K336-L376 HydrophobicContact CD-CG 4.32Å; K336-L376 PolarHBondContact NZ-O 2.83Å; A347-L376 HydrophobicContact CB-CD2 3.47Å; A347-L376 VanDerWaalsContact CB-CD2 3.47Å; H356-L376 HydrophobicContact CB-CB 4.09Å; H356-L376 HydrophobicContact CB-CD2 4.13Å; V358-L376 HydrophobicContact CG2-CD2 3.85Å; V373-L376 HydrophobicContact CG1-CB 4.22Å; V373-L376 HydrophobicContact CG1-CD1 4.24Å; K374-L376 PolarHBondContact O-N 3.09Å; K374-L376 VanDerWaalsContact O-N 3.12Å; L376-I379 HydrophobicContact CD1-CG1 4.17Å; L376-I379 HydrophobicContact CD2-CD1 4Å; L376-I379 HydrophobicContact CD2-CG1 4.07Å; L376-L388 HydrophobicContact CD1-CB 4.24Å; L376-L388 HydrophobicContact CD1-CD2 4.42Å; L376-T390 HydrophobicContact CD1-CG2 4.2Å
377	I	89.5	Confident	89.7	Confident	49 Å²	49	41.8 Å²	41.8	25%	0.251	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-54	179.8	-61.7	170.1	0	0	0	109.8	K336 G375 A389 F410 P431	K336-I377 WeakPolarHBondContact CE-O 3.38Å; G375-I377 PolarHBondContact O-N 3.08Å; I377-A389 HydrophobicContact CB-CB 4.45Å; I377-A389 PolarHBondContact N-O 3.3Å; I377-F410 HydrophobicContact CD1-CD1 3.48Å; I377-F410 VanDerWaalsContact CD1-CD1 3.48Å; I377-F410 HydrophobicContact CD1-CE1 3.61Å; I377-P431 HydrophobicContact CD1-CG 3.84Å; I377-P431 WeakPolarHBondContact CG2-O 3.15Å
378	S	91.6	Very high	90.1	Very high	28 Å²	28	38.3 Å²	38.3	20%	0.196	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.7	-173.5	-175.1	0	0	0	0	112.5	A389	S378-A389 PolarHBondContact N-O 3.01Å; S378-A389 PolarHBondContact O-N 2.84Å
379	I	94.6	Very high	90.4	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.046	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.9	171.1	-58.2	-176.2	0	0	0	107.1	K336 V345 A347 V358 L376 L388	K336-I379 HydrophobicContact CB-CD1 4.42Å; K336-I379 HydrophobicContact CB-CG1 4.5Å; V345-I379 HydrophobicContact CB-CG2 4.37Å; V345-I379 HydrophobicContact CG1-CD1 4.26Å; V345-I379 HydrophobicContact CG1-CG2 3.95Å; A347-I379 HydrophobicContact CB-CD1 3.9Å; V358-I379 HydrophobicContact CG1-CD1 3.98Å; L376-I379 HydrophobicContact CD1-CG1 4.17Å; L376-I379 HydrophobicContact CD2-CD1 4Å; L376-I379 HydrophobicContact CD2-CG1 4.07Å; I379-L388 HydrophobicContact CB-CD2 4.46Å; I379-L388 HydrophobicContact CD1-CD2 4.24Å; I379-L388 HydrophobicContact CG1-CD2 3.87Å; I379-L388 HydrophobicContact CG2-CD2 4.16Å
380	T	93.2	Very high	90.5	Very high	25 Å²	25	30.9 Å²	30.9	15%	0.153	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	141.5	176.2	-57	0	0	0	0	109.8	C386 I387 V434 M436	T380-C386 CarbonylContact O-C 3.45Å; T380-C386 WeakPolarHBondContact O-CA 3.5Å; T380-I387 PolarHBondContact N-O 3.49Å; T380-I387 VanDerWaalsContact N-O 3.08Å; T380-I387 WeakPolarHBondContact O-CG2 3.35Å; T380-I387 PolarHBondContact O-N 2.88Å; T380-V434 PolarHBondContact OG1-O 3.31Å; T380-M436 HydrophobicContact CG2-CB 3.99Å
381	T	91.3	Very high	90.3	Very high	23 Å²	23	33.2 Å²	33.2	14%	0.141	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	151	179.8	57.5	0	0	0	0	112.8	S338 Y339 C340 F385 C386	S338-T381 WeakPolarHBondContact CB-OG1 3.48Å; S338-T381 PolarHBondContact OG-N 3.35Å; S338-T381 PolarHBondContact OG-OG1 3.38Å; Y339-T381 VanDerWaalsContact C-OG1 3.32Å; Y339-T381 PolarHBondContact N-OG1 2.89Å; Y339-T381 PolarHBondContact O-OG1 3.23Å; C340-T381 HydrophobicContact CB-CG2 3.72Å; T381-F385 VanDerWaalsContact CA-O 3.27Å; T381-F385 WeakPolarHBondContact CA-O 3.3Å; T381-F385 WeakPolarHBondContact CB-O 3.48Å; T381-C386 HydrophobicContact CG2-CB 3.74Å
382	C	88.8	Confident	89.9	Confident	31 Å²	31	31.8 Å²	31.8	21%	0.209	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	123.4	168.2	-168.8	0	0	0	0	110	D384 F385 M436	C382-D384 PolarHBondContact O-N 3.19Å; C382-F385 PolarHBondContact N-O 3.37Å; C382-F385 PolarHBondContact O-N 3.38Å; C382-F385 VanDerWaalsContact O-N 3.14Å; C382-M436 HydrophobicContact CB-CB 3.91Å; C382-M436 HydrophobicContact CB-CG 3.72Å; C382-M436 WeakPolarHBondContact CB-O 3.33Å; C382-M436 HydrophobicContact CB-SD 3.96Å; C382-M436 PolarHBondContact SG-O 3.42Å
383	G	85.4	Confident	88.9	Confident	42 Å²	42	31.1 Å²	31.1	43%	0.433	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	-122.3	-176	0	0	0	0	0	112.1	C340 S341	C340-G383 WeakPolarHBondContact CA-O 3.45Å; C340-G383 VanDerWaalsContact CB-O 3.25Å; C340-G383 WeakPolarHBondContact CB-O 3.46Å; S341-G383 PolarHBondContact N-O 3.29Å; S341-G383 PolarHBondContact OG-O 3.09Å; S341-G383 VanDerWaalsContact OG-O 3.09Å
384	D	86.3	Confident	87.4	Confident	61 Å²	61	38.5 Å²	38.5	33%	0.326	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.1	179.6	-65.9	-16.1	0	0	0	113.6	S341 C382 N416 S417 K458	S341-D384 WeakPolarHBondContact CB-OD1 3.27Å; S341-D384 WeakPolarHBondContact OG-CA 3.45Å; S341-D384 PolarHBondContact OG-OD1 3.4Å; C382-D384 PolarHBondContact O-N 3.19Å; D384-N416 CarbonylContact O-C 3.56Å; D384-S417 PolarHBondContact O-N 2.89Å; D384-S417 VanDerWaalsContact O-N 3.09Å; D384-K458 IonicContact OD2-NZ 3.68Å; D384-K458 PolarHBondContact OD2-NZ 2.92Å
385	F	91.2	Very high	85.5	Confident	27 Å²	27	41.5 Å²	41.5	12%	0.118	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	149.6	-169.1	-53.5	-70.1	0	0	0	112.4	T381 C382 L414 C415 L422 M436 Y454 V456	T381-F385 VanDerWaalsContact CA-O 3.27Å; T381-F385 WeakPolarHBondContact CA-O 3.3Å; T381-F385 WeakPolarHBondContact CB-O 3.48Å; C382-F385 PolarHBondContact N-O 3.37Å; C382-F385 PolarHBondContact O-N 3.38Å; C382-F385 VanDerWaalsContact O-N 3.14Å; F385-L414 HydrophobicContact CB-CD1 4.05Å; F385-C415 WeakPolarHBondContact CA-O 3.28Å; F385-L422 HydrophobicContact CD1-CD1 3.73Å; F385-L422 HydrophobicContact CE1-CD1 3.7Å; F385-M436 HydrophobicContact CB-CE 3.68Å; F385-M436 HydrophobicContact CB-SD 4.27Å; F385-Y454 AromaticContact CD2-CE2 3.92Å; F385-Y454 HydrophobicContact CD2-CE2 3.92Å; F385-Y454 HydrophobicContact CE2-CE2 4.2Å; F385-Y454 HydrophobicContact CG-CE2 4.22Å; F385-V456 HydrophobicContact CD1-CG2 4.44Å; F385-V456 HydrophobicContact CE1-CB 4.41Å; F385-V456 HydrophobicContact CE1-CG1 4.08Å; F385-V456 HydrophobicContact CE1-CG2 3.59Å; F385-V456 HydrophobicContact CE2-CG2 3.94Å; F385-V456 HydrophobicContact CZ-CB 3.92Å; F385-V456 HydrophobicContact CZ-CG1 3.81Å; F385-V456 HydrophobicContact CZ-CG2 3.31Å
386	C	93.4	Very high	83.6	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	132	176.8	-177.3	0	0	0	0	108.5	F360 T380 T381 C415	F360-C386 HydrophobicContact CE1-CB 3.9Å; F360-C386 HydrophobicContact CZ-CB 4.46Å; T380-C386 CarbonylContact O-C 3.45Å; T380-C386 WeakPolarHBondContact O-CA 3.5Å; T381-C386 HydrophobicContact CG2-CB 3.74Å; C386-C415 HydrophobicContact CB-CB 4.35Å; C386-C415 PolarHBondContact N-O 3.04Å; C386-C415 WeakPolarHBondContact O-CA 3.22Å; C386-C415 PolarHBondContact O-N 2.94Å
387	I	94.6	Very high	81.1	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.005	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	130.6	170.1	-167.6	79.6	0	0	0	109.5	T380 L412 L414 V434 M436 V441 W452	T380-I387 PolarHBondContact N-O 3.49Å; T380-I387 VanDerWaalsContact N-O 3.08Å; T380-I387 WeakPolarHBondContact O-CG2 3.35Å; T380-I387 PolarHBondContact O-N 2.88Å; I387-L412 HydrophobicContact CD1-CB 3.89Å; I387-L412 HydrophobicContact CG1-CB 4.24Å; I387-L414 HydrophobicContact CD1-CB 4.17Å; I387-V434 HydrophobicContact CG2-CG1 3.71Å; I387-M436 HydrophobicContact CB-CE 4.24Å; I387-M436 HydrophobicContact CB-SD 4.43Å; I387-M436 HydrophobicContact CG2-SD 4.35Å; I387-V441 HydrophobicContact CD1-CG1 4.36Å; I387-V441 HydrophobicContact CD1-CG2 4.23Å; I387-V441 HydrophobicContact CG1-CG1 4.15Å; I387-W452 HydrophobicContact CD1-CZ3 3.91Å
388	L	94.9	Very high	78.8	Confident	3 Å²	3	57 Å²	57	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.4	171.3	-53.3	178.4	0	0	0	108	V358 F360 V373 L376 I379 T390 V413	V358-L388 HydrophobicContact CG1-CD2 4.14Å; F360-L388 HydrophobicContact CZ-CD1 4.41Å; V373-L388 HydrophobicContact CG2-CD1 4.32Å; L376-L388 HydrophobicContact CD1-CB 4.24Å; L376-L388 HydrophobicContact CD1-CD2 4.42Å; I379-L388 HydrophobicContact CB-CD2 4.46Å; I379-L388 HydrophobicContact CD1-CD2 4.24Å; I379-L388 HydrophobicContact CG1-CD2 3.87Å; I379-L388 HydrophobicContact CG2-CD2 4.16Å; L388-T390 HydrophobicContact CB-CG2 4.45Å; L388-V413 HydrophobicContact CB-CB 4.35Å; L388-V413 PolarHBondContact N-O 3.25Å; L388-V413 PolarHBondContact O-N 2.85Å
389	A	94.5	Very high	76.1	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	124.2	174	0	0	0	0	0	109.4	I377 S378 V411 L412 P431 V434	I377-A389 HydrophobicContact CB-CB 4.45Å; I377-A389 PolarHBondContact N-O 3.3Å; S378-A389 PolarHBondContact N-O 3.01Å; S378-A389 PolarHBondContact O-N 2.84Å; A389-V411 CarbonylContact C-O 3.6Å; A389-V411 WeakPolarHBondContact CA-O 3.39Å; A389-L412 HydrophobicContact CB-CD2 3.75Å; A389-P431 HydrophobicContact CB-CB 4.21Å; A389-P431 HydrophobicContact CB-CG 3.89Å; A389-V434 HydrophobicContact CB-CG2 4.17Å
390	T	91.8	Very high	73.4	Confident	13 Å²	13	73.3 Å²	73.3	8%	0.08	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.7	-171.4	69.5	0	0	0	0	111.3	V373 G375 L376 L388 F410 V411	V373-T390 HydrophobicContact CG1-CG2 3.21Å; G375-T390 CarbonylContact O-C 2.98Å; G375-T390 WeakPolarHBondContact O-CA 3.49Å; L376-T390 HydrophobicContact CD1-CG2 4.2Å; L388-T390 HydrophobicContact CB-CG2 4.45Å; T390-F410 CarbonylContact O-C 3.53Å; T390-F410 WeakPolarHBondContact O-CA 3.24Å; T390-V411 PolarHBondContact N-O 2.82Å; T390-V411 PolarHBondContact O-N 2.68Å; T390-V411 PolarHBondContact OG1-O 3.43Å
391	K	88.7	Confident	70.6	Confident	99 Å²	99	79 Å²	79	43%	0.43	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	136.4	166.3	-166.5	-179.9	178.2	-170.9	0	109.3	G375 A408 F410	G375-K391 PolarHBondContact O-N 2.9Å; K391-A408 VanDerWaalsContact CE-CB 3.43Å; K391-A408 HydrophobicContact CG-CB 4.49Å; K391-F410 HydrophobicContact CB-CD1 4.19Å; K391-F410 HydrophobicContact CB-CE1 4.18Å; K391-F410 HydrophobicContact CG-CD1 4.28Å; K391-F410 HydrophobicContact CG-CE1 3.98Å
392	A	82.1	Confident	68	Low	20 Å²	20	86.4 Å²	86.4	17%	0.165	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-75.2	147.2	175.8	0	0	0	0	0	110.8	T409 V411	A392-T409 VanDerWaalsContact CB-O 3.22Å; A392-T409 WeakPolarHBondContact CB-O 3.44Å; A392-T409 PolarHBondContact N-O 2.86Å; A392-V411 HydrophobicContact CB-CG2 3.97Å
393	D	69.2	Low	65.3	Low	81 Å²	81	92.5 Å²	92.5	43%	0.433	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-74	136.3	174.2	-82.1	-5.8	0	0	0	109.8	K374 N395	K374-D393 WeakPolarHBondContact CD-OD1 3.4Å; K374-D393 WeakPolarHBondContact CD-OD2 3.41Å; K374-D393 IonicContact NZ-OD2 3.74Å; K374-D393 PolarHBondContact NZ-OD2 3.38Å; D393-N395 PolarHBondContact O-N 2.84Å
394	E	56.5	Low	63	Low	176 Å²	176	100.3 Å²	100.3	82%	0.822	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-5.4	-179.2	-65.5	-174.8	172.7	0	0	114.5	H396	E394-H396 VanDerWaalsContact C-N 3.31Å; E394-H396 PolarHBondContact O-N 3.31Å
395	N	45.4	Very low	60.5	Low	151 Å²	151	102.4 Å²	102.4	81%	0.807	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	9.9	-175.6	-72.4	-18.9	0	0	0	114.7	D393	D393-N395 PolarHBondContact O-N 2.84Å
396	H	43.3	Very low	58.1	Low	129 Å²	129	108.6 Å²	108.6	60%	0.597	54%	0.539	S	S	*	.	S	Bend	trans	-70.3	126.9	169.8	-122.7	-70.4	0	0	0	108.3	E394 Q398	E394-H396 VanDerWaalsContact C-N 3.31Å; E394-H396 PolarHBondContact O-N 3.31Å; H396-Q398 PolarHBondContact O-N 3.38Å
397	P	37	Very low	56.3	Low	114 Å²	114	111.8 Å²	111.8	74%	0.74	57%	0.572	S	S	*	*			trans	-62.3	102.4	175.9	23.8	-30.4	0	0	0	107.7	E399	P397-E399 PolarHBondContact O-N 3.39Å
398	Q	40.3	Very low	54.9	Low	164 Å²	164	113.8 Å²	113.8	77%	0.766	59%	0.589	S	S	*	*			trans	-63.8	115.5	164.6	-71.2	179.2	-16.6	0	0	105.3	H396 E400	H396-Q398 PolarHBondContact O-N 3.38Å; Q398-E400 PolarHBondContact O-N 2.84Å
399	E	36.4	Very low	54.3	Low	185 Å²	185	116.1 Å²	116.1	86%	0.864	60%	0.603	S	S	*	*			trans	-54.2	122.9	163	-68.4	-176	164.3	0	0	106.6	P397 N401	P397-E399 PolarHBondContact O-N 3.39Å; E399-N401 PolarHBondContact O-N 3.01Å
400	E	37.3	Very low	54.1	Low	194 Å²	194	117 Å²	117	91%	0.907	61%	0.607	S	S	*	*	S	Bend	trans	-65.9	28.3	-166.8	-71	-177.1	147.9	0	0	115.7	Q398	Q398-E400 PolarHBondContact O-N 2.84Å
401	N	33.7	Very low	54.2	Low	146 Å²	146	116.9 Å²	116.9	78%	0.781	61%	0.606	S	S	*	*			trans	-126.6	93.9	176.6	-73.6	-36.3	0	0	0	110.5	E399	E399-N401 PolarHBondContact O-N 3.01Å
402	E	36.1	Very low	54.4	Low	178 Å²	178	112.1 Å²	112.1	83%	0.832	59%	0.585	S	S	*	*	S	Bend	trans	150.9	104.5	132.7	-80.2	177.1	-171.7	0	0	111.2
403	M	34	Very low	54.9	Low	158 Å²	158	112.5 Å²	112.5	78%	0.778	59%	0.585	S	S	*	*			trans	61	110.3	147.7	-142.9	162.3	163.6	0	0	117.9	T405	M403-T405 PolarHBondContact O-N 3Å
404	E	35.8	Very low	56	Low	207 Å²	207	108.9 Å²	108.9	97%	0.967	57%	0.566	S	S	*	*	S	Bend	trans	-59.8	57.3	177.5	-63.3	178.2	143.3	0	0	115.6
405	T	33.9	Very low	57.7	Low	104 Å²	104	100.5 Å²	100.5	64%	0.638	53%	0.527	S	S	*	.			trans	-141.9	10	-179.9	-1.5	0	0	0	0	116.4	M403	M403-T405 PolarHBondContact O-N 3Å
406	F	41.6	Very low	59.8	Low	158 Å²	158	95 Å²	95	69%	0.693	50%	0.498	S	S	*	.			trans	-102.6	118.9	-177.7	-67.5	-77.2	0	0	0	112.1
407	G	54.6	Low	61.9	Low	67 Å²	67	90.4 Å²	90.4	69%	0.691	48%	0.48	S	S	*	.			trans	-69	-176.8	179.9	0	0	0	0	0	114.1	T409	G407-T409 PolarHBondContact O-N 2.9Å
408	A	64.8	Low	64.2	Low	43 Å²	43	88.3 Å²	88.3	36%	0.355	46%	0.462	S	S	.	.			trans	-55.8	130.7	-177.2	0	0	0	0	0	113	K391 F410	K391-A408 VanDerWaalsContact CE-CB 3.43Å; K391-A408 HydrophobicContact CG-CB 4.49Å; A408-F410 WeakPolarHBondContact O-CD2 3.29Å; A408-F410 WeakPolarHBondContact O-CE2 3.44Å
409	T	83.5	Confident	66.4	Low	51 Å²	51	80.7 Å²	80.7	31%	0.313	43%	0.427	S	S	.	.			trans	-79	150	175.4	-21.6	0	0	0	0	111	A392 G407 D428	A392-T409 VanDerWaalsContact CB-O 3.22Å; A392-T409 WeakPolarHBondContact CB-O 3.44Å; A392-T409 PolarHBondContact N-O 2.86Å; G407-T409 PolarHBondContact O-N 2.9Å; T409-D428 WeakPolarHBondContact CG2-OD1 3.45Å
410	F	90.7	Very high	68.9	Low	19 Å²	19	75 Å²	75	8%	0.083	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	156.4	177.3	-58.8	-87.5	0	0	0	111.6	I377 T390 K391 A408 Y426 I427 I429 V430 P431	I377-F410 HydrophobicContact CD1-CD1 3.48Å; I377-F410 VanDerWaalsContact CD1-CD1 3.48Å; I377-F410 HydrophobicContact CD1-CE1 3.61Å; T390-F410 CarbonylContact O-C 3.53Å; T390-F410 WeakPolarHBondContact O-CA 3.24Å; K391-F410 HydrophobicContact CB-CD1 4.19Å; K391-F410 HydrophobicContact CB-CE1 4.18Å; K391-F410 HydrophobicContact CG-CD1 4.28Å; K391-F410 HydrophobicContact CG-CE1 3.98Å; A408-F410 WeakPolarHBondContact O-CD2 3.29Å; A408-F410 WeakPolarHBondContact O-CE2 3.44Å; F410-Y426 CarbonylContact O-C 3.53Å; F410-Y426 VanDerWaalsContact O-CA 3.32Å; F410-Y426 WeakPolarHBondContact O-CA 3.32Å; F410-I427 HydrophobicContact CB-CD1 4.47Å; F410-I427 HydrophobicContact CB-CG1 3.86Å; F410-I427 PolarHBondContact N-O 2.95Å; F410-I427 PolarHBondContact O-N 3.46Å; F410-I429 WeakPolarHBondContact CD2-O 3.43Å; F410-V430 HydrophobicContact CE1-CG1 4.18Å; F410-V430 HydrophobicContact CE2-CB 4.08Å; F410-V430 HydrophobicContact CE2-CG1 4.42Å; F410-V430 HydrophobicContact CE2-CG2 3.63Å; F410-V430 HydrophobicContact CZ-CB 4.05Å; F410-V430 HydrophobicContact CZ-CG1 3.91Å; F410-V430 HydrophobicContact CZ-CG2 3.66Å; F410-P431 HydrophobicContact CB-CG 4.27Å; F410-P431 HydrophobicContact CD1-CG 4.4Å; F410-P431 HydrophobicContact CG-CG 4.42Å
411	V	92.8	Very high	71.3	Confident	10 Å²	10	69.2 Å²	69.2	6%	0.061	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.6	-179	-166.1	0	0	0	0	110.6	A389 T390 A392 V413 P424 K425 Y426	A389-V411 CarbonylContact C-O 3.6Å; A389-V411 WeakPolarHBondContact CA-O 3.39Å; T390-V411 PolarHBondContact N-O 2.82Å; T390-V411 PolarHBondContact O-N 2.68Å; T390-V411 PolarHBondContact OG1-O 3.43Å; A392-V411 HydrophobicContact CB-CG2 3.97Å; V411-V413 HydrophobicContact CG1-CG2 3.85Å; V411-P424 HydrophobicContact CG1-CB 4.16Å; V411-K425 CarbonylContact C-O 3.55Å; V411-K425 WeakPolarHBondContact CA-O 3.46Å; V411-Y426 HydrophobicContact CB-CD1 4.49Å; V411-Y426 HydrophobicContact CB-CE1 4.45Å; V411-Y426 HydrophobicContact CG1-CE1 4.37Å; V411-Y426 HydrophobicContact CG2-CD1 3.47Å; V411-Y426 VanDerWaalsContact CG2-CD1 3.47Å; V411-Y426 HydrophobicContact CG2-CE1 3.3Å; V411-Y426 HydrophobicContact CG2-CG 4.34Å
412	L	93	Very high	73.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	107.7	168.8	-59.1	-179.2	0	0	0	108.3	I387 A389 P424 K425 I427 P431 V441 A443 Y450 W452	I387-L412 HydrophobicContact CD1-CB 3.89Å; I387-L412 HydrophobicContact CG1-CB 4.24Å; A389-L412 HydrophobicContact CB-CD2 3.75Å; L412-P424 CarbonylContact O-C 3.51Å; L412-P424 WeakPolarHBondContact O-CA 3.34Å; L412-K425 HydrophobicContact CB-CB 4.45Å; L412-K425 PolarHBondContact N-O 3.36Å; L412-K425 PolarHBondContact O-N 2.93Å; L412-I427 HydrophobicContact CD1-CD1 4.03Å; L412-I427 HydrophobicContact CD1-CG2 4.36Å; L412-I427 HydrophobicContact CD2-CD1 4.13Å; L412-I427 HydrophobicContact CG-CD1 3.92Å; L412-P431 HydrophobicContact CD2-CB 4.25Å; L412-V441 HydrophobicContact CD1-CG1 4.08Å; L412-A443 HydrophobicContact CD1-CB 4.04Å; L412-A443 HydrophobicContact CD2-CB 4.4Å; L412-Y450 HydrophobicContact CD1-CD1 4.37Å; L412-Y450 HydrophobicContact CD1-CE1 4.27Å; L412-W452 HydrophobicContact CB-CZ3 4.44Å
413	V	92.8	Very high	76.2	Confident	27 Å²	27	61.3 Å²	61.3	16%	0.164	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	108	179.7	-172.9	0	0	0	0	109.8	L388 V411 P421	L388-V413 HydrophobicContact CB-CB 4.35Å; L388-V413 PolarHBondContact N-O 3.25Å; L388-V413 PolarHBondContact O-N 2.85Å; V411-V413 HydrophobicContact CG1-CG2 3.85Å; V413-P421 HydrophobicContact CG1-CB 3.93Å
414	L	92.3	Very high	78.9	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.026	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	124.7	172	-176.4	67.3	0	0	0	109.5	F385 I387 P421 L422 D423 M436 W452 Y454	F385-L414 HydrophobicContact CB-CD1 4.05Å; I387-L414 HydrophobicContact CD1-CB 4.17Å; L414-P421 CarbonylContact O-C 3.56Å; L414-P421 WeakPolarHBondContact O-CA 3.33Å; L414-L422 HydrophobicContact CD2-CB 4.22Å; L414-L422 HydrophobicContact CD2-CD1 4.34Å; L414-L422 HydrophobicContact CG-CB 4.24Å; L414-L422 HydrophobicContact CG-CD1 4.33Å; L414-L422 PolarHBondContact O-N 3.17Å; L414-D423 HydrophobicContact CB-CB 4.44Å; L414-D423 VanDerWaalsContact CB-O 3.24Å; L414-D423 WeakPolarHBondContact CB-O 3.14Å; L414-D423 HydrophobicContact CD2-CB 4.47Å; L414-D423 PolarHBondContact N-O 3.5Å; L414-D423 PolarHBondContact O-N 3.09Å; L414-M436 HydrophobicContact CD1-CE 3.23Å; L414-W452 HydrophobicContact CB-CH2 3.88Å; L414-W452 HydrophobicContact CB-CZ3 4.26Å; L414-W452 HydrophobicContact CD2-CH2 4.37Å; L414-Y454 HydrophobicContact CD1-CD2 4.43Å; L414-Y454 HydrophobicContact CD1-CE2 4.46Å; L414-Y454 HydrophobicContact CD2-CD2 3.64Å; L414-Y454 HydrophobicContact CD2-CE2 4.32Å; L414-Y454 HydrophobicContact CD2-CG 3.95Å
415	C	91.8	Very high	81.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	154.4	178.3	-63.7	0	0	0	0	111	F360 K371 F385 C386 T420	F360-C415 HydrophobicContact CE1-CB 4.36Å; F360-C415 HydrophobicContact CZ-CB 4.18Å; K371-C415 PolarHBondContact NZ-SG 2.69Å; F385-C415 WeakPolarHBondContact CA-O 3.28Å; C386-C415 HydrophobicContact CB-CB 4.35Å; C386-C415 PolarHBondContact N-O 3.04Å; C386-C415 WeakPolarHBondContact O-CA 3.22Å; C386-C415 PolarHBondContact O-N 2.94Å; C415-T420 VanDerWaalsContact CA-O 3.24Å; C415-T420 WeakPolarHBondContact CA-O 3.32Å
416	N	90.2	Very high	84	Confident	36 Å²	36	50.2 Å²	50.2	19%	0.193	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	-179.3	166	69	10.4	0	0	0	111.5	D384 I418 G419 T420 L422	D384-N416 CarbonylContact O-C 3.56Å; N416-I418 WeakPolarHBondContact ND2-CG1 3.41Å; N416-I418 PolarHBondContact O-N 2.92Å; N416-I418 WeakPolarHBondContact OD1-CG1 3.32Å; N416-I418 PolarHBondContact OD1-N 3.32Å; N416-I418 VanDerWaalsContact OD1-N 3.12Å; N416-G419 PolarHBondContact O-N 3.28Å; N416-G419 PolarHBondContact OD1-N 3.2Å; N416-T420 PolarHBondContact N-O 3.46Å; N416-T420 VanDerWaalsContact ND2-CB 3.32Å; N416-T420 WeakPolarHBondContact ND2-CB 3.49Å; N416-T420 PolarHBondContact ND2-OG1 2.97Å; N416-T420 PolarHBondContact OD1-N 3.09Å; N416-L422 HydrophobicContact CB-CD1 4.38Å
417	S	86.9	Confident	86.3	Confident	33 Å²	33	42.7 Å²	42.7	23%	0.231	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-11.8	-179.2	62.6	0	0	0	0	115.5	T343 D384	T343-S417 WeakPolarHBondContact CB-O 3.38Å; T343-S417 WeakPolarHBondContact CG2-O 3.16Å; T343-S417 PolarHBondContact OG1-O 2.87Å; D384-S417 PolarHBondContact O-N 2.89Å; D384-S417 VanDerWaalsContact O-N 3.09Å
418	I	86.7	Confident	87.8	Confident	70 Å²	70	43.1 Å²	43.1	36%	0.359	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	3.4	174.3	60.6	170.3	0	0	0	112.1	H369 N416	H369-I418 VanDerWaalsContact CB-O 3.29Å; H369-I418 WeakPolarHBondContact CB-O 3.29Å; N416-I418 WeakPolarHBondContact ND2-CG1 3.41Å; N416-I418 PolarHBondContact O-N 2.92Å; N416-I418 WeakPolarHBondContact OD1-CG1 3.32Å; N416-I418 PolarHBondContact OD1-N 3.32Å; N416-I418 VanDerWaalsContact OD1-N 3.12Å
419	G	85.4	Confident	88.9	Confident	3 Å²	3	41.4 Å²	41.4	3%	0.031	23%	0.226	C	C	.	.			trans	86.8	4.8	178.1	0	0	0	0	0	115.3	K371 N416	K371-G419 WeakPolarHBondContact CD-O 3.08Å; K371-G419 WeakPolarHBondContact CE-O 3.46Å; K371-G419 PolarHBondContact NZ-O 3.22Å; N416-G419 PolarHBondContact O-N 3.28Å; N416-G419 PolarHBondContact OD1-N 3.2Å
420	T	89.1	Confident	89.2	Confident	66 Å²	66	41.8 Å²	41.8	41%	0.405	23%	0.228	S	C	.	.			trans	-65.5	127.1	172.8	-43.2	0	0	0	0	110.2	C415 N416 L422	C415-T420 VanDerWaalsContact CA-O 3.24Å; C415-T420 WeakPolarHBondContact CA-O 3.32Å; N416-T420 PolarHBondContact N-O 3.46Å; N416-T420 VanDerWaalsContact ND2-CB 3.32Å; N416-T420 WeakPolarHBondContact ND2-CB 3.49Å; N416-T420 PolarHBondContact ND2-OG1 2.97Å; N416-T420 PolarHBondContact OD1-N 3.09Å; T420-L422 PolarHBondContact O-N 2.71Å
421	P	87.6	Confident	89.2	Confident	72 Å²	72	40.9 Å²	40.9	47%	0.468	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	129.1	175.9	30.2	-29.4	0	0	0	109.6	V413 L414	V413-P421 HydrophobicContact CG1-CB 3.93Å; L414-P421 CarbonylContact O-C 3.56Å; L414-P421 WeakPolarHBondContact O-CA 3.33Å
422	L	87.1	Confident	89.1	Confident	83 Å²	83	44 Å²	44	44%	0.435	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	-48.9	176.4	-62.3	178.9	0	0	0	110.9	F385 L414 N416 T420	F385-L422 HydrophobicContact CD1-CD1 3.73Å; F385-L422 HydrophobicContact CE1-CD1 3.7Å; L414-L422 HydrophobicContact CD2-CB 4.22Å; L414-L422 HydrophobicContact CD2-CD1 4.34Å; L414-L422 HydrophobicContact CG-CB 4.24Å; L414-L422 HydrophobicContact CG-CD1 4.33Å; L414-L422 PolarHBondContact O-N 3.17Å; N416-L422 HydrophobicContact CB-CD1 4.38Å; T420-L422 PolarHBondContact O-N 2.71Å
423	D	86.3	Confident	89.1	Confident	76 Å²	76	46.7 Å²	46.7	41%	0.406	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	122.8	-175.7	-160.3	5.8	0	0	0	110.9	L414 W452	L414-D423 HydrophobicContact CB-CB 4.44Å; L414-D423 VanDerWaalsContact CB-O 3.24Å; L414-D423 WeakPolarHBondContact CB-O 3.14Å; L414-D423 HydrophobicContact CD2-CB 4.47Å; L414-D423 PolarHBondContact N-O 3.5Å; L414-D423 PolarHBondContact O-N 3.09Å; D423-W452 HydrophobicContact CB-CH2 4.11Å; D423-W452 HydrophobicContact CB-CZ2 4.1Å; D423-W452 WeakPolarHBondContact OD2-CZ2 3.49Å
424	P	89.8	Confident	89.2	Confident	69 Å²	69	46.3 Å²	46.3	45%	0.448	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	138.4	171.7	34.6	-30.1	0	0	0	111.9	V411 L412	V411-P424 HydrophobicContact CG1-CB 4.16Å; L412-P424 CarbonylContact O-C 3.51Å; L412-P424 WeakPolarHBondContact O-CA 3.34Å
425	K	88.8	Confident	89.2	Confident	53 Å²	53	46.5 Å²	46.5	23%	0.23	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	124.9	175.6	-173.4	68.9	-161.9	-173.5	0	112.3	V411 L412 I427 Y450 W452 E477	V411-K425 CarbonylContact C-O 3.55Å; V411-K425 WeakPolarHBondContact CA-O 3.46Å; L412-K425 HydrophobicContact CB-CB 4.45Å; L412-K425 PolarHBondContact N-O 3.36Å; L412-K425 PolarHBondContact O-N 2.93Å; K425-I427 HydrophobicContact CG-CG2 4.47Å; K425-Y450 WeakPolarHBondContact CE-OH 3.41Å; K425-W452 HydrophobicContact CB-CD2 4.29Å; K425-W452 HydrophobicContact CB-CE3 4.19Å; K425-W452 HydrophobicContact CB-CH2 4.22Å; K425-W452 HydrophobicContact CB-CZ2 4.32Å; K425-W452 HydrophobicContact CB-CZ3 4.14Å; K425-W452 HydrophobicContact CG-CD2 4.46Å; K425-E477 WeakPolarHBondContact CD-OE1 3.23Å; K425-E477 WeakPolarHBondContact CE-OE1 3.28Å; K425-E477 WeakPolarHBondContact CE-OE2 3.32Å; K425-E477 IonicContact NZ-OE1 3.18Å; K425-E477 PolarHBondContact NZ-OE1 3.4Å; K425-E477 IonicContact NZ-OE2 2.95Å; K425-E477 PolarHBondContact NZ-OE2 3.04Å
426	Y	89.1	Confident	89.2	Confident	114 Å²	114	47.2 Å²	47.2	45%	0.447	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	138.1	175.3	-64.8	-94.6	0	0	0	111	F410 V411	F410-Y426 CarbonylContact O-C 3.53Å; F410-Y426 VanDerWaalsContact O-CA 3.32Å; F410-Y426 WeakPolarHBondContact O-CA 3.32Å; V411-Y426 HydrophobicContact CB-CD1 4.49Å; V411-Y426 HydrophobicContact CB-CE1 4.45Å; V411-Y426 HydrophobicContact CG1-CE1 4.37Å; V411-Y426 HydrophobicContact CG2-CD1 3.47Å; V411-Y426 VanDerWaalsContact CG2-CD1 3.47Å; V411-Y426 HydrophobicContact CG2-CE1 3.3Å; V411-Y426 HydrophobicContact CG2-CG 4.34Å
427	I	88.9	Confident	89.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	147.1	178.7	64.9	177.1	0	0	0	110.4	F410 L412 K425 I429 P431 A443 Y450	F410-I427 HydrophobicContact CB-CD1 4.47Å; F410-I427 HydrophobicContact CB-CG1 3.86Å; F410-I427 PolarHBondContact N-O 2.95Å; F410-I427 PolarHBondContact O-N 3.46Å; L412-I427 HydrophobicContact CD1-CD1 4.03Å; L412-I427 HydrophobicContact CD1-CG2 4.36Å; L412-I427 HydrophobicContact CD2-CD1 4.13Å; L412-I427 HydrophobicContact CG-CD1 3.92Å; K425-I427 HydrophobicContact CG-CG2 4.47Å; I427-I429 HydrophobicContact CD1-CG1 4.03Å; I427-I429 HydrophobicContact CG1-CG1 4.5Å; I427-P431 HydrophobicContact CD1-CB 4.04Å; I427-P431 HydrophobicContact CD1-CG 4.3Å; I427-A443 HydrophobicContact CD1-CB 4.19Å; I427-Y450 HydrophobicContact CG2-CD1 3.86Å; I427-Y450 HydrophobicContact CG2-CE1 3.6Å; I427-Y450 HydrophobicContact CG2-CE2 4.33Å; I427-Y450 HydrophobicContact CG2-CG 4.31Å
428	D	86.2	Confident	89.2	Confident	76 Å²	76	50.5 Å²	50.5	41%	0.406	26%	0.264	S	S	.	.	S	Bend	trans	-98.7	14	178.7	-55.4	-38.7	0	0	0	113.3	T409 Y496	T409-D428 WeakPolarHBondContact CG2-OD1 3.45Å; D428-Y496 HydrophobicContact CB-CD1 3.79Å; D428-Y496 HydrophobicContact CB-CE1 3.89Å; D428-Y496 HydrophobicContact CB-CG 4.39Å
429	I	87.8	Confident	89.2	Confident	6 Å²	6	50 Å²	50	3%	0.031	26%	0.264	C	S	.	.	S	Bend	trans	-110.7	143.3	172.5	67.5	166.7	0	0	0	110.3	F410 I427 P431 I479 Y496	F410-I429 WeakPolarHBondContact CD2-O 3.43Å; I427-I429 HydrophobicContact CD1-CG1 4.03Å; I427-I429 HydrophobicContact CG1-CG1 4.5Å; I429-P431 WeakPolarHBondContact O-CD 3.42Å; I429-I479 HydrophobicContact CG2-CD1 3.79Å; I429-Y496 HydrophobicContact CG2-CD1 4.34Å; I429-Y496 HydrophobicContact CG2-CE1 4.41Å
430	V	89.4	Confident	89.4	Confident	60 Å²	60	50.5 Å²	50.5	36%	0.364	27%	0.266	S	S	.	.			trans	-69.7	114.5	176.1	-169.7	0	0	0	0	109.3	F410 L432 S445	F410-V430 HydrophobicContact CE1-CG1 4.18Å; F410-V430 HydrophobicContact CE2-CB 4.08Å; F410-V430 HydrophobicContact CE2-CG1 4.42Å; F410-V430 HydrophobicContact CE2-CG2 3.63Å; F410-V430 HydrophobicContact CZ-CB 4.05Å; F410-V430 HydrophobicContact CZ-CG1 3.91Å; F410-V430 HydrophobicContact CZ-CG2 3.66Å; V430-L432 VanDerWaalsContact C-N 3.26Å; V430-L432 HydrophobicContact CB-CG 4.42Å; V430-L432 HydrophobicContact CG1-CD2 3.78Å; V430-L432 HydrophobicContact CG1-CG 3.91Å; V430-L432 PolarHBondContact O-N 3.32Å; V430-S445 VanDerWaalsContact O-CA 3.24Å; V430-S445 WeakPolarHBondContact O-CA 3.36Å; V430-S445 WeakPolarHBondContact O-CB 3.34Å; V430-S445 PolarHBondContact O-N 3.05Å
431	P	92	Very high	89.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.246	C	C	.	.			trans	-82.1	67.8	-176.2	34.4	-35.5	0	0	0	111.4	I377 A389 F410 L412 I427 I429 F433 V434 A443	I377-P431 HydrophobicContact CD1-CG 3.84Å; I377-P431 WeakPolarHBondContact CG2-O 3.15Å; A389-P431 HydrophobicContact CB-CB 4.21Å; A389-P431 HydrophobicContact CB-CG 3.89Å; F410-P431 HydrophobicContact CB-CG 4.27Å; F410-P431 HydrophobicContact CD1-CG 4.4Å; F410-P431 HydrophobicContact CG-CG 4.42Å; L412-P431 HydrophobicContact CD2-CB 4.25Å; I427-P431 HydrophobicContact CD1-CB 4.04Å; I427-P431 HydrophobicContact CD1-CG 4.3Å; I429-P431 WeakPolarHBondContact O-CD 3.42Å; P431-F433 VanDerWaalsContact C-N 3.35Å; P431-V434 HydrophobicContact CB-CG2 4.12Å; P431-A443 HydrophobicContact CB-CB 3.99Å
432	L	89.6	Confident	89.9	Confident	76 Å²	76	44 Å²	44	40%	0.398	22%	0.224	S	C	.	.			trans	-65.7	-38.4	-179.9	-66.1	176.6	0	0	0	112.2	V430 A444 K446	V430-L432 VanDerWaalsContact C-N 3.26Å; V430-L432 HydrophobicContact CB-CG 4.42Å; V430-L432 HydrophobicContact CG1-CD2 3.78Å; V430-L432 HydrophobicContact CG1-CG 3.91Å; V430-L432 PolarHBondContact O-N 3.32Å; L432-A444 PolarHBondContact N-O 3.1Å; L432-K446 HydrophobicContact CD1-CG 3.87Å
433	F	92.8	Very high	90.3	Very high	55 Å²	55	40 Å²	40	24%	0.241	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	129	177.8	-42.1	-76.3	0	0	0	109.5	P431 A443 A444 I507 C508 I510	P431-F433 VanDerWaalsContact C-N 3.35Å; F433-A443 CarbonylContact O-C 3.59Å; F433-A443 WeakPolarHBondContact O-CA 3.26Å; F433-A444 HydrophobicContact CB-CB 4.35Å; F433-A444 HydrophobicContact CD2-CB 4.32Å; F433-A444 PolarHBondContact N-O 3.17Å; F433-A444 PolarHBondContact O-N 3.34Å; F433-I507 HydrophobicContact CD2-CG2 3.89Å; F433-I507 HydrophobicContact CE2-CB 4.35Å; F433-I507 HydrophobicContact CE2-CG2 3.99Å; F433-I507 VanDerWaalsContact CE2-O 3.29Å; F433-I507 WeakPolarHBondContact CE2-O 3.47Å; F433-C508 WeakPolarHBondContact CE1-O 3.3Å; F433-C508 WeakPolarHBondContact CZ-O 3.2Å; F433-I510 HydrophobicContact CB-CD1 3.99Å; F433-I510 HydrophobicContact CB-CG1 3.78Å; F433-I510 WeakPolarHBondContact O-CD1 3.46Å
434	V	94.8	Very high	90.6	Very high	19 Å²	19	36.4 Å²	36.4	12%	0.115	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.2	-178.7	-176.6	0	0	0	0	109.2	T380 I387 A389 P431 V441 I442	T380-V434 PolarHBondContact OG1-O 3.31Å; I387-V434 HydrophobicContact CG2-CG1 3.71Å; A389-V434 HydrophobicContact CB-CG2 4.17Å; P431-V434 HydrophobicContact CB-CG2 4.12Å; V434-V441 HydrophobicContact CG1-CG1 4.46Å; V434-I442 CarbonylContact C-O 3.57Å; V434-I442 WeakPolarHBondContact CA-O 3.27Å
435	A	93.9	Very high	90.8	Very high	9 Å²	9	33.4 Å²	33.4	7%	0.074	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	147.1	173.9	0	0	0	0	0	109.7	I442 I510 A512	A435-I442 PolarHBondContact N-O 3.06Å; A435-I442 PolarHBondContact O-N 3.37Å; A435-I510 HydrophobicContact CB-CD1 3.98Å; A435-I510 HydrophobicContact CB-CG1 4.07Å; A435-A512 HydrophobicContact CB-CB 4.32Å
436	M	91.8	Very high	90.8	Very high	15 Å²	15	35.8 Å²	35.8	7%	0.074	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130.6	-176.2	-168.5	-178.5	-147.2	0	0	110.5	T380 C382 F385 I387 L414 V441 Y454	T380-M436 HydrophobicContact CG2-CB 3.99Å; C382-M436 HydrophobicContact CB-CB 3.91Å; C382-M436 HydrophobicContact CB-CG 3.72Å; C382-M436 WeakPolarHBondContact CB-O 3.33Å; C382-M436 HydrophobicContact CB-SD 3.96Å; C382-M436 PolarHBondContact SG-O 3.42Å; F385-M436 HydrophobicContact CB-CE 3.68Å; F385-M436 HydrophobicContact CB-SD 4.27Å; I387-M436 HydrophobicContact CB-CE 4.24Å; I387-M436 HydrophobicContact CB-SD 4.43Å; I387-M436 HydrophobicContact CG2-SD 4.35Å; L414-M436 HydrophobicContact CD1-CE 3.23Å; M436-V441 HydrophobicContact CE-CG2 3.86Å; M436-V441 HydrophobicContact CG-CG2 4.22Å; M436-Y454 HydrophobicContact CE-CE1 3.91Å; M436-Y454 HydrophobicContact CG-CE1 4.46Å
437	T	90.5	Very high	90.9	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.012	17%	0.167	C	C	.	.			trans	-107.2	-178.2	169.5	69.8	0	0	0	0	109.1	T439 H440 I442 Y454 A512 S513 L531	T437-T439 PolarHBondContact O-N 3.35Å; T437-T439 VanDerWaalsContact O-N 3.12Å; T437-T439 PolarHBondContact OG1-N 3.08Å; T437-H440 PolarHBondContact N-O 2.9Å; T437-H440 PolarHBondContact OG1-N 3.45Å; T437-H440 PolarHBondContact OG1-O 3.29Å; T437-I442 HydrophobicContact CG2-CD1 4.39Å; T437-Y454 PolarHBondContact O-OH 2.93Å; T437-A512 HydrophobicContact CG2-CB 3.74Å; T437-S513 WeakPolarHBondContact CG2-O 3.28Å; T437-L531 HydrophobicContact CG2-CD1 4.45Å
438	K	86.1	Confident	91	Very high	137 Å²	137	33.1 Å²	33.1	60%	0.596	17%	0.167	S	C	*	.	S	Bend	trans	-65.7	-15.2	178.2	-66.1	174.3	-173.7	155.6	0	113.9	Y454 D514	K438-Y454 VanDerWaalsContact C-OH 3.23Å; K438-Y454 PolarHBondContact O-OH 2.9Å; K438-D514 PolarHBondContact N-OD1 3.47Å; K438-D514 IonicContact NZ-OD2 2.79Å
439	T	85.8	Confident	91.3	Very high	59 Å²	59	29.5 Å²	29.5	36%	0.362	15%	0.147	S	C	.	.	S	Bend	trans	-134.3	-18.6	-169.6	54.5	0	0	0	0	114.1	T437 Q453 Y454	T437-T439 PolarHBondContact O-N 3.35Å; T437-T439 VanDerWaalsContact O-N 3.12Å; T437-T439 PolarHBondContact OG1-N 3.08Å; T439-Q453 WeakPolarHBondContact O-CA 3.49Å; T439-Y454 WeakPolarHBondContact O-CD1 3.35Å; T439-Y454 PolarHBondContact O-N 3.13Å
440	H	89.9	Confident	91.5	Very high	14 Å²	14	29.2 Å²	29.2	7%	0.065	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143	-176.6	-61.3	73	0	0	0	111.2	T437 I442 W452	T437-H440 PolarHBondContact N-O 2.9Å; T437-H440 PolarHBondContact OG1-N 3.45Å; T437-H440 PolarHBondContact OG1-O 3.29Å; H440-I442 HydrophobicContact CB-CD1 4.42Å; H440-W452 CarbonylContact C-O 3.54Å; H440-W452 VanDerWaalsContact CA-O 3.25Å; H440-W452 WeakPolarHBondContact CA-O 3.16Å
441	V	93.3	Very high	91.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	130.6	164	176	0	0	0	0	107.3	I387 L412 V434 M436 T451 W452 Y454	I387-V441 HydrophobicContact CD1-CG1 4.36Å; I387-V441 HydrophobicContact CD1-CG2 4.23Å; I387-V441 HydrophobicContact CG1-CG1 4.15Å; L412-V441 HydrophobicContact CD1-CG1 4.08Å; V434-V441 HydrophobicContact CG1-CG1 4.46Å; M436-V441 HydrophobicContact CE-CG2 3.86Å; M436-V441 HydrophobicContact CG-CG2 4.22Å; V441-T451 WeakPolarHBondContact O-CA 3.26Å; V441-W452 HydrophobicContact CB-CE3 3.87Å; V441-W452 HydrophobicContact CG1-CE3 4.35Å; V441-W452 HydrophobicContact CG2-CE3 3.94Å; V441-W452 HydrophobicContact CG2-CZ3 4.25Å; V441-W452 PolarHBondContact N-O 2.93Å; V441-W452 PolarHBondContact O-N 3.2Å; V441-Y454 HydrophobicContact CG2-CD1 3.78Å; V441-Y454 HydrophobicContact CG2-CE1 3.93Å
442	I	94.6	Very high	91.6	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.9	173.2	-57.2	100.3	0	0	0	107.9	V434 A435 T437 H440 F449 Y450 T451 I510 A512 L517 L531	V434-I442 CarbonylContact C-O 3.57Å; V434-I442 WeakPolarHBondContact CA-O 3.27Å; A435-I442 PolarHBondContact N-O 3.06Å; A435-I442 PolarHBondContact O-N 3.37Å; T437-I442 HydrophobicContact CG2-CD1 4.39Å; H440-I442 HydrophobicContact CB-CD1 4.42Å; I442-F449 HydrophobicContact CG2-CD2 4.43Å; I442-Y450 CarbonylContact C-O 3.11Å; I442-Y450 VanDerWaalsContact CA-O 3.29Å; I442-Y450 WeakPolarHBondContact CA-O 3.26Å; I442-T451 HydrophobicContact CG1-CG2 3.95Å; I442-T451 HydrophobicContact CG2-CG2 4.32Å; I442-I510 HydrophobicContact CB-CD1 4.45Å; I442-I510 HydrophobicContact CG2-CD1 3.94Å; I442-A512 HydrophobicContact CD1-CB 3.75Å; I442-L517 HydrophobicContact CD1-CD1 4.46Å; I442-L517 HydrophobicContact CG1-CD1 4.3Å; I442-L517 HydrophobicContact CG2-CD1 4.09Å; I442-L517 HydrophobicContact CG2-CD2 4.27Å; I442-L531 HydrophobicContact CD1-CD1 4.49Å
443	A	94.6	Very high	91.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.5	173.3	0	0	0	0	0	109	L412 I427 P431 F433 F449 Y450	L412-A443 HydrophobicContact CD1-CB 4.04Å; L412-A443 HydrophobicContact CD2-CB 4.4Å; I427-A443 HydrophobicContact CD1-CB 4.19Å; P431-A443 HydrophobicContact CB-CB 3.99Å; F433-A443 CarbonylContact O-C 3.59Å; F433-A443 WeakPolarHBondContact O-CA 3.26Å; A443-F449 CarbonylContact O-C 3.57Å; A443-F449 WeakPolarHBondContact O-CA 3.33Å; A443-Y450 PolarHBondContact N-O 2.63Å; A443-Y450 PolarHBondContact O-N 3.46Å
444	A	93.8	Very high	91.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.4	-178.7	0	0	0	0	0	111.9	L432 F433 A448 F449 I507 I510	L432-A444 PolarHBondContact N-O 3.1Å; F433-A444 HydrophobicContact CB-CB 4.35Å; F433-A444 HydrophobicContact CD2-CB 4.32Å; F433-A444 PolarHBondContact N-O 3.17Å; F433-A444 PolarHBondContact O-N 3.34Å; A444-A448 CarbonylContact C-O 3.56Å; A444-A448 WeakPolarHBondContact CA-O 3.43Å; A444-F449 HydrophobicContact CB-CB 3.72Å; A444-I507 HydrophobicContact CB-CD1 4.17Å; A444-I510 HydrophobicContact CB-CD1 4.02Å; A444-I510 HydrophobicContact CB-CG2 4.01Å
445	S	92.5	Very high	90	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.042	13%	0.133	C	C	.	.			trans	-88.8	-164.5	163.2	76.7	0	0	0	0	109.8	V430 E447 A448	V430-S445 VanDerWaalsContact O-CA 3.24Å; V430-S445 WeakPolarHBondContact O-CA 3.36Å; V430-S445 WeakPolarHBondContact O-CB 3.34Å; V430-S445 PolarHBondContact O-N 3.05Å; S445-E447 PolarHBondContact OG-N 3.45Å; S445-E447 PolarHBondContact OG-OE2 2.81Å; S445-A448 PolarHBondContact N-O 2.85Å; S445-A448 PolarHBondContact OG-N 3.37Å; S445-A448 VanDerWaalsContact OG-N 3.14Å; S445-A448 PolarHBondContact OG-O 3.48Å
446	K	90.5	Very high	88.5	Confident	103 Å²	103	31.6 Å²	31.6	45%	0.448	15%	0.146	S	C	.	.	S	Bend	trans	-75.3	-27.7	172.6	-75	-177.9	-178.3	179.7	0	112	L432 P506 I507	L432-K446 HydrophobicContact CD1-CG 3.87Å; K446-P506 HydrophobicContact CB-CB 3.79Å; K446-P506 HydrophobicContact CG-CB 4.33Å; K446-P506 CarbonylContact O-C 3.55Å; K446-P506 WeakPolarHBondContact O-CA 3.34Å; K446-P506 WeakPolarHBondContact O-CB 3.38Å; K446-I507 PolarHBondContact O-N 2.81Å
447	E	90.6	Very high	86.5	Confident	58 Å²	58	35.7 Å²	35.7	27%	0.271	18%	0.182	S	C	.	.	S	Bend	trans	-103.8	-34.5	-170.8	-54	74.4	-161	0	0	112.6	S445 V482 T503	S445-E447 PolarHBondContact OG-N 3.45Å; S445-E447 PolarHBondContact OG-OE2 2.81Å; E447-V482 VanDerWaalsContact O-CB 3.29Å; E447-V482 WeakPolarHBondContact O-CB 3.49Å; E447-V482 VanDerWaalsContact O-CG1 3.25Å; E447-V482 WeakPolarHBondContact O-CG1 3.34Å; E447-V482 PolarHBondContact O-N 2.91Å; E447-T503 HydrophobicContact CG-CG2 4.38Å
448	A	91.6	Very high	84.3	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	161.8	-170.5	0	0	0	0	0	112.5	A444 S445 Y480 A499	A444-A448 CarbonylContact C-O 3.56Å; A444-A448 WeakPolarHBondContact CA-O 3.43Å; S445-A448 PolarHBondContact N-O 2.85Å; S445-A448 PolarHBondContact OG-N 3.37Å; S445-A448 VanDerWaalsContact OG-N 3.14Å; S445-A448 PolarHBondContact OG-O 3.48Å; A448-Y480 VanDerWaalsContact CA-O 3.3Å; A448-Y480 WeakPolarHBondContact CA-O 3.44Å; A448-Y480 WeakPolarHBondContact CB-O 3.47Å; A448-A499 HydrophobicContact CB-CB 3.77Å; A448-A499 WeakPolarHBondContact CB-O 3.39Å
449	F	92.4	Very high	82.1	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143	170.8	69.3	-87.6	0	0	0	111.6	I442 A443 A444 T451 Y480 I507 L517 V519 Y529 V534	I442-F449 HydrophobicContact CG2-CD2 4.43Å; A443-F449 CarbonylContact O-C 3.57Å; A443-F449 WeakPolarHBondContact O-CA 3.33Å; A444-F449 HydrophobicContact CB-CB 3.72Å; F449-T451 HydrophobicContact CD2-CG2 4.02Å; F449-T451 HydrophobicContact CE2-CG2 4.12Å; F449-Y480 AromaticContact CE2-CD2 3.81Å; F449-Y480 HydrophobicContact CE2-CD2 3.81Å; F449-Y480 HydrophobicContact CE2-CG 4.41Å; F449-Y480 AromaticContact CZ-CD2 3.91Å; F449-Y480 HydrophobicContact CZ-CD2 3.91Å; F449-Y480 HydrophobicContact CZ-CG 4.1Å; F449-Y480 PolarHBondContact N-O 2.78Å; F449-Y480 PolarHBondContact O-N 3.08Å; F449-I507 HydrophobicContact CB-CD1 4.48Å; F449-L517 HydrophobicContact CD2-CD2 3.88Å; F449-L517 HydrophobicContact CE2-CD2 3.62Å; F449-L517 HydrophobicContact CZ-CD2 4.3Å; F449-V519 HydrophobicContact CD1-CG2 4.39Å; F449-Y529 HydrophobicContact CE1-CE1 4.41Å; F449-Y529 HydrophobicContact CE1-CE2 4.21Å; F449-Y529 AromaticContact CE1-CZ 3.96Å; F449-Y529 HydrophobicContact CZ-CD1 4.34Å; F449-Y529 HydrophobicContact CZ-CE1 4.05Å; F449-Y529 HydrophobicContact CZ-CE2 4.24Å; F449-V534 HydrophobicContact CE2-CG1 3.69Å; F449-V534 HydrophobicContact CZ-CG1 3.87Å
450	Y	92	Very high	80	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.3	-178.6	172.1	-99.1	0	0	0	109.4	L412 K425 I427 I442 A443 W452 E477 R478 I479 L494	L412-Y450 HydrophobicContact CD1-CD1 4.37Å; L412-Y450 HydrophobicContact CD1-CE1 4.27Å; K425-Y450 WeakPolarHBondContact CE-OH 3.41Å; I427-Y450 HydrophobicContact CG2-CD1 3.86Å; I427-Y450 HydrophobicContact CG2-CE1 3.6Å; I427-Y450 HydrophobicContact CG2-CE2 4.33Å; I427-Y450 HydrophobicContact CG2-CG 4.31Å; I442-Y450 CarbonylContact C-O 3.11Å; I442-Y450 VanDerWaalsContact CA-O 3.29Å; I442-Y450 WeakPolarHBondContact CA-O 3.26Å; A443-Y450 PolarHBondContact N-O 2.63Å; A443-Y450 PolarHBondContact O-N 3.46Å; Y450-W452 HydrophobicContact CD1-CB 4.44Å; Y450-W452 HydrophobicContact CE1-CB 3.57Å; Y450-E477 HydrophobicContact CE2-CB 4.17Å; Y450-E477 HydrophobicContact CE2-CG 4.47Å; Y450-E477 VanDerWaalsContact OH-CD 3.27Å; Y450-E477 VanDerWaalsContact OH-CG 3.27Å; Y450-E477 WeakPolarHBondContact OH-CG 3.32Å; Y450-E477 PolarHBondContact OH-OE2 3.47Å; Y450-R478 CarbonylContact C-O 3.55Å; Y450-R478 WeakPolarHBondContact CA-O 3.46Å; Y450-I479 HydrophobicContact CD2-CB 4.42Å; Y450-L494 HydrophobicContact CE2-CD2 4.38Å
451	T	91.1	Very high	78	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.8	177	67.1	0	0	0	0	110.1	V441 I442 F449 E477 R478 V534	V441-T451 WeakPolarHBondContact O-CA 3.26Å; I442-T451 HydrophobicContact CG1-CG2 3.95Å; I442-T451 HydrophobicContact CG2-CG2 4.32Å; F449-T451 HydrophobicContact CD2-CG2 4.02Å; F449-T451 HydrophobicContact CE2-CG2 4.12Å; T451-E477 WeakPolarHBondContact O-CA 3.2Å; T451-R478 PolarHBondContact N-O 3.31Å; T451-R478 PolarHBondContact O-N 3.16Å; T451-V534 HydrophobicContact CG2-CG2 4.3Å
452	W	90.8	Very high	75.7	Confident	6 Å²	6	54.1 Å²	54.1	2%	0.023	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.9	178.7	168.1	44	0	0	0	110.5	I387 L412 L414 D423 K425 H440 V441 Y450	I387-W452 HydrophobicContact CD1-CZ3 3.91Å; L412-W452 HydrophobicContact CB-CZ3 4.44Å; L414-W452 HydrophobicContact CB-CH2 3.88Å; L414-W452 HydrophobicContact CB-CZ3 4.26Å; L414-W452 HydrophobicContact CD2-CH2 4.37Å; D423-W452 HydrophobicContact CB-CH2 4.11Å; D423-W452 HydrophobicContact CB-CZ2 4.1Å; D423-W452 WeakPolarHBondContact OD2-CZ2 3.49Å; K425-W452 HydrophobicContact CB-CD2 4.29Å; K425-W452 HydrophobicContact CB-CE3 4.19Å; K425-W452 HydrophobicContact CB-CH2 4.22Å; K425-W452 HydrophobicContact CB-CZ2 4.32Å; K425-W452 HydrophobicContact CB-CZ3 4.14Å; K425-W452 HydrophobicContact CG-CD2 4.46Å; H440-W452 CarbonylContact C-O 3.54Å; H440-W452 VanDerWaalsContact CA-O 3.25Å; H440-W452 WeakPolarHBondContact CA-O 3.16Å; V441-W452 HydrophobicContact CB-CE3 3.87Å; V441-W452 HydrophobicContact CG1-CE3 4.35Å; V441-W452 HydrophobicContact CG2-CE3 3.94Å; V441-W452 HydrophobicContact CG2-CZ3 4.25Å; V441-W452 PolarHBondContact N-O 2.93Å; V441-W452 PolarHBondContact O-N 3.2Å; Y450-W452 HydrophobicContact CD1-CB 4.44Å; Y450-W452 HydrophobicContact CE1-CB 3.57Å
453	Q	88.1	Confident	73.3	Confident	41 Å²	41	61.1 Å²	61.1	19%	0.192	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	110.2	173.3	-170.6	-178.9	20	0	0	110.7	T439 R476	T439-Q453 WeakPolarHBondContact O-CA 3.49Å; Q453-R476 PolarHBondContact N-O 3.21Å
454	Y	84.6	Confident	70.9	Confident	10 Å²	10	65 Å²	65	4%	0.039	34%	0.337	C	S	.	.			trans	-94.5	142.3	176.1	69.7	-86.4	0	0	0	110.8	F385 L414 M436 T437 K438 T439 V441 V456	F385-Y454 AromaticContact CD2-CE2 3.92Å; F385-Y454 HydrophobicContact CD2-CE2 3.92Å; F385-Y454 HydrophobicContact CE2-CE2 4.2Å; F385-Y454 HydrophobicContact CG-CE2 4.22Å; L414-Y454 HydrophobicContact CD1-CD2 4.43Å; L414-Y454 HydrophobicContact CD1-CE2 4.46Å; L414-Y454 HydrophobicContact CD2-CD2 3.64Å; L414-Y454 HydrophobicContact CD2-CE2 4.32Å; L414-Y454 HydrophobicContact CD2-CG 3.95Å; M436-Y454 HydrophobicContact CE-CE1 3.91Å; M436-Y454 HydrophobicContact CG-CE1 4.46Å; T437-Y454 PolarHBondContact O-OH 2.93Å; K438-Y454 VanDerWaalsContact C-OH 3.23Å; K438-Y454 PolarHBondContact O-OH 2.9Å; T439-Y454 WeakPolarHBondContact O-CD1 3.35Å; T439-Y454 PolarHBondContact O-N 3.13Å; V441-Y454 HydrophobicContact CG2-CD1 3.78Å; V441-Y454 HydrophobicContact CG2-CE1 3.93Å; Y454-V456 HydrophobicContact CD2-CG2 3.88Å; Y454-V456 HydrophobicContact CE2-CG2 3.95Å
455	R	71.4	Confident	68.7	Low	154 Å²	154	69.3 Å²	69.3	58%	0.581	36%	0.359	S	S	*	.			trans	-117.3	124	178.9	-66.9	-173.9	-178	-177.8	2.5	109.9
456	V	61.8	Low	66.3	Low	55 Å²	55	75.1 Å²	75.1	33%	0.333	39%	0.389	S	S	.	.			trans	-102	128	176	-176	0	0	0	0	109.8	F385 Y454 K458	F385-V456 HydrophobicContact CD1-CG2 4.44Å; F385-V456 HydrophobicContact CE1-CB 4.41Å; F385-V456 HydrophobicContact CE1-CG1 4.08Å; F385-V456 HydrophobicContact CE1-CG2 3.59Å; F385-V456 HydrophobicContact CE2-CG2 3.94Å; F385-V456 HydrophobicContact CZ-CB 3.92Å; F385-V456 HydrophobicContact CZ-CG1 3.81Å; F385-V456 HydrophobicContact CZ-CG2 3.31Å; Y454-V456 HydrophobicContact CD2-CG2 3.88Å; Y454-V456 HydrophobicContact CE2-CG2 3.95Å; V456-K458 HydrophobicContact CG1-CG 4.34Å; V456-K458 PolarHBondContact O-N 3.3Å
457	A	50.8	Low	64.2	Low	101 Å²	101	77.3 Å²	77.3	84%	0.835	40%	0.401	S	S	*	.			trans	-71.8	74.2	174.7	0	0	0	0	0	111.3
458	K	44.3	Very low	62	Low	137 Å²	137	77.8 Å²	77.8	60%	0.596	41%	0.405	S	S	*	.	S	Bend	trans	-117	124.8	164.3	-81.1	-175.6	179.8	176.9	0	109.2	D384 V456 L460	D384-K458 IonicContact OD2-NZ 3.68Å; D384-K458 PolarHBondContact OD2-NZ 2.92Å; V456-K458 HydrophobicContact CG1-CG 4.34Å; V456-K458 PolarHBondContact O-N 3.3Å; K458-L460 PolarHBondContact O-N 3.47Å; K458-L460 VanDerWaalsContact O-N 3.13Å
459	K	39.8	Very low	59.7	Low	215 Å²	215	82.9 Å²	82.9	94%	0.935	44%	0.436	S	S	*	.			trans	13.9	75.4	175.4	-71	-175.5	178.8	178.3	0	116
460	L	40.9	Very low	57.3	Low	83 Å²	83	94.1 Å²	94.1	44%	0.435	48%	0.479	S	S	.	.			trans	-71.3	137.3	165	-71.8	152	0	0	0	109.2	K458 E464 I468	K458-L460 PolarHBondContact O-N 3.47Å; K458-L460 VanDerWaalsContact O-N 3.13Å; L460-E464 WeakPolarHBondContact CA-OE2 3.17Å; L460-E464 HydrophobicContact CB-CB 4.22Å; L460-E464 HydrophobicContact CD2-CB 3.8Å; L460-E464 HydrophobicContact CD2-CG 4.27Å; L460-E464 WeakPolarHBondContact CD2-OE2 3.26Å; L460-I468 HydrophobicContact CD1-CD1 3.57Å; L460-I468 HydrophobicContact CD2-CD1 4.45Å; L460-I468 HydrophobicContact CG-CD1 4.47Å
461	T	49.2	Very low	55	Low	87 Å²	87	96.6 Å²	96.6	53%	0.534	50%	0.496	S	S	.	.			trans	-69.2	152.4	172.4	51.5	0	0	0	0	109.9	L463 E464 I465	T461-L463 PolarHBondContact O-N 3.3Å; T461-E464 PolarHBondContact N-OE2 2.77Å; T461-E464 PolarHBondContact O-N 3Å; T461-E464 PolarHBondContact OG1-OE2 2.77Å; T461-I465 PolarHBondContact O-N 3Å
462	A	45.3	Very low	52.7	Low	77 Å²	77	108 Å²	108	64%	0.636	54%	0.539	S	S	*	.	H	α-helix	trans	-54.9	-21.9	-177.1	0	0	0	0	0	114.3
463	L	43.7	Very low	50.4	Low	147 Å²	147	116.5 Å²	116.5	77%	0.77	58%	0.575	S	S	*	*	H	α-helix	trans	-69.9	-35.1	173.9	-96.4	137	0	0	0	113.5	T461	T461-L463 PolarHBondContact O-N 3.3Å
464	E	43.9	Very low	48.1	Very low	83 Å²	83	122.7 Å²	122.7	39%	0.388	60%	0.604	S	S	.	*	H	α-helix	trans	-76.6	-28.9	178.5	-67.3	163.6	136.6	0	0	110.9	L460 T461 N466 Q467 I468	L460-E464 WeakPolarHBondContact CA-OE2 3.17Å; L460-E464 HydrophobicContact CB-CB 4.22Å; L460-E464 HydrophobicContact CD2-CB 3.8Å; L460-E464 HydrophobicContact CD2-CG 4.27Å; L460-E464 WeakPolarHBondContact CD2-OE2 3.26Å; T461-E464 PolarHBondContact N-OE2 2.77Å; T461-E464 PolarHBondContact O-N 3Å; T461-E464 PolarHBondContact OG1-OE2 2.77Å; E464-N466 VanDerWaalsContact C-N 3.3Å; E464-N466 PolarHBondContact O-N 3.04Å; E464-Q467 PolarHBondContact O-N 3.12Å; E464-Q467 VanDerWaalsContact O-N 3.16Å; E464-I468 VanDerWaalsContact O-CD1 3.26Å; E464-I468 WeakPolarHBondContact O-CD1 3.33Å; E464-I468 WeakPolarHBondContact O-CG1 3.31Å; E464-I468 PolarHBondContact O-N 3.18Å
465	I	48.1	Very low	46.7	Very low	90 Å²	90	123.4 Å²	123.4	46%	0.462	62%	0.615	S	S	.	*	H	α-helix	trans	-61.4	-36.1	175.8	-58.8	178.9	0	0	0	111.9	T461 I468 T469	T461-I465 PolarHBondContact O-N 3Å; I465-I468 PolarHBondContact O-N 2.81Å; I465-T469 PolarHBondContact O-N 2.79Å
466	N	41.5	Very low	46.7	Very low	127 Å²	127	122.3 Å²	122.3	68%	0.679	61%	0.611	S	S	*	*	H	α-helix	trans	-76.8	-19.8	177.7	-83.6	-25.6	0	0	0	114.1	E464 T469	E464-N466 VanDerWaalsContact C-N 3.3Å; E464-N466 PolarHBondContact O-N 3.04Å; N466-T469 PolarHBondContact O-OG1 3.13Å
467	Q	46.3	Very low	47.7	Very low	150 Å²	150	121.5 Å²	121.5	70%	0.701	60%	0.603	S	S	*	*	H	α-helix	trans	-82	-28.4	168.6	-73	-175.3	-14.6	0	0	111.6	E464 T469 R470	E464-Q467 PolarHBondContact O-N 3.12Å; E464-Q467 VanDerWaalsContact O-N 3.16Å; Q467-T469 PolarHBondContact O-N 3.46Å; Q467-R470 PolarHBondContact O-N 3.04Å
468	I	44.7	Very low	49.3	Very low	67 Å²	67	117.9 Å²	117.9	34%	0.344	57%	0.568	S	S	.	*	H	α-helix	trans	-68.4	-31.8	-178.6	-73.1	162.3	0	0	0	113	L460 E464 I465 R470 S471	L460-I468 HydrophobicContact CD1-CD1 3.57Å; L460-I468 HydrophobicContact CD2-CD1 4.45Å; L460-I468 HydrophobicContact CG-CD1 4.47Å; E464-I468 VanDerWaalsContact O-CD1 3.26Å; E464-I468 WeakPolarHBondContact O-CD1 3.33Å; E464-I468 WeakPolarHBondContact O-CG1 3.31Å; E464-I468 PolarHBondContact O-N 3.18Å; I465-I468 PolarHBondContact O-N 2.81Å; I468-R470 PolarHBondContact O-N 3.12Å; I468-S471 PolarHBondContact O-N 3.08Å
469	T	42.6	Very low	51.4	Low	107 Å²	107	112.4 Å²	112.4	66%	0.656	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-14.6	176.9	31.3	0	0	0	0	114	I465 N466 Q467	I465-T469 PolarHBondContact O-N 2.79Å; N466-T469 PolarHBondContact O-OG1 3.13Å; Q467-T469 PolarHBondContact O-N 3.46Å
470	R	42.5	Very low	53.6	Low	237 Å²	237	103.6 Å²	103.6	89%	0.894	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-14.8	176.1	-77.3	-175.5	169	-176.6	-2.8	114.9	Q467 I468	Q467-R470 PolarHBondContact O-N 3.04Å; I468-R470 PolarHBondContact O-N 3.12Å
471	S	42.8	Very low	56	Low	52 Å²	52	100.3 Å²	100.3	36%	0.364	49%	0.489	S	S	.	.			trans	-119.7	45.3	-175.5	95	0	0	0	0	113.9	I468 K473	I468-S471 PolarHBondContact O-N 3.08Å; S471-K473 PolarHBondContact O-N 3.29Å
472	R	43	Very low	57.8	Low	243 Å²	243	96.1 Å²	96.1	92%	0.917	46%	0.463	S	S	*	.			trans	-70.8	21.6	173.1	-105.4	-172.1	-176.8	-177.5	1	114.6
473	K	42.2	Very low	59.8	Low	183 Å²	183	95.8 Å²	95.8	80%	0.796	45%	0.451	S	S	*	.	S	Bend	trans	-97.3	136.5	167.1	-76.7	-171.3	172.4	-170.7	0	108	S471	S471-K473 PolarHBondContact O-N 3.29Å
474	E	41.7	Very low	61.7	Low	171 Å²	171	92.2 Å²	92.2	80%	0.799	43%	0.432	S	S	*	.			trans	-15.4	147.5	175.1	-67.9	145.9	158.3	0	0	116.3	R476	E474-R476 PolarHBondContact O-N 3.13Å
475	G	53.5	Low	63.5	Low	25 Å²	25	93 Å²	93	26%	0.258	44%	0.442	S	S	.	.			trans	-45	136.2	166.9	0	0	0	0	0	109.8	E477	G475-E477 WeakPolarHBondContact O-CG 3.35Å; G475-E477 PolarHBondContact O-N 2.84Å
476	R	72.1	Confident	65.1	Low	131 Å²	131	89.4 Å²	89.4	49%	0.494	43%	0.425	S	S	.	.			trans	-64.4	107.1	-177.7	-75	-179.2	174.8	172.3	-2.6	108.4	Q453 E474	Q453-R476 PolarHBondContact N-O 3.21Å; E474-R476 PolarHBondContact O-N 3.13Å
477	E	82.9	Confident	66.6	Low	38 Å²	38	87.5 Å²	87.5	18%	0.178	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	137	177	-69.5	168.7	-162.9	0	0	108.9	K425 Y450 T451 G475 L494	K425-E477 WeakPolarHBondContact CD-OE1 3.23Å; K425-E477 WeakPolarHBondContact CE-OE1 3.28Å; K425-E477 WeakPolarHBondContact CE-OE2 3.32Å; K425-E477 IonicContact NZ-OE1 3.18Å; K425-E477 PolarHBondContact NZ-OE1 3.4Å; K425-E477 IonicContact NZ-OE2 2.95Å; K425-E477 PolarHBondContact NZ-OE2 3.04Å; Y450-E477 HydrophobicContact CE2-CB 4.17Å; Y450-E477 HydrophobicContact CE2-CG 4.47Å; Y450-E477 VanDerWaalsContact OH-CD 3.27Å; Y450-E477 VanDerWaalsContact OH-CG 3.27Å; Y450-E477 WeakPolarHBondContact OH-CG 3.32Å; Y450-E477 PolarHBondContact OH-OE2 3.47Å; T451-E477 WeakPolarHBondContact O-CA 3.2Å; G475-E477 WeakPolarHBondContact O-CG 3.35Å; G475-E477 PolarHBondContact O-N 2.84Å; E477-L494 HydrophobicContact CB-CD2 4.28Å
478	R	84.9	Confident	67.5	Low	25 Å²	25	81 Å²	81	9%	0.094	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.4	-178.4	-55.8	174	171	-171	-7	109.4	Y450 T451 Y480 D491 P532 N533	Y450-R478 CarbonylContact C-O 3.55Å; Y450-R478 WeakPolarHBondContact CA-O 3.46Å; T451-R478 PolarHBondContact N-O 3.31Å; T451-R478 PolarHBondContact O-N 3.16Å; R478-Y480 HydrophobicContact CB-CD2 4.35Å; R478-Y480 HydrophobicContact CB-CE2 3.6Å; R478-Y480 WeakPolarHBondContact CD-OH 3.49Å; R478-Y480 HydrophobicContact CG-CE2 4.45Å; R478-D491 IonicContact CZ-OD1 3.5Å; R478-D491 IonicContact NE-OD1 2.68Å; R478-D491 IonicContact NH2-OD1 3.95Å; R478-D491 PolarHBondContact NH2-OD1 3.33Å; R478-P532 PolarHBondContact NH1-O 2.87Å; R478-N533 VanDerWaalsContact NH1-C 3.27Å; R478-N533 PolarHBondContact NH1-O 3.4Å
479	I	87.4	Confident	68	Low	23 Å²	23	82.5 Å²	82.5	12%	0.118	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	135.3	173.8	-170.2	166.1	0	0	0	108.4	I429 Y450 L494 Y496 A499	I429-I479 HydrophobicContact CG2-CD1 3.79Å; Y450-I479 HydrophobicContact CD2-CB 4.42Å; I479-L494 HydrophobicContact CB-CD2 4.37Å; I479-L494 HydrophobicContact CG2-CD2 4.01Å; I479-Y496 HydrophobicContact CD1-CD1 3.65Å; I479-Y496 HydrophobicContact CD1-CE1 3.67Å; I479-Y496 HydrophobicContact CD1-CG 4.48Å; I479-A499 HydrophobicContact CD1-CB 3.43Å; I479-A499 VanDerWaalsContact CD1-CB 3.43Å; I479-A499 HydrophobicContact CG1-CB 3.92Å
480	Y	87.4	Confident	68.6	Low	30 Å²	30	84.6 Å²	84.6	12%	0.118	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	133.2	179.3	-64.1	-76.2	0	0	0	109.6	A448 F449 R478 P486 V534	A448-Y480 VanDerWaalsContact CA-O 3.3Å; A448-Y480 WeakPolarHBondContact CA-O 3.44Å; A448-Y480 WeakPolarHBondContact CB-O 3.47Å; F449-Y480 AromaticContact CE2-CD2 3.81Å; F449-Y480 HydrophobicContact CE2-CD2 3.81Å; F449-Y480 HydrophobicContact CE2-CG 4.41Å; F449-Y480 AromaticContact CZ-CD2 3.91Å; F449-Y480 HydrophobicContact CZ-CD2 3.91Å; F449-Y480 HydrophobicContact CZ-CG 4.1Å; F449-Y480 PolarHBondContact N-O 2.78Å; F449-Y480 PolarHBondContact O-N 3.08Å; R478-Y480 HydrophobicContact CB-CD2 4.35Å; R478-Y480 HydrophobicContact CB-CE2 3.6Å; R478-Y480 WeakPolarHBondContact CD-OH 3.49Å; R478-Y480 HydrophobicContact CG-CE2 4.45Å; Y480-P486 HydrophobicContact CD1-CB 3.78Å; Y480-P486 HydrophobicContact CD1-CG 4.06Å; Y480-P486 HydrophobicContact CE1-CB 3.51Å; Y480-P486 HydrophobicContact CE1-CG 4.21Å; Y480-P486 HydrophobicContact CG-CG 4.49Å; Y480-V534 HydrophobicContact CD2-CB 4.33Å; Y480-V534 HydrophobicContact CD2-CG1 3.67Å; Y480-V534 HydrophobicContact CE2-CB 3.6Å; Y480-V534 HydrophobicContact CE2-CG1 3.46Å; Y480-V534 VanDerWaalsContact CE2-CG1 3.46Å; Y480-V534 HydrophobicContact CE2-CG2 4.04Å
481	H	89.7	Confident	69	Low	13 Å²	13	78.7 Å²	78.7	6%	0.06	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	142.2	166.4	-172.9	-89.8	0	0	0	109	D483 D484 K498 Q501	H481-D483 IonicContact CE1-OD2 2.7Å; H481-D483 PolarHBondContact CE1-OD2 2.86Å; H481-D483 PolarHBondContact ND1-N 2.85Å; H481-D483 IonicContact ND1-OD2 3.66Å; H481-D483 PolarHBondContact O-N 3.41Å; H481-D483 VanDerWaalsContact O-N 3.15Å; H481-D484 WeakPolarHBondContact CB-OD2 2.87Å; H481-D484 WeakPolarHBondContact O-CB 3.43Å; H481-D484 PolarHBondContact O-N 2.59Å; H481-K498 PolarHBondContact CD2-O 3.43Å; H481-K498 VanDerWaalsContact CD2-O 3.24Å; H481-Q501 PolarHBondContact NE2-O 3.47Å
482	V	87.1	Confident	69.4	Low	0 Å²	0	79 Å²	79	0%	0	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-23.1	-171	73.2	0	0	0	0	113.9	E447 T503 I507 V519 R521 Q527	E447-V482 VanDerWaalsContact O-CB 3.29Å; E447-V482 WeakPolarHBondContact O-CB 3.49Å; E447-V482 VanDerWaalsContact O-CG1 3.25Å; E447-V482 WeakPolarHBondContact O-CG1 3.34Å; E447-V482 PolarHBondContact O-N 2.91Å; V482-T503 HydrophobicContact CG1-CG2 4.24Å; V482-I507 HydrophobicContact CB-CD1 4.05Å; V482-I507 HydrophobicContact CB-CG1 4.02Å; V482-I507 HydrophobicContact CG2-CD1 3.88Å; V482-I507 HydrophobicContact CG2-CG1 3.55Å; V482-V519 HydrophobicContact CG2-CG1 4.15Å; V482-R521 PolarHBondContact O-NH1 2.91Å; V482-Q527 PolarHBondContact O-NE2 3.39Å; V482-Q527 PolarHBondContact O-OE1 2.94Å
483	D	86.9	Confident	70	Confident	70 Å²	70	74 Å²	74	37%	0.374	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-10.2	177	-67.5	-47.2	0	0	0	113.2	H481 T503 R521	H481-D483 IonicContact CE1-OD2 2.7Å; H481-D483 PolarHBondContact CE1-OD2 2.86Å; H481-D483 PolarHBondContact ND1-N 2.85Å; H481-D483 IonicContact ND1-OD2 3.66Å; H481-D483 PolarHBondContact O-N 3.41Å; H481-D483 VanDerWaalsContact O-N 3.15Å; D483-T503 WeakPolarHBondContact OD2-CB 3.41Å; D483-T503 PolarHBondContact OD2-OG1 2.81Å; D483-R521 IonicContact OD1-CZ 3.8Å; D483-R521 VanDerWaalsContact OD1-CZ 3.26Å; D483-R521 IonicContact OD1-NH1 3.26Å; D483-R521 PolarHBondContact OD1-NH1 2.87Å; D483-R521 IonicContact OD1-NH2 3.55Å; D483-R521 PolarHBondContact OD1-NH2 2.79Å
484	D	85.1	Confident	71	Confident	71 Å²	71	68.2 Å²	68.2	38%	0.38	39%	0.387	S	S	.	.			trans	-73.6	153.4	177.4	-68.1	-22.2	0	0	0	111.7	H481 P486	H481-D484 WeakPolarHBondContact CB-OD2 2.87Å; H481-D484 WeakPolarHBondContact O-CB 3.43Å; H481-D484 PolarHBondContact O-N 2.59Å; D484-P486 VanDerWaalsContact C-CD 3.44Å; D484-P486 WeakPolarHBondContact O-CD 3.36Å
485	T	81.4	Confident	72.2	Confident	99 Å²	99	63.2 Å²	63.2	61%	0.607	37%	0.366	S	S	*	.			trans	-116.6	76	178.1	43.5	0	0	0	0	109.7	S487 L536	T485-S487 PolarHBondContact O-N 3.11Å; T485-L536 HydrophobicContact CG2-CD2 3.88Å
486	P	80.5	Confident	73.1	Confident	16 Å²	16	64 Å²	64	10%	0.104	36%	0.361	C	S	.	.			trans	-65	130.3	-175.3	26.2	-34.6	0	0	0	111.2	Y480 D484 G488 Y529 V534 G535 L536	Y480-P486 HydrophobicContact CD1-CB 3.78Å; Y480-P486 HydrophobicContact CD1-CG 4.06Å; Y480-P486 HydrophobicContact CE1-CB 3.51Å; Y480-P486 HydrophobicContact CE1-CG 4.21Å; Y480-P486 HydrophobicContact CG-CG 4.49Å; D484-P486 VanDerWaalsContact C-CD 3.44Å; D484-P486 WeakPolarHBondContact O-CD 3.36Å; P486-G488 PolarHBondContact O-N 3.22Å; P486-Y529 HydrophobicContact CG-CD1 4.06Å; P486-Y529 HydrophobicContact CG-CE1 3.67Å; P486-V534 WeakPolarHBondContact CB-O 3.48Å; P486-V534 WeakPolarHBondContact CG-O 3.5Å; P486-G535 WeakPolarHBondContact O-CA 3.3Å; P486-L536 PolarHBondContact O-N 2.87Å
487	S	73.6	Confident	73	Confident	86 Å²	86	62.1 Å²	62.1	60%	0.601	37%	0.368	S	S	*	.			trans	-80.1	-4.7	174.6	58.7	0	0	0	0	113.3	T485 S489	T485-S487 PolarHBondContact O-N 3.11Å; S487-S489 PolarHBondContact O-N 3.29Å; S487-S489 PolarHBondContact O-OG 3.41Å; S487-S489 PolarHBondContact OG-OG 3.21Å
488	G	65.1	Low	72.5	Confident	15 Å²	15	66 Å²	66	16%	0.155	39%	0.385	C	S	.	.	S	Bend	trans	71.2	6.5	-177.1	0	0	0	0	0	115.5	P486 N533	P486-G488 PolarHBondContact O-N 3.22Å; G488-N533 WeakPolarHBondContact CA-O 3.31Å
489	S	56.7	Low	71.8	Confident	97 Å²	97	65 Å²	65	68%	0.678	38%	0.381	S	S	*	.			trans	-107.1	-11.2	-172.4	-14.1	0	0	0	0	115.2	S487	S487-S489 PolarHBondContact O-N 3.29Å; S487-S489 PolarHBondContact O-OG 3.41Å; S487-S489 PolarHBondContact OG-OG 3.21Å
490	M	54.1	Low	71.2	Confident	152 Å²	152	69 Å²	69	75%	0.749	40%	0.402	S	S	*	.			trans	-102.9	113	-178.8	-60.4	-159.8	91.9	0	0	111.2	G492	M490-G492 VanDerWaalsContact C-N 3.3Å; M490-G492 PolarHBondContact O-N 3.46Å
491	D	50.4	Low	70.9	Confident	112 Å²	112	73.8 Å²	73.8	60%	0.599	43%	0.425	S	S	*	.			trans	-81	82.8	159.3	-84.7	-16.7	0	0	0	106.9	R478	R478-D491 IonicContact CZ-OD1 3.5Å; R478-D491 IonicContact NE-OD1 2.68Å; R478-D491 IonicContact NH2-OD1 3.95Å; R478-D491 PolarHBondContact NH2-OD1 3.33Å
492	G	50.8	Low	70.5	Confident	58 Å²	58	76.5 Å²	76.5	60%	0.598	46%	0.456	S	S	*	.			trans	-86.7	153	175.4	0	0	0	0	0	112	M490	M490-G492 VanDerWaalsContact C-N 3.3Å; M490-G492 PolarHBondContact O-N 3.46Å
493	V	56.3	Low	70.5	Confident	140 Å²	140	77.9 Å²	77.9	85%	0.848	47%	0.465	S	S	*	.			trans	-53.7	143.7	167.3	177.7	0	0	0	0	109.7	D495	V493-D495 PolarHBondContact O-N 3.01Å
494	L	63.8	Low	70.5	Confident	61 Å²	61	86.7 Å²	86.7	32%	0.319	49%	0.493	S	S	.	.			trans	-59.9	103	174.2	-69.3	167.6	0	0	0	109.5	Y450 E477 I479 Y496	Y450-L494 HydrophobicContact CE2-CD2 4.38Å; E477-L494 HydrophobicContact CB-CD2 4.28Å; I479-L494 HydrophobicContact CB-CD2 4.37Å; I479-L494 HydrophobicContact CG2-CD2 4.01Å; L494-Y496 HydrophobicContact CB-CD2 4.29Å; L494-Y496 HydrophobicContact CB-CE2 3.86Å; L494-Y496 HydrophobicContact CD1-CE2 4.33Å
495	D	66.6	Low	70.7	Confident	65 Å²	65	84.3 Å²	84.3	35%	0.348	48%	0.48	S	S	.	.			trans	-102.6	85.8	179.1	-172.5	2	0	0	0	110.1	V493 S497 K498	V493-D495 PolarHBondContact O-N 3.01Å; D495-S497 PolarHBondContact O-N 3.49Å; D495-S497 WeakPolarHBondContact OD1-CB 3.23Å; D495-S497 PolarHBondContact OD1-N 3.06Å; D495-S497 PolarHBondContact OD1-OG 2.95Å; D495-K498 WeakPolarHBondContact OD2-CE 3.3Å; D495-K498 IonicContact OD2-NZ 3.96Å
496	Y	72.7	Confident	71.2	Confident	42 Å²	42	80.6 Å²	80.6	17%	0.165	46%	0.458	C	S	.	.	H	α-helix	trans	-66.6	-21	177.5	-72.6	-85.6	0	0	0	112.8	D428 I429 I479 L494 K498 A499 I500	D428-Y496 HydrophobicContact CB-CD1 3.79Å; D428-Y496 HydrophobicContact CB-CE1 3.89Å; D428-Y496 HydrophobicContact CB-CG 4.39Å; I429-Y496 HydrophobicContact CG2-CD1 4.34Å; I429-Y496 HydrophobicContact CG2-CE1 4.41Å; I479-Y496 HydrophobicContact CD1-CD1 3.65Å; I479-Y496 HydrophobicContact CD1-CE1 3.67Å; I479-Y496 HydrophobicContact CD1-CG 4.48Å; L494-Y496 HydrophobicContact CB-CD2 4.29Å; L494-Y496 HydrophobicContact CB-CE2 3.86Å; L494-Y496 HydrophobicContact CD1-CE2 4.33Å; Y496-K498 VanDerWaalsContact C-N 3.29Å; Y496-K498 PolarHBondContact O-N 3.15Å; Y496-A499 PolarHBondContact O-N 2.85Å; Y496-A499 VanDerWaalsContact O-N 3.15Å; Y496-I500 WeakPolarHBondContact O-CG1 3.43Å; Y496-I500 PolarHBondContact O-N 3.44Å
497	S	70.1	Confident	71.8	Confident	91 Å²	91	79.9 Å²	79.9	64%	0.636	45%	0.453	S	S	*	.	H	α-helix	trans	-64	-34.4	-177.3	75.9	0	0	0	0	112.6	D495	D495-S497 PolarHBondContact O-N 3.49Å; D495-S497 WeakPolarHBondContact OD1-CB 3.23Å; D495-S497 PolarHBondContact OD1-N 3.06Å; D495-S497 PolarHBondContact OD1-OG 2.95Å
498	K	71.4	Confident	72.7	Confident	121 Å²	121	76.3 Å²	76.3	53%	0.526	43%	0.428	S	S	.	.	H	α-helix	trans	-80.4	-29.7	174.9	-69.7	-178.9	-177	171.9	0	113.2	H481 D495 Y496 I500 Q501	H481-K498 PolarHBondContact CD2-O 3.43Å; H481-K498 VanDerWaalsContact CD2-O 3.24Å; D495-K498 WeakPolarHBondContact OD2-CE 3.3Å; D495-K498 IonicContact OD2-NZ 3.96Å; Y496-K498 VanDerWaalsContact C-N 3.29Å; Y496-K498 PolarHBondContact O-N 3.15Å; K498-I500 PolarHBondContact O-N 3.33Å; K498-Q501 WeakPolarHBondContact O-CB 3.4Å; K498-Q501 PolarHBondContact O-N 3.13Å
499	A	70.4	Confident	74	Confident	3 Å²	3	75.8 Å²	75.8	3%	0.025	42%	0.422	C	S	.	.	H	α-helix	trans	-69.1	-20	-176.6	0	0	0	0	0	113.6	A448 I479 Y496	A448-A499 HydrophobicContact CB-CB 3.77Å; A448-A499 WeakPolarHBondContact CB-O 3.39Å; I479-A499 HydrophobicContact CD1-CB 3.43Å; I479-A499 VanDerWaalsContact CD1-CB 3.43Å; I479-A499 HydrophobicContact CG1-CB 3.92Å; Y496-A499 PolarHBondContact O-N 2.85Å; Y496-A499 VanDerWaalsContact O-N 3.15Å
500	I	75.5	Confident	75.8	Confident	106 Å²	106	72.1 Å²	72.1	54%	0.544	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	-2.9	-178	-56.1	164.4	0	0	0	111.5	Y496 K498 G502	Y496-I500 WeakPolarHBondContact O-CG1 3.43Å; Y496-I500 PolarHBondContact O-N 3.44Å; K498-I500 PolarHBondContact O-N 3.33Å; I500-G502 PolarHBondContact O-N 2.9Å
501	Q	81.7	Confident	77.7	Confident	132 Å²	132	65.8 Å²	65.8	62%	0.617	37%	0.365	S	S	*	.	S	Bend	trans	-63.9	132.2	178.9	-166.7	167.4	23.2	0	0	110.6	H481 K498 T503	H481-Q501 PolarHBondContact NE2-O 3.47Å; K498-Q501 WeakPolarHBondContact O-CB 3.4Å; K498-Q501 PolarHBondContact O-N 3.13Å; Q501-T503 PolarHBondContact O-N 2.95Å
502	G	80	Confident	79.8	Confident	69 Å²	69	61.5 Å²	61.5	71%	0.711	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-64.4	130.8	179.9	0	0	0	0	0	112	I500	I500-G502 PolarHBondContact O-N 2.9Å
503	T	87.3	Confident	81.8	Confident	30 Å²	30	59.7 Å²	59.7	18%	0.184	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-100.7	152.6	174.2	-174.5	0	0	0	0	111.8	E447 V482 D483 Q501 D505 P506	E447-T503 HydrophobicContact CG-CG2 4.38Å; V482-T503 HydrophobicContact CG1-CG2 4.24Å; D483-T503 WeakPolarHBondContact OD2-CB 3.41Å; D483-T503 PolarHBondContact OD2-OG1 2.81Å; Q501-T503 PolarHBondContact O-N 2.95Å; T503-D505 VanDerWaalsContact C-N 3.34Å; T503-D505 PolarHBondContact OG1-N 3.37Å; T503-P506 HydrophobicContact CG2-CB 3.98Å
504	R	86.9	Confident	83.2	Confident	254 Å²	254	56.8 Å²	56.8	96%	0.958	30%	0.303	S	S	*	.	S	Bend	trans	-81.5	-17	172.7	-66.3	-175.9	179.9	-177.6	0.2	112.9
505	D	89.2	Confident	84.5	Confident	21 Å²	21	60.7 Å²	60.7	11%	0.112	32%	0.317	C	S	.	.	S	Bend	trans	-138	81.4	-173.6	-177.9	27.3	0	0	0	110	T503 R521 E522 S523	T503-D505 VanDerWaalsContact C-N 3.34Å; T503-D505 PolarHBondContact OG1-N 3.37Å; D505-R521 WeakPolarHBondContact O-CD 3.33Å; D505-R521 PolarHBondContact O-NE 3.25Å; D505-R521 WeakPolarHBondContact OD1-CB 3.48Å; D505-R521 WeakPolarHBondContact OD2-CB 3.49Å; D505-R521 IonicContact OD2-CZ 3.09Å; D505-R521 IonicContact OD2-NE 3.36Å; D505-R521 PolarHBondContact OD2-NE 2.88Å; D505-R521 IonicContact OD2-NH2 3.92Å; D505-R521 PolarHBondContact OD2-NH2 3.24Å; D505-E522 PolarHBondContact OD1-N 3.07Å; D505-S523 WeakPolarHBondContact OD1-CB 3.28Å; D505-S523 PolarHBondContact OD1-N 3.31Å; D505-S523 PolarHBondContact OD1-OG 2.79Å; D505-S523 WeakPolarHBondContact OD2-CB 3.26Å; D505-S523 PolarHBondContact OD2-OG 3.47Å
506	P	91.8	Very high	85.7	Confident	22 Å²	22	58 Å²	58	14%	0.143	30%	0.302	C	S	.	.			trans	-73.2	161.8	-170.9	28.6	-33.9	0	0	0	113.3	K446 T503 R521 E522	K446-P506 HydrophobicContact CB-CB 3.79Å; K446-P506 HydrophobicContact CG-CB 4.33Å; K446-P506 CarbonylContact O-C 3.55Å; K446-P506 WeakPolarHBondContact O-CA 3.34Å; K446-P506 WeakPolarHBondContact O-CB 3.38Å; T503-P506 HydrophobicContact CG2-CB 3.98Å; P506-R521 CarbonylContact O-C 3.46Å; P506-R521 WeakPolarHBondContact O-CA 3.4Å; P506-E522 HydrophobicContact CG-CB 4.36Å; P506-E522 VanDerWaalsContact CG-CD 3.43Å; P506-E522 HydrophobicContact CG-CG 3.82Å; P506-E522 PolarHBondContact O-N 2.9Å
507	I	93.4	Very high	86.8	Confident	1 Å²	1	56 Å²	56	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	134	173.8	-59.1	174.3	0	0	0	109.3	F433 A444 K446 F449 V482 I510 V519	F433-I507 HydrophobicContact CD2-CG2 3.89Å; F433-I507 HydrophobicContact CE2-CB 4.35Å; F433-I507 HydrophobicContact CE2-CG2 3.99Å; F433-I507 VanDerWaalsContact CE2-O 3.29Å; F433-I507 WeakPolarHBondContact CE2-O 3.47Å; A444-I507 HydrophobicContact CB-CD1 4.17Å; K446-I507 PolarHBondContact O-N 2.81Å; F449-I507 HydrophobicContact CB-CD1 4.48Å; V482-I507 HydrophobicContact CB-CD1 4.05Å; V482-I507 HydrophobicContact CB-CG1 4.02Å; V482-I507 HydrophobicContact CG2-CD1 3.88Å; V482-I507 HydrophobicContact CG2-CG1 3.55Å; I507-I510 HydrophobicContact CG2-CG2 3.87Å; I507-V519 HydrophobicContact CB-CG1 4.43Å; I507-V519 HydrophobicContact CD1-CG1 3.96Å; I507-V519 HydrophobicContact CG1-CG1 3.78Å; I507-V519 HydrophobicContact CG2-CG1 3.94Å
508	C	91.8	Very high	87.9	Confident	11 Å²	11	51.6 Å²	51.6	7%	0.074	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-23.4	177.2	67.1	0	0	0	0	114.1	F433 G520 R521 E522 G546	F433-C508 WeakPolarHBondContact CE1-O 3.3Å; F433-C508 WeakPolarHBondContact CZ-O 3.2Å; C508-G520 PolarHBondContact N-O 2.96Å; C508-G520 VanDerWaalsContact SG-C 3.54Å; C508-G520 PolarHBondContact SG-O 3.45Å; C508-G520 VanDerWaalsContact SG-O 3.38Å; C508-R521 VanDerWaalsContact SG-C 3.54Å; C508-E522 HydrophobicContact CB-CG 3.92Å; C508-G546 PolarHBondContact SG-O 2.95Å
509	A	92.5	Very high	89	Confident	3 Å²	3	45.9 Å²	45.9	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	150.4	177.4	0	0	0	0	0	111.1	G520 L549	A509-G520 PolarHBondContact O-N 3.1Å; A509-L549 HydrophobicContact CB-CD1 3.79Å; A509-L549 HydrophobicContact CB-CG 3.8Å
510	I	95.4	Very high	90.2	Very high	20 Å²	20	45.9 Å²	45.9	10%	0.103	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.1	172.6	66.9	174.9	0	0	0	110.7	F433 A435 I442 A444 I507 I518 V519	F433-I510 HydrophobicContact CB-CD1 3.99Å; F433-I510 HydrophobicContact CB-CG1 3.78Å; F433-I510 WeakPolarHBondContact O-CD1 3.46Å; A435-I510 HydrophobicContact CB-CD1 3.98Å; A435-I510 HydrophobicContact CB-CG1 4.07Å; I442-I510 HydrophobicContact CB-CD1 4.45Å; I442-I510 HydrophobicContact CG2-CD1 3.94Å; A444-I510 HydrophobicContact CB-CD1 4.02Å; A444-I510 HydrophobicContact CB-CG2 4.01Å; I507-I510 HydrophobicContact CG2-CG2 3.87Å; I510-I518 WeakPolarHBondContact CA-O 3.49Å; I510-V519 HydrophobicContact CG2-CG1 4.3Å; I510-V519 HydrophobicContact CG2-CG2 4.23Å
511	T	94.7	Very high	91	Very high	20 Å²	20	42 Å²	42	12%	0.123	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	150	169.8	-166.9	0	0	0	0	109.9	I518 L549 L551 L558	T511-I518 HydrophobicContact CG2-CB 3.86Å; T511-I518 HydrophobicContact CG2-CG2 4.36Å; T511-I518 PolarHBondContact N-O 3.27Å; T511-I518 PolarHBondContact O-N 3.15Å; T511-L549 VanDerWaalsContact CB-O 3.32Å; T511-L549 WeakPolarHBondContact CB-O 3.43Å; T511-L549 HydrophobicContact CG2-CB 3.67Å; T511-L549 PolarHBondContact OG1-O 2.84Å; T511-L551 HydrophobicContact CG2-CD1 4.06Å; T511-L551 HydrophobicContact CG2-CG 3.93Å; T511-L558 HydrophobicContact CG2-CD1 3.99Å
512	A	94	Very high	91.4	Very high	21 Å²	21	38.8 Å²	38.8	17%	0.174	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	146.4	-175.1	0	0	0	0	0	112.1	A435 T437 I442 I516 L517 L531	A435-A512 HydrophobicContact CB-CB 4.32Å; T437-A512 HydrophobicContact CG2-CB 3.74Å; I442-A512 HydrophobicContact CD1-CB 3.75Å; A512-I516 WeakPolarHBondContact CA-O 3.25Å; A512-L517 HydrophobicContact CB-CD1 4.03Å; A512-L531 HydrophobicContact CB-CD1 4.31Å
513	S	91.9	Very high	91.8	Very high	20 Å²	20	38.8 Å²	38.8	14%	0.14	19%	0.192	C	C	.	.			trans	-116.2	175.5	164.4	79.2	0	0	0	0	109.7	T437 K515 I516 L531 S555	T437-S513 WeakPolarHBondContact CG2-O 3.28Å; S513-K515 PolarHBondContact O-N 3.22Å; S513-K515 PolarHBondContact OG-N 3.09Å; S513-I516 PolarHBondContact N-O 3.48Å; S513-I516 WeakPolarHBondContact OG-CG1 3.49Å; S513-I516 PolarHBondContact OG-N 3.01Å; S513-L531 WeakPolarHBondContact O-CD1 3.45Å; S513-S555 WeakPolarHBondContact CB-OG 3.34Å; S513-S555 PolarHBondContact OG-OG 3.1Å
514	D	87.1	Confident	91.8	Very high	80 Å²	80	37.5 Å²	37.5	43%	0.428	19%	0.186	S	C	.	.	S	Bend	trans	-61	-12.2	175.7	-64.2	-29.7	0	0	0	112.8	K438	K438-D514 PolarHBondContact N-OD1 3.47Å; K438-D514 IonicContact NZ-OD2 2.79Å
515	K	89.6	Confident	92	Very high	142 Å²	142	26.9 Å²	26.9	62%	0.617	15%	0.149	S	C	*	.	S	Bend	trans	-115.5	-32.4	-176.3	-62.2	179.9	-176.5	174.5	0	114.8	S513 L531	S513-K515 PolarHBondContact O-N 3.22Å; S513-K515 PolarHBondContact OG-N 3.09Å; K515-L531 PolarHBondContact O-N 2.85Å
516	I	93.1	Very high	92.2	Very high	8 Å²	8	26.2 Å²	26.2	4%	0.041	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147	-173.2	62.5	168.3	0	0	0	111.5	A512 S513 I518 Y529 I537 L551 L572	A512-I516 WeakPolarHBondContact CA-O 3.25Å; S513-I516 PolarHBondContact N-O 3.48Å; S513-I516 WeakPolarHBondContact OG-CG1 3.49Å; S513-I516 PolarHBondContact OG-N 3.01Å; I516-I518 HydrophobicContact CD1-CD1 4.15Å; I516-I518 HydrophobicContact CD1-CG1 4.27Å; I516-Y529 CarbonylContact C-O 3.56Å; I516-Y529 VanDerWaalsContact CA-O 3.25Å; I516-Y529 WeakPolarHBondContact CA-O 3.22Å; I516-I537 HydrophobicContact CG2-CD1 4.43Å; I516-L551 HydrophobicContact CD1-CD1 3.75Å; I516-L551 HydrophobicContact CD1-CD2 3.93Å; I516-L551 HydrophobicContact CG1-CD1 3.74Å; I516-L572 HydrophobicContact CD1-CD1 4.09Å
517	L	94.3	Very high	92.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.4	167.2	166.7	68.7	0	0	0	107.9	I442 F449 A512 V519 Y529 L531	I442-L517 HydrophobicContact CD1-CD1 4.46Å; I442-L517 HydrophobicContact CG1-CD1 4.3Å; I442-L517 HydrophobicContact CG2-CD1 4.09Å; I442-L517 HydrophobicContact CG2-CD2 4.27Å; F449-L517 HydrophobicContact CD2-CD2 3.88Å; F449-L517 HydrophobicContact CE2-CD2 3.62Å; F449-L517 HydrophobicContact CZ-CD2 4.3Å; A512-L517 HydrophobicContact CB-CD1 4.03Å; L517-V519 HydrophobicContact CD2-CG2 4.34Å; L517-V519 HydrophobicContact CG-CG2 4.17Å; L517-Y529 PolarHBondContact N-O 3.19Å; L517-Y529 PolarHBondContact O-N 3.41Å; L517-L531 HydrophobicContact CB-CD1 3.94Å; L517-L531 HydrophobicContact CB-CD2 4.41Å; L517-L531 HydrophobicContact CB-CG 4.02Å
518	I	94.8	Very high	92.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	128.8	175	-66	-166.7	0	0	0	109.1	I510 T511 I516 I526 Q527 L549 L551 L558 L572	I510-I518 WeakPolarHBondContact CA-O 3.49Å; T511-I518 HydrophobicContact CG2-CB 3.86Å; T511-I518 HydrophobicContact CG2-CG2 4.36Å; T511-I518 PolarHBondContact N-O 3.27Å; T511-I518 PolarHBondContact O-N 3.15Å; I516-I518 HydrophobicContact CD1-CD1 4.15Å; I516-I518 HydrophobicContact CD1-CG1 4.27Å; I518-I526 HydrophobicContact CG2-CG2 3.39Å; I518-Q527 WeakPolarHBondContact CA-O 3.45Å; I518-L549 HydrophobicContact CG2-CD1 4.16Å; I518-L551 HydrophobicContact CD1-CD1 4.18Å; I518-L551 HydrophobicContact CD1-CD2 3.69Å; I518-L551 HydrophobicContact CD1-CG 4.2Å; I518-L551 HydrophobicContact CG1-CD1 4.26Å; I518-L558 HydrophobicContact CD1-CD1 4.1Å; I518-L558 HydrophobicContact CD1-CD2 3.98Å; I518-L558 HydrophobicContact CD1-CG 4.48Å; I518-L558 HydrophobicContact CG2-CD2 4.19Å; I518-L572 HydrophobicContact CD1-CD1 3.81Å; I518-L572 HydrophobicContact CD1-CD2 4.18Å
519	V	94.5	Very high	92.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	117.9	175.9	-178.1	0	0	0	0	108.4	F449 V482 I507 I510 L517 Q527 Y529	F449-V519 HydrophobicContact CD1-CG2 4.39Å; V482-V519 HydrophobicContact CG2-CG1 4.15Å; I507-V519 HydrophobicContact CB-CG1 4.43Å; I507-V519 HydrophobicContact CD1-CG1 3.96Å; I507-V519 HydrophobicContact CG1-CG1 3.78Å; I507-V519 HydrophobicContact CG2-CG1 3.94Å; I510-V519 HydrophobicContact CG2-CG1 4.3Å; I510-V519 HydrophobicContact CG2-CG2 4.23Å; L517-V519 HydrophobicContact CD2-CG2 4.34Å; L517-V519 HydrophobicContact CG-CG2 4.17Å; V519-Q527 HydrophobicContact CB-CB 4.47Å; V519-Q527 PolarHBondContact N-O 3.45Å; V519-Q527 PolarHBondContact O-N 3.35Å; V519-Y529 HydrophobicContact CB-CE2 4.18Å; V519-Y529 HydrophobicContact CG2-CD2 4.07Å; V519-Y529 HydrophobicContact CG2-CE2 3.83Å
520	G	94.1	Very high	92.1	Very high	4 Å²	4	27.5 Å²	27.5	4%	0.041	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	138	174.2	0	0	0	0	0	111.3	C508 A509	C508-G520 PolarHBondContact N-O 2.96Å; C508-G520 VanDerWaalsContact SG-C 3.54Å; C508-G520 PolarHBondContact SG-O 3.45Å; C508-G520 VanDerWaalsContact SG-O 3.38Å; A509-G520 PolarHBondContact O-N 3.1Å
521	R	92.5	Very high	91.6	Very high	25 Å²	25	27.4 Å²	27.4	9%	0.094	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	155.6	-179.8	-47.7	-127.4	-65.5	-160.8	12	111.2	V482 D483 D505 P506 C508 S523 G524 T525	V482-R521 PolarHBondContact O-NH1 2.91Å; D483-R521 IonicContact OD1-CZ 3.8Å; D483-R521 VanDerWaalsContact OD1-CZ 3.26Å; D483-R521 IonicContact OD1-NH1 3.26Å; D483-R521 PolarHBondContact OD1-NH1 2.87Å; D483-R521 IonicContact OD1-NH2 3.55Å; D483-R521 PolarHBondContact OD1-NH2 2.79Å; D505-R521 WeakPolarHBondContact O-CD 3.33Å; D505-R521 PolarHBondContact O-NE 3.25Å; D505-R521 WeakPolarHBondContact OD1-CB 3.48Å; D505-R521 WeakPolarHBondContact OD2-CB 3.49Å; D505-R521 IonicContact OD2-CZ 3.09Å; D505-R521 IonicContact OD2-NE 3.36Å; D505-R521 PolarHBondContact OD2-NE 2.88Å; D505-R521 IonicContact OD2-NH2 3.92Å; D505-R521 PolarHBondContact OD2-NH2 3.24Å; P506-R521 CarbonylContact O-C 3.46Å; P506-R521 WeakPolarHBondContact O-CA 3.4Å; C508-R521 VanDerWaalsContact SG-C 3.54Å; R521-S523 PolarHBondContact O-N 2.79Å; R521-G524 PolarHBondContact O-N 3.18Å; R521-T525 WeakPolarHBondContact CB-O 3.42Å; R521-T525 WeakPolarHBondContact CG-O 3.37Å; R521-T525 PolarHBondContact N-O 3.45Å
522	E	89.8	Confident	90.9	Very high	63 Å²	63	29.4 Å²	29.4	29%	0.294	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.6	-178.1	-73.2	-164.8	-178.3	0	0	113.9	D505 P506 C508 G524 R545	D505-E522 PolarHBondContact OD1-N 3.07Å; P506-E522 HydrophobicContact CG-CB 4.36Å; P506-E522 VanDerWaalsContact CG-CD 3.43Å; P506-E522 HydrophobicContact CG-CG 3.82Å; P506-E522 PolarHBondContact O-N 2.9Å; C508-E522 HydrophobicContact CB-CG 3.92Å; E522-G524 PolarHBondContact O-N 2.87Å; E522-R545 VanDerWaalsContact CG-CZ 3.5Å; E522-R545 IonicContact OE1-CZ 2.99Å; E522-R545 IonicContact OE1-NH1 3.79Å; E522-R545 IonicContact OE1-NH2 3.88Å; E522-R545 PolarHBondContact OE1-NH2 2.72Å; E522-R545 IonicContact OE2-CZ 3.26Å; E522-R545 IonicContact OE2-NH1 3.9Å; E522-R545 PolarHBondContact OE2-NH1 2.84Å; E522-R545 IonicContact OE2-NH2 2.69Å
523	S	89.2	Confident	90.3	Very high	69 Å²	69	32.3 Å²	32.3	48%	0.483	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-11.9	173.4	65.2	0	0	0	0	114.5	D505 R521 T525	D505-S523 WeakPolarHBondContact OD1-CB 3.28Å; D505-S523 PolarHBondContact OD1-N 3.31Å; D505-S523 PolarHBondContact OD1-OG 2.79Å; D505-S523 WeakPolarHBondContact OD2-CB 3.26Å; D505-S523 PolarHBondContact OD2-OG 3.47Å; R521-S523 PolarHBondContact O-N 2.79Å; S523-T525 WeakPolarHBondContact OG-CB 3.5Å; S523-T525 PolarHBondContact OG-N 3.45Å; S523-T525 PolarHBondContact OG-OG1 3.47Å
524	G	86.9	Confident	90	Very high	4 Å²	4	31.4 Å²	31.4	4%	0.041	17%	0.169	C	C	.	.	S	Bend	trans	89	5.5	-169.3	0	0	0	0	0	113.7	R521 E522 L542 C544	R521-G524 PolarHBondContact O-N 3.18Å; E522-G524 PolarHBondContact O-N 2.87Å; G524-L542 WeakPolarHBondContact CA-O 3.32Å; G524-L542 WeakPolarHBondContact O-CB 3.4Å; G524-L542 PolarHBondContact O-N 2.85Å; G524-C544 WeakPolarHBondContact CA-O 3.36Å
525	T	91.8	Very high	89.9	Confident	30 Å²	30	28 Å²	28	18%	0.184	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	131.4	173.3	-56.7	0	0	0	0	110.9	R521 S523 Q527 Y540	R521-T525 WeakPolarHBondContact CB-O 3.42Å; R521-T525 WeakPolarHBondContact CG-O 3.37Å; R521-T525 PolarHBondContact N-O 3.45Å; S523-T525 WeakPolarHBondContact OG-CB 3.5Å; S523-T525 PolarHBondContact OG-N 3.45Å; S523-T525 PolarHBondContact OG-OG1 3.47Å; T525-Q527 HydrophobicContact CG2-CG 4.48Å; T525-Y540 CarbonylContact C-O 3.57Å; T525-Y540 WeakPolarHBondContact CA-O 3.44Å
526	I	92.8	Very high	89.9	Confident	7 Å²	7	23.4 Å²	23.4	4%	0.036	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	127.1	173.8	-61	-166.3	0	0	0	109.7	I518 K539 Y540 L542 L558 I560	I518-I526 HydrophobicContact CG2-CG2 3.39Å; I526-K539 CarbonylContact O-C 3.57Å; I526-K539 WeakPolarHBondContact O-CA 2.79Å; I526-Y540 HydrophobicContact CB-CD2 4.49Å; I526-Y540 HydrophobicContact CG2-CD2 4.36Å; I526-Y540 PolarHBondContact N-O 3.44Å; I526-Y540 PolarHBondContact O-N 3.47Å; I526-L542 HydrophobicContact CD1-CD1 3.32Å; I526-L542 HydrophobicContact CD1-CG 4.35Å; I526-L542 HydrophobicContact CG1-CD1 3.93Å; I526-L558 HydrophobicContact CD1-CD2 3.67Å; I526-L558 HydrophobicContact CG2-CD2 4.31Å; I526-I560 HydrophobicContact CD1-CD1 3.67Å
527	Q	92.6	Very high	89.7	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	126.2	178.4	-58.3	179.5	-15.5	0	0	110.2	V482 I518 V519 T525 Y529 L536 K539	V482-Q527 PolarHBondContact O-NE2 3.39Å; V482-Q527 PolarHBondContact O-OE1 2.94Å; I518-Q527 WeakPolarHBondContact CA-O 3.45Å; V519-Q527 HydrophobicContact CB-CB 4.47Å; V519-Q527 PolarHBondContact N-O 3.45Å; V519-Q527 PolarHBondContact O-N 3.35Å; T525-Q527 HydrophobicContact CG2-CG 4.48Å; Q527-Y529 HydrophobicContact CB-CD2 4.35Å; Q527-Y529 HydrophobicContact CB-CE2 3.6Å; Q527-Y529 PolarHBondContact OE1-OH 3.32Å; Q527-L536 HydrophobicContact CB-CD1 4.03Å; Q527-K539 HydrophobicContact CG-CG 4.34Å
528	R	93	Very high	89.4	Confident	31 Å²	31	30.5 Å²	30.5	12%	0.117	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.1	178	-178.9	-174.9	-179.3	173.9	3.5	109.8	I537 Q538 Y540 D573	R528-I537 HydrophobicContact CG-CB 4.32Å; R528-I537 HydrophobicContact CG-CD1 4.27Å; R528-I537 WeakPolarHBondContact O-CB 3.41Å; R528-I537 PolarHBondContact O-N 2.99Å; R528-Q538 PolarHBondContact N-O 3.19Å; R528-Q538 PolarHBondContact O-N 3.49Å; R528-Y540 HydrophobicContact CB-CE2 4.03Å; R528-Y540 PolarHBondContact NH1-OH 3.09Å; R528-D573 IonicContact CZ-OD1 3.6Å; R528-D573 IonicContact NH1-OD1 3.63Å; R528-D573 PolarHBondContact NH1-OD1 3.47Å; R528-D573 IonicContact NH2-OD1 2.8Å; R528-D573 PolarHBondContact NH2-OD1 2.82Å
529	Y	92	Very high	89.2	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.1	176.6	-63.9	-92.2	0	0	0	110.9	F449 P486 I516 L517 V519 Q527 V534 G535 L536	F449-Y529 HydrophobicContact CE1-CE1 4.41Å; F449-Y529 HydrophobicContact CE1-CE2 4.21Å; F449-Y529 AromaticContact CE1-CZ 3.96Å; F449-Y529 HydrophobicContact CZ-CD1 4.34Å; F449-Y529 HydrophobicContact CZ-CE1 4.05Å; F449-Y529 HydrophobicContact CZ-CE2 4.24Å; P486-Y529 HydrophobicContact CG-CD1 4.06Å; P486-Y529 HydrophobicContact CG-CE1 3.67Å; I516-Y529 CarbonylContact C-O 3.56Å; I516-Y529 VanDerWaalsContact CA-O 3.25Å; I516-Y529 WeakPolarHBondContact CA-O 3.22Å; L517-Y529 PolarHBondContact N-O 3.19Å; L517-Y529 PolarHBondContact O-N 3.41Å; V519-Y529 HydrophobicContact CB-CE2 4.18Å; V519-Y529 HydrophobicContact CG2-CD2 4.07Å; V519-Y529 HydrophobicContact CG2-CE2 3.83Å; Q527-Y529 HydrophobicContact CB-CD2 4.35Å; Q527-Y529 HydrophobicContact CB-CE2 3.6Å; Q527-Y529 PolarHBondContact OE1-OH 3.32Å; Y529-V534 HydrophobicContact CD1-CG1 4.1Å; Y529-G535 CarbonylContact C-O 3.59Å; Y529-G535 WeakPolarHBondContact CA-O 3.34Å; Y529-L536 HydrophobicContact CD1-CB 4.14Å; Y529-L536 HydrophobicContact CD1-CD1 4.19Å; Y529-L536 HydrophobicContact CE1-CB 4Å; Y529-L536 HydrophobicContact CE1-CD1 3.85Å; Y529-L536 HydrophobicContact CE2-CD1 4.2Å; Y529-L536 HydrophobicContact CG-CD1 4.5Å
530	S	90.9	Very high	88.9	Confident	33 Å²	33	35.5 Å²	35.5	23%	0.231	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	139.6	170.3	54.8	0	0	0	0	110.9	V534 G535	S530-V534 WeakPolarHBondContact O-CA 3.2Å; S530-V534 PolarHBondContact O-N 2.92Å; S530-G535 PolarHBondContact N-O 3.45Å; S530-G535 WeakPolarHBondContact OG-CA 3.16Å; S530-G535 PolarHBondContact OG-N 2.9Å; S530-G535 PolarHBondContact OG-O 3.14Å
531	L	85.1	Confident	88.6	Confident	18 Å²	18	40.1 Å²	40.1	9%	0.094	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	141	167.6	-74.7	174.8	0	0	0	109.7	T437 I442 A512 S513 K515 L517 V534	T437-L531 HydrophobicContact CG2-CD1 4.45Å; I442-L531 HydrophobicContact CD1-CD1 4.49Å; A512-L531 HydrophobicContact CB-CD1 4.31Å; S513-L531 WeakPolarHBondContact O-CD1 3.45Å; K515-L531 PolarHBondContact O-N 2.85Å; L517-L531 HydrophobicContact CB-CD1 3.94Å; L517-L531 HydrophobicContact CB-CD2 4.41Å; L517-L531 HydrophobicContact CB-CG 4.02Å; L531-V534 HydrophobicContact CD2-CG2 4.14Å
532	P	79.2	Confident	88.2	Confident	63 Å²	63	39.7 Å²	39.7	41%	0.409	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	cis	-88.2	-4.6	7.1	35.6	-36.6	0	0	0	114.9	R478 V534	R478-P532 PolarHBondContact NH1-O 2.87Å; P532-V534 VanDerWaalsContact C-N 3.3Å; P532-V534 PolarHBondContact O-N 3.29Å
533	N	80.9	Confident	87.9	Confident	81 Å²	81	45.3 Å²	45.3	43%	0.433	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-13.1	-168.7	-68.1	-19.2	0	0	0	114.6	R478 G488 G535	R478-N533 VanDerWaalsContact NH1-C 3.27Å; R478-N533 PolarHBondContact NH1-O 3.4Å; G488-N533 WeakPolarHBondContact CA-O 3.31Å; N533-G535 PolarHBondContact O-N 3.39Å
534	V	84.9	Confident	87.5	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	24%	0.24	C	C	.	.			trans	54.2	37.7	-178	-157.7	0	0	0	0	112.6	F449 T451 Y480 P486 Y529 S530 L531 P532	F449-V534 HydrophobicContact CE2-CG1 3.69Å; F449-V534 HydrophobicContact CZ-CG1 3.87Å; T451-V534 HydrophobicContact CG2-CG2 4.3Å; Y480-V534 HydrophobicContact CD2-CB 4.33Å; Y480-V534 HydrophobicContact CD2-CG1 3.67Å; Y480-V534 HydrophobicContact CE2-CB 3.6Å; Y480-V534 HydrophobicContact CE2-CG1 3.46Å; Y480-V534 VanDerWaalsContact CE2-CG1 3.46Å; Y480-V534 HydrophobicContact CE2-CG2 4.04Å; P486-V534 WeakPolarHBondContact CB-O 3.48Å; P486-V534 WeakPolarHBondContact CG-O 3.5Å; Y529-V534 HydrophobicContact CD1-CG1 4.1Å; S530-V534 WeakPolarHBondContact O-CA 3.2Å; S530-V534 PolarHBondContact O-N 2.92Å; L531-V534 HydrophobicContact CD2-CG2 4.14Å; P532-V534 VanDerWaalsContact C-N 3.3Å; P532-V534 PolarHBondContact O-N 3.29Å
535	G	86.8	Confident	87.5	Confident	9 Å²	9	47.7 Å²	47.7	9%	0.093	26%	0.256	C	S	.	.			trans	-85	131	171.3	0	0	0	0	0	110.9	P486 Y529 S530 N533 I537	P486-G535 WeakPolarHBondContact O-CA 3.3Å; Y529-G535 CarbonylContact C-O 3.59Å; Y529-G535 WeakPolarHBondContact CA-O 3.34Å; S530-G535 PolarHBondContact N-O 3.45Å; S530-G535 WeakPolarHBondContact OG-CA 3.16Å; S530-G535 PolarHBondContact OG-N 2.9Å; S530-G535 PolarHBondContact OG-O 3.14Å; N533-G535 PolarHBondContact O-N 3.39Å; G535-I537 PolarHBondContact O-N 3.34Å
536	L	89	Confident	87.2	Confident	45 Å²	45	46.7 Å²	46.7	24%	0.236	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	122	176.4	-178.7	72.7	0	0	0	110.2	T485 P486 Q527 Y529 K539	T485-L536 HydrophobicContact CG2-CD2 3.88Å; P486-L536 PolarHBondContact O-N 2.87Å; Q527-L536 HydrophobicContact CB-CD1 4.03Å; Y529-L536 HydrophobicContact CD1-CB 4.14Å; Y529-L536 HydrophobicContact CD1-CD1 4.19Å; Y529-L536 HydrophobicContact CE1-CB 4Å; Y529-L536 HydrophobicContact CE1-CD1 3.85Å; Y529-L536 HydrophobicContact CE2-CD1 4.2Å; Y529-L536 HydrophobicContact CG-CD1 4.5Å; L536-K539 HydrophobicContact CD1-CG 4.47Å; L536-K539 HydrophobicContact CD2-CD 4.46Å; L536-K539 VanDerWaalsContact CD2-CE 3.49Å; L536-K539 HydrophobicContact CD2-CG 4.24Å
537	I	88.8	Confident	86.9	Confident	82 Å²	82	50.4 Å²	50.4	42%	0.421	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-54.7	-179.6	-57.2	174.7	0	0	0	110.4	I516 R528 G535	I516-I537 HydrophobicContact CG2-CD1 4.43Å; R528-I537 HydrophobicContact CG-CB 4.32Å; R528-I537 HydrophobicContact CG-CD1 4.27Å; R528-I537 WeakPolarHBondContact O-CB 3.41Å; R528-I537 PolarHBondContact O-N 2.99Å; G535-I537 PolarHBondContact O-N 3.34Å
538	Q	87.3	Confident	86.8	Confident	76 Å²	76	53.2 Å²	53.2	36%	0.355	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	150.7	-170.4	-168.1	65.1	11.7	0	0	111.1	R528 Y540	R528-Q538 PolarHBondContact N-O 3.19Å; R528-Q538 PolarHBondContact O-N 3.49Å; Q538-Y540 HydrophobicContact CB-CE2 4.07Å; Q538-Y540 HydrophobicContact CG-CD1 4.24Å; Q538-Y540 HydrophobicContact CG-CE1 3.74Å; Q538-Y540 HydrophobicContact CG-CE2 4.01Å
539	K	90.1	Very high	86.8	Confident	95 Å²	95	52.4 Å²	52.4	41%	0.413	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.6	167.1	-61.3	-173.3	-179.8	-175.6	0	109.2	I526 Q527 L536	I526-K539 CarbonylContact O-C 3.57Å; I526-K539 WeakPolarHBondContact O-CA 2.79Å; Q527-K539 HydrophobicContact CG-CG 4.34Å; L536-K539 HydrophobicContact CD1-CG 4.47Å; L536-K539 HydrophobicContact CD2-CD 4.46Å; L536-K539 VanDerWaalsContact CD2-CE 3.49Å; L536-K539 HydrophobicContact CD2-CG 4.24Å
540	Y	89.3	Confident	86.9	Confident	9 Å²	9	53.8 Å²	53.8	4%	0.035	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	148.4	174.9	-50.2	-85.8	0	0	0	108.9	T525 I526 R528 Q538 F570 L572 V585	T525-Y540 CarbonylContact C-O 3.57Å; T525-Y540 WeakPolarHBondContact CA-O 3.44Å; I526-Y540 HydrophobicContact CB-CD2 4.49Å; I526-Y540 HydrophobicContact CG2-CD2 4.36Å; I526-Y540 PolarHBondContact N-O 3.44Å; I526-Y540 PolarHBondContact O-N 3.47Å; R528-Y540 HydrophobicContact CB-CE2 4.03Å; R528-Y540 PolarHBondContact NH1-OH 3.09Å; Q538-Y540 HydrophobicContact CB-CE2 4.07Å; Q538-Y540 HydrophobicContact CG-CD1 4.24Å; Q538-Y540 HydrophobicContact CG-CE1 3.74Å; Q538-Y540 HydrophobicContact CG-CE2 4.01Å; Y540-F570 AromaticContact CD1-CE1 3.45Å; Y540-F570 HydrophobicContact CD1-CE1 3.45Å; Y540-F570 VanDerWaalsContact CD1-CE1 3.45Å; Y540-F570 AromaticContact CD1-CZ 3.58Å; Y540-F570 HydrophobicContact CD1-CZ 3.58Å; Y540-F570 HydrophobicContact CD2-CE1 4.33Å; Y540-F570 AromaticContact CE1-CE1 3.77Å; Y540-F570 HydrophobicContact CE1-CE1 3.77Å; Y540-F570 HydrophobicContact CE1-CZ 4.23Å; Y540-F570 AromaticContact CG-CE1 3.74Å; Y540-F570 HydrophobicContact CG-CE1 3.74Å; Y540-F570 AromaticContact CG-CZ 3.99Å; Y540-F570 HydrophobicContact CG-CZ 3.99Å; Y540-L572 HydrophobicContact CD2-CD2 4.24Å; Y540-L572 HydrophobicContact CE2-CD2 3.61Å; Y540-L572 PolarHBondContact OH-O 2.95Å; Y540-V585 WeakPolarHBondContact CD1-O 3.49Å; Y540-V585 VanDerWaalsContact CE1-O 3.27Å; Y540-V585 WeakPolarHBondContact CE1-O 3.41Å
541	S	87.3	Confident	87	Confident	101 Å²	101	53.1 Å²	53.1	71%	0.706	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.1	177.7	-64.1	0	0	0	0	109.6
542	L	84.2	Confident	87.4	Confident	17 Å²	17	52.4 Å²	52.4	9%	0.089	28%	0.276	C	S	.	.			trans	-120.2	155.5	178.4	-60.1	175.8	0	0	0	110.5	G524 I526 C544 I560 F570 L588	G524-L542 WeakPolarHBondContact CA-O 3.32Å; G524-L542 WeakPolarHBondContact O-CB 3.4Å; G524-L542 PolarHBondContact O-N 2.85Å; I526-L542 HydrophobicContact CD1-CD1 3.32Å; I526-L542 HydrophobicContact CD1-CG 4.35Å; I526-L542 HydrophobicContact CG1-CD1 3.93Å; L542-C544 PolarHBondContact O-N 3.33Å; L542-I560 HydrophobicContact CD1-CD1 3.2Å; L542-F570 HydrophobicContact CD2-CD2 3.63Å; L542-F570 HydrophobicContact CD2-CE2 3.69Å; L542-F570 HydrophobicContact CD2-CG 4.49Å; L542-L588 HydrophobicContact CD2-CD1 4.46Å
543	N	83	Confident	87.9	Confident	181 Å²	181	52.2 Å²	52.2	97%	0.968	28%	0.276	S	S	*	.	S	Bend	trans	-88.3	16.1	177.6	-64.5	-17.8	0	0	0	112.8
544	C	82.4	Confident	88.3	Confident	27 Å²	27	52 Å²	52	18%	0.182	27%	0.274	C	S	.	.	S	Bend	trans	-133.2	146.6	-177.3	64.6	0	0	0	0	111.5	G524 L542 D562	G524-C544 WeakPolarHBondContact CA-O 3.36Å; L542-C544 PolarHBondContact O-N 3.33Å; C544-D562 HydrophobicContact CB-CB 4.13Å
545	R	87.1	Confident	88.6	Confident	96 Å²	96	52.3 Å²	52.3	36%	0.362	28%	0.277	S	S	.	.			trans	-94.3	100.3	172.8	177.7	178.1	166.9	154.1	5.4	108.8	E522 D562 I563	E522-R545 VanDerWaalsContact CG-CZ 3.5Å; E522-R545 IonicContact OE1-CZ 2.99Å; E522-R545 IonicContact OE1-NH1 3.79Å; E522-R545 IonicContact OE1-NH2 3.88Å; E522-R545 PolarHBondContact OE1-NH2 2.72Å; E522-R545 IonicContact OE2-CZ 3.26Å; E522-R545 IonicContact OE2-NH1 3.9Å; E522-R545 PolarHBondContact OE2-NH1 2.84Å; E522-R545 IonicContact OE2-NH2 2.69Å; R545-D562 VanDerWaalsContact O-CA 3.31Å; R545-D562 WeakPolarHBondContact O-CA 3.46Å; R545-I563 HydrophobicContact CG-CG2 4.19Å; R545-I563 PolarHBondContact O-N 3.49Å; R545-I563 VanDerWaalsContact O-N 3.14Å
546	G	85.6	Confident	88.7	Confident	8 Å²	8	53 Å²	53	8%	0.082	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.1	177.8	0	0	0	0	0	112.1	C508 I561	C508-G546 PolarHBondContact SG-O 2.95Å; G546-I561 CarbonylContact C-O 3.52Å; G546-I561 WeakPolarHBondContact CA-O 3.26Å
547	Y	86.2	Confident	88.8	Confident	86 Å²	86	53.2 Å²	53.2	34%	0.337	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-24.1	168.4	84.6	-95.8	0	0	0	112.4	I561 D562 W597	Y547-I561 HydrophobicContact CD1-CG2 4.31Å; Y547-I561 WeakPolarHBondContact CD1-O 3.46Å; Y547-I561 HydrophobicContact CE1-CB 3.97Å; Y547-I561 HydrophobicContact CE1-CG2 3.43Å; Y547-I561 VanDerWaalsContact CE1-CG2 3.43Å; Y547-I561 PolarHBondContact N-O 2.89Å; Y547-D562 WeakPolarHBondContact CD1-O 3.47Å; Y547-D562 VanDerWaalsContact CE1-O 3.23Å; Y547-D562 WeakPolarHBondContact CE1-O 3.21Å; Y547-W597 PolarHBondContact OH-O 3.3Å
548	Q	89.6	Confident	89.1	Confident	58 Å²	58	49.3 Å²	49.3	27%	0.271	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	130.3	177	-175.4	173	-6.5	0	0	110.1	I561	Q548-I561 HydrophobicContact CB-CB 4.31Å; Q548-I561 HydrophobicContact CB-CD1 4.49Å; Q548-I561 PolarHBondContact N-O 3.3Å; Q548-I561 PolarHBondContact O-N 2.97Å
549	L	93.8	Very high	89.4	Confident	15 Å²	15	45.8 Å²	45.8	8%	0.079	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.9	-178.2	-62.6	178.9	0	0	0	109.5	A509 T511 I518 L558 A559 I560	A509-L549 HydrophobicContact CB-CD1 3.79Å; A509-L549 HydrophobicContact CB-CG 3.8Å; T511-L549 VanDerWaalsContact CB-O 3.32Å; T511-L549 WeakPolarHBondContact CB-O 3.43Å; T511-L549 HydrophobicContact CG2-CB 3.67Å; T511-L549 PolarHBondContact OG1-O 2.84Å; I518-L549 HydrophobicContact CG2-CD1 4.16Å; L549-L558 HydrophobicContact CB-CD1 4.21Å; L549-L558 HydrophobicContact CD2-CD2 4.46Å; L549-A559 WeakPolarHBondContact CA-O 3.47Å; L549-I560 HydrophobicContact CD2-CB 4.13Å; L549-I560 HydrophobicContact CD2-CG1 3.8Å; L549-I560 HydrophobicContact CD2-CG2 3.85Å
550	S	93.9	Very high	89.5	Confident	28 Å²	28	41.3 Å²	41.3	20%	0.196	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	124.1	-178.6	-169.9	0	0	0	0	111.8	A559 W601	S550-A559 PolarHBondContact N-O 2.95Å; S550-A559 PolarHBondContact O-N 3.07Å; S550-W601 PolarHBondContact O-NE1 2.91Å
551	L	93.4	Very high	89.6	Confident	19 Å²	19	41 Å²	41	10%	0.099	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	140.6	177.8	-78	168.7	0	0	0	111.3	T511 I516 I518 L558 L572	T511-L551 HydrophobicContact CG2-CD1 4.06Å; T511-L551 HydrophobicContact CG2-CG 3.93Å; I516-L551 HydrophobicContact CD1-CD1 3.75Å; I516-L551 HydrophobicContact CD1-CD2 3.93Å; I516-L551 HydrophobicContact CG1-CD1 3.74Å; I518-L551 HydrophobicContact CD1-CD1 4.18Å; I518-L551 HydrophobicContact CD1-CD2 3.69Å; I518-L551 HydrophobicContact CD1-CG 4.2Å; I518-L551 HydrophobicContact CG1-CD1 4.26Å; L551-L558 HydrophobicContact CD2-CB 4.33Å; L551-L558 HydrophobicContact CD2-CD1 4.01Å; L551-L558 HydrophobicContact CG-CD1 4.16Å; L551-L572 HydrophobicContact CD2-CD1 3.75Å
552	N	92.2	Very high	89.7	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.016	19%	0.193	C	C	.	.			trans	-72	167.3	171	73.3	-17.9	0	0	0	111.9	N554 S555 S556 R557 W601 P606	N552-N554 PolarHBondContact ND2-OD1 2.81Å; N552-N554 PolarHBondContact O-N 3.05Å; N552-N554 VanDerWaalsContact O-N 3.11Å; N552-N554 PolarHBondContact OD1-OD1 3.35Å; N552-S555 PolarHBondContact O-N 3.37Å; N552-S555 WeakPolarHBondContact OD1-CA 3.34Å; N552-S555 PolarHBondContact OD1-N 3.42Å; N552-S555 VanDerWaalsContact OD1-N 3.11Å; N552-S556 PolarHBondContact ND2-OG 3.21Å; N552-S556 VanDerWaalsContact ND2-OG 3.13Å; N552-S556 PolarHBondContact OD1-N 3.27Å; N552-R557 PolarHBondContact N-O 3.31Å; N552-R557 VanDerWaalsContact N-O 3.1Å; N552-R557 PolarHBondContact OD1-N 3.34Å; N552-R557 PolarHBondContact OD1-O 3.36Å; N552-W601 HydrophobicContact CB-CB 4.5Å; N552-W601 HydrophobicContact CB-CD2 3.54Å; N552-W601 HydrophobicContact CB-CE3 3.7Å; N552-W601 HydrophobicContact CB-CG 3.9Å; N552-W601 HydrophobicContact CB-CH2 4.36Å; N552-W601 HydrophobicContact CB-CZ2 4.18Å; N552-W601 HydrophobicContact CB-CZ3 4.13Å; N552-P606 PolarHBondContact ND2-O 3.33Å
553	C	89.1	Confident	89.6	Confident	60 Å²	60	42.2 Å²	42.2	41%	0.405	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.6	-169.7	66	0	0	0	0	114.8	K603 P606	C553-K603 VanDerWaalsContact CB-O 3.28Å; C553-K603 WeakPolarHBondContact CB-O 3.44Å; C553-P606 VanDerWaalsContact SG-CA 3.52Å; C553-P606 VanDerWaalsContact SG-N 3.35Å
554	N	90.1	Very high	89.4	Confident	76 Å²	76	37.3 Å²	37.3	41%	0.406	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-1.3	176.9	70	-1.2	0	0	0	113.6	N552 S556 P606	N552-N554 PolarHBondContact ND2-OD1 2.81Å; N552-N554 PolarHBondContact O-N 3.05Å; N552-N554 VanDerWaalsContact O-N 3.11Å; N552-N554 PolarHBondContact OD1-OD1 3.35Å; N554-S556 VanDerWaalsContact C-N 3.31Å; N554-S556 PolarHBondContact ND2-OG 3.07Å; N554-S556 PolarHBondContact O-N 3.1Å; N554-S556 WeakPolarHBondContact OD1-CB 3.49Å; N554-S556 PolarHBondContact OD1-N 3.32Å; N554-S556 PolarHBondContact OD1-OG 2.9Å; N554-P606 HydrophobicContact CB-CB 4.49Å
555	S	90.9	Very high	89.5	Confident	8 Å²	8	36.1 Å²	36.1	6%	0.056	19%	0.19	C	C	.	.	S	Bend	trans	63.5	26	-177.9	-49.4	0	0	0	0	115.5	S513 N552	S513-S555 WeakPolarHBondContact CB-OG 3.34Å; S513-S555 PolarHBondContact OG-OG 3.1Å; N552-S555 PolarHBondContact O-N 3.37Å; N552-S555 WeakPolarHBondContact OD1-CA 3.34Å; N552-S555 PolarHBondContact OD1-N 3.42Å; N552-S555 VanDerWaalsContact OD1-N 3.11Å
556	S	90	Very high	89.7	Confident	22 Å²	22	32.3 Å²	32.3	15%	0.154	18%	0.178	C	C	.	.	S	Bend	trans	-90.8	-30.9	177.4	74.2	0	0	0	0	113.4	N552 N554 L572	N552-S556 PolarHBondContact ND2-OG 3.21Å; N552-S556 VanDerWaalsContact ND2-OG 3.13Å; N552-S556 PolarHBondContact OD1-N 3.27Å; N554-S556 VanDerWaalsContact C-N 3.31Å; N554-S556 PolarHBondContact ND2-OG 3.07Å; N554-S556 PolarHBondContact O-N 3.1Å; N554-S556 WeakPolarHBondContact OD1-CB 3.49Å; N554-S556 PolarHBondContact OD1-N 3.32Å; N554-S556 PolarHBondContact OD1-OG 2.9Å; S556-L572 WeakPolarHBondContact O-CB 3.21Å; S556-L572 PolarHBondContact O-N 3.26Å
557	R	91.4	Very high	90	Very high	50 Å²	50	31.9 Å²	31.9	19%	0.189	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.5	-177.8	-64.8	178.7	-177.1	154.5	0	110.8	N552 F570 W601 D607 N622	N552-R557 PolarHBondContact N-O 3.31Å; N552-R557 VanDerWaalsContact N-O 3.1Å; N552-R557 PolarHBondContact OD1-N 3.34Å; N552-R557 PolarHBondContact OD1-O 3.36Å; R557-F570 WeakPolarHBondContact CA-O 3.26Å; R557-W601 HydrophobicContact CB-CH2 4.17Å; R557-W601 HydrophobicContact CB-CZ2 4.21Å; R557-D607 IonicContact CZ-OD1 2.69Å; R557-D607 IonicContact NH1-OD1 3.82Å; R557-D607 PolarHBondContact NH1-OD1 3.32Å; R557-D607 IonicContact NH2-OD1 3.9Å; R557-N622 PolarHBondContact NH1-OD1 3.4Å
558	L	93.1	Very high	90.3	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.7	175.6	179.5	64.4	0	0	0	109.3	T511 I518 I526 L549 L551 I560 F569 F570 L572	T511-L558 HydrophobicContact CG2-CD1 3.99Å; I518-L558 HydrophobicContact CD1-CD1 4.1Å; I518-L558 HydrophobicContact CD1-CD2 3.98Å; I518-L558 HydrophobicContact CD1-CG 4.48Å; I518-L558 HydrophobicContact CG2-CD2 4.19Å; I526-L558 HydrophobicContact CD1-CD2 3.67Å; I526-L558 HydrophobicContact CG2-CD2 4.31Å; L549-L558 HydrophobicContact CB-CD1 4.21Å; L549-L558 HydrophobicContact CD2-CD2 4.46Å; L551-L558 HydrophobicContact CD2-CB 4.33Å; L551-L558 HydrophobicContact CD2-CD1 4.01Å; L551-L558 HydrophobicContact CG-CD1 4.16Å; L558-I560 HydrophobicContact CD2-CD1 4.01Å; L558-I560 HydrophobicContact CD2-CG1 4.01Å; L558-I560 HydrophobicContact CG-CD1 4.32Å; L558-I560 HydrophobicContact CG-CG1 3.87Å; L558-F569 CarbonylContact O-C 3.58Å; L558-F569 WeakPolarHBondContact O-CA 3.17Å; L558-F570 HydrophobicContact CB-CB 4.42Å; L558-F570 PolarHBondContact N-O 3.13Å; L558-F570 PolarHBondContact O-N 3.1Å; L558-L572 HydrophobicContact CB-CD1 4.3Å; L558-L572 HydrophobicContact CB-CD2 4.49Å; L558-L572 HydrophobicContact CB-CG 4.35Å
559	A	93.7	Very high	90.4	Very high	2 Å²	2	26 Å²	26	2%	0.017	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	137.4	168.4	0	0	0	0	0	110.3	L549 S550 L567 F569 M599 W601	L549-A559 WeakPolarHBondContact CA-O 3.47Å; S550-A559 PolarHBondContact N-O 2.95Å; S550-A559 PolarHBondContact O-N 3.07Å; A559-L567 HydrophobicContact CB-CD1 4.1Å; A559-F569 HydrophobicContact CB-CD1 4.07Å; A559-F569 HydrophobicContact CB-CE1 3.89Å; A559-M599 HydrophobicContact CB-CE 3.07Å; A559-M599 HydrophobicContact CB-SD 3.48Å; A559-M599 WeakPolarHBondContact CB-SD 3.39Å; A559-W601 HydrophobicContact CB-CZ2 3.98Å
560	I	93.5	Very high	90.2	Very high	2 Å²	2	26 Å²	26	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	117.7	-172	-52.1	175.9	0	0	0	107.7	I526 L542 L549 L558 L567 T568 F570	I526-I560 HydrophobicContact CD1-CD1 3.67Å; L542-I560 HydrophobicContact CD1-CD1 3.2Å; L549-I560 HydrophobicContact CD2-CB 4.13Å; L549-I560 HydrophobicContact CD2-CG1 3.8Å; L549-I560 HydrophobicContact CD2-CG2 3.85Å; L558-I560 HydrophobicContact CD2-CD1 4.01Å; L558-I560 HydrophobicContact CD2-CG1 4.01Å; L558-I560 HydrophobicContact CG-CD1 4.32Å; L558-I560 HydrophobicContact CG-CG1 3.87Å; I560-L567 WeakPolarHBondContact O-CA 3.34Å; I560-T568 PolarHBondContact N-O 3.47Å; I560-T568 PolarHBondContact O-N 2.71Å; I560-T568 PolarHBondContact O-OG1 3.45Å; I560-F570 HydrophobicContact CD1-CB 4.12Å
561	I	91.9	Very high	90	Very high	3 Å²	3	26 Å²	26	2%	0.015	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	120.6	169	-49.5	176.2	0	0	0	107.7	G546 Y547 Q548 V566 L567 V596 M599	G546-I561 CarbonylContact C-O 3.52Å; G546-I561 WeakPolarHBondContact CA-O 3.26Å; Y547-I561 HydrophobicContact CD1-CG2 4.31Å; Y547-I561 WeakPolarHBondContact CD1-O 3.46Å; Y547-I561 HydrophobicContact CE1-CB 3.97Å; Y547-I561 HydrophobicContact CE1-CG2 3.43Å; Y547-I561 VanDerWaalsContact CE1-CG2 3.43Å; Y547-I561 PolarHBondContact N-O 2.89Å; Q548-I561 HydrophobicContact CB-CB 4.31Å; Q548-I561 HydrophobicContact CB-CD1 4.49Å; Q548-I561 PolarHBondContact N-O 3.3Å; Q548-I561 PolarHBondContact O-N 2.97Å; I561-V566 WeakPolarHBondContact CA-O 3.34Å; I561-L567 HydrophobicContact CG1-CB 4.43Å; I561-L567 HydrophobicContact CG1-CD1 3.77Å; I561-V596 HydrophobicContact CD1-CG1 4.15Å; I561-M599 HydrophobicContact CD1-CB 4.04Å
562	D	88.1	Confident	89.7	Confident	24 Å²	24	25.1 Å²	25.1	13%	0.128	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	167.1	178.6	78.3	13.4	0	0	0	113.2	C544 R545 Y547 S564 G565 V566	C544-D562 HydrophobicContact CB-CB 4.13Å; R545-D562 VanDerWaalsContact O-CA 3.31Å; R545-D562 WeakPolarHBondContact O-CA 3.46Å; Y547-D562 WeakPolarHBondContact CD1-O 3.47Å; Y547-D562 VanDerWaalsContact CE1-O 3.23Å; Y547-D562 WeakPolarHBondContact CE1-O 3.21Å; D562-S564 VanDerWaalsContact CG-OG 3.22Å; D562-S564 PolarHBondContact O-N 3.24Å; D562-S564 VanDerWaalsContact OD1-C 3.29Å; D562-S564 VanDerWaalsContact OD1-CA 3.26Å; D562-S564 WeakPolarHBondContact OD1-CA 3.38Å; D562-S564 WeakPolarHBondContact OD1-CB 3.43Å; D562-S564 PolarHBondContact OD1-N 3.17Å; D562-S564 PolarHBondContact OD1-OG 3.19Å; D562-S564 PolarHBondContact OD2-OG 3.38Å; D562-S564 VanDerWaalsContact OD2-OG 3.12Å; D562-G565 PolarHBondContact O-N 3.33Å; D562-G565 PolarHBondContact OD1-N 3.21Å; D562-V566 PolarHBondContact N-O 3.02Å; D562-V566 PolarHBondContact OD1-N 2.96Å; D562-V566 WeakPolarHBondContact OD2-CB 3.37Å
563	I	81.6	Confident	89.4	Confident	119 Å²	119	28.8 Å²	28.8	61%	0.61	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-15.3	179	59	166.3	0	0	0	114.5	R545	R545-I563 HydrophobicContact CG-CG2 4.19Å; R545-I563 PolarHBondContact O-N 3.49Å; R545-I563 VanDerWaalsContact O-N 3.14Å
564	S	80.1	Confident	89.2	Confident	77 Å²	77	27 Å²	27	54%	0.538	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	1.9	176.3	70.5	0	0	0	0	113.4	D562 V566	D562-S564 VanDerWaalsContact CG-OG 3.22Å; D562-S564 PolarHBondContact O-N 3.24Å; D562-S564 VanDerWaalsContact OD1-C 3.29Å; D562-S564 VanDerWaalsContact OD1-CA 3.26Å; D562-S564 WeakPolarHBondContact OD1-CA 3.38Å; D562-S564 WeakPolarHBondContact OD1-CB 3.43Å; D562-S564 PolarHBondContact OD1-N 3.17Å; D562-S564 PolarHBondContact OD1-OG 3.19Å; D562-S564 PolarHBondContact OD2-OG 3.38Å; D562-S564 VanDerWaalsContact OD2-OG 3.12Å; S564-V566 WeakPolarHBondContact OG-CG2 3.37Å
565	G	84.7	Confident	88.7	Confident	2 Å²	2	32.6 Å²	32.6	2%	0.021	17%	0.167	C	C	.	.	S	Bend	trans	79.1	24.7	-179.8	0	0	0	0	0	113.5	D562 R594 D595 V596	D562-G565 PolarHBondContact O-N 3.33Å; D562-G565 PolarHBondContact OD1-N 3.21Å; G565-R594 CarbonylContact O-C 3.59Å; G565-D595 PolarHBondContact O-N 3.5Å; G565-V596 PolarHBondContact O-N 3.44Å
566	V	89.8	Confident	88.1	Confident	16 Å²	16	34.6 Å²	34.6	10%	0.097	18%	0.179	C	C	.	.			trans	-94.4	119.8	174.8	-174.1	0	0	0	0	109.5	I561 D562 S564 T568 E592 R593 R594	I561-V566 WeakPolarHBondContact CA-O 3.34Å; D562-V566 PolarHBondContact N-O 3.02Å; D562-V566 PolarHBondContact OD1-N 2.96Å; D562-V566 WeakPolarHBondContact OD2-CB 3.37Å; S564-V566 WeakPolarHBondContact OG-CG2 3.37Å; V566-T568 HydrophobicContact CG1-CG2 4.28Å; V566-E592 HydrophobicContact CG1-CG 3.32Å; V566-R593 CarbonylContact C-O 3.58Å; V566-R593 VanDerWaalsContact CA-O 3.27Å; V566-R593 WeakPolarHBondContact CA-O 3.37Å; V566-R594 HydrophobicContact CG2-CG 4.12Å
567	L	92.4	Very high	87.5	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	126.5	172.6	174.6	67.5	0	0	0	109.9	A559 I560 I561 F569 R593 V596 M599 M611	A559-L567 HydrophobicContact CB-CD1 4.1Å; I560-L567 WeakPolarHBondContact O-CA 3.34Å; I561-L567 HydrophobicContact CG1-CB 4.43Å; I561-L567 HydrophobicContact CG1-CD1 3.77Å; L567-F569 HydrophobicContact CD1-CE2 4.43Å; L567-F569 HydrophobicContact CD1-CZ 4.35Å; L567-F569 HydrophobicContact CD2-CE2 3.82Å; L567-F569 HydrophobicContact CD2-CZ 3.84Å; L567-F569 HydrophobicContact CG-CE2 3.94Å; L567-F569 HydrophobicContact CG-CZ 4.21Å; L567-R593 HydrophobicContact CB-CB 4.37Å; L567-R593 PolarHBondContact N-O 3.5Å; L567-R593 PolarHBondContact O-N 2.86Å; L567-V596 HydrophobicContact CB-CB 3.93Å; L567-V596 HydrophobicContact CB-CG1 4.02Å; L567-V596 HydrophobicContact CB-CG2 3.89Å; L567-V596 HydrophobicContact CD2-CG1 4.16Å; L567-M599 HydrophobicContact CD1-CG 4.32Å; L567-M599 HydrophobicContact CD2-CG 4.24Å; L567-M611 HydrophobicContact CD2-CB 4.23Å; L567-M611 HydrophobicContact CD2-SD 3.72Å
568	T	92.4	Very high	86.6	Confident	19 Å²	19	39 Å²	39	12%	0.117	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	158.6	172.2	56.1	0	0	0	0	110.3	I560 V566 E592	I560-T568 PolarHBondContact N-O 3.47Å; I560-T568 PolarHBondContact O-N 2.71Å; I560-T568 PolarHBondContact O-OG1 3.45Å; V566-T568 HydrophobicContact CG1-CG2 4.28Å; T568-E592 HydrophobicContact CG2-CG 4.41Å
569	F	91.4	Very high	85.5	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	136.6	179	-67.4	-92.2	0	0	0	110.6	L558 A559 L567 L589 L591 M599 W601 F609	L558-F569 CarbonylContact O-C 3.58Å; L558-F569 WeakPolarHBondContact O-CA 3.17Å; A559-F569 HydrophobicContact CB-CD1 4.07Å; A559-F569 HydrophobicContact CB-CE1 3.89Å; L567-F569 HydrophobicContact CD1-CE2 4.43Å; L567-F569 HydrophobicContact CD1-CZ 4.35Å; L567-F569 HydrophobicContact CD2-CE2 3.82Å; L567-F569 HydrophobicContact CD2-CZ 3.84Å; L567-F569 HydrophobicContact CG-CE2 3.94Å; L567-F569 HydrophobicContact CG-CZ 4.21Å; F569-L589 HydrophobicContact CB-CB 4.06Å; F569-L589 HydrophobicContact CB-CD1 3.77Å; F569-L589 HydrophobicContact CB-CG 4.16Å; F569-L589 PolarHBondContact O-N 3.17Å; F569-L591 HydrophobicContact CD2-CB 4.44Å; F569-L591 HydrophobicContact CD2-CD2 4.15Å; F569-L591 HydrophobicContact CE2-CD2 3.83Å; F569-L591 HydrophobicContact CE2-CG 4.5Å; F569-M599 HydrophobicContact CD1-CE 4.46Å; F569-M599 HydrophobicContact CE1-CE 3.36Å; F569-M599 HydrophobicContact CZ-CE 3.67Å; F569-W601 AromaticContact CD1-CH2 3.61Å; F569-W601 HydrophobicContact CD1-CH2 3.61Å; F569-W601 AromaticContact CD1-CZ2 3.6Å; F569-W601 HydrophobicContact CD1-CZ2 3.6Å; F569-W601 AromaticContact CE1-CH2 3.41Å; F569-W601 HydrophobicContact CE1-CH2 3.41Å; F569-W601 VanDerWaalsContact CE1-CH2 3.41Å; F569-W601 AromaticContact CE1-CZ2 3.43Å; F569-W601 HydrophobicContact CE1-CZ2 3.43Å; F569-W601 VanDerWaalsContact CE1-CZ2 3.43Å; F569-W601 HydrophobicContact CE1-CZ3 4.38Å; F569-F609 HydrophobicContact CE1-CD1 4.25Å; F569-F609 HydrophobicContact CE1-CD2 4.47Å; F569-F609 AromaticContact CE1-CE1 3.99Å; F569-F609 HydrophobicContact CE1-CE1 3.99Å; F569-F609 HydrophobicContact CE1-CE2 4.25Å; F569-F609 HydrophobicContact CE1-CG 4.47Å; F569-F609 AromaticContact CE1-CZ 3.99Å; F569-F609 HydrophobicContact CE1-CZ 3.99Å; F569-F609 HydrophobicContact CE2-CE1 4.45Å; F569-F609 HydrophobicContact CE2-CE2 4.11Å; F569-F609 AromaticContact CE2-CZ 3.77Å; F569-F609 HydrophobicContact CE2-CZ 3.77Å; F569-F609 HydrophobicContact CZ-CD1 4.26Å; F569-F609 AromaticContact CZ-CD2 3.94Å; F569-F609 HydrophobicContact CZ-CD2 3.94Å; F569-F609 AromaticContact CZ-CE1 3.73Å; F569-F609 HydrophobicContact CZ-CE1 3.73Å; F569-F609 AromaticContact CZ-CE2 3.38Å; F569-F609 HydrophobicContact CZ-CE2 3.38Å; F569-F609 HydrophobicContact CZ-CG 4.34Å; F569-F609 AromaticContact CZ-CZ 3.24Å; F569-F609 HydrophobicContact CZ-CZ 3.24Å
570	F	90.8	Very high	84.4	Confident	14 Å²	14	49 Å²	49	6%	0.061	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	121.3	179	-167.2	-95.2	0	0	0	109.6	Y540 L542 R557 L558 I560 L572 E587 L588	Y540-F570 AromaticContact CD1-CE1 3.45Å; Y540-F570 HydrophobicContact CD1-CE1 3.45Å; Y540-F570 VanDerWaalsContact CD1-CE1 3.45Å; Y540-F570 AromaticContact CD1-CZ 3.58Å; Y540-F570 HydrophobicContact CD1-CZ 3.58Å; Y540-F570 HydrophobicContact CD2-CE1 4.33Å; Y540-F570 AromaticContact CE1-CE1 3.77Å; Y540-F570 HydrophobicContact CE1-CE1 3.77Å; Y540-F570 HydrophobicContact CE1-CZ 4.23Å; Y540-F570 AromaticContact CG-CE1 3.74Å; Y540-F570 HydrophobicContact CG-CE1 3.74Å; Y540-F570 AromaticContact CG-CZ 3.99Å; Y540-F570 HydrophobicContact CG-CZ 3.99Å; L542-F570 HydrophobicContact CD2-CD2 3.63Å; L542-F570 HydrophobicContact CD2-CE2 3.69Å; L542-F570 HydrophobicContact CD2-CG 4.49Å; R557-F570 WeakPolarHBondContact CA-O 3.26Å; L558-F570 HydrophobicContact CB-CB 4.42Å; L558-F570 PolarHBondContact N-O 3.13Å; L558-F570 PolarHBondContact O-N 3.1Å; I560-F570 HydrophobicContact CD1-CB 4.12Å; F570-L572 HydrophobicContact CD1-CD2 3.89Å; F570-L572 HydrophobicContact CD1-CG 4.45Å; F570-L572 HydrophobicContact CE1-CD2 4.16Å; F570-E587 WeakPolarHBondContact CA-O 3.41Å; F570-L588 HydrophobicContact CD2-CB 4.22Å; F570-L588 HydrophobicContact CD2-CD1 4.18Å
571	D	90	Very high	83.2	Confident	30 Å²	30	51.6 Å²	51.6	16%	0.16	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	122.6	171.8	-165.2	-48.4	0	0	0	108.6	D573 A574 G586 E587 L589	D571-D573 PolarHBondContact OD1-N 2.94Å; D571-A574 HydrophobicContact CB-CB 3.87Å; D571-A574 PolarHBondContact OD1-N 3.12Å; D571-G586 CarbonylContact O-C 3.57Å; D571-G586 WeakPolarHBondContact O-CA 3.5Å; D571-E587 PolarHBondContact N-O 3.24Å; D571-E587 PolarHBondContact O-N 3.36Å; D571-L589 HydrophobicContact CB-CD2 4.39Å
572	L	87.3	Confident	82.3	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-21.7	-173.5	-67.9	166.2	0	0	0	113.2	I516 I518 Y540 L551 S556 L558 F570	I516-L572 HydrophobicContact CD1-CD1 4.09Å; I518-L572 HydrophobicContact CD1-CD1 3.81Å; I518-L572 HydrophobicContact CD1-CD2 4.18Å; Y540-L572 HydrophobicContact CD2-CD2 4.24Å; Y540-L572 HydrophobicContact CE2-CD2 3.61Å; Y540-L572 PolarHBondContact OH-O 2.95Å; L551-L572 HydrophobicContact CD2-CD1 3.75Å; S556-L572 WeakPolarHBondContact O-CB 3.21Å; S556-L572 PolarHBondContact O-N 3.26Å; L558-L572 HydrophobicContact CB-CD1 4.3Å; L558-L572 HydrophobicContact CB-CD2 4.49Å; L558-L572 HydrophobicContact CB-CG 4.35Å; F570-L572 HydrophobicContact CD1-CD2 3.89Å; F570-L572 HydrophobicContact CD1-CG 4.45Å; F570-L572 HydrophobicContact CE1-CD2 4.16Å
573	D	85.5	Confident	81.4	Confident	80 Å²	80	63.7 Å²	63.7	43%	0.428	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	-9.2	-170.3	-62.3	-33.5	0	0	0	112.5	R528 D571	R528-D573 IonicContact CZ-OD1 3.6Å; R528-D573 IonicContact NH1-OD1 3.63Å; R528-D573 PolarHBondContact NH1-OD1 3.47Å; R528-D573 IonicContact NH2-OD1 2.8Å; R528-D573 PolarHBondContact NH2-OD1 2.82Å; D571-D573 PolarHBondContact OD1-N 2.94Å
574	A	83.9	Confident	81.2	Confident	21 Å²	21	61.3 Å²	61.3	17%	0.174	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	137.3	171.3	0	0	0	0	0	111.8	D571 V585 G586 E587	D571-A574 HydrophobicContact CB-CB 3.87Å; D571-A574 PolarHBondContact OD1-N 3.12Å; A574-V585 CarbonylContact O-C 3.6Å; A574-V585 WeakPolarHBondContact O-CA 3.1Å; A574-G586 PolarHBondContact O-N 3.27Å; A574-E587 HydrophobicContact CB-CB 3.86Å
575	R	80.9	Confident	81.1	Confident	194 Å²	194	60.1 Å²	60.1	73%	0.732	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	111.9	175.5	-63.5	-175	-176.1	-174.6	0.8	108.9
576	V	78.3	Confident	81	Confident	51 Å²	51	60.5 Å²	60.5	31%	0.309	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.3	-177.7	-174.8	0	0	0	0	109.3	V584 E587	V576-V584 PolarHBondContact N-O 3.33Å; V576-V584 PolarHBondContact O-N 3.4Å; V576-V584 VanDerWaalsContact O-O 3.11Å; V576-E587 HydrophobicContact CG2-CB 3.72Å; V576-E587 HydrophobicContact CG2-CG 3.85Å; V576-E587 WeakPolarHBondContact CG2-OE2 3.44Å
577	T	76.7	Confident	80.8	Confident	85 Å²	85	63.8 Å²	63.8	52%	0.521	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	117.1	172.5	-46.4	0	0	0	0	108.4	Q582	T577-Q582 WeakPolarHBondContact CA-O 3.15Å
578	D	72.1	Confident	80.4	Confident	78 Å²	78	68.1 Å²	68.1	42%	0.417	38%	0.378	S	S	.	.			trans	-67.7	165.5	177.5	-171.6	18.5	0	0	0	111.2	T580 G581 Q582 V584	D578-T580 PolarHBondContact O-N 2.8Å; D578-G581 PolarHBondContact O-N 3.25Å; D578-Q582 PolarHBondContact N-O 3.27Å; D578-V584 HydrophobicContact CB-CG2 3.85Å
579	S	69.6	Low	80.1	Confident	117 Å²	117	68.7 Å²	68.7	82%	0.818	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-20.1	175.2	57.5	0	0	0	0	114.6
580	T	71.4	Confident	79.7	Confident	97 Å²	97	78.5 Å²	78.5	60%	0.595	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-0.9	177	59	0	0	0	0	114.1	D578 Q582	D578-T580 PolarHBondContact O-N 2.8Å; T580-Q582 VanDerWaalsContact C-N 3.34Å
581	G	68.7	Low	79.4	Confident	56 Å²	56	79.2 Å²	79.2	58%	0.577	43%	0.427	S	S	*	.	S	Bend	trans	82.5	3.2	-177.7	0	0	0	0	0	115	D578	D578-G581 PolarHBondContact O-N 3.25Å
582	Q	72.1	Confident	79.3	Confident	137 Å²	137	82.4 Å²	82.4	64%	0.64	44%	0.441	S	S	*	.			trans	-85.8	140.1	177.1	-67.9	-174.9	-6.2	0	0	111.6	T577 D578 T580 V584	T577-Q582 WeakPolarHBondContact CA-O 3.15Å; D578-Q582 PolarHBondContact N-O 3.27Å; T580-Q582 VanDerWaalsContact C-N 3.34Å; Q582-V584 PolarHBondContact O-N 3.31Å
583	Q	70.6	Confident	79.5	Confident	144 Å²	144	85.5 Å²	85.5	67%	0.673	45%	0.453	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	115.3	172.9	-72.4	-169.9	-5.1	0	0	110
584	V	76.6	Confident	79.7	Confident	68 Å²	68	89.2 Å²	89.2	41%	0.412	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	137.9	173.4	-175.6	0	0	0	0	108.4	V576 D578 Q582	V576-V584 PolarHBondContact N-O 3.33Å; V576-V584 PolarHBondContact O-N 3.4Å; V576-V584 VanDerWaalsContact O-O 3.11Å; D578-V584 HydrophobicContact CB-CG2 3.85Å; Q582-V584 PolarHBondContact O-N 3.31Å
585	V	78.9	Confident	79.9	Confident	52 Å²	52	90.9 Å²	90.9	32%	0.315	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	128.3	175.2	-177.3	0	0	0	0	108.3	Y540 A574	Y540-V585 WeakPolarHBondContact CD1-O 3.49Å; Y540-V585 VanDerWaalsContact CE1-O 3.27Å; Y540-V585 WeakPolarHBondContact CE1-O 3.41Å; A574-V585 CarbonylContact O-C 3.6Å; A574-V585 WeakPolarHBondContact O-CA 3.1Å
586	G	81.5	Confident	80.3	Confident	11 Å²	11	81.6 Å²	81.6	11%	0.113	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.5	136.5	-178.7	0	0	0	0	0	112.9	D571 A574	D571-G586 CarbonylContact O-C 3.57Å; D571-G586 WeakPolarHBondContact O-CA 3.5Å; A574-G586 PolarHBondContact O-N 3.27Å
587	E	86.2	Confident	80.8	Confident	85 Å²	85	80 Å²	80	40%	0.397	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.6	178.2	-170.6	179	175.3	0	0	111	F570 D571 A574 V576	F570-E587 WeakPolarHBondContact CA-O 3.41Å; D571-E587 PolarHBondContact N-O 3.24Å; D571-E587 PolarHBondContact O-N 3.36Å; A574-E587 HydrophobicContact CB-CB 3.86Å; V576-E587 HydrophobicContact CG2-CB 3.72Å; V576-E587 HydrophobicContact CG2-CG 3.85Å; V576-E587 WeakPolarHBondContact CG2-OE2 3.44Å
588	L	84.4	Confident	81.4	Confident	90 Å²	90	76.9 Å²	76.9	47%	0.471	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	119.1	169.1	-172.6	72.7	0	0	0	109.5	L542 F570	L542-L588 HydrophobicContact CD2-CD1 4.46Å; F570-L588 HydrophobicContact CD2-CB 4.22Å; F570-L588 HydrophobicContact CD2-CD1 4.18Å
589	L	85.2	Confident	82.4	Confident	32 Å²	32	73.5 Å²	73.5	17%	0.168	38%	0.382	C	S	.	.			trans	-73	150.6	178.8	-56.7	-176.4	0	0	0	110.9	F569 D571 L591 L623	F569-L589 HydrophobicContact CB-CB 4.06Å; F569-L589 HydrophobicContact CB-CD1 3.77Å; F569-L589 HydrophobicContact CB-CG 4.16Å; F569-L589 PolarHBondContact O-N 3.17Å; D571-L589 HydrophobicContact CB-CD2 4.39Å; L589-L591 PolarHBondContact O-N 3.05Å; L589-L623 HydrophobicContact CD1-CD1 4.47Å; L589-L623 HydrophobicContact CD1-CD2 4.39Å
590	K	82.6	Confident	83.6	Confident	206 Å²	206	71 Å²	71	90%	0.896	36%	0.357	S	S	*	.	S	Bend	trans	-69.6	-12.2	-175.1	-66.2	179.8	-179.8	175.7	0	115.2	E592	K590-E592 PolarHBondContact O-N 2.97Å
591	L	85	Confident	84.7	Confident	29 Å²	29	67 Å²	67	15%	0.152	33%	0.331	C	S	.	.			trans	-78.6	109.1	-177.4	-176.2	69	0	0	0	110.3	F569 L589 F609 F620 L623	F569-L591 HydrophobicContact CD2-CB 4.44Å; F569-L591 HydrophobicContact CD2-CD2 4.15Å; F569-L591 HydrophobicContact CE2-CD2 3.83Å; F569-L591 HydrophobicContact CE2-CG 4.5Å; L589-L591 PolarHBondContact O-N 3.05Å; L591-F609 HydrophobicContact CD2-CZ 4.21Å; L591-F620 HydrophobicContact CD1-CE1 4.42Å; L591-F620 HydrophobicContact CD2-CD1 4.26Å; L591-F620 HydrophobicContact CD2-CE1 3.95Å; L591-L623 HydrophobicContact CB-CD2 3.98Å; L591-L623 HydrophobicContact CD2-CB 4.1Å; L591-L623 HydrophobicContact CD2-CD2 3.54Å; L591-L623 HydrophobicContact CD2-CG 4.41Å; L591-L623 HydrophobicContact CG-CD2 4.4Å
592	E	88.8	Confident	85.8	Confident	98 Å²	98	64.4 Å²	64.4	46%	0.458	30%	0.304	S	S	.	.			trans	-112	131.4	171.5	-173	-170.6	137.9	0	0	109.4	V566 T568 K590 R594	V566-E592 HydrophobicContact CG1-CG 3.32Å; T568-E592 HydrophobicContact CG2-CG 4.41Å; K590-E592 PolarHBondContact O-N 2.97Å; E592-R594 IonicContact OE1-CZ 3.77Å; E592-R594 IonicContact OE1-NE 3.5Å; E592-R594 PolarHBondContact OE1-NE 2.91Å; E592-R594 IonicContact OE1-NH2 2.64Å; E592-R594 PolarHBondContact OE1-NH2 2.55Å
593	R	90.2	Very high	86.7	Confident	64 Å²	64	63.5 Å²	63.5	24%	0.242	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-127.9	137.4	172.8	-67	-63.6	-117.8	-142.8	-2.9	110	V566 L567 V596 M611 E613	V566-R593 CarbonylContact C-O 3.58Å; V566-R593 VanDerWaalsContact CA-O 3.27Å; V566-R593 WeakPolarHBondContact CA-O 3.37Å; L567-R593 HydrophobicContact CB-CB 4.37Å; L567-R593 PolarHBondContact N-O 3.5Å; L567-R593 PolarHBondContact O-N 2.86Å; R593-V596 HydrophobicContact CB-CG2 3.69Å; R593-M611 HydrophobicContact CB-CE 4.01Å; R593-M611 HydrophobicContact CB-SD 4.13Å; R593-M611 HydrophobicContact CG-CE 3.71Å; R593-M611 HydrophobicContact CG-SD 3.94Å; R593-E613 IonicContact NE-OE2 2.83Å
594	R	90.3	Very high	87.6	Confident	159 Å²	159	59.4 Å²	59.4	60%	0.6	28%	0.28	S	S	*	.	S	Bend	trans	-106.3	162.7	-179	-56	-168.5	176.1	175.2	-1.1	110.3	G565 V566 E592 V596 E613	G565-R594 CarbonylContact O-C 3.59Å; V566-R594 HydrophobicContact CG2-CG 4.12Å; E592-R594 IonicContact OE1-CZ 3.77Å; E592-R594 IonicContact OE1-NE 3.5Å; E592-R594 PolarHBondContact OE1-NE 2.91Å; E592-R594 IonicContact OE1-NH2 2.64Å; E592-R594 PolarHBondContact OE1-NH2 2.55Å; R594-V596 PolarHBondContact O-N 3.12Å; R594-E613 WeakPolarHBondContact O-CG 3.36Å
595	D	87.1	Confident	88.1	Confident	55 Å²	55	58.2 Å²	58.2	29%	0.294	27%	0.272	S	S	.	.	S	Bend	trans	59.3	30.1	-179.1	-52.9	-43.3	0	0	0	113.6	F2 G565 E613 K614	F2-D595 VanDerWaalsContact CZ-C 3.48Å; F2-D595 VanDerWaalsContact CZ-CA 3.5Å; F2-D595 HydrophobicContact CZ-CB 3.92Å; F2-D595 WeakPolarHBondContact CZ-O 3.49Å; G565-D595 PolarHBondContact O-N 3.5Å; D595-E613 WeakPolarHBondContact O-CA 3.38Å; D595-K614 HydrophobicContact CB-CG 3.95Å; D595-K614 PolarHBondContact O-N 2.98Å; D595-K614 WeakPolarHBondContact OD2-CE 3.2Å; D595-K614 IonicContact OD2-NZ 2.61Å; D595-K614 PolarHBondContact OD2-NZ 3.1Å
596	V	89.9	Confident	88.6	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.1	177.8	-178	0	0	0	0	109.6	I561 G565 L567 R593 R594 M611 M612	I561-V596 HydrophobicContact CD1-CG1 4.15Å; G565-V596 PolarHBondContact O-N 3.44Å; L567-V596 HydrophobicContact CB-CB 3.93Å; L567-V596 HydrophobicContact CB-CG1 4.02Å; L567-V596 HydrophobicContact CB-CG2 3.89Å; L567-V596 HydrophobicContact CD2-CG1 4.16Å; R593-V596 HydrophobicContact CB-CG2 3.69Å; R594-V596 PolarHBondContact O-N 3.12Å; V596-M611 HydrophobicContact CG1-CB 4.3Å; V596-M611 HydrophobicContact CG2-CE 4.35Å; V596-M611 HydrophobicContact CG2-SD 4.15Å; V596-M612 VanDerWaalsContact CA-O 3.3Å; V596-M612 WeakPolarHBondContact CA-O 3.44Å
597	W	88.6	Confident	88.9	Confident	17 Å²	17	59 Å²	59	6%	0.064	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	-18.3	-175.7	62.5	-96.5	0	0	0	115	F2 Y547 M612 K614 Y634	F2-W597 HydrophobicContact CB-CB 3.63Å; F2-W597 HydrophobicContact CD1-CB 3.48Å; F2-W597 VanDerWaalsContact CD1-CB 3.48Å; F2-W597 AromaticContact CD1-CD1 3.81Å; F2-W597 AromaticContact CD1-CG 3.86Å; F2-W597 HydrophobicContact CD1-CG 3.86Å; F2-W597 HydrophobicContact CD2-CB 3.9Å; F2-W597 HydrophobicContact CE1-CB 4.08Å; F2-W597 AromaticContact CE1-CD1 3.9Å; F2-W597 HydrophobicContact CE1-CG 4.33Å; F2-W597 HydrophobicContact CE2-CB 4.47Å; F2-W597 HydrophobicContact CG-CB 3.38Å; F2-W597 HydrophobicContact CG-CG 4.24Å; Y547-W597 PolarHBondContact OH-O 3.3Å; W597-M612 HydrophobicContact CD2-CB 3.91Å; W597-M612 HydrophobicContact CE3-CB 4.48Å; W597-M612 HydrophobicContact CG-CB 4.36Å; W597-M612 HydrophobicContact CH2-CB 4.13Å; W597-M612 HydrophobicContact CH2-CE 4.32Å; W597-M612 HydrophobicContact CH2-CG 3.89Å; W597-M612 HydrophobicContact CZ2-CB 3.53Å; W597-M612 HydrophobicContact CZ2-CE 3.63Å; W597-M612 HydrophobicContact CZ2-CG 3.68Å; W597-M612 HydrophobicContact CZ3-CG 4.48Å; W597-M612 PolarHBondContact N-O 2.9Å; W597-M612 VanDerWaalsContact N-O 3.1Å; W597-K614 PolarHBondContact NE1-O 3.3Å; W597-Y634 HydrophobicContact CE3-CE1 4.47Å; W597-Y634 HydrophobicContact CH2-CD1 4.11Å; W597-Y634 HydrophobicContact CH2-CE1 4.31Å; W597-Y634 HydrophobicContact CH2-CG 4.25Å; W597-Y634 AromaticContact CZ3-CD1 3.57Å; W597-Y634 HydrophobicContact CZ3-CD1 3.57Å; W597-Y634 AromaticContact CZ3-CE1 3.69Å; W597-Y634 HydrophobicContact CZ3-CE1 3.69Å; W597-Y634 HydrophobicContact CZ3-CG 4.15Å
598	D	90.5	Very high	89.2	Confident	20 Å²	20	55 Å²	55	11%	0.107	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	151.4	174.1	-172.9	22.9	0	0	0	110.2	M611 M612 I635	D598-M611 CarbonylContact O-C 3.58Å; D598-M611 WeakPolarHBondContact O-CA 3.47Å; D598-M612 HydrophobicContact CB-CB 4.14Å; D598-M612 HydrophobicContact CB-CG 4.06Å; D598-M612 PolarHBondContact O-N 3.49Å; D598-I635 PolarHBondContact OD2-N 3.1Å
599	M	92.7	Very high	89.6	Confident	6 Å²	6	50.9 Å²	50.9	3%	0.03	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	135.4	-173.9	-178.8	-93.5	-166.1	0	0	111.2	A559 I561 L567 F569 W601 F609 A610 M611	A559-M599 HydrophobicContact CB-CE 3.07Å; A559-M599 HydrophobicContact CB-SD 3.48Å; A559-M599 WeakPolarHBondContact CB-SD 3.39Å; I561-M599 HydrophobicContact CD1-CB 4.04Å; L567-M599 HydrophobicContact CD1-CG 4.32Å; L567-M599 HydrophobicContact CD2-CG 4.24Å; F569-M599 HydrophobicContact CD1-CE 4.46Å; F569-M599 HydrophobicContact CE1-CE 3.36Å; F569-M599 HydrophobicContact CZ-CE 3.67Å; M599-W601 HydrophobicContact CE-CD2 4.13Å; M599-W601 HydrophobicContact CE-CH2 4.48Å; M599-W601 HydrophobicContact CE-CZ2 3.82Å; M599-F609 HydrophobicContact CE-CB 4.19Å; M599-F609 HydrophobicContact CE-CD2 4.02Å; M599-F609 HydrophobicContact CE-CG 4.15Å; M599-A610 CarbonylContact C-O 3.59Å; M599-A610 WeakPolarHBondContact CA-O 3.45Å; M599-M611 HydrophobicContact CB-CB 4.4Å; M599-M611 HydrophobicContact CG-CB 4.28Å
600	K	93.8	Very high	90	Very high	65 Å²	65	49.4 Å²	49.4	28%	0.283	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	129	179.6	-156.1	162.8	-160.3	142.2	0	112.3	F609 A610 I635 C636	K600-F609 WeakPolarHBondContact O-CA 3.3Å; K600-A610 PolarHBondContact N-O 3.25Å; K600-A610 PolarHBondContact O-N 2.97Å; K600-I635 HydrophobicContact CB-CB 4.39Å; K600-I635 HydrophobicContact CB-CG2 3.75Å; K600-I635 HydrophobicContact CD-CG2 3.86Å; K600-I635 HydrophobicContact CG-CG2 4.41Å; K600-C636 WeakPolarHBondContact CE-O 3.5Å; K600-C636 PolarHBondContact NZ-O 2.87Å
601	W	94.3	Very high	90.6	Very high	14 Å²	14	39.6 Å²	39.6	5%	0.053	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	149.7	169.4	-66	105.1	0	0	0	111.3	S550 N552 R557 A559 F569 M599 P606 F609	S550-W601 PolarHBondContact O-NE1 2.91Å; N552-W601 HydrophobicContact CB-CB 4.5Å; N552-W601 HydrophobicContact CB-CD2 3.54Å; N552-W601 HydrophobicContact CB-CE3 3.7Å; N552-W601 HydrophobicContact CB-CG 3.9Å; N552-W601 HydrophobicContact CB-CH2 4.36Å; N552-W601 HydrophobicContact CB-CZ2 4.18Å; N552-W601 HydrophobicContact CB-CZ3 4.13Å; R557-W601 HydrophobicContact CB-CH2 4.17Å; R557-W601 HydrophobicContact CB-CZ2 4.21Å; A559-W601 HydrophobicContact CB-CZ2 3.98Å; F569-W601 AromaticContact CD1-CH2 3.61Å; F569-W601 HydrophobicContact CD1-CH2 3.61Å; F569-W601 AromaticContact CD1-CZ2 3.6Å; F569-W601 HydrophobicContact CD1-CZ2 3.6Å; F569-W601 AromaticContact CE1-CH2 3.41Å; F569-W601 HydrophobicContact CE1-CH2 3.41Å; F569-W601 VanDerWaalsContact CE1-CH2 3.41Å; F569-W601 AromaticContact CE1-CZ2 3.43Å; F569-W601 HydrophobicContact CE1-CZ2 3.43Å; F569-W601 VanDerWaalsContact CE1-CZ2 3.43Å; F569-W601 HydrophobicContact CE1-CZ3 4.38Å; M599-W601 HydrophobicContact CE-CD2 4.13Å; M599-W601 HydrophobicContact CE-CH2 4.48Å; M599-W601 HydrophobicContact CE-CZ2 3.82Å; W601-P606 WeakPolarHBondContact CZ3-O 3.49Å; W601-F609 HydrophobicContact CD2-CB 4.09Å; W601-F609 HydrophobicContact CE3-CB 3.64Å; W601-F609 HydrophobicContact CE3-CD1 4.11Å; W601-F609 HydrophobicContact CE3-CG 4.24Å; W601-F609 HydrophobicContact CH2-CD1 4.11Å; W601-F609 HydrophobicContact CZ3-CB 4.03Å; W601-F609 AromaticContact CZ3-CD1 3.58Å; W601-F609 HydrophobicContact CZ3-CD1 3.58Å; W601-F609 HydrophobicContact CZ3-CE1 4.41Å; W601-F609 HydrophobicContact CZ3-CG 4.12Å
602	A	93.4	Very high	90.9	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.008	18%	0.175	C	C	.	.			trans	-67.9	138.9	166.1	0	0	0	0	0	110	D604 N605 L608 F638	A602-D604 VanDerWaalsContact C-N 3.32Å; A602-D604 WeakPolarHBondContact CB-OD1 3.47Å; A602-N605 HydrophobicContact CB-CB 4.41Å; A602-L608 HydrophobicContact CB-CB 3.68Å; A602-L608 WeakPolarHBondContact CB-O 3.37Å; A602-L608 PolarHBondContact N-O 3.49Å; A602-F638 WeakPolarHBondContact CA-O 3.24Å; A602-F638 HydrophobicContact CB-CD1 3.66Å; A602-F638 HydrophobicContact CB-CD2 4.29Å; A602-F638 HydrophobicContact CB-CE1 3.82Å; A602-F638 HydrophobicContact CB-CE2 4.42Å; A602-F638 HydrophobicContact CB-CG 3.9Å; A602-F638 HydrophobicContact CB-CZ 4.2Å
603	K	89.7	Confident	90.9	Very high	117 Å²	117	35.5 Å²	35.5	51%	0.509	16%	0.162	S	C	.	.	S	Bend	trans	-73.9	-26.3	-179.4	-75.7	179.9	172.1	166.8	0	113.3	C553 N637 F638	C553-K603 VanDerWaalsContact CB-O 3.28Å; C553-K603 WeakPolarHBondContact CB-O 3.44Å; K603-N637 WeakPolarHBondContact CD-OD1 3.1Å; K603-N637 WeakPolarHBondContact CE-OD1 3.31Å; K603-N637 PolarHBondContact NZ-OD1 3.38Å; K603-F638 PolarHBondContact N-O 3.38Å
604	D	89.3	Confident	90.7	Very high	58 Å²	58	36 Å²	36	31%	0.31	17%	0.166	S	C	.	.	S	Bend	trans	-101.2	-23.6	-173	53	-7.7	0	0	0	113.3	A602 D640 H695	A602-D604 VanDerWaalsContact C-N 3.32Å; A602-D604 WeakPolarHBondContact CB-OD1 3.47Å; D604-D640 WeakPolarHBondContact OD2-CA 3.34Å; D604-D640 PolarHBondContact OD2-N 3.31Å; D604-H695 IonicContact OD2-CE1 2.76Å; D604-H695 PolarHBondContact OD2-CE1 2.97Å; D604-H695 VanDerWaalsContact OD2-CE1 3.23Å; D604-H695 IonicContact OD2-NE2 3.51Å; D604-H695 PolarHBondContact OD2-NE2 3.48Å
605	N	88.8	Confident	90.4	Very high	44 Å²	44	29.7 Å²	29.7	24%	0.235	15%	0.146	C	C	.	.			trans	-131.3	122	-177.1	-169.7	-34.1	0	0	0	112.6	A602 D607 L608	A602-N605 HydrophobicContact CB-CB 4.41Å; N605-D607 PolarHBondContact O-N 3.02Å; N605-D607 PolarHBondContact OD1-N 3.21Å; N605-L608 HydrophobicContact CB-CB 4.16Å; N605-L608 HydrophobicContact CB-CD1 3.83Å; N605-L608 HydrophobicContact CB-CG 4.05Å; N605-L608 PolarHBondContact O-N 2.88Å
606	P	88.6	Confident	90.4	Very high	34 Å²	34	33.1 Å²	33.1	22%	0.221	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-15	-176.7	29.1	-36.1	0	0	0	114.6	N552 C553 N554 W601	N552-P606 PolarHBondContact ND2-O 3.33Å; C553-P606 VanDerWaalsContact SG-CA 3.52Å; C553-P606 VanDerWaalsContact SG-N 3.35Å; N554-P606 HydrophobicContact CB-CB 4.49Å; W601-P606 WeakPolarHBondContact CZ3-O 3.49Å
607	D	88.2	Confident	90.5	Very high	46 Å²	46	33.1 Å²	33.1	25%	0.246	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-6.7	-175.3	-66.8	-25.2	0	0	0	113.2	R557 N605 N622	R557-D607 IonicContact CZ-OD1 2.69Å; R557-D607 IonicContact NH1-OD1 3.82Å; R557-D607 PolarHBondContact NH1-OD1 3.32Å; R557-D607 IonicContact NH2-OD1 3.9Å; N605-D607 PolarHBondContact O-N 3.02Å; N605-D607 PolarHBondContact OD1-N 3.21Å; D607-N622 HydrophobicContact CB-CB 4.47Å; D607-N622 VanDerWaalsContact CB-CG 3.49Å; D607-N622 VanDerWaalsContact CB-OD1 3.27Å; D607-N622 WeakPolarHBondContact CB-OD1 3.35Å; D607-N622 PolarHBondContact O-N 3.09Å; D607-N622 PolarHBondContact OD1-OD1 3.1Å; D607-N622 PolarHBondContact OD2-ND2 2.99Å; D607-N622 PolarHBondContact OD2-OD1 3.11Å
608	L	91.3	Very high	90.6	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	132.1	178.6	-68.9	177	0	0	0	110.8	A602 N605 F620 R621 F638 L641	A602-L608 HydrophobicContact CB-CB 3.68Å; A602-L608 WeakPolarHBondContact CB-O 3.37Å; A602-L608 PolarHBondContact N-O 3.49Å; N605-L608 HydrophobicContact CB-CB 4.16Å; N605-L608 HydrophobicContact CB-CD1 3.83Å; N605-L608 HydrophobicContact CB-CG 4.05Å; N605-L608 PolarHBondContact O-N 2.88Å; L608-F620 WeakPolarHBondContact CA-O 3.45Å; L608-F620 WeakPolarHBondContact CD2-O 3.41Å; L608-R621 HydrophobicContact CD2-CB 3.82Å; L608-R621 HydrophobicContact CD2-CG 4.01Å; L608-F638 HydrophobicContact CB-CE1 3.87Å; L608-F638 HydrophobicContact CB-CZ 3.97Å; L608-F638 HydrophobicContact CD1-CZ 4.35Å; L608-L641 HydrophobicContact CD1-CD2 3.72Å
609	F	93.6	Very high	90.7	Very high	3 Å²	3	32.9 Å²	32.9	1%	0.013	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	157	169.8	64.9	-87.9	0	0	0	111.2	F569 L591 M599 K600 W601 F620	F569-F609 HydrophobicContact CE1-CD1 4.25Å; F569-F609 HydrophobicContact CE1-CD2 4.47Å; F569-F609 AromaticContact CE1-CE1 3.99Å; F569-F609 HydrophobicContact CE1-CE1 3.99Å; F569-F609 HydrophobicContact CE1-CE2 4.25Å; F569-F609 HydrophobicContact CE1-CG 4.47Å; F569-F609 AromaticContact CE1-CZ 3.99Å; F569-F609 HydrophobicContact CE1-CZ 3.99Å; F569-F609 HydrophobicContact CE2-CE1 4.45Å; F569-F609 HydrophobicContact CE2-CE2 4.11Å; F569-F609 AromaticContact CE2-CZ 3.77Å; F569-F609 HydrophobicContact CE2-CZ 3.77Å; F569-F609 HydrophobicContact CZ-CD1 4.26Å; F569-F609 AromaticContact CZ-CD2 3.94Å; F569-F609 HydrophobicContact CZ-CD2 3.94Å; F569-F609 AromaticContact CZ-CE1 3.73Å; F569-F609 HydrophobicContact CZ-CE1 3.73Å; F569-F609 AromaticContact CZ-CE2 3.38Å; F569-F609 HydrophobicContact CZ-CE2 3.38Å; F569-F609 HydrophobicContact CZ-CG 4.34Å; F569-F609 AromaticContact CZ-CZ 3.24Å; F569-F609 HydrophobicContact CZ-CZ 3.24Å; L591-F609 HydrophobicContact CD2-CZ 4.21Å; M599-F609 HydrophobicContact CE-CB 4.19Å; M599-F609 HydrophobicContact CE-CD2 4.02Å; M599-F609 HydrophobicContact CE-CG 4.15Å; K600-F609 WeakPolarHBondContact O-CA 3.3Å; W601-F609 HydrophobicContact CD2-CB 4.09Å; W601-F609 HydrophobicContact CE3-CB 3.64Å; W601-F609 HydrophobicContact CE3-CD1 4.11Å; W601-F609 HydrophobicContact CE3-CG 4.24Å; W601-F609 HydrophobicContact CH2-CD1 4.11Å; W601-F609 HydrophobicContact CZ3-CB 4.03Å; W601-F609 AromaticContact CZ3-CD1 3.58Å; W601-F609 HydrophobicContact CZ3-CD1 3.58Å; W601-F609 HydrophobicContact CZ3-CE1 4.41Å; W601-F609 HydrophobicContact CZ3-CG 4.12Å; F609-F620 HydrophobicContact CD1-CB 3.87Å; F609-F620 HydrophobicContact CD2-CB 4.11Å; F609-F620 HydrophobicContact CD2-CD2 4.15Å; F609-F620 HydrophobicContact CD2-CG 4.43Å; F609-F620 HydrophobicContact CE1-CB 3.37Å; F609-F620 HydrophobicContact CE1-CG 4.01Å; F609-F620 HydrophobicContact CE2-CB 3.61Å; F609-F620 HydrophobicContact CE2-CD1 4.43Å; F609-F620 AromaticContact CE2-CD2 3.35Å; F609-F620 HydrophobicContact CE2-CD2 3.35Å; F609-F620 HydrophobicContact CE2-CE2 4.06Å; F609-F620 AromaticContact CE2-CG 3.56Å; F609-F620 HydrophobicContact CE2-CG 3.56Å; F609-F620 HydrophobicContact CG-CB 4.23Å; F609-F620 HydrophobicContact CZ-CB 3.22Å; F609-F620 AromaticContact CZ-CD1 3.89Å; F609-F620 HydrophobicContact CZ-CD1 3.89Å; F609-F620 AromaticContact CZ-CD2 3.65Å; F609-F620 HydrophobicContact CZ-CD2 3.65Å; F609-F620 HydrophobicContact CZ-CE2 4.41Å; F609-F620 AromaticContact CZ-CG 3.32Å; F609-F620 HydrophobicContact CZ-CG 3.32Å; F609-F620 PolarHBondContact N-O 3.33Å; F609-F620 PolarHBondContact O-N 3.48Å
610	A	94.4	Very high	90.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	140.7	171.6	0	0	0	0	0	109.2	M599 K600 Y618 I635 F638 I643	M599-A610 CarbonylContact C-O 3.59Å; M599-A610 WeakPolarHBondContact CA-O 3.45Å; K600-A610 PolarHBondContact N-O 3.25Å; K600-A610 PolarHBondContact O-N 2.97Å; A610-Y618 CarbonylContact C-O 3.53Å; A610-Y618 WeakPolarHBondContact CA-O 3.28Å; A610-I635 HydrophobicContact CB-CD1 3.95Å; A610-F638 HydrophobicContact CB-CD1 4.21Å; A610-F638 HydrophobicContact CB-CE1 4.48Å; A610-I643 HydrophobicContact CB-CD1 3.69Å; A610-I643 HydrophobicContact CB-CG1 4.36Å
611	M	93.4	Very high	90.3	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	151	175.5	69.1	169.9	-147.1	0	0	111	L567 R593 V596 D598 M599 E613 M617 Y618 F620	L567-M611 HydrophobicContact CD2-CB 4.23Å; L567-M611 HydrophobicContact CD2-SD 3.72Å; R593-M611 HydrophobicContact CB-CE 4.01Å; R593-M611 HydrophobicContact CB-SD 4.13Å; R593-M611 HydrophobicContact CG-CE 3.71Å; R593-M611 HydrophobicContact CG-SD 3.94Å; V596-M611 HydrophobicContact CG1-CB 4.3Å; V596-M611 HydrophobicContact CG2-CE 4.35Å; V596-M611 HydrophobicContact CG2-SD 4.15Å; D598-M611 CarbonylContact O-C 3.58Å; D598-M611 WeakPolarHBondContact O-CA 3.47Å; M599-M611 HydrophobicContact CB-CB 4.4Å; M599-M611 HydrophobicContact CG-CB 4.28Å; M611-E613 HydrophobicContact CE-CB 4.2Å; M611-E613 WeakPolarHBondContact CE-OE2 3.26Å; M611-M617 CarbonylContact O-C 3.51Å; M611-M617 WeakPolarHBondContact O-CA 3.16Å; M611-Y618 HydrophobicContact CE-CD2 3.88Å; M611-Y618 HydrophobicContact CE-CG 4.01Å; M611-Y618 PolarHBondContact N-O 2.97Å; M611-Y618 PolarHBondContact O-N 3.38Å; M611-F620 HydrophobicContact CE-CE2 3.67Å; M611-F620 HydrophobicContact CE-CZ 4.03Å; M611-F620 HydrophobicContact CG-CD2 4.27Å; M611-F620 HydrophobicContact CG-CE2 3.84Å; M611-F620 HydrophobicContact SD-CD2 4.39Å; M611-F620 HydrophobicContact SD-CE2 3.58Å; M611-F620 VanDerWaalsContact SD-CE2 3.58Å; M611-F620 HydrophobicContact SD-CZ 4.21Å
612	M	91.3	Very high	89.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	114.9	175.4	-64.8	-55.8	-66.5	0	0	110.3	V596 W597 D598 M617 T631 I635	V596-M612 VanDerWaalsContact CA-O 3.3Å; V596-M612 WeakPolarHBondContact CA-O 3.44Å; W597-M612 HydrophobicContact CD2-CB 3.91Å; W597-M612 HydrophobicContact CE3-CB 4.48Å; W597-M612 HydrophobicContact CG-CB 4.36Å; W597-M612 HydrophobicContact CH2-CB 4.13Å; W597-M612 HydrophobicContact CH2-CE 4.32Å; W597-M612 HydrophobicContact CH2-CG 3.89Å; W597-M612 HydrophobicContact CZ2-CB 3.53Å; W597-M612 HydrophobicContact CZ2-CE 3.63Å; W597-M612 HydrophobicContact CZ2-CG 3.68Å; W597-M612 HydrophobicContact CZ3-CG 4.48Å; W597-M612 PolarHBondContact N-O 2.9Å; W597-M612 VanDerWaalsContact N-O 3.1Å; D598-M612 HydrophobicContact CB-CB 4.14Å; D598-M612 HydrophobicContact CB-CG 4.06Å; D598-M612 PolarHBondContact O-N 3.49Å; M612-M617 HydrophobicContact CE-CB 4.32Å; M612-M617 HydrophobicContact SD-CB 3.5Å; M612-M617 VanDerWaalsContact SD-CB 3.5Å; M612-M617 HydrophobicContact SD-CG 3.69Å; M612-M617 HydrophobicContact SD-SD 4.31Å; M612-T631 HydrophobicContact CE-CG2 3.93Å; M612-T631 VanDerWaalsContact CE-O 3.28Å; M612-T631 WeakPolarHBondContact CE-O 3.03Å; M612-T631 HydrophobicContact SD-CG2 4.39Å; M612-I635 HydrophobicContact CG-CD1 3.74Å; M612-I635 HydrophobicContact CG-CG1 3.96Å; M612-I635 HydrophobicContact SD-CD1 4.11Å; M612-I635 HydrophobicContact SD-CG1 4.21Å
613	E	89.7	Confident	88.8	Confident	41 Å²	41	38.8 Å²	38.8	19%	0.192	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114.3	173.9	-176.2	-175.9	144.7	0	0	108.6	R593 R594 D595 M611 T615 R616 Y618	R593-E613 IonicContact NE-OE2 2.83Å; R594-E613 WeakPolarHBondContact O-CG 3.36Å; D595-E613 WeakPolarHBondContact O-CA 3.38Å; M611-E613 HydrophobicContact CE-CB 4.2Å; M611-E613 WeakPolarHBondContact CE-OE2 3.26Å; E613-T615 PolarHBondContact O-N 3.43Å; E613-R616 PolarHBondContact N-O 3.4Å; E613-R616 PolarHBondContact O-N 3.17Å; E613-Y618 HydrophobicContact CB-CD2 4.03Å; E613-Y618 HydrophobicContact CB-CE2 3.95Å
614	K	85.2	Confident	88.6	Confident	75 Å²	75	38.9 Å²	38.9	33%	0.326	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-101.3	-172.6	-61.3	173	177.1	149.3	0	112.1	Y4 D595 W597	Y4-K614 HydrophobicContact CD2-CB 3.87Å; Y4-K614 HydrophobicContact CD2-CD 4.36Å; Y4-K614 HydrophobicContact CD2-CG 3.72Å; Y4-K614 HydrophobicContact CE2-CB 3.73Å; Y4-K614 HydrophobicContact CE2-CG 4.13Å; Y4-K614 HydrophobicContact CG-CG 4.29Å; D595-K614 HydrophobicContact CB-CG 3.95Å; D595-K614 PolarHBondContact O-N 2.98Å; D595-K614 WeakPolarHBondContact OD2-CE 3.2Å; D595-K614 IonicContact OD2-NZ 2.61Å; D595-K614 PolarHBondContact OD2-NZ 3.1Å; W597-K614 PolarHBondContact NE1-O 3.3Å
615	T	83.8	Confident	88.5	Confident	27 Å²	27	39.3 Å²	39.3	17%	0.166	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	22.6	-177.8	55.9	0	0	0	0	112.9	Y4 A56 E613 T631	Y4-T615 HydrophobicContact CE2-CG2 4.13Å; Y4-T615 WeakPolarHBondContact OH-CG2 3.45Å; A56-T615 HydrophobicContact CB-CG2 3.62Å; E613-T615 PolarHBondContact O-N 3.43Å; T615-T631 CarbonylContact C-O 3.56Å; T615-T631 PolarHBondContact O-N 2.93Å
616	R	88.1	Confident	88.4	Confident	126 Å²	126	38.7 Å²	38.7	48%	0.475	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	133	-179	-67.1	178.7	178.3	175.8	-2	109.9	E613 Y618 P628 I629	E613-R616 PolarHBondContact N-O 3.4Å; E613-R616 PolarHBondContact O-N 3.17Å; R616-Y618 HydrophobicContact CB-CD2 4.31Å; R616-Y618 HydrophobicContact CB-CE2 3.72Å; R616-P628 HydrophobicContact CB-CB 4.26Å; R616-I629 CarbonylContact C-O 3.58Å; R616-I629 WeakPolarHBondContact CA-O 3.46Å
617	M	91.2	Very high	88.2	Confident	1 Å²	1	43.8 Å²	43.8	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	126	169	-171.8	173.7	64.4	0	0	108.9	M611 M612 P628 I629 T631 I635 I643 F666	M611-M617 CarbonylContact O-C 3.51Å; M611-M617 WeakPolarHBondContact O-CA 3.16Å; M612-M617 HydrophobicContact CE-CB 4.32Å; M612-M617 HydrophobicContact SD-CB 3.5Å; M612-M617 VanDerWaalsContact SD-CB 3.5Å; M612-M617 HydrophobicContact SD-CG 3.69Å; M612-M617 HydrophobicContact SD-SD 4.31Å; M617-P628 WeakPolarHBondContact O-CA 3.35Å; M617-I629 HydrophobicContact CB-CB 4.42Å; M617-I629 HydrophobicContact CE-CB 4.17Å; M617-I629 HydrophobicContact CE-CD1 3.69Å; M617-I629 HydrophobicContact CE-CG2 4.38Å; M617-I629 PolarHBondContact N-O 2.94Å; M617-I629 PolarHBondContact O-N 2.98Å; M617-T631 HydrophobicContact CB-CG2 3.66Å; M617-I635 HydrophobicContact SD-CD1 4.48Å; M617-I643 HydrophobicContact CE-CB 4.47Å; M617-I643 HydrophobicContact CE-CD1 3.95Å; M617-I643 HydrophobicContact CE-CG2 4.36Å; M617-I643 HydrophobicContact SD-CB 4.49Å; M617-I643 HydrophobicContact SD-CD1 4.06Å; M617-I643 HydrophobicContact SD-CG2 3.8Å; M617-F666 HydrophobicContact CE-CB 3.85Å; M617-F666 HydrophobicContact CE-CD1 4.48Å; M617-F666 HydrophobicContact CE-CD2 3.54Å; M617-F666 HydrophobicContact CE-CE2 4.14Å; M617-F666 HydrophobicContact CE-CG 3.72Å; M617-F666 HydrophobicContact SD-CD2 4.4Å
618	Y	92.1	Very high	88.2	Confident	29 Å²	29	44.4 Å²	44.4	11%	0.114	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.5	171.9	-70.1	-95.6	0	0	0	108.8	A610 M611 E613 R616 F620 P625 P628	A610-Y618 CarbonylContact C-O 3.53Å; A610-Y618 WeakPolarHBondContact CA-O 3.28Å; M611-Y618 HydrophobicContact CE-CD2 3.88Å; M611-Y618 HydrophobicContact CE-CG 4.01Å; M611-Y618 PolarHBondContact N-O 2.97Å; M611-Y618 PolarHBondContact O-N 3.38Å; E613-Y618 HydrophobicContact CB-CD2 4.03Å; E613-Y618 HydrophobicContact CB-CE2 3.95Å; R616-Y618 HydrophobicContact CB-CD2 4.31Å; R616-Y618 HydrophobicContact CB-CE2 3.72Å; Y618-F620 HydrophobicContact CG-CE2 4.44Å; Y618-P625 HydrophobicContact CD1-CB 4.41Å; Y618-P628 HydrophobicContact CD1-CB 3.97Å; Y618-P628 HydrophobicContact CE1-CB 3.57Å; Y618-P628 HydrophobicContact CE1-CG 3.93Å; Y618-P628 HydrophobicContact CE2-CB 4.18Å; Y618-P628 HydrophobicContact CG-CB 4.44Å
619	V	92.3	Very high	88	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.1	170.4	-174.4	0	0	0	0	107.5	E626 F638 I643 I668	V619-E626 HydrophobicContact CB-CB 4.34Å; V619-E626 HydrophobicContact CB-CG 4.48Å; V619-E626 WeakPolarHBondContact O-CB 3.48Å; V619-E626 PolarHBondContact O-N 2.83Å; V619-F638 HydrophobicContact CG1-CE1 4.37Å; V619-F638 HydrophobicContact CG1-CZ 4.15Å; V619-I643 HydrophobicContact CG2-CD1 3.38Å; V619-I668 HydrophobicContact CG1-CG2 3.99Å; V619-I668 HydrophobicContact CG2-CG2 4.35Å
620	F	90.6	Very high	87.5	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	145.9	179.6	-77.7	-99.9	0	0	0	111.2	L591 L608 F609 M611 Y618 L623 D624 P625	L591-F620 HydrophobicContact CD1-CE1 4.42Å; L591-F620 HydrophobicContact CD2-CD1 4.26Å; L591-F620 HydrophobicContact CD2-CE1 3.95Å; L608-F620 WeakPolarHBondContact CA-O 3.45Å; L608-F620 WeakPolarHBondContact CD2-O 3.41Å; F609-F620 HydrophobicContact CD1-CB 3.87Å; F609-F620 HydrophobicContact CD2-CB 4.11Å; F609-F620 HydrophobicContact CD2-CD2 4.15Å; F609-F620 HydrophobicContact CD2-CG 4.43Å; F609-F620 HydrophobicContact CE1-CB 3.37Å; F609-F620 HydrophobicContact CE1-CG 4.01Å; F609-F620 HydrophobicContact CE2-CB 3.61Å; F609-F620 HydrophobicContact CE2-CD1 4.43Å; F609-F620 AromaticContact CE2-CD2 3.35Å; F609-F620 HydrophobicContact CE2-CD2 3.35Å; F609-F620 HydrophobicContact CE2-CE2 4.06Å; F609-F620 AromaticContact CE2-CG 3.56Å; F609-F620 HydrophobicContact CE2-CG 3.56Å; F609-F620 HydrophobicContact CG-CB 4.23Å; F609-F620 HydrophobicContact CZ-CB 3.22Å; F609-F620 AromaticContact CZ-CD1 3.89Å; F609-F620 HydrophobicContact CZ-CD1 3.89Å; F609-F620 AromaticContact CZ-CD2 3.65Å; F609-F620 HydrophobicContact CZ-CD2 3.65Å; F609-F620 HydrophobicContact CZ-CE2 4.41Å; F609-F620 AromaticContact CZ-CG 3.32Å; F609-F620 HydrophobicContact CZ-CG 3.32Å; F609-F620 PolarHBondContact N-O 3.33Å; F609-F620 PolarHBondContact O-N 3.48Å; M611-F620 HydrophobicContact CE-CE2 3.67Å; M611-F620 HydrophobicContact CE-CZ 4.03Å; M611-F620 HydrophobicContact CG-CD2 4.27Å; M611-F620 HydrophobicContact CG-CE2 3.84Å; M611-F620 HydrophobicContact SD-CD2 4.39Å; M611-F620 HydrophobicContact SD-CE2 3.58Å; M611-F620 VanDerWaalsContact SD-CE2 3.58Å; M611-F620 HydrophobicContact SD-CZ 4.21Å; Y618-F620 HydrophobicContact CG-CE2 4.44Å; F620-L623 WeakPolarHBondContact CD1-O 3.13Å; F620-L623 WeakPolarHBondContact CE1-O 3.25Å; F620-D624 VanDerWaalsContact CA-O 3.3Å; F620-D624 WeakPolarHBondContact CA-O 3.38Å; F620-P625 HydrophobicContact CD1-CB 4Å; F620-P625 HydrophobicContact CE1-CB 3.55Å; F620-P625 HydrophobicContact CE1-CG 4.01Å; F620-P625 HydrophobicContact CE2-CB 4.31Å; F620-P625 HydrophobicContact CZ-CB 3.74Å; F620-P625 HydrophobicContact CZ-CG 4.47Å
621	R	86.4	Confident	87	Confident	79 Å²	79	50.4 Å²	50.4	30%	0.298	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	112.9	166.8	-177.8	-178.6	-64.6	-170.8	-0.1	108.4	L608 L623 D624 S670 N693	L608-R621 HydrophobicContact CD2-CB 3.82Å; L608-R621 HydrophobicContact CD2-CG 4.01Å; R621-L623 PolarHBondContact O-N 2.92Å; R621-L623 VanDerWaalsContact O-N 3.15Å; R621-D624 PolarHBondContact N-O 3.35Å; R621-D624 PolarHBondContact O-N 3.12Å; R621-S670 PolarHBondContact NH2-OG 2.93Å; R621-N693 PolarHBondContact NH1-OD1 3.48Å
622	N	77.7	Confident	86.5	Confident	73 Å²	73	51.2 Å²	51.2	39%	0.39	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	41	178.5	-90.9	-34.8	0	0	0	114.4	R557 D607 D624	R557-N622 PolarHBondContact NH1-OD1 3.4Å; D607-N622 HydrophobicContact CB-CB 4.47Å; D607-N622 VanDerWaalsContact CB-CG 3.49Å; D607-N622 VanDerWaalsContact CB-OD1 3.27Å; D607-N622 WeakPolarHBondContact CB-OD1 3.35Å; D607-N622 PolarHBondContact O-N 3.09Å; D607-N622 PolarHBondContact OD1-OD1 3.1Å; D607-N622 PolarHBondContact OD2-ND2 2.99Å; D607-N622 PolarHBondContact OD2-OD1 3.11Å; N622-D624 VanDerWaalsContact C-N 3.35Å
623	L	79.6	Confident	86.3	Confident	57 Å²	57	51.2 Å²	51.2	30%	0.298	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	81	-4.3	-178.4	-45.2	173.4	0	0	0	116.2	L589 L591 F620 R621	L589-L623 HydrophobicContact CD1-CD1 4.47Å; L589-L623 HydrophobicContact CD1-CD2 4.39Å; L591-L623 HydrophobicContact CB-CD2 3.98Å; L591-L623 HydrophobicContact CD2-CB 4.1Å; L591-L623 HydrophobicContact CD2-CD2 3.54Å; L591-L623 HydrophobicContact CD2-CG 4.41Å; L591-L623 HydrophobicContact CG-CD2 4.4Å; F620-L623 WeakPolarHBondContact CD1-O 3.13Å; F620-L623 WeakPolarHBondContact CE1-O 3.25Å; R621-L623 PolarHBondContact O-N 2.92Å; R621-L623 VanDerWaalsContact O-N 3.15Å
624	D	84.5	Confident	86.3	Confident	120 Å²	120	49.9 Å²	49.9	64%	0.642	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.1	172.1	-67.3	-47.3	0	0	0	111	F620 R621 N622	F620-D624 VanDerWaalsContact CA-O 3.3Å; F620-D624 WeakPolarHBondContact CA-O 3.38Å; R621-D624 PolarHBondContact N-O 3.35Å; R621-D624 PolarHBondContact O-N 3.12Å; N622-D624 VanDerWaalsContact C-N 3.35Å
625	P	87.7	Confident	86.7	Confident	66 Å²	66	46.4 Å²	46.4	43%	0.429	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	136.5	178.1	28	-30.9	0	0	0	112	Y618 F620	Y618-P625 HydrophobicContact CD1-CB 4.41Å; F620-P625 HydrophobicContact CD1-CB 4Å; F620-P625 HydrophobicContact CE1-CB 3.55Å; F620-P625 HydrophobicContact CE1-CG 4.01Å; F620-P625 HydrophobicContact CE2-CB 4.31Å; F620-P625 HydrophobicContact CZ-CB 3.74Å; F620-P625 HydrophobicContact CZ-CG 4.47Å
626	E	87.5	Confident	87.1	Confident	31 Å²	31	45.2 Å²	45.2	15%	0.145	22%	0.222	C	C	.	.			trans	-79.1	174.7	163.6	-63.1	-168.3	179.9	0	0	111.5	V619 R669	V619-E626 HydrophobicContact CB-CB 4.34Å; V619-E626 HydrophobicContact CB-CG 4.48Å; V619-E626 WeakPolarHBondContact O-CB 3.48Å; V619-E626 PolarHBondContact O-N 2.83Å; E626-R669 WeakPolarHBondContact OE2-CB 3.21Å; E626-R669 PolarHBondContact OE2-N 2.87Å; E626-R669 VanDerWaalsContact OE2-N 3.14Å
627	E	83.4	Confident	87.3	Confident	141 Å²	141	40.1 Å²	40.1	66%	0.659	21%	0.205	S	C	*	.	P	Polyproline II helix	trans	-58.9	128.5	175.7	-68.7	179.8	176.8	0	0	110.7	I629	E627-I629 PolarHBondContact O-N 2.82Å
628	P	87.8	Confident	87.3	Confident	59 Å²	59	40 Å²	40	38%	0.383	20%	0.204	S	C	.	.	P	Polyproline II helix	trans	-67.8	137.1	-176.7	24.1	-31.4	0	0	0	111.7	R616 M617 Y618	R616-P628 HydrophobicContact CB-CB 4.26Å; M617-P628 WeakPolarHBondContact O-CA 3.35Å; Y618-P628 HydrophobicContact CD1-CB 3.97Å; Y618-P628 HydrophobicContact CE1-CB 3.57Å; Y618-P628 HydrophobicContact CE1-CG 3.93Å; Y618-P628 HydrophobicContact CE2-CB 4.18Å; Y618-P628 HydrophobicContact CG-CB 4.44Å
629	I	87.2	Confident	87.3	Confident	32 Å²	32	42.5 Å²	42.5	16%	0.164	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	121.3	173.9	-61.7	165.8	0	0	0	107.5	R616 M617 E627 T631 F666	R616-I629 CarbonylContact C-O 3.58Å; R616-I629 WeakPolarHBondContact CA-O 3.46Å; M617-I629 HydrophobicContact CB-CB 4.42Å; M617-I629 HydrophobicContact CE-CB 4.17Å; M617-I629 HydrophobicContact CE-CD1 3.69Å; M617-I629 HydrophobicContact CE-CG2 4.38Å; M617-I629 PolarHBondContact N-O 2.94Å; M617-I629 PolarHBondContact O-N 2.98Å; E627-I629 PolarHBondContact O-N 2.82Å; I629-T631 HydrophobicContact CG2-CG2 4.49Å; I629-T631 PolarHBondContact O-N 3.41Å; I629-F666 HydrophobicContact CD1-CB 4.27Å; I629-F666 HydrophobicContact CD1-CD1 4.43Å; I629-F666 HydrophobicContact CG2-CD1 3.76Å; I629-F666 HydrophobicContact CG2-CE1 3.61Å; I629-F666 HydrophobicContact CG2-CG 4.49Å; I629-F666 HydrophobicContact CG2-CZ 4.23Å
630	Q	84.4	Confident	87.1	Confident	97 Å²	97	45.6 Å²	45.6	45%	0.453	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	118	174.9	-171.1	173.7	1.7	0	0	108.5	L55	L55-Q630 HydrophobicContact CD2-CB 3.54Å; L55-Q630 HydrophobicContact CD2-CG 3.66Å; L55-Q630 WeakPolarHBondContact CD2-O 3.37Å
631	T	84	Confident	87.1	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.006	23%	0.234	C	C	.	.			trans	-164.7	153.6	177	-175.5	0	0	0	0	110.5	G54 M612 T615 M617 I629 G633 F666	G54-T631 CarbonylContact O-C 3.58Å; G54-T631 VanDerWaalsContact O-CA 3.26Å; G54-T631 WeakPolarHBondContact O-CA 3.49Å; G54-T631 PolarHBondContact O-OG1 2.69Å; M612-T631 HydrophobicContact CE-CG2 3.93Å; M612-T631 VanDerWaalsContact CE-O 3.28Å; M612-T631 WeakPolarHBondContact CE-O 3.03Å; M612-T631 HydrophobicContact SD-CG2 4.39Å; T615-T631 CarbonylContact C-O 3.56Å; T615-T631 PolarHBondContact O-N 2.93Å; M617-T631 HydrophobicContact CB-CG2 3.66Å; I629-T631 HydrophobicContact CG2-CG2 4.49Å; I629-T631 PolarHBondContact O-N 3.41Å; T631-G633 PolarHBondContact OG1-N 2.83Å; T631-F666 HydrophobicContact CG2-CE2 4.06Å; T631-F666 HydrophobicContact CG2-CZ 4.01Å
632	S	81.7	Confident	87.3	Confident	17 Å²	17	44.3 Å²	44.3	12%	0.119	23%	0.231	C	C	.	.			trans	-114.2	14.8	170.5	56.5	0	0	0	0	113.5	G54	G54-S632 PolarHBondContact O-N 3.38Å; G54-S632 PolarHBondContact O-OG 3.09Å
633	G	87	Confident	88	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.			trans	-71.8	146.6	177.7	0	0	0	0	0	113	T631 V646	T631-G633 PolarHBondContact OG1-N 2.83Å; G633-V646 WeakPolarHBondContact CA-O 3.33Å
634	Y	90.6	Very high	88.6	Confident	13 Å²	13	40.1 Å²	40.1	5%	0.051	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	138.8	171.4	-67.5	-103.1	0	0	0	109.5	P333 Y335 W337 W597 C636 S645 V646 L648	P333-Y634 PolarHBondContact O-OH 3Å; Y335-Y634 HydrophobicContact CD2-CE1 4.5Å; Y335-Y634 HydrophobicContact CD2-CE2 4.32Å; Y335-Y634 AromaticContact CD2-CZ 3.95Å; Y335-Y634 HydrophobicContact CE2-CE2 4.14Å; Y335-Y634 AromaticContact CE2-CZ 3.94Å; Y335-Y634 WeakPolarHBondContact CE2-OH 3.33Å; W337-Y634 HydrophobicContact CZ2-CD1 4.29Å; W337-Y634 HydrophobicContact CZ2-CG 4.26Å; W337-Y634 AromaticContact NE1-CD1 3.98Å; W597-Y634 HydrophobicContact CE3-CE1 4.47Å; W597-Y634 HydrophobicContact CH2-CD1 4.11Å; W597-Y634 HydrophobicContact CH2-CE1 4.31Å; W597-Y634 HydrophobicContact CH2-CG 4.25Å; W597-Y634 AromaticContact CZ3-CD1 3.57Å; W597-Y634 HydrophobicContact CZ3-CD1 3.57Å; W597-Y634 AromaticContact CZ3-CE1 3.69Å; W597-Y634 HydrophobicContact CZ3-CE1 3.69Å; W597-Y634 HydrophobicContact CZ3-CG 4.15Å; Y634-C636 PolarHBondContact O-N 2.88Å; Y634-S645 CarbonylContact O-C 3.55Å; Y634-S645 WeakPolarHBondContact O-CA 3.14Å; Y634-S645 WeakPolarHBondContact O-CB 3.47Å; Y634-V646 PolarHBondContact N-O 3.45Å; Y634-V646 PolarHBondContact O-N 2.77Å; Y634-L648 HydrophobicContact CD1-CD1 3.93Å; Y634-L648 HydrophobicContact CD2-CB 3.84Å; Y634-L648 HydrophobicContact CD2-CD1 3.61Å; Y634-L648 HydrophobicContact CD2-CG 3.78Å; Y634-L648 HydrophobicContact CE1-CD1 4.29Å; Y634-L648 HydrophobicContact CE2-CB 3.84Å; Y634-L648 HydrophobicContact CE2-CD1 3.99Å; Y634-L648 HydrophobicContact CE2-CG 4.23Å; Y634-L648 HydrophobicContact CG-CD1 3.59Å; Y634-L648 HydrophobicContact CG-CG 4.17Å
635	I	93.1	Very high	89	Confident	3 Å²	3	34.5 Å²	34.5	2%	0.015	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	109.9	-171.1	-55.8	175	0	0	0	110.8	D598 K600 A610 M612 M617 I643	D598-I635 PolarHBondContact OD2-N 3.1Å; K600-I635 HydrophobicContact CB-CB 4.39Å; K600-I635 HydrophobicContact CB-CG2 3.75Å; K600-I635 HydrophobicContact CD-CG2 3.86Å; K600-I635 HydrophobicContact CG-CG2 4.41Å; A610-I635 HydrophobicContact CB-CD1 3.95Å; M612-I635 HydrophobicContact CG-CD1 3.74Å; M612-I635 HydrophobicContact CG-CG1 3.96Å; M612-I635 HydrophobicContact SD-CD1 4.11Å; M612-I635 HydrophobicContact SD-CG1 4.21Å; M617-I635 HydrophobicContact SD-CD1 4.48Å; I635-I643 HydrophobicContact CG2-CG2 3.95Å
636	C	91.4	Very high	89.2	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.007	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-50.7	-179.7	-62.5	0	0	0	0	112.8	Y339 K600 Y634 K644 V646	Y339-C636 HydrophobicContact CD1-CB 3.9Å; Y339-C636 HydrophobicContact CD2-CB 4.18Å; Y339-C636 HydrophobicContact CE1-CB 4.37Å; Y339-C636 HydrophobicContact CG-CB 3.79Å; K600-C636 WeakPolarHBondContact CE-O 3.5Å; K600-C636 PolarHBondContact NZ-O 2.87Å; Y634-C636 PolarHBondContact O-N 2.88Å; C636-K644 WeakPolarHBondContact CA-O 3.38Å; C636-K644 HydrophobicContact CB-CB 4.31Å; C636-K644 HydrophobicContact CB-CG 4.2Å; C636-K644 VanDerWaalsContact CB-O 3.26Å; C636-K644 WeakPolarHBondContact CB-O 3.39Å; C636-K644 PolarHBondContact N-O 2.92Å; C636-V646 VanDerWaalsContact SG-CB 3.54Å; C636-V646 WeakPolarHBondContact SG-CG1 3.41Å
637	N	92.4	Very high	89.4	Confident	19 Å²	19	30.1 Å²	30.1	10%	0.102	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.6	146.1	-174.5	-165.2	51.1	0	0	0	110.2	Y339 K603 E639 I643 K644	Y339-N637 HydrophobicContact CD1-CB 4.25Å; Y339-N637 HydrophobicContact CE1-CB 3.96Å; K603-N637 WeakPolarHBondContact CD-OD1 3.1Å; K603-N637 WeakPolarHBondContact CE-OD1 3.31Å; K603-N637 PolarHBondContact NZ-OD1 3.38Å; N637-E639 WeakPolarHBondContact ND2-CB 3.35Å; N637-E639 PolarHBondContact ND2-OE2 3.11Å; N637-I643 WeakPolarHBondContact O-CA 3.36Å; N637-K644 HydrophobicContact CB-CB 4.41Å; N637-K644 PolarHBondContact N-O 2.82Å; N637-K644 PolarHBondContact O-N 3.35Å
638	F	92.6	Very high	89.6	Confident	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	110.3	168.3	-174.8	-169.2	0	0	0	108.5	A602 K603 L608 A610 V619 E642 I643 I668	A602-F638 WeakPolarHBondContact CA-O 3.24Å; A602-F638 HydrophobicContact CB-CD1 3.66Å; A602-F638 HydrophobicContact CB-CD2 4.29Å; A602-F638 HydrophobicContact CB-CE1 3.82Å; A602-F638 HydrophobicContact CB-CE2 4.42Å; A602-F638 HydrophobicContact CB-CG 3.9Å; A602-F638 HydrophobicContact CB-CZ 4.2Å; K603-F638 PolarHBondContact N-O 3.38Å; L608-F638 HydrophobicContact CB-CE1 3.87Å; L608-F638 HydrophobicContact CB-CZ 3.97Å; L608-F638 HydrophobicContact CD1-CZ 4.35Å; A610-F638 HydrophobicContact CB-CD1 4.21Å; A610-F638 HydrophobicContact CB-CE1 4.48Å; V619-F638 HydrophobicContact CG1-CE1 4.37Å; V619-F638 HydrophobicContact CG1-CZ 4.15Å; F638-E642 WeakPolarHBondContact CD2-O 3.25Å; F638-I643 HydrophobicContact CB-CG1 4.35Å; F638-I643 HydrophobicContact CD1-CG1 4.32Å; F638-I643 HydrophobicContact CD2-CD1 4.47Å; F638-I643 HydrophobicContact CD2-CG1 3.53Å; F638-I643 HydrophobicContact CE2-CD1 4.38Å; F638-I643 HydrophobicContact CE2-CG1 3.8Å; F638-I643 HydrophobicContact CG-CG1 3.83Å; F638-I643 HydrophobicContact CZ-CD1 4.45Å; F638-I643 HydrophobicContact CZ-CG1 4.3Å; F638-I668 HydrophobicContact CE2-CG2 4Å; F638-I668 HydrophobicContact CZ-CG2 4.12Å
639	E	91.1	Very high	89.5	Confident	80 Å²	80	21.6 Å²	21.6	37%	0.374	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	150.2	-174.9	-174.3	170.4	-167.6	0	0	108.6	N637 L641 E642	N637-E639 WeakPolarHBondContact ND2-CB 3.35Å; N637-E639 PolarHBondContact ND2-OE2 3.11Å; E639-L641 PolarHBondContact O-N 3.34Å; E639-L641 VanDerWaalsContact O-N 3.17Å; E639-E642 PolarHBondContact N-O 3.5Å; E639-E642 PolarHBondContact O-N 3.25Å
640	D	88.5	Confident	89.4	Confident	68 Å²	68	23.1 Å²	23.1	36%	0.364	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	34.4	177.2	-78.8	-31.9	0	0	0	113.3	D604 E642 R697	D604-D640 WeakPolarHBondContact OD2-CA 3.34Å; D604-D640 PolarHBondContact OD2-N 3.31Å; D640-E642 PolarHBondContact O-N 3.28Å; D640-E642 VanDerWaalsContact O-N 3.16Å; D640-R697 HydrophobicContact CB-CB 4.21Å; D640-R697 HydrophobicContact CB-CG 4.2Å; D640-R697 VanDerWaalsContact O-CG 3.31Å; D640-R697 WeakPolarHBondContact O-CG 3.48Å
641	L	90	Very high	89.6	Confident	3 Å²	3	18.5 Å²	18.5	2%	0.016	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	20.1	-177.6	-48.5	-178	0	0	0	114	L608 E639 I668 L671 H695 L698	L608-L641 HydrophobicContact CD1-CD2 3.72Å; E639-L641 PolarHBondContact O-N 3.34Å; E639-L641 VanDerWaalsContact O-N 3.17Å; L641-I668 HydrophobicContact CB-CD1 3.62Å; L641-I668 HydrophobicContact CB-CG1 3.82Å; L641-I668 HydrophobicContact CD1-CD1 4.34Å; L641-I668 HydrophobicContact CD2-CD1 3.6Å; L641-I668 HydrophobicContact CG-CD1 4.02Å; L641-I668 WeakPolarHBondContact O-CG1 3.44Å; L641-I668 WeakPolarHBondContact O-CG2 3.39Å; L641-I668 PolarHBondContact O-N 3.43Å; L641-L671 HydrophobicContact CB-CB 4.38Å; L641-H695 HydrophobicContact CD1-CB 3.96Å; L641-L698 HydrophobicContact CD1-CD1 3.93Å; L641-L698 HydrophobicContact CD1-CD2 3.82Å; L641-L698 HydrophobicContact CD1-CG 3.63Å
642	E	91.6	Very high	89.7	Confident	50 Å²	50	20.5 Å²	20.5	23%	0.234	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.6	177	-68.4	175.6	-160.7	0	0	109.6	F638 E639 D640 F666 E667 L671 R697	F638-E642 WeakPolarHBondContact CD2-O 3.25Å; E639-E642 PolarHBondContact N-O 3.5Å; E639-E642 PolarHBondContact O-N 3.25Å; D640-E642 PolarHBondContact O-N 3.28Å; D640-E642 VanDerWaalsContact O-N 3.16Å; E642-F666 WeakPolarHBondContact CA-O 3.33Å; E642-E667 HydrophobicContact CG-CG 4.45Å; E642-L671 HydrophobicContact CG-CD2 3.66Å; E642-R697 IonicContact OE1-CZ 2.69Å; E642-R697 IonicContact OE1-NE 2.93Å; E642-R697 PolarHBondContact OE1-NE 3.15Å; E642-R697 IonicContact OE1-NH2 3.68Å; E642-R697 PolarHBondContact OE1-NH2 2.92Å
643	I	92.4	Very high	89.8	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.4	176.2	-59.3	162.5	0	0	0	107.7	A610 M617 V619 I635 N637 F638 N665 F666 I668	A610-I643 HydrophobicContact CB-CD1 3.69Å; A610-I643 HydrophobicContact CB-CG1 4.36Å; M617-I643 HydrophobicContact CE-CB 4.47Å; M617-I643 HydrophobicContact CE-CD1 3.95Å; M617-I643 HydrophobicContact CE-CG2 4.36Å; M617-I643 HydrophobicContact SD-CB 4.49Å; M617-I643 HydrophobicContact SD-CD1 4.06Å; M617-I643 HydrophobicContact SD-CG2 3.8Å; V619-I643 HydrophobicContact CG2-CD1 3.38Å; I635-I643 HydrophobicContact CG2-CG2 3.95Å; N637-I643 WeakPolarHBondContact O-CA 3.36Å; F638-I643 HydrophobicContact CB-CG1 4.35Å; F638-I643 HydrophobicContact CD1-CG1 4.32Å; F638-I643 HydrophobicContact CD2-CD1 4.47Å; F638-I643 HydrophobicContact CD2-CG1 3.53Å; F638-I643 HydrophobicContact CE2-CD1 4.38Å; F638-I643 HydrophobicContact CE2-CG1 3.8Å; F638-I643 HydrophobicContact CG-CG1 3.83Å; F638-I643 HydrophobicContact CZ-CD1 4.45Å; F638-I643 HydrophobicContact CZ-CG1 4.3Å; I643-N665 CarbonylContact O-C 3.52Å; I643-N665 WeakPolarHBondContact O-CA 3.28Å; I643-F666 HydrophobicContact CB-CB 4.35Å; I643-F666 PolarHBondContact N-O 3.26Å; I643-F666 PolarHBondContact O-N 2.98Å; I643-I668 HydrophobicContact CD1-CG2 4.11Å; I643-I668 HydrophobicContact CG1-CG2 4.42Å
644	K	92.4	Very high	89.7	Confident	42 Å²	42	30.1 Å²	30.1	18%	0.183	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	127	172.8	-173.7	172	-65.1	179.7	0	108.8	Y339 N342 C636 N637 N665	Y339-K644 HydrophobicContact CE1-CD 4.44Å; Y339-K644 HydrophobicContact CE2-CD 4.21Å; Y339-K644 WeakPolarHBondContact OH-CD 3.24Å; Y339-K644 PolarHBondContact OH-NZ 3.23Å; N342-K644 PolarHBondContact OD1-NZ 3.4Å; C636-K644 WeakPolarHBondContact CA-O 3.38Å; C636-K644 HydrophobicContact CB-CB 4.31Å; C636-K644 HydrophobicContact CB-CG 4.2Å; C636-K644 VanDerWaalsContact CB-O 3.26Å; C636-K644 WeakPolarHBondContact CB-O 3.39Å; C636-K644 PolarHBondContact N-O 2.92Å; N637-K644 HydrophobicContact CB-CB 4.41Å; N637-K644 PolarHBondContact N-O 2.82Å; N637-K644 PolarHBondContact O-N 3.35Å; K644-N665 VanDerWaalsContact CE-OD1 3.31Å; K644-N665 WeakPolarHBondContact CE-OD1 3.35Å; K644-N665 WeakPolarHBondContact CG-OD1 3.26Å
645	S	92.3	Very high	89.5	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.007	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	159.8	174.5	77	0	0	0	0	111.7	Y634 L663 I664 F666	Y634-S645 CarbonylContact O-C 3.55Å; Y634-S645 WeakPolarHBondContact O-CA 3.14Å; Y634-S645 WeakPolarHBondContact O-CB 3.47Å; S645-L663 WeakPolarHBondContact O-CA 3.19Å; S645-I664 PolarHBondContact N-O 3.35Å; S645-I664 PolarHBondContact O-N 3.04Å; S645-I664 PolarHBondContact OG-O 2.97Å; S645-F666 WeakPolarHBondContact OG-CE2 3.31Å
646	V	92.3	Very high	89.1	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	138	177.7	65.3	0	0	0	0	111	W337 V344 G633 Y634 C636 L648 I651 Y662 L663	W337-V646 HydrophobicContact CE3-CG1 4.18Å; W337-V646 HydrophobicContact CH2-CG1 3.92Å; W337-V646 HydrophobicContact CZ3-CG1 3.62Å; V344-V646 HydrophobicContact CG1-CG2 4.44Å; V344-V646 HydrophobicContact CG2-CG2 4.47Å; G633-V646 WeakPolarHBondContact CA-O 3.33Å; Y634-V646 PolarHBondContact N-O 3.45Å; Y634-V646 PolarHBondContact O-N 2.77Å; C636-V646 VanDerWaalsContact SG-CB 3.54Å; C636-V646 WeakPolarHBondContact SG-CG1 3.41Å; V646-L648 HydrophobicContact CG1-CD2 3.88Å; V646-L648 HydrophobicContact CG1-CG 3.92Å; V646-L648 HydrophobicContact CG2-CD2 4.2Å; V646-L648 PolarHBondContact O-N 2.96Å; V646-I651 HydrophobicContact CG2-CD1 3.4Å; V646-I651 VanDerWaalsContact CG2-CD1 3.4Å; V646-Y662 WeakPolarHBondContact CA-O 3.12Å; V646-L663 HydrophobicContact CB-CD2 3.95Å; V646-L663 HydrophobicContact CG2-CD2 4.01Å
647	L	90.1	Very high	88.9	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.031	19%	0.187	C	C	.	.			trans	-89.1	78.3	176	-58.3	-179.6	0	0	0	110.8	R53 G54 D649 E650 I651 Y662 I664	R53-L647 HydrophobicContact CG-CD1 4.15Å; G54-L647 VanDerWaalsContact CA-CD1 3.49Å; L647-D649 VanDerWaalsContact C-N 3.3Å; L647-D649 PolarHBondContact O-N 2.82Å; L647-E650 HydrophobicContact CB-CB 4.25Å; L647-E650 HydrophobicContact CB-CG 4.2Å; L647-E650 HydrophobicContact CD1-CG 4.46Å; L647-E650 PolarHBondContact O-N 2.77Å; L647-I651 WeakPolarHBondContact O-CG1 3.49Å; L647-I651 PolarHBondContact O-N 2.74Å; L647-I651 VanDerWaalsContact O-N 3.12Å; L647-Y662 PolarHBondContact N-O 3.36Å; L647-I664 HydrophobicContact CD1-CD1 4.08Å; L647-I664 HydrophobicContact CD2-CD1 4.29Å; L647-I664 HydrophobicContact CG-CD1 4.25Å
648	L	88.6	Confident	88.7	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-62.3	-35.3	-178.2	-63.5	172.5	0	0	0	113.4	Y335 W337 Y634 V646 E650 I651 L652	Y335-L648 HydrophobicContact CD2-CB 3.69Å; Y335-L648 HydrophobicContact CD2-CD1 3.78Å; Y335-L648 HydrophobicContact CD2-CG 4.38Å; Y335-L648 HydrophobicContact CE2-CB 3.79Å; W337-L648 HydrophobicContact CB-CD1 4.22Å; W337-L648 HydrophobicContact CB-CD2 4.43Å; W337-L648 HydrophobicContact CD2-CD1 3.45Å; W337-L648 VanDerWaalsContact CD2-CD1 3.45Å; W337-L648 HydrophobicContact CD2-CD2 4.23Å; W337-L648 HydrophobicContact CD2-CG 4.39Å; W337-L648 VanDerWaalsContact CE2-CD1 3.49Å; W337-L648 HydrophobicContact CE3-CD1 4.17Å; W337-L648 HydrophobicContact CE3-CD2 4.27Å; W337-L648 HydrophobicContact CG-CD1 3.41Å; W337-L648 VanDerWaalsContact CG-CD1 3.41Å; W337-L648 HydrophobicContact CG-CD2 4.28Å; W337-L648 HydrophobicContact CG-CG 4.49Å; W337-L648 HydrophobicContact CZ2-CD1 4.24Å; Y634-L648 HydrophobicContact CD1-CD1 3.93Å; Y634-L648 HydrophobicContact CD2-CB 3.84Å; Y634-L648 HydrophobicContact CD2-CD1 3.61Å; Y634-L648 HydrophobicContact CD2-CG 3.78Å; Y634-L648 HydrophobicContact CE1-CD1 4.29Å; Y634-L648 HydrophobicContact CE2-CB 3.84Å; Y634-L648 HydrophobicContact CE2-CD1 3.99Å; Y634-L648 HydrophobicContact CE2-CG 4.23Å; Y634-L648 HydrophobicContact CG-CD1 3.59Å; Y634-L648 HydrophobicContact CG-CG 4.17Å; V646-L648 HydrophobicContact CG1-CD2 3.88Å; V646-L648 HydrophobicContact CG1-CG 3.92Å; V646-L648 HydrophobicContact CG2-CD2 4.2Å; V646-L648 PolarHBondContact O-N 2.96Å; L648-E650 PolarHBondContact O-N 3.23Å; L648-I651 PolarHBondContact O-N 2.77Å; L648-L652 WeakPolarHBondContact O-CB 3.3Å; L648-L652 WeakPolarHBondContact O-CG 3.4Å; L648-L652 PolarHBondContact O-N 2.72Å
649	D	86	Confident	88.4	Confident	20 Å²	20	41.2 Å²	41.2	11%	0.107	20%	0.201	C	C	.	.	H	α-helix	trans	-61.6	-31	178.9	-60	-22	0	0	0	112	L316 R332 Y335 L647 K653	L316-D649 HydrophobicContact CD1-CB 3.92Å; R332-D649 IonicContact CZ-OD2 2.7Å; R332-D649 IonicContact NH1-OD2 2.71Å; R332-D649 PolarHBondContact NH1-OD2 2.82Å; Y335-D649 WeakPolarHBondContact CE2-OD1 3.47Å; Y335-D649 PolarHBondContact OH-OD1 3.29Å; L647-D649 VanDerWaalsContact C-N 3.3Å; L647-D649 PolarHBondContact O-N 2.82Å; D649-K653 WeakPolarHBondContact O-CG 3.5Å
650	E	85.1	Confident	88.1	Confident	64 Å²	64	41.5 Å²	41.5	30%	0.299	20%	0.201	S	C	.	.	H	α-helix	trans	-82.1	-40.5	176.2	-61.7	-56.1	137.4	0	0	111.3	L647 L648 L652 K653 Y662	L647-E650 HydrophobicContact CB-CB 4.25Å; L647-E650 HydrophobicContact CB-CG 4.2Å; L647-E650 HydrophobicContact CD1-CG 4.46Å; L647-E650 PolarHBondContact O-N 2.77Å; L648-E650 PolarHBondContact O-N 3.23Å; E650-L652 VanDerWaalsContact C-N 3.27Å; E650-L652 PolarHBondContact O-N 2.86Å; E650-K653 PolarHBondContact O-N 2.68Å; E650-K653 IonicContact OE1-NZ 3.82Å; E650-K653 PolarHBondContact OE1-NZ 2.93Å; E650-K653 IonicContact OE2-NZ 2.8Å; E650-K653 PolarHBondContact OE2-NZ 3.28Å; E650-Y662 HydrophobicContact CB-CD1 3.79Å; E650-Y662 HydrophobicContact CB-CE1 3.7Å; E650-Y662 HydrophobicContact CB-CG 4.42Å; E650-Y662 HydrophobicContact CG-CD1 4.49Å; E650-Y662 HydrophobicContact CG-CE1 4.41Å
651	I	88.5	Confident	88	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.5	-40.1	175.4	-67.8	172.6	0	0	0	110.7	Y346 W361 V646 L647 L648 K653 D654 P655 Y662	Y346-I651 HydrophobicContact CD1-CG2 4.44Å; Y346-I651 HydrophobicContact CD2-CG2 4.22Å; Y346-I651 HydrophobicContact CE1-CG2 4Å; Y346-I651 HydrophobicContact CE2-CG2 3.76Å; W361-I651 HydrophobicContact CZ3-CD1 3.96Å; V646-I651 HydrophobicContact CG2-CD1 3.4Å; V646-I651 VanDerWaalsContact CG2-CD1 3.4Å; L647-I651 WeakPolarHBondContact O-CG1 3.49Å; L647-I651 PolarHBondContact O-N 2.74Å; L647-I651 VanDerWaalsContact O-N 3.12Å; L648-I651 PolarHBondContact O-N 2.77Å; I651-K653 VanDerWaalsContact C-N 3.27Å; I651-K653 PolarHBondContact O-N 3.44Å; I651-D654 CarbonylContact O-C 3.56Å; I651-D654 PolarHBondContact O-N 3.38Å; I651-D654 VanDerWaalsContact O-O 3.09Å; I651-P655 WeakPolarHBondContact O-CA 3.5Å; I651-Y662 HydrophobicContact CG1-CD2 3.73Å; I651-Y662 HydrophobicContact CG1-CG 4.1Å
652	L	86	Confident	87.8	Confident	42 Å²	42	44.3 Å²	44.3	22%	0.22	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-6	-176.4	-69.5	170.3	0	0	0	114.3	Y335 Y346 L648 E650 P655	Y335-L652 HydrophobicContact CD1-CD1 3.14Å; Y335-L652 HydrophobicContact CD2-CD1 3.8Å; Y335-L652 HydrophobicContact CE1-CD1 3.09Å; Y335-L652 HydrophobicContact CE2-CD1 3.73Å; Y335-L652 HydrophobicContact CG-CD1 3.51Å; Y346-L652 HydrophobicContact CD2-CD2 4.17Å; L648-L652 WeakPolarHBondContact O-CB 3.3Å; L648-L652 WeakPolarHBondContact O-CG 3.4Å; L648-L652 PolarHBondContact O-N 2.72Å; E650-L652 VanDerWaalsContact C-N 3.27Å; E650-L652 PolarHBondContact O-N 2.86Å; L652-P655 HydrophobicContact CD2-CB 4.38Å
653	K	82.7	Confident	87.6	Confident	142 Å²	142	43.4 Å²	43.4	62%	0.617	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-39.1	166.2	-68	174	-167.3	167.5	0	111.6	D649 E650 I651	D649-K653 WeakPolarHBondContact O-CG 3.5Å; E650-K653 PolarHBondContact O-N 2.68Å; E650-K653 IonicContact OE1-NZ 3.82Å; E650-K653 PolarHBondContact OE1-NZ 2.93Å; E650-K653 IonicContact OE2-NZ 2.8Å; E650-K653 PolarHBondContact OE2-NZ 3.28Å; I651-K653 VanDerWaalsContact C-N 3.27Å; I651-K653 PolarHBondContact O-N 3.44Å
654	D	85.3	Confident	87.5	Confident	77 Å²	77	45.2 Å²	45.2	41%	0.412	22%	0.219	S	C	.	.	S	Bend	trans	-131.4	77.1	171.3	-175.9	0.9	0	0	0	109.9	I651 E656 H657	I651-D654 CarbonylContact O-C 3.56Å; I651-D654 PolarHBondContact O-N 3.38Å; I651-D654 VanDerWaalsContact O-O 3.09Å; D654-E656 PolarHBondContact O-N 3.18Å; D654-E656 VanDerWaalsContact O-N 3.15Å; D654-E656 PolarHBondContact OD1-N 3.33Å; D654-H657 PolarHBondContact O-N 3.25Å; D654-H657 IonicContact OD1-CG 2.79Å; D654-H657 PolarHBondContact OD1-N 3.28Å; D654-H657 IonicContact OD1-ND1 3.47Å; D654-H657 PolarHBondContact OD1-ND1 2.97Å; D654-H657 VanDerWaalsContact OD1-ND1 3.16Å; D654-H657 WeakPolarHBondContact OD2-CB 3.19Å; D654-H657 IonicContact OD2-CG 3.91Å; D654-H657 IonicContact OD2-ND1 3.57Å; D654-H657 PolarHBondContact OD2-ND1 3.17Å
655	P	86.3	Confident	87.4	Confident	20 Å²	20	47.5 Å²	47.5	13%	0.13	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-13.8	-172.6	28.2	-35.7	0	0	0	113	Y346 Y348 I651 L652	Y346-P655 HydrophobicContact CE2-CB 4.04Å; Y346-P655 PolarHBondContact OH-O 2.9Å; Y348-P655 HydrophobicContact CD1-CB 3.62Å; Y348-P655 HydrophobicContact CD1-CG 4.19Å; Y348-P655 HydrophobicContact CD2-CB 3.82Å; Y348-P655 HydrophobicContact CD2-CG 3.42Å; Y348-P655 VanDerWaalsContact CD2-CG 3.42Å; Y348-P655 HydrophobicContact CE1-CB 3.71Å; Y348-P655 HydrophobicContact CE1-CG 4.18Å; Y348-P655 HydrophobicContact CE2-CB 3.88Å; Y348-P655 HydrophobicContact CE2-CG 3.38Å; Y348-P655 HydrophobicContact CG-CB 3.68Å; Y348-P655 HydrophobicContact CG-CG 3.83Å; I651-P655 WeakPolarHBondContact O-CA 3.5Å; L652-P655 HydrophobicContact CD2-CB 4.38Å
656	E	86.1	Confident	87.2	Confident	66 Å²	66	49 Å²	49	31%	0.308	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-31.8	177.7	-70.7	-168.3	176.9	0	0	112.5	Y348 R350 K368 D654 P658	Y348-E656 VanDerWaalsContact OH-CG 3.27Å; Y348-E656 WeakPolarHBondContact OH-CG 3.42Å; R350-E656 IonicContact CZ-OE1 3.3Å; R350-E656 IonicContact NE-OE1 2.74Å; R350-E656 IonicContact NH1-OE1 2.72Å; R350-E656 PolarHBondContact NH1-OE1 3.46Å; R350-E656 IonicContact NH2-OE1 2.67Å; R350-E656 PolarHBondContact NH2-OE1 3.43Å; K368-E656 WeakPolarHBondContact CD-O 3.15Å; K368-E656 PolarHBondContact NZ-O 3.38Å; D654-E656 PolarHBondContact O-N 3.18Å; D654-E656 VanDerWaalsContact O-N 3.15Å; D654-E656 PolarHBondContact OD1-N 3.33Å; E656-P658 WeakPolarHBondContact O-CD 3.33Å
657	H	87.1	Confident	87.1	Confident	112 Å²	112	51.2 Å²	51.2	52%	0.519	25%	0.25	S	S	.	.	S	Bend	trans	-119.4	67.4	-172.6	-53.8	91.2	0	0	0	111.9	D654 N659	D654-H657 PolarHBondContact O-N 3.25Å; D654-H657 IonicContact OD1-CG 2.79Å; D654-H657 PolarHBondContact OD1-N 3.28Å; D654-H657 IonicContact OD1-ND1 3.47Å; D654-H657 PolarHBondContact OD1-ND1 2.97Å; D654-H657 VanDerWaalsContact OD1-ND1 3.16Å; D654-H657 WeakPolarHBondContact OD2-CB 3.19Å; D654-H657 IonicContact OD2-CG 3.91Å; D654-H657 IonicContact OD2-ND1 3.57Å; D654-H657 PolarHBondContact OD2-ND1 3.17Å; H657-N659 PolarHBondContact O-N 2.6Å
658	P	86.9	Confident	87	Confident	14 Å²	14	51 Å²	51	9%	0.091	25%	0.249	C	C	.	.			trans	-64.8	136.3	178.7	29.4	-35.4	0	0	0	110.9	W361 E656	W361-P658 HydrophobicContact CB-CG 4.31Å; W361-P658 HydrophobicContact CD2-CB 3.63Å; W361-P658 HydrophobicContact CD2-CG 3.77Å; W361-P658 HydrophobicContact CE3-CB 3.69Å; W361-P658 HydrophobicContact CE3-CG 4.28Å; W361-P658 HydrophobicContact CG-CB 4.16Å; W361-P658 HydrophobicContact CG-CG 3.75Å; W361-P658 HydrophobicContact CH2-CB 4.2Å; W361-P658 HydrophobicContact CZ2-CB 4.13Å; W361-P658 HydrophobicContact CZ3-CB 3.98Å; E656-P658 WeakPolarHBondContact O-CD 3.33Å
659	N	86.3	Confident	86.8	Confident	57 Å²	57	57.3 Å²	57.3	31%	0.305	27%	0.273	S	S	.	.			trans	-110.7	139.9	178.5	-175.9	-2.4	0	0	0	110.7	W361 H657 D661 Y662	W361-N659 WeakPolarHBondContact CH2-O 3.46Å; H657-N659 PolarHBondContact O-N 2.6Å; N659-D661 PolarHBondContact ND2-OD2 2.99Å; N659-D661 PolarHBondContact O-N 3.49Å; N659-D661 VanDerWaalsContact O-N 3.14Å; N659-D661 PolarHBondContact OD1-N 3.29Å; N659-Y662 HydrophobicContact CB-CD2 3.86Å; N659-Y662 HydrophobicContact CB-CE2 3.64Å; N659-Y662 WeakPolarHBondContact O-CB 3.43Å; N659-Y662 VanDerWaalsContact O-CD2 3.26Å; N659-Y662 WeakPolarHBondContact O-CD2 3.11Å; N659-Y662 PolarHBondContact O-N 3.1Å
660	K	85.9	Confident	86.8	Confident	86 Å²	86	56.8 Å²	56.8	37%	0.374	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-56.5	-26.4	175.3	-69.3	-171.3	179.4	-174.2	0	113.3	W361 T363 K364 N366 Y662 L663	W361-K660 HydrophobicContact CZ2-CG 4.14Å; T363-K660 WeakPolarHBondContact O-CE 3.42Å; T363-K660 PolarHBondContact O-NZ 2.94Å; K364-K660 PolarHBondContact O-NZ 3.42Å; N366-K660 VanDerWaalsContact CB-CE 3.49Å; K660-Y662 PolarHBondContact O-N 3.12Å; K660-Y662 VanDerWaalsContact O-N 3.1Å; K660-L663 WeakPolarHBondContact O-CB 3.37Å; K660-L663 PolarHBondContact O-N 2.82Å
661	D	85.7	Confident	86.9	Confident	88 Å²	88	53.7 Å²	53.7	47%	0.471	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-60.4	-19.1	175.8	-61.7	-21	0	0	0	113.2	R53 N659 L663	R53-D661 IonicContact NH1-OD2 2.72Å; R53-D661 PolarHBondContact NH1-OD2 3.2Å; N659-D661 PolarHBondContact ND2-OD2 2.99Å; N659-D661 PolarHBondContact O-N 3.49Å; N659-D661 VanDerWaalsContact O-N 3.14Å; N659-D661 PolarHBondContact OD1-N 3.29Å; D661-L663 VanDerWaalsContact C-N 3.26Å; D661-L663 PolarHBondContact O-N 3.02Å
662	Y	85.9	Confident	86.8	Confident	42 Å²	42	59.5 Å²	59.5	17%	0.165	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-82	-2.1	176.3	-55.6	-45.8	0	0	0	113.6	V646 L647 E650 I651 N659 K660	V646-Y662 WeakPolarHBondContact CA-O 3.12Å; L647-Y662 PolarHBondContact N-O 3.36Å; E650-Y662 HydrophobicContact CB-CD1 3.79Å; E650-Y662 HydrophobicContact CB-CE1 3.7Å; E650-Y662 HydrophobicContact CB-CG 4.42Å; E650-Y662 HydrophobicContact CG-CD1 4.49Å; E650-Y662 HydrophobicContact CG-CE1 4.41Å; I651-Y662 HydrophobicContact CG1-CD2 3.73Å; I651-Y662 HydrophobicContact CG1-CG 4.1Å; N659-Y662 HydrophobicContact CB-CD2 3.86Å; N659-Y662 HydrophobicContact CB-CE2 3.64Å; N659-Y662 WeakPolarHBondContact O-CB 3.43Å; N659-Y662 VanDerWaalsContact O-CD2 3.26Å; N659-Y662 WeakPolarHBondContact O-CD2 3.11Å; N659-Y662 PolarHBondContact O-N 3.1Å; K660-Y662 PolarHBondContact O-N 3.12Å; K660-Y662 VanDerWaalsContact O-N 3.1Å
663	L	88.5	Confident	86.8	Confident	32 Å²	32	60.2 Å²	60.2	17%	0.168	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.3	172.9	-71	157.7	0	0	0	109.9	V344 W361 T363 S645 V646 K660 D661	V344-L663 HydrophobicContact CG2-CD2 4.05Å; W361-L663 HydrophobicContact CH2-CD1 3.55Å; W361-L663 HydrophobicContact CH2-CG 4.07Å; W361-L663 HydrophobicContact CZ2-CD1 4.22Å; W361-L663 HydrophobicContact CZ3-CD1 3.91Å; W361-L663 HydrophobicContact CZ3-CG 4.21Å; T363-L663 VanDerWaalsContact CB-CD1 3.48Å; T363-L663 HydrophobicContact CG2-CD1 3.26Å; T363-L663 HydrophobicContact CG2-CD2 4.42Å; T363-L663 HydrophobicContact CG2-CG 4.43Å; S645-L663 WeakPolarHBondContact O-CA 3.19Å; V646-L663 HydrophobicContact CB-CD2 3.95Å; V646-L663 HydrophobicContact CG2-CD2 4.01Å; K660-L663 WeakPolarHBondContact O-CB 3.37Å; K660-L663 PolarHBondContact O-N 2.82Å; D661-L663 VanDerWaalsContact C-N 3.26Å; D661-L663 PolarHBondContact O-N 3.02Å
664	I	88.8	Confident	87	Confident	37 Å²	37	53.4 Å²	53.4	19%	0.19	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.2	-178.9	-52.6	174.9	0	0	0	108.3	S645 L647 F666	S645-I664 PolarHBondContact N-O 3.35Å; S645-I664 PolarHBondContact O-N 3.04Å; S645-I664 PolarHBondContact OG-O 2.97Å; L647-I664 HydrophobicContact CD1-CD1 4.08Å; L647-I664 HydrophobicContact CD2-CD1 4.29Å; L647-I664 HydrophobicContact CG-CD1 4.25Å; I664-F666 HydrophobicContact CB-CE2 4.07Å; I664-F666 HydrophobicContact CB-CZ 4.06Å; I664-F666 HydrophobicContact CD1-CZ 4.43Å; I664-F666 HydrophobicContact CG2-CD1 4.1Å; I664-F666 HydrophobicContact CG2-CD2 4.2Å; I664-F666 HydrophobicContact CG2-CE1 3.59Å; I664-F666 HydrophobicContact CG2-CE2 3.73Å; I664-F666 HydrophobicContact CG2-CG 4.39Å; I664-F666 HydrophobicContact CG2-CZ 3.39Å
665	N	90.1	Very high	87.1	Confident	91 Å²	91	53.6 Å²	53.6	49%	0.487	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	122.1	170.9	-63.7	-32.9	0	0	0	108.4	I643 K644	I643-N665 CarbonylContact O-C 3.52Å; I643-N665 WeakPolarHBondContact O-CA 3.28Å; K644-N665 VanDerWaalsContact CE-OD1 3.31Å; K644-N665 WeakPolarHBondContact CE-OD1 3.35Å; K644-N665 WeakPolarHBondContact CG-OD1 3.26Å
666	F	89.6	Confident	87.2	Confident	32 Å²	32	54.3 Å²	54.3	14%	0.14	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	121.1	175.7	-61.7	-73.8	0	0	0	110.1	M617 I629 T631 E642 I643 S645 I664	M617-F666 HydrophobicContact CE-CB 3.85Å; M617-F666 HydrophobicContact CE-CD1 4.48Å; M617-F666 HydrophobicContact CE-CD2 3.54Å; M617-F666 HydrophobicContact CE-CE2 4.14Å; M617-F666 HydrophobicContact CE-CG 3.72Å; M617-F666 HydrophobicContact SD-CD2 4.4Å; I629-F666 HydrophobicContact CD1-CB 4.27Å; I629-F666 HydrophobicContact CD1-CD1 4.43Å; I629-F666 HydrophobicContact CG2-CD1 3.76Å; I629-F666 HydrophobicContact CG2-CE1 3.61Å; I629-F666 HydrophobicContact CG2-CG 4.49Å; I629-F666 HydrophobicContact CG2-CZ 4.23Å; T631-F666 HydrophobicContact CG2-CE2 4.06Å; T631-F666 HydrophobicContact CG2-CZ 4.01Å; E642-F666 WeakPolarHBondContact CA-O 3.33Å; I643-F666 HydrophobicContact CB-CB 4.35Å; I643-F666 PolarHBondContact N-O 3.26Å; I643-F666 PolarHBondContact O-N 2.98Å; S645-F666 WeakPolarHBondContact OG-CE2 3.31Å; I664-F666 HydrophobicContact CB-CE2 4.07Å; I664-F666 HydrophobicContact CB-CZ 4.06Å; I664-F666 HydrophobicContact CD1-CZ 4.43Å; I664-F666 HydrophobicContact CG2-CD1 4.1Å; I664-F666 HydrophobicContact CG2-CD2 4.2Å; I664-F666 HydrophobicContact CG2-CE1 3.59Å; I664-F666 HydrophobicContact CG2-CE2 3.73Å; I664-F666 HydrophobicContact CG2-CG 4.39Å; I664-F666 HydrophobicContact CG2-CZ 3.39Å
667	E	89.3	Confident	87.3	Confident	46 Å²	46	53.5 Å²	53.5	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.8	170.3	-59.8	-178.9	177.9	0	0	109.3	E642 L671 R672 R675	E642-E667 HydrophobicContact CG-CG 4.45Å; E667-L671 HydrophobicContact CB-CB 4.48Å; E667-L671 HydrophobicContact CB-CD2 4.1Å; E667-L671 HydrophobicContact CG-CD2 3.91Å; E667-R672 PolarHBondContact O-NH2 3.28Å; E667-R672 VanDerWaalsContact O-NH2 3.09Å; E667-R675 VanDerWaalsContact CD-NH1 3.34Å; E667-R675 IonicContact OE1-CZ 3.43Å; E667-R675 IonicContact OE1-NH1 3.7Å; E667-R675 PolarHBondContact OE1-NH1 2.93Å; E667-R675 IonicContact OE1-NH2 3.54Å; E667-R675 PolarHBondContact OE1-NH2 3.26Å; E667-R675 IonicContact OE2-CZ 3.57Å; E667-R675 IonicContact OE2-NH1 2.7Å; E667-R675 PolarHBondContact OE2-NH1 2.88Å; E667-R675 VanDerWaalsContact OE2-NH1 3.17Å; E667-R675 IonicContact OE2-NH2 3.46Å
668	I	87.6	Confident	87.4	Confident	2 Å²	2	49 Å²	49	1%	0.01	23%	0.232	C	C	.	.			trans	-67.6	167.7	174.6	76.7	174.6	0	0	0	110.6	V619 F638 L641 I643 S670 L671 R672	V619-I668 HydrophobicContact CG1-CG2 3.99Å; V619-I668 HydrophobicContact CG2-CG2 4.35Å; F638-I668 HydrophobicContact CE2-CG2 4Å; F638-I668 HydrophobicContact CZ-CG2 4.12Å; L641-I668 HydrophobicContact CB-CD1 3.62Å; L641-I668 HydrophobicContact CB-CG1 3.82Å; L641-I668 HydrophobicContact CD1-CD1 4.34Å; L641-I668 HydrophobicContact CD2-CD1 3.6Å; L641-I668 HydrophobicContact CG-CD1 4.02Å; L641-I668 WeakPolarHBondContact O-CG1 3.44Å; L641-I668 WeakPolarHBondContact O-CG2 3.39Å; L641-I668 PolarHBondContact O-N 3.43Å; I643-I668 HydrophobicContact CD1-CG2 4.11Å; I643-I668 HydrophobicContact CG1-CG2 4.42Å; I668-S670 PolarHBondContact O-N 3Å; I668-L671 PolarHBondContact O-N 2.81Å; I668-R672 PolarHBondContact O-N 2.99Å
669	R	85.9	Confident	87.3	Confident	134 Å²	134	55.3 Å²	55.3	51%	0.506	26%	0.26	S	S	.	.	H	α-helix	trans	-53.5	-47.9	-176	-177.3	175.7	177.8	176.3	4.7	113.8	E626 L671 R672 D673	E626-R669 WeakPolarHBondContact OE2-CB 3.21Å; E626-R669 PolarHBondContact OE2-N 2.87Å; E626-R669 VanDerWaalsContact OE2-N 3.14Å; R669-L671 VanDerWaalsContact C-N 3.3Å; R669-L671 PolarHBondContact O-N 2.83Å; R669-R672 PolarHBondContact O-N 3.49Å; R669-D673 WeakPolarHBondContact CG-OD2 3.23Å; R669-D673 IonicContact NE-OD2 3.32Å; R669-D673 PolarHBondContact NE-OD2 2.85Å; R669-D673 WeakPolarHBondContact O-CB 3.47Å; R669-D673 VanDerWaalsContact O-CG 3.29Å; R669-D673 PolarHBondContact O-N 3.1Å
670	S	84.8	Confident	87.3	Confident	8 Å²	8	61 Å²	61	6%	0.056	28%	0.283	C	S	.	.	H	α-helix	trans	-60.9	-35.3	-177.3	-63.6	0	0	0	0	114.2	R621 I668 S674	R621-S670 PolarHBondContact NH2-OG 2.93Å; I668-S670 PolarHBondContact O-N 3Å; S670-S674 VanDerWaalsContact O-CB 3.29Å; S670-S674 WeakPolarHBondContact O-CB 3.35Å; S670-S674 PolarHBondContact O-N 2.88Å; S670-S674 VanDerWaalsContact O-N 3.09Å; S670-S674 PolarHBondContact O-OG 2.86Å
671	L	86.9	Confident	87.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-73.8	-42.4	178.2	-174	63.7	0	0	0	111.1	L641 E642 E667 I668 R669 S674 R675 R697 L698 L701	L641-L671 HydrophobicContact CB-CB 4.38Å; E642-L671 HydrophobicContact CG-CD2 3.66Å; E667-L671 HydrophobicContact CB-CB 4.48Å; E667-L671 HydrophobicContact CB-CD2 4.1Å; E667-L671 HydrophobicContact CG-CD2 3.91Å; I668-L671 PolarHBondContact O-N 2.81Å; R669-L671 VanDerWaalsContact C-N 3.3Å; R669-L671 PolarHBondContact O-N 2.83Å; L671-S674 PolarHBondContact O-N 3.18Å; L671-R675 WeakPolarHBondContact O-CB 3.36Å; L671-R675 PolarHBondContact O-N 2.98Å; L671-R697 HydrophobicContact CD1-CG 4.12Å; L671-L698 HydrophobicContact CB-CD2 4.37Å; L671-L698 HydrophobicContact CD1-CD2 3.75Å; L671-L701 HydrophobicContact CD1-CD1 4.43Å; L671-L701 HydrophobicContact CD1-CD2 4.33Å
672	R	86.9	Confident	87	Confident	121 Å²	121	57.8 Å²	57.8	46%	0.457	28%	0.276	S	S	.	.	H	α-helix	trans	-62.5	-47.3	176.7	-170.6	-174	-54.6	167.2	8.6	112	E667 I668 R669 R675 A676	E667-R672 PolarHBondContact O-NH2 3.28Å; E667-R672 VanDerWaalsContact O-NH2 3.09Å; I668-R672 PolarHBondContact O-N 2.99Å; R669-R672 PolarHBondContact O-N 3.49Å; R672-R675 PolarHBondContact O-N 3.31Å; R672-A676 WeakPolarHBondContact O-CB 3.48Å; R672-A676 PolarHBondContact O-N 2.91Å
673	D	86.9	Confident	87	Confident	57 Å²	57	56.8 Å²	56.8	31%	0.305	27%	0.274	S	S	.	.	H	α-helix	trans	-64.6	-43.7	179.4	-70.5	-8.7	0	0	0	110.3	R669 R675 A676 L677 F689	R669-D673 WeakPolarHBondContact CG-OD2 3.23Å; R669-D673 IonicContact NE-OD2 3.32Å; R669-D673 PolarHBondContact NE-OD2 2.85Å; R669-D673 WeakPolarHBondContact O-CB 3.47Å; R669-D673 VanDerWaalsContact O-CG 3.29Å; R669-D673 PolarHBondContact O-N 3.1Å; D673-R675 PolarHBondContact O-N 3.47Å; D673-A676 PolarHBondContact O-N 3Å; D673-L677 WeakPolarHBondContact O-CB 3.38Å; D673-L677 VanDerWaalsContact O-CG 3.27Å; D673-L677 WeakPolarHBondContact O-CG 3.41Å; D673-L677 PolarHBondContact O-N 3.37Å; D673-F689 HydrophobicContact CB-CZ 4.24Å
674	S	86.6	Confident	86.8	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-43.6	175.8	-60	0	0	0	0	112.3	S670 L671 L677 I678 F689	S670-S674 VanDerWaalsContact O-CB 3.29Å; S670-S674 WeakPolarHBondContact O-CB 3.35Å; S670-S674 PolarHBondContact O-N 2.88Å; S670-S674 VanDerWaalsContact O-N 3.09Å; S670-S674 PolarHBondContact O-OG 2.86Å; L671-S674 PolarHBondContact O-N 3.18Å; S674-L677 PolarHBondContact O-N 2.88Å; S674-I678 VanDerWaalsContact O-CG1 3.27Å; S674-I678 WeakPolarHBondContact O-CG1 3.5Å; S674-I678 PolarHBondContact O-N 2.89Å; S674-F689 WeakPolarHBondContact OG-CD1 3.24Å; S674-F689 VanDerWaalsContact OG-CE1 3.28Å; S674-F689 WeakPolarHBondContact OG-CE1 3.43Å
675	R	87.8	Confident	86.5	Confident	81 Å²	81	66.2 Å²	66.2	31%	0.306	32%	0.316	S	S	.	.	H	α-helix	trans	-62.9	-45.7	176.1	-175.3	178.2	-64.2	163.8	7.1	111.4	E667 L671 R672 D673 L677 I678 E679 L701	E667-R675 VanDerWaalsContact CD-NH1 3.34Å; E667-R675 IonicContact OE1-CZ 3.43Å; E667-R675 IonicContact OE1-NH1 3.7Å; E667-R675 PolarHBondContact OE1-NH1 2.93Å; E667-R675 IonicContact OE1-NH2 3.54Å; E667-R675 PolarHBondContact OE1-NH2 3.26Å; E667-R675 IonicContact OE2-CZ 3.57Å; E667-R675 IonicContact OE2-NH1 2.7Å; E667-R675 PolarHBondContact OE2-NH1 2.88Å; E667-R675 VanDerWaalsContact OE2-NH1 3.17Å; E667-R675 IonicContact OE2-NH2 3.46Å; L671-R675 WeakPolarHBondContact O-CB 3.36Å; L671-R675 PolarHBondContact O-N 2.98Å; R672-R675 PolarHBondContact O-N 3.31Å; D673-R675 PolarHBondContact O-N 3.47Å; R675-L677 VanDerWaalsContact C-N 3.31Å; R675-L677 PolarHBondContact O-N 3.33Å; R675-I678 PolarHBondContact O-N 3.42Å; R675-E679 PolarHBondContact O-N 3.04Å; R675-L701 HydrophobicContact CB-CD2 4.34Å
676	A	87.9	Confident	86.4	Confident	35 Å²	35	61.9 Å²	61.9	29%	0.289	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-38.1	177.8	0	0	0	0	0	112.3	R672 D673 K680	R672-A676 WeakPolarHBondContact O-CB 3.48Å; R672-A676 PolarHBondContact O-N 2.91Å; D673-A676 PolarHBondContact O-N 3Å; A676-K680 VanDerWaalsContact O-CB 3.29Å; A676-K680 WeakPolarHBondContact O-CB 3.28Å; A676-K680 WeakPolarHBondContact O-CG 3.25Å; A676-K680 PolarHBondContact O-N 3.45Å
677	L	88.8	Confident	86.2	Confident	49 Å²	49	61.6 Å²	61.6	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-65.6	-43.2	175.3	-73.8	171.5	0	0	0	112	D673 S674 R675 E679 V681 G682 A686 F689	D673-L677 WeakPolarHBondContact O-CB 3.38Å; D673-L677 VanDerWaalsContact O-CG 3.27Å; D673-L677 WeakPolarHBondContact O-CG 3.41Å; D673-L677 PolarHBondContact O-N 3.37Å; S674-L677 PolarHBondContact O-N 2.88Å; R675-L677 VanDerWaalsContact C-N 3.31Å; R675-L677 PolarHBondContact O-N 3.33Å; L677-E679 VanDerWaalsContact C-N 3.33Å; L677-E679 PolarHBondContact O-N 2.99Å; L677-V681 HydrophobicContact CD2-CG2 3.96Å; L677-V681 WeakPolarHBondContact O-CB 3.5Å; L677-V681 PolarHBondContact O-N 3.21Å; L677-G682 PolarHBondContact O-N 2.79Å; L677-A686 HydrophobicContact CB-CB 4.25Å; L677-F689 HydrophobicContact CD1-CB 3.85Å; L677-F689 HydrophobicContact CD1-CD1 4.11Å; L677-F689 HydrophobicContact CD1-CD2 4.1Å; L677-F689 HydrophobicContact CD1-CG 3.74Å
678	I	87.6	Confident	86.1	Confident	17 Å²	17	65 Å²	65	9%	0.087	31%	0.311	C	S	.	.	H	α-helix	trans	-61.5	-42	177.4	-71.7	170.7	0	0	0	111.5	S674 R675 A686 L701 A705	S674-I678 VanDerWaalsContact O-CG1 3.27Å; S674-I678 WeakPolarHBondContact O-CG1 3.5Å; S674-I678 PolarHBondContact O-N 2.89Å; R675-I678 PolarHBondContact O-N 3.42Å; I678-A686 HydrophobicContact CD1-CB 4.47Å; I678-A686 HydrophobicContact CG1-CB 3.49Å; I678-A686 VanDerWaalsContact CG1-CB 3.49Å; I678-L701 HydrophobicContact CD1-CD2 3.55Å; I678-L701 HydrophobicContact CD1-CG 3.89Å; I678-A705 HydrophobicContact CD1-CB 4.16Å; I678-A705 HydrophobicContact CG2-CB 3.46Å; I678-A705 VanDerWaalsContact CG2-CB 3.46Å
679	E	84.9	Confident	86	Confident	146 Å²	146	67.3 Å²	67.3	68%	0.682	32%	0.321	S	S	*	.	H	α-helix	trans	-74.5	-43.5	-178.8	-73.5	177	-175.4	0	0	112.8	R675 L677	R675-E679 PolarHBondContact O-N 3.04Å; L677-E679 VanDerWaalsContact C-N 3.33Å; L677-E679 PolarHBondContact O-N 2.99Å
680	K	86.2	Confident	86.1	Confident	178 Å²	178	61 Å²	61	77%	0.774	30%	0.297	S	S	*	.	H	α-helix	trans	-94.1	-35.6	-169.9	-64.8	-179.3	179.7	178.5	0	114.6	A676	A676-K680 VanDerWaalsContact O-CB 3.29Å; A676-K680 WeakPolarHBondContact O-CB 3.28Å; A676-K680 WeakPolarHBondContact O-CG 3.25Å; A676-K680 PolarHBondContact O-N 3.45Å
681	V	83.3	Confident	86.2	Confident	87 Å²	87	65.2 Å²	65.2	53%	0.527	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-45.7	-168.5	-169.1	0	0	0	0	111	L677 D685	L677-V681 HydrophobicContact CD2-CG2 3.96Å; L677-V681 WeakPolarHBondContact O-CB 3.5Å; L677-V681 PolarHBondContact O-N 3.21Å; V681-D685 HydrophobicContact CG1-CB 4.08Å; V681-D685 WeakPolarHBondContact CG1-OD2 3.41Å
682	G	82.6	Confident	86.1	Confident	18 Å²	18	70.7 Å²	70.7	19%	0.186	35%	0.345	C	S	.	.			trans	129.9	176.3	175.3	0	0	0	0	0	114	L677 K684 A686	L677-G682 PolarHBondContact O-N 2.79Å; G682-K684 PolarHBondContact O-N 2.69Å; G682-A686 WeakPolarHBondContact O-CB 3.24Å; G682-A686 PolarHBondContact O-N 3.26Å
683	I	86.2	Confident	85.9	Confident	21 Å²	21	67 Å²	67	11%	0.108	34%	0.335	C	S	.	.	H	α-helix	trans	-69.6	-32.5	-170	-64.9	177.5	0	0	0	112.7	S687 L702 A706 K709 T714	I683-S687 WeakPolarHBondContact O-CB 2.94Å; I683-S687 PolarHBondContact O-N 3.36Å; I683-L702 HydrophobicContact CG2-CD1 3.83Å; I683-A706 HydrophobicContact CD1-CB 4.28Å; I683-K709 HydrophobicContact CD1-CB 4.33Å; I683-K709 HydrophobicContact CD1-CD 3.78Å; I683-K709 HydrophobicContact CD1-CG 4.33Å; I683-K709 HydrophobicContact CG1-CD 4.46Å; I683-T714 HydrophobicContact CG2-CG2 3.8Å
684	K	83.8	Confident	85.7	Confident	183 Å²	183	68.8 Å²	68.8	80%	0.796	35%	0.349	S	S	*	.	H	α-helix	trans	-67.2	-50.3	-175.5	-68.4	-175.8	178.5	-179.5	0	112.5	G682 A686 S687 Q688	G682-K684 PolarHBondContact O-N 2.69Å; K684-A686 VanDerWaalsContact C-N 3.34Å; K684-S687 WeakPolarHBondContact O-CB 3.15Å; K684-S687 PolarHBondContact O-N 2.99Å; K684-Q688 PolarHBondContact O-N 3.33Å
685	D	83.7	Confident	85.7	Confident	85 Å²	85	69.6 Å²	69.6	46%	0.455	35%	0.353	S	S	.	.	H	α-helix	trans	-71.1	-34.3	-180	-60.6	-18.8	0	0	0	111.1	V681 S687 Q688 F689	V681-D685 HydrophobicContact CG1-CB 4.08Å; V681-D685 WeakPolarHBondContact CG1-OD2 3.41Å; D685-S687 VanDerWaalsContact C-N 3.32Å; D685-S687 PolarHBondContact O-N 2.93Å; D685-Q688 PolarHBondContact O-N 3.06Å; D685-F689 PolarHBondContact O-N 3.31Å
686	A	86.4	Confident	85.6	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61.3	-40	170.2	0	0	0	0	0	112	L677 I678 G682 K684 Q688 F689 I690 L702	L677-A686 HydrophobicContact CB-CB 4.25Å; I678-A686 HydrophobicContact CD1-CB 4.47Å; I678-A686 HydrophobicContact CG1-CB 3.49Å; I678-A686 VanDerWaalsContact CG1-CB 3.49Å; G682-A686 WeakPolarHBondContact O-CB 3.24Å; G682-A686 PolarHBondContact O-N 3.26Å; K684-A686 VanDerWaalsContact C-N 3.34Å; A686-Q688 VanDerWaalsContact C-N 3.33Å; A686-Q688 PolarHBondContact O-N 2.99Å; A686-F689 PolarHBondContact O-N 2.69Å; A686-I690 WeakPolarHBondContact O-CB 3.22Å; A686-I690 WeakPolarHBondContact O-CD1 3.46Å; A686-I690 WeakPolarHBondContact O-CG1 3.48Å; A686-I690 PolarHBondContact O-N 2.94Å; A686-L702 HydrophobicContact CB-CD1 4.22Å
687	S	85.3	Confident	85.6	Confident	25 Å²	25	69.6 Å²	69.6	18%	0.175	36%	0.355	C	S	.	.	H	α-helix	trans	-61	-42.5	175.4	-170.8	0	0	0	0	111.6	I683 K684 D685 I690 E691	I683-S687 WeakPolarHBondContact O-CB 2.94Å; I683-S687 PolarHBondContact O-N 3.36Å; K684-S687 WeakPolarHBondContact O-CB 3.15Å; K684-S687 PolarHBondContact O-N 2.99Å; D685-S687 VanDerWaalsContact C-N 3.32Å; D685-S687 PolarHBondContact O-N 2.93Å; S687-I690 PolarHBondContact O-N 3.25Å; S687-E691 WeakPolarHBondContact O-CG 3.24Å; S687-E691 PolarHBondContact O-N 2.86Å
688	Q	87.1	Confident	85.6	Confident	119 Å²	119	67.3 Å²	67.3	56%	0.556	34%	0.343	S	S	*	.	H	α-helix	trans	-64	-45.5	178.2	-170.8	173.8	-3.3	0	0	111.7	K684 D685 A686 I690 E691 D692	K684-Q688 PolarHBondContact O-N 3.33Å; D685-Q688 PolarHBondContact O-N 3.06Å; A686-Q688 VanDerWaalsContact C-N 3.33Å; A686-Q688 PolarHBondContact O-N 2.99Å; Q688-I690 VanDerWaalsContact C-N 3.28Å; Q688-I690 PolarHBondContact O-N 3.15Å; Q688-E691 PolarHBondContact O-N 2.95Å; Q688-E691 VanDerWaalsContact O-N 3.13Å; Q688-D692 PolarHBondContact O-N 3.05Å
689	F	87.5	Confident	85.6	Confident	50 Å²	50	67.4 Å²	67.4	22%	0.219	34%	0.342	C	S	.	.	H	α-helix	trans	-59.1	-38.6	176.1	179.7	-96.2	0	0	0	112.9	D673 S674 L677 D685 A686 D692 N693	D673-F689 HydrophobicContact CB-CZ 4.24Å; S674-F689 WeakPolarHBondContact OG-CD1 3.24Å; S674-F689 VanDerWaalsContact OG-CE1 3.28Å; S674-F689 WeakPolarHBondContact OG-CE1 3.43Å; L677-F689 HydrophobicContact CD1-CB 3.85Å; L677-F689 HydrophobicContact CD1-CD1 4.11Å; L677-F689 HydrophobicContact CD1-CD2 4.1Å; L677-F689 HydrophobicContact CD1-CG 3.74Å; D685-F689 PolarHBondContact O-N 3.31Å; A686-F689 PolarHBondContact O-N 2.69Å; F689-D692 PolarHBondContact O-N 3.23Å; F689-N693 PolarHBondContact O-N 3Å; F689-N693 PolarHBondContact O-ND2 3.2Å
690	I	86.9	Confident	85.8	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-74.1	-30.7	178.7	-64.4	168.7	0	0	0	111.3	A686 S687 Q688 D692 N693 P694 L698 W699 L702	A686-I690 WeakPolarHBondContact O-CB 3.22Å; A686-I690 WeakPolarHBondContact O-CD1 3.46Å; A686-I690 WeakPolarHBondContact O-CG1 3.48Å; A686-I690 PolarHBondContact O-N 2.94Å; S687-I690 PolarHBondContact O-N 3.25Å; Q688-I690 VanDerWaalsContact C-N 3.28Å; Q688-I690 PolarHBondContact O-N 3.15Å; I690-D692 VanDerWaalsContact C-N 3.35Å; I690-N693 CarbonylContact O-C 3.13Å; I690-N693 PolarHBondContact O-N 3.3Å; I690-P694 VanDerWaalsContact O-CA 3.26Å; I690-P694 WeakPolarHBondContact O-CA 3.33Å; I690-L698 HydrophobicContact CD1-CB 4.26Å; I690-L698 HydrophobicContact CG1-CB 4.03Å; I690-L698 HydrophobicContact CG2-CB 3.79Å; I690-W699 HydrophobicContact CG2-CD2 3.59Å; I690-W699 HydrophobicContact CG2-CE3 3.94Å; I690-W699 HydrophobicContact CG2-CG 3.99Å; I690-W699 HydrophobicContact CG2-CH2 4.27Å; I690-W699 HydrophobicContact CG2-CZ2 3.94Å; I690-W699 HydrophobicContact CG2-CZ3 4.26Å; I690-L702 HydrophobicContact CD1-CB 3.8Å; I690-L702 HydrophobicContact CD1-CD1 4.22Å; I690-L702 HydrophobicContact CD1-CD2 4.32Å; I690-L702 HydrophobicContact CD1-CG 4.34Å
691	E	86.4	Confident	85.8	Confident	97 Å²	97	58.2 Å²	58.2	45%	0.453	30%	0.298	S	S	.	.	H	α-helix	trans	-65.8	-38.2	170.3	-75.2	-165.9	144.3	0	0	112.2	S687 Q688 N693 W699 R721	S687-E691 WeakPolarHBondContact O-CG 3.24Å; S687-E691 PolarHBondContact O-N 2.86Å; Q688-E691 PolarHBondContact O-N 2.95Å; Q688-E691 VanDerWaalsContact O-N 3.13Å; E691-N693 VanDerWaalsContact C-N 3.31Å; E691-W699 HydrophobicContact CG-CH2 3.4Å; E691-W699 VanDerWaalsContact CG-CH2 3.4Å; E691-W699 HydrophobicContact CG-CZ2 3.74Å; E691-R721 IonicContact OE1-CZ 3.51Å; E691-R721 IonicContact OE1-NH1 3.22Å; E691-R721 PolarHBondContact OE1-NH1 3.37Å; E691-R721 VanDerWaalsContact OE1-NH1 3.09Å; E691-R721 IonicContact OE1-NH2 2.81Å
692	D	85.5	Confident	86.1	Confident	115 Å²	115	54.1 Å²	54.1	62%	0.615	27%	0.273	S	S	*	.	H	α-helix	trans	-71	-27.6	175.7	-65	-26.7	0	0	0	112.3	Q688 F689 I690	Q688-D692 PolarHBondContact O-N 3.05Å; F689-D692 PolarHBondContact O-N 3.23Å; I690-D692 VanDerWaalsContact C-N 3.35Å
693	N	83	Confident	86.4	Confident	45 Å²	45	53.3 Å²	53.3	24%	0.241	26%	0.264	C	S	.	.	S	Bend	trans	-127.9	69.6	179.6	-67.1	-92.5	0	0	0	111.4	R621 F689 I690 E691 H695 L698	R621-N693 PolarHBondContact NH1-OD1 3.48Å; F689-N693 PolarHBondContact O-N 3Å; F689-N693 PolarHBondContact O-ND2 3.2Å; I690-N693 CarbonylContact O-C 3.13Å; I690-N693 PolarHBondContact O-N 3.3Å; E691-N693 VanDerWaalsContact C-N 3.31Å; N693-H695 PolarHBondContact O-N 3.45Å; N693-L698 WeakPolarHBondContact O-CD1 3.43Å
694	P	82.8	Confident	86.4	Confident	93 Å²	93	54.3 Å²	54.3	60%	0.604	27%	0.268	S	S	*	.			trans	-70.7	121	-169.5	27.4	-34	0	0	0	111.9	I690	I690-P694 VanDerWaalsContact O-CA 3.26Å; I690-P694 WeakPolarHBondContact O-CA 3.33Å
695	H	85.4	Confident	86.6	Confident	17 Å²	17	46.2 Å²	46.2	8%	0.079	24%	0.236	C	C	.	.			trans	-144.6	138.7	171.4	-165.3	-92.3	0	0	0	110.9	D604 L641 N693 R697 L698 W699	D604-H695 IonicContact OD2-CE1 2.76Å; D604-H695 PolarHBondContact OD2-CE1 2.97Å; D604-H695 VanDerWaalsContact OD2-CE1 3.23Å; D604-H695 IonicContact OD2-NE2 3.51Å; D604-H695 PolarHBondContact OD2-NE2 3.48Å; L641-H695 HydrophobicContact CD1-CB 3.96Å; N693-H695 PolarHBondContact O-N 3.45Å; H695-R697 VanDerWaalsContact C-N 3.26Å; H695-R697 WeakPolarHBondContact ND1-CB 3.42Å; H695-R697 PolarHBondContact ND1-N 2.67Å; H695-R697 PolarHBondContact O-N 3.39Å; H695-L698 HydrophobicContact CB-CB 4.39Å; H695-L698 HydrophobicContact CB-CD1 4Å; H695-L698 HydrophobicContact CB-CG 4.01Å; H695-L698 PolarHBondContact O-N 3.04Å; H695-W699 PolarHBondContact O-N 3.2Å; H695-W699 VanDerWaalsContact O-N 3.12Å
696	P	86.3	Confident	86.9	Confident	74 Å²	74	42.1 Å²	42.1	48%	0.481	21%	0.214	S	C	.	.	H	α-helix	trans	-52.8	-41	-179.7	-28.1	35.3	0	0	0	113.7	L698 W699 R700 C722	P696-L698 PolarHBondContact O-N 3.2Å; P696-W699 PolarHBondContact O-N 2.97Å; P696-R700 WeakPolarHBondContact O-CB 3.31Å; P696-R700 PolarHBondContact O-N 3.41Å; P696-C722 PolarHBondContact O-SG 3.47Å
697	R	87.6	Confident	87	Confident	42 Å²	42	42.1 Å²	42.1	16%	0.158	21%	0.214	C	C	.	.	H	α-helix	trans	-60.6	-41.3	176.3	-176.2	66.6	170.1	120.5	-1.4	113.5	D640 E642 L671 H695 R700 L701	D640-R697 HydrophobicContact CB-CB 4.21Å; D640-R697 HydrophobicContact CB-CG 4.2Å; D640-R697 VanDerWaalsContact O-CG 3.31Å; D640-R697 WeakPolarHBondContact O-CG 3.48Å; E642-R697 IonicContact OE1-CZ 2.69Å; E642-R697 IonicContact OE1-NE 2.93Å; E642-R697 PolarHBondContact OE1-NE 3.15Å; E642-R697 IonicContact OE1-NH2 3.68Å; E642-R697 PolarHBondContact OE1-NH2 2.92Å; L671-R697 HydrophobicContact CD1-CG 4.12Å; H695-R697 VanDerWaalsContact C-N 3.26Å; H695-R697 WeakPolarHBondContact ND1-CB 3.42Å; H695-R697 PolarHBondContact ND1-N 2.67Å; H695-R697 PolarHBondContact O-N 3.39Å; R697-R700 WeakPolarHBondContact O-CB 3.22Å; R697-R700 PolarHBondContact O-N 3.02Å; R697-L701 PolarHBondContact O-N 3.17Å
698	L	88.2	Confident	87	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-69.8	-42.6	-178.7	-64.1	178.8	0	0	0	110.9	L641 L671 I690 N693 H695 P696 R700 L701 L702	L641-L698 HydrophobicContact CD1-CD1 3.93Å; L641-L698 HydrophobicContact CD1-CD2 3.82Å; L641-L698 HydrophobicContact CD1-CG 3.63Å; L671-L698 HydrophobicContact CB-CD2 4.37Å; L671-L698 HydrophobicContact CD1-CD2 3.75Å; I690-L698 HydrophobicContact CD1-CB 4.26Å; I690-L698 HydrophobicContact CG1-CB 4.03Å; I690-L698 HydrophobicContact CG2-CB 3.79Å; N693-L698 WeakPolarHBondContact O-CD1 3.43Å; H695-L698 HydrophobicContact CB-CB 4.39Å; H695-L698 HydrophobicContact CB-CD1 4Å; H695-L698 HydrophobicContact CB-CG 4.01Å; H695-L698 PolarHBondContact O-N 3.04Å; P696-L698 PolarHBondContact O-N 3.2Å; L698-R700 VanDerWaalsContact C-N 3.25Å; L698-R700 PolarHBondContact O-N 3.46Å; L698-L701 WeakPolarHBondContact O-CB 3.36Å; L698-L701 PolarHBondContact O-N 3.46Å; L698-L702 PolarHBondContact O-N 3.4Å
699	W	88.9	Confident	86.9	Confident	19 Å²	19	45.8 Å²	45.8	7%	0.072	23%	0.226	C	C	.	.	H	α-helix	trans	-60.4	-37.8	172.3	-73.1	114.4	0	0	0	111.9	I690 E691 H695 P696 L702 A703 A718 R721 C722	I690-W699 HydrophobicContact CG2-CD2 3.59Å; I690-W699 HydrophobicContact CG2-CE3 3.94Å; I690-W699 HydrophobicContact CG2-CG 3.99Å; I690-W699 HydrophobicContact CG2-CH2 4.27Å; I690-W699 HydrophobicContact CG2-CZ2 3.94Å; I690-W699 HydrophobicContact CG2-CZ3 4.26Å; E691-W699 HydrophobicContact CG-CH2 3.4Å; E691-W699 VanDerWaalsContact CG-CH2 3.4Å; E691-W699 HydrophobicContact CG-CZ2 3.74Å; H695-W699 PolarHBondContact O-N 3.2Å; H695-W699 VanDerWaalsContact O-N 3.12Å; P696-W699 PolarHBondContact O-N 2.97Å; W699-L702 HydrophobicContact CE3-CD2 3.86Å; W699-L702 HydrophobicContact CZ3-CD2 3.74Å; W699-L702 PolarHBondContact O-N 3.06Å; W699-A703 WeakPolarHBondContact O-CB 3.39Å; W699-A703 PolarHBondContact O-N 3.34Å; W699-A718 HydrophobicContact CE3-CB 4.17Å; W699-R721 HydrophobicContact CB-CB 4.47Å; W699-R721 HydrophobicContact CD2-CB 3.77Å; W699-R721 HydrophobicContact CD2-CG 4.26Å; W699-R721 HydrophobicContact CE3-CB 4.18Å; W699-R721 HydrophobicContact CE3-CG 4.34Å; W699-R721 HydrophobicContact CG-CB 3.91Å; W699-R721 HydrophobicContact CH2-CG 4.4Å; W699-R721 HydrophobicContact CZ2-CG 4.34Å; W699-R721 HydrophobicContact CZ3-CG 4.42Å; W699-C722 WeakPolarHBondContact CB-SG 3.11Å
700	R	87.9	Confident	86.8	Confident	114 Å²	114	45.1 Å²	45.1	43%	0.43	23%	0.225	S	C	.	.	H	α-helix	trans	-64.4	-47.5	174.2	-171.7	177.3	179	151.6	6.6	110.8	P696 R697 L698 L702 A703 E704 C722	P696-R700 WeakPolarHBondContact O-CB 3.31Å; P696-R700 PolarHBondContact O-N 3.41Å; R697-R700 WeakPolarHBondContact O-CB 3.22Å; R697-R700 PolarHBondContact O-N 3.02Å; L698-R700 VanDerWaalsContact C-N 3.25Å; L698-R700 PolarHBondContact O-N 3.46Å; R700-L702 VanDerWaalsContact C-N 3.27Å; R700-L702 PolarHBondContact O-N 3.31Å; R700-A703 WeakPolarHBondContact O-CB 3.41Å; R700-A703 PolarHBondContact O-N 3.12Å; R700-A703 VanDerWaalsContact O-N 3.12Å; R700-E704 HydrophobicContact CG-CG 4.29Å; R700-E704 WeakPolarHBondContact CG-OE1 3.29Å; R700-E704 IonicContact NE-OE1 3.82Å; R700-E704 PolarHBondContact NE-OE1 2.87Å; R700-E704 VanDerWaalsContact NE-OE1 3.16Å; R700-E704 WeakPolarHBondContact O-CB 3.27Å; R700-E704 WeakPolarHBondContact O-CG 3.41Å; R700-E704 PolarHBondContact O-N 2.87Å; R700-C722 PolarHBondContact N-SG 3.41Å
701	L	87.4	Confident	86.9	Confident	17 Å²	17	47.9 Å²	47.9	9%	0.089	24%	0.239	C	C	.	.	H	α-helix	trans	-54.5	-43.1	174.8	-172.3	90.3	0	0	0	111.8	L671 R675 I678 R697 L698 E704 A705	L671-L701 HydrophobicContact CD1-CD1 4.43Å; L671-L701 HydrophobicContact CD1-CD2 4.33Å; R675-L701 HydrophobicContact CB-CD2 4.34Å; I678-L701 HydrophobicContact CD1-CD2 3.55Å; I678-L701 HydrophobicContact CD1-CG 3.89Å; R697-L701 PolarHBondContact O-N 3.17Å; L698-L701 WeakPolarHBondContact O-CB 3.36Å; L698-L701 PolarHBondContact O-N 3.46Å; L701-E704 PolarHBondContact O-N 3.44Å; L701-A705 WeakPolarHBondContact O-CB 3.21Å; L701-A705 PolarHBondContact O-N 3.12Å
702	L	88.8	Confident	87	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-64.6	-45.5	176	-172.7	70.4	0	0	0	111.9	I683 A686 I690 L698 W699 R700 E704 A705 A706 T714 A718	I683-L702 HydrophobicContact CG2-CD1 3.83Å; A686-L702 HydrophobicContact CB-CD1 4.22Å; I690-L702 HydrophobicContact CD1-CB 3.8Å; I690-L702 HydrophobicContact CD1-CD1 4.22Å; I690-L702 HydrophobicContact CD1-CD2 4.32Å; I690-L702 HydrophobicContact CD1-CG 4.34Å; L698-L702 PolarHBondContact O-N 3.4Å; W699-L702 HydrophobicContact CE3-CD2 3.86Å; W699-L702 HydrophobicContact CZ3-CD2 3.74Å; W699-L702 PolarHBondContact O-N 3.06Å; R700-L702 VanDerWaalsContact C-N 3.27Å; R700-L702 PolarHBondContact O-N 3.31Å; L702-E704 VanDerWaalsContact C-N 3.28Å; L702-E704 PolarHBondContact O-N 3.13Å; L702-A705 PolarHBondContact O-N 3.37Å; L702-A706 VanDerWaalsContact O-CB 3.29Å; L702-A706 WeakPolarHBondContact O-CB 3.16Å; L702-A706 PolarHBondContact O-N 2.92Å; L702-T714 HydrophobicContact CD2-CG2 4.47Å; L702-A718 HydrophobicContact CB-CB 4.5Å; L702-A718 HydrophobicContact CD2-CB 4.32Å
703	A	88.4	Confident	87.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-41	177.1	0	0	0	0	0	111.4	W699 R700 A706 L707 A718 F719	W699-A703 WeakPolarHBondContact O-CB 3.39Å; W699-A703 PolarHBondContact O-N 3.34Å; R700-A703 WeakPolarHBondContact O-CB 3.41Å; R700-A703 PolarHBondContact O-N 3.12Å; R700-A703 VanDerWaalsContact O-N 3.12Å; A703-A706 PolarHBondContact O-N 3.48Å; A703-L707 WeakPolarHBondContact O-CB 3.45Å; A703-L707 WeakPolarHBondContact O-CG 3.36Å; A703-L707 PolarHBondContact O-N 3.19Å; A703-A718 HydrophobicContact CB-CB 3.63Å; A703-F719 HydrophobicContact CB-CD1 3.87Å; A703-F719 HydrophobicContact CB-CD2 4.08Å; A703-F719 HydrophobicContact CB-CE1 3.67Å; A703-F719 HydrophobicContact CB-CE2 3.88Å; A703-F719 HydrophobicContact CB-CG 4.06Å; A703-F719 HydrophobicContact CB-CZ 3.67Å
704	E	87.6	Confident	87.4	Confident	42 Å²	42	46.3 Å²	46.3	20%	0.196	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-46.6	178.4	-70	-179.4	177.6	0	0	111.2	R700 L701 L702 A706 L707 Q708 F751	R700-E704 HydrophobicContact CG-CG 4.29Å; R700-E704 WeakPolarHBondContact CG-OE1 3.29Å; R700-E704 IonicContact NE-OE1 3.82Å; R700-E704 PolarHBondContact NE-OE1 2.87Å; R700-E704 VanDerWaalsContact NE-OE1 3.16Å; R700-E704 WeakPolarHBondContact O-CB 3.27Å; R700-E704 WeakPolarHBondContact O-CG 3.41Å; R700-E704 PolarHBondContact O-N 2.87Å; L701-E704 PolarHBondContact O-N 3.44Å; L702-E704 VanDerWaalsContact C-N 3.28Å; L702-E704 PolarHBondContact O-N 3.13Å; E704-A706 PolarHBondContact O-N 3.28Å; E704-L707 PolarHBondContact O-N 3.44Å; E704-Q708 WeakPolarHBondContact O-CG 3.43Å; E704-Q708 PolarHBondContact O-N 3.33Å; E704-Q708 VanDerWaalsContact O-N 3.11Å; E704-F751 HydrophobicContact CB-CE1 3.53Å; E704-F751 HydrophobicContact CB-CZ 3.83Å; E704-F751 HydrophobicContact CG-CE1 3.54Å; E704-F751 HydrophobicContact CG-CZ 4.18Å; E704-F751 VanDerWaalsContact O-CZ 3.28Å; E704-F751 WeakPolarHBondContact O-CZ 3.38Å
705	A	87.8	Confident	87.7	Confident	13 Å²	13	41.9 Å²	41.9	11%	0.107	20%	0.195	C	C	.	.	H	α-helix	trans	-64.7	-38.1	175.4	0	0	0	0	0	112.9	I678 L701 L702 Q708 K709	I678-A705 HydrophobicContact CD1-CB 4.16Å; I678-A705 HydrophobicContact CG2-CB 3.46Å; I678-A705 VanDerWaalsContact CG2-CB 3.46Å; L701-A705 WeakPolarHBondContact O-CB 3.21Å; L701-A705 PolarHBondContact O-N 3.12Å; L702-A705 PolarHBondContact O-N 3.37Å; A705-Q708 PolarHBondContact O-N 3.03Å; A705-K709 PolarHBondContact O-N 2.95Å
706	A	89	Confident	87.9	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.2	-41.6	176.2	0	0	0	0	0	111.9	I683 L702 A703 E704 Q708 K709 L710 D711 T714 A715	I683-A706 HydrophobicContact CD1-CB 4.28Å; L702-A706 VanDerWaalsContact O-CB 3.29Å; L702-A706 WeakPolarHBondContact O-CB 3.16Å; L702-A706 PolarHBondContact O-N 2.92Å; A703-A706 PolarHBondContact O-N 3.48Å; E704-A706 PolarHBondContact O-N 3.28Å; A706-Q708 PolarHBondContact O-N 2.88Å; A706-K709 CarbonylContact O-C 3.59Å; A706-K709 PolarHBondContact O-N 2.7Å; A706-L710 PolarHBondContact O-N 2.99Å; A706-L710 VanDerWaalsContact O-N 3.08Å; A706-D711 HydrophobicContact CB-CB 4.33Å; A706-D711 PolarHBondContact O-N 3.34Å; A706-T714 HydrophobicContact CB-CG2 4.36Å; A706-A715 HydrophobicContact CB-CB 3.97Å
707	L	88.6	Confident	88	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.7	-42.4	174	-81.9	178.4	0	0	0	112.5	A703 E704 K709 L710 L712 A715 F719 F730 V731 L734 V747 Y750 F751	A703-L707 WeakPolarHBondContact O-CB 3.45Å; A703-L707 WeakPolarHBondContact O-CG 3.36Å; A703-L707 PolarHBondContact O-N 3.19Å; E704-L707 PolarHBondContact O-N 3.44Å; L707-K709 PolarHBondContact O-N 3.44Å; L707-L710 PolarHBondContact O-N 2.89Å; L707-L712 HydrophobicContact CD2-CD2 4.41Å; L707-A715 HydrophobicContact CD2-CB 4.06Å; L707-A715 HydrophobicContact CG-CB 3.99Å; L707-F719 HydrophobicContact CD1-CE2 3.66Å; L707-F719 HydrophobicContact CD1-CZ 3.62Å; L707-F719 HydrophobicContact CG-CE2 4.12Å; L707-F719 HydrophobicContact CG-CZ 4.46Å; L707-F730 HydrophobicContact CD1-CD1 4.49Å; L707-F730 HydrophobicContact CD1-CE1 4.41Å; L707-V731 HydrophobicContact CD2-CG2 3.92Å; L707-L734 HydrophobicContact CD2-CD1 3.85Å; L707-V747 HydrophobicContact CB-CG1 4.21Å; L707-Y750 HydrophobicContact CD1-CD1 4.08Å; L707-Y750 HydrophobicContact CD1-CE1 4.02Å; L707-F751 HydrophobicContact CB-CE2 4.17Å; L707-F751 HydrophobicContact CB-CZ 4.05Å; L707-F751 HydrophobicContact CD1-CZ 4.32Å
708	Q	86	Confident	88	Confident	88 Å²	88	43.3 Å²	43.3	41%	0.411	20%	0.197	S	C	.	.	H	α-helix	trans	-63.2	-31.1	177.7	-73.1	178.2	2.4	0	0	113	E704 A705 A706 L710 F751	E704-Q708 WeakPolarHBondContact O-CG 3.43Å; E704-Q708 PolarHBondContact O-N 3.33Å; E704-Q708 VanDerWaalsContact O-N 3.11Å; A705-Q708 PolarHBondContact O-N 3.03Å; A706-Q708 PolarHBondContact O-N 2.88Å; Q708-L710 VanDerWaalsContact C-N 3.34Å; Q708-F751 HydrophobicContact CG-CD2 4.3Å; Q708-F751 HydrophobicContact CG-CE2 3.6Å; Q708-F751 HydrophobicContact CG-CZ 3.99Å
709	K	85.4	Confident	88	Confident	132 Å²	132	43.2 Å²	43.2	57%	0.574	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.2	7.5	174	-61.6	-167.4	-172.5	173	0	113.3	I683 A705 A706 L707 D711	I683-K709 HydrophobicContact CD1-CB 4.33Å; I683-K709 HydrophobicContact CD1-CD 3.78Å; I683-K709 HydrophobicContact CD1-CG 4.33Å; I683-K709 HydrophobicContact CG1-CD 4.46Å; A705-K709 PolarHBondContact O-N 2.95Å; A706-K709 CarbonylContact O-C 3.59Å; A706-K709 PolarHBondContact O-N 2.7Å; L707-K709 PolarHBondContact O-N 3.44Å; K709-D711 PolarHBondContact O-N 3.32Å
710	L	85.3	Confident	88	Confident	36 Å²	36	46.1 Å²	46.1	19%	0.188	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	23.3	-176.9	-60.4	173.2	0	0	0	114.9	A706 L707 Q708 L712 E740 K743 V747	A706-L710 PolarHBondContact O-N 2.99Å; A706-L710 VanDerWaalsContact O-N 3.08Å; L707-L710 PolarHBondContact O-N 2.89Å; Q708-L710 VanDerWaalsContact C-N 3.34Å; L710-L712 PolarHBondContact O-N 3.23Å; L710-E740 HydrophobicContact CD1-CG 3.5Å; L710-K743 HydrophobicContact CD2-CB 4.01Å; L710-V747 HydrophobicContact CD2-CG2 4.19Å
711	D	88	Confident	87.9	Confident	58 Å²	58	47.4 Å²	47.4	31%	0.31	22%	0.222	S	C	.	.			trans	-80.5	82.2	171.6	-176.7	0.3	0	0	0	110.3	A706 K709 Y713 T714 A715	A706-D711 HydrophobicContact CB-CB 4.33Å; A706-D711 PolarHBondContact O-N 3.34Å; K709-D711 PolarHBondContact O-N 3.32Å; D711-Y713 VanDerWaalsContact C-N 3.26Å; D711-Y713 PolarHBondContact O-N 3.08Å; D711-Y713 PolarHBondContact OD1-N 2.89Å; D711-T714 VanDerWaalsContact CG-OG1 3.29Å; D711-T714 PolarHBondContact OD1-N 3.17Å; D711-T714 PolarHBondContact OD1-OG1 3.45Å; D711-T714 VanDerWaalsContact OD2-CB 3.24Å; D711-T714 WeakPolarHBondContact OD2-CB 3.29Å; D711-T714 PolarHBondContact OD2-OG1 3.33Å; D711-A715 VanDerWaalsContact O-CB 3.31Å; D711-A715 WeakPolarHBondContact O-CB 3.33Å; D711-A715 PolarHBondContact O-N 3.11Å; D711-A715 VanDerWaalsContact O-N 3.09Å
712	L	89	Confident	87.6	Confident	42 Å²	42	47.9 Å²	47.9	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-28.9	-176	-57.8	-177.7	0	0	0	113.1	L707 L710 E716 V731 L734	L707-L712 HydrophobicContact CD2-CD2 4.41Å; L710-L712 PolarHBondContact O-N 3.23Å; L712-E716 WeakPolarHBondContact O-CB 3.45Å; L712-E716 PolarHBondContact O-N 3.01Å; L712-V731 HydrophobicContact CB-CG1 3.99Å; L712-V731 HydrophobicContact CD2-CG1 4.29Å; L712-L734 HydrophobicContact CD2-CB 4.26Å; L712-L734 HydrophobicContact CD2-CD1 4.23Å
713	Y	89	Confident	87.5	Confident	159 Å²	159	55.7 Å²	55.7	62%	0.624	26%	0.26	S	S	*	.	H	α-helix	trans	-70.7	-52.4	-178.1	177.5	-99.4	0	0	0	110.9	D711 A715 E716 Q717	D711-Y713 VanDerWaalsContact C-N 3.26Å; D711-Y713 PolarHBondContact O-N 3.08Å; D711-Y713 PolarHBondContact OD1-N 2.89Å; Y713-A715 VanDerWaalsContact C-N 3.29Å; Y713-A715 PolarHBondContact O-N 2.94Å; Y713-E716 PolarHBondContact O-N 2.93Å; Y713-Q717 HydrophobicContact CE1-CG 4.44Å; Y713-Q717 WeakPolarHBondContact O-CG 3.41Å; Y713-Q717 PolarHBondContact O-N 3.28Å; Y713-Q717 VanDerWaalsContact O-N 3.09Å; Y713-Q717 PolarHBondContact OH-NE2 3.45Å
714	T	88.8	Confident	87.3	Confident	24 Å²	24	57.4 Å²	57.4	15%	0.147	27%	0.269	C	S	.	.	H	α-helix	trans	-64.8	-36.6	177.5	-52.3	0	0	0	0	111	I683 L702 A706 D711 Q717 A718	I683-T714 HydrophobicContact CG2-CG2 3.8Å; L702-T714 HydrophobicContact CD2-CG2 4.47Å; A706-T714 HydrophobicContact CB-CG2 4.36Å; D711-T714 VanDerWaalsContact CG-OG1 3.29Å; D711-T714 PolarHBondContact OD1-N 3.17Å; D711-T714 PolarHBondContact OD1-OG1 3.45Å; D711-T714 VanDerWaalsContact OD2-CB 3.24Å; D711-T714 WeakPolarHBondContact OD2-CB 3.29Å; D711-T714 PolarHBondContact OD2-OG1 3.33Å; T714-Q717 PolarHBondContact O-N 3.2Å; T714-A718 VanDerWaalsContact O-CB 3.28Å; T714-A718 WeakPolarHBondContact O-CB 3.26Å; T714-A718 PolarHBondContact O-N 3.22Å
715	A	88.6	Confident	87.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-45.5	174.5	0	0	0	0	0	112.7	A706 L707 D711 Y713 A718 F719 V731	A706-A715 HydrophobicContact CB-CB 3.97Å; L707-A715 HydrophobicContact CD2-CB 4.06Å; L707-A715 HydrophobicContact CG-CB 3.99Å; D711-A715 VanDerWaalsContact O-CB 3.31Å; D711-A715 WeakPolarHBondContact O-CB 3.33Å; D711-A715 PolarHBondContact O-N 3.11Å; D711-A715 VanDerWaalsContact O-N 3.09Å; Y713-A715 VanDerWaalsContact C-N 3.29Å; Y713-A715 PolarHBondContact O-N 2.94Å; A715-A718 PolarHBondContact O-N 2.92Å; A715-F719 HydrophobicContact CB-CE2 4.38Å; A715-F719 WeakPolarHBondContact O-CD2 3.4Å; A715-F719 WeakPolarHBondContact O-CG 3.5Å; A715-F719 PolarHBondContact O-N 3.18Å; A715-V731 HydrophobicContact CB-CG2 4.18Å
716	E	88.4	Confident	87.2	Confident	66 Å²	66	69.7 Å²	69.7	31%	0.308	32%	0.318	S	S	.	.	H	α-helix	trans	-62.1	-45.9	177.1	-173.7	169.9	-162.8	0	0	111.3	L712 Y713 A718 F719 V720 V731 K732	L712-E716 WeakPolarHBondContact O-CB 3.45Å; L712-E716 PolarHBondContact O-N 3.01Å; Y713-E716 PolarHBondContact O-N 2.93Å; E716-A718 PolarHBondContact O-N 3.39Å; E716-F719 PolarHBondContact O-N 3.13Å; E716-V720 VanDerWaalsContact O-CG2 3.24Å; E716-V720 WeakPolarHBondContact O-CG2 3.45Å; E716-V720 PolarHBondContact O-N 3.32Å; E716-V731 HydrophobicContact CB-CG1 4.15Å; E716-K732 WeakPolarHBondContact OE1-CE 3.37Å; E716-K732 IonicContact OE1-NZ 3.98Å
717	Q	88.8	Confident	87	Confident	95 Å²	95	69.7 Å²	69.7	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-59.5	-45.4	177.2	-71.2	-167.7	-22.3	0	0	112.3	Y713 T714 V720 R721	Y713-Q717 HydrophobicContact CE1-CG 4.44Å; Y713-Q717 WeakPolarHBondContact O-CG 3.41Å; Y713-Q717 PolarHBondContact O-N 3.28Å; Y713-Q717 VanDerWaalsContact O-N 3.09Å; Y713-Q717 PolarHBondContact OH-NE2 3.45Å; T714-Q717 PolarHBondContact O-N 3.2Å; Q717-V720 PolarHBondContact O-N 3.41Å; Q717-R721 WeakPolarHBondContact O-CG 3.28Å; Q717-R721 PolarHBondContact O-N 2.88Å
718	A	87.8	Confident	87	Confident	1 Å²	1	70.9 Å²	70.9	1%	0.008	32%	0.324	C	S	.	.	H	α-helix	trans	-64.8	-42.6	178.9	0	0	0	0	0	111.8	W699 L702 A703 T714 A715 E716 V720 R721 C722	W699-A718 HydrophobicContact CE3-CB 4.17Å; L702-A718 HydrophobicContact CB-CB 4.5Å; L702-A718 HydrophobicContact CD2-CB 4.32Å; A703-A718 HydrophobicContact CB-CB 3.63Å; T714-A718 VanDerWaalsContact O-CB 3.28Å; T714-A718 WeakPolarHBondContact O-CB 3.26Å; T714-A718 PolarHBondContact O-N 3.22Å; A715-A718 PolarHBondContact O-N 2.92Å; E716-A718 PolarHBondContact O-N 3.39Å; A718-V720 VanDerWaalsContact C-N 3.34Å; A718-V720 PolarHBondContact O-N 3.38Å; A718-R721 PolarHBondContact O-N 3.44Å; A718-C722 PolarHBondContact O-N 2.92Å; A718-C722 PolarHBondContact O-SG 2.78Å
719	F	89.1	Confident	87.1	Confident	1 Å²	1	72.9 Å²	72.9	0%	0.004	33%	0.331	C	S	.	.	H	α-helix	trans	-65.4	-33.5	174.6	-73.7	-55.3	0	0	0	113.6	A703 L707 A715 E716 C722 K723 D724 I728 V731 Y750	A703-F719 HydrophobicContact CB-CD1 3.87Å; A703-F719 HydrophobicContact CB-CD2 4.08Å; A703-F719 HydrophobicContact CB-CE1 3.67Å; A703-F719 HydrophobicContact CB-CE2 3.88Å; A703-F719 HydrophobicContact CB-CG 4.06Å; A703-F719 HydrophobicContact CB-CZ 3.67Å; L707-F719 HydrophobicContact CD1-CE2 3.66Å; L707-F719 HydrophobicContact CD1-CZ 3.62Å; L707-F719 HydrophobicContact CG-CE2 4.12Å; L707-F719 HydrophobicContact CG-CZ 4.46Å; A715-F719 HydrophobicContact CB-CE2 4.38Å; A715-F719 WeakPolarHBondContact O-CD2 3.4Å; A715-F719 WeakPolarHBondContact O-CG 3.5Å; A715-F719 PolarHBondContact O-N 3.18Å; E716-F719 PolarHBondContact O-N 3.13Å; F719-C722 CarbonylContact O-C 3.54Å; F719-C722 PolarHBondContact O-N 3.09Å; F719-K723 PolarHBondContact O-N 3.02Å; F719-D724 HydrophobicContact CD1-CB 3.95Å; F719-D724 PolarHBondContact O-N 3.31Å; F719-I728 HydrophobicContact CB-CG1 3.79Å; F719-V731 HydrophobicContact CD2-CG2 3.83Å; F719-V731 HydrophobicContact CE2-CG2 3.81Å; F719-Y750 HydrophobicContact CZ-CE1 4.25Å
720	V	88.8	Confident	87.2	Confident	80 Å²	80	67.6 Å²	67.6	49%	0.485	31%	0.308	S	S	.	.	H	α-helix	trans	-62.7	-44.3	172.6	169.7	0	0	0	0	110.5	E716 Q717 A718 C722 K723 I728	E716-V720 VanDerWaalsContact O-CG2 3.24Å; E716-V720 WeakPolarHBondContact O-CG2 3.45Å; E716-V720 PolarHBondContact O-N 3.32Å; Q717-V720 PolarHBondContact O-N 3.41Å; A718-V720 VanDerWaalsContact C-N 3.34Å; A718-V720 PolarHBondContact O-N 3.38Å; V720-C722 VanDerWaalsContact C-N 3.3Å; V720-C722 PolarHBondContact O-N 2.88Å; V720-K723 PolarHBondContact O-N 3.44Å; V720-K723 VanDerWaalsContact O-N 3.09Å; V720-I728 HydrophobicContact CB-CD1 4.48Å; V720-I728 HydrophobicContact CG2-CD1 3.66Å; V720-I728 HydrophobicContact CG2-CG1 4.16Å
721	R	85	Confident	87.4	Confident	141 Å²	141	66 Å²	66	53%	0.532	30%	0.3	S	S	.	.	H	α-helix	trans	-65.4	-32.3	175.9	-64.2	-75.9	-179	88	-0.8	111.9	E691 W699 Q717 A718 K723	E691-R721 IonicContact OE1-CZ 3.51Å; E691-R721 IonicContact OE1-NH1 3.22Å; E691-R721 PolarHBondContact OE1-NH1 3.37Å; E691-R721 VanDerWaalsContact OE1-NH1 3.09Å; E691-R721 IonicContact OE1-NH2 2.81Å; W699-R721 HydrophobicContact CB-CB 4.47Å; W699-R721 HydrophobicContact CD2-CB 3.77Å; W699-R721 HydrophobicContact CD2-CG 4.26Å; W699-R721 HydrophobicContact CE3-CB 4.18Å; W699-R721 HydrophobicContact CE3-CG 4.34Å; W699-R721 HydrophobicContact CG-CB 3.91Å; W699-R721 HydrophobicContact CH2-CG 4.4Å; W699-R721 HydrophobicContact CZ2-CG 4.34Å; W699-R721 HydrophobicContact CZ3-CG 4.42Å; Q717-R721 WeakPolarHBondContact O-CG 3.28Å; Q717-R721 PolarHBondContact O-N 2.88Å; A718-R721 PolarHBondContact O-N 3.44Å; R721-K723 VanDerWaalsContact C-N 3.31Å; R721-K723 PolarHBondContact O-N 3.23Å
722	C	80.9	Confident	87.3	Confident	27 Å²	27	69 Å²	69	18%	0.182	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.7	171.6	-66.5	0	0	0	0	115.1	P696 W699 R700 A718 F719 V720 D724	P696-C722 PolarHBondContact O-SG 3.47Å; W699-C722 WeakPolarHBondContact CB-SG 3.11Å; R700-C722 PolarHBondContact N-SG 3.41Å; A718-C722 PolarHBondContact O-N 2.92Å; A718-C722 PolarHBondContact O-SG 2.78Å; F719-C722 CarbonylContact O-C 3.54Å; F719-C722 PolarHBondContact O-N 3.09Å; V720-C722 VanDerWaalsContact C-N 3.3Å; V720-C722 PolarHBondContact O-N 2.88Å; C722-D724 HydrophobicContact CB-CB 4.19Å; C722-D724 PolarHBondContact O-N 2.95Å
723	K	86.3	Confident	87.2	Confident	165 Å²	165	73.5 Å²	73.5	72%	0.717	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	28.5	-167.2	-54.5	178	-179.2	175.1	0	113.6	F719 V720 R721 Y725	F719-K723 PolarHBondContact O-N 3.02Å; V720-K723 PolarHBondContact O-N 3.44Å; V720-K723 VanDerWaalsContact O-N 3.09Å; R721-K723 VanDerWaalsContact C-N 3.31Å; R721-K723 PolarHBondContact O-N 3.23Å; K723-Y725 WeakPolarHBondContact O-CD2 3.22Å; K723-Y725 PolarHBondContact O-N 3.04Å
724	D	85.4	Confident	87.2	Confident	36 Å²	36	66 Å²	66	19%	0.193	30%	0.295	C	S	.	.			trans	-87.9	91.2	177.9	-173.8	-9.1	0	0	0	110.7	F719 C722 Q726 G727 I728	F719-D724 HydrophobicContact CD1-CB 3.95Å; F719-D724 PolarHBondContact O-N 3.31Å; C722-D724 HydrophobicContact CB-CB 4.19Å; C722-D724 PolarHBondContact O-N 2.95Å; D724-Q726 PolarHBondContact O-N 3.49Å; D724-Q726 PolarHBondContact OD1-N 3.28Å; D724-G727 PolarHBondContact O-N 3.12Å; D724-G727 PolarHBondContact OD1-N 3.37Å; D724-I728 WeakPolarHBondContact O-CG1 3.38Å; D724-I728 PolarHBondContact O-N 3.17Å
725	Y	86.5	Confident	86.9	Confident	178 Å²	178	67 Å²	67	70%	0.698	31%	0.311	S	S	*	.	H	α-helix	trans	-63.1	-29.1	179.1	-64.7	-78.8	0	0	0	113.6	K723 K729	K723-Y725 WeakPolarHBondContact O-CD2 3.22Å; K723-Y725 PolarHBondContact O-N 3.04Å; Y725-K729 WeakPolarHBondContact O-CB 3.2Å; Y725-K729 PolarHBondContact O-N 2.95Å
726	Q	85.6	Confident	86.9	Confident	135 Å²	135	75.3 Å²	75.3	63%	0.631	35%	0.347	S	S	*	.	H	α-helix	trans	-72.6	-43.5	179.6	-62.7	-59.2	-27.5	0	0	110.2	D724 I728 K729 F730	D724-Q726 PolarHBondContact O-N 3.49Å; D724-Q726 PolarHBondContact OD1-N 3.28Å; Q726-I728 VanDerWaalsContact C-N 3.34Å; Q726-I728 PolarHBondContact O-N 3.05Å; Q726-K729 PolarHBondContact O-N 3.44Å; Q726-F730 VanDerWaalsContact O-CB 3.31Å; Q726-F730 WeakPolarHBondContact O-CB 3.35Å; Q726-F730 PolarHBondContact O-N 3.45Å
727	G	85.9	Confident	86.7	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-55.7	-46	172	0	0	0	0	0	112.3	D724 K729 F730 V731	D724-G727 PolarHBondContact O-N 3.12Å; D724-G727 PolarHBondContact OD1-N 3.37Å; G727-K729 PolarHBondContact O-N 3.27Å; G727-F730 WeakPolarHBondContact O-CB 3.48Å; G727-F730 PolarHBondContact O-N 3.46Å; G727-V731 WeakPolarHBondContact O-CG2 3.49Å; G727-V731 PolarHBondContact O-N 2.96Å
728	I	87.7	Confident	86.2	Confident	25 Å²	25	78.4 Å²	78.4	13%	0.128	37%	0.367	C	S	.	.	H	α-helix	trans	-62.2	-46.2	177.6	-61.9	165	0	0	0	111.5	F719 V720 D724 Q726 F730 V731 K732	F719-I728 HydrophobicContact CB-CG1 3.79Å; V720-I728 HydrophobicContact CB-CD1 4.48Å; V720-I728 HydrophobicContact CG2-CD1 3.66Å; V720-I728 HydrophobicContact CG2-CG1 4.16Å; D724-I728 WeakPolarHBondContact O-CG1 3.38Å; D724-I728 PolarHBondContact O-N 3.17Å; Q726-I728 VanDerWaalsContact C-N 3.34Å; Q726-I728 PolarHBondContact O-N 3.05Å; I728-F730 VanDerWaalsContact C-N 3.25Å; I728-F730 PolarHBondContact O-N 2.86Å; I728-V731 PolarHBondContact O-N 2.99Å; I728-K732 HydrophobicContact CG2-CD 4.32Å; I728-K732 WeakPolarHBondContact O-CG 3.42Å; I728-K732 PolarHBondContact O-N 3.35Å
729	K	87.7	Confident	86	Confident	130 Å²	130	80.4 Å²	80.4	57%	0.565	38%	0.381	S	S	*	.	H	α-helix	trans	-63.9	-35.4	178.5	-171.1	176.9	-179	179.4	0	111.3	Y725 Q726 G727 R733	Y725-K729 WeakPolarHBondContact O-CB 3.2Å; Y725-K729 PolarHBondContact O-N 2.95Å; Q726-K729 PolarHBondContact O-N 3.44Å; G727-K729 PolarHBondContact O-N 3.27Å; K729-R733 WeakPolarHBondContact O-CB 3.18Å; K729-R733 PolarHBondContact O-N 3.2Å
730	F	88.3	Confident	85.7	Confident	20 Å²	20	87 Å²	87	9%	0.088	41%	0.412	C	S	.	.	H	α-helix	trans	-67.2	-47.9	176	180	-111.9	0	0	0	111.8	L707 Q726 G727 I728 K732 R733 L734 E746 V747 Y750	L707-F730 HydrophobicContact CD1-CD1 4.49Å; L707-F730 HydrophobicContact CD1-CE1 4.41Å; Q726-F730 VanDerWaalsContact O-CB 3.31Å; Q726-F730 WeakPolarHBondContact O-CB 3.35Å; Q726-F730 PolarHBondContact O-N 3.45Å; G727-F730 WeakPolarHBondContact O-CB 3.48Å; G727-F730 PolarHBondContact O-N 3.46Å; I728-F730 VanDerWaalsContact C-N 3.25Å; I728-F730 PolarHBondContact O-N 2.86Å; F730-K732 VanDerWaalsContact C-N 3.3Å; F730-K732 PolarHBondContact O-N 2.88Å; F730-R733 CarbonylContact O-C 3.47Å; F730-R733 WeakPolarHBondContact O-CA 3.42Å; F730-R733 WeakPolarHBondContact O-CB 3.5Å; F730-R733 PolarHBondContact O-N 3.25Å; F730-L734 HydrophobicContact CD1-CD1 3.84Å; F730-L734 HydrophobicContact CD1-CG 4.38Å; F730-L734 HydrophobicContact CE1-CD1 3.34Å; F730-L734 HydrophobicContact CE1-CD2 4.44Å; F730-L734 HydrophobicContact CE1-CG 3.96Å; F730-L734 HydrophobicContact CE2-CD1 4.43Å; F730-L734 HydrophobicContact CE2-CD2 4.28Å; F730-L734 HydrophobicContact CE2-CG 4.16Å; F730-L734 HydrophobicContact CZ-CD1 3.66Å; F730-L734 HydrophobicContact CZ-CD2 3.89Å; F730-L734 HydrophobicContact CZ-CG 3.8Å; F730-L734 PolarHBondContact O-N 2.72Å; F730-E746 HydrophobicContact CE2-CB 4.32Å; F730-E746 HydrophobicContact CZ-CB 4.3Å; F730-E746 WeakPolarHBondContact CZ-O 3.31Å; F730-V747 HydrophobicContact CE1-CG2 4.38Å; F730-V747 HydrophobicContact CZ-CG2 4.46Å; F730-Y750 HydrophobicContact CB-CD2 4.35Å; F730-Y750 HydrophobicContact CB-CE2 4.14Å; F730-Y750 HydrophobicContact CD1-CD1 4.21Å; F730-Y750 AromaticContact CD1-CD2 3.52Å; F730-Y750 HydrophobicContact CD1-CD2 3.52Å; F730-Y750 HydrophobicContact CD1-CE1 4.49Å; F730-Y750 AromaticContact CD1-CE2 3.84Å; F730-Y750 HydrophobicContact CD1-CE2 3.84Å; F730-Y750 AromaticContact CD1-CG 3.73Å; F730-Y750 HydrophobicContact CD1-CG 3.73Å; F730-Y750 HydrophobicContact CD2-CD2 4.01Å; F730-Y750 VanDerWaalsContact CE1-CB 3.49Å; F730-Y750 HydrophobicContact CE1-CD1 4.03Å; F730-Y750 AromaticContact CE1-CD2 3.7Å; F730-Y750 HydrophobicContact CE1-CD2 3.7Å; F730-Y750 HydrophobicContact CE1-CE2 4.43Å; F730-Y750 AromaticContact CE1-CG 3.47Å; F730-Y750 HydrophobicContact CE1-CG 3.47Å; F730-Y750 VanDerWaalsContact CE1-CG 3.47Å; F730-Y750 HydrophobicContact CE2-CD2 4.2Å; F730-Y750 HydrophobicContact CE2-CG 4.46Å; F730-Y750 AromaticContact CG-CD2 3.69Å; F730-Y750 HydrophobicContact CG-CD2 3.69Å; F730-Y750 AromaticContact CG-CE2 3.95Å; F730-Y750 HydrophobicContact CG-CE2 3.95Å; F730-Y750 HydrophobicContact CG-CG 4.32Å; F730-Y750 VanDerWaalsContact CZ-CB 3.46Å; F730-Y750 HydrophobicContact CZ-CD2 4.07Å; F730-Y750 AromaticContact CZ-CG 3.9Å; F730-Y750 HydrophobicContact CZ-CG 3.9Å
731	V	89	Confident	85.4	Confident	4 Å²	4	86.1 Å²	86.1	2%	0.024	41%	0.41	C	S	.	.	H	α-helix	trans	-57	-43.8	174.1	173.8	0	0	0	0	111.3	L707 L712 A715 E716 F719 G727 I728 R733 L734 G735	L707-V731 HydrophobicContact CD2-CG2 3.92Å; L712-V731 HydrophobicContact CB-CG1 3.99Å; L712-V731 HydrophobicContact CD2-CG1 4.29Å; A715-V731 HydrophobicContact CB-CG2 4.18Å; E716-V731 HydrophobicContact CB-CG1 4.15Å; F719-V731 HydrophobicContact CD2-CG2 3.83Å; F719-V731 HydrophobicContact CE2-CG2 3.81Å; G727-V731 WeakPolarHBondContact O-CG2 3.49Å; G727-V731 PolarHBondContact O-N 2.96Å; I728-V731 PolarHBondContact O-N 2.99Å; V731-R733 VanDerWaalsContact C-N 3.29Å; V731-R733 PolarHBondContact O-N 3.02Å; V731-L734 PolarHBondContact O-N 3.13Å; V731-G735 PolarHBondContact O-N 2.73Å
732	K	87.4	Confident	85.3	Confident	119 Å²	119	80.8 Å²	80.8	52%	0.517	39%	0.391	S	S	.	.	H	α-helix	trans	-65.1	-30.2	175.4	-71.7	-179.7	-177.8	-179.4	0	113.4	E716 I728 F730	E716-K732 WeakPolarHBondContact OE1-CE 3.37Å; E716-K732 IonicContact OE1-NZ 3.98Å; I728-K732 HydrophobicContact CG2-CD 4.32Å; I728-K732 WeakPolarHBondContact O-CG 3.42Å; I728-K732 PolarHBondContact O-N 3.35Å; F730-K732 VanDerWaalsContact C-N 3.3Å; F730-K732 PolarHBondContact O-N 2.88Å
733	R	87.1	Confident	85.6	Confident	138 Å²	138	81.7 Å²	81.7	52%	0.521	39%	0.392	S	S	.	.	H	α-helix	trans	-72.7	-44.7	173.4	-176.3	-175.1	-67.3	169.1	-2	110.8	K729 F730 V731 G735 K736	K729-R733 WeakPolarHBondContact O-CB 3.18Å; K729-R733 PolarHBondContact O-N 3.2Å; F730-R733 CarbonylContact O-C 3.47Å; F730-R733 WeakPolarHBondContact O-CA 3.42Å; F730-R733 WeakPolarHBondContact O-CB 3.5Å; F730-R733 PolarHBondContact O-N 3.25Å; V731-R733 VanDerWaalsContact C-N 3.29Å; V731-R733 PolarHBondContact O-N 3.02Å; R733-G735 VanDerWaalsContact C-N 3.27Å; R733-G735 PolarHBondContact O-N 3.17Å; R733-K736 WeakPolarHBondContact O-CB 3.46Å; R733-K736 PolarHBondContact O-N 3.32Å
734	L	87.1	Confident	85.5	Confident	1 Å²	1	77.3 Å²	77.3	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-58.3	-40.1	175.4	-74.3	173.7	0	0	0	111.7	L707 L712 F730 V731 K736 L737 K743 E746 V747	L707-L734 HydrophobicContact CD2-CD1 3.85Å; L712-L734 HydrophobicContact CD2-CB 4.26Å; L712-L734 HydrophobicContact CD2-CD1 4.23Å; F730-L734 HydrophobicContact CD1-CD1 3.84Å; F730-L734 HydrophobicContact CD1-CG 4.38Å; F730-L734 HydrophobicContact CE1-CD1 3.34Å; F730-L734 HydrophobicContact CE1-CD2 4.44Å; F730-L734 HydrophobicContact CE1-CG 3.96Å; F730-L734 HydrophobicContact CE2-CD1 4.43Å; F730-L734 HydrophobicContact CE2-CD2 4.28Å; F730-L734 HydrophobicContact CE2-CG 4.16Å; F730-L734 HydrophobicContact CZ-CD1 3.66Å; F730-L734 HydrophobicContact CZ-CD2 3.89Å; F730-L734 HydrophobicContact CZ-CG 3.8Å; F730-L734 PolarHBondContact O-N 2.72Å; V731-L734 PolarHBondContact O-N 3.13Å; L734-K736 PolarHBondContact O-N 3.13Å; L734-K736 VanDerWaalsContact O-N 3.15Å; L734-L737 HydrophobicContact CD2-CD1 4.15Å; L734-L737 PolarHBondContact O-N 3.49Å; L734-L737 VanDerWaalsContact O-N 3.08Å; L734-K743 HydrophobicContact CD2-CB 4.18Å; L734-K743 HydrophobicContact CD2-CG 4.36Å; L734-K743 VanDerWaalsContact O-CE 3.25Å; L734-K743 WeakPolarHBondContact O-CE 3.23Å; L734-E746 HydrophobicContact CD2-CB 3.75Å; L734-V747 HydrophobicContact CD1-CG2 3.51Å; L734-V747 HydrophobicContact CD2-CG2 3.98Å; L734-V747 HydrophobicContact CG-CG2 4.42Å
735	G	83.9	Confident	85.5	Confident	46 Å²	46	75.6 Å²	75.6	47%	0.474	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.1	175.7	0	0	0	0	0	114.5	V731 R733	V731-G735 PolarHBondContact O-N 2.73Å; R733-G735 VanDerWaalsContact C-N 3.27Å; R733-G735 PolarHBondContact O-N 3.17Å
736	K	87.4	Confident	85.5	Confident	174 Å²	174	69.7 Å²	69.7	76%	0.757	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-13.9	177.3	-65.3	178.9	-178.8	-172	0	113.8	R733 L734	R733-K736 WeakPolarHBondContact O-CB 3.46Å; R733-K736 PolarHBondContact O-N 3.32Å; L734-K736 PolarHBondContact O-N 3.13Å; L734-K736 VanDerWaalsContact O-N 3.15Å
737	L	84.9	Confident	85.6	Confident	48 Å²	48	63.3 Å²	63.3	25%	0.251	31%	0.314	S	S	.	.			trans	-79.5	139.1	178.8	-62.4	173.5	0	0	0	109.8	L734 K743 E746	L734-L737 HydrophobicContact CD2-CD1 4.15Å; L734-L737 PolarHBondContact O-N 3.49Å; L734-L737 VanDerWaalsContact O-N 3.08Å; L737-K743 HydrophobicContact CB-CG 3.9Å; L737-K743 HydrophobicContact CD1-CG 4.33Å; L737-K743 WeakPolarHBondContact O-CE 3.5Å; L737-K743 PolarHBondContact O-NZ 3.3Å; L737-E746 HydrophobicContact CD1-CG 3.99Å
738	L	77.7	Confident	85.6	Confident	178 Å²	178	64.2 Å²	64.2	93%	0.932	32%	0.319	S	S	*	.			trans	-88.5	-35.1	-177.3	-66.1	170	0	0	0	112.8
739	S	83.8	Confident	85.4	Confident	43 Å²	43	63.6 Å²	63.6	30%	0.301	32%	0.319	S	S	.	.			trans	-86.8	132.7	-178.9	167.7	0	0	0	0	111.6	S741 M742 K743	S739-S741 PolarHBondContact OG-N 3.42Å; S739-M742 PolarHBondContact O-N 2.99Å; S739-M742 PolarHBondContact OG-N 3.09Å; S739-K743 WeakPolarHBondContact O-CG 3.31Å; S739-K743 PolarHBondContact O-N 3.35Å; S739-K743 VanDerWaalsContact O-N 3.13Å
740	E	83.2	Confident	85.3	Confident	138 Å²	138	60.9 Å²	60.9	65%	0.645	31%	0.306	S	S	*	.	H	α-helix	trans	-66.5	-40.9	175	-164.2	172.6	177.5	0	0	111.6	L710 M742 K743 Q744	L710-E740 HydrophobicContact CD1-CG 3.5Å; E740-M742 VanDerWaalsContact C-N 3.31Å; E740-M742 PolarHBondContact O-N 2.9Å; E740-K743 WeakPolarHBondContact O-CB 3.34Å; E740-K743 PolarHBondContact O-N 3.23Å; E740-K743 VanDerWaalsContact O-N 3.1Å; E740-Q744 PolarHBondContact O-N 3.39Å
741	S	82.3	Confident	85	Confident	63 Å²	63	62.2 Å²	62.2	44%	0.441	31%	0.312	S	S	.	.	H	α-helix	trans	-61.5	-36.8	174.6	-47.1	0	0	0	0	112.7	S739 Q744 A745	S739-S741 PolarHBondContact OG-N 3.42Å; S741-Q744 PolarHBondContact O-N 2.97Å; S741-A745 WeakPolarHBondContact O-CB 3.47Å; S741-A745 PolarHBondContact O-N 3.18Å
742	M	83.6	Confident	84.7	Confident	28 Å²	28	63.8 Å²	63.8	14%	0.138	33%	0.329	C	S	.	.	H	α-helix	trans	-66	-41.2	172.6	-75.2	-71.8	-67.1	0	0	112.1	S739 E740 Q744 A745 E746 Y761 M764 L769	S739-M742 PolarHBondContact O-N 2.99Å; S739-M742 PolarHBondContact OG-N 3.09Å; E740-M742 VanDerWaalsContact C-N 3.31Å; E740-M742 PolarHBondContact O-N 2.9Å; M742-Q744 VanDerWaalsContact C-N 3.32Å; M742-A745 PolarHBondContact O-N 3.24Å; M742-E746 WeakPolarHBondContact O-CB 3.4Å; M742-E746 WeakPolarHBondContact O-CG 3.46Å; M742-E746 PolarHBondContact O-N 2.91Å; M742-Y761 HydrophobicContact CE-CE1 4.36Å; M742-Y761 HydrophobicContact SD-CD1 4.4Å; M742-Y761 HydrophobicContact SD-CE1 4.01Å; M742-M764 HydrophobicContact CG-CE 3.44Å; M742-M764 VanDerWaalsContact CG-CE 3.44Å; M742-M764 HydrophobicContact CG-SD 4.1Å; M742-M764 HydrophobicContact SD-CE 3.62Å; M742-M764 HydrophobicContact SD-SD 3.99Å; M742-L769 HydrophobicContact CE-CD1 3.61Å; M742-L769 HydrophobicContact SD-CD1 3.97Å
743	K	86.2	Confident	84.6	Confident	47 Å²	47	64.2 Å²	64.2	20%	0.204	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-44.4	174.6	-68.4	174.1	-169.5	177.4	0	110.1	L710 L734 L737 S739 E740 E746 V747	L710-K743 HydrophobicContact CD2-CB 4.01Å; L734-K743 HydrophobicContact CD2-CB 4.18Å; L734-K743 HydrophobicContact CD2-CG 4.36Å; L734-K743 VanDerWaalsContact O-CE 3.25Å; L734-K743 WeakPolarHBondContact O-CE 3.23Å; L737-K743 HydrophobicContact CB-CG 3.9Å; L737-K743 HydrophobicContact CD1-CG 4.33Å; L737-K743 WeakPolarHBondContact O-CE 3.5Å; L737-K743 PolarHBondContact O-NZ 3.3Å; S739-K743 WeakPolarHBondContact O-CG 3.31Å; S739-K743 PolarHBondContact O-N 3.35Å; S739-K743 VanDerWaalsContact O-N 3.13Å; E740-K743 WeakPolarHBondContact O-CB 3.34Å; E740-K743 PolarHBondContact O-N 3.23Å; E740-K743 VanDerWaalsContact O-N 3.1Å; K743-E746 PolarHBondContact O-N 2.93Å; K743-V747 VanDerWaalsContact O-CB 3.32Å; K743-V747 WeakPolarHBondContact O-CB 3.36Å; K743-V747 WeakPolarHBondContact O-CG2 3.49Å; K743-V747 PolarHBondContact O-N 3.49Å
744	Q	85.5	Confident	84.6	Confident	73 Å²	73	60.7 Å²	60.7	34%	0.341	32%	0.316	S	S	.	.	H	α-helix	trans	-59.9	-46.7	177.4	-159.8	75.5	5.6	0	0	111.2	E740 S741 M742 V747 V748	E740-Q744 PolarHBondContact O-N 3.39Å; S741-Q744 PolarHBondContact O-N 2.97Å; M742-Q744 VanDerWaalsContact C-N 3.32Å; Q744-V747 PolarHBondContact O-N 3.29Å; Q744-V748 HydrophobicContact CG-CG2 4.5Å; Q744-V748 WeakPolarHBondContact O-CB 3.37Å; Q744-V748 WeakPolarHBondContact O-CG2 3.22Å; Q744-V748 PolarHBondContact O-N 3.45Å
745	A	84.8	Confident	84.5	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-62.4	-44.3	178.4	0	0	0	0	0	112.6	S741 M742 V748 G749 A757 T760 Y761	S741-A745 WeakPolarHBondContact O-CB 3.47Å; S741-A745 PolarHBondContact O-N 3.18Å; M742-A745 PolarHBondContact O-N 3.24Å; A745-V748 PolarHBondContact O-N 2.92Å; A745-G749 PolarHBondContact O-N 2.78Å; A745-A757 WeakPolarHBondContact O-CB 3.44Å; A745-T760 HydrophobicContact CB-CG2 3.84Å; A745-Y761 HydrophobicContact CB-CD1 4.08Å; A745-Y761 HydrophobicContact CB-CE1 3.65Å; A745-Y761 HydrophobicContact CB-CE2 4.19Å; A745-Y761 HydrophobicContact CB-CG 4.49Å
746	E	86.1	Confident	84.6	Confident	53 Å²	53	69.4 Å²	69.4	25%	0.248	34%	0.344	C	S	.	.	H	α-helix	trans	-65.8	-39.6	175.6	-74.1	-75.5	165.3	0	0	111.8	F730 L734 L737 M742 K743 G749 Y750 Y761	F730-E746 HydrophobicContact CE2-CB 4.32Å; F730-E746 HydrophobicContact CZ-CB 4.3Å; F730-E746 WeakPolarHBondContact CZ-O 3.31Å; L734-E746 HydrophobicContact CD2-CB 3.75Å; L737-E746 HydrophobicContact CD1-CG 3.99Å; M742-E746 WeakPolarHBondContact O-CB 3.4Å; M742-E746 WeakPolarHBondContact O-CG 3.46Å; M742-E746 PolarHBondContact O-N 2.91Å; K743-E746 PolarHBondContact O-N 2.93Å; E746-G749 PolarHBondContact O-N 3.2Å; E746-Y750 WeakPolarHBondContact O-CB 3.48Å; E746-Y750 PolarHBondContact O-N 3.48Å; E746-Y761 VanDerWaalsContact CD-OH 3.25Å; E746-Y761 WeakPolarHBondContact CG-OH 3.32Å; E746-Y761 PolarHBondContact OE1-OH 3.36Å
747	V	87.6	Confident	84.6	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-63.5	-48.2	175.4	168	0	0	0	0	110.8	L707 L710 F730 L734 K743 Q744 G749 Y750 F751	L707-V747 HydrophobicContact CB-CG1 4.21Å; L710-V747 HydrophobicContact CD2-CG2 4.19Å; F730-V747 HydrophobicContact CE1-CG2 4.38Å; F730-V747 HydrophobicContact CZ-CG2 4.46Å; L734-V747 HydrophobicContact CD1-CG2 3.51Å; L734-V747 HydrophobicContact CD2-CG2 3.98Å; L734-V747 HydrophobicContact CG-CG2 4.42Å; K743-V747 VanDerWaalsContact O-CB 3.32Å; K743-V747 WeakPolarHBondContact O-CB 3.36Å; K743-V747 WeakPolarHBondContact O-CG2 3.49Å; K743-V747 PolarHBondContact O-N 3.49Å; Q744-V747 PolarHBondContact O-N 3.29Å; V747-G749 VanDerWaalsContact C-N 3.27Å; V747-G749 PolarHBondContact O-N 3.11Å; V747-Y750 WeakPolarHBondContact O-CB 3.23Å; V747-Y750 PolarHBondContact O-N 3.01Å; V747-Y750 VanDerWaalsContact O-N 3.09Å; V747-F751 HydrophobicContact CG1-CD2 3.81Å; V747-F751 HydrophobicContact CG1-CE2 3.46Å; V747-F751 VanDerWaalsContact CG1-CE2 3.46Å; V747-F751 WeakPolarHBondContact O-CD2 3.27Å; V747-F751 PolarHBondContact O-N 3.21Å; V747-F751 VanDerWaalsContact O-N 3.09Å
748	V	85.6	Confident	84.7	Confident	19 Å²	19	59.1 Å²	59.1	12%	0.115	30%	0.297	C	S	.	.	H	α-helix	trans	-61.3	-39.2	176.8	171.8	0	0	0	0	110.5	Q744 A745 F751 R753 E756 A757	Q744-V748 HydrophobicContact CG-CG2 4.5Å; Q744-V748 WeakPolarHBondContact O-CB 3.37Å; Q744-V748 WeakPolarHBondContact O-CG2 3.22Å; Q744-V748 PolarHBondContact O-N 3.45Å; A745-V748 PolarHBondContact O-N 2.92Å; V748-F751 PolarHBondContact O-N 2.9Å; V748-R753 HydrophobicContact CG1-CB 3.77Å; V748-R753 WeakPolarHBondContact CG1-O 3.41Å; V748-R753 PolarHBondContact O-N 3.38Å; V748-E756 HydrophobicContact CG1-CB 3.47Å; V748-E756 VanDerWaalsContact CG1-CB 3.47Å; V748-A757 HydrophobicContact CB-CB 4.26Å; V748-A757 HydrophobicContact CG1-CB 3.93Å
749	G	84	Confident	85.1	Confident	12 Å²	12	57.5 Å²	57.5	12%	0.124	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-40.7	171.6	0	0	0	0	0	113.1	A745 E746 V747 F751 G752 F754	A745-G749 PolarHBondContact O-N 2.78Å; E746-G749 PolarHBondContact O-N 3.2Å; V747-G749 VanDerWaalsContact C-N 3.27Å; V747-G749 PolarHBondContact O-N 3.11Å; G749-F751 VanDerWaalsContact C-N 3.25Å; G749-F751 PolarHBondContact O-N 3.44Å; G749-G752 PolarHBondContact O-N 2.9Å; G749-G752 VanDerWaalsContact O-N 3.08Å; G749-F754 WeakPolarHBondContact O-CE1 3.43Å
750	Y	85.3	Confident	85.3	Confident	73 Å²	73	56.6 Å²	56.6	29%	0.286	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-33.5	175.4	-178.5	-95.5	0	0	0	112.6	L707 F719 F730 E746 V747 G752	L707-Y750 HydrophobicContact CD1-CD1 4.08Å; L707-Y750 HydrophobicContact CD1-CE1 4.02Å; F719-Y750 HydrophobicContact CZ-CE1 4.25Å; F730-Y750 HydrophobicContact CB-CD2 4.35Å; F730-Y750 HydrophobicContact CB-CE2 4.14Å; F730-Y750 HydrophobicContact CD1-CD1 4.21Å; F730-Y750 AromaticContact CD1-CD2 3.52Å; F730-Y750 HydrophobicContact CD1-CD2 3.52Å; F730-Y750 HydrophobicContact CD1-CE1 4.49Å; F730-Y750 AromaticContact CD1-CE2 3.84Å; F730-Y750 HydrophobicContact CD1-CE2 3.84Å; F730-Y750 AromaticContact CD1-CG 3.73Å; F730-Y750 HydrophobicContact CD1-CG 3.73Å; F730-Y750 HydrophobicContact CD2-CD2 4.01Å; F730-Y750 VanDerWaalsContact CE1-CB 3.49Å; F730-Y750 HydrophobicContact CE1-CD1 4.03Å; F730-Y750 AromaticContact CE1-CD2 3.7Å; F730-Y750 HydrophobicContact CE1-CD2 3.7Å; F730-Y750 HydrophobicContact CE1-CE2 4.43Å; F730-Y750 AromaticContact CE1-CG 3.47Å; F730-Y750 HydrophobicContact CE1-CG 3.47Å; F730-Y750 VanDerWaalsContact CE1-CG 3.47Å; F730-Y750 HydrophobicContact CE2-CD2 4.2Å; F730-Y750 HydrophobicContact CE2-CG 4.46Å; F730-Y750 AromaticContact CG-CD2 3.69Å; F730-Y750 HydrophobicContact CG-CD2 3.69Å; F730-Y750 AromaticContact CG-CE2 3.95Å; F730-Y750 HydrophobicContact CG-CE2 3.95Å; F730-Y750 HydrophobicContact CG-CG 4.32Å; F730-Y750 VanDerWaalsContact CZ-CB 3.46Å; F730-Y750 HydrophobicContact CZ-CD2 4.07Å; F730-Y750 AromaticContact CZ-CG 3.9Å; F730-Y750 HydrophobicContact CZ-CG 3.9Å; E746-Y750 WeakPolarHBondContact O-CB 3.48Å; E746-Y750 PolarHBondContact O-N 3.48Å; V747-Y750 WeakPolarHBondContact O-CB 3.23Å; V747-Y750 PolarHBondContact O-N 3.01Å; V747-Y750 VanDerWaalsContact O-N 3.09Å; Y750-G752 PolarHBondContact O-N 3.1Å
751	F	82.9	Confident	85.5	Confident	49 Å²	49	50.2 Å²	50.2	22%	0.215	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	1	175.4	-74.5	-62.5	0	0	0	115.2	E704 L707 Q708 V747 V748 G749 R753	E704-F751 HydrophobicContact CB-CE1 3.53Å; E704-F751 HydrophobicContact CB-CZ 3.83Å; E704-F751 HydrophobicContact CG-CE1 3.54Å; E704-F751 HydrophobicContact CG-CZ 4.18Å; E704-F751 VanDerWaalsContact O-CZ 3.28Å; E704-F751 WeakPolarHBondContact O-CZ 3.38Å; L707-F751 HydrophobicContact CB-CE2 4.17Å; L707-F751 HydrophobicContact CB-CZ 4.05Å; L707-F751 HydrophobicContact CD1-CZ 4.32Å; Q708-F751 HydrophobicContact CG-CD2 4.3Å; Q708-F751 HydrophobicContact CG-CE2 3.6Å; Q708-F751 HydrophobicContact CG-CZ 3.99Å; V747-F751 HydrophobicContact CG1-CD2 3.81Å; V747-F751 HydrophobicContact CG1-CE2 3.46Å; V747-F751 VanDerWaalsContact CG1-CE2 3.46Å; V747-F751 WeakPolarHBondContact O-CD2 3.27Å; V747-F751 PolarHBondContact O-N 3.21Å; V747-F751 VanDerWaalsContact O-N 3.09Å; V748-F751 PolarHBondContact O-N 2.9Å; G749-F751 VanDerWaalsContact C-N 3.25Å; G749-F751 PolarHBondContact O-N 3.44Å; F751-R753 HydrophobicContact CB-CG 4.47Å; F751-R753 PolarHBondContact O-N 3.3Å
752	G	82.1	Confident	85.7	Confident	37 Å²	37	50 Å²	50	38%	0.381	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	7.3	-177.6	0	0	0	0	0	114.4	G749 Y750 F754	G749-G752 PolarHBondContact O-N 2.9Å; G749-G752 VanDerWaalsContact O-N 3.08Å; Y750-G752 PolarHBondContact O-N 3.1Å; G752-F754 VanDerWaalsContact O-CD2 3.26Å; G752-F754 WeakPolarHBondContact O-CD2 3.5Å; G752-F754 PolarHBondContact O-N 2.89Å
753	R	85.4	Confident	85.8	Confident	127 Å²	127	55 Å²	55	48%	0.479	26%	0.258	S	S	.	.			trans	-86.5	62.3	176.1	-61.9	-173.8	-167.4	177.3	1.8	110.2	V748 F751 E755 E756 A757	V748-R753 HydrophobicContact CG1-CB 3.77Å; V748-R753 WeakPolarHBondContact CG1-O 3.41Å; V748-R753 PolarHBondContact O-N 3.38Å; F751-R753 HydrophobicContact CB-CG 4.47Å; F751-R753 PolarHBondContact O-N 3.3Å; R753-E755 VanDerWaalsContact C-N 3.27Å; R753-E755 PolarHBondContact O-N 2.83Å; R753-E756 HydrophobicContact CB-CB 4.35Å; R753-E756 WeakPolarHBondContact CD-OE2 3.31Å; R753-E756 IonicContact NH1-OE2 3.37Å; R753-E756 PolarHBondContact O-N 3.16Å; R753-A757 PolarHBondContact O-N 2.88Å; R753-A757 VanDerWaalsContact O-N 3.1Å
754	F	86.9	Confident	85.6	Confident	65 Å²	65	55.5 Å²	55.5	29%	0.285	26%	0.262	S	S	.	.	H	α-helix	trans	-64.5	-29.4	-169	-54.4	-60.8	0	0	0	113.9	G749 G752 A757 E758 L773 L777	G749-F754 WeakPolarHBondContact O-CE1 3.43Å; G752-F754 VanDerWaalsContact O-CD2 3.26Å; G752-F754 WeakPolarHBondContact O-CD2 3.5Å; G752-F754 PolarHBondContact O-N 2.89Å; F754-A757 PolarHBondContact O-N 3.46Å; F754-E758 VanDerWaalsContact O-CB 3.26Å; F754-E758 WeakPolarHBondContact O-CB 3.45Å; F754-E758 PolarHBondContact O-N 2.85Å; F754-L773 HydrophobicContact CD1-CD1 4.29Å; F754-L777 HydrophobicContact CB-CD1 3.66Å; F754-L777 HydrophobicContact CD1-CD1 3.49Å; F754-L777 VanDerWaalsContact CD1-CD1 3.49Å; F754-L777 HydrophobicContact CD1-CD2 3.93Å; F754-L777 HydrophobicContact CD1-CG 4.28Å; F754-L777 HydrophobicContact CD2-CD1 3.65Å; F754-L777 HydrophobicContact CD2-CD2 4Å; F754-L777 HydrophobicContact CD2-CG 4.46Å; F754-L777 HydrophobicContact CE1-CD1 3.97Å; F754-L777 HydrophobicContact CE1-CD2 3.46Å; F754-L777 VanDerWaalsContact CE1-CD2 3.46Å; F754-L777 HydrophobicContact CE1-CG 4.28Å; F754-L777 HydrophobicContact CE2-CD1 4.12Å; F754-L777 HydrophobicContact CE2-CD2 3.55Å; F754-L777 HydrophobicContact CE2-CG 4.47Å; F754-L777 HydrophobicContact CG-CD1 3.3Å; F754-L777 HydrophobicContact CG-CD2 4.16Å; F754-L777 HydrophobicContact CG-CG 4.36Å; F754-L777 HydrophobicContact CZ-CD1 4.25Å; F754-L777 HydrophobicContact CZ-CD2 3.24Å; F754-L777 HydrophobicContact CZ-CG 4.36Å
755	E	85.4	Confident	85.4	Confident	150 Å²	150	59.2 Å²	59.2	70%	0.701	28%	0.284	S	S	*	.	H	α-helix	trans	-67.5	-43.1	176	-68	176.3	-174.2	0	0	112.4	R753 E758 R759	R753-E755 VanDerWaalsContact C-N 3.27Å; R753-E755 PolarHBondContact O-N 2.83Å; E755-E758 PolarHBondContact O-N 3.46Å; E755-R759 WeakPolarHBondContact O-CB 3.4Å; E755-R759 PolarHBondContact O-N 3.37Å
756	E	85.6	Confident	85.4	Confident	79 Å²	79	64 Å²	64	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-65.2	-42.6	175.5	-69.2	-179.8	173.9	0	0	110.5	V748 R753 R759 T760	V748-E756 HydrophobicContact CG1-CB 3.47Å; V748-E756 VanDerWaalsContact CG1-CB 3.47Å; R753-E756 HydrophobicContact CB-CB 4.35Å; R753-E756 WeakPolarHBondContact CD-OE2 3.31Å; R753-E756 IonicContact NH1-OE2 3.37Å; R753-E756 PolarHBondContact O-N 3.16Å; E756-R759 PolarHBondContact O-N 2.79Å; E756-T760 PolarHBondContact O-N 3.47Å; E756-T760 PolarHBondContact O-OG1 3.45Å; E756-T760 VanDerWaalsContact O-OG1 3.09Å
757	A	86.8	Confident	85.2	Confident	0 Å²	0	66 Å²	66	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-42.6	176.5	0	0	0	0	0	112.2	A745 V748 R753 F754 T760 Y761 L773	A745-A757 WeakPolarHBondContact O-CB 3.44Å; V748-A757 HydrophobicContact CB-CB 4.26Å; V748-A757 HydrophobicContact CG1-CB 3.93Å; R753-A757 PolarHBondContact O-N 2.88Å; R753-A757 VanDerWaalsContact O-N 3.1Å; F754-A757 PolarHBondContact O-N 3.46Å; A757-T760 PolarHBondContact O-N 2.75Å; A757-Y761 WeakPolarHBondContact O-CD2 3.12Å; A757-Y761 PolarHBondContact O-N 3.11Å; A757-L773 HydrophobicContact CB-CD2 3.93Å
758	E	87.3	Confident	85	Confident	6 Å²	6	70.1 Å²	70.1	3%	0.028	33%	0.33	C	S	.	.	H	α-helix	trans	-59.3	-47	174.2	-179.7	-172.1	145.4	0	0	111.1	F754 E755 T760 Y761 L762 A770 R774 R782	F754-E758 VanDerWaalsContact O-CB 3.26Å; F754-E758 WeakPolarHBondContact O-CB 3.45Å; F754-E758 PolarHBondContact O-N 2.85Å; E755-E758 PolarHBondContact O-N 3.46Å; E758-T760 VanDerWaalsContact C-N 3.33Å; E758-T760 PolarHBondContact O-N 3.37Å; E758-Y761 PolarHBondContact O-N 2.79Å; E758-Y761 VanDerWaalsContact O-N 3.15Å; E758-L762 HydrophobicContact CG-CD1 4.08Å; E758-L762 HydrophobicContact CG-CG 4.46Å; E758-L762 WeakPolarHBondContact O-CG 3.47Å; E758-L762 PolarHBondContact O-N 3.18Å; E758-A770 HydrophobicContact CG-CB 4.14Å; E758-R774 IonicContact OE2-CZ 3.34Å; E758-R774 IonicContact OE2-NE 3.5Å; E758-R774 PolarHBondContact OE2-NE 3.14Å; E758-R774 IonicContact OE2-NH2 2.67Å; E758-R774 PolarHBondContact OE2-NH2 3.43Å; E758-R782 IonicContact OE1-CZ 3.78Å; E758-R782 VanDerWaalsContact OE1-CZ 3.22Å; E758-R782 IonicContact OE1-NE 3.78Å; E758-R782 PolarHBondContact OE1-NE 3.3Å; E758-R782 IonicContact OE1-NH2 3.95Å; E758-R782 PolarHBondContact OE1-NH2 3.06Å; E758-R782 IonicContact OE2-NE 2.68Å
759	R	87.8	Confident	85	Confident	144 Å²	144	71.5 Å²	71.5	54%	0.543	34%	0.336	S	S	.	.	H	α-helix	trans	-59	-45.3	177.4	-177.6	-179.9	59.1	-171.7	-5.5	111.1	E755 E756 Y761 L762 E763	E755-R759 WeakPolarHBondContact O-CB 3.4Å; E755-R759 PolarHBondContact O-N 3.37Å; E756-R759 PolarHBondContact O-N 2.79Å; R759-Y761 VanDerWaalsContact C-N 3.33Å; R759-Y761 PolarHBondContact O-N 3.04Å; R759-L762 PolarHBondContact O-N 3.29Å; R759-E763 HydrophobicContact CG-CG 4.4Å; R759-E763 WeakPolarHBondContact CG-OE1 3.35Å; R759-E763 IonicContact NE-OE1 3.22Å; R759-E763 WeakPolarHBondContact O-CB 3.28Å; R759-E763 WeakPolarHBondContact O-CG 3.46Å; R759-E763 PolarHBondContact O-N 2.85Å
760	T	86.4	Confident	85	Confident	24 Å²	24	71 Å²	71	15%	0.147	33%	0.33	C	S	.	.	H	α-helix	trans	-62.3	-39	176.2	-53.7	0	0	0	0	111.8	A745 E756 A757 E758 E763 M764	A745-T760 HydrophobicContact CB-CG2 3.84Å; E756-T760 PolarHBondContact O-N 3.47Å; E756-T760 PolarHBondContact O-OG1 3.45Å; E756-T760 VanDerWaalsContact O-OG1 3.09Å; A757-T760 PolarHBondContact O-N 2.75Å; E758-T760 VanDerWaalsContact C-N 3.33Å; E758-T760 PolarHBondContact O-N 3.37Å; T760-E763 PolarHBondContact O-N 3.1Å; T760-M764 VanDerWaalsContact O-CG 3.23Å; T760-M764 WeakPolarHBondContact O-CG 3.45Å; T760-M764 PolarHBondContact O-N 3.1Å; T760-M764 VanDerWaalsContact O-N 3.15Å
761	Y	87.5	Confident	85	Confident	5 Å²	5	68.5 Å²	68.5	2%	0.02	32%	0.322	C	S	.	.	H	α-helix	trans	-65.2	-37.1	173.9	-74.2	-49.5	0	0	0	113.3	M742 A745 E746 A757 E758 R759 M764 D765 R766 L769 L773	M742-Y761 HydrophobicContact CE-CE1 4.36Å; M742-Y761 HydrophobicContact SD-CD1 4.4Å; M742-Y761 HydrophobicContact SD-CE1 4.01Å; A745-Y761 HydrophobicContact CB-CD1 4.08Å; A745-Y761 HydrophobicContact CB-CE1 3.65Å; A745-Y761 HydrophobicContact CB-CE2 4.19Å; A745-Y761 HydrophobicContact CB-CG 4.49Å; E746-Y761 VanDerWaalsContact CD-OH 3.25Å; E746-Y761 WeakPolarHBondContact CG-OH 3.32Å; E746-Y761 PolarHBondContact OE1-OH 3.36Å; A757-Y761 WeakPolarHBondContact O-CD2 3.12Å; A757-Y761 PolarHBondContact O-N 3.11Å; E758-Y761 PolarHBondContact O-N 2.79Å; E758-Y761 VanDerWaalsContact O-N 3.15Å; R759-Y761 VanDerWaalsContact C-N 3.33Å; R759-Y761 PolarHBondContact O-N 3.04Å; Y761-M764 PolarHBondContact O-N 3.47Å; Y761-D765 PolarHBondContact O-N 3.23Å; Y761-R766 CarbonylContact O-C 3.56Å; Y761-R766 WeakPolarHBondContact O-CA 3.42Å; Y761-R766 PolarHBondContact O-N 3.07Å; Y761-L769 HydrophobicContact CD1-CB 3.87Å; Y761-L769 HydrophobicContact CD1-CD1 4.09Å; Y761-L769 HydrophobicContact CE1-CB 4.08Å; Y761-L769 HydrophobicContact CE1-CD1 3.99Å; Y761-L769 HydrophobicContact CG-CB 4.13Å; Y761-L773 HydrophobicContact CD2-CD2 4.28Å; Y761-L773 HydrophobicContact CE2-CD2 4.1Å
762	L	85.9	Confident	85.1	Confident	57 Å²	57	67.3 Å²	67.3	30%	0.298	32%	0.323	S	S	.	.	H	α-helix	trans	-71.8	-38.9	176.6	-68.7	173.8	0	0	0	112.2	E758 R759 M764 D765 R767 A770 L786	E758-L762 HydrophobicContact CG-CD1 4.08Å; E758-L762 HydrophobicContact CG-CG 4.46Å; E758-L762 WeakPolarHBondContact O-CG 3.47Å; E758-L762 PolarHBondContact O-N 3.18Å; R759-L762 PolarHBondContact O-N 3.29Å; L762-M764 PolarHBondContact O-N 3.4Å; L762-D765 WeakPolarHBondContact O-CA 3.34Å; L762-D765 PolarHBondContact O-N 2.85Å; L762-R767 HydrophobicContact CD2-CB 4.23Å; L762-R767 HydrophobicContact CD2-CG 4.15Å; L762-A770 HydrophobicContact CD2-CB 4.32Å; L762-A770 HydrophobicContact CG-CB 4.44Å; L762-L786 HydrophobicContact CD1-CD2 4.27Å; L762-L786 HydrophobicContact CD2-CD2 4.46Å
763	E	86.4	Confident	85.3	Confident	134 Å²	134	66.7 Å²	66.7	63%	0.626	31%	0.311	S	S	*	.	H	α-helix	trans	-61.9	-25.8	172.3	-74.4	170.2	-176.4	0	0	112.3	R759 T760 D765	R759-E763 HydrophobicContact CG-CG 4.4Å; R759-E763 WeakPolarHBondContact CG-OE1 3.35Å; R759-E763 IonicContact NE-OE1 3.22Å; R759-E763 WeakPolarHBondContact O-CB 3.28Å; R759-E763 WeakPolarHBondContact O-CG 3.46Å; R759-E763 PolarHBondContact O-N 2.85Å; T760-E763 PolarHBondContact O-N 3.1Å; E763-D765 VanDerWaalsContact C-N 3.3Å
764	M	83.3	Confident	85.4	Confident	57 Å²	57	61.6 Å²	61.6	28%	0.281	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	5.3	173.3	-69.2	-175	67.1	0	0	113.8	M742 T760 Y761 L762 R766	M742-M764 HydrophobicContact CG-CE 3.44Å; M742-M764 VanDerWaalsContact CG-CE 3.44Å; M742-M764 HydrophobicContact CG-SD 4.1Å; M742-M764 HydrophobicContact SD-CE 3.62Å; M742-M764 HydrophobicContact SD-SD 3.99Å; T760-M764 VanDerWaalsContact O-CG 3.23Å; T760-M764 WeakPolarHBondContact O-CG 3.45Å; T760-M764 PolarHBondContact O-N 3.1Å; T760-M764 VanDerWaalsContact O-N 3.15Å; Y761-M764 PolarHBondContact O-N 3.47Å; L762-M764 PolarHBondContact O-N 3.4Å; M764-R766 HydrophobicContact CB-CG 4.39Å; M764-R766 PolarHBondContact O-N 2.65Å; M764-R766 VanDerWaalsContact O-N 3.13Å
765	D	81.3	Confident	85.3	Confident	152 Å²	152	60.9 Å²	60.9	81%	0.813	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	22.2	-172.6	-68.5	-37.1	0	0	0	114.1	Y761 L762 E763 R767	Y761-D765 PolarHBondContact O-N 3.23Å; L762-D765 WeakPolarHBondContact O-CA 3.34Å; L762-D765 PolarHBondContact O-N 2.85Å; E763-D765 VanDerWaalsContact C-N 3.3Å; D765-R767 PolarHBondContact O-N 3.17Å
766	R	83.8	Confident	85.3	Confident	100 Å²	100	62.1 Å²	62.1	38%	0.377	29%	0.294	S	S	.	.			trans	-102.1	65	-179.9	-69.5	-61	-58.6	-87.7	2.2	112	Y761 M764 D768 L769 A770	Y761-R766 CarbonylContact O-C 3.56Å; Y761-R766 WeakPolarHBondContact O-CA 3.42Å; Y761-R766 PolarHBondContact O-N 3.07Å; M764-R766 HydrophobicContact CB-CG 4.39Å; M764-R766 PolarHBondContact O-N 2.65Å; M764-R766 VanDerWaalsContact O-N 3.13Å; R766-D768 VanDerWaalsContact C-OD1 3.3Å; R766-D768 WeakPolarHBondContact CA-OD1 3.46Å; R766-D768 IonicContact CZ-OD1 3.23Å; R766-D768 IonicContact CZ-OD2 3.31Å; R766-D768 IonicContact NE-OD1 2.99Å; R766-D768 PolarHBondContact NE-OD1 3.02Å; R766-D768 IonicContact NE-OD2 2.86Å; R766-D768 PolarHBondContact NE-OD2 3.44Å; R766-D768 IonicContact NH2-OD1 3.23Å; R766-D768 IonicContact NH2-OD2 2.94Å; R766-D768 PolarHBondContact NH2-OD2 3.47Å; R766-D768 PolarHBondContact O-N 2.9Å; R766-L769 HydrophobicContact CB-CB 4.39Å; R766-L769 HydrophobicContact CB-CD1 4Å; R766-L769 HydrophobicContact CB-CG 4.3Å; R766-L769 HydrophobicContact CG-CD1 4.35Å; R766-L769 PolarHBondContact O-N 2.86Å; R766-A770 PolarHBondContact O-N 3.07Å
767	R	81.9	Confident	85.2	Confident	94 Å²	94	61.6 Å²	61.6	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-61.9	-31.3	178.2	-170.9	-177.5	-67.1	139	-2	113	L762 D765 L769 A770 I771	L762-R767 HydrophobicContact CD2-CB 4.23Å; L762-R767 HydrophobicContact CD2-CG 4.15Å; D765-R767 PolarHBondContact O-N 3.17Å; R767-L769 VanDerWaalsContact C-N 3.3Å; R767-L769 PolarHBondContact O-N 2.89Å; R767-A770 WeakPolarHBondContact O-CB 3.28Å; R767-A770 PolarHBondContact O-N 3.49Å; R767-I771 HydrophobicContact CG-CD1 3.96Å; R767-I771 HydrophobicContact CG-CG1 4.3Å; R767-I771 WeakPolarHBondContact O-CG1 3.5Å; R767-I771 PolarHBondContact O-N 2.87Å
768	D	83.6	Confident	85	Confident	89 Å²	89	63.4 Å²	63.4	48%	0.476	31%	0.311	S	S	.	.	H	α-helix	trans	-56.5	-43	174.6	63.1	-41.5	0	0	0	112.2	R766 G772	R766-D768 VanDerWaalsContact C-OD1 3.3Å; R766-D768 WeakPolarHBondContact CA-OD1 3.46Å; R766-D768 IonicContact CZ-OD1 3.23Å; R766-D768 IonicContact CZ-OD2 3.31Å; R766-D768 IonicContact NE-OD1 2.99Å; R766-D768 PolarHBondContact NE-OD1 3.02Å; R766-D768 IonicContact NE-OD2 2.86Å; R766-D768 PolarHBondContact NE-OD2 3.44Å; R766-D768 IonicContact NH2-OD1 3.23Å; R766-D768 IonicContact NH2-OD2 2.94Å; R766-D768 PolarHBondContact NH2-OD2 3.47Å; R766-D768 PolarHBondContact O-N 2.9Å; D768-G772 PolarHBondContact O-N 3.24Å
769	L	85.1	Confident	84.9	Confident	48 Å²	48	65.4 Å²	65.4	25%	0.251	32%	0.322	S	S	.	.	H	α-helix	trans	-73.3	-35.2	177.2	-64	178.7	0	0	0	112.3	M742 Y761 R766 R767 G772 L773	M742-L769 HydrophobicContact CE-CD1 3.61Å; M742-L769 HydrophobicContact SD-CD1 3.97Å; Y761-L769 HydrophobicContact CD1-CB 3.87Å; Y761-L769 HydrophobicContact CD1-CD1 4.09Å; Y761-L769 HydrophobicContact CE1-CB 4.08Å; Y761-L769 HydrophobicContact CE1-CD1 3.99Å; Y761-L769 HydrophobicContact CG-CB 4.13Å; R766-L769 HydrophobicContact CB-CB 4.39Å; R766-L769 HydrophobicContact CB-CD1 4Å; R766-L769 HydrophobicContact CB-CG 4.3Å; R766-L769 HydrophobicContact CG-CD1 4.35Å; R766-L769 PolarHBondContact O-N 2.86Å; R767-L769 VanDerWaalsContact C-N 3.3Å; R767-L769 PolarHBondContact O-N 2.89Å; L769-G772 PolarHBondContact O-N 3.12Å; L769-L773 WeakPolarHBondContact O-CB 3.4Å; L769-L773 PolarHBondContact O-N 3.27Å
770	A	84.4	Confident	84.8	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-44.7	173.1	0	0	0	0	0	111.9	E758 L762 R766 R767 L773 R774 L786	E758-A770 HydrophobicContact CG-CB 4.14Å; L762-A770 HydrophobicContact CD2-CB 4.32Å; L762-A770 HydrophobicContact CG-CB 4.44Å; R766-A770 PolarHBondContact O-N 3.07Å; R767-A770 WeakPolarHBondContact O-CB 3.28Å; R767-A770 PolarHBondContact O-N 3.49Å; A770-L773 WeakPolarHBondContact O-CB 3.48Å; A770-L773 PolarHBondContact O-N 3.18Å; A770-R774 PolarHBondContact O-N 3.02Å; A770-R774 VanDerWaalsContact O-N 3.11Å; A770-L786 HydrophobicContact CB-CD1 4.47Å
771	I	85.4	Confident	84.9	Confident	22 Å²	22	64.3 Å²	64.3	11%	0.113	32%	0.318	C	S	.	.	H	α-helix	trans	-64	-46.7	173.6	-68.3	167	0	0	0	109.8	R767 L773 R774 L775 V783 L786 L787	R767-I771 HydrophobicContact CG-CD1 3.96Å; R767-I771 HydrophobicContact CG-CG1 4.3Å; R767-I771 WeakPolarHBondContact O-CG1 3.5Å; R767-I771 PolarHBondContact O-N 2.87Å; I771-L773 VanDerWaalsContact C-N 3.27Å; I771-L773 PolarHBondContact O-N 2.87Å; I771-R774 PolarHBondContact O-N 3.36Å; I771-R774 VanDerWaalsContact O-N 3.16Å; I771-L775 HydrophobicContact CG2-CD1 3.82Å; I771-L775 HydrophobicContact CG2-CG 4.15Å; I771-L775 WeakPolarHBondContact O-CB 3.33Å; I771-L775 VanDerWaalsContact O-CG 3.32Å; I771-L775 WeakPolarHBondContact O-CG 3.47Å; I771-L775 PolarHBondContact O-N 2.96Å; I771-V783 HydrophobicContact CG2-CG1 4.27Å; I771-L786 HydrophobicContact CG1-CB 4.03Å; I771-L786 HydrophobicContact CG1-CD1 4.32Å; I771-L787 HydrophobicContact CD1-CD2 3.86Å; I771-L787 HydrophobicContact CD1-CG 4.41Å
772	G	85.8	Confident	84.8	Confident	23 Å²	23	67.7 Å²	67.7	24%	0.237	33%	0.331	C	S	.	.	H	α-helix	trans	-60.1	-33.7	176.8	0	0	0	0	0	113.9	D768 L769 K776	D768-G772 PolarHBondContact O-N 3.24Å; L769-G772 PolarHBondContact O-N 3.12Å; G772-K776 VanDerWaalsContact O-CG 3.31Å; G772-K776 WeakPolarHBondContact O-CG 3.37Å; G772-K776 PolarHBondContact O-N 3.09Å
773	L	85.9	Confident	84.8	Confident	25 Å²	25	65 Å²	65	13%	0.131	32%	0.317	C	S	.	.	H	α-helix	trans	-65.2	-51.7	172.4	178.4	68.4	0	0	0	110.5	F754 A757 Y761 L769 A770 I771 L775 K776 L777	F754-L773 HydrophobicContact CD1-CD1 4.29Å; A757-L773 HydrophobicContact CB-CD2 3.93Å; Y761-L773 HydrophobicContact CD2-CD2 4.28Å; Y761-L773 HydrophobicContact CE2-CD2 4.1Å; L769-L773 WeakPolarHBondContact O-CB 3.4Å; L769-L773 PolarHBondContact O-N 3.27Å; A770-L773 WeakPolarHBondContact O-CB 3.48Å; A770-L773 PolarHBondContact O-N 3.18Å; I771-L773 VanDerWaalsContact C-N 3.27Å; I771-L773 PolarHBondContact O-N 2.87Å; L773-L775 PolarHBondContact O-N 2.92Å; L773-K776 WeakPolarHBondContact O-CB 3.31Å; L773-K776 PolarHBondContact O-N 3.02Å; L773-L777 HydrophobicContact CG-CD1 4.24Å; L773-L777 WeakPolarHBondContact O-CG 3.43Å; L773-L777 PolarHBondContact O-N 3.39Å
774	R	86.8	Confident	84.7	Confident	19 Å²	19	59.2 Å²	59.2	7%	0.072	29%	0.29	C	S	.	.	H	α-helix	trans	-66.3	-35.2	-178.9	-68.6	-70.2	-177.9	177.2	-4.2	113.1	E758 A770 I771 L777 G778 D779 R782 V783 L786	E758-R774 IonicContact OE2-CZ 3.34Å; E758-R774 IonicContact OE2-NE 3.5Å; E758-R774 PolarHBondContact OE2-NE 3.14Å; E758-R774 IonicContact OE2-NH2 2.67Å; E758-R774 PolarHBondContact OE2-NH2 3.43Å; A770-R774 PolarHBondContact O-N 3.02Å; A770-R774 VanDerWaalsContact O-N 3.11Å; I771-R774 PolarHBondContact O-N 3.36Å; I771-R774 VanDerWaalsContact O-N 3.16Å; R774-L777 PolarHBondContact O-N 3.4Å; R774-L777 VanDerWaalsContact O-N 3.13Å; R774-G778 PolarHBondContact O-N 2.9Å; R774-G778 VanDerWaalsContact O-N 3.08Å; R774-D779 IonicContact CZ-OD2 3.31Å; R774-D779 IonicContact NE-OD2 2.85Å; R774-D779 IonicContact NH1-OD2 2.72Å; R774-D779 PolarHBondContact NH1-OD2 2.85Å; R774-D779 PolarHBondContact O-N 3.19Å; R774-D779 VanDerWaalsContact O-N 3.13Å; R774-R782 HydrophobicContact CG-CB 4.4Å; R774-R782 HydrophobicContact CG-CG 4.15Å; R774-V783 HydrophobicContact CB-CG2 3.51Å; R774-L786 HydrophobicContact CG-CD1 4.29Å
775	L	85.5	Confident	84.9	Confident	51 Å²	51	61.4 Å²	61.4	27%	0.267	30%	0.299	S	S	.	.	H	α-helix	trans	-59.6	-44.7	171.6	-76.2	172.8	0	0	0	111.8	I771 L773 L777 G778 W780 V783 L798	I771-L775 HydrophobicContact CG2-CD1 3.82Å; I771-L775 HydrophobicContact CG2-CG 4.15Å; I771-L775 WeakPolarHBondContact O-CB 3.33Å; I771-L775 VanDerWaalsContact O-CG 3.32Å; I771-L775 WeakPolarHBondContact O-CG 3.47Å; I771-L775 PolarHBondContact O-N 2.96Å; L773-L775 PolarHBondContact O-N 2.92Å; L775-L777 PolarHBondContact O-N 2.85Å; L775-G778 PolarHBondContact O-N 2.61Å; L775-G778 VanDerWaalsContact O-N 3.12Å; L775-W780 HydrophobicContact CD2-CE3 3.88Å; L775-W780 HydrophobicContact CD2-CH2 3.69Å; L775-W780 HydrophobicContact CD2-CZ3 3.21Å; L775-V783 HydrophobicContact CD2-CG1 4.08Å; L775-V783 HydrophobicContact CD2-CG2 4.05Å; L775-V783 HydrophobicContact CG-CG1 4.46Å; L775-V783 HydrophobicContact CG-CG2 4.06Å; L775-L798 HydrophobicContact CD1-CD2 4.23Å
776	K	84.6	Confident	85	Confident	176 Å²	176	54.4 Å²	54.4	77%	0.765	26%	0.262	S	S	*	.	H	α-helix	trans	-64.3	-26.1	176.1	-73.6	170.2	-175.2	167.7	0	113	G772 L773	G772-K776 VanDerWaalsContact O-CG 3.31Å; G772-K776 WeakPolarHBondContact O-CG 3.37Å; G772-K776 PolarHBondContact O-N 3.09Å; L773-K776 WeakPolarHBondContact O-CB 3.31Å; L773-K776 PolarHBondContact O-N 3.02Å
777	L	83.4	Confident	85	Confident	68 Å²	68	50.6 Å²	50.6	36%	0.356	25%	0.249	S	C	.	.	H	α-helix	trans	-84.8	-13.7	177.1	-62.8	168.7	0	0	0	113	F754 L773 R774 L775 D779	F754-L777 HydrophobicContact CB-CD1 3.66Å; F754-L777 HydrophobicContact CD1-CD1 3.49Å; F754-L777 VanDerWaalsContact CD1-CD1 3.49Å; F754-L777 HydrophobicContact CD1-CD2 3.93Å; F754-L777 HydrophobicContact CD1-CG 4.28Å; F754-L777 HydrophobicContact CD2-CD1 3.65Å; F754-L777 HydrophobicContact CD2-CD2 4Å; F754-L777 HydrophobicContact CD2-CG 4.46Å; F754-L777 HydrophobicContact CE1-CD1 3.97Å; F754-L777 HydrophobicContact CE1-CD2 3.46Å; F754-L777 VanDerWaalsContact CE1-CD2 3.46Å; F754-L777 HydrophobicContact CE1-CG 4.28Å; F754-L777 HydrophobicContact CE2-CD1 4.12Å; F754-L777 HydrophobicContact CE2-CD2 3.55Å; F754-L777 HydrophobicContact CE2-CG 4.47Å; F754-L777 HydrophobicContact CG-CD1 3.3Å; F754-L777 HydrophobicContact CG-CD2 4.16Å; F754-L777 HydrophobicContact CG-CG 4.36Å; F754-L777 HydrophobicContact CZ-CD1 4.25Å; F754-L777 HydrophobicContact CZ-CD2 3.24Å; F754-L777 HydrophobicContact CZ-CG 4.36Å; L773-L777 HydrophobicContact CG-CD1 4.24Å; L773-L777 WeakPolarHBondContact O-CG 3.43Å; L773-L777 PolarHBondContact O-N 3.39Å; R774-L777 PolarHBondContact O-N 3.4Å; R774-L777 VanDerWaalsContact O-N 3.13Å; L775-L777 PolarHBondContact O-N 2.85Å; L777-D779 HydrophobicContact CB-CB 4.48Å; L777-D779 PolarHBondContact O-N 3.36Å
778	G	82.1	Confident	84.9	Confident	37 Å²	37	52.5 Å²	52.5	38%	0.381	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	19.1	-172.2	0	0	0	0	0	113.5	R774 L775 W780	R774-G778 PolarHBondContact O-N 2.9Å; R774-G778 VanDerWaalsContact O-N 3.08Å; L775-G778 PolarHBondContact O-N 2.61Å; L775-G778 VanDerWaalsContact O-N 3.12Å; G778-W780 VanDerWaalsContact C-N 3.26Å; G778-W780 PolarHBondContact O-N 2.83Å
779	D	85.9	Confident	84.6	Confident	49 Å²	49	53 Å²	53	26%	0.262	27%	0.266	S	S	.	.			trans	-84.5	72.3	177.4	-175.8	-0.9	0	0	0	110.3	R774 L777 F781 R782 V783	R774-D779 IonicContact CZ-OD2 3.31Å; R774-D779 IonicContact NE-OD2 2.85Å; R774-D779 IonicContact NH1-OD2 2.72Å; R774-D779 PolarHBondContact NH1-OD2 2.85Å; R774-D779 PolarHBondContact O-N 3.19Å; R774-D779 VanDerWaalsContact O-N 3.13Å; L777-D779 HydrophobicContact CB-CB 4.48Å; L777-D779 PolarHBondContact O-N 3.36Å; D779-F781 VanDerWaalsContact C-N 3.26Å; D779-F781 PolarHBondContact O-N 2.78Å; D779-R782 PolarHBondContact O-N 2.95Å; D779-R782 PolarHBondContact OD1-N 2.93Å; D779-R782 WeakPolarHBondContact OD2-CB 2.92Å; D779-V783 WeakPolarHBondContact O-CG2 3.37Å; D779-V783 PolarHBondContact O-N 2.88Å; D779-V783 VanDerWaalsContact O-N 3.11Å
780	W	86.9	Confident	83.7	Confident	70 Å²	70	51.9 Å²	51.9	27%	0.265	27%	0.266	S	S	.	.	H	α-helix	trans	-65.1	-28.8	-173.9	-60.7	105.3	0	0	0	113.2	L775 G778 V783 L784 A802 A805 I806	L775-W780 HydrophobicContact CD2-CE3 3.88Å; L775-W780 HydrophobicContact CD2-CH2 3.69Å; L775-W780 HydrophobicContact CD2-CZ3 3.21Å; G778-W780 VanDerWaalsContact C-N 3.26Å; G778-W780 PolarHBondContact O-N 2.83Å; W780-V783 PolarHBondContact O-N 2.95Å; W780-L784 WeakPolarHBondContact O-CB 3.46Å; W780-L784 PolarHBondContact O-N 3.11Å; W780-A802 HydrophobicContact CE3-CB 4.11Å; W780-A805 HydrophobicContact CB-CB 4.31Å; W780-A805 HydrophobicContact CD2-CB 3.44Å; W780-A805 VanDerWaalsContact CD2-CB 3.44Å; W780-A805 VanDerWaalsContact CE2-CB 3.44Å; W780-A805 HydrophobicContact CE3-CB 4.05Å; W780-A805 HydrophobicContact CG-CB 3.54Å; W780-A805 HydrophobicContact CZ2-CB 4.05Å; W780-I806 HydrophobicContact CB-CD1 4.29Å; W780-I806 HydrophobicContact CB-CG1 3.62Å
781	F	87.4	Confident	82.4	Confident	75 Å²	75	57.7 Å²	57.7	33%	0.329	31%	0.307	S	S	.	.	H	α-helix	trans	-62.5	-48	175.7	-68.5	-82	0	0	0	111.5	D779 L784 Q785 I806 Y809 F810	D779-F781 VanDerWaalsContact C-N 3.26Å; D779-F781 PolarHBondContact O-N 2.78Å; F781-L784 PolarHBondContact O-N 2.9Å; F781-Q785 PolarHBondContact O-N 3.25Å; F781-Q785 VanDerWaalsContact O-N 3.1Å; F781-I806 HydrophobicContact CD1-CD1 4.17Å; F781-I806 HydrophobicContact CD1-CG1 4.28Å; F781-I806 HydrophobicContact CD1-CG2 4.18Å; F781-I806 HydrophobicContact CE1-CG1 4.3Å; F781-I806 HydrophobicContact CE1-CG2 3.46Å; F781-I806 VanDerWaalsContact CE1-CG2 3.46Å; F781-I806 HydrophobicContact CE2-CG2 4.42Å; F781-I806 HydrophobicContact CG-CD1 4.48Å; F781-I806 HydrophobicContact CG-CG1 4.42Å; F781-I806 HydrophobicContact CZ-CG1 4.44Å; F781-I806 HydrophobicContact CZ-CG2 3.6Å; F781-Y809 AromaticContact CE2-CD1 3.66Å; F781-Y809 HydrophobicContact CE2-CD1 3.66Å; F781-Y809 AromaticContact CE2-CE1 3.71Å; F781-Y809 HydrophobicContact CE2-CE1 3.71Å; F781-Y809 HydrophobicContact CE2-CG 4.16Å; F781-Y809 AromaticContact CZ-CD1 3.73Å; F781-Y809 HydrophobicContact CZ-CD1 3.73Å; F781-Y809 AromaticContact CZ-CE1 3.89Å; F781-Y809 HydrophobicContact CZ-CE1 3.89Å; F781-F810 AromaticContact CE1-CE2 3.76Å; F781-F810 HydrophobicContact CE1-CE2 3.76Å; F781-F810 AromaticContact CE1-CZ 3.93Å; F781-F810 HydrophobicContact CE1-CZ 3.93Å; F781-F810 HydrophobicContact CZ-CD2 4.45Å; F781-F810 AromaticContact CZ-CE2 3.57Å; F781-F810 HydrophobicContact CZ-CE2 3.57Å; F781-F810 AromaticContact CZ-CZ 3.68Å; F781-F810 HydrophobicContact CZ-CZ 3.68Å
782	R	85.4	Confident	81.1	Confident	76 Å²	76	59.3 Å²	59.3	29%	0.287	33%	0.328	S	S	.	.	H	α-helix	trans	-70.9	-34.4	178.3	-170.5	59.8	179.9	177.6	0.7	112.1	E758 R774 D779 Q785 L786	E758-R782 IonicContact OE1-CZ 3.78Å; E758-R782 VanDerWaalsContact OE1-CZ 3.22Å; E758-R782 IonicContact OE1-NE 3.78Å; E758-R782 PolarHBondContact OE1-NE 3.3Å; E758-R782 IonicContact OE1-NH2 3.95Å; E758-R782 PolarHBondContact OE1-NH2 3.06Å; E758-R782 IonicContact OE2-NE 2.68Å; R774-R782 HydrophobicContact CG-CB 4.4Å; R774-R782 HydrophobicContact CG-CG 4.15Å; D779-R782 PolarHBondContact O-N 2.95Å; D779-R782 PolarHBondContact OD1-N 2.93Å; D779-R782 WeakPolarHBondContact OD2-CB 2.92Å; R782-Q785 PolarHBondContact O-N 3.46Å; R782-L786 HydrophobicContact CG-CD1 4.34Å; R782-L786 HydrophobicContact CG-CG 4.5Å; R782-L786 WeakPolarHBondContact O-CG 3.42Å; R782-L786 PolarHBondContact O-N 3.33Å
783	V	86.2	Confident	79.7	Confident	1 Å²	1	66.7 Å²	66.7	1%	0.006	36%	0.363	C	S	.	.	H	α-helix	trans	-57.3	-50.4	171.9	171.3	0	0	0	0	110.8	I771 R774 L775 D779 W780 Q785 L786 L787 A802	I771-V783 HydrophobicContact CG2-CG1 4.27Å; R774-V783 HydrophobicContact CB-CG2 3.51Å; L775-V783 HydrophobicContact CD2-CG1 4.08Å; L775-V783 HydrophobicContact CD2-CG2 4.05Å; L775-V783 HydrophobicContact CG-CG1 4.46Å; L775-V783 HydrophobicContact CG-CG2 4.06Å; D779-V783 WeakPolarHBondContact O-CG2 3.37Å; D779-V783 PolarHBondContact O-N 2.88Å; D779-V783 VanDerWaalsContact O-N 3.11Å; W780-V783 PolarHBondContact O-N 2.95Å; V783-Q785 VanDerWaalsContact C-N 3.28Å; V783-Q785 PolarHBondContact O-N 3.04Å; V783-L786 PolarHBondContact O-N 2.92Å; V783-L787 HydrophobicContact CG1-CD1 3.88Å; V783-L787 HydrophobicContact CG1-CG 4.45Å; V783-L787 WeakPolarHBondContact O-CG 3.4Å; V783-L787 PolarHBondContact O-N 2.84Å; V783-A802 HydrophobicContact CG1-CB 4.39Å
784	L	85.1	Confident	78.4	Confident	12 Å²	12	67.3 Å²	67.3	6%	0.063	37%	0.371	C	S	.	.	H	α-helix	trans	-61.3	-38.1	179	-172.8	70.7	0	0	0	111.7	W780 F781 K788 A802 N803 I806	W780-L784 WeakPolarHBondContact O-CB 3.46Å; W780-L784 PolarHBondContact O-N 3.11Å; F781-L784 PolarHBondContact O-N 2.9Å; L784-K788 HydrophobicContact CG-CD 4.42Å; L784-K788 WeakPolarHBondContact O-CG 3.39Å; L784-K788 PolarHBondContact O-N 3.39Å; L784-K788 VanDerWaalsContact O-N 3.11Å; L784-A802 HydrophobicContact CB-CB 4.44Å; L784-A802 HydrophobicContact CD1-CB 4.32Å; L784-N803 WeakPolarHBondContact CD2-OD1 3.47Å; L784-I806 HydrophobicContact CB-CD1 4.16Å; L784-I806 HydrophobicContact CD2-CD1 3.84Å
785	Q	85.7	Confident	77.8	Confident	102 Å²	102	70.5 Å²	70.5	48%	0.477	39%	0.39	S	S	.	.	H	α-helix	trans	-63.9	-48.9	175.5	-170.2	175.8	11.5	0	0	111.5	F781 R782 V783 L787 K788 T789	F781-Q785 PolarHBondContact O-N 3.25Å; F781-Q785 VanDerWaalsContact O-N 3.1Å; R782-Q785 PolarHBondContact O-N 3.46Å; V783-Q785 VanDerWaalsContact C-N 3.28Å; V783-Q785 PolarHBondContact O-N 3.04Å; Q785-L787 VanDerWaalsContact C-N 3.27Å; Q785-L787 PolarHBondContact O-N 3.17Å; Q785-K788 PolarHBondContact O-N 3.1Å; Q785-K788 VanDerWaalsContact O-N 3.1Å; Q785-T789 PolarHBondContact O-N 3.39Å; Q785-T789 PolarHBondContact O-OG1 3.14Å
786	L	83.8	Confident	77.4	Confident	5 Å²	5	73.9 Å²	73.9	3%	0.026	41%	0.408	C	S	.	.	H	α-helix	trans	-62.6	-31.9	179.3	-73.4	173.1	0	0	0	113.1	L762 A770 I771 R774 R782 V783	L762-L786 HydrophobicContact CD1-CD2 4.27Å; L762-L786 HydrophobicContact CD2-CD2 4.46Å; A770-L786 HydrophobicContact CB-CD1 4.47Å; I771-L786 HydrophobicContact CG1-CB 4.03Å; I771-L786 HydrophobicContact CG1-CD1 4.32Å; R774-L786 HydrophobicContact CG-CD1 4.29Å; R782-L786 HydrophobicContact CG-CD1 4.34Å; R782-L786 HydrophobicContact CG-CG 4.5Å; R782-L786 WeakPolarHBondContact O-CG 3.42Å; R782-L786 PolarHBondContact O-N 3.33Å; V783-L786 PolarHBondContact O-N 2.92Å
787	L	83.1	Confident	77.3	Confident	20 Å²	20	68.4 Å²	68.4	11%	0.105	39%	0.392	C	S	.	.	H	α-helix	trans	-69	-40.4	172.8	-71.1	169.3	0	0	0	111.6	I771 V783 Q785 L798 M799	I771-L787 HydrophobicContact CD1-CD2 3.86Å; I771-L787 HydrophobicContact CD1-CG 4.41Å; V783-L787 HydrophobicContact CG1-CD1 3.88Å; V783-L787 HydrophobicContact CG1-CG 4.45Å; V783-L787 WeakPolarHBondContact O-CG 3.4Å; V783-L787 PolarHBondContact O-N 2.84Å; Q785-L787 VanDerWaalsContact C-N 3.27Å; Q785-L787 PolarHBondContact O-N 3.17Å; L787-L798 HydrophobicContact CD1-CB 4.3Å; L787-M799 HydrophobicContact CB-CG 4.32Å; L787-M799 HydrophobicContact CD1-CG 3.99Å
788	K	80.4	Confident	77.3	Confident	134 Å²	134	67.2 Å²	67.2	58%	0.583	39%	0.386	S	S	*	.	H	α-helix	trans	-73.4	-32.8	-179.5	-74.3	177.2	179.3	178.6	0	114.4	L784 Q785 G790	L784-K788 HydrophobicContact CG-CD 4.42Å; L784-K788 WeakPolarHBondContact O-CG 3.39Å; L784-K788 PolarHBondContact O-N 3.39Å; L784-K788 VanDerWaalsContact O-N 3.11Å; Q785-K788 PolarHBondContact O-N 3.1Å; Q785-K788 VanDerWaalsContact O-N 3.1Å; K788-G790 VanDerWaalsContact C-N 3.26Å; K788-G790 PolarHBondContact O-N 3.28Å
789	T	76.8	Confident	77.4	Confident	101 Å²	101	67.4 Å²	67.4	62%	0.62	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-1	177.6	16.4	0	0	0	0	113.9	Q785	Q785-T789 PolarHBondContact O-N 3.39Å; Q785-T789 PolarHBondContact O-OG1 3.14Å
790	G	68.1	Low	77.4	Confident	23 Å²	23	68.9 Å²	68.9	24%	0.237	38%	0.383	C	S	.	.			trans	-82.5	132	-178.5	0	0	0	0	0	114.2	K788 G792	K788-G790 VanDerWaalsContact C-N 3.26Å; K788-G790 PolarHBondContact O-N 3.28Å; G790-G792 VanDerWaalsContact C-N 3.28Å; G790-G792 PolarHBondContact O-N 2.91Å
791	S	55.2	Low	77.5	Confident	123 Å²	123	70.2 Å²	70.2	86%	0.86	39%	0.392	S	S	*	.	S	Bend	trans	-85.4	55	173.1	41.5	0	0	0	0	112.8
792	G	59.5	Low	77.5	Confident	55 Å²	55	66.7 Å²	66.7	57%	0.567	38%	0.376	S	S	*	.	S	Bend	trans	-157.6	161.4	173.4	0	0	0	0	0	110.7	G790 A794	G790-G792 VanDerWaalsContact C-N 3.28Å; G790-G792 PolarHBondContact O-N 2.91Å; G792-A794 PolarHBondContact O-N 3.48Å
793	D	55	Low	77.7	Confident	179 Å²	179	63.7 Å²	63.7	96%	0.957	37%	0.366	S	S	*	.			trans	-50.7	108.9	176.5	-78.6	-23.1	0	0	0	109.3
794	A	59.6	Low	77.9	Confident	38 Å²	38	64.8 Å²	64.8	31%	0.314	37%	0.372	S	S	.	.			trans	-67.8	135.2	178.6	0	0	0	0	0	108.5	G792 D796 M799	G792-A794 PolarHBondContact O-N 3.48Å; A794-D796 PolarHBondContact O-N 3.44Å; A794-M799 HydrophobicContact CB-CE 3.65Å; A794-M799 HydrophobicContact CB-SD 4.17Å
795	D	73.9	Confident	78	Confident	86 Å²	86	65.1 Å²	65.1	46%	0.46	38%	0.376	S	S	.	.			trans	-68.7	97.6	175.5	-172.6	-10.2	0	0	0	108.8	S797 L798 M799	D795-S797 PolarHBondContact O-N 2.9Å; D795-S797 VanDerWaalsContact O-N 3.11Å; D795-S797 WeakPolarHBondContact OD1-CB 3.2Å; D795-S797 PolarHBondContact OD1-N 2.93Å; D795-L798 HydrophobicContact CB-CB 4.17Å; D795-L798 HydrophobicContact CB-CD1 3.99Å; D795-L798 HydrophobicContact CB-CG 4.48Å; D795-L798 PolarHBondContact O-N 3.11Å; D795-L798 WeakPolarHBondContact OD2-CD1 3.45Å; D795-M799 PolarHBondContact O-N 3.07Å; D795-M799 VanDerWaalsContact O-N 3.1Å
796	D	78.1	Confident	78.2	Confident	121 Å²	121	60.2 Å²	60.2	65%	0.647	35%	0.353	S	S	*	.	H	α-helix	trans	-53.1	-31.8	-177.7	-77.3	-20.8	0	0	0	111.9	A794 M799 E800	A794-D796 PolarHBondContact O-N 3.44Å; D796-M799 PolarHBondContact O-N 3.32Å; D796-M799 VanDerWaalsContact OD1-CE 3.24Å; D796-M799 WeakPolarHBondContact OD1-CE 3.44Å; D796-E800 PolarHBondContact O-N 2.86Å
797	S	82.4	Confident	78.4	Confident	62 Å²	62	60 Å²	60	43%	0.434	35%	0.352	S	S	.	.	H	α-helix	trans	-66.9	-39.7	176.1	-178.6	0	0	0	0	112.3	D795 Q801	D795-S797 PolarHBondContact O-N 2.9Å; D795-S797 VanDerWaalsContact O-N 3.11Å; D795-S797 WeakPolarHBondContact OD1-CB 3.2Å; D795-S797 PolarHBondContact OD1-N 2.93Å; S797-Q801 VanDerWaalsContact O-CG 3.28Å; S797-Q801 WeakPolarHBondContact O-CG 3.32Å; S797-Q801 PolarHBondContact O-N 2.82Å; S797-Q801 VanDerWaalsContact O-N 3.13Å
798	L	83.3	Confident	78.7	Confident	43 Å²	43	61.5 Å²	61.5	23%	0.225	36%	0.36	C	S	.	.	H	α-helix	trans	-72.9	-32.3	177.5	-85.8	160.3	0	0	0	111.5	L775 L787 D795 A802	L775-L798 HydrophobicContact CD1-CD2 4.23Å; L787-L798 HydrophobicContact CD1-CB 4.3Å; D795-L798 HydrophobicContact CB-CB 4.17Å; D795-L798 HydrophobicContact CB-CD1 3.99Å; D795-L798 HydrophobicContact CB-CG 4.48Å; D795-L798 PolarHBondContact O-N 3.11Å; D795-L798 WeakPolarHBondContact OD2-CD1 3.45Å; L798-A802 WeakPolarHBondContact O-CB 3.49Å; L798-A802 PolarHBondContact O-N 2.89Å
799	M	83.4	Confident	79.1	Confident	41 Å²	41	59.6 Å²	59.6	20%	0.202	35%	0.35	C	S	.	.	H	α-helix	trans	-66.8	-42.3	172.9	-76.3	-160.1	-70.8	0	0	112.3	L787 A794 D795 D796 A802 N803	L787-M799 HydrophobicContact CB-CG 4.32Å; L787-M799 HydrophobicContact CD1-CG 3.99Å; A794-M799 HydrophobicContact CB-CE 3.65Å; A794-M799 HydrophobicContact CB-SD 4.17Å; D795-M799 PolarHBondContact O-N 3.07Å; D795-M799 VanDerWaalsContact O-N 3.1Å; D796-M799 PolarHBondContact O-N 3.32Å; D796-M799 VanDerWaalsContact OD1-CE 3.24Å; D796-M799 WeakPolarHBondContact OD1-CE 3.44Å; M799-A802 PolarHBondContact O-N 2.84Å; M799-N803 WeakPolarHBondContact O-CB 3.39Å; M799-N803 PolarHBondContact O-N 3.11Å; M799-N803 PolarHBondContact O-ND2 3.28Å; M799-N803 VanDerWaalsContact O-ND2 3.09Å
800	E	86.9	Confident	79.6	Confident	80 Å²	80	56 Å²	56	37%	0.374	33%	0.326	S	S	.	.	H	α-helix	trans	-60.3	-46.9	175.1	-168.6	179.4	150.1	0	0	111.1	D796 A802 N803 N804 G826	D796-E800 PolarHBondContact O-N 2.86Å; E800-A802 PolarHBondContact O-N 3.21Å; E800-N803 PolarHBondContact O-N 3.47Å; E800-N804 WeakPolarHBondContact O-CB 3.2Å; E800-N804 PolarHBondContact O-N 2.81Å; E800-N804 PolarHBondContact O-ND2 2.87Å; E800-G826 WeakPolarHBondContact CG-O 3.4Å
801	Q	87.3	Confident	80.5	Confident	98 Å²	98	55.1 Å²	55.1	46%	0.458	32%	0.317	S	S	.	.	H	α-helix	trans	-60.9	-43.9	176.1	-72.6	174.6	15.7	0	0	112.5	S797 N804 A805	S797-Q801 VanDerWaalsContact O-CG 3.28Å; S797-Q801 WeakPolarHBondContact O-CG 3.32Å; S797-Q801 PolarHBondContact O-N 2.82Å; S797-Q801 VanDerWaalsContact O-N 3.13Å; Q801-N804 PolarHBondContact O-N 2.83Å; Q801-A805 WeakPolarHBondContact O-CB 3.38Å; Q801-A805 PolarHBondContact O-N 3.23Å
802	A	87.5	Confident	81.8	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.4	-42.8	178.7	0	0	0	0	0	112	W780 V783 L784 L798 M799 E800 A805 I806	W780-A802 HydrophobicContact CE3-CB 4.11Å; V783-A802 HydrophobicContact CG1-CB 4.39Å; L784-A802 HydrophobicContact CB-CB 4.44Å; L784-A802 HydrophobicContact CD1-CB 4.32Å; L798-A802 WeakPolarHBondContact O-CB 3.49Å; L798-A802 PolarHBondContact O-N 2.89Å; M799-A802 PolarHBondContact O-N 2.84Å; E800-A802 PolarHBondContact O-N 3.21Å; A802-A805 PolarHBondContact O-N 3.09Å; A802-I806 WeakPolarHBondContact O-CD1 3.23Å; A802-I806 WeakPolarHBondContact O-CG1 3.42Å; A802-I806 PolarHBondContact O-N 3.29Å
803	N	89.8	Confident	82.9	Confident	13 Å²	13	58.3 Å²	58.3	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-64.1	-42.9	176.6	-75.3	-42.3	0	0	0	111.8	L784 M799 E800 A805 I806 G807 Y822 Q825	L784-N803 WeakPolarHBondContact CD2-OD1 3.47Å; M799-N803 WeakPolarHBondContact O-CB 3.39Å; M799-N803 PolarHBondContact O-N 3.11Å; M799-N803 PolarHBondContact O-ND2 3.28Å; M799-N803 VanDerWaalsContact O-ND2 3.09Å; E800-N803 PolarHBondContact O-N 3.47Å; N803-A805 PolarHBondContact O-N 3.37Å; N803-I806 PolarHBondContact O-N 3.04Å; N803-G807 PolarHBondContact O-N 3.33Å; N803-Y822 WeakPolarHBondContact O-CB 3.45Å; N803-Q825 HydrophobicContact CB-CB 4.36Å
804	N	90.3	Very high	84.2	Confident	25 Å²	25	57 Å²	57	13%	0.134	29%	0.29	C	S	.	.	H	α-helix	trans	-63.3	-42.3	176.9	-74.4	-29.3	0	0	0	112.4	E800 Q801 I806 G807 D808 G826 N828	E800-N804 WeakPolarHBondContact O-CB 3.2Å; E800-N804 PolarHBondContact O-N 2.81Å; E800-N804 PolarHBondContact O-ND2 2.87Å; Q801-N804 PolarHBondContact O-N 2.83Å; N804-I806 PolarHBondContact O-N 3.05Å; N804-G807 WeakPolarHBondContact O-CA 3.33Å; N804-G807 PolarHBondContact O-N 2.79Å; N804-D808 PolarHBondContact O-N 3.47Å; N804-G826 PolarHBondContact ND2-O 3.34Å; N804-G826 WeakPolarHBondContact OD1-CA 3.39Å; N804-G826 PolarHBondContact OD1-O 3.03Å; N804-G826 VanDerWaalsContact OD1-O 3.12Å; N804-N828 WeakPolarHBondContact OD1-CB 3.43Å
805	A	88	Confident	85.5	Confident	18 Å²	18	60.5 Å²	60.5	15%	0.149	30%	0.299	C	S	.	.	H	α-helix	trans	-68.6	-32.6	177.6	0	0	0	0	0	113.2	W780 Q801 A802 N803 Y809	W780-A805 HydrophobicContact CB-CB 4.31Å; W780-A805 HydrophobicContact CD2-CB 3.44Å; W780-A805 VanDerWaalsContact CD2-CB 3.44Å; W780-A805 VanDerWaalsContact CE2-CB 3.44Å; W780-A805 HydrophobicContact CE3-CB 4.05Å; W780-A805 HydrophobicContact CG-CB 3.54Å; W780-A805 HydrophobicContact CZ2-CB 4.05Å; Q801-A805 WeakPolarHBondContact O-CB 3.38Å; Q801-A805 PolarHBondContact O-N 3.23Å; A802-A805 PolarHBondContact O-N 3.09Å; N803-A805 PolarHBondContact O-N 3.37Å; A805-Y809 PolarHBondContact O-N 3.41Å
806	I	89.1	Confident	86.2	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68	-39.3	170.3	-67.8	164.7	0	0	0	110.6	W780 F781 L784 A802 N803 N804 Y809 F810 Y822	W780-I806 HydrophobicContact CB-CD1 4.29Å; W780-I806 HydrophobicContact CB-CG1 3.62Å; F781-I806 HydrophobicContact CD1-CD1 4.17Å; F781-I806 HydrophobicContact CD1-CG1 4.28Å; F781-I806 HydrophobicContact CD1-CG2 4.18Å; F781-I806 HydrophobicContact CE1-CG1 4.3Å; F781-I806 HydrophobicContact CE1-CG2 3.46Å; F781-I806 VanDerWaalsContact CE1-CG2 3.46Å; F781-I806 HydrophobicContact CE2-CG2 4.42Å; F781-I806 HydrophobicContact CG-CD1 4.48Å; F781-I806 HydrophobicContact CG-CG1 4.42Å; F781-I806 HydrophobicContact CZ-CG1 4.44Å; F781-I806 HydrophobicContact CZ-CG2 3.6Å; L784-I806 HydrophobicContact CB-CD1 4.16Å; L784-I806 HydrophobicContact CD2-CD1 3.84Å; A802-I806 WeakPolarHBondContact O-CD1 3.23Å; A802-I806 WeakPolarHBondContact O-CG1 3.42Å; A802-I806 PolarHBondContact O-N 3.29Å; N803-I806 PolarHBondContact O-N 3.04Å; N804-I806 PolarHBondContact O-N 3.05Å; I806-Y809 WeakPolarHBondContact O-CB 3.35Å; I806-Y809 PolarHBondContact O-N 3.41Å; I806-F810 HydrophobicContact CG2-CD2 3.89Å; I806-F810 HydrophobicContact CG2-CE2 3.65Å; I806-F810 VanDerWaalsContact O-CD2 3.24Å; I806-F810 WeakPolarHBondContact O-CD2 3.42Å; I806-F810 PolarHBondContact O-N 3.38Å; I806-F810 VanDerWaalsContact O-N 3.16Å; I806-Y822 HydrophobicContact CB-CD1 4.17Å; I806-Y822 HydrophobicContact CB-CG 4.25Å; I806-Y822 HydrophobicContact CD1-CE1 4.4Å; I806-Y822 HydrophobicContact CG2-CD1 3.67Å; I806-Y822 HydrophobicContact CG2-CD2 3.65Å; I806-Y822 HydrophobicContact CG2-CE1 3.75Å; I806-Y822 HydrophobicContact CG2-CE2 3.77Å; I806-Y822 HydrophobicContact CG2-CG 3.62Å
807	G	89.4	Confident	86.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-56.4	-50.8	171.9	0	0	0	0	0	111.5	N803 N804 Y809 F810 A811 Y823	N803-G807 PolarHBondContact O-N 3.33Å; N804-G807 WeakPolarHBondContact O-CA 3.33Å; N804-G807 PolarHBondContact O-N 2.79Å; G807-Y809 VanDerWaalsContact C-N 3.32Å; G807-Y809 PolarHBondContact O-N 3.35Å; G807-F810 PolarHBondContact O-N 3.12Å; G807-F810 VanDerWaalsContact O-N 3.1Å; G807-A811 WeakPolarHBondContact O-CB 3.42Å; G807-A811 PolarHBondContact O-N 3.05Å; G807-Y823 VanDerWaalsContact C-OH 3.26Å; G807-Y823 PolarHBondContact O-OH 3.26Å
808	D	88.9	Confident	87	Confident	52 Å²	52	59 Å²	59	28%	0.278	28%	0.282	S	S	.	.	H	α-helix	trans	-58.6	-42.2	177.4	-70.2	-20.2	0	0	0	111.4	N804 F810 A811 D812 Y823 R831	N804-D808 PolarHBondContact O-N 3.47Å; D808-F810 VanDerWaalsContact C-N 3.3Å; D808-F810 PolarHBondContact O-N 3.39Å; D808-A811 PolarHBondContact O-N 3.22Å; D808-D812 WeakPolarHBondContact O-CB 3.35Å; D808-D812 PolarHBondContact O-N 3.4Å; D808-Y823 WeakPolarHBondContact CA-OH 3.35Å; D808-Y823 PolarHBondContact N-OH 3.49Å; D808-Y823 VanDerWaalsContact N-OH 3.1Å; D808-Y823 PolarHBondContact OD1-OH 3.35Å; D808-R831 IonicContact OD1-NE 2.84Å
809	Y	87.6	Confident	87.3	Confident	94 Å²	94	57 Å²	57	37%	0.369	27%	0.271	S	S	.	.	H	α-helix	trans	-57.9	-39.3	175.6	172.2	-91.3	0	0	0	113.4	F781 A805 I806 G807 R813	F781-Y809 AromaticContact CE2-CD1 3.66Å; F781-Y809 HydrophobicContact CE2-CD1 3.66Å; F781-Y809 AromaticContact CE2-CE1 3.71Å; F781-Y809 HydrophobicContact CE2-CE1 3.71Å; F781-Y809 HydrophobicContact CE2-CG 4.16Å; F781-Y809 AromaticContact CZ-CD1 3.73Å; F781-Y809 HydrophobicContact CZ-CD1 3.73Å; F781-Y809 AromaticContact CZ-CE1 3.89Å; F781-Y809 HydrophobicContact CZ-CE1 3.89Å; A805-Y809 PolarHBondContact O-N 3.41Å; I806-Y809 WeakPolarHBondContact O-CB 3.35Å; I806-Y809 PolarHBondContact O-N 3.41Å; G807-Y809 VanDerWaalsContact C-N 3.32Å; G807-Y809 PolarHBondContact O-N 3.35Å; Y809-R813 WeakPolarHBondContact O-CG 3.42Å; Y809-R813 VanDerWaalsContact OH-CZ 3.22Å; Y809-R813 PolarHBondContact OH-NH1 3.48Å
810	F	88.4	Confident	87.6	Confident	25 Å²	25	56 Å²	56	11%	0.11	27%	0.268	C	S	.	.	H	α-helix	trans	-76.8	-37.7	176.2	-76.2	-63.8	0	0	0	112.3	F781 I806 G807 D808 R813 Q814 K815 N818 A819 Y822	F781-F810 AromaticContact CE1-CE2 3.76Å; F781-F810 HydrophobicContact CE1-CE2 3.76Å; F781-F810 AromaticContact CE1-CZ 3.93Å; F781-F810 HydrophobicContact CE1-CZ 3.93Å; F781-F810 HydrophobicContact CZ-CD2 4.45Å; F781-F810 AromaticContact CZ-CE2 3.57Å; F781-F810 HydrophobicContact CZ-CE2 3.57Å; F781-F810 AromaticContact CZ-CZ 3.68Å; F781-F810 HydrophobicContact CZ-CZ 3.68Å; I806-F810 HydrophobicContact CG2-CD2 3.89Å; I806-F810 HydrophobicContact CG2-CE2 3.65Å; I806-F810 VanDerWaalsContact O-CD2 3.24Å; I806-F810 WeakPolarHBondContact O-CD2 3.42Å; I806-F810 PolarHBondContact O-N 3.38Å; I806-F810 VanDerWaalsContact O-N 3.16Å; G807-F810 PolarHBondContact O-N 3.12Å; G807-F810 VanDerWaalsContact O-N 3.1Å; D808-F810 VanDerWaalsContact C-N 3.3Å; D808-F810 PolarHBondContact O-N 3.39Å; F810-R813 CarbonylContact O-C 3.59Å; F810-R813 PolarHBondContact O-N 3.34Å; F810-Q814 PolarHBondContact O-N 3.25Å; F810-K815 HydrophobicContact CB-CB 4.31Å; F810-K815 HydrophobicContact CD1-CB 4.01Å; F810-K815 HydrophobicContact CD1-CD 4.13Å; F810-K815 HydrophobicContact CE1-CD 4.5Å; F810-K815 PolarHBondContact O-N 2.95Å; F810-N818 HydrophobicContact CB-CB 4.37Å; F810-N818 HydrophobicContact CD1-CB 3.89Å; F810-N818 HydrophobicContact CD2-CB 4.08Å; F810-N818 HydrophobicContact CE1-CB 4.15Å; F810-N818 HydrophobicContact CE2-CB 4.33Å; F810-N818 HydrophobicContact CG-CB 3.86Å; F810-N818 HydrophobicContact CZ-CB 4.37Å; F810-A819 HydrophobicContact CB-CB 3.88Å; F810-Y822 AromaticContact CD2-CD2 3.87Å; F810-Y822 HydrophobicContact CD2-CD2 3.87Å; F810-Y822 AromaticContact CD2-CE2 3.92Å; F810-Y822 HydrophobicContact CD2-CE2 3.92Å; F810-Y822 AromaticContact CE2-CD2 3.86Å; F810-Y822 HydrophobicContact CE2-CD2 3.86Å; F810-Y822 AromaticContact CE2-CE2 3.42Å; F810-Y822 HydrophobicContact CE2-CE2 3.42Å; F810-Y822 VanDerWaalsContact CE2-CE2 3.42Å; F810-Y822 HydrophobicContact CZ-CE2 4.38Å
811	A	85.8	Confident	87.8	Confident	5 Å²	5	57.6 Å²	57.6	4%	0.041	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-46.6	177.2	0	0	0	0	0	111.8	G807 D808 R813 Q814 W816 A819 Y823	G807-A811 WeakPolarHBondContact O-CB 3.42Å; G807-A811 PolarHBondContact O-N 3.05Å; D808-A811 PolarHBondContact O-N 3.22Å; A811-R813 PolarHBondContact O-N 3.2Å; A811-R813 VanDerWaalsContact O-N 3.1Å; A811-Q814 PolarHBondContact O-N 3.4Å; A811-W816 HydrophobicContact CB-CE3 4.19Å; A811-W816 HydrophobicContact CB-CZ3 3.75Å; A811-A819 HydrophobicContact CB-CB 4.4Å; A811-Y823 HydrophobicContact CB-CE2 4.39Å
812	D	83.7	Confident	88	Confident	131 Å²	131	55.5 Å²	55.5	70%	0.701	26%	0.263	S	S	*	.	H	α-helix	trans	-59.6	-25.8	177.2	-74.3	-15.4	0	0	0	112.7	D808	D808-D812 WeakPolarHBondContact O-CB 3.35Å; D808-D812 PolarHBondContact O-N 3.4Å
813	R	81.8	Confident	88.2	Confident	114 Å²	114	55.5 Å²	55.5	43%	0.43	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	10.5	177.6	-67.3	177.1	170.4	-141.6	-16	113.6	E367 Y809 F810 A811 K815	E367-R813 IonicContact OE1-NH2 3.91Å; Y809-R813 WeakPolarHBondContact O-CG 3.42Å; Y809-R813 VanDerWaalsContact OH-CZ 3.22Å; Y809-R813 PolarHBondContact OH-NH1 3.48Å; F810-R813 CarbonylContact O-C 3.59Å; F810-R813 PolarHBondContact O-N 3.34Å; A811-R813 PolarHBondContact O-N 3.2Å; A811-R813 VanDerWaalsContact O-N 3.1Å; R813-K815 PolarHBondContact O-N 3.05Å
814	Q	83.6	Confident	88.2	Confident	151 Å²	151	58.8 Å²	58.8	71%	0.706	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	24.9	-179.3	-54.7	177.8	-6.3	0	0	114	F810 A811 W816	F810-Q814 PolarHBondContact O-N 3.25Å; A811-Q814 PolarHBondContact O-N 3.4Å; Q814-W816 HydrophobicContact CG-CZ2 4.37Å; Q814-W816 VanDerWaalsContact O-CD1 3.31Å; Q814-W816 PolarHBondContact O-N 3.39Å
815	K	86.3	Confident	88.1	Confident	112 Å²	112	62.4 Å²	62.4	49%	0.487	30%	0.3	S	S	.	.			trans	-96.7	61.5	176.3	-66.6	-173.2	-179.6	-176.4	0	110.8	F810 R813 L817 N818 A819	F810-K815 HydrophobicContact CB-CB 4.31Å; F810-K815 HydrophobicContact CD1-CB 4.01Å; F810-K815 HydrophobicContact CD1-CD 4.13Å; F810-K815 HydrophobicContact CE1-CD 4.5Å; F810-K815 PolarHBondContact O-N 2.95Å; R813-K815 PolarHBondContact O-N 3.05Å; K815-L817 PolarHBondContact O-N 3.21Å; K815-N818 PolarHBondContact O-N 2.49Å; K815-A819 PolarHBondContact O-N 3.04Å
816	W	88.1	Confident	88	Confident	41 Å²	41	61.5 Å²	61.5	16%	0.155	29%	0.293	C	S	.	.	H	α-helix	trans	-59.2	-38.8	-169.2	-51.1	107.8	0	0	0	114.3	A811 Q814 N818 A819 V820 M838 L839	A811-W816 HydrophobicContact CB-CE3 4.19Å; A811-W816 HydrophobicContact CB-CZ3 3.75Å; Q814-W816 HydrophobicContact CG-CZ2 4.37Å; Q814-W816 VanDerWaalsContact O-CD1 3.31Å; Q814-W816 PolarHBondContact O-N 3.39Å; W816-N818 VanDerWaalsContact C-N 3.3Å; W816-N818 PolarHBondContact O-N 2.88Å; W816-A819 WeakPolarHBondContact O-CB 3.47Å; W816-A819 PolarHBondContact O-N 2.93Å; W816-A819 VanDerWaalsContact O-N 3.08Å; W816-V820 WeakPolarHBondContact O-CG2 3.36Å; W816-V820 PolarHBondContact O-N 3.4Å; W816-M838 HydrophobicContact CD2-CB 3.74Å; W816-M838 HydrophobicContact CD2-CG 4.25Å; W816-M838 HydrophobicContact CE3-CB 4.16Å; W816-M838 HydrophobicContact CE3-CG 4.35Å; W816-M838 HydrophobicContact CG-CB 4.02Å; W816-M838 HydrophobicContact CH2-CG 4.02Å; W816-M838 HydrophobicContact CZ2-CB 4.17Å; W816-M838 HydrophobicContact CZ2-CE 3.93Å; W816-M838 HydrophobicContact CZ2-CG 3.92Å; W816-M838 HydrophobicContact CZ3-CG 4.23Å; W816-L839 HydrophobicContact CB-CD1 3.97Å; W816-L839 HydrophobicContact CB-CD2 3.64Å; W816-L839 HydrophobicContact CB-CG 3.52Å; W816-L839 HydrophobicContact CG-CG 4.48Å
817	L	88.9	Confident	87.9	Confident	128 Å²	128	71 Å²	71	67%	0.67	33%	0.328	S	S	*	.	H	α-helix	trans	-56.4	-41.5	177.8	-88.5	156.8	0	0	0	113	K815 L839	K815-L817 PolarHBondContact O-N 3.21Å; L817-L839 HydrophobicContact CD1-CD2 4.38Å; L817-L839 HydrophobicContact CD2-CD1 4.39Å; L817-L839 HydrophobicContact CG-CD1 4.16Å; L817-L839 HydrophobicContact CG-CD2 3.82Å
818	N	88.6	Confident	87.9	Confident	68 Å²	68	73 Å²	73	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-73.8	-38.1	178	-68.9	-7.2	0	0	0	110.5	F810 K815 W816 V820 Q821 Y822	F810-N818 HydrophobicContact CB-CB 4.37Å; F810-N818 HydrophobicContact CD1-CB 3.89Å; F810-N818 HydrophobicContact CD2-CB 4.08Å; F810-N818 HydrophobicContact CE1-CB 4.15Å; F810-N818 HydrophobicContact CE2-CB 4.33Å; F810-N818 HydrophobicContact CG-CB 3.86Å; F810-N818 HydrophobicContact CZ-CB 4.37Å; K815-N818 PolarHBondContact O-N 2.49Å; W816-N818 VanDerWaalsContact C-N 3.3Å; W816-N818 PolarHBondContact O-N 2.88Å; N818-V820 VanDerWaalsContact C-N 3.32Å; N818-V820 PolarHBondContact O-N 3.33Å; N818-Q821 PolarHBondContact O-N 3.49Å; N818-Y822 WeakPolarHBondContact O-CD2 3.27Å
819	A	90.8	Very high	87.9	Confident	0 Å²	0	74.3 Å²	74.3	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-59.7	-41	179.1	0	0	0	0	0	112.1	F810 A811 K815 W816 Q821 Y822 Y823	F810-A819 HydrophobicContact CB-CB 3.88Å; A811-A819 HydrophobicContact CB-CB 4.4Å; K815-A819 PolarHBondContact O-N 3.04Å; W816-A819 WeakPolarHBondContact O-CB 3.47Å; W816-A819 PolarHBondContact O-N 2.93Å; W816-A819 VanDerWaalsContact O-N 3.08Å; A819-Q821 VanDerWaalsContact C-N 3.31Å; A819-Q821 PolarHBondContact O-N 2.92Å; A819-Y822 PolarHBondContact O-N 3.41Å; A819-Y822 VanDerWaalsContact O-N 3.11Å; A819-Y823 HydrophobicContact CB-CD2 4.06Å; A819-Y823 HydrophobicContact CB-CE2 3.8Å; A819-Y823 VanDerWaalsContact O-CD2 3.24Å; A819-Y823 WeakPolarHBondContact O-CD2 3.45Å; A819-Y823 PolarHBondContact O-N 3.24Å
820	V	89.9	Confident	88	Confident	21 Å²	21	75.9 Å²	75.9	13%	0.127	35%	0.354	C	S	.	.	H	α-helix	trans	-52.3	-46.7	176.2	169.3	0	0	0	0	111.9	W816 N818 Y822 Y823 V824 L832 C835 Y836 L839	W816-V820 WeakPolarHBondContact O-CG2 3.36Å; W816-V820 PolarHBondContact O-N 3.4Å; N818-V820 VanDerWaalsContact C-N 3.32Å; N818-V820 PolarHBondContact O-N 3.33Å; V820-Y822 VanDerWaalsContact C-N 3.27Å; V820-Y822 PolarHBondContact O-N 3.48Å; V820-Y823 PolarHBondContact O-N 2.99Å; V820-V824 HydrophobicContact CG1-CG2 4.37Å; V820-V824 VanDerWaalsContact O-CG2 3.27Å; V820-V824 WeakPolarHBondContact O-CG2 3.24Å; V820-V824 PolarHBondContact O-N 2.9Å; V820-L832 HydrophobicContact CB-CD1 4.32Å; V820-L832 HydrophobicContact CG1-CD1 3.9Å; V820-L832 HydrophobicContact CG2-CD1 4.25Å; V820-C835 HydrophobicContact CG2-CB 3.63Å; V820-Y836 HydrophobicContact CG1-CE1 4.03Å; V820-Y836 HydrophobicContact CG2-CD1 4.48Å; V820-Y836 HydrophobicContact CG2-CE1 4.31Å; V820-L839 HydrophobicContact CG2-CD1 3.87Å
821	Q	90.3	Very high	88	Confident	113 Å²	113	78.9 Å²	78.9	53%	0.528	37%	0.365	S	S	.	.	H	α-helix	trans	-59.1	-39.9	-178.5	-63.8	-177.1	-4.9	0	0	112.2	N818 A819 Q825	N818-Q821 PolarHBondContact O-N 3.49Å; A819-Q821 VanDerWaalsContact C-N 3.31Å; A819-Q821 PolarHBondContact O-N 2.92Å; Q821-Q825 WeakPolarHBondContact O-CG 3.37Å; Q821-Q825 PolarHBondContact O-N 3.1Å
822	Y	91.1	Very high	88.3	Confident	54 Å²	54	79.3 Å²	79.3	21%	0.212	37%	0.367	C	S	.	.	H	α-helix	trans	-80.9	-36.5	-178.6	-68.1	-76.6	0	0	0	112.5	N803 I806 F810 N818 A819 V820 V824 Q825 G826	N803-Y822 WeakPolarHBondContact O-CB 3.45Å; I806-Y822 HydrophobicContact CB-CD1 4.17Å; I806-Y822 HydrophobicContact CB-CG 4.25Å; I806-Y822 HydrophobicContact CD1-CE1 4.4Å; I806-Y822 HydrophobicContact CG2-CD1 3.67Å; I806-Y822 HydrophobicContact CG2-CD2 3.65Å; I806-Y822 HydrophobicContact CG2-CE1 3.75Å; I806-Y822 HydrophobicContact CG2-CE2 3.77Å; I806-Y822 HydrophobicContact CG2-CG 3.62Å; F810-Y822 AromaticContact CD2-CD2 3.87Å; F810-Y822 HydrophobicContact CD2-CD2 3.87Å; F810-Y822 AromaticContact CD2-CE2 3.92Å; F810-Y822 HydrophobicContact CD2-CE2 3.92Å; F810-Y822 AromaticContact CE2-CD2 3.86Å; F810-Y822 HydrophobicContact CE2-CD2 3.86Å; F810-Y822 AromaticContact CE2-CE2 3.42Å; F810-Y822 HydrophobicContact CE2-CE2 3.42Å; F810-Y822 VanDerWaalsContact CE2-CE2 3.42Å; F810-Y822 HydrophobicContact CZ-CE2 4.38Å; N818-Y822 WeakPolarHBondContact O-CD2 3.27Å; A819-Y822 PolarHBondContact O-N 3.41Å; A819-Y822 VanDerWaalsContact O-N 3.11Å; V820-Y822 VanDerWaalsContact C-N 3.27Å; V820-Y822 PolarHBondContact O-N 3.48Å; Y822-V824 VanDerWaalsContact C-N 3.34Å; Y822-V824 PolarHBondContact O-N 3.33Å; Y822-Q825 CarbonylContact O-C 3.52Å; Y822-Q825 PolarHBondContact O-N 3.39Å; Y822-G826 PolarHBondContact O-N 2.9Å
823	Y	92.4	Very high	88.5	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-68.6	-31.6	175.6	-70.1	-50	0	0	0	113.2	G807 D808 A811 A819 V820 Q825 G826 R827 N828 R831 C835	G807-Y823 VanDerWaalsContact C-OH 3.26Å; G807-Y823 PolarHBondContact O-OH 3.26Å; D808-Y823 WeakPolarHBondContact CA-OH 3.35Å; D808-Y823 PolarHBondContact N-OH 3.49Å; D808-Y823 VanDerWaalsContact N-OH 3.1Å; D808-Y823 PolarHBondContact OD1-OH 3.35Å; A811-Y823 HydrophobicContact CB-CE2 4.39Å; A819-Y823 HydrophobicContact CB-CD2 4.06Å; A819-Y823 HydrophobicContact CB-CE2 3.8Å; A819-Y823 VanDerWaalsContact O-CD2 3.24Å; A819-Y823 WeakPolarHBondContact O-CD2 3.45Å; A819-Y823 PolarHBondContact O-N 3.24Å; V820-Y823 PolarHBondContact O-N 2.99Å; Y823-Q825 VanDerWaalsContact C-N 3.35Å; Y823-G826 CarbonylContact O-C 3.58Å; Y823-G826 PolarHBondContact O-N 3.32Å; Y823-R827 PolarHBondContact O-N 2.95Å; Y823-N828 HydrophobicContact CD1-CB 4.11Å; Y823-N828 PolarHBondContact O-N 3.49Å; Y823-R831 HydrophobicContact CD1-CB 3.94Å; Y823-R831 HydrophobicContact CD2-CB 4.04Å; Y823-R831 HydrophobicContact CE1-CB 3.66Å; Y823-R831 HydrophobicContact CE1-CG 3.95Å; Y823-R831 HydrophobicContact CE2-CB 3.77Å; Y823-R831 HydrophobicContact CG-CB 4.11Å; Y823-C835 WeakPolarHBondContact CE2-SG 3.37Å
824	V	89.6	Confident	88.9	Confident	83 Å²	83	71 Å²	71	50%	0.503	33%	0.329	S	S	.	.	H	α-helix	trans	-63.3	-43.5	170.5	171.3	0	0	0	0	110.5	V820 Y822 R827 L832	V820-V824 HydrophobicContact CG1-CG2 4.37Å; V820-V824 VanDerWaalsContact O-CG2 3.27Å; V820-V824 WeakPolarHBondContact O-CG2 3.24Å; V820-V824 PolarHBondContact O-N 2.9Å; Y822-V824 VanDerWaalsContact C-N 3.34Å; Y822-V824 PolarHBondContact O-N 3.33Å; V824-R827 PolarHBondContact O-N 3.36Å; V824-L832 HydrophobicContact CG2-CD1 3.96Å; V824-L832 HydrophobicContact CG2-CD2 4.03Å
825	Q	87.3	Confident	89.2	Confident	100 Å²	100	63.9 Å²	63.9	47%	0.467	30%	0.296	S	S	.	.	H	α-helix	trans	-69.3	-33.8	176.4	-68.5	174.9	32.9	0	0	112.7	N803 Q821 Y822 Y823 R827	N803-Q825 HydrophobicContact CB-CB 4.36Å; Q821-Q825 WeakPolarHBondContact O-CG 3.37Å; Q821-Q825 PolarHBondContact O-N 3.1Å; Y822-Q825 CarbonylContact O-C 3.52Å; Y822-Q825 PolarHBondContact O-N 3.39Å; Y823-Q825 VanDerWaalsContact C-N 3.35Å; Q825-R827 VanDerWaalsContact C-N 3.35Å
826	G	85.8	Confident	89.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4.6	177.7	0	0	0	0	0	114.8	E800 N804 Y822 Y823 N828	E800-G826 WeakPolarHBondContact CG-O 3.4Å; N804-G826 PolarHBondContact ND2-O 3.34Å; N804-G826 WeakPolarHBondContact OD1-CA 3.39Å; N804-G826 PolarHBondContact OD1-O 3.03Å; N804-G826 VanDerWaalsContact OD1-O 3.12Å; Y822-G826 PolarHBondContact O-N 2.9Å; Y823-G826 CarbonylContact O-C 3.58Å; Y823-G826 PolarHBondContact O-N 3.32Å; G826-N828 PolarHBondContact O-N 3.31Å
827	R	87.3	Confident	89.6	Confident	199 Å²	199	61.3 Å²	61.3	75%	0.751	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	24.4	176.7	-58.6	-179.8	178.6	173.9	2.1	115.2	Y823 V824 Q825 Q829	Y823-R827 PolarHBondContact O-N 2.95Å; V824-R827 PolarHBondContact O-N 3.36Å; Q825-R827 VanDerWaalsContact C-N 3.35Å; R827-Q829 PolarHBondContact O-N 3.03Å
828	N	89	Confident	89.6	Confident	42 Å²	42	59.6 Å²	59.6	23%	0.225	27%	0.273	C	S	.	.			trans	-90.7	96.3	179.7	-171.8	-19.1	0	0	0	111.4	N804 Y823 G826 E830 R831 L832	N804-N828 WeakPolarHBondContact OD1-CB 3.43Å; Y823-N828 HydrophobicContact CD1-CB 4.11Å; Y823-N828 PolarHBondContact O-N 3.49Å; G826-N828 PolarHBondContact O-N 3.31Å; N828-E830 PolarHBondContact OD1-N 3.2Å; N828-R831 PolarHBondContact OD1-N 2.77Å; N828-L832 VanDerWaalsContact O-CB 3.25Å; N828-L832 WeakPolarHBondContact O-CB 3.48Å; N828-L832 PolarHBondContact O-N 3.38Å
829	Q	88.8	Confident	89.6	Confident	79 Å²	79	59 Å²	59	37%	0.369	27%	0.269	S	S	.	.	H	α-helix	trans	-73.7	-27.9	-175.6	-65	178.8	-26.1	0	0	113.7	R827 A833 L848 L852 L858	R827-Q829 PolarHBondContact O-N 3.03Å; Q829-A833 PolarHBondContact O-N 2.96Å; Q829-A833 VanDerWaalsContact O-N 3.09Å; Q829-L848 HydrophobicContact CG-CD1 4.44Å; Q829-L852 VanDerWaalsContact OE1-CD2 3.28Å; Q829-L858 HydrophobicContact CB-CD1 3.98Å
830	E	90.1	Very high	89.5	Confident	128 Å²	128	65.6 Å²	65.6	60%	0.598	30%	0.301	S	S	*	.	H	α-helix	trans	-69.3	-52.1	-178.3	-42.8	-164.6	146.6	0	0	110.4	N828 L832 A833 E834 L858	N828-E830 PolarHBondContact OD1-N 3.2Å; E830-L832 VanDerWaalsContact C-N 3.28Å; E830-L832 PolarHBondContact O-N 3.43Å; E830-A833 WeakPolarHBondContact O-CB 3.46Å; E830-A833 PolarHBondContact O-N 3.13Å; E830-E834 PolarHBondContact O-N 2.84Å; E830-L858 HydrophobicContact CB-CD1 4.44Å; E830-L858 HydrophobicContact CB-CD2 3.96Å; E830-L858 HydrophobicContact CG-CD1 3.87Å; E830-L858 HydrophobicContact CG-CD2 3.62Å; E830-L858 HydrophobicContact CG-CG 4.25Å
831	R	89.3	Confident	89.5	Confident	88 Å²	88	67.6 Å²	67.6	33%	0.332	31%	0.31	S	S	.	.	H	α-helix	trans	-65.9	-31.6	176.5	-71.4	-61.1	-158.7	171.9	7.2	112.8	D808 Y823 N828 E834 C835	D808-R831 IonicContact OD1-NE 2.84Å; Y823-R831 HydrophobicContact CD1-CB 3.94Å; Y823-R831 HydrophobicContact CD2-CB 4.04Å; Y823-R831 HydrophobicContact CE1-CB 3.66Å; Y823-R831 HydrophobicContact CE1-CG 3.95Å; Y823-R831 HydrophobicContact CE2-CB 3.77Å; Y823-R831 HydrophobicContact CG-CB 4.11Å; N828-R831 PolarHBondContact OD1-N 2.77Å; R831-E834 WeakPolarHBondContact CD-OE2 3.4Å; R831-E834 IonicContact CZ-OE2 2.77Å; R831-E834 IonicContact NH1-OE1 2.87Å; R831-E834 IonicContact NH1-OE2 2.84Å; R831-E834 PolarHBondContact NH1-OE2 3.08Å; R831-E834 PolarHBondContact O-N 2.95Å; R831-C835 PolarHBondContact O-N 3.45Å; R831-C835 PolarHBondContact O-SG 3.36Å
832	L	91.1	Very high	89.5	Confident	14 Å²	14	64.6 Å²	64.6	7%	0.073	30%	0.295	C	S	.	.	H	α-helix	trans	-65.4	-41.5	175.6	-175.4	64.1	0	0	0	111.8	V820 V824 N828 E830 E834 C835 Y836 L848	V820-L832 HydrophobicContact CB-CD1 4.32Å; V820-L832 HydrophobicContact CG1-CD1 3.9Å; V820-L832 HydrophobicContact CG2-CD1 4.25Å; V824-L832 HydrophobicContact CG2-CD1 3.96Å; V824-L832 HydrophobicContact CG2-CD2 4.03Å; N828-L832 VanDerWaalsContact O-CB 3.25Å; N828-L832 WeakPolarHBondContact O-CB 3.48Å; N828-L832 PolarHBondContact O-N 3.38Å; E830-L832 VanDerWaalsContact C-N 3.28Å; E830-L832 PolarHBondContact O-N 3.43Å; L832-E834 VanDerWaalsContact C-N 3.34Å; L832-E834 PolarHBondContact O-N 3.04Å; L832-C835 PolarHBondContact O-N 3.34Å; L832-Y836 HydrophobicContact CD1-CD2 4.31Å; L832-Y836 HydrophobicContact CD1-CE1 4.46Å; L832-Y836 HydrophobicContact CD1-CE2 3.72Å; L832-Y836 HydrophobicContact CD2-CE2 3.88Å; L832-Y836 HydrophobicContact CG-CD2 3.97Å; L832-Y836 HydrophobicContact CG-CE2 3.48Å; L832-Y836 VanDerWaalsContact CG-CE2 3.48Å; L832-Y836 WeakPolarHBondContact O-CD2 3.27Å; L832-Y836 PolarHBondContact O-N 3.22Å; L832-L848 HydrophobicContact CD2-CD1 4.47Å
833	A	89.5	Confident	89.4	Confident	3 Å²	3	69.1 Å²	69.1	3%	0.025	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-43	174.3	0	0	0	0	0	111.7	Q829 E830 Y836 Y837 L845 L848 I862	Q829-A833 PolarHBondContact O-N 2.96Å; Q829-A833 VanDerWaalsContact O-N 3.09Å; E830-A833 WeakPolarHBondContact O-CB 3.46Å; E830-A833 PolarHBondContact O-N 3.13Å; A833-Y836 PolarHBondContact O-N 3.34Å; A833-Y837 WeakPolarHBondContact O-CB 3.34Å; A833-Y837 PolarHBondContact O-N 3Å; A833-L845 HydrophobicContact CB-CD1 3.86Å; A833-L848 HydrophobicContact CB-CD2 3.74Å; A833-I862 HydrophobicContact CB-CD1 4.47Å; A833-I862 HydrophobicContact CB-CG1 4.23Å
834	E	88.9	Confident	89.2	Confident	67 Å²	67	69.6 Å²	69.6	31%	0.313	32%	0.323	S	S	.	.	H	α-helix	trans	-60.5	-44.2	173.9	-173.7	179.9	-164.9	0	0	111.5	E830 R831 L832 Y837 M838	E830-E834 PolarHBondContact O-N 2.84Å; R831-E834 WeakPolarHBondContact CD-OE2 3.4Å; R831-E834 IonicContact CZ-OE2 2.77Å; R831-E834 IonicContact NH1-OE1 2.87Å; R831-E834 IonicContact NH1-OE2 2.84Å; R831-E834 PolarHBondContact NH1-OE2 3.08Å; R831-E834 PolarHBondContact O-N 2.95Å; L832-E834 VanDerWaalsContact C-N 3.34Å; L832-E834 PolarHBondContact O-N 3.04Å; E834-Y837 PolarHBondContact O-N 3.33Å; E834-M838 HydrophobicContact CG-CG 4.45Å; E834-M838 VanDerWaalsContact O-CG 3.28Å; E834-M838 WeakPolarHBondContact O-CG 3.13Å; E834-M838 PolarHBondContact O-N 3.46Å
835	C	90.8	Very high	89.2	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.007	30%	0.299	C	S	.	.	H	α-helix	trans	-62.2	-45.2	177.7	-69.3	0	0	0	0	112.6	V820 Y823 R831 L832 Y837 M838 L839	V820-C835 HydrophobicContact CG2-CB 3.63Å; Y823-C835 WeakPolarHBondContact CE2-SG 3.37Å; R831-C835 PolarHBondContact O-N 3.45Å; R831-C835 PolarHBondContact O-SG 3.36Å; L832-C835 PolarHBondContact O-N 3.34Å; C835-Y837 VanDerWaalsContact C-N 3.32Å; C835-Y837 PolarHBondContact O-N 2.91Å; C835-M838 PolarHBondContact O-N 3.31Å; C835-L839 WeakPolarHBondContact O-CB 3.49Å; C835-L839 WeakPolarHBondContact O-CG 3.48Å; C835-L839 PolarHBondContact O-N 2.91Å
836	Y	91.4	Very high	89.4	Confident	37 Å²	37	64.6 Å²	64.6	15%	0.145	29%	0.294	C	S	.	.	H	α-helix	trans	-62.6	-40.4	176.6	-72.5	-44	0	0	0	111.8	V820 L832 A833 L839 E840 D841 L848	V820-Y836 HydrophobicContact CG1-CE1 4.03Å; V820-Y836 HydrophobicContact CG2-CD1 4.48Å; V820-Y836 HydrophobicContact CG2-CE1 4.31Å; L832-Y836 HydrophobicContact CD1-CD2 4.31Å; L832-Y836 HydrophobicContact CD1-CE1 4.46Å; L832-Y836 HydrophobicContact CD1-CE2 3.72Å; L832-Y836 HydrophobicContact CD2-CE2 3.88Å; L832-Y836 HydrophobicContact CG-CD2 3.97Å; L832-Y836 HydrophobicContact CG-CE2 3.48Å; L832-Y836 VanDerWaalsContact CG-CE2 3.48Å; L832-Y836 WeakPolarHBondContact O-CD2 3.27Å; L832-Y836 PolarHBondContact O-N 3.22Å; A833-Y836 PolarHBondContact O-N 3.34Å; Y836-L839 PolarHBondContact O-N 3.38Å; Y836-E840 PolarHBondContact O-N 3.39Å; Y836-E840 VanDerWaalsContact O-N 3.14Å; Y836-D841 HydrophobicContact CD1-CB 4.01Å; Y836-D841 WeakPolarHBondContact CD1-OD2 3.12Å; Y836-D841 PolarHBondContact O-N 3.39Å; Y836-L848 HydrophobicContact CD2-CD2 4.4Å
837	Y	90.8	Very high	89.6	Confident	63 Å²	63	70 Å²	70	25%	0.247	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-46.2	174.8	-178.5	-99.9	0	0	0	112.4	A833 E834 C835 L839 E840 M865 V869	A833-Y837 WeakPolarHBondContact O-CB 3.34Å; A833-Y837 PolarHBondContact O-N 3Å; E834-Y837 PolarHBondContact O-N 3.33Å; C835-Y837 VanDerWaalsContact C-N 3.32Å; C835-Y837 PolarHBondContact O-N 2.91Å; Y837-L839 VanDerWaalsContact C-N 3.31Å; Y837-L839 PolarHBondContact O-N 3.48Å; Y837-E840 PolarHBondContact O-N 2.88Å; Y837-E840 VanDerWaalsContact O-N 3.16Å; Y837-M865 HydrophobicContact CD2-CB 3.66Å; Y837-M865 HydrophobicContact CD2-CG 3.85Å; Y837-M865 HydrophobicContact CD2-SD 4.16Å; Y837-M865 HydrophobicContact CE2-CB 3.83Å; Y837-M865 HydrophobicContact CE2-CG 4.13Å; Y837-M865 HydrophobicContact CG-CG 4.25Å; Y837-M865 HydrophobicContact CG-SD 4.12Å; Y837-V869 HydrophobicContact CD2-CG2 4.45Å; Y837-V869 HydrophobicContact CE2-CG2 3.74Å
838	M	88.8	Confident	89.7	Confident	91 Å²	91	61.1 Å²	61.1	45%	0.448	29%	0.29	S	S	.	.	H	α-helix	trans	-70.5	-24.7	179.5	-66.6	-56.5	-63.7	0	0	113.6	W816 E834 C835 E840	W816-M838 HydrophobicContact CD2-CB 3.74Å; W816-M838 HydrophobicContact CD2-CG 4.25Å; W816-M838 HydrophobicContact CE3-CB 4.16Å; W816-M838 HydrophobicContact CE3-CG 4.35Å; W816-M838 HydrophobicContact CG-CB 4.02Å; W816-M838 HydrophobicContact CH2-CG 4.02Å; W816-M838 HydrophobicContact CZ2-CB 4.17Å; W816-M838 HydrophobicContact CZ2-CE 3.93Å; W816-M838 HydrophobicContact CZ2-CG 3.92Å; W816-M838 HydrophobicContact CZ3-CG 4.23Å; E834-M838 HydrophobicContact CG-CG 4.45Å; E834-M838 VanDerWaalsContact O-CG 3.28Å; E834-M838 WeakPolarHBondContact O-CG 3.13Å; E834-M838 PolarHBondContact O-N 3.46Å; C835-M838 PolarHBondContact O-N 3.31Å; M838-E840 VanDerWaalsContact C-N 3.33Å
839	L	89.1	Confident	89.6	Confident	55 Å²	55	59.6 Å²	59.6	29%	0.288	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-6.4	172.9	-76	172.9	0	0	0	113.7	W816 L817 V820 C835 Y836 Y837 D841	W816-L839 HydrophobicContact CB-CD1 3.97Å; W816-L839 HydrophobicContact CB-CD2 3.64Å; W816-L839 HydrophobicContact CB-CG 3.52Å; W816-L839 HydrophobicContact CG-CG 4.48Å; L817-L839 HydrophobicContact CD1-CD2 4.38Å; L817-L839 HydrophobicContact CD2-CD1 4.39Å; L817-L839 HydrophobicContact CG-CD1 4.16Å; L817-L839 HydrophobicContact CG-CD2 3.82Å; V820-L839 HydrophobicContact CG2-CD1 3.87Å; C835-L839 WeakPolarHBondContact O-CB 3.49Å; C835-L839 WeakPolarHBondContact O-CG 3.48Å; C835-L839 PolarHBondContact O-N 2.91Å; Y836-L839 PolarHBondContact O-N 3.38Å; Y837-L839 VanDerWaalsContact C-N 3.31Å; Y837-L839 PolarHBondContact O-N 3.48Å; L839-D841 HydrophobicContact CB-CB 4.32Å; L839-D841 PolarHBondContact O-N 3.4Å
840	E	89.2	Confident	89.6	Confident	140 Å²	140	60.5 Å²	60.5	65%	0.654	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	23.8	-170.5	-51.3	-178.2	177.3	0	0	113	Y836 Y837 M838 Y842	Y836-E840 PolarHBondContact O-N 3.39Å; Y836-E840 VanDerWaalsContact O-N 3.14Å; Y837-E840 PolarHBondContact O-N 2.88Å; Y837-E840 VanDerWaalsContact O-N 3.16Å; M838-E840 VanDerWaalsContact C-N 3.33Å; E840-Y842 VanDerWaalsContact C-N 3.31Å; E840-Y842 HydrophobicContact CB-CE2 3.82Å; E840-Y842 VanDerWaalsContact O-CD2 3.23Å; E840-Y842 WeakPolarHBondContact O-CD2 3.43Å; E840-Y842 WeakPolarHBondContact O-CE2 3.44Å; E840-Y842 PolarHBondContact O-N 3.12Å; E840-Y842 VanDerWaalsContact O-N 3.07Å
841	D	89.9	Confident	89.5	Confident	62 Å²	62	58.1 Å²	58.1	33%	0.332	29%	0.292	S	S	.	.			trans	-84.5	75.3	174.3	-177.4	5.8	0	0	0	109.9	Y836 L839 E843 G844 L845	Y836-D841 HydrophobicContact CD1-CB 4.01Å; Y836-D841 WeakPolarHBondContact CD1-OD2 3.12Å; Y836-D841 PolarHBondContact O-N 3.39Å; L839-D841 HydrophobicContact CB-CB 4.32Å; L839-D841 PolarHBondContact O-N 3.4Å; D841-E843 VanDerWaalsContact C-N 3.3Å; D841-E843 PolarHBondContact O-N 2.97Å; D841-G844 PolarHBondContact O-N 3.08Å; D841-G844 PolarHBondContact OD1-N 2.88Å; D841-L845 PolarHBondContact O-N 3.29Å; D841-L845 VanDerWaalsContact O-N 3.15Å
842	Y	90.3	Very high	89.4	Confident	51 Å²	51	54.1 Å²	54.1	20%	0.2	28%	0.277	C	S	.	.	H	α-helix	trans	-71.2	-25.2	-177.4	-54.5	-60.7	0	0	0	113.1	E840 L845 E846 V869 M871	E840-Y842 VanDerWaalsContact C-N 3.31Å; E840-Y842 HydrophobicContact CB-CE2 3.82Å; E840-Y842 VanDerWaalsContact O-CD2 3.23Å; E840-Y842 WeakPolarHBondContact O-CD2 3.43Å; E840-Y842 WeakPolarHBondContact O-CE2 3.44Å; E840-Y842 PolarHBondContact O-N 3.12Å; E840-Y842 VanDerWaalsContact O-N 3.07Å; Y842-L845 PolarHBondContact O-N 2.92Å; Y842-E846 WeakPolarHBondContact O-CB 3.48Å; Y842-E846 PolarHBondContact O-N 3.37Å; Y842-V869 HydrophobicContact CD1-CG1 4.44Å; Y842-V869 HydrophobicContact CD1-CG2 4.43Å; Y842-V869 HydrophobicContact CE1-CB 4.29Å; Y842-V869 HydrophobicContact CE1-CG1 3.86Å; Y842-V869 HydrophobicContact CE1-CG2 3.55Å; Y842-V869 HydrophobicContact CE2-CG1 4.05Å; Y842-M871 HydrophobicContact CD1-SD 4.45Å; Y842-M871 HydrophobicContact CD2-CE 3.86Å; Y842-M871 HydrophobicContact CD2-SD 4.45Å; Y842-M871 HydrophobicContact CG-CE 3.9Å; Y842-M871 HydrophobicContact CG-SD 3.97Å
843	E	88.6	Confident	89.3	Confident	149 Å²	149	57.5 Å²	57.5	70%	0.696	30%	0.299	S	S	*	.	H	α-helix	trans	-68	-43.5	173.4	-66.4	-174.8	179.6	0	0	110.7	D841 L845 E846 N847	D841-E843 VanDerWaalsContact C-N 3.3Å; D841-E843 PolarHBondContact O-N 2.97Å; E843-L845 VanDerWaalsContact C-N 3.32Å; E843-L845 PolarHBondContact O-N 3.23Å; E843-E846 PolarHBondContact O-N 2.9Å; E843-N847 WeakPolarHBondContact O-CB 3.4Å; E843-N847 VanDerWaalsContact O-CG 3.29Å; E843-N847 PolarHBondContact O-N 3.14Å; E843-N847 PolarHBondContact O-ND2 3.45Å
844	G	86.8	Confident	89.1	Confident	10 Å²	10	64.9 Å²	64.9	10%	0.103	33%	0.334	C	S	.	.	H	α-helix	trans	-58.9	-42.2	171.7	0	0	0	0	0	112.5	D841 N847 L848	D841-G844 PolarHBondContact O-N 3.08Å; D841-G844 PolarHBondContact OD1-N 2.88Å; G844-N847 PolarHBondContact O-N 3.49Å; G844-L848 WeakPolarHBondContact O-CB 3.31Å; G844-L848 PolarHBondContact O-N 3.3Å
845	L	90.9	Very high	88.9	Confident	0 Å²	0	66.8 Å²	66.8	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-67.1	-38.6	177.2	-170.1	63.5	0	0	0	112.8	A833 D841 Y842 E843 L848 A849 I862 M865 F866	A833-L845 HydrophobicContact CB-CD1 3.86Å; D841-L845 PolarHBondContact O-N 3.29Å; D841-L845 VanDerWaalsContact O-N 3.15Å; Y842-L845 PolarHBondContact O-N 2.92Å; E843-L845 VanDerWaalsContact C-N 3.32Å; E843-L845 PolarHBondContact O-N 3.23Å; L845-L848 PolarHBondContact O-N 2.92Å; L845-A849 PolarHBondContact O-N 3.46Å; L845-I862 HydrophobicContact CD1-CG1 4.15Å; L845-I862 HydrophobicContact CD1-CG2 3.93Å; L845-I862 HydrophobicContact CD2-CG2 4.2Å; L845-I862 HydrophobicContact CG-CG2 3.81Å; L845-M865 HydrophobicContact CD1-SD 4.47Å; L845-M865 HydrophobicContact CD2-CB 4.24Å; L845-M865 HydrophobicContact CD2-SD 4.31Å; L845-F866 HydrophobicContact CB-CE1 4.43Å; L845-F866 HydrophobicContact CB-CZ 4.12Å; L845-F866 HydrophobicContact CD2-CD1 4.42Å; L845-F866 HydrophobicContact CD2-CE1 3.9Å; L845-F866 HydrophobicContact CD2-CE2 4.44Å; L845-F866 HydrophobicContact CD2-CZ 3.9Å; L845-F866 HydrophobicContact CG-CE1 4.27Å; L845-F866 HydrophobicContact CG-CE2 4.37Å; L845-F866 HydrophobicContact CG-CZ 3.82Å
846	E	90.5	Very high	88.7	Confident	77 Å²	77	69.3 Å²	69.3	36%	0.36	36%	0.357	S	S	.	.	H	α-helix	trans	-65.2	-47	175	-178.7	171.8	-172	0	0	111.1	Y842 E843 L848 A849 V850 F866	Y842-E846 WeakPolarHBondContact O-CB 3.48Å; Y842-E846 PolarHBondContact O-N 3.37Å; E843-E846 PolarHBondContact O-N 2.9Å; E846-L848 VanDerWaalsContact C-N 3.26Å; E846-L848 PolarHBondContact O-N 3.08Å; E846-A849 WeakPolarHBondContact O-CB 3.47Å; E846-A849 PolarHBondContact O-N 3.02Å; E846-A849 VanDerWaalsContact O-N 3.11Å; E846-V850 WeakPolarHBondContact O-CG2 3.42Å; E846-V850 PolarHBondContact O-N 2.98Å; E846-F866 HydrophobicContact CB-CZ 4.22Å
847	N	90.2	Very high	88.5	Confident	113 Å²	113	76.2 Å²	76.2	60%	0.604	39%	0.388	S	S	*	.	H	α-helix	trans	-58.2	-40.1	175.1	-73.2	-43.1	0	0	0	111.7	E843 G844 V850 S851	E843-N847 WeakPolarHBondContact O-CB 3.4Å; E843-N847 VanDerWaalsContact O-CG 3.29Å; E843-N847 PolarHBondContact O-N 3.14Å; E843-N847 PolarHBondContact O-ND2 3.45Å; G844-N847 PolarHBondContact O-N 3.49Å; N847-V850 PolarHBondContact O-N 3.45Å; N847-S851 WeakPolarHBondContact O-CB 3.35Å; N847-S851 PolarHBondContact O-N 3.35Å
848	L	89.3	Confident	88.4	Confident	13 Å²	13	73.4 Å²	73.4	7%	0.068	38%	0.377	C	S	.	.	H	α-helix	trans	-61.9	-49.8	173.7	-176.4	61.8	0	0	0	110.8	Q829 L832 A833 Y836 G844 L845 E846 V850 S851 L852	Q829-L848 HydrophobicContact CG-CD1 4.44Å; L832-L848 HydrophobicContact CD2-CD1 4.47Å; A833-L848 HydrophobicContact CB-CD2 3.74Å; Y836-L848 HydrophobicContact CD2-CD2 4.4Å; G844-L848 WeakPolarHBondContact O-CB 3.31Å; G844-L848 PolarHBondContact O-N 3.3Å; L845-L848 PolarHBondContact O-N 2.92Å; E846-L848 VanDerWaalsContact C-N 3.26Å; E846-L848 PolarHBondContact O-N 3.08Å; L848-V850 VanDerWaalsContact C-N 3.29Å; L848-V850 PolarHBondContact O-N 3.32Å; L848-S851 PolarHBondContact O-N 3.39Å; L848-S851 VanDerWaalsContact O-N 3.13Å; L848-S851 PolarHBondContact O-OG 3.18Å; L848-L852 WeakPolarHBondContact O-CG 3.31Å; L848-L852 PolarHBondContact O-N 3.46Å; L848-L852 VanDerWaalsContact O-N 3.13Å
849	A	87.6	Confident	88.4	Confident	10 Å²	10	69.1 Å²	69.1	8%	0.083	36%	0.356	C	S	.	.	H	α-helix	trans	-59.4	-36.9	177.5	0	0	0	0	0	113.2	L845 E846 L859 I862 K881	L845-A849 PolarHBondContact O-N 3.46Å; E846-A849 WeakPolarHBondContact O-CB 3.47Å; E846-A849 PolarHBondContact O-N 3.02Å; E846-A849 VanDerWaalsContact O-N 3.11Å; A849-L859 HydrophobicContact CB-CD2 4.1Å; A849-L859 WeakPolarHBondContact O-CD2 3.46Å; A849-I862 HydrophobicContact CB-CG2 4.05Å; A849-K881 PolarHBondContact O-NZ 3.21Å
850	V	88.2	Confident	88.4	Confident	98 Å²	98	68.1 Å²	68.1	59%	0.594	35%	0.353	S	S	*	.	H	α-helix	trans	-67.8	-42.7	175.4	172.8	0	0	0	0	110.9	E846 N847 L848 L852 K881	E846-V850 WeakPolarHBondContact O-CG2 3.42Å; E846-V850 PolarHBondContact O-N 2.98Å; N847-V850 PolarHBondContact O-N 3.45Å; L848-V850 VanDerWaalsContact C-N 3.29Å; L848-V850 PolarHBondContact O-N 3.32Å; V850-L852 VanDerWaalsContact C-N 3.27Å; V850-L852 PolarHBondContact O-N 3.35Å; V850-K881 PolarHBondContact O-NZ 2.96Å
851	S	88.4	Confident	88.3	Confident	79 Å²	79	66.7 Å²	66.7	55%	0.552	35%	0.347	S	S	*	.	H	α-helix	trans	-66.9	-24.5	-179.8	76.3	0	0	0	0	114.1	N847 L848	N847-S851 WeakPolarHBondContact O-CB 3.35Å; N847-S851 PolarHBondContact O-N 3.35Å; L848-S851 PolarHBondContact O-N 3.39Å; L848-S851 VanDerWaalsContact O-N 3.13Å; L848-S851 PolarHBondContact O-OG 3.18Å
852	L	88.1	Confident	88.4	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.021	33%	0.331	C	S	.	.	S	Bend	trans	-70.5	144.5	179.9	-70.7	174.4	0	0	0	112.1	Q829 L848 V850 H856 L858 L859 I862 K881	Q829-L852 VanDerWaalsContact OE1-CD2 3.28Å; L848-L852 WeakPolarHBondContact O-CG 3.31Å; L848-L852 PolarHBondContact O-N 3.46Å; L848-L852 VanDerWaalsContact O-N 3.13Å; V850-L852 VanDerWaalsContact C-N 3.27Å; V850-L852 PolarHBondContact O-N 3.35Å; L852-H856 HydrophobicContact CB-CB 4.11Å; L852-L858 HydrophobicContact CD1-CB 4.07Å; L852-L859 HydrophobicContact CB-CD2 4.17Å; L852-L859 HydrophobicContact CB-CG 4.25Å; L852-L859 HydrophobicContact CD1-CD2 4.05Å; L852-L859 HydrophobicContact CD1-CG 4.15Å; L852-I862 HydrophobicContact CD1-CD1 3.69Å; L852-K881 VanDerWaalsContact O-CE 3.23Å; L852-K881 WeakPolarHBondContact O-CE 3.36Å; L852-K881 PolarHBondContact O-NZ 3.14Å
853	P	87.9	Confident	88.3	Confident	84 Å²	84	61.4 Å²	61.4	55%	0.545	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-61	159.6	173.3	-21.1	31.7	0	0	0	113.3	H856 L859	P853-H856 WeakPolarHBondContact O-CB 3.39Å; P853-H856 PolarHBondContact O-N 2.96Å; P853-L859 VanDerWaalsContact O-CD1 3.32Å; P853-L859 WeakPolarHBondContact O-CD1 3.32Å
854	E	85.2	Confident	88.4	Confident	159 Å²	159	59 Å²	59	74%	0.743	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	139.7	170.9	-65.8	-176.2	175.3	0	0	111.2	H856 K881	E854-H856 PolarHBondContact O-N 3.31Å; E854-K881 HydrophobicContact CG-CG 4.39Å
855	N	84.4	Confident	88.5	Confident	106 Å²	106	60.3 Å²	60.3	57%	0.567	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	24.9	-175.8	-60.4	-39.6	0	0	0	115.9	K881 C882	N855-K881 PolarHBondContact N-O 3.22Å; N855-C882 VanDerWaalsContact OD1-C 3.31Å; N855-C882 WeakPolarHBondContact OD1-CA 3.29Å; N855-C882 PolarHBondContact OD1-O 3.46Å
856	H	87.6	Confident	88.5	Confident	55 Å²	55	60.4 Å²	60.4	26%	0.255	32%	0.315	S	S	.	.			trans	-61.8	141.3	171.1	-166.8	-91.5	0	0	0	111.8	L852 P853 E854 L858 L859 P860	L852-H856 HydrophobicContact CB-CB 4.11Å; P853-H856 WeakPolarHBondContact O-CB 3.39Å; P853-H856 PolarHBondContact O-N 2.96Å; E854-H856 PolarHBondContact O-N 3.31Å; H856-L858 PolarHBondContact ND1-N 2.93Å; H856-L858 PolarHBondContact O-N 2.94Å; H856-L858 VanDerWaalsContact O-N 3.13Å; H856-L859 HydrophobicContact CB-CD1 4.04Å; H856-L859 HydrophobicContact CB-CG 4.14Å; H856-L859 PolarHBondContact O-N 3.35Å; H856-L859 VanDerWaalsContact O-N 3.1Å; H856-P860 WeakPolarHBondContact O-CD 3.41Å
857	K	87.2	Confident	88.5	Confident	181 Å²	181	57.9 Å²	57.9	79%	0.787	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-28.7	-174.9	-68.2	-177.2	179.9	178.1	0	114.5	P860	K857-P860 WeakPolarHBondContact O-CD 3.17Å
858	L	88.9	Confident	88.4	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.026	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-19.6	-179.7	-62.8	171.2	0	0	0	114.2	Q829 E830 L852 H856 E861 I862	Q829-L858 HydrophobicContact CB-CD1 3.98Å; E830-L858 HydrophobicContact CB-CD1 4.44Å; E830-L858 HydrophobicContact CB-CD2 3.96Å; E830-L858 HydrophobicContact CG-CD1 3.87Å; E830-L858 HydrophobicContact CG-CD2 3.62Å; E830-L858 HydrophobicContact CG-CG 4.25Å; L852-L858 HydrophobicContact CD1-CB 4.07Å; H856-L858 PolarHBondContact ND1-N 2.93Å; H856-L858 PolarHBondContact O-N 2.94Å; H856-L858 VanDerWaalsContact O-N 3.13Å; L858-E861 PolarHBondContact O-N 3.15Å; L858-E861 VanDerWaalsContact O-N 3.12Å; L858-I862 HydrophobicContact CB-CD1 4.32Å; L858-I862 WeakPolarHBondContact O-CG1 3.41Å; L858-I862 PolarHBondContact O-N 3.31Å
859	L	88.1	Confident	88.3	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-62.2	-39.8	-176	-75.2	169.6	0	0	0	113.4	A849 L852 P853 H856 E861 I862 A863 K881 C882	A849-L859 HydrophobicContact CB-CD2 4.1Å; A849-L859 WeakPolarHBondContact O-CD2 3.46Å; L852-L859 HydrophobicContact CB-CD2 4.17Å; L852-L859 HydrophobicContact CB-CG 4.25Å; L852-L859 HydrophobicContact CD1-CD2 4.05Å; L852-L859 HydrophobicContact CD1-CG 4.15Å; P853-L859 VanDerWaalsContact O-CD1 3.32Å; P853-L859 WeakPolarHBondContact O-CD1 3.32Å; H856-L859 HydrophobicContact CB-CD1 4.04Å; H856-L859 HydrophobicContact CB-CG 4.14Å; H856-L859 PolarHBondContact O-N 3.35Å; H856-L859 VanDerWaalsContact O-N 3.1Å; L859-E861 VanDerWaalsContact C-N 3.31Å; L859-E861 PolarHBondContact O-N 3.5Å; L859-I862 PolarHBondContact O-N 2.93Å; L859-A863 VanDerWaalsContact O-CB 3.28Å; L859-A863 WeakPolarHBondContact O-CB 3.49Å; L859-A863 PolarHBondContact O-N 3.27Å; L859-K881 HydrophobicContact CD1-CB 4.47Å; L859-K881 HydrophobicContact CD1-CD 4.04Å; L859-K881 HydrophobicContact CD1-CG 4.03Å; L859-K881 HydrophobicContact CD2-CD 4.42Å; L859-C882 WeakPolarHBondContact CB-SG 3.42Å
860	P	89	Confident	88.3	Confident	35 Å²	35	64.8 Å²	64.8	23%	0.227	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-35.7	172.6	-23.9	34.6	0	0	0	113.5	H856 K857 A863 Q864	H856-P860 WeakPolarHBondContact O-CD 3.41Å; K857-P860 WeakPolarHBondContact O-CD 3.17Å; P860-A863 PolarHBondContact O-N 3.18Å; P860-Q864 WeakPolarHBondContact O-CG 3.26Å; P860-Q864 PolarHBondContact O-N 3.05Å
861	E	88.3	Confident	88.2	Confident	110 Å²	110	62.9 Å²	62.9	51%	0.514	32%	0.322	S	S	.	.	H	α-helix	trans	-70.5	-44.8	178.7	-63.8	-178	-177.8	0	0	110.9	L858 L859 A863 Q864 M865	L858-E861 PolarHBondContact O-N 3.15Å; L858-E861 VanDerWaalsContact O-N 3.12Å; L859-E861 VanDerWaalsContact C-N 3.31Å; L859-E861 PolarHBondContact O-N 3.5Å; E861-A863 VanDerWaalsContact C-N 3.32Å; E861-A863 PolarHBondContact O-N 2.9Å; E861-Q864 WeakPolarHBondContact O-CB 3.3Å; E861-Q864 PolarHBondContact O-N 3.34Å; E861-M865 WeakPolarHBondContact O-CG 3.29Å; E861-M865 PolarHBondContact O-N 3.4Å
862	I	90.1	Very high	88.1	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-40.4	173.8	-63.5	167.9	0	0	0	110.8	A833 L845 A849 L852 L858 L859 Q864 M865 F866	A833-I862 HydrophobicContact CB-CD1 4.47Å; A833-I862 HydrophobicContact CB-CG1 4.23Å; L845-I862 HydrophobicContact CD1-CG1 4.15Å; L845-I862 HydrophobicContact CD1-CG2 3.93Å; L845-I862 HydrophobicContact CD2-CG2 4.2Å; L845-I862 HydrophobicContact CG-CG2 3.81Å; A849-I862 HydrophobicContact CB-CG2 4.05Å; L852-I862 HydrophobicContact CD1-CD1 3.69Å; L858-I862 HydrophobicContact CB-CD1 4.32Å; L858-I862 WeakPolarHBondContact O-CG1 3.41Å; L858-I862 PolarHBondContact O-N 3.31Å; L859-I862 PolarHBondContact O-N 2.93Å; I862-Q864 VanDerWaalsContact C-N 3.34Å; I862-Q864 PolarHBondContact O-N 2.89Å; I862-M865 WeakPolarHBondContact O-CB 3.38Å; I862-M865 PolarHBondContact O-N 3.34Å; I862-M865 VanDerWaalsContact O-N 3.17Å; I862-F866 HydrophobicContact CG2-CD2 3.9Å; I862-F866 HydrophobicContact CG2-CE2 3.47Å; I862-F866 VanDerWaalsContact CG2-CE2 3.47Å; I862-F866 HydrophobicContact CG2-CZ 4.25Å; I862-F866 VanDerWaalsContact O-CD2 3.31Å; I862-F866 WeakPolarHBondContact O-CD2 3.39Å; I862-F866 PolarHBondContact O-N 2.94Å
863	A	89.1	Confident	88.2	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.8	-44.8	175.2	0	0	0	0	0	111.2	L859 P860 E861 M865 F866 V867 A878 F879	L859-A863 VanDerWaalsContact O-CB 3.28Å; L859-A863 WeakPolarHBondContact O-CB 3.49Å; L859-A863 PolarHBondContact O-N 3.27Å; P860-A863 PolarHBondContact O-N 3.18Å; E861-A863 VanDerWaalsContact C-N 3.32Å; E861-A863 PolarHBondContact O-N 2.9Å; A863-M865 VanDerWaalsContact C-N 3.33Å; A863-M865 PolarHBondContact O-N 2.89Å; A863-F866 PolarHBondContact O-N 3.02Å; A863-V867 WeakPolarHBondContact O-CG2 3.41Å; A863-V867 PolarHBondContact O-N 2.86Å; A863-A878 HydrophobicContact CB-CB 3.67Å; A863-F879 HydrophobicContact CB-CD1 3.8Å; A863-F879 HydrophobicContact CB-CD2 3.9Å; A863-F879 HydrophobicContact CB-CE1 3.6Å; A863-F879 HydrophobicContact CB-CE2 3.71Å; A863-F879 HydrophobicContact CB-CG 3.94Å; A863-F879 HydrophobicContact CB-CZ 3.54Å
864	Q	89.8	Confident	88.3	Confident	100 Å²	100	63.1 Å²	63.1	47%	0.467	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-36	175	-72.8	177.8	20.4	0	0	112.9	P860 E861 I862 V867 R868 F879	P860-Q864 WeakPolarHBondContact O-CG 3.26Å; P860-Q864 PolarHBondContact O-N 3.05Å; E861-Q864 WeakPolarHBondContact O-CB 3.3Å; E861-Q864 PolarHBondContact O-N 3.34Å; I862-Q864 VanDerWaalsContact C-N 3.34Å; I862-Q864 PolarHBondContact O-N 2.89Å; Q864-V867 PolarHBondContact O-N 3.11Å; Q864-R868 WeakPolarHBondContact O-CG 3.44Å; Q864-R868 PolarHBondContact O-N 3.48Å; Q864-F879 HydrophobicContact CG-CZ 4.35Å
865	M	90.5	Very high	88.5	Confident	36 Å²	36	55.5 Å²	55.5	18%	0.177	27%	0.273	C	S	.	.	H	α-helix	trans	-58.6	-47.2	171.9	-70.4	175.3	-179.6	0	0	110.7	Y837 L845 E861 I862 A863 V867 R868 V869	Y837-M865 HydrophobicContact CD2-CB 3.66Å; Y837-M865 HydrophobicContact CD2-CG 3.85Å; Y837-M865 HydrophobicContact CD2-SD 4.16Å; Y837-M865 HydrophobicContact CE2-CB 3.83Å; Y837-M865 HydrophobicContact CE2-CG 4.13Å; Y837-M865 HydrophobicContact CG-CG 4.25Å; Y837-M865 HydrophobicContact CG-SD 4.12Å; L845-M865 HydrophobicContact CD1-SD 4.47Å; L845-M865 HydrophobicContact CD2-CB 4.24Å; L845-M865 HydrophobicContact CD2-SD 4.31Å; E861-M865 WeakPolarHBondContact O-CG 3.29Å; E861-M865 PolarHBondContact O-N 3.4Å; I862-M865 WeakPolarHBondContact O-CB 3.38Å; I862-M865 PolarHBondContact O-N 3.34Å; I862-M865 VanDerWaalsContact O-N 3.17Å; A863-M865 VanDerWaalsContact C-N 3.33Å; A863-M865 PolarHBondContact O-N 2.89Å; M865-V867 PolarHBondContact O-N 3.33Å; M865-R868 PolarHBondContact O-N 2.96Å; M865-V869 WeakPolarHBondContact O-CG2 3.47Å; M865-V869 PolarHBondContact O-N 3.26Å
866	F	91.3	Very high	88.7	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-63.2	-37.1	175	-70.6	-53.7	0	0	0	113.3	L845 E846 I862 A863 R868 V869 G870 M871 Q874 A875	L845-F866 HydrophobicContact CB-CE1 4.43Å; L845-F866 HydrophobicContact CB-CZ 4.12Å; L845-F866 HydrophobicContact CD2-CD1 4.42Å; L845-F866 HydrophobicContact CD2-CE1 3.9Å; L845-F866 HydrophobicContact CD2-CE2 4.44Å; L845-F866 HydrophobicContact CD2-CZ 3.9Å; L845-F866 HydrophobicContact CG-CE1 4.27Å; L845-F866 HydrophobicContact CG-CE2 4.37Å; L845-F866 HydrophobicContact CG-CZ 3.82Å; E846-F866 HydrophobicContact CB-CZ 4.22Å; I862-F866 HydrophobicContact CG2-CD2 3.9Å; I862-F866 HydrophobicContact CG2-CE2 3.47Å; I862-F866 VanDerWaalsContact CG2-CE2 3.47Å; I862-F866 HydrophobicContact CG2-CZ 4.25Å; I862-F866 VanDerWaalsContact O-CD2 3.31Å; I862-F866 WeakPolarHBondContact O-CD2 3.39Å; I862-F866 PolarHBondContact O-N 2.94Å; A863-F866 PolarHBondContact O-N 3.02Å; F866-R868 PolarHBondContact O-N 2.93Å; F866-V869 PolarHBondContact O-N 3.39Å; F866-G870 PolarHBondContact O-N 3.41Å; F866-M871 HydrophobicContact CB-CB 4.15Å; F866-M871 HydrophobicContact CD1-CB 3.98Å; F866-M871 HydrophobicContact CD1-CG 4.5Å; F866-M871 HydrophobicContact CD1-SD 3.82Å; F866-M871 HydrophobicContact CE1-SD 4.01Å; F866-M871 HydrophobicContact CG-CB 4.44Å; F866-M871 PolarHBondContact O-N 3.41Å; F866-Q874 HydrophobicContact CB-CB 4.5Å; F866-Q874 HydrophobicContact CD1-CB 3.99Å; F866-Q874 HydrophobicContact CD2-CB 3.89Å; F866-Q874 HydrophobicContact CE1-CB 4.11Å; F866-Q874 HydrophobicContact CE1-CG 4.5Å; F866-Q874 HydrophobicContact CE2-CB 4Å; F866-Q874 HydrophobicContact CG-CB 3.89Å; F866-Q874 HydrophobicContact CZ-CB 4.12Å; F866-A875 HydrophobicContact CB-CB 3.79Å
867	V	89.6	Confident	88.8	Confident	25 Å²	25	52.2 Å²	52.2	15%	0.152	26%	0.261	C	S	.	.	H	α-helix	trans	-60.3	-45.4	174.8	177.5	0	0	0	0	111.3	A863 Q864 M865 V869 G870 A875 F879 T891	A863-V867 WeakPolarHBondContact O-CG2 3.41Å; A863-V867 PolarHBondContact O-N 2.86Å; Q864-V867 PolarHBondContact O-N 3.11Å; M865-V867 PolarHBondContact O-N 3.33Å; V867-V869 VanDerWaalsContact C-N 3.27Å; V867-V869 PolarHBondContact O-N 2.98Å; V867-G870 PolarHBondContact O-N 2.95Å; V867-G870 VanDerWaalsContact O-N 3.12Å; V867-A875 HydrophobicContact CG2-CB 3.84Å; V867-F879 HydrophobicContact CG2-CE2 3.73Å; V867-F879 HydrophobicContact CG2-CZ 4.34Å; V867-T891 HydrophobicContact CG1-CG2 4.47Å; V867-T891 HydrophobicContact CG2-CG2 3.61Å
868	R	88	Confident	88.9	Confident	187 Å²	187	43.8 Å²	43.8	71%	0.706	23%	0.225	S	C	*	.	H	α-helix	trans	-63	-34.5	-179.4	-71	175.7	-175.2	-174.2	3.7	112.6	Q864 M865 F866	Q864-R868 WeakPolarHBondContact O-CG 3.44Å; Q864-R868 PolarHBondContact O-N 3.48Å; M865-R868 PolarHBondContact O-N 2.96Å; F866-R868 PolarHBondContact O-N 2.93Å
869	V	88.3	Confident	88.9	Confident	54 Å²	54	44.1 Å²	44.1	33%	0.327	23%	0.226	S	C	.	.	H	α-helix	trans	-79.1	-22.2	178	178.7	0	0	0	0	111.6	Y837 Y842 M865 F866 V867 M871	Y837-V869 HydrophobicContact CD2-CG2 4.45Å; Y837-V869 HydrophobicContact CE2-CG2 3.74Å; Y842-V869 HydrophobicContact CD1-CG1 4.44Å; Y842-V869 HydrophobicContact CD1-CG2 4.43Å; Y842-V869 HydrophobicContact CE1-CB 4.29Å; Y842-V869 HydrophobicContact CE1-CG1 3.86Å; Y842-V869 HydrophobicContact CE1-CG2 3.55Å; Y842-V869 HydrophobicContact CE2-CG1 4.05Å; M865-V869 WeakPolarHBondContact O-CG2 3.47Å; M865-V869 PolarHBondContact O-N 3.26Å; F866-V869 PolarHBondContact O-N 3.39Å; V867-V869 VanDerWaalsContact C-N 3.27Å; V867-V869 PolarHBondContact O-N 2.98Å; V869-M871 HydrophobicContact CG1-CG 4.19Å
870	G	85.6	Confident	88.9	Confident	39 Å²	39	47.6 Å²	47.6	40%	0.402	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	12.1	-177.8	0	0	0	0	0	114.6	F866 V867 C872	F866-G870 PolarHBondContact O-N 3.41Å; V867-G870 PolarHBondContact O-N 2.95Å; V867-G870 VanDerWaalsContact O-N 3.12Å; G870-C872 PolarHBondContact O-N 3.16Å
871	M	87.8	Confident	88.8	Confident	58 Å²	58	48.7 Å²	48.7	29%	0.286	25%	0.246	S	C	.	.			trans	-78.8	81.5	176.5	-76.6	-171.4	160	0	0	111.1	Y842 F866 V869 E873 Q874 A875	Y842-M871 HydrophobicContact CD1-SD 4.45Å; Y842-M871 HydrophobicContact CD2-CE 3.86Å; Y842-M871 HydrophobicContact CD2-SD 4.45Å; Y842-M871 HydrophobicContact CG-CE 3.9Å; Y842-M871 HydrophobicContact CG-SD 3.97Å; F866-M871 HydrophobicContact CB-CB 4.15Å; F866-M871 HydrophobicContact CD1-CB 3.98Å; F866-M871 HydrophobicContact CD1-CG 4.5Å; F866-M871 HydrophobicContact CD1-SD 3.82Å; F866-M871 HydrophobicContact CE1-SD 4.01Å; F866-M871 HydrophobicContact CG-CB 4.44Å; F866-M871 PolarHBondContact O-N 3.41Å; V869-M871 HydrophobicContact CG1-CG 4.19Å; M871-E873 PolarHBondContact O-N 3.43Å; M871-Q874 HydrophobicContact CB-CB 4.38Å; M871-A875 VanDerWaalsContact O-CB 3.26Å; M871-A875 WeakPolarHBondContact O-CB 3.35Å; M871-A875 PolarHBondContact O-N 3.14Å
872	C	86.4	Confident	88.7	Confident	12 Å²	12	44.1 Å²	44.1	8%	0.081	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-35.4	-172.1	-168.3	0	0	0	0	113.7	G870 V876 L895 Q897	G870-C872 PolarHBondContact O-N 3.16Å; C872-V876 WeakPolarHBondContact O-CB 3.41Å; C872-V876 WeakPolarHBondContact O-CG2 3.38Å; C872-V876 PolarHBondContact O-N 3.4Å; C872-L895 HydrophobicContact CB-CB 4.46Å; C872-L895 HydrophobicContact CB-CD1 3.6Å; C872-Q897 HydrophobicContact CB-CG 4.26Å
873	E	88.6	Confident	88.4	Confident	120 Å²	120	50.4 Å²	50.4	56%	0.561	26%	0.259	S	S	*	.	H	α-helix	trans	-72.2	-48.3	-175.6	-51.8	-147.5	123.9	0	0	111.5	M871 A875 V876 T877 K900	M871-E873 PolarHBondContact O-N 3.43Å; E873-A875 VanDerWaalsContact C-N 3.35Å; E873-V876 PolarHBondContact O-N 3.15Å; E873-T877 WeakPolarHBondContact O-CG2 3.5Å; E873-T877 PolarHBondContact O-N 3.39Å; E873-T877 PolarHBondContact O-OG1 3.47Å; E873-K900 IonicContact OE1-NZ 2.91Å; E873-K900 PolarHBondContact OE1-NZ 2.94Å
874	Q	90.1	Very high	88.3	Confident	40 Å²	40	54.6 Å²	54.6	19%	0.187	28%	0.279	C	S	.	.	H	α-helix	trans	-64	-39	177.5	-64.3	79.1	-1.8	0	0	111.5	F866 M871 T877 A878	F866-Q874 HydrophobicContact CB-CB 4.5Å; F866-Q874 HydrophobicContact CD1-CB 3.99Å; F866-Q874 HydrophobicContact CD2-CB 3.89Å; F866-Q874 HydrophobicContact CE1-CB 4.11Å; F866-Q874 HydrophobicContact CE1-CG 4.5Å; F866-Q874 HydrophobicContact CE2-CB 4Å; F866-Q874 HydrophobicContact CG-CB 3.89Å; F866-Q874 HydrophobicContact CZ-CB 4.12Å; M871-Q874 HydrophobicContact CB-CB 4.38Å; Q874-T877 WeakPolarHBondContact CA-OG1 3.49Å; Q874-T877 PolarHBondContact O-OG1 2.95Å; Q874-A878 WeakPolarHBondContact O-CB 3.29Å; Q874-A878 PolarHBondContact O-N 3.36Å
875	A	89.9	Confident	88	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-44.4	173.6	0	0	0	0	0	111.7	F866 V867 M871 E873 A878 F879 T891	F866-A875 HydrophobicContact CB-CB 3.79Å; V867-A875 HydrophobicContact CG2-CB 3.84Å; M871-A875 VanDerWaalsContact O-CB 3.26Å; M871-A875 WeakPolarHBondContact O-CB 3.35Å; M871-A875 PolarHBondContact O-N 3.14Å; E873-A875 VanDerWaalsContact C-N 3.35Å; A875-A878 PolarHBondContact O-N 3.03Å; A875-F879 WeakPolarHBondContact O-CB 3.44Å; A875-F879 WeakPolarHBondContact O-CD2 3.43Å; A875-F879 PolarHBondContact O-N 3.08Å; A875-T891 HydrophobicContact CB-CG2 3.95Å
876	V	88.7	Confident	87.7	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.042	29%	0.287	C	S	.	.	H	α-helix	trans	-64.9	-43.7	178.4	166.9	0	0	0	0	111	C872 E873 A878 F879 L880 A888 L904	C872-V876 WeakPolarHBondContact O-CB 3.41Å; C872-V876 WeakPolarHBondContact O-CG2 3.38Å; C872-V876 PolarHBondContact O-N 3.4Å; E873-V876 PolarHBondContact O-N 3.15Å; V876-A878 VanDerWaalsContact C-N 3.35Å; V876-A878 PolarHBondContact O-N 3.4Å; V876-F879 PolarHBondContact O-N 3.3Å; V876-L880 HydrophobicContact CG1-CD1 3.69Å; V876-L880 HydrophobicContact CG1-CG 4.18Å; V876-L880 WeakPolarHBondContact O-CB 3.38Å; V876-L880 WeakPolarHBondContact O-CG 3.14Å; V876-L880 PolarHBondContact O-N 3.26Å; V876-A888 HydrophobicContact CG1-CB 4.21Å; V876-A888 HydrophobicContact CG2-CB 4.22Å; V876-L904 HydrophobicContact CG1-CD1 4.22Å
877	T	89.1	Confident	87.3	Confident	85 Å²	85	57.3 Å²	57.3	52%	0.521	30%	0.297	S	S	.	.	H	α-helix	trans	-62.7	-42.2	177.3	55.6	0	0	0	0	111.5	E873 Q874 L880 K881	E873-T877 WeakPolarHBondContact O-CG2 3.5Å; E873-T877 PolarHBondContact O-N 3.39Å; E873-T877 PolarHBondContact O-OG1 3.47Å; Q874-T877 WeakPolarHBondContact CA-OG1 3.49Å; Q874-T877 PolarHBondContact O-OG1 2.95Å; T877-L880 PolarHBondContact O-N 3.2Å; T877-K881 WeakPolarHBondContact O-CB 3.48Å; T877-K881 PolarHBondContact O-N 3.41Å
878	A	88.9	Confident	87.1	Confident	4 Å²	4	56.2 Å²	56.2	3%	0.033	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-44.2	176	0	0	0	0	0	112.5	A863 Q874 A875 V876 K881 C882	A863-A878 HydrophobicContact CB-CB 3.67Å; Q874-A878 WeakPolarHBondContact O-CB 3.29Å; Q874-A878 PolarHBondContact O-N 3.36Å; A875-A878 PolarHBondContact O-N 3.03Å; V876-A878 VanDerWaalsContact C-N 3.35Å; V876-A878 PolarHBondContact O-N 3.4Å; A878-K881 PolarHBondContact O-N 3.31Å; A878-C882 PolarHBondContact O-N 2.72Å; A878-C882 VanDerWaalsContact O-N 3.17Å; A878-C882 PolarHBondContact O-SG 3.3Å
879	F	89.9	Confident	86.9	Confident	11 Å²	11	47.4 Å²	47.4	5%	0.048	26%	0.257	C	S	.	.	H	α-helix	trans	-67.1	-35.9	176.3	-78.5	-54.5	0	0	0	113.3	A863 Q864 V867 A875 V876 C882 N883 Q884 A887 A888 T891	A863-F879 HydrophobicContact CB-CD1 3.8Å; A863-F879 HydrophobicContact CB-CD2 3.9Å; A863-F879 HydrophobicContact CB-CE1 3.6Å; A863-F879 HydrophobicContact CB-CE2 3.71Å; A863-F879 HydrophobicContact CB-CG 3.94Å; A863-F879 HydrophobicContact CB-CZ 3.54Å; Q864-F879 HydrophobicContact CG-CZ 4.35Å; V867-F879 HydrophobicContact CG2-CE2 3.73Å; V867-F879 HydrophobicContact CG2-CZ 4.34Å; A875-F879 WeakPolarHBondContact O-CB 3.44Å; A875-F879 WeakPolarHBondContact O-CD2 3.43Å; A875-F879 PolarHBondContact O-N 3.08Å; V876-F879 PolarHBondContact O-N 3.3Å; F879-C882 CarbonylContact O-C 3.5Å; F879-C882 WeakPolarHBondContact O-CB 3.35Å; F879-C882 PolarHBondContact O-N 3.26Å; F879-N883 PolarHBondContact O-N 3.28Å; F879-Q884 PolarHBondContact O-N 3.01Å; F879-A887 HydrophobicContact CD1-CB 3.86Å; F879-A887 HydrophobicContact CD2-CB 4.42Å; F879-A887 HydrophobicContact CE1-CB 4.02Å; F879-A887 HydrophobicContact CG-CB 4.09Å; F879-A887 HydrophobicContact CZ-CB 4.37Å; F879-A888 HydrophobicContact CB-CB 4.13Å; F879-T891 WeakPolarHBondContact CE2-OG1 3.4Å
880	L	87.3	Confident	86.6	Confident	73 Å²	73	49 Å²	49	38%	0.382	26%	0.264	S	S	.	.	H	α-helix	trans	-67.1	-38.4	174.1	-71.2	174.6	0	0	0	111.3	V876 T877 C882 N883 P885	V876-L880 HydrophobicContact CG1-CD1 3.69Å; V876-L880 HydrophobicContact CG1-CG 4.18Å; V876-L880 WeakPolarHBondContact O-CB 3.38Å; V876-L880 WeakPolarHBondContact O-CG 3.14Å; V876-L880 PolarHBondContact O-N 3.26Å; T877-L880 PolarHBondContact O-N 3.2Å; L880-C882 PolarHBondContact O-N 2.94Å; L880-N883 PolarHBondContact O-N 3.38Å; L880-P885 HydrophobicContact CD2-CB 4.42Å
881	K	87.1	Confident	86.7	Confident	59 Å²	59	47.6 Å²	47.6	26%	0.257	25%	0.247	S	C	.	.	H	α-helix	trans	-65.5	-17.7	172.9	-162.6	174.5	176.9	-176.5	0	113.2	A849 V850 L852 E854 N855 L859 T877 A878	A849-K881 PolarHBondContact O-NZ 3.21Å; V850-K881 PolarHBondContact O-NZ 2.96Å; L852-K881 VanDerWaalsContact O-CE 3.23Å; L852-K881 WeakPolarHBondContact O-CE 3.36Å; L852-K881 PolarHBondContact O-NZ 3.14Å; E854-K881 HydrophobicContact CG-CG 4.39Å; N855-K881 PolarHBondContact N-O 3.22Å; L859-K881 HydrophobicContact CD1-CB 4.47Å; L859-K881 HydrophobicContact CD1-CD 4.04Å; L859-K881 HydrophobicContact CD1-CG 4.03Å; L859-K881 HydrophobicContact CD2-CD 4.42Å; T877-K881 WeakPolarHBondContact O-CB 3.48Å; T877-K881 PolarHBondContact O-N 3.41Å; A878-K881 PolarHBondContact O-N 3.31Å
882	C	85.9	Confident	86.5	Confident	13 Å²	13	44.8 Å²	44.8	9%	0.088	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	4.2	171.3	-59.4	0	0	0	0	114	N855 L859 A878 F879 L880 Q884	N855-C882 VanDerWaalsContact OD1-C 3.31Å; N855-C882 WeakPolarHBondContact OD1-CA 3.29Å; N855-C882 PolarHBondContact OD1-O 3.46Å; L859-C882 WeakPolarHBondContact CB-SG 3.42Å; A878-C882 PolarHBondContact O-N 2.72Å; A878-C882 VanDerWaalsContact O-N 3.17Å; A878-C882 PolarHBondContact O-SG 3.3Å; F879-C882 CarbonylContact O-C 3.5Å; F879-C882 WeakPolarHBondContact O-CB 3.35Å; F879-C882 PolarHBondContact O-N 3.26Å; L880-C882 PolarHBondContact O-N 2.94Å; C882-Q884 VanDerWaalsContact C-N 3.31Å; C882-Q884 HydrophobicContact CB-CG 4.35Å; C882-Q884 PolarHBondContact O-N 3.4Å
883	N	84.5	Confident	86.2	Confident	133 Å²	133	44.7 Å²	44.7	71%	0.711	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	37	-174.4	-159.7	26	0	0	0	114	F879 L880 P885	F879-N883 PolarHBondContact O-N 3.28Å; L880-N883 PolarHBondContact O-N 3.38Å; N883-P885 VanDerWaalsContact C-CD 3.43Å; N883-P885 VanDerWaalsContact O-CD 3.26Å; N883-P885 WeakPolarHBondContact O-CD 3.49Å
884	Q	86.5	Confident	85.8	Confident	89 Å²	89	45.4 Å²	45.4	42%	0.416	24%	0.235	S	C	.	.			trans	-116	71.6	179	-66.5	-172.8	-5.6	0	0	112.7	F879 C882 K886 A887 A888	F879-Q884 PolarHBondContact O-N 3.01Å; C882-Q884 VanDerWaalsContact C-N 3.31Å; C882-Q884 HydrophobicContact CB-CG 4.35Å; C882-Q884 PolarHBondContact O-N 3.4Å; Q884-K886 VanDerWaalsContact C-N 3.29Å; Q884-K886 PolarHBondContact O-N 2.94Å; Q884-A887 HydrophobicContact CB-CB 4.15Å; Q884-A887 PolarHBondContact O-N 2.6Å; Q884-A888 PolarHBondContact O-N 2.78Å
885	P	83.4	Confident	85.5	Confident	41 Å²	41	45.3 Å²	45.3	27%	0.266	24%	0.236	S	C	.	.	H	α-helix	trans	-67.8	-26.1	-177	27.2	-34.9	0	0	0	113.6	L880 N883 A888 V889	L880-P885 HydrophobicContact CD2-CB 4.42Å; N883-P885 VanDerWaalsContact C-CD 3.43Å; N883-P885 VanDerWaalsContact O-CD 3.26Å; N883-P885 WeakPolarHBondContact O-CD 3.49Å; P885-A888 PolarHBondContact O-N 2.88Å; P885-V889 PolarHBondContact O-N 2.68Å; P885-V889 VanDerWaalsContact O-N 3.07Å
886	K	84.1	Confident	84.9	Confident	129 Å²	129	50 Å²	50	56%	0.561	26%	0.261	S	S	*	.	H	α-helix	trans	-65	-47.3	175	-173.2	176.1	179.6	174.4	0	111.4	Q884 A888 V889 D890	Q884-K886 VanDerWaalsContact C-N 3.29Å; Q884-K886 PolarHBondContact O-N 2.94Å; K886-A888 VanDerWaalsContact C-N 3.27Å; K886-A888 PolarHBondContact O-N 2.87Å; K886-V889 PolarHBondContact O-N 3.42Å; K886-D890 WeakPolarHBondContact O-CB 3.18Å; K886-D890 VanDerWaalsContact O-CG 3.31Å; K886-D890 PolarHBondContact O-N 3.45Å
887	A	84.2	Confident	84.6	Confident	25 Å²	25	54.4 Å²	54.4	21%	0.207	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-34.6	176.8	0	0	0	0	0	112.1	F879 Q884 T891	F879-A887 HydrophobicContact CD1-CB 3.86Å; F879-A887 HydrophobicContact CD2-CB 4.42Å; F879-A887 HydrophobicContact CE1-CB 4.02Å; F879-A887 HydrophobicContact CG-CB 4.09Å; F879-A887 HydrophobicContact CZ-CB 4.37Å; Q884-A887 HydrophobicContact CB-CB 4.15Å; Q884-A887 PolarHBondContact O-N 2.6Å; A887-T891 WeakPolarHBondContact O-CB 3.47Å; A887-T891 PolarHBondContact O-N 3.04Å; A887-T891 PolarHBondContact O-OG1 3.14Å
888	A	85.6	Confident	83.9	Confident	1 Å²	1	51.6 Å²	51.6	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-64.7	-43.8	174	0	0	0	0	0	112.6	V876 F879 Q884 P885 K886 T891 C892	V876-A888 HydrophobicContact CG1-CB 4.21Å; V876-A888 HydrophobicContact CG2-CB 4.22Å; F879-A888 HydrophobicContact CB-CB 4.13Å; Q884-A888 PolarHBondContact O-N 2.78Å; P885-A888 PolarHBondContact O-N 2.88Å; K886-A888 VanDerWaalsContact C-N 3.27Å; K886-A888 PolarHBondContact O-N 2.87Å; A888-T891 WeakPolarHBondContact O-CB 3.32Å; A888-T891 PolarHBondContact O-N 2.89Å; A888-C892 PolarHBondContact O-N 3.16Å; A888-C892 VanDerWaalsContact O-N 3.09Å; A888-C892 PolarHBondContact O-SG 3.14Å; A888-C892 VanDerWaalsContact O-SG 3.41Å
889	V	83.1	Confident	83.4	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.018	29%	0.289	C	S	.	.	H	α-helix	trans	-67	-43.7	175.2	171.3	0	0	0	0	111.4	P885 K886 T891 C892 V893 L904 M910 L916	P885-V889 PolarHBondContact O-N 2.68Å; P885-V889 VanDerWaalsContact O-N 3.07Å; K886-V889 PolarHBondContact O-N 3.42Å; V889-T891 PolarHBondContact O-N 3.15Å; V889-C892 WeakPolarHBondContact O-CB 3.41Å; V889-C892 PolarHBondContact O-N 2.81Å; V889-C892 VanDerWaalsContact O-N 3.13Å; V889-V893 HydrophobicContact CG1-CG2 4.46Å; V889-V893 WeakPolarHBondContact O-CG2 3.35Å; V889-V893 PolarHBondContact O-N 2.9Å; V889-L904 HydrophobicContact CG2-CB 3.65Å; V889-M910 HydrophobicContact CB-CE 4.01Å; V889-M910 HydrophobicContact CG2-CE 3.36Å; V889-M910 HydrophobicContact CG2-SD 4.28Å; V889-L916 HydrophobicContact CG1-CD1 4.19Å
890	D	82.8	Confident	82.8	Confident	88 Å²	88	58.9 Å²	58.9	47%	0.471	30%	0.298	S	S	.	.	H	α-helix	trans	-60	-36.6	176.2	-70.4	-25.4	0	0	0	111.3	K886 V893 H894	K886-D890 WeakPolarHBondContact O-CB 3.18Å; K886-D890 VanDerWaalsContact O-CG 3.31Å; K886-D890 PolarHBondContact O-N 3.45Å; D890-V893 PolarHBondContact O-N 3.27Å; D890-H894 VanDerWaalsContact O-CB 3.28Å; D890-H894 WeakPolarHBondContact O-CB 3.5Å; D890-H894 PolarHBondContact O-N 3.39Å
891	T	85.9	Confident	82.4	Confident	8 Å²	8	55.4 Å²	55.4	5%	0.049	28%	0.279	C	S	.	.	H	α-helix	trans	-62.6	-47.8	173.4	-61.4	0	0	0	0	111.6	V867 A875 F879 A887 A888 V889 V893 H894 L895	V867-T891 HydrophobicContact CG1-CG2 4.47Å; V867-T891 HydrophobicContact CG2-CG2 3.61Å; A875-T891 HydrophobicContact CB-CG2 3.95Å; F879-T891 WeakPolarHBondContact CE2-OG1 3.4Å; A887-T891 WeakPolarHBondContact O-CB 3.47Å; A887-T891 PolarHBondContact O-N 3.04Å; A887-T891 PolarHBondContact O-OG1 3.14Å; A888-T891 WeakPolarHBondContact O-CB 3.32Å; A888-T891 PolarHBondContact O-N 2.89Å; V889-T891 PolarHBondContact O-N 3.15Å; T891-V893 VanDerWaalsContact C-N 3.29Å; T891-V893 PolarHBondContact O-N 2.9Å; T891-H894 PolarHBondContact O-N 2.96Å; T891-L895 HydrophobicContact CG2-CD1 3.84Å; T891-L895 HydrophobicContact CG2-CG 4.41Å; T891-L895 WeakPolarHBondContact O-CB 3.45Å; T891-L895 WeakPolarHBondContact O-CG 3.4Å; T891-L895 PolarHBondContact O-N 3.07Å
892	C	83.9	Confident	81.7	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.3	-38.7	176.5	-68.1	0	0	0	0	111.8	A888 V889 N896 Q897 A901	A888-C892 PolarHBondContact O-N 3.16Å; A888-C892 VanDerWaalsContact O-N 3.09Å; A888-C892 PolarHBondContact O-SG 3.14Å; A888-C892 VanDerWaalsContact O-SG 3.41Å; V889-C892 WeakPolarHBondContact O-CB 3.41Å; V889-C892 PolarHBondContact O-N 2.81Å; V889-C892 VanDerWaalsContact O-N 3.13Å; C892-N896 PolarHBondContact O-N 3.01Å; C892-Q897 HydrophobicContact CB-CB 4.29Å; C892-Q897 WeakPolarHBondContact O-CA 3.32Å; C892-Q897 PolarHBondContact O-N 3.45Å; C892-A901 HydrophobicContact CB-CB 3.67Å
893	V	81.3	Confident	81.4	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.055	30%	0.301	C	S	.	.	H	α-helix	trans	-65.9	-45.2	174.8	173.1	0	0	0	0	110.8	V889 D890 T891 L895 N896 W898 A901 L916	V889-V893 HydrophobicContact CG1-CG2 4.46Å; V889-V893 WeakPolarHBondContact O-CG2 3.35Å; V889-V893 PolarHBondContact O-N 2.9Å; D890-V893 PolarHBondContact O-N 3.27Å; T891-V893 VanDerWaalsContact C-N 3.29Å; T891-V893 PolarHBondContact O-N 2.9Å; V893-L895 VanDerWaalsContact C-N 3.33Å; V893-L895 PolarHBondContact O-N 3.37Å; V893-N896 PolarHBondContact O-N 2.84Å; V893-W898 HydrophobicContact CG1-CH2 3.9Å; V893-W898 HydrophobicContact CG1-CZ3 4Å; V893-W898 HydrophobicContact CG2-CZ3 4.41Å; V893-A901 HydrophobicContact CG2-CB 3.99Å; V893-L916 HydrophobicContact CG2-CD1 4.05Å; V893-L916 HydrophobicContact CG2-CD2 4.15Å; V893-L916 HydrophobicContact CG2-CG 4.24Å
894	H	80.1	Confident	81.2	Confident	135 Å²	135	54.3 Å²	54.3	63%	0.625	27%	0.273	S	S	*	.	H	α-helix	trans	-62.6	-39.6	179.6	-169.9	64.7	0	0	0	112.2	D890 T891 N896	D890-H894 VanDerWaalsContact O-CB 3.28Å; D890-H894 WeakPolarHBondContact O-CB 3.5Å; D890-H894 PolarHBondContact O-N 3.39Å; T891-H894 PolarHBondContact O-N 2.96Å; H894-N896 VanDerWaalsContact C-N 3.28Å; H894-N896 PolarHBondContact O-N 3.03Å
895	L	82.6	Confident	80.7	Confident	38 Å²	38	50.4 Å²	50.4	20%	0.199	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	13.4	178.8	-60.6	179.2	0	0	0	113.4	C872 T891 V893 Q897	C872-L895 HydrophobicContact CB-CB 4.46Å; C872-L895 HydrophobicContact CB-CD1 3.6Å; T891-L895 HydrophobicContact CG2-CD1 3.84Å; T891-L895 HydrophobicContact CG2-CG 4.41Å; T891-L895 WeakPolarHBondContact O-CB 3.45Å; T891-L895 WeakPolarHBondContact O-CG 3.4Å; T891-L895 PolarHBondContact O-N 3.07Å; V893-L895 VanDerWaalsContact C-N 3.33Å; V893-L895 PolarHBondContact O-N 3.37Å; L895-Q897 PolarHBondContact O-N 3.35Å
896	N	78.9	Confident	80.3	Confident	98 Å²	98	54.1 Å²	54.1	52%	0.524	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	24.2	176.8	-62.7	-53.8	0	0	0	115.3	C892 V893 H894 W898	C892-N896 PolarHBondContact O-N 3.01Å; V893-N896 PolarHBondContact O-N 2.84Å; H894-N896 VanDerWaalsContact C-N 3.28Å; H894-N896 PolarHBondContact O-N 3.03Å; N896-W898 VanDerWaalsContact C-N 3.29Å; N896-W898 PolarHBondContact O-N 3.28Å; N896-W898 VanDerWaalsContact O-N 3.15Å
897	Q	80.5	Confident	80	Confident	100 Å²	100	54 Å²	54	47%	0.467	28%	0.275	S	S	.	.			trans	-88	63.7	174.6	-65.3	-64.2	-18.2	0	0	110.8	C872 C892 L895 N899 K900 A901	C872-Q897 HydrophobicContact CB-CG 4.26Å; C892-Q897 HydrophobicContact CB-CB 4.29Å; C892-Q897 WeakPolarHBondContact O-CA 3.32Å; C892-Q897 PolarHBondContact O-N 3.45Å; L895-Q897 PolarHBondContact O-N 3.35Å; Q897-N899 PolarHBondContact O-N 3.24Å; Q897-K900 HydrophobicContact CB-CB 4.41Å; Q897-K900 PolarHBondContact O-N 2.94Å; Q897-A901 PolarHBondContact O-N 3.39Å
898	W	75.1	Confident	79.6	Confident	26 Å²	26	57.5 Å²	57.5	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-38.4	-170.8	-61.9	96.9	0	0	0	114.2	V893 N896 A901 V902 L916 R919 Y920	V893-W898 HydrophobicContact CG1-CH2 3.9Å; V893-W898 HydrophobicContact CG1-CZ3 4Å; V893-W898 HydrophobicContact CG2-CZ3 4.41Å; N896-W898 VanDerWaalsContact C-N 3.29Å; N896-W898 PolarHBondContact O-N 3.28Å; N896-W898 VanDerWaalsContact O-N 3.15Å; W898-A901 WeakPolarHBondContact O-CB 3.19Å; W898-A901 PolarHBondContact O-N 3.13Å; W898-V902 WeakPolarHBondContact O-CG2 3.41Å; W898-V902 PolarHBondContact O-N 3.16Å; W898-L916 HydrophobicContact CE3-CD2 4.33Å; W898-L916 HydrophobicContact CZ3-CD2 4.31Å; W898-R919 HydrophobicContact CH2-CB 4.31Å; W898-R919 HydrophobicContact CZ3-CB 4.48Å; W898-Y920 HydrophobicContact CB-CD2 3.86Å; W898-Y920 HydrophobicContact CB-CE2 3.75Å; W898-Y920 AromaticContact CD2-CD2 3.71Å; W898-Y920 HydrophobicContact CD2-CD2 3.71Å; W898-Y920 HydrophobicContact CD2-CE2 4.37Å; W898-Y920 HydrophobicContact CD2-CG 4.47Å; W898-Y920 HydrophobicContact CE3-CD2 4.04Å; W898-Y920 HydrophobicContact CE3-CG 4.37Å; W898-Y920 AromaticContact CG-CD2 3.61Å; W898-Y920 HydrophobicContact CG-CD2 3.61Å; W898-Y920 AromaticContact CG-CE2 3.78Å; W898-Y920 HydrophobicContact CG-CE2 3.78Å
899	N	77.9	Confident	78.6	Confident	114 Å²	114	62.4 Å²	62.4	61%	0.61	32%	0.321	S	S	*	.	H	α-helix	trans	-64.2	-47.5	179.2	-65.3	-19.4	0	0	0	111.3	Q897 A901 V902 E903	Q897-N899 PolarHBondContact O-N 3.24Å; N899-A901 VanDerWaalsContact C-N 3.32Å; N899-A901 PolarHBondContact O-N 2.87Å; N899-V902 PolarHBondContact O-N 3.01Å; N899-E903 WeakPolarHBondContact O-CG 3.18Å; N899-E903 PolarHBondContact O-N 3.48Å
900	K	78.3	Confident	77.9	Confident	55 Å²	55	64.7 Å²	64.7	24%	0.239	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-35.9	177.4	-157.6	171.1	-171.6	173.1	0	111.4	E873 Q897 E903 L904	E873-K900 IonicContact OE1-NZ 2.91Å; E873-K900 PolarHBondContact OE1-NZ 2.94Å; Q897-K900 HydrophobicContact CB-CB 4.41Å; Q897-K900 PolarHBondContact O-N 2.94Å; K900-E903 PolarHBondContact O-N 2.98Å; K900-L904 HydrophobicContact CG-CD1 4.23Å; K900-L904 VanDerWaalsContact O-CB 3.3Å; K900-L904 WeakPolarHBondContact O-CB 3.28Å; K900-L904 WeakPolarHBondContact O-CD1 3.47Å; K900-L904 VanDerWaalsContact O-CG 3.23Å; K900-L904 WeakPolarHBondContact O-CG 3.17Å; K900-L904 PolarHBondContact O-N 2.83Å
901	A	78.1	Confident	76.8	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-61.8	-42.7	173.5	0	0	0	0	0	112.1	C892 V893 Q897 W898 N899 A905	C892-A901 HydrophobicContact CB-CB 3.67Å; V893-A901 HydrophobicContact CG2-CB 3.99Å; Q897-A901 PolarHBondContact O-N 3.39Å; W898-A901 WeakPolarHBondContact O-CB 3.19Å; W898-A901 PolarHBondContact O-N 3.13Å; N899-A901 VanDerWaalsContact C-N 3.32Å; N899-A901 PolarHBondContact O-N 2.87Å; A901-A905 WeakPolarHBondContact O-CB 3.04Å; A901-A905 PolarHBondContact O-N 2.74Å
902	V	74.1	Confident	75.7	Confident	45 Å²	45	76.9 Å²	76.9	27%	0.273	38%	0.383	S	S	.	.	H	α-helix	trans	-69.9	-42.9	178	173.4	0	0	0	0	111.2	W898 N899 A905 Q906	W898-V902 WeakPolarHBondContact O-CG2 3.41Å; W898-V902 PolarHBondContact O-N 3.16Å; N899-V902 PolarHBondContact O-N 3.01Å; V902-A905 PolarHBondContact O-N 3.01Å; V902-Q906 HydrophobicContact CG1-CG 4.36Å; V902-Q906 WeakPolarHBondContact O-CB 3.27Å; V902-Q906 VanDerWaalsContact O-CG 3.28Å; V902-Q906 WeakPolarHBondContact O-CG 3.48Å; V902-Q906 PolarHBondContact O-N 2.75Å
903	E	79.4	Confident	74.6	Confident	114 Å²	114	80.3 Å²	80.3	53%	0.533	40%	0.4	S	S	.	.	H	α-helix	trans	-59.6	-47.8	175.1	-74.2	173.3	-171.9	0	0	111.8	N899 K900 A905 Q906 N907	N899-E903 WeakPolarHBondContact O-CG 3.18Å; N899-E903 PolarHBondContact O-N 3.48Å; K900-E903 PolarHBondContact O-N 2.98Å; E903-A905 PolarHBondContact O-N 3.22Å; E903-Q906 PolarHBondContact O-N 2.86Å; E903-N907 WeakPolarHBondContact O-CB 3.37Å; E903-N907 PolarHBondContact O-N 3.37Å; E903-N907 PolarHBondContact O-ND2 3.4Å
904	L	79	Confident	73.6	Confident	23 Å²	23	81.7 Å²	81.7	12%	0.12	42%	0.416	C	S	.	.	H	α-helix	trans	-64	-40.7	176.9	-73.2	168	0	0	0	111.7	V876 V889 K900 H908	V876-L904 HydrophobicContact CG1-CD1 4.22Å; V889-L904 HydrophobicContact CG2-CB 3.65Å; K900-L904 HydrophobicContact CG-CD1 4.23Å; K900-L904 VanDerWaalsContact O-CB 3.3Å; K900-L904 WeakPolarHBondContact O-CB 3.28Å; K900-L904 WeakPolarHBondContact O-CD1 3.47Å; K900-L904 VanDerWaalsContact O-CG 3.23Å; K900-L904 WeakPolarHBondContact O-CG 3.17Å; K900-L904 PolarHBondContact O-N 2.83Å; L904-H908 WeakPolarHBondContact O-CB 3.37Å; L904-H908 PolarHBondContact O-CD2 2.86Å; L904-H908 VanDerWaalsContact O-CD2 3.28Å; L904-H908 PolarHBondContact O-N 2.6Å; L904-H908 VanDerWaalsContact O-N 3.08Å
905	A	76.6	Confident	72.9	Confident	6 Å²	6	78.7 Å²	78.7	5%	0.05	41%	0.41	C	S	.	.	H	α-helix	trans	-67	-34.9	177.7	0	0	0	0	0	112.8	A901 V902 E903 S909 M910	A901-A905 WeakPolarHBondContact O-CB 3.04Å; A901-A905 PolarHBondContact O-N 2.74Å; V902-A905 PolarHBondContact O-N 3.01Å; E903-A905 PolarHBondContact O-N 3.22Å; A905-S909 PolarHBondContact O-N 2.93Å; A905-S909 VanDerWaalsContact O-N 3.1Å; A905-M910 HydrophobicContact CB-SD 4.47Å; A905-M910 PolarHBondContact O-N 3.45Å; A905-M910 VanDerWaalsContact O-N 3.07Å
906	Q	74.6	Confident	72.3	Confident	120 Å²	120	78.4 Å²	78.4	56%	0.561	41%	0.409	S	S	*	.	H	α-helix	trans	-71.6	-48.2	174.9	-75.4	177.7	-1.2	0	0	111.6	V902 E903 H908 S909	V902-Q906 HydrophobicContact CG1-CG 4.36Å; V902-Q906 WeakPolarHBondContact O-CB 3.27Å; V902-Q906 VanDerWaalsContact O-CG 3.28Å; V902-Q906 WeakPolarHBondContact O-CG 3.48Å; V902-Q906 PolarHBondContact O-N 2.75Å; E903-Q906 PolarHBondContact O-N 2.86Å; Q906-H908 PolarHBondContact O-N 3.33Å; Q906-S909 PolarHBondContact O-N 2.88Å
907	N	78.6	Confident	71.6	Confident	127 Å²	127	76 Å²	76	68%	0.679	40%	0.396	S	S	*	.	H	α-helix	trans	-59.8	-32.5	179.2	-72	-16.1	0	0	0	112.1	E903	E903-N907 WeakPolarHBondContact O-CB 3.37Å; E903-N907 PolarHBondContact O-N 3.37Å; E903-N907 PolarHBondContact O-ND2 3.4Å
908	H	75.6	Confident	71	Confident	98 Å²	98	73.6 Å²	73.6	45%	0.454	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	10.3	177.5	-67	-72.8	0	0	0	114.5	L904 Q906 M910	L904-H908 WeakPolarHBondContact O-CB 3.37Å; L904-H908 PolarHBondContact O-CD2 2.86Å; L904-H908 VanDerWaalsContact O-CD2 3.28Å; L904-H908 PolarHBondContact O-N 2.6Å; L904-H908 VanDerWaalsContact O-N 3.08Å; Q906-H908 PolarHBondContact O-N 3.33Å; H908-M910 HydrophobicContact CB-CE 4.28Å; H908-M910 PolarHBondContact O-N 2.79Å
909	S	64.6	Low	70.7	Confident	104 Å²	104	79.8 Å²	79.8	73%	0.727	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	49.5	173.5	-59.4	0	0	0	0	114.9	A905 Q906	A905-S909 PolarHBondContact O-N 2.93Å; A905-S909 VanDerWaalsContact O-N 3.1Å; Q906-S909 PolarHBondContact O-N 2.88Å
910	M	68.2	Low	70.4	Confident	51 Å²	51	77 Å²	77	25%	0.251	40%	0.398	S	S	.	.			trans	-73.7	140.2	-178	-61.3	-164.8	-164.2	0	0	112.8	V889 A905 H908 E912 I913	V889-M910 HydrophobicContact CB-CE 4.01Å; V889-M910 HydrophobicContact CG2-CE 3.36Å; V889-M910 HydrophobicContact CG2-SD 4.28Å; A905-M910 HydrophobicContact CB-SD 4.47Å; A905-M910 PolarHBondContact O-N 3.45Å; A905-M910 VanDerWaalsContact O-N 3.07Å; H908-M910 HydrophobicContact CB-CE 4.28Å; H908-M910 PolarHBondContact O-N 2.79Å; M910-E912 PolarHBondContact O-N 3.17Å; M910-I913 WeakPolarHBondContact O-CD1 3.29Å; M910-I913 WeakPolarHBondContact O-CG1 3.49Å
911	K	60.7	Low	69.9	Low	217 Å²	217	74.4 Å²	74.4	94%	0.943	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-15.4	-177.4	-67.4	-177.8	179.6	178.8	0	114.8
912	E	60.8	Low	69.6	Low	135 Å²	135	77.2 Å²	77.2	63%	0.631	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	29.7	-171.6	-66	178.5	-178	0	0	114.1	M910 G914 S915	M910-E912 PolarHBondContact O-N 3.17Å; E912-G914 VanDerWaalsContact C-N 3.27Å; E912-G914 PolarHBondContact O-N 2.79Å; E912-S915 PolarHBondContact O-OG 2.64Å; E912-S915 VanDerWaalsContact O-OG 3.05Å
913	I	62.3	Low	69.7	Low	71 Å²	71	76.8 Å²	76.8	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-63.4	-33.5	-177.2	-65.2	163.5	0	0	0	111.9	M910 S915 L916 L917	M910-I913 WeakPolarHBondContact O-CD1 3.29Å; M910-I913 WeakPolarHBondContact O-CG1 3.49Å; I913-S915 PolarHBondContact O-N 3Å; I913-L916 PolarHBondContact O-N 3.4Å; I913-L917 HydrophobicContact CG2-CD1 3.7Å; I913-L917 HydrophobicContact CG2-CG 4.04Å; I913-L917 WeakPolarHBondContact O-CG 3.15Å; I913-L917 PolarHBondContact O-N 2.9Å
914	G	60.7	Low	69.4	Low	38 Å²	38	72 Å²	72	39%	0.392	38%	0.379	S	S	.	.	H	α-helix	trans	-64	-40.4	-176.6	0	0	0	0	0	114.5	E912 A918	E912-G914 VanDerWaalsContact C-N 3.27Å; E912-G914 PolarHBondContact O-N 2.79Å; G914-A918 PolarHBondContact O-N 3.29Å; G914-A918 VanDerWaalsContact O-N 3.09Å
915	S	65.4	Low	69.3	Low	72 Å²	72	73.2 Å²	73.2	50%	0.503	39%	0.386	S	S	.	.	H	α-helix	trans	-71.4	-33.4	177.8	57.3	0	0	0	0	112	E912 I913 A918 R919	E912-S915 PolarHBondContact O-OG 2.64Å; E912-S915 VanDerWaalsContact O-OG 3.05Å; I913-S915 PolarHBondContact O-N 3Å; S915-A918 PolarHBondContact O-N 3.21Å; S915-R919 PolarHBondContact O-N 3.18Å; S915-R919 VanDerWaalsContact O-N 3.14Å
916	L	68.1	Low	69.2	Low	32 Å²	32	80.3 Å²	80.3	17%	0.168	42%	0.417	C	S	.	.	H	α-helix	trans	-70.9	-39	177.8	-145.1	143.5	0	0	0	111.3	V889 V893 W898 I913 R919 Y920	V889-L916 HydrophobicContact CG1-CD1 4.19Å; V893-L916 HydrophobicContact CG2-CD1 4.05Å; V893-L916 HydrophobicContact CG2-CD2 4.15Å; V893-L916 HydrophobicContact CG2-CG 4.24Å; W898-L916 HydrophobicContact CE3-CD2 4.33Å; W898-L916 HydrophobicContact CZ3-CD2 4.31Å; I913-L916 PolarHBondContact O-N 3.4Å; L916-R919 PolarHBondContact O-N 2.63Å; L916-Y920 PolarHBondContact O-N 2.88Å
917	L	65.7	Low	69.3	Low	49 Å²	49	80.8 Å²	80.8	26%	0.257	42%	0.418	S	S	.	.	H	α-helix	trans	-65	-39.1	172	-73.9	171.6	0	0	0	112.6	I913 Y920 A921 L936	I913-L917 HydrophobicContact CG2-CD1 3.7Å; I913-L917 HydrophobicContact CG2-CG 4.04Å; I913-L917 WeakPolarHBondContact O-CG 3.15Å; I913-L917 PolarHBondContact O-N 2.9Å; L917-Y920 PolarHBondContact O-N 2.9Å; L917-A921 WeakPolarHBondContact O-CB 3.44Å; L917-A921 PolarHBondContact O-N 2.98Å; L917-L936 HydrophobicContact CD2-CD1 4.22Å
918	A	66.9	Low	69	Low	48 Å²	48	81.3 Å²	81.3	40%	0.397	42%	0.421	S	S	.	.	H	α-helix	trans	-63.1	-43.9	175.9	0	0	0	0	0	111.8	G914 S915 Y920 A921 S922	G914-A918 PolarHBondContact O-N 3.29Å; G914-A918 VanDerWaalsContact O-N 3.09Å; S915-A918 PolarHBondContact O-N 3.21Å; A918-Y920 PolarHBondContact O-N 2.85Å; A918-A921 PolarHBondContact O-N 2.88Å; A918-S922 PolarHBondContact O-N 2.83Å; A918-S922 PolarHBondContact O-OG 2.84Å
919	R	69.4	Low	69.2	Low	157 Å²	157	82.1 Å²	82.1	59%	0.592	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-39.8	174.6	-73.7	178.9	66.6	-174.7	-0.7	112.3	W898 S915 L916 S922 H923	W898-R919 HydrophobicContact CH2-CB 4.31Å; W898-R919 HydrophobicContact CZ3-CB 4.48Å; S915-R919 PolarHBondContact O-N 3.18Å; S915-R919 VanDerWaalsContact O-N 3.14Å; L916-R919 PolarHBondContact O-N 2.63Å; R919-S922 PolarHBondContact O-N 3.44Å; R919-H923 PolarHBondContact O-N 3.29Å; R919-H923 VanDerWaalsContact O-N 3.11Å
920	Y	72.3	Confident	69.9	Low	55 Å²	55	79.3 Å²	79.3	22%	0.216	40%	0.401	C	S	.	.	H	α-helix	trans	-64.9	-41.9	176.4	-176.7	-131.4	0	0	0	112	W898 L916 L917 A918 H923 L924 L936	W898-Y920 HydrophobicContact CB-CD2 3.86Å; W898-Y920 HydrophobicContact CB-CE2 3.75Å; W898-Y920 AromaticContact CD2-CD2 3.71Å; W898-Y920 HydrophobicContact CD2-CD2 3.71Å; W898-Y920 HydrophobicContact CD2-CE2 4.37Å; W898-Y920 HydrophobicContact CD2-CG 4.47Å; W898-Y920 HydrophobicContact CE3-CD2 4.04Å; W898-Y920 HydrophobicContact CE3-CG 4.37Å; W898-Y920 AromaticContact CG-CD2 3.61Å; W898-Y920 HydrophobicContact CG-CD2 3.61Å; W898-Y920 AromaticContact CG-CE2 3.78Å; W898-Y920 HydrophobicContact CG-CE2 3.78Å; L916-Y920 PolarHBondContact O-N 2.88Å; L917-Y920 PolarHBondContact O-N 2.9Å; A918-Y920 PolarHBondContact O-N 2.85Å; Y920-H923 PolarHBondContact O-N 3.32Å; Y920-L924 HydrophobicContact CD1-CD1 4.27Å; Y920-L924 HydrophobicContact CE1-CD1 3.93Å; Y920-L924 HydrophobicContact CE2-CD1 4.42Å; Y920-L924 HydrophobicContact CE2-CD2 4.41Å; Y920-L924 HydrophobicContact CE2-CG 4.28Å; Y920-L924 WeakPolarHBondContact O-CG 3.4Å; Y920-L924 PolarHBondContact O-N 3.04Å; Y920-L936 HydrophobicContact CD1-CD1 4.4Å; Y920-L936 HydrophobicContact CD1-CD2 3.59Å; Y920-L936 HydrophobicContact CE1-CD1 4.5Å; Y920-L936 HydrophobicContact CE1-CD2 4.12Å; Y920-L936 HydrophobicContact CG-CD2 4.45Å
921	A	66.6	Low	70.5	Confident	0 Å²	0	82.6 Å²	82.6	0%	0	42%	0.419	C	S	.	.	H	α-helix	trans	-63.1	-43	175.8	0	0	0	0	0	112.2	L917 A918 H923 L924 L925 L936 Y937	L917-A921 WeakPolarHBondContact O-CB 3.44Å; L917-A921 PolarHBondContact O-N 2.98Å; A918-A921 PolarHBondContact O-N 2.88Å; A921-H923 PolarHBondContact O-N 3.15Å; A921-L924 PolarHBondContact O-N 2.88Å; A921-L925 WeakPolarHBondContact O-CG 3.26Å; A921-L925 PolarHBondContact O-N 3.15Å; A921-L936 HydrophobicContact CB-CD2 3.9Å; A921-Y937 HydrophobicContact CB-CE1 3.72Å; A921-Y937 HydrophobicContact CB-CE2 3.97Å; A921-Y937 VanDerWaalsContact CB-OH 3.25Å; A921-Y937 WeakPolarHBondContact CB-OH 3.12Å
922	S	72.9	Confident	71.3	Confident	60 Å²	60	76 Å²	76	42%	0.42	39%	0.394	S	S	.	.	H	α-helix	trans	-59.2	-43.7	174.2	-62.4	0	0	0	0	112.5	A918 R919 L924 L925 E926	A918-S922 PolarHBondContact O-N 2.83Å; A918-S922 PolarHBondContact O-OG 2.84Å; R919-S922 PolarHBondContact O-N 3.44Å; S922-L924 VanDerWaalsContact C-N 3.34Å; S922-L924 PolarHBondContact O-N 2.98Å; S922-L925 WeakPolarHBondContact O-CB 3.14Å; S922-L925 PolarHBondContact O-N 3.18Å; S922-L925 VanDerWaalsContact O-N 3.17Å; S922-E926 PolarHBondContact O-N 3.28Å
923	H	74.8	Confident	72.1	Confident	35 Å²	35	69.5 Å²	69.5	16%	0.162	36%	0.364	C	S	.	.	H	α-helix	trans	-65	-35.8	176.4	167.4	-91.8	0	0	0	112.6	R919 Y920 A921 L925 E926 K927	R919-H923 PolarHBondContact O-N 3.29Å; R919-H923 VanDerWaalsContact O-N 3.11Å; Y920-H923 PolarHBondContact O-N 3.32Å; A921-H923 PolarHBondContact O-N 3.15Å; H923-L925 VanDerWaalsContact C-N 3.32Å; H923-E926 PolarHBondContact O-N 3.33Å; H923-K927 PolarHBondContact CE1-NZ 3.26Å; H923-K927 VanDerWaalsContact CE1-NZ 3.27Å; H923-K927 WeakPolarHBondContact NE2-CE 3.25Å; H923-K927 PolarHBondContact NE2-NZ 3.5Å; H923-K927 PolarHBondContact O-N 2.9Å
924	L	72.9	Confident	73	Confident	15 Å²	15	66.7 Å²	66.7	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-65.4	-36.8	173.1	-71.4	173.2	0	0	0	112	Y920 A921 S922 K927 K929 A933 L936	Y920-L924 HydrophobicContact CD1-CD1 4.27Å; Y920-L924 HydrophobicContact CE1-CD1 3.93Å; Y920-L924 HydrophobicContact CE2-CD1 4.42Å; Y920-L924 HydrophobicContact CE2-CD2 4.41Å; Y920-L924 HydrophobicContact CE2-CG 4.28Å; Y920-L924 WeakPolarHBondContact O-CG 3.4Å; Y920-L924 PolarHBondContact O-N 3.04Å; A921-L924 PolarHBondContact O-N 2.88Å; S922-L924 VanDerWaalsContact C-N 3.34Å; S922-L924 PolarHBondContact O-N 2.98Å; L924-K927 PolarHBondContact O-N 2.71Å; L924-K929 HydrophobicContact CD2-CD 4.46Å; L924-K929 PolarHBondContact O-N 3.3Å; L924-A933 HydrophobicContact CB-CB 4.11Å; L924-L936 HydrophobicContact CD1-CD2 4.03Å
925	L	76.9	Confident	73.9	Confident	48 Å²	48	68.7 Å²	68.7	25%	0.251	35%	0.349	S	S	.	.	H	α-helix	trans	-67.1	-42.2	175	-67.7	171.9	0	0	0	112	A921 S922 H923 K927 N928 T930 A933 Y937 L949	A921-L925 WeakPolarHBondContact O-CG 3.26Å; A921-L925 PolarHBondContact O-N 3.15Å; S922-L925 WeakPolarHBondContact O-CB 3.14Å; S922-L925 PolarHBondContact O-N 3.18Å; S922-L925 VanDerWaalsContact O-N 3.17Å; H923-L925 VanDerWaalsContact C-N 3.32Å; L925-K927 PolarHBondContact O-N 3.29Å; L925-N928 PolarHBondContact O-N 3.21Å; L925-N928 VanDerWaalsContact O-N 3.08Å; L925-T930 HydrophobicContact CD2-CG2 4.14Å; L925-A933 HydrophobicContact CD2-CB 3.71Å; L925-A933 HydrophobicContact CG-CB 3.97Å; L925-Y937 HydrophobicContact CD1-CE2 4.43Å; L925-L949 HydrophobicContact CD1-CD1 4.46Å; L925-L949 HydrophobicContact CD2-CD1 3.94Å; L925-L949 HydrophobicContact CD2-CD2 4.09Å
926	E	74.4	Confident	74.4	Confident	154 Å²	154	67 Å²	67	72%	0.72	33%	0.334	S	S	*	.	H	α-helix	trans	-59.4	-34.7	174.1	-75.1	175.4	-178	0	0	112.4	S922 H923 N928	S922-E926 PolarHBondContact O-N 3.28Å; H923-E926 PolarHBondContact O-N 3.33Å; E926-N928 PolarHBondContact O-N 3.23Å
927	K	77	Confident	75	Confident	130 Å²	130	67.2 Å²	67.2	57%	0.565	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.5	12.3	177.2	-73.1	-174.1	170.2	168.1	0	114.4	H923 L924 L925 K929	H923-K927 PolarHBondContact CE1-NZ 3.26Å; H923-K927 VanDerWaalsContact CE1-NZ 3.27Å; H923-K927 WeakPolarHBondContact NE2-CE 3.25Å; H923-K927 PolarHBondContact NE2-NZ 3.5Å; H923-K927 PolarHBondContact O-N 2.9Å; L924-K927 PolarHBondContact O-N 2.71Å; L925-K927 PolarHBondContact O-N 3.29Å; K927-K929 PolarHBondContact O-N 3.32Å; K927-K929 VanDerWaalsContact O-N 3.14Å
928	N	73.1	Confident	75.5	Confident	139 Å²	139	71.2 Å²	71.2	74%	0.743	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	19.9	-176.7	-73.2	-31	0	0	0	114.7	L925 E926 T930	L925-N928 PolarHBondContact O-N 3.21Å; L925-N928 VanDerWaalsContact O-N 3.08Å; E926-N928 PolarHBondContact O-N 3.23Å; N928-T930 PolarHBondContact O-N 3.12Å; N928-T930 VanDerWaalsContact O-N 3.16Å
929	K	78.6	Confident	75.8	Confident	114 Å²	114	75.8 Å²	75.8	50%	0.496	36%	0.355	S	S	.	.			trans	-90.8	58.1	174.9	-66.6	-172.9	173.7	-165.2	0	110.6	L924 K927 L931 D932 A933	L924-K929 HydrophobicContact CD2-CD 4.46Å; L924-K929 PolarHBondContact O-N 3.3Å; K927-K929 PolarHBondContact O-N 3.32Å; K927-K929 VanDerWaalsContact O-N 3.14Å; K929-L931 VanDerWaalsContact C-N 3.32Å; K929-L931 PolarHBondContact O-N 2.99Å; K929-D932 HydrophobicContact CB-CB 4.28Å; K929-D932 PolarHBondContact O-N 2.68Å; K929-A933 PolarHBondContact O-N 2.92Å; K929-A933 VanDerWaalsContact O-N 3.14Å
930	T	79.7	Confident	75.7	Confident	45 Å²	45	69.8 Å²	69.8	28%	0.276	34%	0.339	S	S	.	.	H	α-helix	trans	-64.6	-33.5	-172	53.8	0	0	0	0	113.2	L925 N928 A933 I934	L925-T930 HydrophobicContact CD2-CG2 4.14Å; N928-T930 PolarHBondContact O-N 3.12Å; N928-T930 VanDerWaalsContact O-N 3.16Å; T930-A933 PolarHBondContact O-N 3.23Å; T930-I934 WeakPolarHBondContact O-CD1 3.16Å; T930-I934 WeakPolarHBondContact O-CG1 3.43Å; T930-I934 PolarHBondContact O-N 2.8Å
931	L	80.9	Confident	75.7	Confident	121 Å²	121	72 Å²	72	63%	0.634	36%	0.355	S	S	*	.	H	α-helix	trans	-68.9	-40.6	176.8	-65.9	175.5	0	0	0	112.7	K929 A933 I934 E935 I953	K929-L931 VanDerWaalsContact C-N 3.32Å; K929-L931 PolarHBondContact O-N 2.99Å; L931-A933 VanDerWaalsContact C-N 3.3Å; L931-A933 PolarHBondContact O-N 3.04Å; L931-I934 HydrophobicContact CD2-CD1 4.4Å; L931-I934 PolarHBondContact O-N 3.42Å; L931-E935 PolarHBondContact O-N 3.1Å; L931-I953 HydrophobicContact CD2-CD1 4.29Å
932	D	77.6	Confident	76.3	Confident	77 Å²	77	77.7 Å²	77.7	41%	0.412	38%	0.377	S	S	.	.	H	α-helix	trans	-65.3	-38.1	176.2	-61.9	-19.3	0	0	0	110.5	K929 E935 L936	K929-D932 HydrophobicContact CB-CB 4.28Å; K929-D932 PolarHBondContact O-N 2.68Å; D932-E935 PolarHBondContact O-N 2.81Å; D932-L936 WeakPolarHBondContact O-CB 3.32Å; D932-L936 PolarHBondContact O-N 3.33Å
933	A	78.6	Confident	76.6	Confident	0 Å²	0	76.3 Å²	76.3	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-64.7	-42.9	172.9	0	0	0	0	0	111.9	L924 L925 K929 T930 L931 E935 L936 Y937	L924-A933 HydrophobicContact CB-CB 4.11Å; L925-A933 HydrophobicContact CD2-CB 3.71Å; L925-A933 HydrophobicContact CG-CB 3.97Å; K929-A933 PolarHBondContact O-N 2.92Å; K929-A933 VanDerWaalsContact O-N 3.14Å; T930-A933 PolarHBondContact O-N 3.23Å; L931-A933 VanDerWaalsContact C-N 3.3Å; L931-A933 PolarHBondContact O-N 3.04Å; A933-E935 VanDerWaalsContact C-N 3.32Å; A933-E935 PolarHBondContact O-N 3.47Å; A933-L936 WeakPolarHBondContact O-CB 3.45Å; A933-L936 PolarHBondContact O-N 2.88Å; A933-Y937 WeakPolarHBondContact O-CD2 3.43Å; A933-Y937 PolarHBondContact O-N 2.94Å
934	I	80.3	Confident	76.9	Confident	12 Å²	12	77.4 Å²	77.4	6%	0.062	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-40.6	174.7	-71.7	163.1	0	0	0	110.8	T930 L931 Y937 R938 A946 L949 M950 I953	T930-I934 WeakPolarHBondContact O-CD1 3.16Å; T930-I934 WeakPolarHBondContact O-CG1 3.43Å; T930-I934 PolarHBondContact O-N 2.8Å; L931-I934 HydrophobicContact CD2-CD1 4.4Å; L931-I934 PolarHBondContact O-N 3.42Å; I934-Y937 PolarHBondContact O-N 3.3Å; I934-R938 WeakPolarHBondContact O-CB 3.42Å; I934-R938 PolarHBondContact O-N 3.34Å; I934-A946 HydrophobicContact CG2-CB 4.2Å; I934-L949 HydrophobicContact CD1-CB 3.93Å; I934-L949 HydrophobicContact CG1-CB 3.84Å; I934-L949 HydrophobicContact CG1-CD1 4.14Å; I934-M950 HydrophobicContact CD1-CB 4.47Å; I934-M950 HydrophobicContact CG2-CE 3.87Å; I934-I953 HydrophobicContact CD1-CD1 3.77Å
935	E	79.5	Confident	77.2	Confident	80 Å²	80	80 Å²	80	37%	0.374	38%	0.382	S	S	.	.	H	α-helix	trans	-66.2	-41.8	176.4	-168	-176	162.2	0	0	111.9	L931 D932 A933 R938 K939	L931-E935 PolarHBondContact O-N 3.1Å; D932-E935 PolarHBondContact O-N 2.81Å; A933-E935 VanDerWaalsContact C-N 3.32Å; A933-E935 PolarHBondContact O-N 3.47Å; E935-R938 PolarHBondContact O-N 3.27Å; E935-K939 WeakPolarHBondContact O-CG 3.34Å; E935-K939 PolarHBondContact O-N 3.06Å; E935-K939 WeakPolarHBondContact OE1-CE 3.44Å; E935-K939 IonicContact OE1-NZ 2.95Å; E935-K939 PolarHBondContact OE1-NZ 2.9Å
936	L	77.1	Confident	77.4	Confident	36 Å²	36	77.7 Å²	77.7	19%	0.188	37%	0.37	C	S	.	.	H	α-helix	trans	-60.3	-47.2	174.8	-174.9	70.2	0	0	0	111.1	L917 Y920 A921 L924 D932 A933 R938 K939 A940	L917-L936 HydrophobicContact CD2-CD1 4.22Å; Y920-L936 HydrophobicContact CD1-CD1 4.4Å; Y920-L936 HydrophobicContact CD1-CD2 3.59Å; Y920-L936 HydrophobicContact CE1-CD1 4.5Å; Y920-L936 HydrophobicContact CE1-CD2 4.12Å; Y920-L936 HydrophobicContact CG-CD2 4.45Å; A921-L936 HydrophobicContact CB-CD2 3.9Å; L924-L936 HydrophobicContact CD1-CD2 4.03Å; D932-L936 WeakPolarHBondContact O-CB 3.32Å; D932-L936 PolarHBondContact O-N 3.33Å; A933-L936 WeakPolarHBondContact O-CB 3.45Å; A933-L936 PolarHBondContact O-N 2.88Å; L936-R938 PolarHBondContact O-N 3.3Å; L936-K939 PolarHBondContact O-N 3.03Å; L936-A940 VanDerWaalsContact O-CB 3.31Å; L936-A940 WeakPolarHBondContact O-CB 3.46Å; L936-A940 PolarHBondContact O-N 2.9Å
937	Y	79.6	Confident	77.9	Confident	37 Å²	37	70.3 Å²	70.3	15%	0.145	34%	0.335	C	S	.	.	H	α-helix	trans	-62.7	-40.2	176.3	-75.3	-52	0	0	0	112.2	A921 L925 A933 I934 A940 N941 Y942 L949	A921-Y937 HydrophobicContact CB-CE1 3.72Å; A921-Y937 HydrophobicContact CB-CE2 3.97Å; A921-Y937 VanDerWaalsContact CB-OH 3.25Å; A921-Y937 WeakPolarHBondContact CB-OH 3.12Å; L925-Y937 HydrophobicContact CD1-CE2 4.43Å; A933-Y937 WeakPolarHBondContact O-CD2 3.43Å; A933-Y937 PolarHBondContact O-N 2.94Å; I934-Y937 PolarHBondContact O-N 3.3Å; Y937-A940 CarbonylContact O-C 3.55Å; Y937-A940 PolarHBondContact O-N 3.49Å; Y937-N941 PolarHBondContact O-N 3.01Å; Y937-N941 VanDerWaalsContact O-N 3.13Å; Y937-Y942 HydrophobicContact CD1-CD2 4.47Å; Y937-Y942 HydrophobicContact CD1-CG 4.45Å; Y937-Y942 PolarHBondContact O-N 2.89Å; Y937-L949 HydrophobicContact CD2-CD1 4.01Å; Y937-L949 HydrophobicContact CE2-CD1 3.88Å
938	R	76.8	Confident	78.2	Confident	132 Å²	132	70.5 Å²	70.5	50%	0.498	34%	0.336	S	S	.	.	H	α-helix	trans	-63.7	-45.1	174.7	-169.7	-176.7	69.1	173.3	-0.5	112	I934 E935 L936 A940 N941 F943	I934-R938 WeakPolarHBondContact O-CB 3.42Å; I934-R938 PolarHBondContact O-N 3.34Å; E935-R938 PolarHBondContact O-N 3.27Å; L936-R938 PolarHBondContact O-N 3.3Å; R938-A940 PolarHBondContact O-N 3.44Å; R938-N941 PolarHBondContact O-N 3.34Å; R938-N941 VanDerWaalsContact O-N 3.12Å; R938-F943 HydrophobicContact CG-CD1 4.43Å; R938-F943 HydrophobicContact CG-CE1 4.03Å
939	K	72.4	Confident	78.8	Confident	145 Å²	145	65.8 Å²	65.8	63%	0.63	31%	0.311	S	S	*	.	H	α-helix	trans	-63.2	-31.3	176.1	-76.4	178.1	-177.2	164.1	0	112.1	E935 L936 N941	E935-K939 WeakPolarHBondContact O-CG 3.34Å; E935-K939 PolarHBondContact O-N 3.06Å; E935-K939 WeakPolarHBondContact OE1-CE 3.44Å; E935-K939 IonicContact OE1-NZ 2.95Å; E935-K939 PolarHBondContact OE1-NZ 2.9Å; L936-K939 PolarHBondContact O-N 3.03Å; K939-N941 VanDerWaalsContact C-N 3.32Å
940	A	68.6	Low	79.2	Confident	31 Å²	31	61.7 Å²	61.7	26%	0.256	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	6.6	176.8	0	0	0	0	0	114	L936 Y937 R938 Y942	L936-A940 VanDerWaalsContact O-CB 3.31Å; L936-A940 WeakPolarHBondContact O-CB 3.46Å; L936-A940 PolarHBondContact O-N 2.9Å; Y937-A940 CarbonylContact O-C 3.55Å; Y937-A940 PolarHBondContact O-N 3.49Å; R938-A940 PolarHBondContact O-N 3.44Å; A940-Y942 VanDerWaalsContact C-N 3.34Å; A940-Y942 HydrophobicContact CB-CD2 3.68Å; A940-Y942 HydrophobicContact CB-CE2 3.98Å; A940-Y942 VanDerWaalsContact O-CD2 3.3Å; A940-Y942 WeakPolarHBondContact O-CD2 3.08Å; A940-Y942 PolarHBondContact O-N 3.3Å
941	N	72.1	Confident	79.5	Confident	100 Å²	100	62.7 Å²	62.7	54%	0.535	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.6	24.5	-179.5	-58.4	-50	0	0	0	116.1	Y937 R938 K939 F943	Y937-N941 PolarHBondContact O-N 3.01Å; Y937-N941 VanDerWaalsContact O-N 3.13Å; R938-N941 PolarHBondContact O-N 3.34Å; R938-N941 VanDerWaalsContact O-N 3.12Å; K939-N941 VanDerWaalsContact C-N 3.32Å; N941-F943 HydrophobicContact CB-CE2 4.01Å; N941-F943 PolarHBondContact O-N 2.89Å
942	Y	78.4	Confident	79.7	Confident	121 Å²	121	62.9 Å²	62.9	48%	0.475	29%	0.29	S	S	.	.			trans	-93.6	70.4	172.7	-67.4	-86	0	0	0	110.9	Y937 A940 F944 A946	Y937-Y942 HydrophobicContact CD1-CD2 4.47Å; Y937-Y942 HydrophobicContact CD1-CG 4.45Å; Y937-Y942 PolarHBondContact O-N 2.89Å; A940-Y942 VanDerWaalsContact C-N 3.34Å; A940-Y942 HydrophobicContact CB-CD2 3.68Å; A940-Y942 HydrophobicContact CB-CE2 3.98Å; A940-Y942 VanDerWaalsContact O-CD2 3.3Å; A940-Y942 WeakPolarHBondContact O-CD2 3.08Å; A940-Y942 PolarHBondContact O-N 3.3Å; Y942-F944 PolarHBondContact O-N 3.23Å; Y942-A946 PolarHBondContact O-N 2.89Å
943	F	79.1	Confident	80.2	Confident	30 Å²	30	60.9 Å²	60.9	13%	0.132	28%	0.279	C	S	.	.	H	α-helix	trans	-69.2	-31.2	-173.4	-60.2	-79.7	0	0	0	114.2	R938 N941 A947 L977 Q980	R938-F943 HydrophobicContact CG-CD1 4.43Å; R938-F943 HydrophobicContact CG-CE1 4.03Å; N941-F943 HydrophobicContact CB-CE2 4.01Å; N941-F943 PolarHBondContact O-N 2.89Å; F943-A947 WeakPolarHBondContact O-CB 3.35Å; F943-A947 PolarHBondContact O-N 3.26Å; F943-L977 HydrophobicContact CD1-CD2 4.28Å; F943-Q980 HydrophobicContact CD1-CB 4.28Å
944	F	81.5	Confident	80.5	Confident	58 Å²	58	60.9 Å²	60.9	25%	0.254	28%	0.279	S	S	.	.	H	α-helix	trans	-67.3	-47.5	-179.8	-174.9	-99	0	0	0	112.4	Y942 A946 A947 K948 Y981 T1020	Y942-F944 PolarHBondContact O-N 3.23Å; F944-A946 VanDerWaalsContact C-N 3.32Å; F944-A946 PolarHBondContact O-N 3.42Å; F944-A947 WeakPolarHBondContact O-CB 3.35Å; F944-A947 PolarHBondContact O-N 3.34Å; F944-K948 PolarHBondContact O-N 3.33Å; F944-Y981 HydrophobicContact CB-CD2 3.96Å; F944-Y981 HydrophobicContact CB-CE2 4.03Å; F944-Y981 HydrophobicContact CB-CG 4.39Å; F944-Y981 HydrophobicContact CD2-CD1 4.29Å; F944-Y981 HydrophobicContact CD2-CE1 4.15Å; F944-T1020 HydrophobicContact CE2-CG2 4.34Å
945	D	79	Confident	80.7	Confident	69 Å²	69	62.9 Å²	62.9	37%	0.369	29%	0.29	S	S	.	.	H	α-helix	trans	-65.7	-38.1	177.9	-63.5	-54.2	0	0	0	111.5	K948 L949	D945-K948 PolarHBondContact O-N 2.9Å; D945-L949 WeakPolarHBondContact O-CG 3.42Å; D945-L949 PolarHBondContact O-N 3.13Å; D945-L949 VanDerWaalsContact O-N 3.12Å
946	A	81.6	Confident	81	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-43.3	171.8	0	0	0	0	0	112	I934 Y942 F944 M950 L977	I934-A946 HydrophobicContact CG2-CB 4.2Å; Y942-A946 PolarHBondContact O-N 2.89Å; F944-A946 VanDerWaalsContact C-N 3.32Å; F944-A946 PolarHBondContact O-N 3.42Å; A946-M950 VanDerWaalsContact O-CB 3.31Å; A946-M950 WeakPolarHBondContact O-CB 3.46Å; A946-M950 PolarHBondContact O-N 2.89Å; A946-L977 HydrophobicContact CB-CD1 4.07Å
947	A	83.5	Confident	81.4	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.7	-41.7	179.1	0	0	0	0	0	112.6	F943 F944 M950 F951 S974 L977 I978	F943-A947 WeakPolarHBondContact O-CB 3.35Å; F943-A947 PolarHBondContact O-N 3.26Å; F944-A947 WeakPolarHBondContact O-CB 3.35Å; F944-A947 PolarHBondContact O-N 3.34Å; A947-M950 PolarHBondContact O-N 3.16Å; A947-F951 WeakPolarHBondContact O-CB 3.23Å; A947-F951 PolarHBondContact O-N 3.01Å; A947-S974 PolarHBondContact O-OG 3.44Å; A947-L977 HydrophobicContact CB-CB 3.71Å; A947-L977 HydrophobicContact CB-CD1 4.39Å; A947-I978 HydrophobicContact CB-CD1 4.47Å; A947-I978 HydrophobicContact CB-CG1 3.72Å
948	K	84.1	Confident	81.5	Confident	134 Å²	134	61.7 Å²	61.7	58%	0.583	29%	0.287	S	S	*	.	H	α-helix	trans	-63.9	-44.9	178.3	-172.9	177.7	-177.5	177.8	0	111.9	F944 D945 M950 F951 K952	F944-K948 PolarHBondContact O-N 3.33Å; D945-K948 PolarHBondContact O-N 2.9Å; K948-M950 VanDerWaalsContact C-N 3.33Å; K948-F951 PolarHBondContact O-N 3.45Å; K948-K952 PolarHBondContact O-N 3.49Å
949	L	84.9	Confident	81.8	Confident	40 Å²	40	62.8 Å²	62.8	21%	0.209	30%	0.295	C	S	.	.	H	α-helix	trans	-63.5	-41	175.1	-72.2	172.2	0	0	0	111.4	L925 I934 Y937 D945 K952 I953	L925-L949 HydrophobicContact CD1-CD1 4.46Å; L925-L949 HydrophobicContact CD2-CD1 3.94Å; L925-L949 HydrophobicContact CD2-CD2 4.09Å; I934-L949 HydrophobicContact CD1-CB 3.93Å; I934-L949 HydrophobicContact CG1-CB 3.84Å; I934-L949 HydrophobicContact CG1-CD1 4.14Å; Y937-L949 HydrophobicContact CD2-CD1 4.01Å; Y937-L949 HydrophobicContact CE2-CD1 3.88Å; D945-L949 WeakPolarHBondContact O-CG 3.42Å; D945-L949 PolarHBondContact O-N 3.13Å; D945-L949 VanDerWaalsContact O-N 3.12Å; L949-K952 PolarHBondContact O-N 3.43Å; L949-I953 WeakPolarHBondContact O-CG1 2.89Å; L949-I953 PolarHBondContact O-N 3.01Å; L949-I953 VanDerWaalsContact O-N 3.12Å
950	M	87.2	Confident	82.3	Confident	28 Å²	28	62.4 Å²	62.4	14%	0.138	29%	0.294	C	S	.	.	H	α-helix	trans	-67	-37.1	178.1	-166.1	174.3	-72	0	0	112.8	I934 A946 A947 K948 I953 A954 L973 S974 L977	I934-M950 HydrophobicContact CD1-CB 4.47Å; I934-M950 HydrophobicContact CG2-CE 3.87Å; A946-M950 VanDerWaalsContact O-CB 3.31Å; A946-M950 WeakPolarHBondContact O-CB 3.46Å; A946-M950 PolarHBondContact O-N 2.89Å; A947-M950 PolarHBondContact O-N 3.16Å; K948-M950 VanDerWaalsContact C-N 3.33Å; M950-I953 PolarHBondContact O-N 3.47Å; M950-A954 PolarHBondContact O-N 3.43Å; M950-A954 VanDerWaalsContact O-N 3.08Å; M950-L973 HydrophobicContact SD-CB 3.32Å; M950-L973 WeakPolarHBondContact SD-CB 3.37Å; M950-S974 PolarHBondContact SD-N 3.33Å; M950-S974 VanDerWaalsContact SD-N 3.43Å; M950-L977 HydrophobicContact CB-CD1 4.38Å; M950-L977 HydrophobicContact CE-CD1 3.42Å; M950-L977 VanDerWaalsContact CE-CD1 3.42Å; M950-L977 HydrophobicContact CE-CG 4.45Å; M950-L977 HydrophobicContact SD-CD1 3.66Å; M950-L977 HydrophobicContact SD-CG 4.46Å
951	F	86.4	Confident	82.6	Confident	66 Å²	66	64.1 Å²	64.1	29%	0.289	31%	0.314	S	S	.	.	H	α-helix	trans	-64.4	-42.9	173.5	-174.2	-97	0	0	0	111.9	A947 K948 I953 A954 D955 Y971 S974 F1019	A947-F951 WeakPolarHBondContact O-CB 3.23Å; A947-F951 PolarHBondContact O-N 3.01Å; K948-F951 PolarHBondContact O-N 3.45Å; F951-I953 VanDerWaalsContact C-N 3.28Å; F951-I953 PolarHBondContact O-N 3.38Å; F951-A954 WeakPolarHBondContact O-CA 3.49Å; F951-A954 WeakPolarHBondContact O-CB 3.47Å; F951-A954 PolarHBondContact O-N 2.93Å; F951-D955 PolarHBondContact O-N 3.07Å; F951-Y971 AromaticContact CD2-CD1 3.8Å; F951-Y971 HydrophobicContact CD2-CD1 3.8Å; F951-Y971 AromaticContact CD2-CE1 3.72Å; F951-Y971 HydrophobicContact CD2-CE1 3.72Å; F951-Y971 AromaticContact CE2-CD1 3.74Å; F951-Y971 HydrophobicContact CE2-CD1 3.74Å; F951-Y971 AromaticContact CE2-CE1 3.44Å; F951-Y971 HydrophobicContact CE2-CE1 3.44Å; F951-Y971 VanDerWaalsContact CE2-CE1 3.44Å; F951-Y971 HydrophobicContact CG-CE1 4.48Å; F951-Y971 AromaticContact CZ-CE1 3.95Å; F951-Y971 HydrophobicContact CZ-CE1 3.95Å; F951-S974 WeakPolarHBondContact CB-OG 3.45Å; F951-F1019 HydrophobicContact CB-CE2 3.7Å; F951-F1019 HydrophobicContact CB-CZ 3.86Å; F951-F1019 HydrophobicContact CD1-CD2 4.46Å; F951-F1019 AromaticContact CD1-CE2 3.85Å; F951-F1019 HydrophobicContact CD1-CE2 3.85Å; F951-F1019 HydrophobicContact CD2-CD2 4.38Å; F951-F1019 AromaticContact CD2-CE2 3.49Å; F951-F1019 HydrophobicContact CD2-CE2 3.49Å; F951-F1019 VanDerWaalsContact CD2-CE2 3.49Å; F951-F1019 HydrophobicContact CD2-CZ 4.33Å; F951-F1019 HydrophobicContact CE1-CE2 4.3Å; F951-F1019 HydrophobicContact CE2-CD2 4.41Å; F951-F1019 AromaticContact CE2-CE2 3.94Å; F951-F1019 HydrophobicContact CE2-CE2 3.94Å; F951-F1019 HydrophobicContact CG-CD2 4.37Å; F951-F1019 AromaticContact CG-CE2 3.41Å; F951-F1019 HydrophobicContact CG-CE2 3.41Å; F951-F1019 VanDerWaalsContact CG-CE2 3.41Å; F951-F1019 HydrophobicContact CG-CZ 4.11Å; F951-F1019 HydrophobicContact CZ-CE2 4.33Å
952	K	85.9	Confident	83.2	Confident	125 Å²	125	61 Å²	61	54%	0.543	30%	0.3	S	S	.	.	H	α-helix	trans	-59	-42.1	176.5	-171.7	-179	177.5	-173.2	0	111.4	K948 L949 A954 D955 E956	K948-K952 PolarHBondContact O-N 3.49Å; L949-K952 PolarHBondContact O-N 3.43Å; K952-A954 VanDerWaalsContact C-N 3.31Å; K952-A954 PolarHBondContact O-N 3.37Å; K952-D955 PolarHBondContact O-N 2.99Å; K952-E956 VanDerWaalsContact CE-OE1 3.24Å; K952-E956 WeakPolarHBondContact CE-OE1 3.36Å; K952-E956 WeakPolarHBondContact O-CG 3.47Å; K952-E956 PolarHBondContact O-N 3.41Å
953	I	87.4	Confident	83.5	Confident	34 Å²	34	63.6 Å²	63.6	17%	0.174	31%	0.314	C	S	.	.	H	α-helix	trans	-62.3	-39.5	174.4	-66	168.5	0	0	0	111	L931 I934 L949 M950 F951 E957 L970	L931-I953 HydrophobicContact CD2-CD1 4.29Å; I934-I953 HydrophobicContact CD1-CD1 3.77Å; L949-I953 WeakPolarHBondContact O-CG1 2.89Å; L949-I953 PolarHBondContact O-N 3.01Å; L949-I953 VanDerWaalsContact O-N 3.12Å; M950-I953 PolarHBondContact O-N 3.47Å; F951-I953 VanDerWaalsContact C-N 3.28Å; F951-I953 PolarHBondContact O-N 3.38Å; I953-E957 WeakPolarHBondContact O-CB 3.49Å; I953-E957 WeakPolarHBondContact O-CG 3.39Å; I953-E957 PolarHBondContact O-N 2.92Å; I953-L970 HydrophobicContact CG2-CD1 4.32Å
954	A	85.3	Confident	83.8	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-44	176.9	0	0	0	0	0	112.3	M950 F951 K952 E957 A958 L970 Y971	M950-A954 PolarHBondContact O-N 3.43Å; M950-A954 VanDerWaalsContact O-N 3.08Å; F951-A954 WeakPolarHBondContact O-CA 3.49Å; F951-A954 WeakPolarHBondContact O-CB 3.47Å; F951-A954 PolarHBondContact O-N 2.93Å; K952-A954 VanDerWaalsContact C-N 3.31Å; K952-A954 PolarHBondContact O-N 3.37Å; A954-E957 PolarHBondContact O-N 3.4Å; A954-A958 WeakPolarHBondContact O-CB 3.34Å; A954-A958 PolarHBondContact O-N 3.02Å; A954-L970 HydrophobicContact CB-CB 3.65Å; A954-Y971 HydrophobicContact CB-CD1 3.65Å; A954-Y971 HydrophobicContact CB-CD2 4.07Å; A954-Y971 HydrophobicContact CB-CE1 3.61Å; A954-Y971 HydrophobicContact CB-CE2 4.04Å; A954-Y971 HydrophobicContact CB-CG 3.87Å
955	D	83.8	Confident	84.1	Confident	55 Å²	55	65.2 Å²	65.2	29%	0.294	33%	0.328	S	S	.	.	H	α-helix	trans	-67.4	-39.9	178.2	-174	43.8	0	0	0	112.6	F951 K952 A958 K959 Y971	F951-D955 PolarHBondContact O-N 3.07Å; K952-D955 PolarHBondContact O-N 2.99Å; D955-A958 WeakPolarHBondContact O-CB 3.44Å; D955-A958 PolarHBondContact O-N 2.94Å; D955-K959 WeakPolarHBondContact O-CG 3.41Å; D955-K959 PolarHBondContact O-N 3.11Å; D955-K959 VanDerWaalsContact O-N 3.08Å; D955-K959 WeakPolarHBondContact OD1-CE 3.42Å; D955-K959 IonicContact OD1-NZ 3.38Å; D955-K959 WeakPolarHBondContact OD2-CE 3.47Å; D955-K959 IonicContact OD2-NZ 3.17Å; D955-K959 PolarHBondContact OD2-NZ 3.42Å; D955-Y971 WeakPolarHBondContact CA-OH 3.46Å
956	E	85.6	Confident	84.5	Confident	86 Å²	86	69.1 Å²	69.1	40%	0.402	34%	0.338	S	S	.	.	H	α-helix	trans	-64.9	-38.9	174	-74	177.7	-170.9	0	0	112.3	K952 K960	K952-E956 VanDerWaalsContact CE-OE1 3.24Å; K952-E956 WeakPolarHBondContact CE-OE1 3.36Å; K952-E956 WeakPolarHBondContact O-CG 3.47Å; K952-E956 PolarHBondContact O-N 3.41Å; E956-K960 WeakPolarHBondContact O-CG 3.19Å; E956-K960 PolarHBondContact O-N 2.95Å
957	E	85.4	Confident	84.8	Confident	28 Å²	28	69.1 Å²	69.1	13%	0.131	34%	0.338	C	S	.	.	H	α-helix	trans	-70.6	-33.8	175.2	-75.6	-70.4	129.9	0	0	112.6	I953 A954 K960 S962 R966 V967 L970	I953-E957 WeakPolarHBondContact O-CB 3.49Å; I953-E957 WeakPolarHBondContact O-CG 3.39Å; I953-E957 PolarHBondContact O-N 2.92Å; A954-E957 PolarHBondContact O-N 3.4Å; E957-K960 PolarHBondContact O-N 3.35Å; E957-K960 IonicContact OE1-NZ 3.33Å; E957-K960 PolarHBondContact OE1-NZ 3.36Å; E957-S962 WeakPolarHBondContact O-CB 3.26Å; E957-S962 PolarHBondContact O-N 3Å; E957-S962 WeakPolarHBondContact OE2-CB 3.39Å; E957-S962 PolarHBondContact OE2-OG 3.39Å; E957-R966 IonicContact OE2-NE 3.62Å; E957-V967 HydrophobicContact CB-CG2 4.43Å; E957-L970 HydrophobicContact CB-CD1 4.04Å; E957-L970 HydrophobicContact CG-CD1 3.86Å
958	A	82.8	Confident	85.1	Confident	13 Å²	13	69.7 Å²	69.7	11%	0.107	34%	0.34	C	S	.	.	H	α-helix	trans	-60.6	-47.9	173.1	0	0	0	0	0	111.2	A954 D955 K960 G961 V967 Y1030	A954-A958 WeakPolarHBondContact O-CB 3.34Å; A954-A958 PolarHBondContact O-N 3.02Å; D955-A958 WeakPolarHBondContact O-CB 3.44Å; D955-A958 PolarHBondContact O-N 2.94Å; A958-K960 VanDerWaalsContact C-N 3.26Å; A958-K960 PolarHBondContact O-N 2.67Å; A958-G961 PolarHBondContact O-N 3.05Å; A958-G961 VanDerWaalsContact O-N 3.15Å; A958-V967 HydrophobicContact CB-CG1 3.82Å; A958-Y1030 HydrophobicContact CB-CE2 4.19Å; A958-Y1030 WeakPolarHBondContact CB-OH 3.49Å
959	K	82.6	Confident	85.3	Confident	156 Å²	156	69.5 Å²	69.5	68%	0.678	34%	0.339	S	S	*	.	H	α-helix	trans	-63.9	-27.1	178.9	-71.1	170.9	-169.5	162	0	113.9	D955 G961	D955-K959 WeakPolarHBondContact O-CG 3.41Å; D955-K959 PolarHBondContact O-N 3.11Å; D955-K959 VanDerWaalsContact O-N 3.08Å; D955-K959 WeakPolarHBondContact OD1-CE 3.42Å; D955-K959 IonicContact OD1-NZ 3.38Å; D955-K959 WeakPolarHBondContact OD2-CE 3.47Å; D955-K959 IonicContact OD2-NZ 3.17Å; D955-K959 PolarHBondContact OD2-NZ 3.42Å; K959-G961 PolarHBondContact O-N 2.93Å
960	K	83.5	Confident	85.5	Confident	137 Å²	137	69.1 Å²	69.1	60%	0.596	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-7.9	177.5	-73.5	169.1	-176.5	166	0	113.9	E956 E957 A958 S962	E956-K960 WeakPolarHBondContact O-CG 3.19Å; E956-K960 PolarHBondContact O-N 2.95Å; E957-K960 PolarHBondContact O-N 3.35Å; E957-K960 IonicContact OE1-NZ 3.33Å; E957-K960 PolarHBondContact OE1-NZ 3.36Å; A958-K960 VanDerWaalsContact C-N 3.26Å; A958-K960 PolarHBondContact O-N 2.67Å; K960-S962 VanDerWaalsContact C-N 3.29Å; K960-S962 PolarHBondContact O-N 3.1Å
961	G	75.7	Confident	85.6	Confident	66 Å²	66	68.1 Å²	68.1	68%	0.68	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	25.5	-173.6	0	0	0	0	0	113.2	A958 K959	A958-G961 PolarHBondContact O-N 3.05Å; A958-G961 VanDerWaalsContact O-N 3.15Å; K959-G961 PolarHBondContact O-N 2.93Å
962	S	82.9	Confident	85.7	Confident	34 Å²	34	65.8 Å²	65.8	24%	0.238	32%	0.323	C	S	.	.			trans	-59.2	156.6	175.2	-80.6	0	0	0	0	111.4	E957 K960 P964	E957-S962 WeakPolarHBondContact O-CB 3.26Å; E957-S962 PolarHBondContact O-N 3Å; E957-S962 WeakPolarHBondContact OE2-CB 3.39Å; E957-S962 PolarHBondContact OE2-OG 3.39Å; K960-S962 VanDerWaalsContact C-N 3.29Å; K960-S962 PolarHBondContact O-N 3.1Å; S962-P964 VanDerWaalsContact O-N 3.16Å
963	K	85.8	Confident	85.9	Confident	176 Å²	176	64 Å²	64	77%	0.765	32%	0.319	S	S	*	.			trans	-46.8	123.4	-179.6	-69.1	-177.9	179.8	179.6	0	111.1	L965 R966 V967	K963-L965 PolarHBondContact O-N 3.1Å; K963-R966 WeakPolarHBondContact O-CB 3.46Å; K963-R966 PolarHBondContact O-N 2.98Å; K963-V967 PolarHBondContact O-N 3.2Å
964	P	86.1	Confident	85.9	Confident	40 Å²	40	62.5 Å²	62.5	26%	0.26	31%	0.311	S	S	.	.	H	α-helix	trans	-49.8	-34.6	-175.2	-34.8	37.7	0	0	0	114.9	S962 R966 V967 K968 Y1030 F1033 I1034	S962-P964 VanDerWaalsContact O-N 3.16Å; P964-R966 PolarHBondContact O-N 3.33Å; P964-V967 PolarHBondContact O-N 3.19Å; P964-K968 PolarHBondContact O-N 3.11Å; P964-Y1030 HydrophobicContact CB-CD1 4Å; P964-F1033 HydrophobicContact CG-CD1 4.45Å; P964-F1033 HydrophobicContact CG-CE1 4.33Å; P964-I1034 HydrophobicContact CB-CD1 3.76Å; P964-I1034 HydrophobicContact CB-CG1 3.68Å
965	L	87	Confident	85.9	Confident	83 Å²	83	62.5 Å²	62.5	44%	0.435	31%	0.311	S	S	.	.	H	α-helix	trans	-65.2	-35.6	177.8	-175.6	65.1	0	0	0	113.5	K963 K969 I1034	K963-L965 PolarHBondContact O-N 3.1Å; L965-K969 WeakPolarHBondContact O-CG 3.46Å; L965-K969 PolarHBondContact O-N 3.05Å; L965-K969 VanDerWaalsContact O-N 3.11Å; L965-I1034 HydrophobicContact CB-CD1 4.5Å
966	R	87.4	Confident	86.1	Confident	151 Å²	151	62.6 Å²	62.6	57%	0.57	31%	0.312	S	S	*	.	H	α-helix	trans	-69.4	-43.2	177.1	178	176.1	172.7	132.4	-0.5	110.3	E957 K963 P964 K969 L970	E957-R966 IonicContact OE2-NE 3.62Å; K963-R966 WeakPolarHBondContact O-CB 3.46Å; K963-R966 PolarHBondContact O-N 2.98Å; P964-R966 PolarHBondContact O-N 3.33Å; R966-K969 PolarHBondContact O-N 3.5Å; R966-L970 HydrophobicContact CG-CD1 4.43Å; R966-L970 WeakPolarHBondContact O-CG 3.38Å; R966-L970 PolarHBondContact O-N 3.15Å; R966-L970 VanDerWaalsContact O-N 3.1Å
967	V	88.2	Confident	86.1	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-46.6	176.6	-178	0	0	0	0	110.4	E957 A958 K963 P964 K969 L970 Y971 Y1030	E957-V967 HydrophobicContact CB-CG2 4.43Å; A958-V967 HydrophobicContact CB-CG1 3.82Å; K963-V967 PolarHBondContact O-N 3.2Å; P964-V967 PolarHBondContact O-N 3.19Å; V967-K969 VanDerWaalsContact C-N 3.34Å; V967-K969 PolarHBondContact O-N 3.11Å; V967-L970 PolarHBondContact O-N 3.28Å; V967-Y971 HydrophobicContact CG1-CD2 3.76Å; V967-Y971 HydrophobicContact CG1-CE2 3.48Å; V967-Y971 VanDerWaalsContact CG1-CE2 3.48Å; V967-Y971 WeakPolarHBondContact O-CD2 3.29Å; V967-Y971 PolarHBondContact O-N 3.22Å; V967-Y971 VanDerWaalsContact O-N 3.1Å; V967-Y1030 HydrophobicContact CB-CD2 4.48Å; V967-Y1030 HydrophobicContact CB-CE2 4.44Å; V967-Y1030 HydrophobicContact CG1-CD2 3.7Å; V967-Y1030 HydrophobicContact CG1-CE1 4.31Å; V967-Y1030 HydrophobicContact CG1-CE2 3.46Å; V967-Y1030 VanDerWaalsContact CG1-CE2 3.46Å; V967-Y1030 HydrophobicContact CG1-CG 4.22Å
968	K	88.9	Confident	86	Confident	11 Å²	11	57.9 Å²	57.9	5%	0.048	29%	0.29	C	S	.	.	H	α-helix	trans	-52.5	-49.1	171.7	-175.8	-173.8	175.7	-171.9	0	111.7	P964 L970 Y971 V972 H1031 P1174 L1175	P964-K968 PolarHBondContact O-N 3.11Å; K968-L970 VanDerWaalsContact C-N 3.33Å; K968-L970 PolarHBondContact O-N 2.92Å; K968-Y971 PolarHBondContact O-N 3.45Å; K968-V972 HydrophobicContact CG-CG2 4.33Å; K968-V972 VanDerWaalsContact O-CG2 3.26Å; K968-V972 WeakPolarHBondContact O-CG2 3.32Å; K968-V972 PolarHBondContact O-N 3.29Å; K968-H1031 HydrophobicContact CD-CB 4.22Å; K968-H1031 PolarHBondContact NZ-ND1 3.41Å; K968-P1174 PolarHBondContact NZ-O 2.85Å; K968-L1175 VanDerWaalsContact CE-O 3.28Å; K968-L1175 WeakPolarHBondContact CE-O 3.49Å; K968-L1175 PolarHBondContact NZ-O 2.92Å
969	K	89.1	Confident	86	Confident	131 Å²	131	59.1 Å²	59.1	57%	0.57	29%	0.294	S	S	*	.	H	α-helix	trans	-60.7	-39.4	-179	-76.1	179.6	178.7	-171.6	0	112.9	L965 R966 V967 V972 L973	L965-K969 WeakPolarHBondContact O-CG 3.46Å; L965-K969 PolarHBondContact O-N 3.05Å; L965-K969 VanDerWaalsContact O-N 3.11Å; R966-K969 PolarHBondContact O-N 3.5Å; V967-K969 VanDerWaalsContact C-N 3.34Å; V967-K969 PolarHBondContact O-N 3.11Å; K969-V972 PolarHBondContact O-N 3.19Å; K969-L973 WeakPolarHBondContact O-CG 3.33Å; K969-L973 PolarHBondContact O-N 3.48Å
970	L	88.5	Confident	86	Confident	31 Å²	31	55.8 Å²	55.8	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-43.2	179.2	-68.3	169.2	0	0	0	111.7	I953 A954 E957 R966 V967 K968 V972 L973 S974	I953-L970 HydrophobicContact CG2-CD1 4.32Å; A954-L970 HydrophobicContact CB-CB 3.65Å; E957-L970 HydrophobicContact CB-CD1 4.04Å; E957-L970 HydrophobicContact CG-CD1 3.86Å; R966-L970 HydrophobicContact CG-CD1 4.43Å; R966-L970 WeakPolarHBondContact O-CG 3.38Å; R966-L970 PolarHBondContact O-N 3.15Å; R966-L970 VanDerWaalsContact O-N 3.1Å; V967-L970 PolarHBondContact O-N 3.28Å; K968-L970 VanDerWaalsContact C-N 3.33Å; K968-L970 PolarHBondContact O-N 2.92Å; L970-V972 VanDerWaalsContact C-N 3.34Å; L970-V972 PolarHBondContact O-N 3.34Å; L970-L973 PolarHBondContact O-N 3.38Å; L970-S974 PolarHBondContact O-N 3.14Å
971	Y	89.4	Confident	86	Confident	7 Å²	7	52.3 Å²	52.3	3%	0.027	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-40.2	173.2	-77	-62.2	0	0	0	112.2	F951 A954 D955 V967 K968 S974 A975 Y1030	F951-Y971 AromaticContact CD2-CD1 3.8Å; F951-Y971 HydrophobicContact CD2-CD1 3.8Å; F951-Y971 AromaticContact CD2-CE1 3.72Å; F951-Y971 HydrophobicContact CD2-CE1 3.72Å; F951-Y971 AromaticContact CE2-CD1 3.74Å; F951-Y971 HydrophobicContact CE2-CD1 3.74Å; F951-Y971 AromaticContact CE2-CE1 3.44Å; F951-Y971 HydrophobicContact CE2-CE1 3.44Å; F951-Y971 VanDerWaalsContact CE2-CE1 3.44Å; F951-Y971 HydrophobicContact CG-CE1 4.48Å; F951-Y971 AromaticContact CZ-CE1 3.95Å; F951-Y971 HydrophobicContact CZ-CE1 3.95Å; A954-Y971 HydrophobicContact CB-CD1 3.65Å; A954-Y971 HydrophobicContact CB-CD2 4.07Å; A954-Y971 HydrophobicContact CB-CE1 3.61Å; A954-Y971 HydrophobicContact CB-CE2 4.04Å; A954-Y971 HydrophobicContact CB-CG 3.87Å; D955-Y971 WeakPolarHBondContact CA-OH 3.46Å; V967-Y971 HydrophobicContact CG1-CD2 3.76Å; V967-Y971 HydrophobicContact CG1-CE2 3.48Å; V967-Y971 VanDerWaalsContact CG1-CE2 3.48Å; V967-Y971 WeakPolarHBondContact O-CD2 3.29Å; V967-Y971 PolarHBondContact O-N 3.22Å; V967-Y971 VanDerWaalsContact O-N 3.1Å; K968-Y971 PolarHBondContact O-N 3.45Å; Y971-S974 PolarHBondContact O-N 3Å; Y971-A975 WeakPolarHBondContact O-CB 3.37Å; Y971-A975 PolarHBondContact O-N 3.46Å; Y971-Y1030 HydrophobicContact CD2-CD2 4.39Å; Y971-Y1030 HydrophobicContact CE2-CD2 4.19Å; Y971-Y1030 HydrophobicContact CE2-CE2 4.13Å
972	V	89.5	Confident	86.2	Confident	18 Å²	18	51.8 Å²	51.8	11%	0.109	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-44.2	175	171.5	0	0	0	0	111.4	K968 K969 L970 S974 A975 L976 W1024 A1027	K968-V972 HydrophobicContact CG-CG2 4.33Å; K968-V972 VanDerWaalsContact O-CG2 3.26Å; K968-V972 WeakPolarHBondContact O-CG2 3.32Å; K968-V972 PolarHBondContact O-N 3.29Å; K969-V972 PolarHBondContact O-N 3.19Å; L970-V972 VanDerWaalsContact C-N 3.34Å; L970-V972 PolarHBondContact O-N 3.34Å; V972-S974 VanDerWaalsContact C-N 3.35Å; V972-S974 PolarHBondContact O-N 3.21Å; V972-A975 PolarHBondContact O-N 3.21Å; V972-L976 HydrophobicContact CG1-CD1 4Å; V972-L976 HydrophobicContact CG1-CG 4.35Å; V972-L976 VanDerWaalsContact O-CG 3.28Å; V972-L976 WeakPolarHBondContact O-CG 3.17Å; V972-L976 PolarHBondContact O-N 3.49Å; V972-W1024 HydrophobicContact CB-CZ3 4.4Å; V972-W1024 HydrophobicContact CG1-CH2 4.32Å; V972-W1024 HydrophobicContact CG1-CZ3 4.09Å; V972-W1024 HydrophobicContact CG2-CZ3 4.14Å; V972-A1027 HydrophobicContact CG2-CB 3.8Å
973	L	88.7	Confident	86	Confident	88 Å²	88	56 Å²	56	46%	0.461	26%	0.26	S	S	.	.	H	α-helix	trans	-64.7	-39.1	178.6	-71.4	170.1	0	0	0	112.2	M950 K969 L970 L976 L977	M950-L973 HydrophobicContact SD-CB 3.32Å; M950-L973 WeakPolarHBondContact SD-CB 3.37Å; K969-L973 WeakPolarHBondContact O-CG 3.33Å; K969-L973 PolarHBondContact O-N 3.48Å; L970-L973 PolarHBondContact O-N 3.38Å; L973-L976 PolarHBondContact O-N 3.36Å; L973-L977 PolarHBondContact O-N 3.39Å; L973-L977 VanDerWaalsContact O-N 3.13Å
974	S	87	Confident	85.6	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	24%	0.24	C	C	.	.	H	α-helix	trans	-63.1	-45.9	174.6	179.1	0	0	0	0	111.3	A947 M950 F951 L970 Y971 V972 L976 L977 I978	A947-S974 PolarHBondContact O-OG 3.44Å; M950-S974 PolarHBondContact SD-N 3.33Å; M950-S974 VanDerWaalsContact SD-N 3.43Å; F951-S974 WeakPolarHBondContact CB-OG 3.45Å; L970-S974 PolarHBondContact O-N 3.14Å; Y971-S974 PolarHBondContact O-N 3Å; V972-S974 VanDerWaalsContact C-N 3.35Å; V972-S974 PolarHBondContact O-N 3.21Å; S974-L976 VanDerWaalsContact C-N 3.33Å; S974-L976 PolarHBondContact O-N 2.7Å; S974-L977 PolarHBondContact O-N 3.41Å; S974-I978 PolarHBondContact O-N 3.16Å
975	A	85.9	Confident	85	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-38.2	176.8	0	0	0	0	0	112.5	Y971 V972 L977 I978 E979 A1023 W1024	Y971-A975 WeakPolarHBondContact O-CB 3.37Å; Y971-A975 PolarHBondContact O-N 3.46Å; V972-A975 PolarHBondContact O-N 3.21Å; A975-L977 PolarHBondContact O-N 3.03Å; A975-I978 WeakPolarHBondContact O-CB 3.45Å; A975-I978 PolarHBondContact O-N 3.3Å; A975-E979 PolarHBondContact O-N 3.14Å; A975-A1023 HydrophobicContact CB-CB 4.21Å; A975-W1024 HydrophobicContact CB-CD2 3.73Å; A975-W1024 HydrophobicContact CB-CE3 3.96Å; A975-W1024 HydrophobicContact CB-CG 4.28Å; A975-W1024 HydrophobicContact CB-CH2 4.02Å; A975-W1024 HydrophobicContact CB-CZ2 3.82Å; A975-W1024 HydrophobicContact CB-CZ3 4.1Å
976	L	87.6	Confident	84.3	Confident	57 Å²	57	55 Å²	55	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-65.2	-36	175.4	-72.7	171.9	0	0	0	112.9	V972 L973 S974 I978 E979 Q980 W1024 V1157	V972-L976 HydrophobicContact CG1-CD1 4Å; V972-L976 HydrophobicContact CG1-CG 4.35Å; V972-L976 VanDerWaalsContact O-CG 3.28Å; V972-L976 WeakPolarHBondContact O-CG 3.17Å; V972-L976 PolarHBondContact O-N 3.49Å; L973-L976 PolarHBondContact O-N 3.36Å; S974-L976 VanDerWaalsContact C-N 3.33Å; S974-L976 PolarHBondContact O-N 2.7Å; L976-I978 VanDerWaalsContact C-N 3.3Å; L976-E979 PolarHBondContact O-N 2.71Å; L976-Q980 WeakPolarHBondContact O-CG 3.28Å; L976-Q980 PolarHBondContact O-N 3.47Å; L976-W1024 HydrophobicContact CD2-CH2 4.17Å; L976-W1024 HydrophobicContact CD2-CZ2 4.42Å; L976-W1024 HydrophobicContact CG-CH2 4.29Å; L976-V1157 HydrophobicContact CD2-CG1 4.06Å
977	L	85.3	Confident	83.4	Confident	14 Å²	14	52.7 Å²	52.7	7%	0.073	25%	0.25	C	S	.	.	H	α-helix	trans	-66.2	-33.7	173.9	-73.2	175.1	0	0	0	112	F943 A946 A947 M950 L973 S974 A975 Q980 Y981	F943-L977 HydrophobicContact CD1-CD2 4.28Å; A946-L977 HydrophobicContact CB-CD1 4.07Å; A947-L977 HydrophobicContact CB-CB 3.71Å; A947-L977 HydrophobicContact CB-CD1 4.39Å; M950-L977 HydrophobicContact CB-CD1 4.38Å; M950-L977 HydrophobicContact CE-CD1 3.42Å; M950-L977 VanDerWaalsContact CE-CD1 3.42Å; M950-L977 HydrophobicContact CE-CG 4.45Å; M950-L977 HydrophobicContact SD-CD1 3.66Å; M950-L977 HydrophobicContact SD-CG 4.46Å; L973-L977 PolarHBondContact O-N 3.39Å; L973-L977 VanDerWaalsContact O-N 3.13Å; S974-L977 PolarHBondContact O-N 3.41Å; A975-L977 PolarHBondContact O-N 3.03Å; L977-Q980 PolarHBondContact O-N 2.97Å; L977-Y981 PolarHBondContact O-N 2.93Å
978	I	85.1	Confident	82.1	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-68	-39.8	173.6	-64.6	170	0	0	0	110.4	A947 S974 A975 L976 Q980 Y981 H982 F1019 A1023	A947-I978 HydrophobicContact CB-CD1 4.47Å; A947-I978 HydrophobicContact CB-CG1 3.72Å; S974-I978 PolarHBondContact O-N 3.16Å; A975-I978 WeakPolarHBondContact O-CB 3.45Å; A975-I978 PolarHBondContact O-N 3.3Å; L976-I978 VanDerWaalsContact C-N 3.3Å; I978-Q980 VanDerWaalsContact C-N 3.35Å; I978-Q980 PolarHBondContact O-N 3.07Å; I978-Y981 WeakPolarHBondContact O-CB 3.34Å; I978-Y981 PolarHBondContact O-N 3.49Å; I978-H982 PolarHBondContact O-N 3.22Å; I978-F1019 HydrophobicContact CD1-CD1 4.17Å; I978-F1019 HydrophobicContact CD1-CE1 3.52Å; I978-F1019 HydrophobicContact CD1-CE2 4.32Å; I978-F1019 HydrophobicContact CD1-CZ 3.61Å; I978-F1019 HydrophobicContact CG1-CE1 4.25Å; I978-A1023 HydrophobicContact CD1-CB 3.65Å; I978-A1023 HydrophobicContact CG2-CB 4.43Å
979	E	82.6	Confident	80.7	Confident	40 Å²	40	61.7 Å²	61.7	19%	0.187	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-38.3	173.5	-67.4	-57.7	158.6	0	0	112.1	A975 L976 Y981 H982 E983 W1024	A975-E979 PolarHBondContact O-N 3.14Å; L976-E979 PolarHBondContact O-N 2.71Å; E979-Y981 VanDerWaalsContact C-N 3.31Å; E979-Y981 PolarHBondContact O-N 3.18Å; E979-H982 PolarHBondContact O-N 3.24Å; E979-H982 IonicContact OE2-ND1 2.79Å; E979-E983 PolarHBondContact O-N 2.58Å; E979-W1024 HydrophobicContact CG-CZ2 4.47Å
980	Q	82.6	Confident	79	Confident	85 Å²	85	65.3 Å²	65.3	40%	0.397	31%	0.312	S	S	.	.	H	α-helix	trans	-62.6	-38.7	172.6	-73.2	-179.5	-6.5	0	0	112.1	F943 L976 L977 I978 E983 Q984	F943-Q980 HydrophobicContact CD1-CB 4.28Å; L976-Q980 WeakPolarHBondContact O-CG 3.28Å; L976-Q980 PolarHBondContact O-N 3.47Å; L977-Q980 PolarHBondContact O-N 2.97Å; I978-Q980 VanDerWaalsContact C-N 3.35Å; I978-Q980 PolarHBondContact O-N 3.07Å; Q980-E983 PolarHBondContact O-N 3.23Å; Q980-Q984 WeakPolarHBondContact O-CB 3.36Å; Q980-Q984 PolarHBondContact O-N 3.3Å
981	Y	82.3	Confident	77.2	Confident	64 Å²	64	67 Å²	67	25%	0.251	34%	0.338	S	S	.	.	H	α-helix	trans	-63.4	-43.8	172.3	172.7	-102.8	0	0	0	111.6	F944 L977 I978 E979 E983 Q984 M985	F944-Y981 HydrophobicContact CB-CD2 3.96Å; F944-Y981 HydrophobicContact CB-CE2 4.03Å; F944-Y981 HydrophobicContact CB-CG 4.39Å; F944-Y981 HydrophobicContact CD2-CD1 4.29Å; F944-Y981 HydrophobicContact CD2-CE1 4.15Å; L977-Y981 PolarHBondContact O-N 2.93Å; I978-Y981 WeakPolarHBondContact O-CB 3.34Å; I978-Y981 PolarHBondContact O-N 3.49Å; E979-Y981 VanDerWaalsContact C-N 3.31Å; E979-Y981 PolarHBondContact O-N 3.18Å; Y981-E983 PolarHBondContact O-N 2.89Å; Y981-Q984 PolarHBondContact O-N 3.32Å; Y981-M985 HydrophobicContact CD2-CE 4.36Å; Y981-M985 HydrophobicContact CE1-CG 4.25Å; Y981-M985 HydrophobicContact CE2-CE 3.46Å; Y981-M985 VanDerWaalsContact CE2-CE 3.46Å; Y981-M985 HydrophobicContact CE2-CG 4.14Å; Y981-M985 WeakPolarHBondContact O-CG 3.28Å; Y981-M985 PolarHBondContact O-N 3.04Å
982	H	80.6	Confident	75.3	Confident	55 Å²	55	75.2 Å²	75.2	26%	0.255	37%	0.373	S	S	.	.	H	α-helix	trans	-64	-37.6	175	-68.5	164.7	0	0	0	112.7	I978 E979 M985 K986	I978-H982 PolarHBondContact O-N 3.22Å; E979-H982 PolarHBondContact O-N 3.24Å; E979-H982 IonicContact OE2-ND1 2.79Å; H982-M985 PolarHBondContact O-N 3.13Å; H982-K986 WeakPolarHBondContact O-CB 3.33Å; H982-K986 VanDerWaalsContact O-CG 3.3Å; H982-K986 WeakPolarHBondContact O-CG 3.43Å; H982-K986 PolarHBondContact O-N 3.3Å
983	E	77.8	Confident	73.3	Confident	123 Å²	123	80.4 Å²	80.4	58%	0.575	41%	0.405	S	S	*	.	H	α-helix	trans	-65.9	-43	172.9	-77.3	-172.7	168.6	0	0	112	E979 Q980 Y981 M985 K986 N987	E979-E983 PolarHBondContact O-N 2.58Å; Q980-E983 PolarHBondContact O-N 3.23Å; Y981-E983 PolarHBondContact O-N 2.89Å; E983-M985 VanDerWaalsContact C-N 3.31Å; E983-M985 PolarHBondContact O-N 3.46Å; E983-K986 PolarHBondContact O-N 3.25Å; E983-N987 VanDerWaalsContact O-CB 3.31Å; E983-N987 WeakPolarHBondContact O-CB 3.42Å; E983-N987 VanDerWaalsContact O-CG 3.28Å; E983-N987 PolarHBondContact O-N 3.38Å; E983-N987 PolarHBondContact O-ND2 3.4Å
984	Q	78.3	Confident	71.2	Confident	76 Å²	76	86.5 Å²	86.5	36%	0.355	43%	0.428	S	S	.	.	H	α-helix	trans	-59.3	-44	174.7	-173.2	-175.7	10.8	0	0	110.9	Q980 Y981 N987 A988	Q980-Q984 WeakPolarHBondContact O-CB 3.36Å; Q980-Q984 PolarHBondContact O-N 3.3Å; Y981-Q984 PolarHBondContact O-N 3.32Å; Q984-N987 PolarHBondContact O-N 3.04Å; Q984-A988 WeakPolarHBondContact O-CB 3.26Å; Q984-A988 PolarHBondContact O-N 3.44Å
985	M	74.1	Confident	68.9	Low	86 Å²	86	89.5 Å²	89.5	42%	0.424	46%	0.459	S	S	.	.	H	α-helix	trans	-67.6	-42.3	177.4	-72.8	-62.3	165.1	0	0	112.5	Y981 H982 E983 N987 A988 Q989	Y981-M985 HydrophobicContact CD2-CE 4.36Å; Y981-M985 HydrophobicContact CE1-CG 4.25Å; Y981-M985 HydrophobicContact CE2-CE 3.46Å; Y981-M985 VanDerWaalsContact CE2-CE 3.46Å; Y981-M985 HydrophobicContact CE2-CG 4.14Å; Y981-M985 WeakPolarHBondContact O-CG 3.28Å; Y981-M985 PolarHBondContact O-N 3.04Å; H982-M985 PolarHBondContact O-N 3.13Å; E983-M985 VanDerWaalsContact C-N 3.31Å; E983-M985 PolarHBondContact O-N 3.46Å; M985-N987 PolarHBondContact O-N 2.96Å; M985-A988 PolarHBondContact O-N 3.46Å; M985-Q989 WeakPolarHBondContact O-CG 3.33Å; M985-Q989 PolarHBondContact O-N 3.18Å
986	K	72.2	Confident	67.1	Low	116 Å²	116	99.6 Å²	99.6	50%	0.504	50%	0.503	S	S	.	.	H	α-helix	trans	-63.4	-38.8	174.4	-78.9	173.6	-178.4	168.9	0	112.5	H982 E983 Q989 R990	H982-K986 WeakPolarHBondContact O-CB 3.33Å; H982-K986 VanDerWaalsContact O-CG 3.3Å; H982-K986 WeakPolarHBondContact O-CG 3.43Å; H982-K986 PolarHBondContact O-N 3.3Å; E983-K986 PolarHBondContact O-N 3.25Å; K986-Q989 PolarHBondContact O-N 3.23Å; K986-R990 WeakPolarHBondContact O-CB 3.33Å; K986-R990 WeakPolarHBondContact O-CG 3.39Å; K986-R990 PolarHBondContact O-N 3.45Å
987	N	67.7	Low	64.7	Low	102 Å²	102	102.2 Å²	102.2	55%	0.545	53%	0.525	S	S	.	.	H	α-helix	trans	-69.8	-38.5	175.9	-74.7	-21.6	0	0	0	111.6	E983 Q984 M985 Q989 R990 G991	E983-N987 VanDerWaalsContact O-CB 3.31Å; E983-N987 WeakPolarHBondContact O-CB 3.42Å; E983-N987 VanDerWaalsContact O-CG 3.28Å; E983-N987 PolarHBondContact O-N 3.38Å; E983-N987 PolarHBondContact O-ND2 3.4Å; Q984-N987 PolarHBondContact O-N 3.04Å; M985-N987 PolarHBondContact O-N 2.96Å; N987-Q989 VanDerWaalsContact C-N 3.32Å; N987-Q989 PolarHBondContact O-N 3.09Å; N987-R990 PolarHBondContact O-N 3.47Å; N987-G991 PolarHBondContact O-N 3.11Å; N987-G991 VanDerWaalsContact O-N 3.08Å
988	A	61.9	Low	62.6	Low	57 Å²	57	105.1 Å²	105.1	47%	0.471	55%	0.547	S	S	.	.	H	α-helix	trans	-63.9	-35.1	173	0	0	0	0	0	112.5	Q984 M985	Q984-A988 WeakPolarHBondContact O-CB 3.26Å; Q984-A988 PolarHBondContact O-N 3.44Å; M985-A988 PolarHBondContact O-N 3.46Å
989	Q	58.3	Low	60.6	Low	143 Å²	143	113.9 Å²	113.9	67%	0.668	59%	0.588	S	S	*	*	H	α-helix	trans	-75	-41.9	174.6	-75	-177.2	-12.8	0	0	112.9	M985 K986 N987 G991 K992	M985-Q989 WeakPolarHBondContact O-CG 3.33Å; M985-Q989 PolarHBondContact O-N 3.18Å; K986-Q989 PolarHBondContact O-N 3.23Å; N987-Q989 VanDerWaalsContact C-N 3.32Å; N987-Q989 PolarHBondContact O-N 3.09Å; Q989-G991 VanDerWaalsContact C-N 3.27Å; Q989-G991 PolarHBondContact O-N 2.77Å; Q989-K992 PolarHBondContact O-N 2.84Å; Q989-K992 VanDerWaalsContact O-N 3.15Å
990	R	53.9	Low	58.6	Low	208 Å²	208	116 Å²	116	79%	0.785	61%	0.612	S	S	*	*	H	α-helix	trans	-64.3	-29	176.3	-79.8	179.3	173.4	179.2	-1.6	113.2	K986 N987 K992	K986-R990 WeakPolarHBondContact O-CB 3.33Å; K986-R990 WeakPolarHBondContact O-CG 3.39Å; K986-R990 PolarHBondContact O-N 3.45Å; N987-R990 PolarHBondContact O-N 3.47Å; R990-K992 PolarHBondContact O-N 3.18Å
991	G	50.6	Low	56.8	Low	67 Å²	67	116.4 Å²	116.4	69%	0.691	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-12.9	174.1	0	0	0	0	0	115.2	N987 Q989	N987-G991 PolarHBondContact O-N 3.11Å; N987-G991 VanDerWaalsContact O-N 3.08Å; Q989-G991 VanDerWaalsContact C-N 3.27Å; Q989-G991 PolarHBondContact O-N 2.77Å
992	K	50.1	Low	55	Low	178 Å²	178	117.4 Å²	117.4	77%	0.774	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.2	3.8	-172.8	-76.9	-176.7	176.4	177.6	0	115.9	Q989 R990 K994	Q989-K992 PolarHBondContact O-N 2.84Å; Q989-K992 VanDerWaalsContact O-N 3.15Å; R990-K992 PolarHBondContact O-N 3.18Å; K992-K994 PolarHBondContact O-N 2.78Å
993	V	47.8	Very low	53.1	Low	128 Å²	128	117.4 Å²	117.4	78%	0.776	65%	0.646	S	S	*	*	S	Bend	trans	-90	13.6	-176.9	-174	0	0	0	0	114.5
994	K	44.6	Very low	51.2	Low	216 Å²	216	116.6 Å²	116.6	94%	0.939	65%	0.645	S	S	*	*	S	Bend	trans	-129.9	77.3	166.7	-83.4	-173.5	176.7	177.7	0	111.4	K992	K992-K994 PolarHBondContact O-N 2.78Å
995	G	38.7	Very low	49.4	Very low	64 Å²	64	115.2 Å²	115.2	66%	0.66	65%	0.647	S	S	*	*			trans	-177.6	94.7	169.8	0	0	0	0	0	111.3	S997	G995-S997 PolarHBondContact O-N 3.24Å
996	K	46.7	Very low	48	Very low	212 Å²	212	112.7 Å²	112.7	92%	0.922	64%	0.644	S	S	*	*			trans	-66.3	101.7	170.8	-79.8	-177.6	173.8	-178.4	0	109.4
997	S	38.4	Very low	46.2	Very low	111 Å²	111	112 Å²	112	78%	0.776	65%	0.645	S	S	*	*			trans	164.5	94.3	144.2	44.2	0	0	0	0	109.6	G995	G995-S997 PolarHBondContact O-N 3.24Å
998	S	39.7	Very low	44.8	Very low	75 Å²	75	112 Å²	112	52%	0.524	64%	0.644	S	S	.	*			trans	165.5	66.3	140	60.2	0	0	0	0	111.2	A1000 T1001 S1002	S998-A1000 PolarHBondContact O-N 3.34Å; S998-T1001 VanDerWaalsContact CB-OG1 3.24Å; S998-T1001 WeakPolarHBondContact CB-OG1 3.09Å; S998-T1001 PolarHBondContact OG-OG1 2.71Å; S998-S1002 PolarHBondContact O-N 3.24Å
999	E	43.6	Very low	44	Very low	185 Å²	185	115.8 Å²	115.8	86%	0.864	65%	0.652	S	S	*	*	H	α-helix	trans	-65.9	-15.3	174.8	-80.5	170.4	153.7	0	0	113.1
1000	A	41.6	Very low	43	Very low	85 Å²	85	115 Å²	115	70%	0.702	65%	0.648	S	S	*	*	H	α-helix	trans	-87.4	-34.6	-179.8	0	0	0	0	0	114.6	S998	S998-A1000 PolarHBondContact O-N 3.34Å
1001	T	43.8	Very low	42.2	Very low	94 Å²	94	111.8 Å²	111.8	58%	0.577	64%	0.642	S	S	*	*	H	α-helix	trans	-85.7	-19.2	176	36	0	0	0	0	113.1	S998 A1005	S998-T1001 VanDerWaalsContact CB-OG1 3.24Å; S998-T1001 WeakPolarHBondContact CB-OG1 3.09Å; S998-T1001 PolarHBondContact OG-OG1 2.71Å; T1001-A1005 VanDerWaalsContact O-CB 3.3Å; T1001-A1005 WeakPolarHBondContact O-CB 3.42Å; T1001-A1005 PolarHBondContact O-N 2.74Å
1002	S	45.5	Very low	41.7	Very low	84 Å²	84	113.4 Å²	113.4	59%	0.587	64%	0.639	S	S	*	*	H	α-helix	trans	-75	-30.6	172.4	-169	0	0	0	0	112.9	S998 G1006	S998-S1002 PolarHBondContact O-N 3.24Å; S1002-G1006 PolarHBondContact O-N 2.81Å; S1002-G1006 VanDerWaalsContact O-N 3.12Å
1003	A	40.4	Very low	41.3	Very low	55 Å²	55	108.6 Å²	108.6	46%	0.455	62%	0.621	S	S	.	*	H	α-helix	trans	-74.8	-36.1	174.6	0	0	0	0	0	111.8	L1007	A1003-L1007 WeakPolarHBondContact O-CB 3.37Å; A1003-L1007 WeakPolarHBondContact O-CD1 3.43Å; A1003-L1007 VanDerWaalsContact O-CG 3.31Å; A1003-L1007 WeakPolarHBondContact O-CG 3.48Å; A1003-L1007 PolarHBondContact O-N 2.87Å
1004	L	37.4	Very low	41.1	Very low	106 Å²	106	106.5 Å²	106.5	56%	0.555	61%	0.612	S	S	*	*	H	α-helix	trans	-77.4	-33.6	178.8	-153.3	80.4	0	0	0	113	L1007 L1008	L1004-L1007 PolarHBondContact O-N 2.92Å; L1004-L1008 HydrophobicContact CD2-CD1 4.27Å; L1004-L1008 HydrophobicContact CG-CD1 4.1Å; L1004-L1008 WeakPolarHBondContact O-CB 3.29Å; L1004-L1008 PolarHBondContact O-N 3.47Å
1005	A	41.3	Very low	41	Very low	47 Å²	47	102 Å²	102	39%	0.388	60%	0.603	S	S	.	*	H	α-helix	trans	-71	-34	170.4	0	0	0	0	0	111.9	T1001 E1009	T1001-A1005 VanDerWaalsContact O-CB 3.3Å; T1001-A1005 WeakPolarHBondContact O-CB 3.42Å; T1001-A1005 PolarHBondContact O-N 2.74Å; A1005-E1009 VanDerWaalsContact O-CB 3.32Å; A1005-E1009 WeakPolarHBondContact O-CB 3.4Å; A1005-E1009 WeakPolarHBondContact O-CG 3.36Å; A1005-E1009 PolarHBondContact O-N 3.15Å; A1005-E1009 VanDerWaalsContact O-N 3.1Å
1006	G	43.6	Very low	41.4	Very low	34 Å²	34	101.5 Å²	101.5	35%	0.351	59%	0.587	S	S	.	*	H	α-helix	trans	-62.6	-41.3	169.3	0	0	0	0	0	112.8	S1002 E1010	S1002-G1006 PolarHBondContact O-N 2.81Å; S1002-G1006 VanDerWaalsContact O-N 3.12Å; G1006-E1010 WeakPolarHBondContact O-CB 3.46Å; G1006-E1010 VanDerWaalsContact O-CG 3.27Å; G1006-E1010 WeakPolarHBondContact O-CG 3.41Å; G1006-E1010 PolarHBondContact O-N 3.4Å; G1006-E1010 VanDerWaalsContact O-N 3.09Å
1007	L	34	Very low	41.5	Very low	101 Å²	101	94.8 Å²	94.8	53%	0.529	56%	0.561	S	S	.	*	H	α-helix	trans	-77.3	-32.8	-179.6	-76.8	161.1	0	0	0	114.2	A1003 L1004 E1011	A1003-L1007 WeakPolarHBondContact O-CB 3.37Å; A1003-L1007 WeakPolarHBondContact O-CD1 3.43Å; A1003-L1007 VanDerWaalsContact O-CG 3.31Å; A1003-L1007 WeakPolarHBondContact O-CG 3.48Å; A1003-L1007 PolarHBondContact O-N 2.87Å; L1004-L1007 PolarHBondContact O-N 2.92Å; L1007-E1011 PolarHBondContact O-N 3.11Å
1008	L	39	Very low	42.4	Very low	103 Å²	103	99.5 Å²	99.5	54%	0.539	56%	0.562	S	S	.	*	H	α-helix	trans	-82.3	-22.4	177.4	-78.4	161.7	0	0	0	113.2	L1004	L1004-L1008 HydrophobicContact CD2-CD1 4.27Å; L1004-L1008 HydrophobicContact CG-CD1 4.1Å; L1004-L1008 WeakPolarHBondContact O-CB 3.29Å; L1004-L1008 PolarHBondContact O-N 3.47Å
1009	E	44.9	Very low	43.5	Very low	136 Å²	136	98.2 Å²	98.2	64%	0.636	55%	0.547	S	S	*	.	H	α-helix	trans	-84	-25.6	169	-70.4	177	172.1	0	0	111.7	A1005 L1013	A1005-E1009 VanDerWaalsContact O-CB 3.32Å; A1005-E1009 WeakPolarHBondContact O-CB 3.4Å; A1005-E1009 WeakPolarHBondContact O-CG 3.36Å; A1005-E1009 PolarHBondContact O-N 3.15Å; A1005-E1009 VanDerWaalsContact O-N 3.1Å; E1009-L1013 VanDerWaalsContact O-CD1 3.27Å; E1009-L1013 WeakPolarHBondContact O-CD1 3.4Å; E1009-L1013 VanDerWaalsContact O-CG 3.28Å; E1009-L1013 WeakPolarHBondContact O-CG 3.43Å; E1009-L1013 PolarHBondContact O-N 3.06Å
1010	E	38.3	Very low	44.4	Very low	125 Å²	125	90.4 Å²	90.4	58%	0.584	51%	0.512	S	S	*	.	H	α-helix	trans	-65.3	-30.5	169.7	-88.2	176.9	165.2	0	0	113.4	G1006 S1014	G1006-E1010 WeakPolarHBondContact O-CB 3.46Å; G1006-E1010 VanDerWaalsContact O-CG 3.27Å; G1006-E1010 WeakPolarHBondContact O-CG 3.41Å; G1006-E1010 PolarHBondContact O-N 3.4Å; G1006-E1010 VanDerWaalsContact O-N 3.09Å; E1010-S1014 PolarHBondContact O-N 3.06Å
1011	E	36.4	Very low	45.3	Very low	141 Å²	141	92.3 Å²	92.3	66%	0.659	51%	0.51	S	S	*	.	H	α-helix	trans	-75.1	-28.9	178.4	-80	-173.2	159.3	0	0	113.7	L1007 S1014	L1007-E1011 PolarHBondContact O-N 3.11Å; E1011-S1014 PolarHBondContact O-OG 3.33Å
1012	V	40	Very low	46.7	Very low	101 Å²	101	91.1 Å²	91.1	61%	0.612	50%	0.5	S	S	*	.	H	α-helix	trans	-81	-23.7	175	-176.8	0	0	0	0	111.7	T1016	V1012-T1016 PolarHBondContact O-OG1 3.22Å
1013	L	42.2	Very low	48.3	Very low	78 Å²	78	87.3 Å²	87.3	41%	0.408	47%	0.474	S	S	.	.	H	α-helix	trans	-71.8	-28.7	173.7	-74.2	162.3	0	0	0	112.5	E1009 T1015 T1016 D1017	E1009-L1013 VanDerWaalsContact O-CD1 3.27Å; E1009-L1013 WeakPolarHBondContact O-CD1 3.4Å; E1009-L1013 VanDerWaalsContact O-CG 3.28Å; E1009-L1013 WeakPolarHBondContact O-CG 3.43Å; E1009-L1013 PolarHBondContact O-N 3.06Å; L1013-T1015 PolarHBondContact O-N 2.85Å; L1013-T1016 PolarHBondContact O-N 3.02Å; L1013-T1016 VanDerWaalsContact O-N 3.07Å; L1013-D1017 PolarHBondContact O-N 3.1Å
1014	S	42.3	Very low	50.4	Low	83 Å²	83	85.5 Å²	85.5	58%	0.58	46%	0.455	S	S	*	.	H	α-helix	trans	-62.5	-16.6	-176.1	73.4	0	0	0	0	116.5	E1010 E1011	E1010-S1014 PolarHBondContact O-N 3.06Å; E1011-S1014 PolarHBondContact O-OG 3.33Å
1015	T	42.6	Very low	52.7	Low	122 Å²	122	84 Å²	84	75%	0.748	44%	0.443	S	S	*	.	H	α-helix	trans	-114.9	-13	173.3	54.5	0	0	0	0	113.8	L1013	L1013-T1015 PolarHBondContact O-N 2.85Å
1016	T	48.6	Very low	54.8	Low	53 Å²	53	82 Å²	82	33%	0.325	43%	0.426	S	S	.	.	H	α-helix	trans	-104	-6.4	-178.7	53.7	0	0	0	0	114	V1012 L1013 R1018 F1019	V1012-T1016 PolarHBondContact O-OG1 3.22Å; L1013-T1016 PolarHBondContact O-N 3.02Å; L1013-T1016 VanDerWaalsContact O-N 3.07Å; T1016-R1018 PolarHBondContact O-N 3.23Å; T1016-R1018 VanDerWaalsContact O-N 3.1Å; T1016-F1019 PolarHBondContact O-N 3.48Å
1017	D	48.9	Very low	56.9	Low	72 Å²	72	80.3 Å²	80.3	39%	0.385	41%	0.409	S	S	.	.	H	α-helix	trans	-51.3	-33.6	177.1	-85.5	-18.1	0	0	0	113.8	L1013 F1019 T1020 D1021	L1013-D1017 PolarHBondContact O-N 3.1Å; D1017-F1019 PolarHBondContact O-N 3.2Å; D1017-T1020 PolarHBondContact O-OG1 3.41Å; D1017-D1021 VanDerWaalsContact O-CB 3.24Å; D1017-D1021 WeakPolarHBondContact O-CB 3.15Å; D1017-D1021 PolarHBondContact O-N 3.11Å
1018	R	56.7	Low	59.5	Low	210 Å²	210	76.9 Å²	76.9	79%	0.792	39%	0.39	S	S	*	.	H	α-helix	trans	-66.8	-32	-177.3	-74	-173	-179.6	-177	0.9	114	T1016 N1022	T1016-R1018 PolarHBondContact O-N 3.23Å; T1016-R1018 VanDerWaalsContact O-N 3.1Å; R1018-N1022 VanDerWaalsContact O-CB 3.23Å; R1018-N1022 WeakPolarHBondContact O-CB 3.49Å; R1018-N1022 PolarHBondContact O-N 2.97Å; R1018-N1022 PolarHBondContact O-ND2 3.3Å
1019	F	62.8	Low	61.9	Low	48 Å²	48	72 Å²	72	21%	0.211	36%	0.364	C	S	.	.	H	α-helix	trans	-82.8	-40.7	-175.8	177.1	-112.3	0	0	0	111.9	F951 I978 T1016 D1017 A1023	F951-F1019 HydrophobicContact CB-CE2 3.7Å; F951-F1019 HydrophobicContact CB-CZ 3.86Å; F951-F1019 HydrophobicContact CD1-CD2 4.46Å; F951-F1019 AromaticContact CD1-CE2 3.85Å; F951-F1019 HydrophobicContact CD1-CE2 3.85Å; F951-F1019 HydrophobicContact CD2-CD2 4.38Å; F951-F1019 AromaticContact CD2-CE2 3.49Å; F951-F1019 HydrophobicContact CD2-CE2 3.49Å; F951-F1019 VanDerWaalsContact CD2-CE2 3.49Å; F951-F1019 HydrophobicContact CD2-CZ 4.33Å; F951-F1019 HydrophobicContact CE1-CE2 4.3Å; F951-F1019 HydrophobicContact CE2-CD2 4.41Å; F951-F1019 AromaticContact CE2-CE2 3.94Å; F951-F1019 HydrophobicContact CE2-CE2 3.94Å; F951-F1019 HydrophobicContact CG-CD2 4.37Å; F951-F1019 AromaticContact CG-CE2 3.41Å; F951-F1019 HydrophobicContact CG-CE2 3.41Å; F951-F1019 VanDerWaalsContact CG-CE2 3.41Å; F951-F1019 HydrophobicContact CG-CZ 4.11Å; F951-F1019 HydrophobicContact CZ-CE2 4.33Å; I978-F1019 HydrophobicContact CD1-CD1 4.17Å; I978-F1019 HydrophobicContact CD1-CE1 3.52Å; I978-F1019 HydrophobicContact CD1-CE2 4.32Å; I978-F1019 HydrophobicContact CD1-CZ 3.61Å; I978-F1019 HydrophobicContact CG1-CE1 4.25Å; T1016-F1019 PolarHBondContact O-N 3.48Å; D1017-F1019 PolarHBondContact O-N 3.2Å; F1019-A1023 PolarHBondContact O-N 3.04Å
1020	T	61.4	Low	64	Low	21 Å²	21	66.1 Å²	66.1	13%	0.129	34%	0.336	C	S	.	.	H	α-helix	trans	-72.3	-38.1	178.5	45.4	0	0	0	0	112	F944 D1017	F944-T1020 HydrophobicContact CE2-CG2 4.34Å; D1017-T1020 PolarHBondContact O-OG1 3.41Å
1021	D	62	Low	66.5	Low	124 Å²	124	61 Å²	61	66%	0.663	31%	0.313	S	S	*	.	H	α-helix	trans	-80.7	-26.4	-180	-71.4	-15.6	0	0	0	113.6	D1017	D1017-D1021 VanDerWaalsContact O-CB 3.24Å; D1017-D1021 WeakPolarHBondContact O-CB 3.15Å; D1017-D1021 PolarHBondContact O-N 3.11Å
1022	N	71.6	Confident	69.1	Low	69 Å²	69	54.5 Å²	54.5	37%	0.369	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	21.5	178.2	-61.1	-65.7	0	0	0	113.6	R1018 W1024 R1025	R1018-N1022 VanDerWaalsContact O-CB 3.23Å; R1018-N1022 WeakPolarHBondContact O-CB 3.49Å; R1018-N1022 PolarHBondContact O-N 2.97Å; R1018-N1022 PolarHBondContact O-ND2 3.3Å; N1022-W1024 PolarHBondContact O-N 3.37Å; N1022-R1025 HydrophobicContact CB-CB 3.86Å; N1022-R1025 WeakPolarHBondContact O-CB 3.35Å; N1022-R1025 PolarHBondContact O-N 3.29Å
1023	A	79.4	Confident	71.4	Confident	4 Å²	4	50.2 Å²	50.2	3%	0.033	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-35.2	-177.6	0	0	0	0	0	113.3	A975 I978 F1019	A975-A1023 HydrophobicContact CB-CB 4.21Å; I978-A1023 HydrophobicContact CD1-CB 3.65Å; I978-A1023 HydrophobicContact CG2-CB 4.43Å; F1019-A1023 PolarHBondContact O-N 3.04Å
1024	W	85.9	Confident	73.7	Confident	17 Å²	17	47.5 Å²	47.5	6%	0.064	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-14.7	-179.4	-68.2	99.2	0	0	0	114.6	V972 A975 L976 E979 N1022 G1026 A1027 E1028 V1157 C1158 L1175 C1176	V972-W1024 HydrophobicContact CB-CZ3 4.4Å; V972-W1024 HydrophobicContact CG1-CH2 4.32Å; V972-W1024 HydrophobicContact CG1-CZ3 4.09Å; V972-W1024 HydrophobicContact CG2-CZ3 4.14Å; A975-W1024 HydrophobicContact CB-CD2 3.73Å; A975-W1024 HydrophobicContact CB-CE3 3.96Å; A975-W1024 HydrophobicContact CB-CG 4.28Å; A975-W1024 HydrophobicContact CB-CH2 4.02Å; A975-W1024 HydrophobicContact CB-CZ2 3.82Å; A975-W1024 HydrophobicContact CB-CZ3 4.1Å; L976-W1024 HydrophobicContact CD2-CH2 4.17Å; L976-W1024 HydrophobicContact CD2-CZ2 4.42Å; L976-W1024 HydrophobicContact CG-CH2 4.29Å; E979-W1024 HydrophobicContact CG-CZ2 4.47Å; N1022-W1024 PolarHBondContact O-N 3.37Å; W1024-G1026 VanDerWaalsContact C-N 3.3Å; W1024-G1026 PolarHBondContact O-N 3.03Å; W1024-A1027 HydrophobicContact CE3-CB 4.32Å; W1024-A1027 CarbonylContact O-C 3.53Å; W1024-A1027 WeakPolarHBondContact O-CA 3.09Å; W1024-A1027 WeakPolarHBondContact O-CB 3.34Å; W1024-A1027 PolarHBondContact O-N 2.9Å; W1024-E1028 VanDerWaalsContact C-OE1 3.27Å; W1024-E1028 VanDerWaalsContact CB-OE1 3.25Å; W1024-E1028 WeakPolarHBondContact CB-OE1 3.4Å; W1024-E1028 WeakPolarHBondContact O-CG 3.27Å; W1024-E1028 PolarHBondContact O-N 3.44Å; W1024-V1157 HydrophobicContact CZ2-CG1 4.18Å; W1024-C1158 HydrophobicContact CD2-CB 3.75Å; W1024-C1158 HydrophobicContact CE3-CB 3.99Å; W1024-C1158 HydrophobicContact CG-CB 4.29Å; W1024-C1158 HydrophobicContact CH2-CB 4.22Å; W1024-C1158 HydrophobicContact CZ2-CB 3.97Å; W1024-C1158 HydrophobicContact CZ3-CB 4.21Å; W1024-L1175 HydrophobicContact CE3-CD2 4.35Å; W1024-L1175 HydrophobicContact CE3-CG 4.42Å; W1024-C1176 HydrophobicContact CE3-CB 4.41Å; W1024-C1176 HydrophobicContact CH2-CB 3.36Å; W1024-C1176 HydrophobicContact CZ2-CB 4.29Å; W1024-C1176 HydrophobicContact CZ3-CB 3.42Å; W1024-C1176 VanDerWaalsContact CZ3-CB 3.42Å
1025	R	85.8	Confident	76	Confident	76 Å²	76	44.7 Å²	44.7	29%	0.287	22%	0.219	S	C	.	.	H	α-helix	trans	-57.8	-39.1	-172.9	-166.2	-173.6	170.9	82	11.7	112.9	N1022 E1028 A1029 D1057 Y1058 D1060 I1061	N1022-R1025 HydrophobicContact CB-CB 3.86Å; N1022-R1025 WeakPolarHBondContact O-CB 3.35Å; N1022-R1025 PolarHBondContact O-N 3.29Å; R1025-E1028 PolarHBondContact O-N 3.5Å; R1025-A1029 PolarHBondContact O-N 3.34Å; R1025-D1057 PolarHBondContact NH2-O 3.13Å; R1025-Y1058 HydrophobicContact CG-CD1 4.26Å; R1025-Y1058 HydrophobicContact CG-CE1 4.14Å; R1025-D1060 IonicContact CZ-OD1 3.39Å; R1025-D1060 IonicContact CZ-OD2 2.74Å; R1025-D1060 IonicContact NE-OD1 2.94Å; R1025-D1060 IonicContact NE-OD2 2.86Å; R1025-D1060 PolarHBondContact NE-OD2 3.35Å; R1025-D1060 IonicContact NH2-OD1 3.64Å; R1025-D1060 PolarHBondContact NH2-OD1 3.04Å; R1025-D1060 IonicContact NH2-OD2 3.68Å; R1025-D1060 PolarHBondContact NH2-OD2 3.35Å; R1025-I1061 HydrophobicContact CB-CD1 4.17Å; R1025-I1061 HydrophobicContact CG-CD1 3.7Å
1026	G	84.6	Confident	78.2	Confident	3 Å²	3	38.9 Å²	38.9	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-67.2	-37.6	174.7	0	0	0	0	0	113.6	W1024	W1024-G1026 VanDerWaalsContact C-N 3.3Å; W1024-G1026 PolarHBondContact O-N 3.03Å
1027	A	88	Confident	80.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-70.4	-35.9	174.6	0	0	0	0	0	111.7	V972 W1024 H1031 L1175	V972-A1027 HydrophobicContact CG2-CB 3.8Å; W1024-A1027 HydrophobicContact CE3-CB 4.32Å; W1024-A1027 CarbonylContact O-C 3.53Å; W1024-A1027 WeakPolarHBondContact O-CA 3.09Å; W1024-A1027 WeakPolarHBondContact O-CB 3.34Å; W1024-A1027 PolarHBondContact O-N 2.9Å; A1027-H1031 WeakPolarHBondContact O-CB 3.46Å; A1027-H1031 PolarHBondContact O-N 2.95Å; A1027-L1175 HydrophobicContact CB-CD1 4.23Å
1028	E	88.2	Confident	82.1	Confident	29 Å²	29	42.6 Å²	42.6	14%	0.136	19%	0.189	C	C	.	.	H	α-helix	trans	-64.7	-49.7	177.3	-71.3	164.2	-130.9	0	0	112.3	W1024 R1025 Y1030 H1031 F1032 Y1058 H1160 L1175	W1024-E1028 VanDerWaalsContact C-OE1 3.27Å; W1024-E1028 VanDerWaalsContact CB-OE1 3.25Å; W1024-E1028 WeakPolarHBondContact CB-OE1 3.4Å; W1024-E1028 WeakPolarHBondContact O-CG 3.27Å; W1024-E1028 PolarHBondContact O-N 3.44Å; R1025-E1028 PolarHBondContact O-N 3.5Å; E1028-Y1030 PolarHBondContact O-N 3.35Å; E1028-H1031 WeakPolarHBondContact O-CB 3.16Å; E1028-H1031 PolarHBondContact O-N 3.21Å; E1028-H1031 VanDerWaalsContact O-N 3.07Å; E1028-F1032 HydrophobicContact CB-CD2 4.49Å; E1028-F1032 HydrophobicContact CB-CE2 4.37Å; E1028-F1032 VanDerWaalsContact O-CD2 3.23Å; E1028-F1032 WeakPolarHBondContact O-CD2 3.31Å; E1028-F1032 PolarHBondContact O-N 2.99Å; E1028-Y1058 HydrophobicContact CB-CE1 4Å; E1028-Y1058 PolarHBondContact OE2-OH 2.97Å; E1028-H1160 IonicContact OE1-CD2 3.57Å; E1028-H1160 IonicContact OE1-CE1 3.37Å; E1028-H1160 PolarHBondContact OE1-CE1 2.88Å; E1028-H1160 IonicContact OE1-NE2 3.49Å; E1028-H1160 PolarHBondContact OE1-NE2 3.19Å; E1028-H1160 IonicContact OE2-CD2 2.75Å; E1028-H1160 IonicContact OE2-NE2 3.33Å; E1028-H1160 PolarHBondContact OE2-NE2 2.74Å; E1028-L1175 HydrophobicContact CG-CD1 4.13Å; E1028-L1175 HydrophobicContact CG-CD2 3.71Å
1029	A	88.4	Confident	83.6	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-53.8	-54.6	-180	0	0	0	0	0	111.5	R1025 H1031 F1032 F1033 Y1058 I1061 I1062	R1025-A1029 PolarHBondContact O-N 3.34Å; A1029-H1031 VanDerWaalsContact C-N 3.29Å; A1029-H1031 PolarHBondContact O-N 3.41Å; A1029-F1032 PolarHBondContact O-N 2.91Å; A1029-F1033 WeakPolarHBondContact O-CB 3.28Å; A1029-F1033 PolarHBondContact O-N 2.91Å; A1029-Y1058 HydrophobicContact CB-CD1 3.61Å; A1029-Y1058 HydrophobicContact CB-CE1 4.37Å; A1029-Y1058 HydrophobicContact CB-CG 3.71Å; A1029-I1061 HydrophobicContact CB-CB 4.04Å; A1029-I1061 HydrophobicContact CB-CD1 4.27Å; A1029-I1061 HydrophobicContact CB-CG2 3.89Å; A1029-I1062 HydrophobicContact CB-CD1 3.99Å; A1029-I1062 HydrophobicContact CB-CG1 4.19Å; A1029-I1062 WeakPolarHBondContact O-CD1 3.41Å
1030	Y	90	Very high	84.8	Confident	12 Å²	12	32.8 Å²	32.8	5%	0.047	15%	0.154	C	C	.	.	H	α-helix	trans	-69.6	-26.7	179	-81.3	-76.8	0	0	0	112.8	A958 P964 V967 Y971 E1028 I1034 I1061 I1062	A958-Y1030 HydrophobicContact CB-CE2 4.19Å; A958-Y1030 WeakPolarHBondContact CB-OH 3.49Å; P964-Y1030 HydrophobicContact CB-CD1 4Å; V967-Y1030 HydrophobicContact CB-CD2 4.48Å; V967-Y1030 HydrophobicContact CB-CE2 4.44Å; V967-Y1030 HydrophobicContact CG1-CD2 3.7Å; V967-Y1030 HydrophobicContact CG1-CE1 4.31Å; V967-Y1030 HydrophobicContact CG1-CE2 3.46Å; V967-Y1030 VanDerWaalsContact CG1-CE2 3.46Å; V967-Y1030 HydrophobicContact CG1-CG 4.22Å; Y971-Y1030 HydrophobicContact CD2-CD2 4.39Å; Y971-Y1030 HydrophobicContact CE2-CD2 4.19Å; Y971-Y1030 HydrophobicContact CE2-CE2 4.13Å; E1028-Y1030 PolarHBondContact O-N 3.35Å; Y1030-I1034 WeakPolarHBondContact O-CB 3.34Å; Y1030-I1034 VanDerWaalsContact O-CD1 3.29Å; Y1030-I1034 WeakPolarHBondContact O-CD1 3.18Å; Y1030-I1034 WeakPolarHBondContact O-CG1 3.2Å; Y1030-I1034 PolarHBondContact O-N 3.07Å; Y1030-I1034 VanDerWaalsContact O-N 3.11Å; Y1030-I1061 HydrophobicContact CD2-CG2 4.42Å; Y1030-I1061 HydrophobicContact CE2-CG2 4.11Å; Y1030-I1062 HydrophobicContact CD1-CD1 4.3Å; Y1030-I1062 HydrophobicContact CE1-CD1 4.45Å; Y1030-I1062 HydrophobicContact CE1-CG1 4.31Å; Y1030-I1062 HydrophobicContact CE2-CG1 4.22Å; Y1030-I1062 HydrophobicContact CG-CD1 4.42Å
1031	H	91.1	Very high	86.1	Confident	18 Å²	18	41.4 Å²	41.4	8%	0.083	19%	0.185	C	C	.	.	H	α-helix	trans	-66.1	-50.8	173.9	178.3	48.5	0	0	0	111.9	K968 A1027 E1028 A1029 F1033 I1034 L1035 V1141 P1174 L1175	K968-H1031 HydrophobicContact CD-CB 4.22Å; K968-H1031 PolarHBondContact NZ-ND1 3.41Å; A1027-H1031 WeakPolarHBondContact O-CB 3.46Å; A1027-H1031 PolarHBondContact O-N 2.95Å; E1028-H1031 WeakPolarHBondContact O-CB 3.16Å; E1028-H1031 PolarHBondContact O-N 3.21Å; E1028-H1031 VanDerWaalsContact O-N 3.07Å; A1029-H1031 VanDerWaalsContact C-N 3.29Å; A1029-H1031 PolarHBondContact O-N 3.41Å; H1031-F1033 VanDerWaalsContact C-N 3.28Å; H1031-F1033 PolarHBondContact O-N 3.01Å; H1031-I1034 PolarHBondContact O-N 2.92Å; H1031-L1035 WeakPolarHBondContact O-CB 3.46Å; H1031-L1035 PolarHBondContact O-N 3.33Å; H1031-V1141 WeakPolarHBondContact NE2-CG1 3.16Å; H1031-V1141 PolarHBondContact NE2-O 2.94Å; H1031-V1141 VanDerWaalsContact NE2-O 3.1Å; H1031-P1174 PolarHBondContact CE1-O 2.81Å; H1031-L1175 HydrophobicContact CB-CD1 3.8Å
1032	F	89.8	Confident	87.3	Confident	4 Å²	4	41.7 Å²	41.7	2%	0.018	18%	0.183	C	C	.	.	H	α-helix	trans	-66.2	-32	177.7	-70.1	-58.7	0	0	0	112	E1028 A1029 L1035 A1036 T1051 H1054 L1055 Y1058 T1139 V1141	E1028-F1032 HydrophobicContact CB-CD2 4.49Å; E1028-F1032 HydrophobicContact CB-CE2 4.37Å; E1028-F1032 VanDerWaalsContact O-CD2 3.23Å; E1028-F1032 WeakPolarHBondContact O-CD2 3.31Å; E1028-F1032 PolarHBondContact O-N 2.99Å; A1029-F1032 PolarHBondContact O-N 2.91Å; F1032-L1035 HydrophobicContact CD1-CD2 4.28Å; F1032-L1035 PolarHBondContact O-N 3.31Å; F1032-A1036 WeakPolarHBondContact O-CB 3.2Å; F1032-A1036 PolarHBondContact O-N 3.47Å; F1032-T1051 HydrophobicContact CB-CG2 4.32Å; F1032-T1051 HydrophobicContact CD1-CG2 4.18Å; F1032-H1054 AromaticContact CD2-CD2 3.71Å; F1032-H1054 AromaticContact CD2-NE2 3.98Å; F1032-H1054 AromaticContact CE2-CD2 3.68Å; F1032-H1054 AromaticContact CE2-NE2 3.59Å; F1032-H1054 AromaticContact CZ-CD2 3.96Å; F1032-L1055 HydrophobicContact CB-CD2 3.65Å; F1032-L1055 HydrophobicContact CB-CG 4.38Å; F1032-Y1058 HydrophobicContact CD2-CE2 4.03Å; F1032-T1139 HydrophobicContact CE1-CG2 4.13Å; F1032-T1139 HydrophobicContact CZ-CG2 4.18Å; F1032-V1141 HydrophobicContact CZ-CG2 4.48Å
1033	F	90.1	Very high	87.7	Confident	12 Å²	12	40.8 Å²	40.8	5%	0.053	19%	0.19	C	C	.	.	H	α-helix	trans	-64.7	-46	176.5	-174.8	-106.6	0	0	0	111.5	P964 A1029 H1031 L1035 Q1037 L1055 I1062 E1066 L1070	P964-F1033 HydrophobicContact CG-CD1 4.45Å; P964-F1033 HydrophobicContact CG-CE1 4.33Å; A1029-F1033 WeakPolarHBondContact O-CB 3.28Å; A1029-F1033 PolarHBondContact O-N 2.91Å; H1031-F1033 VanDerWaalsContact C-N 3.28Å; H1031-F1033 PolarHBondContact O-N 3.01Å; F1033-L1035 VanDerWaalsContact C-N 3.34Å; F1033-Q1037 VanDerWaalsContact CZ-NE2 3.35Å; F1033-Q1037 WeakPolarHBondContact O-CG 3.32Å; F1033-Q1037 PolarHBondContact O-N 2.92Å; F1033-L1055 HydrophobicContact CB-CD1 4.44Å; F1033-L1055 HydrophobicContact CB-CD2 4.16Å; F1033-L1055 HydrophobicContact CD2-CD1 4.08Å; F1033-I1062 HydrophobicContact CB-CD1 3.62Å; F1033-I1062 HydrophobicContact CD2-CD1 4.13Å; F1033-I1062 HydrophobicContact CD2-CG2 4.39Å; F1033-I1062 HydrophobicContact CE2-CG2 4.37Å; F1033-I1062 HydrophobicContact CG-CD1 3.91Å; F1033-E1066 HydrophobicContact CE2-CB 4.13Å; F1033-E1066 HydrophobicContact CZ-CB 4.21Å; F1033-L1070 HydrophobicContact CD2-CD2 3.97Å; F1033-L1070 HydrophobicContact CE2-CD2 3.98Å
1034	I	90.4	Very high	88	Confident	21 Å²	21	47.4 Å²	47.4	11%	0.108	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-38.9	174.7	-65	163.9	0	0	0	110.8	P964 L965 Y1030 H1031 Q1037 R1038	P964-I1034 HydrophobicContact CB-CD1 3.76Å; P964-I1034 HydrophobicContact CB-CG1 3.68Å; L965-I1034 HydrophobicContact CB-CD1 4.5Å; Y1030-I1034 WeakPolarHBondContact O-CB 3.34Å; Y1030-I1034 VanDerWaalsContact O-CD1 3.29Å; Y1030-I1034 WeakPolarHBondContact O-CD1 3.18Å; Y1030-I1034 WeakPolarHBondContact O-CG1 3.2Å; Y1030-I1034 PolarHBondContact O-N 3.07Å; Y1030-I1034 VanDerWaalsContact O-N 3.11Å; H1031-I1034 PolarHBondContact O-N 2.92Å; I1034-Q1037 PolarHBondContact O-N 3.34Å; I1034-R1038 HydrophobicContact CG2-CG 4.48Å; I1034-R1038 WeakPolarHBondContact O-CG 3.47Å; I1034-R1038 PolarHBondContact O-N 2.86Å
1035	L	89.6	Confident	87.9	Confident	23 Å²	23	48.6 Å²	48.6	12%	0.12	22%	0.224	C	C	.	.	H	α-helix	trans	-65	-46.2	-179.2	-176.5	63.2	0	0	0	111.9	H1031 F1032 F1033 Q1037 R1038 Q1039 T1051 V1141	H1031-L1035 WeakPolarHBondContact O-CB 3.46Å; H1031-L1035 PolarHBondContact O-N 3.33Å; F1032-L1035 HydrophobicContact CD1-CD2 4.28Å; F1032-L1035 PolarHBondContact O-N 3.31Å; F1033-L1035 VanDerWaalsContact C-N 3.34Å; L1035-Q1037 VanDerWaalsContact C-N 3.32Å; L1035-Q1037 PolarHBondContact O-N 3.31Å; L1035-R1038 PolarHBondContact O-N 3.49Å; L1035-Q1039 HydrophobicContact CD1-CG 4.34Å; L1035-Q1039 HydrophobicContact CG-CG 4.46Å; L1035-Q1039 WeakPolarHBondContact O-CG 3.41Å; L1035-Q1039 PolarHBondContact O-N 3.49Å; L1035-T1051 HydrophobicContact CB-CG2 4.27Å; L1035-T1051 HydrophobicContact CD2-CG2 4.14Å; L1035-T1051 HydrophobicContact CG-CG2 4.23Å; L1035-V1141 WeakPolarHBondContact CD2-O 3.38Å
1036	A	89.4	Confident	87.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-42.1	177.7	0	0	0	0	0	111.9	F1032 L1040 T1051 A1052 L1055 L1070	F1032-A1036 WeakPolarHBondContact O-CB 3.2Å; F1032-A1036 PolarHBondContact O-N 3.47Å; A1036-L1040 WeakPolarHBondContact O-CB 3.37Å; A1036-L1040 PolarHBondContact O-N 3.28Å; A1036-L1040 VanDerWaalsContact O-N 3.07Å; A1036-T1051 HydrophobicContact CB-CG2 3.83Å; A1036-A1052 HydrophobicContact CB-CB 4.45Å; A1036-L1055 HydrophobicContact CB-CD1 4.25Å; A1036-L1070 HydrophobicContact CB-CD2 3.88Å
1037	Q	89.8	Confident	87.6	Confident	61 Å²	61	51.4 Å²	51.4	29%	0.285	25%	0.245	S	C	.	.	H	α-helix	trans	-62.1	-47	174.9	-70.9	178.1	-4.3	0	0	111.7	F1033 I1034 L1035 L1040 Y1041 L1070	F1033-Q1037 VanDerWaalsContact CZ-NE2 3.35Å; F1033-Q1037 WeakPolarHBondContact O-CG 3.32Å; F1033-Q1037 PolarHBondContact O-N 2.92Å; I1034-Q1037 PolarHBondContact O-N 3.34Å; L1035-Q1037 VanDerWaalsContact C-N 3.32Å; L1035-Q1037 PolarHBondContact O-N 3.31Å; Q1037-L1040 PolarHBondContact O-N 3.36Å; Q1037-Y1041 HydrophobicContact CB-CE2 4.41Å; Q1037-Y1041 WeakPolarHBondContact O-CD2 3.45Å; Q1037-Y1041 PolarHBondContact O-N 2.97Å; Q1037-L1070 HydrophobicContact CG-CD1 4.01Å; Q1037-L1070 HydrophobicContact CG-CD2 3.99Å
1038	R	89.5	Confident	87.5	Confident	142 Å²	142	51.4 Å²	51.4	54%	0.536	25%	0.245	S	C	.	.	H	α-helix	trans	-60	-48.4	178.8	-75.6	178.3	-179.4	-175.4	-1.8	112.2	I1034 L1035 L1040 Y1041 E1042	I1034-R1038 HydrophobicContact CG2-CG 4.48Å; I1034-R1038 WeakPolarHBondContact O-CG 3.47Å; I1034-R1038 PolarHBondContact O-N 2.86Å; L1035-R1038 PolarHBondContact O-N 3.49Å; R1038-L1040 VanDerWaalsContact C-N 3.28Å; R1038-L1040 PolarHBondContact O-N 3.46Å; R1038-Y1041 PolarHBondContact O-N 3.39Å; R1038-E1042 WeakPolarHBondContact O-CB 3.4Å; R1038-E1042 WeakPolarHBondContact O-CG 3.35Å; R1038-E1042 PolarHBondContact O-N 3.33Å
1039	Q	88.6	Confident	87.3	Confident	15 Å²	15	50.5 Å²	50.5	7%	0.07	24%	0.242	C	C	.	.	H	α-helix	trans	-59.4	-39.7	178.5	-70.8	171.9	-20.7	0	0	111.8	L1035 E1042 G1043 Y1044 T1047 A1048 T1051 T1143	L1035-Q1039 HydrophobicContact CD1-CG 4.34Å; L1035-Q1039 HydrophobicContact CG-CG 4.46Å; L1035-Q1039 WeakPolarHBondContact O-CG 3.41Å; L1035-Q1039 PolarHBondContact O-N 3.49Å; Q1039-E1042 PolarHBondContact O-N 2.92Å; Q1039-G1043 PolarHBondContact O-N 3.48Å; Q1039-Y1044 PolarHBondContact O-N 3.43Å; Q1039-T1047 PolarHBondContact OE1-O 2.73Å; Q1039-A1048 HydrophobicContact CB-CB 3.77Å; Q1039-T1051 PolarHBondContact OE1-OG1 2.88Å; Q1039-T1143 PolarHBondContact NE2-O 2.89Å
1040	L	87.6	Confident	87.1	Confident	38 Å²	38	54.8 Å²	54.8	20%	0.199	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-45.3	176.8	-175.1	65.1	0	0	0	111.8	A1036 Q1037 R1038 E1042 G1043 V1045 A1048 L1070 A1077	A1036-L1040 WeakPolarHBondContact O-CB 3.37Å; A1036-L1040 PolarHBondContact O-N 3.28Å; A1036-L1040 VanDerWaalsContact O-N 3.07Å; Q1037-L1040 PolarHBondContact O-N 3.36Å; R1038-L1040 VanDerWaalsContact C-N 3.28Å; R1038-L1040 PolarHBondContact O-N 3.46Å; L1040-E1042 VanDerWaalsContact C-N 3.33Å; L1040-E1042 PolarHBondContact O-N 2.85Å; L1040-G1043 PolarHBondContact O-N 2.99Å; L1040-V1045 HydrophobicContact CD1-CG1 4.45Å; L1040-A1048 HydrophobicContact CB-CB 4Å; L1040-A1048 HydrophobicContact CD1-CB 4.47Å; L1040-L1070 HydrophobicContact CD2-CD1 4.38Å; L1040-A1077 HydrophobicContact CD1-CB 3.94Å
1041	Y	88.2	Confident	86.9	Confident	201 Å²	201	54.2 Å²	54.2	79%	0.788	26%	0.258	S	S	*	.	H	α-helix	trans	-67.6	-31.5	178.4	-76.1	-61.7	0	0	0	113.3	Q1037 R1038 G1043	Q1037-Y1041 HydrophobicContact CB-CE2 4.41Å; Q1037-Y1041 WeakPolarHBondContact O-CD2 3.45Å; Q1037-Y1041 PolarHBondContact O-N 2.97Å; R1038-Y1041 PolarHBondContact O-N 3.39Å; Y1041-G1043 PolarHBondContact O-N 2.86Å
1042	E	87.2	Confident	86.6	Confident	130 Å²	130	53.3 Å²	53.3	61%	0.607	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-5.2	176.4	-71	172.9	-170.7	0	0	113.1	R1038 Q1039 L1040 Y1044	R1038-E1042 WeakPolarHBondContact O-CB 3.4Å; R1038-E1042 WeakPolarHBondContact O-CG 3.35Å; R1038-E1042 PolarHBondContact O-N 3.33Å; Q1039-E1042 PolarHBondContact O-N 2.92Å; L1040-E1042 VanDerWaalsContact C-N 3.33Å; L1040-E1042 PolarHBondContact O-N 2.85Å; E1042-Y1044 HydrophobicContact CB-CD2 3.75Å; E1042-Y1044 HydrophobicContact CB-CE2 3.89Å
1043	G	79.9	Confident	86.3	Confident	50 Å²	50	54.1 Å²	54.1	52%	0.515	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.3	3.9	176.5	0	0	0	0	0	114.9	Q1039 L1040 Y1041 V1045	Q1039-G1043 PolarHBondContact O-N 3.48Å; L1040-G1043 PolarHBondContact O-N 2.99Å; Y1041-G1043 PolarHBondContact O-N 2.86Å; G1043-V1045 VanDerWaalsContact C-N 3.25Å; G1043-V1045 PolarHBondContact O-N 3.03Å
1044	Y	86.3	Confident	86.1	Confident	143 Å²	143	55 Å²	55	56%	0.561	26%	0.263	S	S	*	.			trans	-81.9	68.5	175.3	-56.9	-69.7	0	0	0	111.1	Q1039 E1042 D1046 T1047 A1048	Q1039-Y1044 PolarHBondContact O-N 3.43Å; E1042-Y1044 HydrophobicContact CB-CD2 3.75Å; E1042-Y1044 HydrophobicContact CB-CE2 3.89Å; Y1044-D1046 VanDerWaalsContact C-N 3.33Å; Y1044-D1046 PolarHBondContact O-N 2.98Å; Y1044-T1047 WeakPolarHBondContact CB-OG1 3.49Å; Y1044-T1047 PolarHBondContact O-N 3.5Å; Y1044-T1047 PolarHBondContact O-OG1 3.46Å; Y1044-A1048 VanDerWaalsContact O-CB 3.3Å; Y1044-A1048 WeakPolarHBondContact O-CB 3.28Å; Y1044-A1048 PolarHBondContact O-N 3.23Å
1045	V	84	Confident	85.9	Confident	43 Å²	43	54 Å²	54	26%	0.261	26%	0.258	S	S	.	.	H	α-helix	trans	-62.4	-34.3	-170.9	-64	0	0	0	0	114.1	L1040 G1043 L1049 A1077	L1040-V1045 HydrophobicContact CD1-CG1 4.45Å; G1043-V1045 VanDerWaalsContact C-N 3.25Å; G1043-V1045 PolarHBondContact O-N 3.03Å; V1045-L1049 WeakPolarHBondContact O-CB 3.34Å; V1045-L1049 PolarHBondContact O-N 3.43Å; V1045-A1077 HydrophobicContact CB-CB 4.42Å; V1045-A1077 HydrophobicContact CG1-CB 3.92Å
1046	D	80.8	Confident	85.6	Confident	92 Å²	92	56.3 Å²	56.3	49%	0.492	27%	0.267	S	S	.	.	H	α-helix	trans	-75.8	-36.2	-178.6	-69.9	-30	0	0	0	112.6	Y1044 K1050	Y1044-D1046 VanDerWaalsContact C-N 3.33Å; Y1044-D1046 PolarHBondContact O-N 2.98Å; D1046-K1050 WeakPolarHBondContact O-CG 3.35Å; D1046-K1050 PolarHBondContact O-N 2.85Å
1047	T	82.4	Confident	85.3	Confident	45 Å²	45	59.2 Å²	59.2	28%	0.276	28%	0.282	S	S	.	.	H	α-helix	trans	-74.8	-39.4	174.9	57.2	0	0	0	0	110.7	Q1039 Y1044 L1049 K1050 T1051	Q1039-T1047 PolarHBondContact OE1-O 2.73Å; Y1044-T1047 WeakPolarHBondContact CB-OG1 3.49Å; Y1044-T1047 PolarHBondContact O-N 3.5Å; Y1044-T1047 PolarHBondContact O-OG1 3.46Å; T1047-L1049 VanDerWaalsContact C-N 3.27Å; T1047-L1049 PolarHBondContact O-N 3.3Å; T1047-K1050 PolarHBondContact O-N 3.18Å; T1047-K1050 VanDerWaalsContact O-N 3.12Å; T1047-T1051 PolarHBondContact O-N 2.96Å; T1047-T1051 PolarHBondContact O-OG1 2.86Å; T1047-T1051 VanDerWaalsContact O-OG1 3.04Å
1048	A	85.3	Confident	85.2	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-57.5	-40.2	172.7	0	0	0	0	0	112	Q1039 L1040 Y1044 A1052	Q1039-A1048 HydrophobicContact CB-CB 3.77Å; L1040-A1048 HydrophobicContact CB-CB 4Å; L1040-A1048 HydrophobicContact CD1-CB 4.47Å; Y1044-A1048 VanDerWaalsContact O-CB 3.3Å; Y1044-A1048 WeakPolarHBondContact O-CB 3.28Å; Y1044-A1048 PolarHBondContact O-N 3.23Å; A1048-A1052 WeakPolarHBondContact O-CB 3.19Å; A1048-A1052 PolarHBondContact O-N 3.21Å
1049	L	84.3	Confident	85	Confident	11 Å²	11	53.5 Å²	53.5	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-64.8	-43.6	174.6	179.2	60.5	0	0	0	112.1	V1045 T1047 A1052 L1053 L1071 C1074 A1075 S1078 A1080 T1083	V1045-L1049 WeakPolarHBondContact O-CB 3.34Å; V1045-L1049 PolarHBondContact O-N 3.43Å; T1047-L1049 VanDerWaalsContact C-N 3.27Å; T1047-L1049 PolarHBondContact O-N 3.3Å; L1049-A1052 PolarHBondContact O-N 3.42Å; L1049-L1053 HydrophobicContact CD1-CD1 4.47Å; L1049-L1053 HydrophobicContact CD1-CG 4.39Å; L1049-L1053 HydrophobicContact CG-CD1 4.26Å; L1049-L1053 WeakPolarHBondContact O-CG 3.37Å; L1049-L1053 PolarHBondContact O-N 2.94Å; L1049-L1071 HydrophobicContact CD1-CD1 3.8Å; L1049-C1074 HydrophobicContact CB-CB 4.36Å; L1049-C1074 HydrophobicContact CD1-CB 4.28Å; L1049-A1075 HydrophobicContact CD1-CB 3.85Å; L1049-S1078 VanDerWaalsContact CD2-OG 3.29Å; L1049-S1078 WeakPolarHBondContact CD2-OG 3.49Å; L1049-A1080 HydrophobicContact CD2-CB 3.83Å; L1049-T1083 HydrophobicContact CD1-CG2 4.35Å
1050	K	84.1	Confident	84.6	Confident	89 Å²	89	57.7 Å²	57.7	39%	0.387	28%	0.284	S	S	.	.	H	α-helix	trans	-61.8	-46	176.9	-71.3	174.5	-178.2	-177.5	0	111.7	D1046 T1047 A1052 L1053 H1054	D1046-K1050 WeakPolarHBondContact O-CG 3.35Å; D1046-K1050 PolarHBondContact O-N 2.85Å; T1047-K1050 PolarHBondContact O-N 3.18Å; T1047-K1050 VanDerWaalsContact O-N 3.12Å; K1050-A1052 PolarHBondContact O-N 2.94Å; K1050-L1053 WeakPolarHBondContact O-CB 3.27Å; K1050-L1053 PolarHBondContact O-N 2.92Å; K1050-H1054 PolarHBondContact O-N 3.21Å
1051	T	85.8	Confident	84.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.6	-41.8	176.3	-50.9	0	0	0	0	111.3	F1032 L1035 A1036 Q1039 T1047 L1053 H1054 L1055 T1143 G1144	F1032-T1051 HydrophobicContact CB-CG2 4.32Å; F1032-T1051 HydrophobicContact CD1-CG2 4.18Å; L1035-T1051 HydrophobicContact CB-CG2 4.27Å; L1035-T1051 HydrophobicContact CD2-CG2 4.14Å; L1035-T1051 HydrophobicContact CG-CG2 4.23Å; A1036-T1051 HydrophobicContact CB-CG2 3.83Å; Q1039-T1051 PolarHBondContact OE1-OG1 2.88Å; T1047-T1051 PolarHBondContact O-N 2.96Å; T1047-T1051 PolarHBondContact O-OG1 2.86Å; T1047-T1051 VanDerWaalsContact O-OG1 3.04Å; T1051-L1053 VanDerWaalsContact C-N 3.32Å; T1051-L1053 PolarHBondContact O-N 2.67Å; T1051-H1054 WeakPolarHBondContact O-CB 3.04Å; T1051-H1054 PolarHBondContact O-N 3.29Å; T1051-L1055 PolarHBondContact O-N 2.84Å; T1051-T1143 PolarHBondContact OG1-O 2.99Å; T1051-G1144 WeakPolarHBondContact OG1-CA 3.5Å
1052	A	85.9	Confident	84.4	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-66.7	-31	177	0	0	0	0	0	113	A1036 A1048 L1049 K1050 L1055 L1071 C1074	A1036-A1052 HydrophobicContact CB-CB 4.45Å; A1048-A1052 WeakPolarHBondContact O-CB 3.19Å; A1048-A1052 PolarHBondContact O-N 3.21Å; L1049-A1052 PolarHBondContact O-N 3.42Å; K1050-A1052 PolarHBondContact O-N 2.94Å; A1052-L1055 WeakPolarHBondContact O-CB 3.24Å; A1052-L1055 PolarHBondContact O-N 3.23Å; A1052-L1071 HydrophobicContact CB-CD1 3.91Å; A1052-C1074 HydrophobicContact CB-CB 4.27Å
1053	L	84.1	Confident	84.4	Confident	20 Å²	20	44.9 Å²	44.9	11%	0.105	24%	0.236	C	C	.	.	H	α-helix	trans	-66.9	-36.6	173.1	-77.9	167.6	0	0	0	112	L1049 K1050 T1051 L1055 K1056 L1071 T1083 L1126	L1049-L1053 HydrophobicContact CD1-CD1 4.47Å; L1049-L1053 HydrophobicContact CD1-CG 4.39Å; L1049-L1053 HydrophobicContact CG-CD1 4.26Å; L1049-L1053 WeakPolarHBondContact O-CG 3.37Å; L1049-L1053 PolarHBondContact O-N 2.94Å; K1050-L1053 WeakPolarHBondContact O-CB 3.27Å; K1050-L1053 PolarHBondContact O-N 2.92Å; T1051-L1053 VanDerWaalsContact C-N 3.32Å; T1051-L1053 PolarHBondContact O-N 2.67Å; L1053-L1055 VanDerWaalsContact C-N 3.26Å; L1053-L1055 PolarHBondContact O-N 3.26Å; L1053-K1056 WeakPolarHBondContact O-CB 3.3Å; L1053-K1056 WeakPolarHBondContact O-CG 3.43Å; L1053-K1056 PolarHBondContact O-N 2.87Å; L1053-L1071 HydrophobicContact CD2-CD1 3.78Å; L1053-L1071 HydrophobicContact CD2-CD2 4.28Å; L1053-L1071 HydrophobicContact CG-CD1 3.87Å; L1053-T1083 HydrophobicContact CD2-CG2 4.06Å; L1053-L1126 HydrophobicContact CB-CD2 4.31Å; L1053-L1126 HydrophobicContact CD1-CD2 3.92Å
1054	H	84.7	Confident	84.7	Confident	32 Å²	32	44.1 Å²	44.1	15%	0.148	22%	0.222	C	C	.	.	H	α-helix	trans	-66.1	-28.8	176.5	-173.2	47.7	0	0	0	112.7	F1032 K1050 T1051 K1056 D1057 Y1058 T1139	F1032-H1054 AromaticContact CD2-CD2 3.71Å; F1032-H1054 AromaticContact CD2-NE2 3.98Å; F1032-H1054 AromaticContact CE2-CD2 3.68Å; F1032-H1054 AromaticContact CE2-NE2 3.59Å; F1032-H1054 AromaticContact CZ-CD2 3.96Å; K1050-H1054 PolarHBondContact O-N 3.21Å; T1051-H1054 WeakPolarHBondContact O-CB 3.04Å; T1051-H1054 PolarHBondContact O-N 3.29Å; H1054-K1056 PolarHBondContact O-N 3.31Å; H1054-D1057 IonicContact CE1-OD2 3.16Å; H1054-D1057 IonicContact ND1-OD2 2.74Å; H1054-D1057 PolarHBondContact O-N 3.09Å; H1054-D1057 VanDerWaalsContact O-N 3.12Å; H1054-Y1058 AromaticContact CD2-CE2 3.98Å; H1054-Y1058 AromaticContact NE2-CE2 3.7Å; H1054-Y1058 PolarHBondContact NE2-OH 3.23Å; H1054-T1139 PolarHBondContact CE1-OG1 2.77Å; H1054-T1139 PolarHBondContact ND1-OG1 3.01Å; H1054-T1139 PolarHBondContact NE2-OG1 2.97Å
1055	L	86.1	Confident	84.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-60.8	-18.3	179	-71.9	171.4	0	0	0	114.5	F1032 F1033 A1036 T1051 A1052 L1053 D1057 Y1058 I1067 L1070	F1032-L1055 HydrophobicContact CB-CD2 3.65Å; F1032-L1055 HydrophobicContact CB-CG 4.38Å; F1033-L1055 HydrophobicContact CB-CD1 4.44Å; F1033-L1055 HydrophobicContact CB-CD2 4.16Å; F1033-L1055 HydrophobicContact CD2-CD1 4.08Å; A1036-L1055 HydrophobicContact CB-CD1 4.25Å; T1051-L1055 PolarHBondContact O-N 2.84Å; A1052-L1055 WeakPolarHBondContact O-CB 3.24Å; A1052-L1055 PolarHBondContact O-N 3.23Å; L1053-L1055 VanDerWaalsContact C-N 3.26Å; L1053-L1055 PolarHBondContact O-N 3.26Å; L1055-D1057 PolarHBondContact O-N 2.97Å; L1055-D1057 VanDerWaalsContact O-N 3.15Å; L1055-Y1058 PolarHBondContact O-N 3.49Å; L1055-I1067 HydrophobicContact CB-CG1 4.44Å; L1055-I1067 HydrophobicContact CB-CG2 3.77Å; L1055-I1067 WeakPolarHBondContact O-CD1 3.38Å; L1055-L1070 HydrophobicContact CD1-CD2 4.02Å
1056	K	84.1	Confident	85	Confident	71 Å²	71	40.9 Å²	40.9	31%	0.309	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-58	-25	174.2	-65.5	178.9	-177.6	175.9	0	113.2	L1053 H1054 Y1058 Y1068	L1053-K1056 WeakPolarHBondContact O-CB 3.3Å; L1053-K1056 WeakPolarHBondContact O-CG 3.43Å; L1053-K1056 PolarHBondContact O-N 2.87Å; H1054-K1056 PolarHBondContact O-N 3.31Å; K1056-Y1058 PolarHBondContact O-N 2.84Å; K1056-Y1068 HydrophobicContact CD-CE1 4.46Å; K1056-Y1068 HydrophobicContact CG-CE1 4.19Å
1057	D	83.3	Confident	85.4	Confident	61 Å²	61	36.5 Å²	36.5	33%	0.326	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-76.1	-5.8	179.2	-73.1	-18	0	0	0	113.7	R1025 H1054 L1055 K1136	R1025-D1057 PolarHBondContact NH2-O 3.13Å; H1054-D1057 IonicContact CE1-OD2 3.16Å; H1054-D1057 IonicContact ND1-OD2 2.74Å; H1054-D1057 PolarHBondContact O-N 3.09Å; H1054-D1057 VanDerWaalsContact O-N 3.12Å; L1055-D1057 PolarHBondContact O-N 2.97Å; L1055-D1057 VanDerWaalsContact O-N 3.15Å; D1057-K1136 IonicContact OD1-NZ 3.61Å; D1057-K1136 PolarHBondContact OD1-NZ 3.09Å; D1057-K1136 IonicContact OD2-NZ 3.05Å; D1057-K1136 PolarHBondContact OD2-NZ 3.25Å
1058	Y	87.2	Confident	85.7	Confident	13 Å²	13	35.2 Å²	35.2	5%	0.051	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-120.6	27.2	-174.9	-55.4	-84.2	0	0	0	113.6	R1025 E1028 A1029 F1032 H1054 L1055 K1056 D1060 I1061 I1062	R1025-Y1058 HydrophobicContact CG-CD1 4.26Å; R1025-Y1058 HydrophobicContact CG-CE1 4.14Å; E1028-Y1058 HydrophobicContact CB-CE1 4Å; E1028-Y1058 PolarHBondContact OE2-OH 2.97Å; A1029-Y1058 HydrophobicContact CB-CD1 3.61Å; A1029-Y1058 HydrophobicContact CB-CE1 4.37Å; A1029-Y1058 HydrophobicContact CB-CG 3.71Å; F1032-Y1058 HydrophobicContact CD2-CE2 4.03Å; H1054-Y1058 AromaticContact CD2-CE2 3.98Å; H1054-Y1058 AromaticContact NE2-CE2 3.7Å; H1054-Y1058 PolarHBondContact NE2-OH 3.23Å; L1055-Y1058 PolarHBondContact O-N 3.49Å; K1056-Y1058 PolarHBondContact O-N 2.84Å; Y1058-D1060 WeakPolarHBondContact CA-OD1 3.33Å; Y1058-D1060 PolarHBondContact O-N 3.01Å; Y1058-D1060 VanDerWaalsContact O-N 3.15Å; Y1058-I1061 PolarHBondContact O-N 2.75Å; Y1058-I1062 PolarHBondContact O-N 3.29Å
1059	E	84.6	Confident	85.9	Confident	69 Å²	69	36.6 Å²	36.6	32%	0.322	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-20.9	172.9	-73.8	-178.1	-170.2	0	0	113.1	I1061 P1064 I1067 Y1068	E1059-I1061 VanDerWaalsContact C-N 3.3Å; E1059-P1064 HydrophobicContact CB-CG 4.26Å; E1059-P1064 HydrophobicContact CG-CG 4.27Å; E1059-I1067 HydrophobicContact CG-CD1 4.22Å; E1059-Y1068 HydrophobicContact CG-CE2 4.41Å; E1059-Y1068 WeakPolarHBondContact OE1-CE2 3.27Å; E1059-Y1068 PolarHBondContact OE1-OH 2.78Å
1060	D	81.3	Confident	86.2	Confident	104 Å²	104	36.6 Å²	36.6	56%	0.556	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-16.1	176.1	59.1	-50.7	0	0	0	113.7	R1025 Y1058	R1025-D1060 IonicContact CZ-OD1 3.39Å; R1025-D1060 IonicContact CZ-OD2 2.74Å; R1025-D1060 IonicContact NE-OD1 2.94Å; R1025-D1060 IonicContact NE-OD2 2.86Å; R1025-D1060 PolarHBondContact NE-OD2 3.35Å; R1025-D1060 IonicContact NH2-OD1 3.64Å; R1025-D1060 PolarHBondContact NH2-OD1 3.04Å; R1025-D1060 IonicContact NH2-OD2 3.68Å; R1025-D1060 PolarHBondContact NH2-OD2 3.35Å; Y1058-D1060 WeakPolarHBondContact CA-OD1 3.33Å; Y1058-D1060 PolarHBondContact O-N 3.01Å; Y1058-D1060 VanDerWaalsContact O-N 3.15Å
1061	I	84.3	Confident	86.4	Confident	37 Å²	37	32.4 Å²	32.4	19%	0.19	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.1	-45.6	-173.1	-55.6	-174.3	0	0	0	111.6	R1025 A1029 Y1030 Y1058 E1059	R1025-I1061 HydrophobicContact CB-CD1 4.17Å; R1025-I1061 HydrophobicContact CG-CD1 3.7Å; A1029-I1061 HydrophobicContact CB-CB 4.04Å; A1029-I1061 HydrophobicContact CB-CD1 4.27Å; A1029-I1061 HydrophobicContact CB-CG2 3.89Å; Y1030-I1061 HydrophobicContact CD2-CG2 4.42Å; Y1030-I1061 HydrophobicContact CE2-CG2 4.11Å; Y1058-I1061 PolarHBondContact O-N 2.75Å; E1059-I1061 VanDerWaalsContact C-N 3.3Å
1062	I	86.3	Confident	86.4	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.172	C	C	.	.	S	Bend	trans	-105.1	133.9	178.3	-61.4	176.3	0	0	0	108.4	A1029 Y1030 F1033 Y1058 E1066 I1067	A1029-I1062 HydrophobicContact CB-CD1 3.99Å; A1029-I1062 HydrophobicContact CB-CG1 4.19Å; A1029-I1062 WeakPolarHBondContact O-CD1 3.41Å; Y1030-I1062 HydrophobicContact CD1-CD1 4.3Å; Y1030-I1062 HydrophobicContact CE1-CD1 4.45Å; Y1030-I1062 HydrophobicContact CE1-CG1 4.31Å; Y1030-I1062 HydrophobicContact CE2-CG1 4.22Å; Y1030-I1062 HydrophobicContact CG-CD1 4.42Å; F1033-I1062 HydrophobicContact CB-CD1 3.62Å; F1033-I1062 HydrophobicContact CD2-CD1 4.13Å; F1033-I1062 HydrophobicContact CD2-CG2 4.39Å; F1033-I1062 HydrophobicContact CE2-CG2 4.37Å; F1033-I1062 HydrophobicContact CG-CD1 3.91Å; Y1058-I1062 PolarHBondContact O-N 3.29Å; I1062-E1066 HydrophobicContact CG2-CB 4.13Å; I1062-I1067 HydrophobicContact CB-CD1 4.01Å; I1062-I1067 HydrophobicContact CB-CG1 4.08Å; I1062-I1067 HydrophobicContact CG2-CD1 4.27Å; I1062-I1067 HydrophobicContact CG2-CG1 3.81Å; I1062-I1067 WeakPolarHBondContact O-CD1 3.2Å
1063	P	87.4	Confident	86.6	Confident	62 Å²	62	37.9 Å²	37.9	40%	0.403	20%	0.199	S	C	.	.			trans	-52	130.3	179.4	-27.7	35	0	0	0	112	V1065 E1066 I1067	P1063-V1065 PolarHBondContact O-N 3.48Å; P1063-E1066 HydrophobicContact CB-CG 4.43Å; P1063-E1066 PolarHBondContact O-N 3.2Å; P1063-I1067 PolarHBondContact O-N 2.96Å
1064	P	86.8	Confident	86.7	Confident	33 Å²	33	37 Å²	37	21%	0.214	19%	0.194	C	C	.	.	H	α-helix	trans	-53.4	-33.7	-178.8	-30.4	35.2	0	0	0	113.6	E1059 E1066 I1067 Y1068 L1094	E1059-P1064 HydrophobicContact CB-CG 4.26Å; E1059-P1064 HydrophobicContact CG-CG 4.27Å; P1064-E1066 VanDerWaalsContact C-N 3.3Å; P1064-E1066 PolarHBondContact O-N 2.75Å; P1064-I1067 PolarHBondContact O-N 2.85Å; P1064-Y1068 HydrophobicContact CB-CD2 4.11Å; P1064-Y1068 HydrophobicContact CB-CE2 4.22Å; P1064-Y1068 WeakPolarHBondContact O-CB 3.16Å; P1064-Y1068 WeakPolarHBondContact O-CD2 3.49Å; P1064-Y1068 PolarHBondContact O-N 2.74Å; P1064-L1094 HydrophobicContact CB-CD1 3.98Å; P1064-L1094 HydrophobicContact CB-CD2 3.9Å
1065	V	87.9	Confident	86.7	Confident	31 Å²	31	35.4 Å²	35.4	19%	0.188	19%	0.187	C	C	.	.	H	α-helix	trans	-57.2	-42.3	176.8	-179.3	0	0	0	0	111.7	P1063 S1069 L1091 L1094 L1097	P1063-V1065 PolarHBondContact O-N 3.48Å; V1065-S1069 WeakPolarHBondContact O-CB 3.32Å; V1065-S1069 PolarHBondContact O-N 2.77Å; V1065-S1069 PolarHBondContact O-OG 3.4Å; V1065-L1091 HydrophobicContact CG1-CD2 4.41Å; V1065-L1094 HydrophobicContact CB-CD1 4.45Å; V1065-L1094 HydrophobicContact CG2-CD1 3.63Å; V1065-L1097 HydrophobicContact CG1-CD2 3.95Å; V1065-L1097 HydrophobicContact CG2-CD1 4.44Å; V1065-L1097 HydrophobicContact CG2-CD2 3.76Å; V1065-L1097 HydrophobicContact CG2-CG 4.03Å
1066	E	87.8	Confident	86.6	Confident	88 Å²	88	37.6 Å²	37.6	41%	0.411	20%	0.202	S	C	.	.	H	α-helix	trans	-71.5	-42.9	-179.7	-65.3	-174.9	-170	0	0	111.5	F1033 I1062 P1063 P1064 L1070	F1033-E1066 HydrophobicContact CE2-CB 4.13Å; F1033-E1066 HydrophobicContact CZ-CB 4.21Å; I1062-E1066 HydrophobicContact CG2-CB 4.13Å; P1063-E1066 HydrophobicContact CB-CG 4.43Å; P1063-E1066 PolarHBondContact O-N 3.2Å; P1064-E1066 VanDerWaalsContact C-N 3.3Å; P1064-E1066 PolarHBondContact O-N 2.75Å; E1066-L1070 WeakPolarHBondContact O-CB 3.3Å; E1066-L1070 PolarHBondContact O-N 2.89Å
1067	I	89.3	Confident	86.6	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60.5	-52.6	177.9	-64.4	166.2	0	0	0	110.2	L1055 E1059 I1062 P1063 P1064 L1070 L1071	L1055-I1067 HydrophobicContact CB-CG1 4.44Å; L1055-I1067 HydrophobicContact CB-CG2 3.77Å; L1055-I1067 WeakPolarHBondContact O-CD1 3.38Å; E1059-I1067 HydrophobicContact CG-CD1 4.22Å; I1062-I1067 HydrophobicContact CB-CD1 4.01Å; I1062-I1067 HydrophobicContact CB-CG1 4.08Å; I1062-I1067 HydrophobicContact CG2-CD1 4.27Å; I1062-I1067 HydrophobicContact CG2-CG1 3.81Å; I1062-I1067 WeakPolarHBondContact O-CD1 3.2Å; P1063-I1067 PolarHBondContact O-N 2.96Å; P1064-I1067 PolarHBondContact O-N 2.85Å; I1067-L1070 PolarHBondContact O-N 2.83Å; I1067-L1071 WeakPolarHBondContact O-CB 3.49Å; I1067-L1071 PolarHBondContact O-N 2.84Å
1068	Y	89.6	Confident	86.6	Confident	17 Å²	17	34.8 Å²	34.8	7%	0.067	20%	0.199	C	C	.	.	H	α-helix	trans	-75.1	-27.3	-174.9	-72.2	-71.4	0	0	0	113	K1056 E1059 P1064 L1071 A1072 A1087 K1090	K1056-Y1068 HydrophobicContact CD-CE1 4.46Å; K1056-Y1068 HydrophobicContact CG-CE1 4.19Å; E1059-Y1068 HydrophobicContact CG-CE2 4.41Å; E1059-Y1068 WeakPolarHBondContact OE1-CE2 3.27Å; E1059-Y1068 PolarHBondContact OE1-OH 2.78Å; P1064-Y1068 HydrophobicContact CB-CD2 4.11Å; P1064-Y1068 HydrophobicContact CB-CE2 4.22Å; P1064-Y1068 WeakPolarHBondContact O-CB 3.16Å; P1064-Y1068 WeakPolarHBondContact O-CD2 3.49Å; P1064-Y1068 PolarHBondContact O-N 2.74Å; Y1068-L1071 HydrophobicContact CD1-CD2 4.04Å; Y1068-L1071 HydrophobicContact CE1-CD2 4.27Å; Y1068-A1072 WeakPolarHBondContact O-CB 3.32Å; Y1068-A1072 PolarHBondContact O-N 2.91Å; Y1068-A1087 HydrophobicContact CD1-CB 4.46Å; Y1068-K1090 HydrophobicContact CD1-CB 4.04Å; Y1068-K1090 HydrophobicContact CD1-CG 3.97Å; Y1068-K1090 HydrophobicContact CD2-CG 3.78Å; Y1068-K1090 HydrophobicContact CE1-CB 4.1Å; Y1068-K1090 HydrophobicContact CE1-CG 3.72Å; Y1068-K1090 HydrophobicContact CE2-CD 4.44Å; Y1068-K1090 HydrophobicContact CE2-CG 3.57Å; Y1068-K1090 HydrophobicContact CG-CB 4.29Å; Y1068-K1090 HydrophobicContact CG-CG 4.02Å
1069	S	89.3	Confident	86.3	Confident	29 Å²	29	43.6 Å²	43.6	20%	0.203	23%	0.232	C	C	.	.	H	α-helix	trans	-66.5	-46.2	170	-63.2	0	0	0	0	111.2	V1065 L1071 A1072 L1073 Y1105	V1065-S1069 WeakPolarHBondContact O-CB 3.32Å; V1065-S1069 PolarHBondContact O-N 2.77Å; V1065-S1069 PolarHBondContact O-OG 3.4Å; S1069-L1071 VanDerWaalsContact C-N 3.32Å; S1069-L1071 PolarHBondContact O-N 2.85Å; S1069-A1072 PolarHBondContact O-N 3.32Å; S1069-L1073 WeakPolarHBondContact O-CG 3.5Å; S1069-L1073 PolarHBondContact O-N 3.33Å; S1069-Y1105 PolarHBondContact OG-OH 2.72Å
1070	L	89.6	Confident	86.2	Confident	12 Å²	12	40.8 Å²	40.8	6%	0.063	22%	0.221	C	C	.	.	H	α-helix	trans	-63.1	-40.5	175.6	-176.9	60.8	0	0	0	111.3	F1033 A1036 Q1037 L1040 L1055 E1066 I1067 L1073 C1074	F1033-L1070 HydrophobicContact CD2-CD2 3.97Å; F1033-L1070 HydrophobicContact CE2-CD2 3.98Å; A1036-L1070 HydrophobicContact CB-CD2 3.88Å; Q1037-L1070 HydrophobicContact CG-CD1 4.01Å; Q1037-L1070 HydrophobicContact CG-CD2 3.99Å; L1040-L1070 HydrophobicContact CD2-CD1 4.38Å; L1055-L1070 HydrophobicContact CD1-CD2 4.02Å; E1066-L1070 WeakPolarHBondContact O-CB 3.3Å; E1066-L1070 PolarHBondContact O-N 2.89Å; I1067-L1070 PolarHBondContact O-N 2.83Å; L1070-L1073 PolarHBondContact O-N 2.88Å; L1070-C1074 PolarHBondContact O-N 3Å; L1070-C1074 PolarHBondContact O-SG 2.98Å; L1070-C1074 VanDerWaalsContact O-SG 3.35Å
1071	L	88.6	Confident	86.2	Confident	1 Å²	1	37 Å²	37	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-63.3	-43.5	176.1	-178.5	63.7	0	0	0	112.2	L1049 A1052 L1053 I1067 Y1068 S1069 L1073 C1074 A1075 T1083 A1087	L1049-L1071 HydrophobicContact CD1-CD1 3.8Å; A1052-L1071 HydrophobicContact CB-CD1 3.91Å; L1053-L1071 HydrophobicContact CD2-CD1 3.78Å; L1053-L1071 HydrophobicContact CD2-CD2 4.28Å; L1053-L1071 HydrophobicContact CG-CD1 3.87Å; I1067-L1071 WeakPolarHBondContact O-CB 3.49Å; I1067-L1071 PolarHBondContact O-N 2.84Å; Y1068-L1071 HydrophobicContact CD1-CD2 4.04Å; Y1068-L1071 HydrophobicContact CE1-CD2 4.27Å; S1069-L1071 VanDerWaalsContact C-N 3.32Å; S1069-L1071 PolarHBondContact O-N 2.85Å; L1071-L1073 VanDerWaalsContact C-N 3.33Å; L1071-L1073 PolarHBondContact O-N 2.95Å; L1071-C1074 PolarHBondContact O-N 2.87Å; L1071-A1075 WeakPolarHBondContact O-CB 3.33Å; L1071-A1075 PolarHBondContact O-N 3.44Å; L1071-T1083 HydrophobicContact CD1-CG2 4.47Å; L1071-A1087 HydrophobicContact CD2-CB 4.16Å; L1071-A1087 HydrophobicContact CG-CB 4.23Å
1072	A	87	Confident	86.1	Confident	5 Å²	5	35.8 Å²	35.8	4%	0.041	20%	0.196	C	C	.	.	H	α-helix	trans	-62.1	-41.1	176.2	0	0	0	0	0	111.4	Y1068 S1069 A1075 C1076 C1084 A1087 F1088	Y1068-A1072 WeakPolarHBondContact O-CB 3.32Å; Y1068-A1072 PolarHBondContact O-N 2.91Å; S1069-A1072 PolarHBondContact O-N 3.32Å; A1072-A1075 PolarHBondContact O-N 2.96Å; A1072-C1076 VanDerWaalsContact O-CB 3.26Å; A1072-C1076 WeakPolarHBondContact O-CB 3.45Å; A1072-C1076 PolarHBondContact O-N 3.2Å; A1072-C1084 PolarHBondContact O-SG 2.57Å; A1072-A1087 HydrophobicContact CB-CB 4Å; A1072-F1088 HydrophobicContact CB-CD2 4.39Å; A1072-F1088 HydrophobicContact CB-CE2 4.07Å; A1072-F1088 HydrophobicContact CB-CZ 4.26Å
1073	L	88.5	Confident	85.9	Confident	110 Å²	110	36 Å²	36	58%	0.576	20%	0.197	S	C	*	.	H	α-helix	trans	-63.4	-50.4	175.5	-71.6	171.5	0	0	0	112.1	S1069 L1070 L1071 A1075 C1076 A1077	S1069-L1073 WeakPolarHBondContact O-CG 3.5Å; S1069-L1073 PolarHBondContact O-N 3.33Å; L1070-L1073 PolarHBondContact O-N 2.88Å; L1071-L1073 VanDerWaalsContact C-N 3.33Å; L1071-L1073 PolarHBondContact O-N 2.95Å; L1073-A1075 VanDerWaalsContact C-N 3.33Å; L1073-A1075 PolarHBondContact O-N 3.48Å; L1073-C1076 PolarHBondContact O-N 3.02Å; L1073-A1077 WeakPolarHBondContact O-CB 3.24Å; L1073-A1077 PolarHBondContact O-N 3.29Å
1074	C	87.4	Confident	85.7	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.7	-42.6	177.4	-69	0	0	0	0	111.7	L1049 A1052 L1070 L1071 A1077 S1078	L1049-C1074 HydrophobicContact CB-CB 4.36Å; L1049-C1074 HydrophobicContact CD1-CB 4.28Å; A1052-C1074 HydrophobicContact CB-CB 4.27Å; L1070-C1074 PolarHBondContact O-N 3Å; L1070-C1074 PolarHBondContact O-SG 2.98Å; L1070-C1074 VanDerWaalsContact O-SG 3.35Å; L1071-C1074 PolarHBondContact O-N 2.87Å; C1074-A1077 PolarHBondContact O-N 3.26Å; C1074-S1078 PolarHBondContact O-N 2.98Å
1075	A	85.1	Confident	85.6	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-68.2	-37.2	-180	0	0	0	0	0	112.3	L1049 L1071 A1072 L1073 R1079 A1080 T1083 C1084	L1049-A1075 HydrophobicContact CD1-CB 3.85Å; L1071-A1075 WeakPolarHBondContact O-CB 3.33Å; L1071-A1075 PolarHBondContact O-N 3.44Å; A1072-A1075 PolarHBondContact O-N 2.96Å; L1073-A1075 VanDerWaalsContact C-N 3.33Å; L1073-A1075 PolarHBondContact O-N 3.48Å; A1075-R1079 PolarHBondContact O-N 3.46Å; A1075-A1080 HydrophobicContact CB-CB 4.47Å; A1075-A1080 PolarHBondContact O-N 2.73Å; A1075-T1083 HydrophobicContact CB-CG2 4.24Å; A1075-C1084 HydrophobicContact CB-CB 3.75Å
1076	C	83.9	Confident	85.5	Confident	46 Å²	46	36.7 Å²	36.7	31%	0.311	19%	0.191	S	C	.	.	H	α-helix	trans	-64.6	-44.9	172.8	-168.2	0	0	0	0	111.2	A1072 L1073 S1078 R1079	A1072-C1076 VanDerWaalsContact O-CB 3.26Å; A1072-C1076 WeakPolarHBondContact O-CB 3.45Å; A1072-C1076 PolarHBondContact O-N 3.2Å; L1073-C1076 PolarHBondContact O-N 3.02Å; C1076-S1078 PolarHBondContact O-N 3.35Å; C1076-R1079 PolarHBondContact O-N 2.94Å; C1076-R1079 VanDerWaalsContact O-N 3.11Å
1077	A	84	Confident	85.3	Confident	50 Å²	50	32.6 Å²	32.6	41%	0.413	17%	0.173	S	C	.	.	H	α-helix	trans	-63.5	-38	178.8	0	0	0	0	0	112.9	L1040 V1045 L1073 C1074 R1079	L1040-A1077 HydrophobicContact CD1-CB 3.94Å; V1045-A1077 HydrophobicContact CB-CB 4.42Å; V1045-A1077 HydrophobicContact CG1-CB 3.92Å; L1073-A1077 WeakPolarHBondContact O-CB 3.24Å; L1073-A1077 PolarHBondContact O-N 3.29Å; C1074-A1077 PolarHBondContact O-N 3.26Å; A1077-R1079 VanDerWaalsContact C-N 3.25Å; A1077-R1079 PolarHBondContact O-N 3.04Å
1078	S	82.9	Confident	85.2	Confident	23 Å²	23	33.5 Å²	33.5	16%	0.161	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0.2	176.4	98.7	0	0	0	0	113.8	L1049 C1074 C1076 A1080	L1049-S1078 VanDerWaalsContact CD2-OG 3.29Å; L1049-S1078 WeakPolarHBondContact CD2-OG 3.49Å; C1074-S1078 PolarHBondContact O-N 2.98Å; C1076-S1078 PolarHBondContact O-N 3.35Å; S1078-A1080 PolarHBondContact O-N 3.36Å; S1078-A1080 WeakPolarHBondContact OG-CB 3.28Å; S1078-A1080 PolarHBondContact OG-N 3.04Å
1079	R	81.2	Confident	85	Confident	197 Å²	197	37.9 Å²	37.9	74%	0.743	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	25.2	-172.9	-53.4	179.8	177.9	-175.7	-1.1	114.3	A1075 C1076 A1077 F1081	A1075-R1079 PolarHBondContact O-N 3.46Å; C1076-R1079 PolarHBondContact O-N 2.94Å; C1076-R1079 VanDerWaalsContact O-N 3.11Å; A1077-R1079 VanDerWaalsContact C-N 3.25Å; A1077-R1079 PolarHBondContact O-N 3.04Å; R1079-F1081 VanDerWaalsContact C-N 3.32Å; R1079-F1081 HydrophobicContact CB-CD2 4.44Å; R1079-F1081 HydrophobicContact CB-CE2 3.84Å; R1079-F1081 HydrophobicContact CB-CZ 4.35Å; R1079-F1081 HydrophobicContact CG-CE2 4.35Å; R1079-F1081 WeakPolarHBondContact O-CD2 3.34Å; R1079-F1081 PolarHBondContact O-N 3.04Å
1080	A	82.4	Confident	84.9	Confident	10 Å²	10	40.2 Å²	40.2	8%	0.083	21%	0.207	C	C	.	.			trans	-85.9	69	171.1	0	0	0	0	0	110.6	L1049 A1075 S1078 G1082 T1083 C1084 D1120	L1049-A1080 HydrophobicContact CD2-CB 3.83Å; A1075-A1080 HydrophobicContact CB-CB 4.47Å; A1075-A1080 PolarHBondContact O-N 2.73Å; S1078-A1080 PolarHBondContact O-N 3.36Å; S1078-A1080 WeakPolarHBondContact OG-CB 3.28Å; S1078-A1080 PolarHBondContact OG-N 3.04Å; A1080-G1082 VanDerWaalsContact C-N 3.31Å; A1080-G1082 PolarHBondContact O-N 2.73Å; A1080-T1083 PolarHBondContact O-N 2.8Å; A1080-C1084 WeakPolarHBondContact O-CB 3.48Å; A1080-C1084 PolarHBondContact O-N 3.14Å; A1080-D1120 WeakPolarHBondContact CA-OD1 3.32Å
1081	F	81.8	Confident	84.7	Confident	25 Å²	25	39.7 Å²	39.7	11%	0.11	20%	0.204	C	C	.	.	H	α-helix	trans	-64.4	-26	-173.6	-66.9	-66.5	0	0	0	114.9	R1079 S1085 I1112 F1113 H1116 D1120	R1079-F1081 VanDerWaalsContact C-N 3.32Å; R1079-F1081 HydrophobicContact CB-CD2 4.44Å; R1079-F1081 HydrophobicContact CB-CE2 3.84Å; R1079-F1081 HydrophobicContact CB-CZ 4.35Å; R1079-F1081 HydrophobicContact CG-CE2 4.35Å; R1079-F1081 WeakPolarHBondContact O-CD2 3.34Å; R1079-F1081 PolarHBondContact O-N 3.04Å; F1081-S1085 WeakPolarHBondContact O-CB 3.32Å; F1081-S1085 PolarHBondContact O-N 3.47Å; F1081-I1112 HydrophobicContact CD1-CG2 4.22Å; F1081-I1112 HydrophobicContact CE1-CG2 4.18Å; F1081-F1113 HydrophobicContact CB-CE1 4.1Å; F1081-F1113 HydrophobicContact CD1-CE1 4.41Å; F1081-F1113 WeakPolarHBondContact O-CE1 3.47Å; F1081-H1116 HydrophobicContact CD1-CB 4.07Å; F1081-H1116 HydrophobicContact CD2-CB 4.09Å; F1081-H1116 HydrophobicContact CE1-CB 3.97Å; F1081-H1116 AromaticContact CE1-CD2 3.88Å; F1081-H1116 AromaticContact CE1-CG 3.9Å; F1081-H1116 HydrophobicContact CE2-CB 3.98Å; F1081-H1116 AromaticContact CE2-CG 3.89Å; F1081-H1116 HydrophobicContact CG-CB 4.14Å; F1081-H1116 HydrophobicContact CZ-CB 3.92Å; F1081-H1116 AromaticContact CZ-CD2 3.74Å; F1081-H1116 AromaticContact CZ-CG 3.55Å; F1081-H1116 AromaticContact CZ-ND1 3.89Å; F1081-D1120 PolarHBondContact N-OD1 3.11Å
1082	G	80.6	Confident	84.3	Confident	11 Å²	11	44.3 Å²	44.3	11%	0.113	22%	0.224	C	C	.	.	H	α-helix	trans	-70.6	-44.6	173.3	0	0	0	0	0	112.2	A1080 C1084 S1085 K1086 D1120	A1080-G1082 VanDerWaalsContact C-N 3.31Å; A1080-G1082 PolarHBondContact O-N 2.73Å; G1082-C1084 VanDerWaalsContact C-N 3.33Å; G1082-S1085 PolarHBondContact O-N 3.48Å; G1082-K1086 WeakPolarHBondContact O-CG 3.3Å; G1082-K1086 PolarHBondContact O-N 2.86Å; G1082-D1120 WeakPolarHBondContact CA-OD1 3.42Å; G1082-D1120 WeakPolarHBondContact CA-OD2 3.2Å; G1082-D1120 PolarHBondContact N-OD1 3.18Å
1083	T	82.7	Confident	84.2	Confident	5 Å²	5	47.5 Å²	47.5	3%	0.031	25%	0.246	C	C	.	.	H	α-helix	trans	-65.3	-39	172.3	-58.5	0	0	0	0	111.5	L1049 L1053 L1071 A1075 A1080 S1085 K1086 A1087 D1120	L1049-T1083 HydrophobicContact CD1-CG2 4.35Å; L1053-T1083 HydrophobicContact CD2-CG2 4.06Å; L1071-T1083 HydrophobicContact CD1-CG2 4.47Å; A1075-T1083 HydrophobicContact CB-CG2 4.24Å; A1080-T1083 PolarHBondContact O-N 2.8Å; T1083-S1085 VanDerWaalsContact C-N 3.35Å; T1083-S1085 PolarHBondContact O-N 2.95Å; T1083-K1086 PolarHBondContact O-N 3.01Å; T1083-A1087 PolarHBondContact O-N 3.14Å; T1083-D1120 PolarHBondContact N-OD2 2.82Å
1084	C	83.9	Confident	84	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.7	-44.6	173.5	-168.7	0	0	0	0	111.4	A1072 A1075 A1080 G1082 A1087 F1088 F1113	A1072-C1084 PolarHBondContact O-SG 2.57Å; A1075-C1084 HydrophobicContact CB-CB 3.75Å; A1080-C1084 WeakPolarHBondContact O-CB 3.48Å; A1080-C1084 PolarHBondContact O-N 3.14Å; G1082-C1084 VanDerWaalsContact C-N 3.33Å; C1084-A1087 WeakPolarHBondContact O-CB 3.06Å; C1084-A1087 PolarHBondContact O-N 2.86Å; C1084-F1088 VanDerWaalsContact O-CD2 3.27Å; C1084-F1088 WeakPolarHBondContact O-CD2 3.33Å; C1084-F1088 PolarHBondContact O-N 3.1Å; C1084-F1088 VanDerWaalsContact SG-CE2 3.53Å; C1084-F1113 HydrophobicContact CB-CZ 4.37Å
1085	S	83.6	Confident	83.5	Confident	28 Å²	28	52.2 Å²	52.2	20%	0.196	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-45.5	176.5	-177.7	0	0	0	0	112	F1081 G1082 T1083 A1087 F1088 I1089	F1081-S1085 WeakPolarHBondContact O-CB 3.32Å; F1081-S1085 PolarHBondContact O-N 3.47Å; G1082-S1085 PolarHBondContact O-N 3.48Å; T1083-S1085 VanDerWaalsContact C-N 3.35Å; T1083-S1085 PolarHBondContact O-N 2.95Å; S1085-A1087 VanDerWaalsContact C-N 3.28Å; S1085-A1087 PolarHBondContact O-N 2.94Å; S1085-F1088 PolarHBondContact O-N 3.3Å; S1085-I1089 VanDerWaalsContact O-CG1 3.31Å; S1085-I1089 WeakPolarHBondContact O-CG1 3.36Å; S1085-I1089 PolarHBondContact O-N 3.47Å
1086	K	85.4	Confident	83	Confident	113 Å²	113	57.6 Å²	57.6	49%	0.491	30%	0.299	S	S	.	.	H	α-helix	trans	-57.8	-40	174.5	-69.4	177.2	-176.2	179.4	0	111.8	G1082 T1083 I1089 K1090 D1127	G1082-K1086 WeakPolarHBondContact O-CG 3.3Å; G1082-K1086 PolarHBondContact O-N 2.86Å; T1083-K1086 PolarHBondContact O-N 3.01Å; K1086-I1089 PolarHBondContact O-N 2.92Å; K1086-K1090 PolarHBondContact O-N 2.84Å; K1086-D1127 IonicContact NZ-OD2 2.58Å; K1086-D1127 PolarHBondContact NZ-OD2 2.93Å
1087	A	85.2	Confident	82.8	Confident	2 Å²	2	56.1 Å²	56.1	2%	0.017	29%	0.287	C	S	.	.	H	α-helix	trans	-66.2	-44	177.4	0	0	0	0	0	112.3	Y1068 L1071 A1072 T1083 C1084 S1085 I1089 K1090 L1091	Y1068-A1087 HydrophobicContact CD1-CB 4.46Å; L1071-A1087 HydrophobicContact CD2-CB 4.16Å; L1071-A1087 HydrophobicContact CG-CB 4.23Å; A1072-A1087 HydrophobicContact CB-CB 4Å; T1083-A1087 PolarHBondContact O-N 3.14Å; C1084-A1087 WeakPolarHBondContact O-CB 3.06Å; C1084-A1087 PolarHBondContact O-N 2.86Å; S1085-A1087 VanDerWaalsContact C-N 3.28Å; S1085-A1087 PolarHBondContact O-N 2.94Å; A1087-I1089 PolarHBondContact O-N 3.3Å; A1087-K1090 PolarHBondContact O-N 2.99Å; A1087-L1091 WeakPolarHBondContact O-CG 3.35Å; A1087-L1091 PolarHBondContact O-N 3.06Å
1088	F	86.7	Confident	82.8	Confident	20 Å²	20	56.3 Å²	56.3	9%	0.088	29%	0.286	C	S	.	.	H	α-helix	trans	-63.9	-38.2	174.9	-82.5	-69.9	0	0	0	113	A1072 C1084 S1085 K1090 L1091 K1092 Y1105 L1108 A1109 I1112 F1113	A1072-F1088 HydrophobicContact CB-CD2 4.39Å; A1072-F1088 HydrophobicContact CB-CE2 4.07Å; A1072-F1088 HydrophobicContact CB-CZ 4.26Å; C1084-F1088 VanDerWaalsContact O-CD2 3.27Å; C1084-F1088 WeakPolarHBondContact O-CD2 3.33Å; C1084-F1088 PolarHBondContact O-N 3.1Å; C1084-F1088 VanDerWaalsContact SG-CE2 3.53Å; S1085-F1088 PolarHBondContact O-N 3.3Å; F1088-K1090 VanDerWaalsContact C-N 3.32Å; F1088-K1090 PolarHBondContact O-N 2.96Å; F1088-L1091 HydrophobicContact CD1-CD1 4.31Å; F1088-L1091 PolarHBondContact O-N 3.06Å; F1088-K1092 PolarHBondContact O-N 2.93Å; F1088-Y1105 HydrophobicContact CD1-CD1 4.39Å; F1088-Y1105 HydrophobicContact CE1-CD1 4.07Å; F1088-L1108 HydrophobicContact CE1-CD2 4.08Å; F1088-L1108 HydrophobicContact CZ-CD2 4Å; F1088-L1108 HydrophobicContact CZ-CG 4.34Å; F1088-A1109 HydrophobicContact CB-CB 4.41Å; F1088-A1109 HydrophobicContact CD1-CB 4.26Å; F1088-A1109 HydrophobicContact CG-CB 4.17Å; F1088-I1112 HydrophobicContact CE2-CD1 4.06Å; F1088-I1112 HydrophobicContact CZ-CD1 4.07Å; F1088-F1113 HydrophobicContact CD2-CE2 4.12Å; F1088-F1113 HydrophobicContact CD2-CZ 4.41Å
1089	I	85.8	Confident	82.7	Confident	109 Å²	109	60.2 Å²	60.2	56%	0.559	31%	0.313	S	S	*	.	H	α-helix	trans	-61.2	-45	173.9	-68.8	165.3	0	0	0	110.2	S1085 K1086 A1087 K1092 S1093	S1085-I1089 VanDerWaalsContact O-CG1 3.31Å; S1085-I1089 WeakPolarHBondContact O-CG1 3.36Å; S1085-I1089 PolarHBondContact O-N 3.47Å; K1086-I1089 PolarHBondContact O-N 2.92Å; A1087-I1089 PolarHBondContact O-N 3.3Å; I1089-K1092 PolarHBondContact O-N 3.43Å; I1089-S1093 PolarHBondContact O-N 3.17Å
1090	K	85.9	Confident	82.8	Confident	78 Å²	78	57 Å²	57	34%	0.339	31%	0.306	S	S	.	.	H	α-helix	trans	-63.8	-44.3	177.8	-169.8	67.2	172.3	-177.2	0	111.1	Y1068 K1086 A1087 F1088 K1092 S1093 L1094	Y1068-K1090 HydrophobicContact CD1-CB 4.04Å; Y1068-K1090 HydrophobicContact CD1-CG 3.97Å; Y1068-K1090 HydrophobicContact CD2-CG 3.78Å; Y1068-K1090 HydrophobicContact CE1-CB 4.1Å; Y1068-K1090 HydrophobicContact CE1-CG 3.72Å; Y1068-K1090 HydrophobicContact CE2-CD 4.44Å; Y1068-K1090 HydrophobicContact CE2-CG 3.57Å; Y1068-K1090 HydrophobicContact CG-CB 4.29Å; Y1068-K1090 HydrophobicContact CG-CG 4.02Å; K1086-K1090 PolarHBondContact O-N 2.84Å; A1087-K1090 PolarHBondContact O-N 2.99Å; F1088-K1090 VanDerWaalsContact C-N 3.32Å; F1088-K1090 PolarHBondContact O-N 2.96Å; K1090-K1092 VanDerWaalsContact C-N 3.32Å; K1090-K1092 PolarHBondContact O-N 2.9Å; K1090-S1093 WeakPolarHBondContact CA-OG 3.44Å; K1090-S1093 PolarHBondContact O-N 2.93Å; K1090-S1093 VanDerWaalsContact O-N 3.1Å; K1090-S1093 PolarHBondContact O-OG 3.34Å; K1090-L1094 WeakPolarHBondContact O-CG 3.39Å; K1090-L1094 PolarHBondContact O-N 3.29Å
1091	L	85	Confident	82.8	Confident	1 Å²	1	60.6 Å²	60.6	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-55.6	-45.1	173.1	-73.3	169.7	0	0	0	111.6	V1065 A1087 F1088 S1093 L1094 L1097 Y1105	V1065-L1091 HydrophobicContact CG1-CD2 4.41Å; A1087-L1091 WeakPolarHBondContact O-CG 3.35Å; A1087-L1091 PolarHBondContact O-N 3.06Å; F1088-L1091 HydrophobicContact CD1-CD1 4.31Å; F1088-L1091 PolarHBondContact O-N 3.06Å; L1091-S1093 VanDerWaalsContact C-N 3.29Å; L1091-S1093 PolarHBondContact O-N 3.25Å; L1091-L1094 HydrophobicContact CD2-CD1 4.21Å; L1091-L1094 WeakPolarHBondContact O-CB 3.19Å; L1091-L1094 PolarHBondContact O-N 2.79Å; L1091-L1097 VanDerWaalsContact O-CD1 3.28Å; L1091-L1097 WeakPolarHBondContact O-CD1 3.21Å; L1091-Y1105 HydrophobicContact CD1-CD1 4.29Å; L1091-Y1105 HydrophobicContact CD1-CE1 4.1Å
1092	K	81.5	Confident	82.8	Confident	98 Å²	98	62.1 Å²	62.1	43%	0.426	33%	0.328	S	S	.	.	H	α-helix	trans	-62.3	-36.1	177	-169.6	174.7	-170.5	169.1	0	112.8	F1088 I1089 K1090 L1094 E1106	F1088-K1092 PolarHBondContact O-N 2.93Å; I1089-K1092 PolarHBondContact O-N 3.43Å; K1090-K1092 VanDerWaalsContact C-N 3.32Å; K1090-K1092 PolarHBondContact O-N 2.9Å; K1092-L1094 PolarHBondContact O-N 3.4Å; K1092-E1106 WeakPolarHBondContact CE-OE2 3.42Å; K1092-E1106 IonicContact NZ-OE1 3.74Å; K1092-E1106 PolarHBondContact NZ-OE1 2.71Å; K1092-E1106 IonicContact NZ-OE2 2.71Å; K1092-E1106 PolarHBondContact NZ-OE2 3.3Å
1093	S	83.9	Confident	83	Confident	71 Å²	71	67.1 Å²	67.1	50%	0.497	35%	0.349	S	S	.	.	H	α-helix	trans	-73	-11.7	179.9	73.8	0	0	0	0	114.3	I1089 K1090 L1091 E1095	I1089-S1093 PolarHBondContact O-N 3.17Å; K1090-S1093 WeakPolarHBondContact CA-OG 3.44Å; K1090-S1093 PolarHBondContact O-N 2.93Å; K1090-S1093 VanDerWaalsContact O-N 3.1Å; K1090-S1093 PolarHBondContact O-OG 3.34Å; L1091-S1093 VanDerWaalsContact C-N 3.29Å; L1091-S1093 PolarHBondContact O-N 3.25Å; S1093-E1095 PolarHBondContact O-N 3.28Å
1094	L	84.8	Confident	83.1	Confident	22 Å²	22	72.6 Å²	72.6	12%	0.115	37%	0.374	C	S	.	.			trans	-73	124.3	-179.1	-65.5	173.7	0	0	0	110.9	P1064 V1065 K1090 L1091 K1092 T1096 L1097 K1102	P1064-L1094 HydrophobicContact CB-CD1 3.98Å; P1064-L1094 HydrophobicContact CB-CD2 3.9Å; V1065-L1094 HydrophobicContact CB-CD1 4.45Å; V1065-L1094 HydrophobicContact CG2-CD1 3.63Å; K1090-L1094 WeakPolarHBondContact O-CG 3.39Å; K1090-L1094 PolarHBondContact O-N 3.29Å; L1091-L1094 HydrophobicContact CD2-CD1 4.21Å; L1091-L1094 WeakPolarHBondContact O-CB 3.19Å; L1091-L1094 PolarHBondContact O-N 2.79Å; K1092-L1094 PolarHBondContact O-N 3.4Å; L1094-T1096 PolarHBondContact O-N 2.95Å; L1094-L1097 HydrophobicContact CB-CD1 4.37Å; L1094-L1097 HydrophobicContact CB-CG 4.47Å; L1094-K1102 WeakPolarHBondContact O-CE 3.46Å; L1094-K1102 PolarHBondContact O-NZ 2.96Å
1095	E	76.5	Confident	83.3	Confident	187 Å²	187	75.2 Å²	75.2	87%	0.874	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-17.8	177.1	-64.9	-176.8	174.3	0	0	112.9	S1093 L1097	S1093-E1095 PolarHBondContact O-N 3.28Å; E1095-L1097 VanDerWaalsContact C-N 3.3Å; E1095-L1097 PolarHBondContact O-N 3.45Å
1096	T	76	Confident	83.2	Confident	114 Å²	114	77.8 Å²	77.8	70%	0.699	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-15	-178.6	53.1	0	0	0	0	114.6	L1094	L1094-T1096 PolarHBondContact O-N 2.95Å
1097	L	79.8	Confident	83.2	Confident	14 Å²	14	76.8 Å²	76.8	7%	0.073	39%	0.393	C	S	.	.	S	Bend	trans	-90	140	-179.2	-67.5	173.5	0	0	0	111.7	V1065 L1091 L1094 E1095 Q1101 K1102 Y1105	V1065-L1097 HydrophobicContact CG1-CD2 3.95Å; V1065-L1097 HydrophobicContact CG2-CD1 4.44Å; V1065-L1097 HydrophobicContact CG2-CD2 3.76Å; V1065-L1097 HydrophobicContact CG2-CG 4.03Å; L1091-L1097 VanDerWaalsContact O-CD1 3.28Å; L1091-L1097 WeakPolarHBondContact O-CD1 3.21Å; L1094-L1097 HydrophobicContact CB-CD1 4.37Å; L1094-L1097 HydrophobicContact CB-CG 4.47Å; E1095-L1097 VanDerWaalsContact C-N 3.3Å; E1095-L1097 PolarHBondContact O-N 3.45Å; L1097-Q1101 HydrophobicContact CB-CB 4.39Å; L1097-Q1101 HydrophobicContact CD2-CB 4.38Å; L1097-K1102 HydrophobicContact CB-CG 3.99Å; L1097-K1102 WeakPolarHBondContact O-CE 3.15Å; L1097-Y1105 HydrophobicContact CD1-CD2 4.02Å; L1097-Y1105 HydrophobicContact CD1-CE2 3.75Å; L1097-Y1105 HydrophobicContact CD2-CE2 4.28Å
1098	S	83.4	Confident	83.2	Confident	55 Å²	55	80.3 Å²	80.3	39%	0.385	41%	0.411	S	S	.	.			trans	-64.6	157.3	174.3	74.6	0	0	0	0	111.5	E1100 Q1101 K1102	S1098-E1100 PolarHBondContact O-N 2.93Å; S1098-Q1101 PolarHBondContact O-N 2.88Å; S1098-Q1101 WeakPolarHBondContact OG-CG 3.47Å; S1098-Q1101 PolarHBondContact OG-N 3.38Å; S1098-K1102 WeakPolarHBondContact O-CG 3.35Å; S1098-K1102 PolarHBondContact O-N 2.98Å
1099	S	79.8	Confident	83.1	Confident	104 Å²	104	80.2 Å²	80.2	73%	0.727	41%	0.414	S	S	*	.	H	α-helix	trans	-56.5	-34.1	176.7	50.8	0	0	0	0	112.4	Q1103	S1099-Q1103 PolarHBondContact O-N 2.97Å; S1099-Q1103 VanDerWaalsContact O-N 3.14Å
1100	E	83.9	Confident	83	Confident	130 Å²	130	79.8 Å²	79.8	61%	0.607	41%	0.412	S	S	*	.	H	α-helix	trans	-71.3	-43.1	178	-165.5	174.6	-169.3	0	0	112.3	S1098 K1102 Q1103 Q1104	S1098-E1100 PolarHBondContact O-N 2.93Å; E1100-K1102 VanDerWaalsContact C-N 3.33Å; E1100-K1102 PolarHBondContact O-N 3.1Å; E1100-Q1103 PolarHBondContact O-N 2.85Å; E1100-Q1104 WeakPolarHBondContact O-CG 3.33Å; E1100-Q1104 PolarHBondContact O-N 3.2Å
1101	Q	82.4	Confident	82.9	Confident	85 Å²	85	81 Å²	81	40%	0.397	42%	0.419	S	S	.	.	H	α-helix	trans	-64.3	-38.5	174.9	-73.8	174.6	-33.2	0	0	111.9	L1097 S1098 Q1103 Q1104 Y1105	L1097-Q1101 HydrophobicContact CB-CB 4.39Å; L1097-Q1101 HydrophobicContact CD2-CB 4.38Å; S1098-Q1101 PolarHBondContact O-N 2.88Å; S1098-Q1101 WeakPolarHBondContact OG-CG 3.47Å; S1098-Q1101 PolarHBondContact OG-N 3.38Å; Q1101-Q1103 VanDerWaalsContact C-N 3.29Å; Q1101-Q1103 PolarHBondContact O-N 2.87Å; Q1101-Q1104 PolarHBondContact O-N 2.86Å; Q1101-Y1105 WeakPolarHBondContact O-CD2 3.43Å; Q1101-Y1105 PolarHBondContact O-N 3.26Å
1102	K	82.4	Confident	82.8	Confident	57 Å²	57	82.3 Å²	82.3	25%	0.248	43%	0.426	C	S	.	.	H	α-helix	trans	-61.2	-40.3	174.5	-72.6	179.3	178.9	-177.9	0	111.7	L1094 L1097 S1098 E1100 Y1105 E1106	L1094-K1102 WeakPolarHBondContact O-CE 3.46Å; L1094-K1102 PolarHBondContact O-NZ 2.96Å; L1097-K1102 HydrophobicContact CB-CG 3.99Å; L1097-K1102 WeakPolarHBondContact O-CE 3.15Å; S1098-K1102 WeakPolarHBondContact O-CG 3.35Å; S1098-K1102 PolarHBondContact O-N 2.98Å; E1100-K1102 VanDerWaalsContact C-N 3.33Å; E1100-K1102 PolarHBondContact O-N 3.1Å; K1102-Y1105 PolarHBondContact O-N 3.33Å; K1102-E1106 WeakPolarHBondContact O-CB 3.31Å; K1102-E1106 PolarHBondContact O-N 3.19Å
1103	Q	83.5	Confident	82.8	Confident	117 Å²	117	80 Å²	80	55%	0.547	42%	0.416	S	S	.	.	H	α-helix	trans	-67	-41.4	176.5	-166.8	168.4	1	0	0	111.7	S1099 E1100 Q1101 Y1105 E1106 D1107	S1099-Q1103 PolarHBondContact O-N 2.97Å; S1099-Q1103 VanDerWaalsContact O-N 3.14Å; E1100-Q1103 PolarHBondContact O-N 2.85Å; Q1101-Q1103 VanDerWaalsContact C-N 3.29Å; Q1101-Q1103 PolarHBondContact O-N 2.87Å; Q1103-Y1105 PolarHBondContact O-N 2.93Å; Q1103-E1106 WeakPolarHBondContact O-CB 3.4Å; Q1103-E1106 PolarHBondContact O-N 3.1Å; Q1103-E1106 VanDerWaalsContact O-N 3.11Å; Q1103-D1107 PolarHBondContact O-N 2.88Å
1104	Q	86.2	Confident	82.6	Confident	119 Å²	119	81.8 Å²	81.8	56%	0.556	42%	0.424	S	S	*	.	H	α-helix	trans	-61.3	-41.7	175.1	-70.8	176.3	1.5	0	0	112.9	E1100 Q1101 E1106 L1108	E1100-Q1104 WeakPolarHBondContact O-CG 3.33Å; E1100-Q1104 PolarHBondContact O-N 3.2Å; Q1101-Q1104 PolarHBondContact O-N 2.86Å; Q1104-E1106 VanDerWaalsContact C-N 3.3Å; Q1104-E1106 PolarHBondContact O-N 3.22Å; Q1104-L1108 WeakPolarHBondContact O-CB 3.39Å; Q1104-L1108 PolarHBondContact O-N 2.8Å
1105	Y	86.6	Confident	82.2	Confident	55 Å²	55	87.3 Å²	87.3	22%	0.216	45%	0.447	C	S	.	.	H	α-helix	trans	-66.7	-33	174.4	-73.6	-58.7	0	0	0	112.4	S1069 F1088 L1091 L1097 Q1101 K1102 Q1103 A1109	S1069-Y1105 PolarHBondContact OG-OH 2.72Å; F1088-Y1105 HydrophobicContact CD1-CD1 4.39Å; F1088-Y1105 HydrophobicContact CE1-CD1 4.07Å; L1091-Y1105 HydrophobicContact CD1-CD1 4.29Å; L1091-Y1105 HydrophobicContact CD1-CE1 4.1Å; L1097-Y1105 HydrophobicContact CD1-CD2 4.02Å; L1097-Y1105 HydrophobicContact CD1-CE2 3.75Å; L1097-Y1105 HydrophobicContact CD2-CE2 4.28Å; Q1101-Y1105 WeakPolarHBondContact O-CD2 3.43Å; Q1101-Y1105 PolarHBondContact O-N 3.26Å; K1102-Y1105 PolarHBondContact O-N 3.33Å; Q1103-Y1105 PolarHBondContact O-N 2.93Å; Y1105-A1109 VanDerWaalsContact O-CB 3.25Å; Y1105-A1109 WeakPolarHBondContact O-CB 3.4Å; Y1105-A1109 PolarHBondContact O-N 3.43Å
1106	E	82.6	Confident	82.2	Confident	83 Å²	83	82.7 Å²	82.7	39%	0.388	43%	0.425	S	S	.	.	H	α-helix	trans	-69.1	-45	175.8	-179	155.8	-150.1	0	0	111.8	K1092 K1102 Q1103 Q1104 L1108 A1109 L1110	K1092-E1106 WeakPolarHBondContact CE-OE2 3.42Å; K1092-E1106 IonicContact NZ-OE1 3.74Å; K1092-E1106 PolarHBondContact NZ-OE1 2.71Å; K1092-E1106 IonicContact NZ-OE2 2.71Å; K1092-E1106 PolarHBondContact NZ-OE2 3.3Å; K1102-E1106 WeakPolarHBondContact O-CB 3.31Å; K1102-E1106 PolarHBondContact O-N 3.19Å; Q1103-E1106 WeakPolarHBondContact O-CB 3.4Å; Q1103-E1106 PolarHBondContact O-N 3.1Å; Q1103-E1106 VanDerWaalsContact O-N 3.11Å; Q1104-E1106 VanDerWaalsContact C-N 3.3Å; Q1104-E1106 PolarHBondContact O-N 3.22Å; E1106-L1108 VanDerWaalsContact C-N 3.34Å; E1106-L1108 PolarHBondContact O-N 3.23Å; E1106-A1109 PolarHBondContact O-N 3.29Å; E1106-L1110 HydrophobicContact CG-CD1 4.2Å; E1106-L1110 WeakPolarHBondContact O-CB 3.28Å; E1106-L1110 VanDerWaalsContact O-CG 3.29Å; E1106-L1110 WeakPolarHBondContact O-CG 3.27Å; E1106-L1110 PolarHBondContact O-N 2.95Å
1107	D	85.6	Confident	81.9	Confident	91 Å²	91	82.3 Å²	82.3	49%	0.487	42%	0.423	S	S	.	.	H	α-helix	trans	-61.7	-43	174.8	-68.1	-23.1	0	0	0	111.2	Q1103 L1110 E1111	Q1103-D1107 PolarHBondContact O-N 2.88Å; D1107-L1110 PolarHBondContact O-N 2.92Å; D1107-E1111 PolarHBondContact O-N 2.77Å
1108	L	85.6	Confident	81	Confident	77 Å²	77	85 Å²	85	40%	0.403	44%	0.443	S	S	.	.	H	α-helix	trans	-65.9	-42.6	176.9	-174.4	66.1	0	0	0	112	F1088 Q1104 E1106 L1110 E1111 I1112	F1088-L1108 HydrophobicContact CE1-CD2 4.08Å; F1088-L1108 HydrophobicContact CZ-CD2 4Å; F1088-L1108 HydrophobicContact CZ-CG 4.34Å; Q1104-L1108 WeakPolarHBondContact O-CB 3.39Å; Q1104-L1108 PolarHBondContact O-N 2.8Å; E1106-L1108 VanDerWaalsContact C-N 3.34Å; E1106-L1108 PolarHBondContact O-N 3.23Å; L1108-L1110 VanDerWaalsContact C-N 3.33Å; L1108-E1111 PolarHBondContact O-N 2.82Å; L1108-I1112 HydrophobicContact CD1-CD1 4.35Å; L1108-I1112 HydrophobicContact CG-CD1 4.07Å; L1108-I1112 WeakPolarHBondContact O-CG1 3.44Å; L1108-I1112 PolarHBondContact O-N 2.91Å
1109	A	83.9	Confident	80	Confident	17 Å²	17	90.3 Å²	90.3	14%	0.14	46%	0.459	C	S	.	.	H	α-helix	trans	-62.9	-41.7	175.4	0	0	0	0	0	111	F1088 Y1105 E1106 E1111 I1112 F1113	F1088-A1109 HydrophobicContact CB-CB 4.41Å; F1088-A1109 HydrophobicContact CD1-CB 4.26Å; F1088-A1109 HydrophobicContact CG-CB 4.17Å; Y1105-A1109 VanDerWaalsContact O-CB 3.25Å; Y1105-A1109 WeakPolarHBondContact O-CB 3.4Å; Y1105-A1109 PolarHBondContact O-N 3.43Å; E1106-A1109 PolarHBondContact O-N 3.29Å; A1109-E1111 PolarHBondContact O-N 2.82Å; A1109-I1112 PolarHBondContact O-N 3.02Å; A1109-F1113 HydrophobicContact CB-CD2 4.15Å; A1109-F1113 HydrophobicContact CB-CE2 4.19Å; A1109-F1113 WeakPolarHBondContact O-CB 3.43Å; A1109-F1113 WeakPolarHBondContact O-CD2 3.38Å; A1109-F1113 PolarHBondContact O-N 3.48Å
1110	L	82.9	Confident	79.1	Confident	100 Å²	100	87.4 Å²	87.4	52%	0.524	44%	0.435	S	S	.	.	H	α-helix	trans	-60.7	-42.8	174.1	-76.3	166	0	0	0	111.3	E1106 D1107 L1108 I1112 T1114	E1106-L1110 HydrophobicContact CG-CD1 4.2Å; E1106-L1110 WeakPolarHBondContact O-CB 3.28Å; E1106-L1110 VanDerWaalsContact O-CG 3.29Å; E1106-L1110 WeakPolarHBondContact O-CG 3.27Å; E1106-L1110 PolarHBondContact O-N 2.95Å; D1107-L1110 PolarHBondContact O-N 2.92Å; L1108-L1110 VanDerWaalsContact C-N 3.33Å; L1110-I1112 PolarHBondContact O-N 2.76Å; L1110-T1114 VanDerWaalsContact O-CB 3.28Å; L1110-T1114 WeakPolarHBondContact O-CB 3.02Å; L1110-T1114 WeakPolarHBondContact O-CG2 3.32Å; L1110-T1114 PolarHBondContact O-N 3.25Å; L1110-T1114 PolarHBondContact O-OG1 2.9Å
1111	E	83.8	Confident	77.7	Confident	104 Å²	104	88.8 Å²	88.8	49%	0.486	45%	0.447	S	S	.	.	H	α-helix	trans	-64	-41.1	178	-159.9	-165.4	157.9	0	0	112.5	D1107 L1108 A1109 T1114 K1115	D1107-E1111 PolarHBondContact O-N 2.77Å; L1108-E1111 PolarHBondContact O-N 2.82Å; A1109-E1111 PolarHBondContact O-N 2.82Å; E1111-T1114 PolarHBondContact O-OG1 2.93Å; E1111-K1115 IonicContact OE1-NZ 3.22Å; E1111-K1115 PolarHBondContact OE1-NZ 2.91Å
1112	I	82.9	Confident	76.5	Confident	29 Å²	29	94.7 Å²	94.7	15%	0.149	47%	0.466	C	S	.	.	H	α-helix	trans	-71.1	-47.7	-179.6	-65.6	168.7	0	0	0	110.7	F1081 F1088 L1108 A1109 L1110 K1115 H1116	F1081-I1112 HydrophobicContact CD1-CG2 4.22Å; F1081-I1112 HydrophobicContact CE1-CG2 4.18Å; F1088-I1112 HydrophobicContact CE2-CD1 4.06Å; F1088-I1112 HydrophobicContact CZ-CD1 4.07Å; L1108-I1112 HydrophobicContact CD1-CD1 4.35Å; L1108-I1112 HydrophobicContact CG-CD1 4.07Å; L1108-I1112 WeakPolarHBondContact O-CG1 3.44Å; L1108-I1112 PolarHBondContact O-N 2.91Å; A1109-I1112 PolarHBondContact O-N 3.02Å; L1110-I1112 PolarHBondContact O-N 2.76Å; I1112-K1115 PolarHBondContact O-N 3.06Å; I1112-H1116 PolarHBondContact O-N 3.1Å
1113	F	82.3	Confident	75	Confident	49 Å²	49	100.5 Å²	100.5	22%	0.215	49%	0.491	C	S	.	.	H	α-helix	trans	-85.1	-8.8	-172.7	-61.8	-60.1	0	0	0	114.5	F1081 C1084 F1088 A1109 K1115 H1116	F1081-F1113 HydrophobicContact CB-CE1 4.1Å; F1081-F1113 HydrophobicContact CD1-CE1 4.41Å; F1081-F1113 WeakPolarHBondContact O-CE1 3.47Å; C1084-F1113 HydrophobicContact CB-CZ 4.37Å; F1088-F1113 HydrophobicContact CD2-CE2 4.12Å; F1088-F1113 HydrophobicContact CD2-CZ 4.41Å; A1109-F1113 HydrophobicContact CB-CD2 4.15Å; A1109-F1113 HydrophobicContact CB-CE2 4.19Å; A1109-F1113 WeakPolarHBondContact O-CB 3.43Å; A1109-F1113 WeakPolarHBondContact O-CD2 3.38Å; A1109-F1113 PolarHBondContact O-N 3.48Å; F1113-K1115 VanDerWaalsContact C-N 3.35Å; F1113-H1116 CarbonylContact C-O 3.6Å; F1113-H1116 WeakPolarHBondContact CA-O 3.34Å; F1113-H1116 VanDerWaalsContact O-O 3.08Å
1114	T	79.9	Confident	73.5	Confident	108 Å²	108	96.2 Å²	96.2	66%	0.663	47%	0.473	S	S	*	.	H	α-helix	trans	-73.1	-28.9	164.7	47.2	0	0	0	0	112.1	L1110 E1111	L1110-T1114 VanDerWaalsContact O-CB 3.28Å; L1110-T1114 WeakPolarHBondContact O-CB 3.02Å; L1110-T1114 WeakPolarHBondContact O-CG2 3.32Å; L1110-T1114 PolarHBondContact O-N 3.25Å; L1110-T1114 PolarHBondContact O-OG1 2.9Å; E1111-T1114 PolarHBondContact O-OG1 2.93Å
1115	K	76.9	Confident	71.8	Confident	139 Å²	139	97.8 Å²	97.8	60%	0.604	48%	0.48	S	S	*	.	H	α-helix	trans	-93.3	-28.2	178.6	-65.3	171.7	-174.1	162.1	0	113.1	E1111 I1112 F1113	E1111-K1115 IonicContact OE1-NZ 3.22Å; E1111-K1115 PolarHBondContact OE1-NZ 2.91Å; I1112-K1115 PolarHBondContact O-N 3.06Å; F1113-K1115 VanDerWaalsContact C-N 3.35Å
1116	H	76.3	Confident	70.1	Confident	89 Å²	89	97.3 Å²	97.3	41%	0.412	48%	0.482	S	S	.	.	S	Bend	trans	-128.1	132.6	-176.3	-60.9	-67.2	0	0	0	111.9	F1081 I1112 F1113	F1081-H1116 HydrophobicContact CD1-CB 4.07Å; F1081-H1116 HydrophobicContact CD2-CB 4.09Å; F1081-H1116 HydrophobicContact CE1-CB 3.97Å; F1081-H1116 AromaticContact CE1-CD2 3.88Å; F1081-H1116 AromaticContact CE1-CG 3.9Å; F1081-H1116 HydrophobicContact CE2-CB 3.98Å; F1081-H1116 AromaticContact CE2-CG 3.89Å; F1081-H1116 HydrophobicContact CG-CB 4.14Å; F1081-H1116 HydrophobicContact CZ-CB 3.92Å; F1081-H1116 AromaticContact CZ-CD2 3.74Å; F1081-H1116 AromaticContact CZ-CG 3.55Å; F1081-H1116 AromaticContact CZ-ND1 3.89Å; I1112-H1116 PolarHBondContact O-N 3.1Å; F1113-H1116 CarbonylContact C-O 3.6Å; F1113-H1116 WeakPolarHBondContact CA-O 3.34Å; F1113-H1116 VanDerWaalsContact O-O 3.08Å
1117	T	69.3	Low	68.4	Low	106 Å²	106	96.1 Å²	96.1	65%	0.65	48%	0.478	S	S	*	.			trans	-69.5	138.1	177.4	50.7	0	0	0	0	110.8	K1119	T1117-K1119 PolarHBondContact O-N 2.83Å
1118	S	61.6	Low	66.6	Low	72 Å²	72	95.5 Å²	95.5	50%	0.503	48%	0.48	S	S	.	.	S	Bend	trans	-71.9	19.5	-177.1	57	0	0	0	0	114.7
1119	K	62.3	Low	64.9	Low	166 Å²	166	96.8 Å²	96.8	72%	0.722	49%	0.487	S	S	*	.	S	Bend	trans	-106.1	127.2	175.7	-70.9	-174.6	178.5	-179.9	0	109.2	T1117 N1121	T1117-K1119 PolarHBondContact O-N 2.83Å; K1119-N1121 PolarHBondContact O-N 3.4Å
1120	D	59.5	Low	63.2	Low	42 Å²	42	101.6 Å²	101.6	23%	0.225	51%	0.508	C	S	.	.			trans	-67.5	119.2	174.7	-73.6	-35.8	0	0	0	110.3	A1080 F1081 G1082 T1083 R1122	A1080-D1120 WeakPolarHBondContact CA-OD1 3.32Å; F1081-D1120 PolarHBondContact N-OD1 3.11Å; G1082-D1120 WeakPolarHBondContact CA-OD1 3.42Å; G1082-D1120 WeakPolarHBondContact CA-OD2 3.2Å; G1082-D1120 PolarHBondContact N-OD1 3.18Å; T1083-D1120 PolarHBondContact N-OD2 2.82Å; D1120-R1122 WeakPolarHBondContact CB-O 3.46Å; D1120-R1122 PolarHBondContact O-N 2.96Å
1121	N	55.9	Low	61.3	Low	160 Å²	160	105.4 Å²	105.4	86%	0.856	52%	0.523	S	S	*	.	S	Bend	trans	-69.5	-12.5	173.1	-82.3	-16.6	0	0	0	112.6	K1119	K1119-N1121 PolarHBondContact O-N 3.4Å
1122	R	56.5	Low	59	Low	209 Å²	209	103.4 Å²	103.4	79%	0.789	53%	0.531	S	S	*	.	S	Bend	trans	-133.4	116.1	167.8	-76.7	179.3	174.4	174.6	-3.3	107.7	D1120 P1124	D1120-R1122 WeakPolarHBondContact CB-O 3.46Å; D1120-R1122 PolarHBondContact O-N 2.96Å; R1122-P1124 WeakPolarHBondContact O-CD 3.38Å
1123	K	50.7	Low	56.7	Low	179 Å²	179	105.3 Å²	105.3	78%	0.778	56%	0.557	S	S	*	*			trans	-57.6	122.5	164.3	-80	-175.2	174.3	-173.6	0	107.1	E1125	K1123-E1125 PolarHBondContact O-N 3.21Å
1124	P	52.7	Low	54.9	Low	26 Å²	26	113 Å²	113	17%	0.169	59%	0.594	C	S	.	*			trans	-60	125	166.8	24.4	-29.5	0	0	0	106.8	R1122 L1126 D1127	R1122-P1124 WeakPolarHBondContact O-CD 3.38Å; P1124-L1126 PolarHBondContact O-N 3.18Å; P1124-D1127 PolarHBondContact O-N 3.35Å; P1124-D1127 VanDerWaalsContact O-N 3.11Å
1125	E	51	Low	53.5	Low	152 Å²	152	111 Å²	111	71%	0.71	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.7	-18.1	-179	-73.2	175.6	151.8	0	0	113.2	K1123 S1128	K1123-E1125 PolarHBondContact O-N 3.21Å; E1125-S1128 PolarHBondContact O-OG 2.8Å
1126	L	50.2	Low	52.7	Low	46 Å²	46	111.1 Å²	111.1	24%	0.241	60%	0.595	C	S	.	*	T	Hydrogen-bonded Turn	trans	-73	-34.4	-179.8	-151.6	74.7	0	0	0	114.7	L1053 P1124 S1128 L1129 M1130 P1146	L1053-L1126 HydrophobicContact CB-CD2 4.31Å; L1053-L1126 HydrophobicContact CD1-CD2 3.92Å; P1124-L1126 PolarHBondContact O-N 3.18Å; L1126-S1128 VanDerWaalsContact C-N 3.27Å; L1126-S1128 PolarHBondContact O-N 2.91Å; L1126-L1129 PolarHBondContact O-N 3.26Å; L1126-M1130 WeakPolarHBondContact O-CG 3.48Å; L1126-M1130 PolarHBondContact O-N 2.9Å; L1126-P1146 HydrophobicContact CD1-CG 3.81Å
1127	D	47.1	Very low	52.2	Low	58 Å²	58	111.1 Å²	111.1	31%	0.31	60%	0.597	S	S	.	*	H	α-helix	trans	-67.8	-32.5	177.5	-97.9	8.6	0	0	0	110.2	K1086 P1124 L1129 E1131	K1086-D1127 IonicContact NZ-OD2 2.58Å; K1086-D1127 PolarHBondContact NZ-OD2 2.93Å; P1124-D1127 PolarHBondContact O-N 3.35Å; P1124-D1127 VanDerWaalsContact O-N 3.11Å; D1127-L1129 VanDerWaalsContact C-N 3.32Å; D1127-L1129 PolarHBondContact O-N 3.09Å; D1127-E1131 PolarHBondContact O-N 3.3Å
1128	S	47.8	Very low	52.3	Low	77 Å²	77	109.1 Å²	109.1	54%	0.538	59%	0.586	S	S	.	*	H	α-helix	trans	-73.5	-16.1	175	23.6	0	0	0	0	114.9	E1125 L1126	E1125-S1128 PolarHBondContact O-OG 2.8Å; L1126-S1128 VanDerWaalsContact C-N 3.27Å; L1126-S1128 PolarHBondContact O-N 2.91Å
1129	L	49.6	Very low	53.2	Low	104 Å²	104	107 Å²	107	55%	0.545	57%	0.57	S	S	.	*	H	α-helix	trans	-98.1	-12.5	176.9	-78.4	161.7	0	0	0	113	L1126 D1127	L1126-L1129 PolarHBondContact O-N 3.26Å; D1127-L1129 VanDerWaalsContact C-N 3.32Å; D1127-L1129 PolarHBondContact O-N 3.09Å
1130	M	48	Very low	54.3	Low	119 Å²	119	99.1 Å²	99.1	59%	0.586	54%	0.536	S	S	*	.	H	α-helix	trans	-99.3	-19.3	179.5	-65.9	-99.2	72.4	0	0	113.2	L1126	L1126-M1130 WeakPolarHBondContact O-CG 3.48Å; L1126-M1130 PolarHBondContact O-N 2.9Å
1131	E	42.8	Very low	55.5	Low	180 Å²	180	97.2 Å²	97.2	84%	0.841	53%	0.526	S	S	*	.	S	Bend	trans	-88.9	3.2	176.3	-75.2	-175	166.8	0	0	114.1	D1127	D1127-E1131 PolarHBondContact O-N 3.3Å
1132	G	35.5	Very low	56.7	Low	62 Å²	62	89.9 Å²	89.9	64%	0.639	49%	0.487	S	S	*	.	S	Bend	trans	-150.4	95.7	176.9	0	0	0	0	0	114.3
1133	G	34.7	Very low	57.8	Low	69 Å²	69	80.8 Å²	80.8	71%	0.711	46%	0.455	S	S	*	.			trans	131.3	126.2	164.2	0	0	0	0	0	114.8	G1135	G1133-G1135 PolarHBondContact O-N 3.33Å
1134	E	44.1	Very low	59.1	Low	211 Å²	211	72.4 Å²	72.4	99%	0.986	42%	0.419	S	S	*	.	S	Bend	trans	-65.5	115.1	175.1	-69.5	179.8	151.3	0	0	111.7
1135	G	51.8	Low	60.3	Low	64 Å²	64	72 Å²	72	66%	0.66	42%	0.418	S	S	*	.			trans	138.4	113.6	168.4	0	0	0	0	0	114.4	G1133 L1137	G1133-G1135 PolarHBondContact O-N 3.33Å; G1135-L1137 PolarHBondContact O-N 2.79Å
1136	K	58.7	Low	61.6	Low	143 Å²	143	66.6 Å²	66.6	62%	0.622	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-72.7	122.8	174.9	-77.2	-174.6	173.6	-169.3	0	110.5	D1057	D1057-K1136 IonicContact OD1-NZ 3.61Å; D1057-K1136 PolarHBondContact OD1-NZ 3.09Å; D1057-K1136 IonicContact OD2-NZ 3.05Å; D1057-K1136 PolarHBondContact OD2-NZ 3.25Å
1137	L	67.1	Low	63.1	Low	88 Å²	88	64.6 Å²	64.6	46%	0.461	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-68.1	141.4	173.4	-68.3	162.2	0	0	0	110.8	G1135 P1146 T1148	G1135-L1137 PolarHBondContact O-N 2.79Å; L1137-P1146 HydrophobicContact CB-CB 4.22Å; L1137-T1148 HydrophobicContact CD1-CG2 3.96Å
1138	P	70.8	Confident	64.1	Low	65 Å²	65	66.7 Å²	66.7	42%	0.422	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-66.1	138.2	178.5	24.3	-29.7	0	0	0	111.4	I1147	P1138-I1147 HydrophobicContact CG-CB 4.31Å; P1138-I1147 VanDerWaalsContact O-CB 3.31Å; P1138-I1147 WeakPolarHBondContact O-CB 3.48Å; P1138-I1147 WeakPolarHBondContact O-CG1 3.41Å; P1138-I1147 PolarHBondContact O-N 3.41Å
1139	T	80.9	Confident	65.2	Low	27 Å²	27	67.2 Å²	67.2	17%	0.166	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-88.3	133.8	-179.5	-49.1	0	0	0	0	111.1	F1032 H1054 V1141 G1144	F1032-T1139 HydrophobicContact CE1-CG2 4.13Å; F1032-T1139 HydrophobicContact CZ-CG2 4.18Å; H1054-T1139 PolarHBondContact CE1-OG1 2.77Å; H1054-T1139 PolarHBondContact ND1-OG1 3.01Å; H1054-T1139 PolarHBondContact NE2-OG1 2.97Å; T1139-V1141 PolarHBondContact O-N 3.45Å; T1139-G1144 VanDerWaalsContact CG2-C 3.46Å; T1139-G1144 WeakPolarHBondContact CG2-O 3.39Å
1140	C	84.5	Confident	66	Low	0 Å²	0	73.5 Å²	73.5	0%	0	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-65.6	118.9	172.6	179.5	0	0	0	0	110.4	A1142 T1143 G1144 S1145 I1147 L1163	C1140-A1142 VanDerWaalsContact C-N 3.26Å; C1140-A1142 PolarHBondContact O-N 3Å; C1140-T1143 WeakPolarHBondContact CB-OG1 3.3Å; C1140-T1143 PolarHBondContact O-N 3.39Å; C1140-T1143 PolarHBondContact SG-OG1 2.93Å; C1140-G1144 VanDerWaalsContact O-CA 3.32Å; C1140-G1144 WeakPolarHBondContact O-CA 3.4Å; C1140-G1144 PolarHBondContact O-N 2.85Å; C1140-S1145 WeakPolarHBondContact CB-O 3.3Å; C1140-S1145 PolarHBondContact N-O 2.93Å; C1140-I1147 HydrophobicContact CB-CD1 4.29Å; C1140-I1147 HydrophobicContact CB-CG1 3.94Å; C1140-L1163 HydrophobicContact CB-CD1 4.1Å; C1140-L1163 HydrophobicContact CB-CG 3.95Å; C1140-L1163 PolarHBondContact SG-N 3.25Å
1141	V	84.3	Confident	67.1	Low	2 Å²	2	75.1 Å²	75.1	1%	0.012	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-31.9	179.8	175.6	0	0	0	0	112.3	H1031 F1032 L1035 T1139 H1160 G1161 V1162 P1174 L1175	H1031-V1141 WeakPolarHBondContact NE2-CG1 3.16Å; H1031-V1141 PolarHBondContact NE2-O 2.94Å; H1031-V1141 VanDerWaalsContact NE2-O 3.1Å; F1032-V1141 HydrophobicContact CZ-CG2 4.48Å; L1035-V1141 WeakPolarHBondContact CD2-O 3.38Å; T1139-V1141 PolarHBondContact O-N 3.45Å; V1141-H1160 HydrophobicContact CG2-CB 3.47Å; V1141-H1160 VanDerWaalsContact CG2-CB 3.47Å; V1141-G1161 PolarHBondContact N-O 2.81Å; V1141-V1162 HydrophobicContact CB-CG2 4.18Å; V1141-P1174 HydrophobicContact CG1-CB 4.01Å; V1141-L1175 HydrophobicContact CG1-CB 3.79Å
1142	A	82.1	Confident	68.8	Low	6 Å²	6	70.3 Å²	70.3	5%	0.05	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-37.8	-178.8	0	0	0	0	0	113.5	C1140 V1162 E1166 Y1170 P1174	C1140-A1142 VanDerWaalsContact C-N 3.26Å; C1140-A1142 PolarHBondContact O-N 3Å; A1142-V1162 HydrophobicContact CB-CG1 3.77Å; A1142-E1166 HydrophobicContact CB-CB 4.4Å; A1142-Y1170 HydrophobicContact CB-CE2 3.9Å; A1142-P1174 HydrophobicContact CB-CG 4.37Å
1143	T	79.3	Confident	71.1	Confident	19 Å²	19	70 Å²	70	12%	0.117	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-13.5	-170.5	61.1	0	0	0	0	114.4	Q1039 T1051 C1140 S1145 E1166	Q1039-T1143 PolarHBondContact NE2-O 2.89Å; T1051-T1143 PolarHBondContact OG1-O 2.99Å; C1140-T1143 WeakPolarHBondContact CB-OG1 3.3Å; C1140-T1143 PolarHBondContact O-N 3.39Å; C1140-T1143 PolarHBondContact SG-OG1 2.93Å; T1143-S1145 PolarHBondContact O-N 3.09Å; T1143-E1166 HydrophobicContact CG2-CG 3.64Å
1144	G	78.3	Confident	73.5	Confident	2 Å²	2	71.8 Å²	71.8	2%	0.021	37%	0.365	C	S	.	.			trans	70.5	9.7	-175.9	0	0	0	0	0	114.6	T1051 T1139 C1140	T1051-G1144 WeakPolarHBondContact OG1-CA 3.5Å; T1139-G1144 VanDerWaalsContact CG2-C 3.46Å; T1139-G1144 WeakPolarHBondContact CG2-O 3.39Å; C1140-G1144 VanDerWaalsContact O-CA 3.32Å; C1140-G1144 WeakPolarHBondContact O-CA 3.4Å; C1140-G1144 PolarHBondContact O-N 2.85Å
1145	S	78	Confident	75.3	Confident	19 Å²	19	61.9 Å²	61.9	13%	0.133	32%	0.319	C	S	.	.			trans	-91.7	147.1	179.3	-59.3	0	0	0	0	111.7	C1140 T1143 I1147	C1140-S1145 WeakPolarHBondContact CB-O 3.3Å; C1140-S1145 PolarHBondContact N-O 2.93Å; T1143-S1145 PolarHBondContact O-N 3.09Å; S1145-I1147 PolarHBondContact O-N 2.99Å
1146	P	78.3	Confident	76.7	Confident	37 Å²	37	63.9 Å²	63.9	24%	0.24	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-64.7	134.6	173.5	29.1	-35	0	0	0	110	L1126 L1137 T1148	L1126-P1146 HydrophobicContact CD1-CG 3.81Å; L1137-P1146 HydrophobicContact CB-CB 4.22Å; P1146-T1148 PolarHBondContact O-N 2.84Å
1147	I	80.3	Confident	77.7	Confident	5 Å²	5	59 Å²	59	3%	0.026	31%	0.305	C	S	.	.			trans	-80.4	105.1	176.3	-59.7	170	0	0	0	107.4	P1138 C1140 S1145 E1149 F1152 L1163	P1138-I1147 HydrophobicContact CG-CB 4.31Å; P1138-I1147 VanDerWaalsContact O-CB 3.31Å; P1138-I1147 WeakPolarHBondContact O-CB 3.48Å; P1138-I1147 WeakPolarHBondContact O-CG1 3.41Å; P1138-I1147 PolarHBondContact O-N 3.41Å; C1140-I1147 HydrophobicContact CB-CD1 4.29Å; C1140-I1147 HydrophobicContact CB-CG1 3.94Å; S1145-I1147 PolarHBondContact O-N 2.99Å; I1147-E1149 WeakPolarHBondContact CG2-O 3.24Å; I1147-F1152 HydrophobicContact CD1-CB 4.2Å; I1147-F1152 HydrophobicContact CD1-CD2 4.32Å; I1147-F1152 HydrophobicContact CD1-CG 4.24Å; I1147-F1152 HydrophobicContact CG2-CB 3.96Å; I1147-F1152 HydrophobicContact CG2-CD1 3.91Å; I1147-F1152 HydrophobicContact CG2-CG 4.09Å; I1147-L1163 HydrophobicContact CB-CD2 4.37Å; I1147-L1163 HydrophobicContact CG1-CD2 4.05Å; I1147-L1163 HydrophobicContact CG1-CG 4.28Å; I1147-L1163 HydrophobicContact CG2-CD2 4.07Å
1148	T	70.1	Confident	78.5	Confident	102 Å²	102	55 Å²	55	63%	0.626	29%	0.285	S	S	*	.			trans	-95.5	-10	173.2	50.7	0	0	0	0	112.4	L1137 P1146	L1137-T1148 HydrophobicContact CD1-CG2 3.96Å; P1146-T1148 PolarHBondContact O-N 2.84Å
1149	E	71	Confident	79.1	Confident	87 Å²	87	58.4 Å²	58.4	41%	0.407	29%	0.293	S	S	.	.	S	Bend	trans	-84.4	141	179.6	-63.7	-178.8	-175	0	0	111.8	I1147 Q1151	I1147-E1149 WeakPolarHBondContact CG2-O 3.24Å; E1149-Q1151 PolarHBondContact O-N 2.83Å
1150	Y	65.8	Low	79.2	Confident	237 Å²	237	59 Å²	59	93%	0.929	29%	0.294	S	S	*	.	S	Bend	trans	-70.8	-15	176.7	-117.4	-87.6	0	0	0	113.4
1151	Q	71.3	Confident	79.1	Confident	153 Å²	153	59.4 Å²	59.4	72%	0.715	30%	0.297	S	S	*	.			trans	-112.2	112.4	180	-69.6	-175.5	-12	0	0	110.5	E1149	E1149-Q1151 PolarHBondContact O-N 2.83Å
1152	F	77.9	Confident	79.1	Confident	79 Å²	79	59.3 Å²	59.3	35%	0.346	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	155	175.4	64.6	-89.3	0	0	0	110.9	I1147 M1154 V1162	I1147-F1152 HydrophobicContact CD1-CB 4.2Å; I1147-F1152 HydrophobicContact CD1-CD2 4.32Å; I1147-F1152 HydrophobicContact CD1-CG 4.24Å; I1147-F1152 HydrophobicContact CG2-CB 3.96Å; I1147-F1152 HydrophobicContact CG2-CD1 3.91Å; I1147-F1152 HydrophobicContact CG2-CG 4.09Å; F1152-M1154 HydrophobicContact CE2-CE 3.8Å; F1152-M1154 HydrophobicContact CZ-CE 4.25Å; F1152-V1162 WeakPolarHBondContact CB-O 3.04Å
1153	W	84.2	Confident	79	Confident	55 Å²	55	60.4 Å²	60.4	21%	0.208	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	140.5	177	176.8	89.9	0	0	0	110.6	C1155 G1161 V1162 I1167 C1173 V1180	W1153-C1155 HydrophobicContact CH2-CB 3.61Å; W1153-C1155 HydrophobicContact CZ2-CB 4.44Å; W1153-C1155 HydrophobicContact CZ3-CB 3.81Å; W1153-G1161 CarbonylContact O-C 3.54Å; W1153-G1161 WeakPolarHBondContact O-CA 3.12Å; W1153-V1162 HydrophobicContact CE3-CB 4.08Å; W1153-V1162 HydrophobicContact CE3-CG2 3.96Å; W1153-V1162 HydrophobicContact CZ3-CG2 4.15Å; W1153-V1162 PolarHBondContact N-O 2.89Å; W1153-V1162 PolarHBondContact O-N 2.74Å; W1153-I1167 HydrophobicContact CB-CB 4.28Å; W1153-I1167 HydrophobicContact CB-CG1 4.16Å; W1153-I1167 HydrophobicContact CB-CG2 4.11Å; W1153-I1167 HydrophobicContact CD2-CD1 3.8Å; W1153-I1167 HydrophobicContact CD2-CG1 3.75Å; W1153-I1167 HydrophobicContact CE3-CD1 3.47Å; W1153-I1167 VanDerWaalsContact CE3-CD1 3.47Å; W1153-I1167 HydrophobicContact CE3-CG1 3.95Å; W1153-I1167 HydrophobicContact CG-CD1 4.4Å; W1153-I1167 HydrophobicContact CG-CG1 3.85Å; W1153-I1167 HydrophobicContact CG-CG2 4.49Å; W1153-I1167 HydrophobicContact CH2-CD1 4.26Å; W1153-I1167 HydrophobicContact CZ3-CD1 3.72Å; W1153-C1173 HydrophobicContact CH2-CB 4.15Å; W1153-V1180 HydrophobicContact CH2-CG2 3.94Å; W1153-V1180 HydrophobicContact CZ2-CB 4.17Å; W1153-V1180 HydrophobicContact CZ2-CG1 3.76Å; W1153-V1180 HydrophobicContact CZ2-CG2 3.96Å
1154	M	84	Confident	78.9	Confident	106 Å²	106	61.7 Å²	61.7	52%	0.522	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.5	178.7	-173	-175.9	-66.3	0	0	110.8	F1152 K1159 H1160	F1152-M1154 HydrophobicContact CE2-CE 3.8Å; F1152-M1154 HydrophobicContact CZ-CE 4.25Å; M1154-K1159 WeakPolarHBondContact CG-O 3.26Å; M1154-K1159 HydrophobicContact SD-CB 4.46Å; M1154-H1160 WeakPolarHBondContact CA-O 3.44Å
1155	C	83.1	Confident	78.8	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.027	34%	0.344	C	S	.	.			trans	-70.2	135.7	179.3	-176.3	0	0	0	0	112.2	W1153 V1157 K1159 H1160 C1173	W1153-C1155 HydrophobicContact CH2-CB 3.61Å; W1153-C1155 HydrophobicContact CZ2-CB 4.44Å; W1153-C1155 HydrophobicContact CZ3-CB 3.81Å; C1155-V1157 VanDerWaalsContact C-N 3.3Å; C1155-V1157 PolarHBondContact O-N 3.44Å; C1155-V1157 PolarHBondContact SG-N 2.91Å; C1155-K1159 WeakPolarHBondContact O-CA 3.4Å; C1155-K1159 PolarHBondContact O-N 2.76Å; C1155-H1160 PolarHBondContact N-O 3.17Å; C1155-C1173 HydrophobicContact CB-CB 4.43Å
1156	S	80.6	Confident	78.8	Confident	106 Å²	106	70.5 Å²	70.5	74%	0.741	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.9	177.6	56.3	0	0	0	0	114.5
1157	V	80.7	Confident	78.9	Confident	40 Å²	40	69.8 Å²	69.8	24%	0.242	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-57.5	-177.7	179.7	0	0	0	0	111.4	L976 W1024 C1155 S1178	L976-V1157 HydrophobicContact CD2-CG1 4.06Å; W1024-V1157 HydrophobicContact CZ2-CG1 4.18Å; C1155-V1157 VanDerWaalsContact C-N 3.3Å; C1155-V1157 PolarHBondContact O-N 3.44Å; C1155-V1157 PolarHBondContact SG-N 2.91Å; V1157-S1178 WeakPolarHBondContact CG2-OG 3.27Å
1158	C	83	Confident	78.7	Confident	5 Å²	5	74 Å²	74	3%	0.034	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-12	-177.6	73	0	0	0	0	114.5	W1024 H1160 L1175 C1176	W1024-C1158 HydrophobicContact CD2-CB 3.75Å; W1024-C1158 HydrophobicContact CE3-CB 3.99Å; W1024-C1158 HydrophobicContact CG-CB 4.29Å; W1024-C1158 HydrophobicContact CH2-CB 4.22Å; W1024-C1158 HydrophobicContact CZ2-CB 3.97Å; W1024-C1158 HydrophobicContact CZ3-CB 4.21Å; C1158-H1160 VanDerWaalsContact C-N 3.27Å; C1158-H1160 PolarHBondContact O-CE1 2.84Å; C1158-H1160 VanDerWaalsContact O-CE1 3.25Å; C1158-H1160 PolarHBondContact O-N 2.89Å; C1158-H1160 PolarHBondContact O-ND1 3.21Å; C1158-H1160 PolarHBondContact SG-ND1 2.96Å; C1158-H1160 VanDerWaalsContact SG-ND1 3.4Å; C1158-L1175 HydrophobicContact CB-CD2 4.22Å; C1158-C1176 HydrophobicContact CB-CB 3.94Å
1159	K	82.5	Confident	79.1	Confident	136 Å²	136	76.1 Å²	76.1	59%	0.591	38%	0.379	S	S	*	.			trans	64.8	17.1	-179.6	-52.6	178.8	-174	166.6	0	116.3	M1154 C1155	M1154-K1159 WeakPolarHBondContact CG-O 3.26Å; M1154-K1159 HydrophobicContact SD-CB 4.46Å; C1155-K1159 WeakPolarHBondContact O-CA 3.4Å; C1155-K1159 PolarHBondContact O-N 2.76Å
1160	H	84.4	Confident	79.5	Confident	40 Å²	40	76.5 Å²	76.5	19%	0.185	38%	0.378	C	S	.	.			trans	-90.7	149.9	175.4	-62.4	81.1	0	0	0	113.8	E1028 V1141 M1154 C1155 C1158 L1175	E1028-H1160 IonicContact OE1-CD2 3.57Å; E1028-H1160 IonicContact OE1-CE1 3.37Å; E1028-H1160 PolarHBondContact OE1-CE1 2.88Å; E1028-H1160 IonicContact OE1-NE2 3.49Å; E1028-H1160 PolarHBondContact OE1-NE2 3.19Å; E1028-H1160 IonicContact OE2-CD2 2.75Å; E1028-H1160 IonicContact OE2-NE2 3.33Å; E1028-H1160 PolarHBondContact OE2-NE2 2.74Å; V1141-H1160 HydrophobicContact CG2-CB 3.47Å; V1141-H1160 VanDerWaalsContact CG2-CB 3.47Å; M1154-H1160 WeakPolarHBondContact CA-O 3.44Å; C1155-H1160 PolarHBondContact N-O 3.17Å; C1158-H1160 VanDerWaalsContact C-N 3.27Å; C1158-H1160 PolarHBondContact O-CE1 2.84Å; C1158-H1160 VanDerWaalsContact O-CE1 3.25Å; C1158-H1160 PolarHBondContact O-N 2.89Å; C1158-H1160 PolarHBondContact O-ND1 3.21Å; C1158-H1160 PolarHBondContact SG-ND1 2.96Å; C1158-H1160 VanDerWaalsContact SG-ND1 3.4Å; H1160-L1175 HydrophobicContact CB-CD2 4.37Å; H1160-L1175 VanDerWaalsContact ND1-CD2 3.27Å; H1160-L1175 WeakPolarHBondContact ND1-CD2 3.43Å
1161	G	82.6	Confident	80.4	Confident	7 Å²	7	69.6 Å²	69.6	7%	0.072	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	146.2	-175.3	0	0	0	0	0	114.9	V1141 W1153	V1141-G1161 PolarHBondContact N-O 2.81Å; W1153-G1161 CarbonylContact O-C 3.54Å; W1153-G1161 WeakPolarHBondContact O-CA 3.12Å
1162	V	82.7	Confident	81	Confident	1 Å²	1	67.9 Å²	67.9	1%	0.006	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138.7	171.3	-177.3	0	0	0	0	108.7	V1141 A1142 F1152 W1153 A1164 E1166 I1167	V1141-V1162 HydrophobicContact CB-CG2 4.18Å; A1142-V1162 HydrophobicContact CB-CG1 3.77Å; F1152-V1162 WeakPolarHBondContact CB-O 3.04Å; W1153-V1162 HydrophobicContact CE3-CB 4.08Å; W1153-V1162 HydrophobicContact CE3-CG2 3.96Å; W1153-V1162 HydrophobicContact CZ3-CG2 4.15Å; W1153-V1162 PolarHBondContact N-O 2.89Å; W1153-V1162 PolarHBondContact O-N 2.74Å; V1162-A1164 PolarHBondContact O-N 3Å; V1162-E1166 HydrophobicContact CG1-CB 4.14Å; V1162-I1167 HydrophobicContact CB-CB 4.49Å; V1162-I1167 HydrophobicContact CB-CD1 4.18Å; V1162-I1167 HydrophobicContact CG1-CB 4.08Å; V1162-I1167 HydrophobicContact CG1-CD1 4.15Å; V1162-I1167 HydrophobicContact CG2-CD1 4.3Å
1163	L	81.9	Confident	81.4	Confident	29 Å²	29	64.2 Å²	64.2	15%	0.152	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	135.7	174.9	-72.6	165.6	0	0	0	110.4	C1140 I1147 Q1165 E1166 I1167	C1140-L1163 HydrophobicContact CB-CD1 4.1Å; C1140-L1163 HydrophobicContact CB-CG 3.95Å; C1140-L1163 PolarHBondContact SG-N 3.25Å; I1147-L1163 HydrophobicContact CB-CD2 4.37Å; I1147-L1163 HydrophobicContact CG1-CD2 4.05Å; I1147-L1163 HydrophobicContact CG1-CG 4.28Å; I1147-L1163 HydrophobicContact CG2-CD2 4.07Å; L1163-Q1165 PolarHBondContact O-N 3.46Å; L1163-Q1165 VanDerWaalsContact O-N 3.15Å; L1163-E1166 HydrophobicContact CB-CB 4.3Å; L1163-E1166 HydrophobicContact CB-CG 4.09Å; L1163-E1166 PolarHBondContact O-N 3.23Å; L1163-I1167 PolarHBondContact O-N 2.98Å
1164	A	76.4	Confident	81.3	Confident	46 Å²	46	62.5 Å²	62.5	38%	0.38	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-26.1	-172.4	0	0	0	0	0	113.6	V1162 I1167	V1162-A1164 PolarHBondContact O-N 3Å; A1164-I1167 WeakPolarHBondContact O-CG2 3.32Å
1165	Q	76.3	Confident	81.4	Confident	138 Å²	138	57.5 Å²	57.5	65%	0.645	31%	0.31	S	S	*	.	H	α-helix	trans	-76.6	-28	175.8	-61.5	178.7	6.7	0	0	112.8	L1163 S1168	L1163-Q1165 PolarHBondContact O-N 3.46Å; L1163-Q1165 VanDerWaalsContact O-N 3.15Å; Q1165-S1168 PolarHBondContact O-OG 2.82Å; Q1165-S1168 VanDerWaalsContact O-OG 3.11Å
1166	E	77.6	Confident	81.5	Confident	68 Å²	68	57.7 Å²	57.7	32%	0.318	31%	0.311	S	S	.	.	H	α-helix	trans	-86.7	-31.8	-175.3	-68.8	-70.6	166.6	0	0	111.9	A1142 T1143 V1162 L1163 S1168 H1169 Y1170	A1142-E1166 HydrophobicContact CB-CB 4.4Å; T1143-E1166 HydrophobicContact CG2-CG 3.64Å; V1162-E1166 HydrophobicContact CG1-CB 4.14Å; L1163-E1166 HydrophobicContact CB-CB 4.3Å; L1163-E1166 HydrophobicContact CB-CG 4.09Å; L1163-E1166 PolarHBondContact O-N 3.23Å; E1166-S1168 PolarHBondContact O-N 2.8Å; E1166-H1169 WeakPolarHBondContact O-CB 3.49Å; E1166-H1169 PolarHBondContact O-N 2.77Å; E1166-Y1170 WeakPolarHBondContact O-CD2 3.47Å
1167	I	80.4	Confident	81.6	Confident	22 Å²	22	58.1 Å²	58.1	11%	0.113	30%	0.301	C	S	.	.	H	α-helix	trans	-63.4	-28.6	-175.5	-166	62.6	0	0	0	113.1	W1153 V1162 L1163 A1164 H1169 Y1170 V1180	W1153-I1167 HydrophobicContact CB-CB 4.28Å; W1153-I1167 HydrophobicContact CB-CG1 4.16Å; W1153-I1167 HydrophobicContact CB-CG2 4.11Å; W1153-I1167 HydrophobicContact CD2-CD1 3.8Å; W1153-I1167 HydrophobicContact CD2-CG1 3.75Å; W1153-I1167 HydrophobicContact CE3-CD1 3.47Å; W1153-I1167 VanDerWaalsContact CE3-CD1 3.47Å; W1153-I1167 HydrophobicContact CE3-CG1 3.95Å; W1153-I1167 HydrophobicContact CG-CD1 4.4Å; W1153-I1167 HydrophobicContact CG-CG1 3.85Å; W1153-I1167 HydrophobicContact CG-CG2 4.49Å; W1153-I1167 HydrophobicContact CH2-CD1 4.26Å; W1153-I1167 HydrophobicContact CZ3-CD1 3.72Å; V1162-I1167 HydrophobicContact CB-CB 4.49Å; V1162-I1167 HydrophobicContact CB-CD1 4.18Å; V1162-I1167 HydrophobicContact CG1-CB 4.08Å; V1162-I1167 HydrophobicContact CG1-CD1 4.15Å; V1162-I1167 HydrophobicContact CG2-CD1 4.3Å; L1163-I1167 PolarHBondContact O-N 2.98Å; A1164-I1167 WeakPolarHBondContact O-CG2 3.32Å; I1167-H1169 PolarHBondContact O-N 2.86Å; I1167-H1169 VanDerWaalsContact O-N 3.1Å; I1167-Y1170 PolarHBondContact O-N 2.83Å; I1167-V1180 HydrophobicContact CD1-CG1 4.32Å; I1167-V1180 HydrophobicContact CD1-CG2 3.92Å; I1167-V1180 HydrophobicContact CG1-CG1 4.08Å
1168	S	76.8	Confident	81.7	Confident	94 Å²	94	57.1 Å²	57.1	66%	0.657	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.5	176	47.9	0	0	0	0	113.8	Q1165 E1166	Q1165-S1168 PolarHBondContact O-OG 2.82Å; Q1165-S1168 VanDerWaalsContact O-OG 3.11Å; E1166-S1168 PolarHBondContact O-N 2.8Å
1169	H	79	Confident	81.6	Confident	145 Å²	145	61.2 Å²	61.2	67%	0.671	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-5.3	176.4	-64.9	-69.6	0	0	0	113.7	E1166 I1167	E1166-H1169 WeakPolarHBondContact O-CB 3.49Å; E1166-H1169 PolarHBondContact O-N 2.77Å; I1167-H1169 PolarHBondContact O-N 2.86Å; I1167-H1169 VanDerWaalsContact O-N 3.1Å
1170	Y	79.3	Confident	81.3	Confident	95 Å²	95	56.7 Å²	56.7	37%	0.373	31%	0.306	S	S	.	.			trans	-125.5	127.2	-174.6	-65.8	-86.8	0	0	0	112.8	A1142 E1166 I1167 P1174	A1142-Y1170 HydrophobicContact CB-CE2 3.9Å; E1166-Y1170 WeakPolarHBondContact O-CD2 3.47Å; I1167-Y1170 PolarHBondContact O-N 2.83Å; Y1170-P1174 HydrophobicContact CD1-CG 4.15Å; Y1170-P1174 HydrophobicContact CE1-CG 4.41Å; Y1170-P1174 HydrophobicContact CG-CG 4.24Å
1171	S	83.6	Confident	80.1	Confident	93 Å²	93	61.8 Å²	61.8	65%	0.65	36%	0.355	S	S	*	.	S	Bend	trans	-81.5	-16.3	172.8	-47.6	0	0	0	0	113.9	V1180	S1171-V1180 PolarHBondContact O-N 3.35Å
1172	F	84.9	Confident	80	Confident	117 Å²	117	64.5 Å²	64.5	51%	0.513	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-134.4	149.6	-178.2	-62.2	-85	0	0	0	110.1	P1174 H1177 S1178 P1179	F1172-P1174 WeakPolarHBondContact O-CD 3.17Å; F1172-H1177 VanDerWaalsContact CD1-O 3.28Å; F1172-H1177 WeakPolarHBondContact CD1-O 3.42Å; F1172-S1178 CarbonylContact C-O 3.56Å; F1172-S1178 WeakPolarHBondContact CA-O 3.43Å; F1172-P1179 HydrophobicContact CD1-CB 4.18Å; F1172-P1179 HydrophobicContact CE1-CB 4.12Å
1173	C	85.3	Confident	79.9	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.014	39%	0.389	C	S	.	.			trans	-55.9	125.3	173.1	179.2	0	0	0	0	110	W1153 C1155 L1175 C1176 H1177 S1178	W1153-C1173 HydrophobicContact CH2-CB 4.15Å; C1155-C1173 HydrophobicContact CB-CB 4.43Å; C1173-L1175 PolarHBondContact O-N 2.91Å; C1173-L1175 VanDerWaalsContact O-N 3.13Å; C1173-C1176 VanDerWaalsContact CB-SG 3.57Å; C1173-C1176 VanDerWaalsContact SG-SG 3.64Å; C1173-H1177 WeakPolarHBondContact O-CA 3.49Å; C1173-H1177 PolarHBondContact O-N 2.83Å; C1173-S1178 PolarHBondContact N-O 3.31Å
1174	P	82.9	Confident	79.8	Confident	18 Å²	18	70 Å²	70	12%	0.117	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.6	-177.2	-21.5	31.5	0	0	0	114.4	K968 H1031 V1141 A1142 Y1170 F1172	K968-P1174 PolarHBondContact NZ-O 2.85Å; H1031-P1174 PolarHBondContact CE1-O 2.81Å; V1141-P1174 HydrophobicContact CG1-CB 4.01Å; A1142-P1174 HydrophobicContact CB-CG 4.37Å; Y1170-P1174 HydrophobicContact CD1-CG 4.15Å; Y1170-P1174 HydrophobicContact CE1-CG 4.41Å; Y1170-P1174 HydrophobicContact CG-CG 4.24Å; F1172-P1174 WeakPolarHBondContact O-CD 3.17Å
1175	L	85.6	Confident	80	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.005	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-65.3	178.3	-176	63.2	0	0	0	112.5	K968 W1024 A1027 E1028 H1031 V1141 C1158 H1160 C1173 H1177	K968-L1175 VanDerWaalsContact CE-O 3.28Å; K968-L1175 WeakPolarHBondContact CE-O 3.49Å; K968-L1175 PolarHBondContact NZ-O 2.92Å; W1024-L1175 HydrophobicContact CE3-CD2 4.35Å; W1024-L1175 HydrophobicContact CE3-CG 4.42Å; A1027-L1175 HydrophobicContact CB-CD1 4.23Å; E1028-L1175 HydrophobicContact CG-CD1 4.13Å; E1028-L1175 HydrophobicContact CG-CD2 3.71Å; H1031-L1175 HydrophobicContact CB-CD1 3.8Å; V1141-L1175 HydrophobicContact CG1-CB 3.79Å; C1158-L1175 HydrophobicContact CB-CD2 4.22Å; H1160-L1175 HydrophobicContact CB-CD2 4.37Å; H1160-L1175 VanDerWaalsContact ND1-CD2 3.27Å; H1160-L1175 WeakPolarHBondContact ND1-CD2 3.43Å; C1173-L1175 PolarHBondContact O-N 2.91Å; C1173-L1175 VanDerWaalsContact O-N 3.13Å; L1175-H1177 PolarHBondContact O-CD2 3.1Å
1176	C	84.6	Confident	80.2	Confident	8 Å²	8	67.3 Å²	67.3	5%	0.054	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-8.2	-173	66.6	0	0	0	0	114.7	W1024 C1158 C1173 S1178	W1024-C1176 HydrophobicContact CE3-CB 4.41Å; W1024-C1176 HydrophobicContact CH2-CB 3.36Å; W1024-C1176 HydrophobicContact CZ2-CB 4.29Å; W1024-C1176 HydrophobicContact CZ3-CB 3.42Å; W1024-C1176 VanDerWaalsContact CZ3-CB 3.42Å; C1158-C1176 HydrophobicContact CB-CB 3.94Å; C1173-C1176 VanDerWaalsContact CB-SG 3.57Å; C1173-C1176 VanDerWaalsContact SG-SG 3.64Å; C1176-S1178 PolarHBondContact O-N 3.12Å; C1176-S1178 VanDerWaalsContact O-N 3.16Å; C1176-S1178 PolarHBondContact SG-OG 3.16Å
1177	H	84.1	Confident	80.4	Confident	115 Å²	115	67.2 Å²	67.2	53%	0.532	39%	0.393	S	S	.	.			trans	62.4	15.1	-179.2	-60.8	-143.8	0	0	0	114.3	F1172 C1173 L1175	F1172-H1177 VanDerWaalsContact CD1-O 3.28Å; F1172-H1177 WeakPolarHBondContact CD1-O 3.42Å; C1173-H1177 WeakPolarHBondContact O-CA 3.49Å; C1173-H1177 PolarHBondContact O-N 2.83Å; L1175-H1177 PolarHBondContact O-CD2 3.1Å
1178	S	82.4	Confident	80.4	Confident	20 Å²	20	70.4 Å²	70.4	14%	0.14	41%	0.412	C	S	.	.			trans	-65.8	145.4	167.8	-56.8	0	0	0	0	110.3	V1157 F1172 C1173 C1176 V1180	V1157-S1178 WeakPolarHBondContact CG2-OG 3.27Å; F1172-S1178 CarbonylContact C-O 3.56Å; F1172-S1178 WeakPolarHBondContact CA-O 3.43Å; C1173-S1178 PolarHBondContact N-O 3.31Å; C1176-S1178 PolarHBondContact O-N 3.12Å; C1176-S1178 VanDerWaalsContact O-N 3.16Å; C1176-S1178 PolarHBondContact SG-OG 3.16Å; S1178-V1180 PolarHBondContact O-N 3.19Å
1179	P	80.4	Confident	80.6	Confident	91 Å²	91	68.6 Å²	68.6	59%	0.591	39%	0.394	S	S	*	.	B	Isolated β-bridge	trans	-60.8	136.5	-179.6	24.8	-32.9	0	0	0	110.9	F1172 A1181	F1172-P1179 HydrophobicContact CD1-CB 4.18Å; F1172-P1179 HydrophobicContact CE1-CB 4.12Å; P1179-A1181 PolarHBondContact O-N 3.45Å
1180	V	76.9	Confident	80.8	Confident	40 Å²	40	62.3 Å²	62.3	24%	0.242	37%	0.371	C	S	.	.			trans	-73	113.6	170.7	179.3	0	0	0	0	106.4	W1153 I1167 S1171 S1178	W1153-V1180 HydrophobicContact CH2-CG2 3.94Å; W1153-V1180 HydrophobicContact CZ2-CB 4.17Å; W1153-V1180 HydrophobicContact CZ2-CG1 3.76Å; W1153-V1180 HydrophobicContact CZ2-CG2 3.96Å; I1167-V1180 HydrophobicContact CD1-CG1 4.32Å; I1167-V1180 HydrophobicContact CD1-CG2 3.92Å; I1167-V1180 HydrophobicContact CG1-CG1 4.08Å; S1171-V1180 PolarHBondContact O-N 3.35Å; S1178-V1180 PolarHBondContact O-N 3.19Å
1181	A	59.4	Low	80.9	Confident	147 Å²	147	59.3 Å²	59.3	100%	1.215	37%	0.37	S	S	*	.			trans	-82.7	0	179.2	0	0	0	0	0	111.6	P1179	P1179-A1181 PolarHBondContact O-N 3.45Å

Retrieved 1,181 of 1,181 residues in 359.7 ms (Link to these results)

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