A0A087Y9J5_POEFO Loading...

Iron-responsive element-binding protein 2

RNA-binding protein that binds to iron-responsive elements (IRES), which are stem-loop structures found in the 5'-UTR of ferritin, and delta aminolevulinic acid synthase mRNAs, and in the 3'-UTR of transferrin receptor mRNA. Binding to the IRE element in ferritin results in the repression of its mRNA translation. Binding of the protein to the transferrin receptor mRNA inhibits the degradation of this otherwise rapidly degraded mRNA.

AlphaFold DB , UniProt , Accession A0A087Y9J5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 987 aa.

						>A0A087Y9J5_POEFO|A0A087Y9J5
MALNATIKEHPYAHLIDTLPDGIKFYNPRKLGDPRYDKLPLSIRILLEAAIRNCDGFYTKEEDVQNILDWQQQQEKAAVPFSPARVLLQDFTGIPAMVDLAAMRDAVAKHGVDPDLVNPKCPTDLIVDHSLQIDYSKCAIQNAPNPGGGDSSNQSQPPPRSTAARPPSRGGSHCGGQRGSCSKAACSDPPASSGRPTSVQQIENTPLLCPFHLQPVSEVETALKNQEMELQRNKERLHFFKWCSKAFKNVNVVPPDVGTIHQVNLEYLSRVVQVSDGLIYPDSVVGTDSHTTMINGLGILGWGVGGIESEAVMLGQPVSLTLPQVMGCKLVGSINPLATSIDIVLGITKHLRQAGISGKFVEFFGPGVSQLSAPDRTTIANMCPEYNATVSFFPVDHVTLKHFKKTNFTDEKLELLESYMKAVNLFRSYEESSEDPQFSEVIEINLSSMVPHVSGPKRPQDRVAISSMKDDFQSCLNEKVGFKGFHISKEKQDVRIPFLHGGQEYQLAHGSVVIAAVISCTNNCNPSVMLTAGLMAKKAVEAGLVVKPYIRTSLAPGSGMVTHYLNASGVLPYFNQLGFEVIGYGCATCVGNTAPLPEAVVDAIKKGDLVACGVLSGNRHFEGRLCDCVRANYLASPPLVVAYAIAGTVGIDFEKEPLGWTSEGKEVYLRDIWPSREEVQQTEEDTVISAIFKDLRRRLEKGNTFWNKIECPDSVVFPWDHKSTYIRSPPFFSKLSKDIPPPQSIENAHALLFLGDKVTTDHISPAGSISRVSAAAKYLQSKRLTPREFNSYGARRGNDAVMTRGTFASIKLHNRFIGKPGPKTLHIPSGQTLDVFEAADRYQRDGTPLIILAGKDYGSGNSRDWVAKGPYLLGVRAVIAESFEKLHKSQLVGMGIMPLQFVSGQNADTLELSGKERFSVALPESLRPRQQLTVRTSKGTSFSVTALFDSEVDVIFFQHGGLLRFVARTVVENGPAAAAGEQQLTSV
					

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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	32.9	Very low	50.8	Low	251 Å²	251	129.8 Å²	129.8	100%	1.236	71%	0.705	S	S	*	*				0	81.8	0	-75	-179.1	174.6	0	0	110
2	A	32.6	Very low	54.4	Low	71 Å²	71	121 Å²	121	59%	0.587	65%	0.654	S	S	*	*			trans	-145.6	34	168	0	0	0	0	0	109.6	F57	A2-F57 HydrophobicContact CB-CD2 4.43Å; A2-F57 HydrophobicContact CB-CE2 4.46Å
3	L	39.8	Very low	57.4	Low	110 Å²	110	113.9 Å²	113.9	58%	0.576	62%	0.622	S	S	*	*			trans	-134.6	48.4	-164.8	-85.2	163.3	0	0	0	110.1
4	N	29	Very low	60	Low	168 Å²	168	114.6 Å²	114.6	90%	0.898	62%	0.619	S	S	*	*			trans	-158.4	27.6	169.5	-105.9	-12	0	0	0	111.4	T6	N4-T6 PolarHBondContact O-N 3.37Å
5	A	34.5	Very low	62.4	Low	84 Å²	84	107 Å²	107	69%	0.694	58%	0.577	S	S	*	*			trans	-77.2	111.3	162.2	0	0	0	0	0	107.3
6	T	35.2	Very low	64.5	Low	121 Å²	121	103.9 Å²	103.9	74%	0.742	56%	0.56	S	S	*	*			trans	-41.9	141.3	148.1	4.2	0	0	0	0	108.2	N4 K8	N4-T6 PolarHBondContact O-N 3.37Å; T6-K8 VanDerWaalsContact C-N 3.3Å; T6-K8 PolarHBondContact O-N 3.29Å
7	I	40.4	Very low	66.3	Low	177 Å²	177	100.7 Å²	100.7	91%	0.908	54%	0.542	S	S	*	.			trans	-53.8	98	177.9	-58.4	173.9	0	0	0	108
8	K	55.2	Low	67.9	Low	180 Å²	180	99.4 Å²	99.4	78%	0.783	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-79.4	127.6	175.1	-86	-171.2	170.5	-171.1	0	106.1	T6 H10	T6-K8 VanDerWaalsContact C-N 3.3Å; T6-K8 PolarHBondContact O-N 3.29Å; K8-H10 PolarHBondContact O-N 3.11Å
9	E	77.5	Confident	69.2	Low	169 Å²	169	94.8 Å²	94.8	79%	0.79	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-53.9	133.3	167.5	-166.3	168.3	-163.1	0	0	108.7	A13	E9-A13 HydrophobicContact CG-CB 4.43Å
10	H	89.6	Confident	69.7	Low	49 Å²	49	96.2 Å²	96.2	23%	0.227	53%	0.528	C	S	.	.	P	Polyproline II helix	trans	-58.6	127.4	-173.6	175.8	-87.6	0	0	0	109.7	K8 Y12 A13 Y26 I51 C54	K8-H10 PolarHBondContact O-N 3.11Å; H10-Y12 PolarHBondContact ND1-N 3.41Å; H10-Y12 PolarHBondContact O-N 3.45Å; H10-A13 HydrophobicContact CB-CB 4.37Å; H10-A13 WeakPolarHBondContact O-CB 3.31Å; H10-A13 PolarHBondContact O-N 2.93Å; H10-Y26 AromaticContact CE1-CE1 3.58Å; H10-Y26 AromaticContact CE1-CZ 3.67Å; H10-Y26 PolarHBondContact CE1-OH 2.89Å; H10-Y26 AromaticContact ND1-CE1 3.76Å; H10-Y26 AromaticContact ND1-CZ 3.94Å; H10-Y26 PolarHBondContact ND1-OH 2.83Å; H10-I51 PolarHBondContact CE1-O 3.3Å; H10-I51 PolarHBondContact NE2-O 3.1Å; H10-C54 PolarHBondContact CD2-O 2.95Å
11	P	92.1	Very high	70.1	Confident	48 Å²	48	97 Å²	97	31%	0.312	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-36.7	-167	-29.5	35.2	0	0	0	114.1	H14 E61	P11-H14 PolarHBondContact O-CE1 3.17Å; P11-H14 VanDerWaalsContact O-CE1 3.25Å; P11-H14 PolarHBondContact O-ND1 3.39Å; P11-E61 HydrophobicContact CB-CG 4.04Å; P11-E61 HydrophobicContact CG-CG 4.24Å
12	Y	94.3	Very high	72.6	Confident	24 Å²	24	87.3 Å²	87.3	9%	0.094	50%	0.496	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	17	-179.8	-58	-72.1	0	0	0	114.8	H10 H14 L15 Y26 L31 I51 C54 E61 V64	H10-Y12 PolarHBondContact ND1-N 3.41Å; H10-Y12 PolarHBondContact O-N 3.45Å; Y12-H14 PolarHBondContact O-N 3.19Å; Y12-H14 VanDerWaalsContact O-N 3.14Å; Y12-L15 HydrophobicContact CD1-CD1 3.79Å; Y12-L15 HydrophobicContact CD1-CG 4.39Å; Y12-L15 HydrophobicContact CG-CD1 4.2Å; Y12-L15 WeakPolarHBondContact O-CB 3.11Å; Y12-L15 PolarHBondContact O-N 2.61Å; Y12-Y26 WeakPolarHBondContact O-CE1 3.47Å; Y12-L31 HydrophobicContact CE1-CD2 4.42Å; Y12-I51 HydrophobicContact CD2-CG2 4.33Å; Y12-I51 HydrophobicContact CG-CG2 4.04Å; Y12-C54 HydrophobicContact CD2-CB 3.84Å; Y12-C54 HydrophobicContact CE2-CB 3.9Å; Y12-E61 HydrophobicContact CE2-CG 4.33Å; Y12-V64 HydrophobicContact CE1-CG1 4.28Å; Y12-V64 HydrophobicContact CE2-CB 4.14Å; Y12-V64 HydrophobicContact CE2-CG1 4.11Å; Y12-V64 HydrophobicContact CE2-CG2 3.77Å; Y12-V64 WeakPolarHBondContact OH-CB 3.44Å
13	A	92.9	Very high	75.5	Confident	29 Å²	29	85.7 Å²	85.7	24%	0.24	48%	0.477	C	S	.	.	G	3₁₀ helix	trans	-55.9	-30.6	177.7	0	0	0	0	0	112.9	E9 H10 L15 I16	E9-A13 HydrophobicContact CG-CB 4.43Å; H10-A13 HydrophobicContact CB-CB 4.37Å; H10-A13 WeakPolarHBondContact O-CB 3.31Å; H10-A13 PolarHBondContact O-N 2.93Å; A13-L15 PolarHBondContact O-N 3.01Å; A13-I16 HydrophobicContact CB-CD1 4.48Å; A13-I16 WeakPolarHBondContact O-CB 3.21Å; A13-I16 VanDerWaalsContact O-CG1 3.29Å; A13-I16 WeakPolarHBondContact O-CG1 3.34Å; A13-I16 PolarHBondContact O-N 3.37Å; A13-I16 VanDerWaalsContact O-N 3.12Å
14	H	94.3	Very high	78.1	Confident	124 Å²	124	85.6 Å²	85.6	57%	0.574	47%	0.472	S	S	*	.	G	3₁₀ helix	trans	-65.3	-18.1	174.9	66.5	-89.6	0	0	0	114.3	P11 Y12 I16	P11-H14 PolarHBondContact O-CE1 3.17Å; P11-H14 VanDerWaalsContact O-CE1 3.25Å; P11-H14 PolarHBondContact O-ND1 3.39Å; Y12-H14 PolarHBondContact O-N 3.19Å; Y12-H14 VanDerWaalsContact O-N 3.14Å; H14-I16 VanDerWaalsContact C-N 3.31Å
15	L	96	Very high	81.4	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-83	-7.1	174.4	-57.1	-175.6	0	0	0	113	Y12 A13 D17 Y26 N27 K30 L31 I51	Y12-L15 HydrophobicContact CD1-CD1 3.79Å; Y12-L15 HydrophobicContact CD1-CG 4.39Å; Y12-L15 HydrophobicContact CG-CD1 4.2Å; Y12-L15 WeakPolarHBondContact O-CB 3.11Å; Y12-L15 PolarHBondContact O-N 2.61Å; A13-L15 PolarHBondContact O-N 3.01Å; L15-D17 PolarHBondContact O-N 3.05Å; L15-Y26 HydrophobicContact CB-CD1 4.37Å; L15-N27 PolarHBondContact O-N 3.43Å; L15-K30 HydrophobicContact CD2-CB 3.62Å; L15-L31 HydrophobicContact CD1-CD2 3.77Å; L15-L31 HydrophobicContact CD1-CG 3.92Å; L15-L31 HydrophobicContact CD2-CD2 4.12Å; L15-L31 HydrophobicContact CD2-CG 4.17Å; L15-I51 HydrophobicContact CD1-CD1 4.24Å; L15-I51 HydrophobicContact CD1-CG2 3.96Å
16	I	95.7	Very high	84.4	Confident	57 Å²	57	74.7 Å²	74.7	29%	0.292	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	136.1	-180	-63.7	172	0	0	0	109.4	A13 H14 K24 F25 Y26 K30	A13-I16 HydrophobicContact CB-CD1 4.48Å; A13-I16 WeakPolarHBondContact O-CB 3.21Å; A13-I16 VanDerWaalsContact O-CG1 3.29Å; A13-I16 WeakPolarHBondContact O-CG1 3.34Å; A13-I16 PolarHBondContact O-N 3.37Å; A13-I16 VanDerWaalsContact O-N 3.12Å; H14-I16 VanDerWaalsContact C-N 3.31Å; I16-K24 HydrophobicContact CG2-CB 4.14Å; I16-K24 HydrophobicContact CG2-CD 4.24Å; I16-K24 HydrophobicContact CG2-CG 4.39Å; I16-F25 CarbonylContact C-O 3.55Å; I16-F25 WeakPolarHBondContact CA-O 3.5Å; I16-Y26 HydrophobicContact CD1-CE1 4.11Å; I16-Y26 HydrophobicContact CG1-CD1 3.97Å; I16-Y26 HydrophobicContact CG1-CE1 3.68Å; I16-K30 PolarHBondContact O-NZ 3.05Å
17	D	95.7	Very high	87.3	Confident	50 Å²	50	69.7 Å²	69.7	27%	0.267	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	168.4	179.9	-144.7	6.8	0	0	0	109.4	L15 K24 F25 N27 K30	L15-D17 PolarHBondContact O-N 3.05Å; D17-K24 CarbonylContact O-C 3.52Å; D17-K24 VanDerWaalsContact O-CA 3.24Å; D17-K24 WeakPolarHBondContact O-CA 3.05Å; D17-F25 HydrophobicContact CB-CD1 4.23Å; D17-F25 HydrophobicContact CB-CE1 3.73Å; D17-F25 HydrophobicContact CB-CE2 4.25Å; D17-F25 HydrophobicContact CB-CZ 3.74Å; D17-F25 PolarHBondContact N-O 3Å; D17-F25 PolarHBondContact O-N 2.98Å; D17-N27 HydrophobicContact CB-CB 3.77Å; D17-N27 PolarHBondContact OD2-ND2 3.13Å; D17-K30 WeakPolarHBondContact OD1-CE 3.24Å; D17-K30 IonicContact OD1-NZ 3.98Å; D17-K30 PolarHBondContact OD1-NZ 2.99Å; D17-K30 WeakPolarHBondContact OD2-CE 3.27Å; D17-K30 IonicContact OD2-NZ 3.91Å; D17-K30 PolarHBondContact OD2-NZ 2.74Å
18	T	94.8	Very high	89.9	Confident	77 Å²	77	61.3 Å²	61.3	47%	0.472	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	129.4	-175.2	-49.3	0	0	0	0	110.2
19	L	92.3	Very high	91.7	Very high	12 Å²	12	58.9 Å²	58.9	6%	0.063	31%	0.313	C	S	.	.			trans	-73.5	163.3	172.1	-66.8	176.8	0	0	0	110.5	D21 G22 I23 F25 I279 L415 Y419 A422	L19-D21 PolarHBondContact O-N 3.21Å; L19-G22 PolarHBondContact O-N 2.9Å; L19-I23 PolarHBondContact N-O 2.91Å; L19-F25 HydrophobicContact CD2-CD1 4.08Å; L19-F25 HydrophobicContact CD2-CE1 3.56Å; L19-F25 HydrophobicContact CD2-CZ 4.14Å; L19-F25 HydrophobicContact CG-CD1 3.79Å; L19-F25 HydrophobicContact CG-CE1 3.73Å; L19-I279 HydrophobicContact CD1-CG2 3.8Å; L19-L415 HydrophobicContact CD1-CD1 3.66Å; L19-Y419 HydrophobicContact CD1-CD2 4.35Å; L19-A422 HydrophobicContact CD2-CB 4.23Å
20	P	80.4	Confident	92.5	Very high	123 Å²	123	55.4 Å²	55.4	80%	0.799	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-33.2	179.8	-29.7	37.2	0	0	0	114.5	G22	P20-G22 PolarHBondContact O-N 3.2Å
21	D	76.4	Confident	92.7	Very high	112 Å²	112	55.4 Å²	55.4	60%	0.599	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	8.8	-178.7	-47.4	-45.7	0	0	0	114.2	L19 I23	L19-D21 PolarHBondContact O-N 3.21Å; D21-I23 VanDerWaalsContact C-N 3.26Å; D21-I23 PolarHBondContact O-N 2.81Å
22	G	85.8	Confident	92.7	Very high	49 Å²	49	56.4 Å²	56.4	51%	0.505	32%	0.315	S	S	.	.	S	Bend	trans	80.6	-2.9	179.5	0	0	0	0	0	115.3	L19 P20	L19-G22 PolarHBondContact O-N 2.9Å; P20-G22 PolarHBondContact O-N 3.2Å
23	I	93	Very high	92.6	Very high	36 Å²	36	57.2 Å²	57.2	19%	0.185	32%	0.321	C	S	.	.			trans	-74.4	133.1	176.8	-56.6	175.5	0	0	0	109.6	L19 D21 V274 I279 L415	L19-I23 PolarHBondContact N-O 2.91Å; D21-I23 VanDerWaalsContact C-N 3.26Å; D21-I23 PolarHBondContact O-N 2.81Å; I23-V274 HydrophobicContact CG2-CG1 4.44Å; I23-I279 HydrophobicContact CG2-CB 3.79Å; I23-I279 HydrophobicContact CG2-CG2 3.71Å; I23-L415 HydrophobicContact CD1-CD1 3.98Å; I23-L415 HydrophobicContact CD1-CD2 3.74Å
24	K	96.3	Very high	92.6	Very high	109 Å²	109	60.1 Å²	60.1	47%	0.474	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	154	-176.2	-65.8	177.6	-177.3	176.8	0	111.9	I16 D17 G277 L278 I279	I16-K24 HydrophobicContact CG2-CB 4.14Å; I16-K24 HydrophobicContact CG2-CD 4.24Å; I16-K24 HydrophobicContact CG2-CG 4.39Å; D17-K24 CarbonylContact O-C 3.52Å; D17-K24 VanDerWaalsContact O-CA 3.24Å; D17-K24 WeakPolarHBondContact O-CA 3.05Å; K24-G277 PolarHBondContact N-O 2.95Å; K24-L278 HydrophobicContact CB-CD2 3.85Å; K24-L278 CarbonylContact O-C 3.55Å; K24-L278 VanDerWaalsContact O-CA 3.25Å; K24-L278 WeakPolarHBondContact O-CA 3.19Å; K24-I279 PolarHBondContact O-N 3.46Å
25	F	96.9	Very high	92.7	Very high	4 Å²	4	57 Å²	57	2%	0.018	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	157.2	171.2	65.2	-73.4	0	0	0	111.4	I16 D17 L19 N27 I279 Y419 A422 V423	I16-F25 CarbonylContact C-O 3.55Å; I16-F25 WeakPolarHBondContact CA-O 3.5Å; D17-F25 HydrophobicContact CB-CD1 4.23Å; D17-F25 HydrophobicContact CB-CE1 3.73Å; D17-F25 HydrophobicContact CB-CE2 4.25Å; D17-F25 HydrophobicContact CB-CZ 3.74Å; D17-F25 PolarHBondContact N-O 3Å; D17-F25 PolarHBondContact O-N 2.98Å; L19-F25 HydrophobicContact CD2-CD1 4.08Å; L19-F25 HydrophobicContact CD2-CE1 3.56Å; L19-F25 HydrophobicContact CD2-CZ 4.14Å; L19-F25 HydrophobicContact CG-CD1 3.79Å; L19-F25 HydrophobicContact CG-CE1 3.73Å; F25-N27 HydrophobicContact CD2-CB 4.1Å; F25-N27 HydrophobicContact CE2-CB 3.58Å; F25-N27 HydrophobicContact CZ-CB 4.2Å; F25-I279 HydrophobicContact CB-CG2 3.8Å; F25-I279 WeakPolarHBondContact CB-O 3.17Å; F25-Y419 HydrophobicContact CB-CD2 4.16Å; F25-Y419 HydrophobicContact CB-CE2 3.72Å; F25-Y419 HydrophobicContact CD2-CD2 4.19Å; F25-Y419 AromaticContact CD2-CE2 3.83Å; F25-Y419 HydrophobicContact CD2-CE2 3.83Å; F25-Y419 HydrophobicContact CG-CD2 4.13Å; F25-Y419 AromaticContact CG-CE2 3.94Å; F25-Y419 HydrophobicContact CG-CE2 3.94Å; F25-A422 HydrophobicContact CE2-CB 3.94Å; F25-A422 HydrophobicContact CZ-CB 3.7Å; F25-V423 HydrophobicContact CD2-CG1 3.5Å; F25-V423 HydrophobicContact CE2-CG1 3.6Å
26	Y	96.9	Very high	92.7	Very high	18 Å²	18	57.2 Å²	57.2	7%	0.071	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.3	164.8	-71.8	-87.9	0	0	0	108.4	H10 Y12 L15 I16 P28 I51 R52 L278	H10-Y26 AromaticContact CE1-CE1 3.58Å; H10-Y26 AromaticContact CE1-CZ 3.67Å; H10-Y26 PolarHBondContact CE1-OH 2.89Å; H10-Y26 AromaticContact ND1-CE1 3.76Å; H10-Y26 AromaticContact ND1-CZ 3.94Å; H10-Y26 PolarHBondContact ND1-OH 2.83Å; Y12-Y26 WeakPolarHBondContact O-CE1 3.47Å; L15-Y26 HydrophobicContact CB-CD1 4.37Å; I16-Y26 HydrophobicContact CD1-CE1 4.11Å; I16-Y26 HydrophobicContact CG1-CD1 3.97Å; I16-Y26 HydrophobicContact CG1-CE1 3.68Å; Y26-P28 WeakPolarHBondContact O-CD 3.33Å; Y26-I51 HydrophobicContact CD1-CG2 3.77Å; Y26-I51 HydrophobicContact CG-CG2 4.05Å; Y26-R52 HydrophobicContact CD2-CB 3.76Å; Y26-R52 HydrophobicContact CD2-CG 3.92Å; Y26-R52 HydrophobicContact CE2-CB 3.96Å; Y26-R52 HydrophobicContact CE2-CG 3.81Å; Y26-R52 HydrophobicContact CG-CB 4.46Å; Y26-L278 HydrophobicContact CE2-CD1 4.33Å; Y26-L278 HydrophobicContact CE2-CD2 4.37Å
27	N	96.3	Very high	92.5	Very high	16 Å²	16	58 Å²	58	9%	0.086	33%	0.326	C	S	.	.			trans	-102.8	99	179.1	-176.3	-10.6	0	0	0	109.9	L15 D17 F25 R29 K30	L15-N27 PolarHBondContact O-N 3.43Å; D17-N27 HydrophobicContact CB-CB 3.77Å; D17-N27 PolarHBondContact OD2-ND2 3.13Å; F25-N27 HydrophobicContact CD2-CB 4.1Å; F25-N27 HydrophobicContact CE2-CB 3.58Å; F25-N27 HydrophobicContact CZ-CB 4.2Å; N27-R29 PolarHBondContact O-N 3.02Å; N27-R29 VanDerWaalsContact O-N 3.11Å; N27-R29 VanDerWaalsContact OD1-CB 3.29Å; N27-R29 WeakPolarHBondContact OD1-CB 3.5Å; N27-R29 PolarHBondContact OD1-N 3.29Å; N27-R29 VanDerWaalsContact OD1-N 3.14Å; N27-K30 HydrophobicContact CB-CD 4.32Å; N27-K30 HydrophobicContact CB-CG 4.22Å; N27-K30 WeakPolarHBondContact O-CB 3.47Å; N27-K30 PolarHBondContact O-N 2.97Å
28	P	94.8	Very high	92.4	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.006	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-64.4	-19.8	-176.6	-20.7	34.5	0	0	0	112.9	Y26 K30 L31 Y36 I51	Y26-P28 WeakPolarHBondContact O-CD 3.33Å; P28-K30 PolarHBondContact O-N 3.42Å; P28-L31 HydrophobicContact CB-CD1 4.41Å; P28-L31 WeakPolarHBondContact O-CB 3.42Å; P28-L31 WeakPolarHBondContact O-CD1 3.28Å; P28-L31 VanDerWaalsContact O-CG 3.22Å; P28-L31 WeakPolarHBondContact O-CG 3.3Å; P28-L31 PolarHBondContact O-N 2.89Å; P28-Y36 HydrophobicContact CB-CD2 4.01Å; P28-Y36 HydrophobicContact CB-CE1 4.22Å; P28-Y36 HydrophobicContact CB-CE2 3.55Å; P28-Y36 HydrophobicContact CG-CE2 4.1Å; P28-I51 HydrophobicContact CB-CD1 4.02Å; P28-I51 HydrophobicContact CG-CD1 4.19Å
29	R	93.6	Very high	92.5	Very high	130 Å²	130	56.9 Å²	56.9	49%	0.491	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-65.3	-24.7	176.4	-52.5	177.4	69.5	-171	0.3	112.1	N27 L31 G32 Y36 A422	N27-R29 PolarHBondContact O-N 3.02Å; N27-R29 VanDerWaalsContact O-N 3.11Å; N27-R29 VanDerWaalsContact OD1-CB 3.29Å; N27-R29 WeakPolarHBondContact OD1-CB 3.5Å; N27-R29 PolarHBondContact OD1-N 3.29Å; N27-R29 VanDerWaalsContact OD1-N 3.14Å; R29-L31 PolarHBondContact O-N 3.12Å; R29-G32 PolarHBondContact O-N 3.48Å; R29-G32 VanDerWaalsContact O-N 3.11Å; R29-Y36 HydrophobicContact CG-CD1 4.06Å; R29-Y36 HydrophobicContact CG-CE1 3.83Å; R29-A422 WeakPolarHBondContact CD-O 3.34Å
30	K	95.2	Very high	92.8	Very high	95 Å²	95	56.3 Å²	56.3	41%	0.413	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-67.9	-9.1	172.8	-70.4	-174.5	-178.9	177.7	0	113.7	L15 I16 D17 N27 P28 G32	L15-K30 HydrophobicContact CD2-CB 3.62Å; I16-K30 PolarHBondContact O-NZ 3.05Å; D17-K30 WeakPolarHBondContact OD1-CE 3.24Å; D17-K30 IonicContact OD1-NZ 3.98Å; D17-K30 PolarHBondContact OD1-NZ 2.99Å; D17-K30 WeakPolarHBondContact OD2-CE 3.27Å; D17-K30 IonicContact OD2-NZ 3.91Å; D17-K30 PolarHBondContact OD2-NZ 2.74Å; N27-K30 HydrophobicContact CB-CD 4.32Å; N27-K30 HydrophobicContact CB-CG 4.22Å; N27-K30 WeakPolarHBondContact O-CB 3.47Å; N27-K30 PolarHBondContact O-N 2.97Å; P28-K30 PolarHBondContact O-N 3.42Å; K30-G32 PolarHBondContact O-N 2.86Å
31	L	93.4	Very high	93.6	Very high	49 Å²	49	50.6 Å²	50.6	26%	0.257	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-62.7	-24	167.2	-68.9	167.9	0	0	0	112.4	Y12 L15 P28 R29 D33 I51 L68	Y12-L31 HydrophobicContact CE1-CD2 4.42Å; L15-L31 HydrophobicContact CD1-CD2 3.77Å; L15-L31 HydrophobicContact CD1-CG 3.92Å; L15-L31 HydrophobicContact CD2-CD2 4.12Å; L15-L31 HydrophobicContact CD2-CG 4.17Å; P28-L31 HydrophobicContact CB-CD1 4.41Å; P28-L31 WeakPolarHBondContact O-CB 3.42Å; P28-L31 WeakPolarHBondContact O-CD1 3.28Å; P28-L31 VanDerWaalsContact O-CG 3.22Å; P28-L31 WeakPolarHBondContact O-CG 3.3Å; P28-L31 PolarHBondContact O-N 2.89Å; R29-L31 PolarHBondContact O-N 3.12Å; L31-D33 HydrophobicContact CB-CB 4.41Å; L31-D33 PolarHBondContact O-N 3.34Å; L31-I51 HydrophobicContact CD1-CD1 4.11Å; L31-L68 HydrophobicContact CD1-CD2 4.21Å
32	G	91.1	Very high	94.6	Very high	69 Å²	69	45.3 Å²	45.3	71%	0.711	24%	0.244	S	C	*	.			trans	67.9	13.6	-177.3	0	0	0	0	0	114.5	R29 K30	R29-G32 PolarHBondContact O-N 3.48Å; R29-G32 VanDerWaalsContact O-N 3.11Å; K30-G32 PolarHBondContact O-N 2.86Å
33	D	93.9	Very high	95.2	Very high	41 Å²	41	43 Å²	43	22%	0.219	22%	0.22	C	C	.	.			trans	-97.6	119.1	-174.1	-166.7	-46.8	0	0	0	111.9	L31 R35 Y36 L68	L31-D33 HydrophobicContact CB-CB 4.41Å; L31-D33 PolarHBondContact O-N 3.34Å; D33-R35 PolarHBondContact O-N 3.38Å; D33-R35 VanDerWaalsContact O-N 3.08Å; D33-R35 WeakPolarHBondContact OD1-CB 3.47Å; D33-R35 WeakPolarHBondContact OD1-CG 3.38Å; D33-R35 PolarHBondContact OD1-N 3.34Å; D33-R35 IonicContact OD1-NE 2.74Å; D33-R35 PolarHBondContact OD1-NE 3.5Å; D33-R35 VanDerWaalsContact OD1-NE 3.1Å; D33-R35 IonicContact OD2-CZ 3.55Å; D33-R35 VanDerWaalsContact OD2-CZ 3.25Å; D33-R35 IonicContact OD2-NE 3.72Å; D33-R35 PolarHBondContact OD2-NE 3.25Å; D33-R35 IonicContact OD2-NH2 2.67Å; D33-R35 PolarHBondContact OD2-NH2 3.36Å; D33-Y36 WeakPolarHBondContact O-CB 3.49Å; D33-Y36 PolarHBondContact O-N 3.15Å; D33-Y36 VanDerWaalsContact O-N 3.13Å; D33-L68 HydrophobicContact CB-CD2 4.15Å
34	P	92.6	Very high	95.4	Very high	91 Å²	91	41.4 Å²	41.4	59%	0.591	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-1.8	-178	31.8	-37.8	0	0	0	114.3
35	R	95.3	Very high	95.5	Very high	59 Å²	59	36.4 Å²	36.4	22%	0.223	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-33.9	168.5	-65.6	177.9	-70.7	160.2	9.5	111.2	D33 D37 K38 L39 Q65 L68 D69	D33-R35 PolarHBondContact O-N 3.38Å; D33-R35 VanDerWaalsContact O-N 3.08Å; D33-R35 WeakPolarHBondContact OD1-CB 3.47Å; D33-R35 WeakPolarHBondContact OD1-CG 3.38Å; D33-R35 PolarHBondContact OD1-N 3.34Å; D33-R35 IonicContact OD1-NE 2.74Å; D33-R35 PolarHBondContact OD1-NE 3.5Å; D33-R35 VanDerWaalsContact OD1-NE 3.1Å; D33-R35 IonicContact OD2-CZ 3.55Å; D33-R35 VanDerWaalsContact OD2-CZ 3.25Å; D33-R35 IonicContact OD2-NE 3.72Å; D33-R35 PolarHBondContact OD2-NE 3.25Å; D33-R35 IonicContact OD2-NH2 2.67Å; D33-R35 PolarHBondContact OD2-NH2 3.36Å; R35-D37 PolarHBondContact O-N 3.16Å; R35-K38 WeakPolarHBondContact O-CB 3.33Å; R35-K38 PolarHBondContact O-N 2.81Å; R35-K38 VanDerWaalsContact O-N 3.08Å; R35-L39 PolarHBondContact O-N 2.96Å; R35-Q65 VanDerWaalsContact NH2-NE2 3.15Å; R35-L68 HydrophobicContact CB-CD1 4.1Å; R35-L68 HydrophobicContact CB-CG 4.47Å; R35-L68 VanDerWaalsContact NH2-CD2 3.33Å; R35-D69 IonicContact CZ-OD1 3.43Å; R35-D69 VanDerWaalsContact NH1-CB 3.29Å; R35-D69 IonicContact NH1-OD1 2.78Å; R35-D69 PolarHBondContact NH1-OD1 2.76Å
36	Y	95.7	Very high	95.5	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.016	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-56.4	-51.4	-175.3	-177.7	-109.7	0	0	0	113	P28 R29 D33 K38 L39 R44 L47 V423 N424	P28-Y36 HydrophobicContact CB-CD2 4.01Å; P28-Y36 HydrophobicContact CB-CE1 4.22Å; P28-Y36 HydrophobicContact CB-CE2 3.55Å; P28-Y36 HydrophobicContact CG-CE2 4.1Å; R29-Y36 HydrophobicContact CG-CD1 4.06Å; R29-Y36 HydrophobicContact CG-CE1 3.83Å; D33-Y36 WeakPolarHBondContact O-CB 3.49Å; D33-Y36 PolarHBondContact O-N 3.15Å; D33-Y36 VanDerWaalsContact O-N 3.13Å; Y36-K38 PolarHBondContact O-N 3.28Å; Y36-K38 VanDerWaalsContact O-N 3.09Å; Y36-L39 HydrophobicContact CD2-CD1 4.15Å; Y36-L39 WeakPolarHBondContact O-CB 3.34Å; Y36-L39 PolarHBondContact O-N 2.84Å; Y36-L39 VanDerWaalsContact O-N 3.09Å; Y36-R44 HydrophobicContact CE2-CB 4.13Å; Y36-R44 HydrophobicContact CE2-CG 3.86Å; Y36-L47 HydrophobicContact CD2-CD2 3.61Å; Y36-L47 HydrophobicContact CE2-CD2 3.84Å; Y36-V423 PolarHBondContact OH-O 2.92Å; Y36-N424 HydrophobicContact CE1-CB 4.22Å
37	D	91.9	Very high	95.6	Very high	72 Å²	72	35.4 Å²	35.4	39%	0.385	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-68.7	-9.4	-177.7	-62.7	-53.1	0	0	0	113.4	R35 R44 N424	R35-D37 PolarHBondContact O-N 3.16Å; D37-R44 VanDerWaalsContact C-NH2 3.29Å; D37-R44 PolarHBondContact O-NH2 3.34Å; D37-N424 PolarHBondContact OD1-ND2 2.71Å
38	K	93.5	Very high	95.6	Very high	99 Å²	99	34.9 Å²	34.9	43%	0.43	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-95.5	-17.9	174.5	-63	173.8	-177.2	175.6	0	113.6	R35 Y36 Q437	R35-K38 WeakPolarHBondContact O-CB 3.33Å; R35-K38 PolarHBondContact O-N 2.81Å; R35-K38 VanDerWaalsContact O-N 3.08Å; Y36-K38 PolarHBondContact O-N 3.28Å; Y36-K38 VanDerWaalsContact O-N 3.09Å; K38-Q437 HydrophobicContact CB-CB 4.42Å; K38-Q437 HydrophobicContact CB-CG 4.09Å; K38-Q437 HydrophobicContact CG-CG 4.37Å; K38-Q437 PolarHBondContact O-N 2.89Å
39	L	97.2	Very high	95.7	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	18%	0.183	C	C	.	.	S	Bend	trans	-63.3	141.2	-178.9	-66.1	176.8	0	0	0	110.8	R35 Y36 I43 R44 L47 L68 W70	R35-L39 PolarHBondContact O-N 2.96Å; Y36-L39 HydrophobicContact CD2-CD1 4.15Å; Y36-L39 WeakPolarHBondContact O-CB 3.34Å; Y36-L39 PolarHBondContact O-N 2.84Å; Y36-L39 VanDerWaalsContact O-N 3.09Å; L39-I43 HydrophobicContact CD1-CG2 4.35Å; L39-I43 HydrophobicContact CD2-CG2 4.14Å; L39-R44 HydrophobicContact CB-CG 3.87Å; L39-R44 HydrophobicContact CD1-CG 4.49Å; L39-R44 VanDerWaalsContact O-CZ 3.3Å; L39-R44 PolarHBondContact O-NE 3.42Å; L39-R44 PolarHBondContact O-NH2 3.05Å; L39-L47 HydrophobicContact CD1-CD2 3.91Å; L39-L68 HydrophobicContact CD1-CD1 4.35Å; L39-W70 HydrophobicContact CD2-CB 3.92Å; L39-W70 HydrophobicContact CD2-CE3 4.18Å
40	P	97.7	Very high	95.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.161	C	C	.	.			trans	-53.9	144.9	162.4	-22.9	33.4	0	0	0	110.9	S42 I43 R44 W70 V325 E362 P436 F438	P40-S42 VanDerWaalsContact C-N 3.26Å; P40-S42 PolarHBondContact O-N 3.06Å; P40-I43 HydrophobicContact CB-CG1 4.13Å; P40-I43 HydrophobicContact CG-CG1 4.24Å; P40-I43 WeakPolarHBondContact O-CA 3.13Å; P40-I43 WeakPolarHBondContact O-CB 3.28Å; P40-I43 PolarHBondContact O-N 3.04Å; P40-R44 PolarHBondContact O-N 3.1Å; P40-W70 HydrophobicContact CG-CE3 4.49Å; P40-W70 HydrophobicContact CG-CH2 3.81Å; P40-W70 HydrophobicContact CG-CZ2 4.2Å; P40-W70 HydrophobicContact CG-CZ3 3.97Å; P40-V325 HydrophobicContact CB-CB 4.19Å; P40-V325 HydrophobicContact CB-CG1 3.84Å; P40-V325 HydrophobicContact CB-CG2 4.16Å; P40-V325 HydrophobicContact CG-CB 3.88Å; P40-V325 HydrophobicContact CG-CG1 4.04Å; P40-V325 HydrophobicContact CG-CG2 3.98Å; P40-E362 WeakPolarHBondContact CB-OE2 3.04Å; P40-P436 HydrophobicContact CB-CB 4.48Å; P40-F438 HydrophobicContact CB-CD1 4.26Å; P40-F438 HydrophobicContact CB-CE1 4.08Å; P40-F438 HydrophobicContact CG-CD1 4.05Å; P40-F438 HydrophobicContact CG-CE1 4.32Å
41	L	97.4	Very high	96	Very high	3 Å²	3	24.3 Å²	24.3	2%	0.016	14%	0.142	C	C	.	.	H	α-helix	trans	-67.2	-31	-171.7	-82.5	65.8	0	0	0	111.5	I43 R44 I45 E362 F392 P394 L425 R427 P436	L41-I43 VanDerWaalsContact C-N 3.28Å; L41-I43 PolarHBondContact O-N 2.7Å; L41-R44 WeakPolarHBondContact O-CB 3.39Å; L41-R44 PolarHBondContact O-N 3.09Å; L41-I45 PolarHBondContact O-N 2.95Å; L41-E362 PolarHBondContact N-OE1 2.95Å; L41-E362 PolarHBondContact N-OE2 2.85Å; L41-E362 VanDerWaalsContact N-OE2 3.16Å; L41-F392 HydrophobicContact CB-CE1 4.15Å; L41-P394 HydrophobicContact CB-CG 4.26Å; L41-P394 HydrophobicContact CD2-CB 3.68Å; L41-P394 HydrophobicContact CD2-CG 3.97Å; L41-L425 HydrophobicContact CB-CD2 4.26Å; L41-L425 HydrophobicContact CG-CD2 4.38Å; L41-R427 HydrophobicContact CD2-CB 4.5Å; L41-P436 HydrophobicContact CD1-CG 3.54Å
42	S	97.6	Very high	96.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-58.1	-36.6	168.4	52.5	0	0	0	0	113.1	P40 L46 E362	P40-S42 VanDerWaalsContact C-N 3.26Å; P40-S42 PolarHBondContact O-N 3.06Å; S42-L46 PolarHBondContact O-N 2.87Å; S42-E362 WeakPolarHBondContact CB-OE2 3.41Å; S42-E362 PolarHBondContact N-OE2 2.96Å; S42-E362 PolarHBondContact OG-OE2 3.47Å
43	I	98.2	Very high	96.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-77.3	-32.1	176.1	-54.1	-59.7	0	0	0	111.5	L39 P40 L41 I45 L46 L47 I67 W70 P323 V325	L39-I43 HydrophobicContact CD1-CG2 4.35Å; L39-I43 HydrophobicContact CD2-CG2 4.14Å; P40-I43 HydrophobicContact CB-CG1 4.13Å; P40-I43 HydrophobicContact CG-CG1 4.24Å; P40-I43 WeakPolarHBondContact O-CA 3.13Å; P40-I43 WeakPolarHBondContact O-CB 3.28Å; P40-I43 PolarHBondContact O-N 3.04Å; L41-I43 VanDerWaalsContact C-N 3.28Å; L41-I43 PolarHBondContact O-N 2.7Å; I43-I45 VanDerWaalsContact C-N 3.27Å; I43-I45 PolarHBondContact O-N 2.85Å; I43-L46 HydrophobicContact CD1-CD1 3.85Å; I43-L46 WeakPolarHBondContact O-CB 3.5Å; I43-L46 PolarHBondContact O-N 3.35Å; I43-L46 VanDerWaalsContact O-N 3.16Å; I43-L47 PolarHBondContact O-N 3.2Å; I43-I67 HydrophobicContact CG2-CG2 3.85Å; I43-W70 HydrophobicContact CD1-CG 4.46Å; I43-W70 HydrophobicContact CG1-CD2 4.25Å; I43-W70 HydrophobicContact CG1-CG 4.2Å; I43-W70 HydrophobicContact CG2-CB 3.96Å; I43-W70 HydrophobicContact CG2-CG 3.95Å; I43-P323 HydrophobicContact CD1-CG 4.22Å; I43-V325 HydrophobicContact CD1-CG2 3.78Å; I43-V325 HydrophobicContact CG1-CG2 3.76Å
44	R	97.9	Very high	96.3	Very high	3 Å²	3	21 Å²	21	1%	0.011	11%	0.105	C	C	.	.	H	α-helix	trans	-61.3	-34.8	172.9	-63.5	178	-157.1	-160.2	-6.4	112.2	Y36 D37 L39 P40 L41 L47 E48 N424 L425	Y36-R44 HydrophobicContact CE2-CB 4.13Å; Y36-R44 HydrophobicContact CE2-CG 3.86Å; D37-R44 VanDerWaalsContact C-NH2 3.29Å; D37-R44 PolarHBondContact O-NH2 3.34Å; L39-R44 HydrophobicContact CB-CG 3.87Å; L39-R44 HydrophobicContact CD1-CG 4.49Å; L39-R44 VanDerWaalsContact O-CZ 3.3Å; L39-R44 PolarHBondContact O-NE 3.42Å; L39-R44 PolarHBondContact O-NH2 3.05Å; P40-R44 PolarHBondContact O-N 3.1Å; L41-R44 WeakPolarHBondContact O-CB 3.39Å; L41-R44 PolarHBondContact O-N 3.09Å; R44-L47 PolarHBondContact O-N 2.82Å; R44-E48 PolarHBondContact O-N 3.1Å; R44-N424 WeakPolarHBondContact CD-O 3.36Å; R44-N424 PolarHBondContact NH1-ND2 3.15Å; R44-N424 VanDerWaalsContact NH1-ND2 3.13Å; R44-N424 PolarHBondContact NH1-O 2.99Å; R44-N424 PolarHBondContact NH1-OD1 3.17Å; R44-L425 HydrophobicContact CB-CD2 3.61Å
45	I	97.9	Very high	96.1	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-68	-40.4	173.8	-64.5	169.6	0	0	0	111.3	L41 I43 L47 A49 P281 L300 F392 L425	L41-I45 PolarHBondContact O-N 2.95Å; I43-I45 VanDerWaalsContact C-N 3.27Å; I43-I45 PolarHBondContact O-N 2.85Å; I45-L47 VanDerWaalsContact C-N 3.3Å; I45-L47 PolarHBondContact O-N 3.18Å; I45-A49 WeakPolarHBondContact O-CB 3.35Å; I45-A49 PolarHBondContact O-N 2.94Å; I45-A49 VanDerWaalsContact O-N 3.11Å; I45-P281 HydrophobicContact CG1-CB 4.38Å; I45-P281 HydrophobicContact CG2-CB 4.36Å; I45-L300 HydrophobicContact CB-CB 4.42Å; I45-L300 HydrophobicContact CB-CD2 4.09Å; I45-L300 HydrophobicContact CD1-CB 4.07Å; I45-L300 HydrophobicContact CG2-CB 3.88Å; I45-L300 HydrophobicContact CG2-CD2 3.85Å; I45-F392 HydrophobicContact CD1-CE1 4.37Å; I45-F392 HydrophobicContact CD1-CE2 3.96Å; I45-F392 HydrophobicContact CD1-CZ 3.5Å; I45-L425 HydrophobicContact CG1-CD1 3.97Å; I45-L425 HydrophobicContact CG1-CD2 3.91Å
46	L	97.5	Very high	95.7	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-41.9	171.8	-61.2	178.8	0	0	0	111.2	S42 I43 A49 A50 I67 F81 L300 L320	S42-L46 PolarHBondContact O-N 2.87Å; I43-L46 HydrophobicContact CD1-CD1 3.85Å; I43-L46 WeakPolarHBondContact O-CB 3.5Å; I43-L46 PolarHBondContact O-N 3.35Å; I43-L46 VanDerWaalsContact O-N 3.16Å; L46-A49 PolarHBondContact O-N 3.31Å; L46-A50 WeakPolarHBondContact O-CB 3.4Å; L46-A50 PolarHBondContact O-N 2.94Å; L46-I67 HydrophobicContact CB-CG2 4.2Å; L46-F81 HydrophobicContact CD2-CB 4.27Å; L46-F81 HydrophobicContact CD2-CD1 4.49Å; L46-F81 HydrophobicContact CD2-CD2 3.35Å; L46-F81 HydrophobicContact CD2-CE2 3.65Å; L46-F81 HydrophobicContact CD2-CG 3.8Å; L46-F81 HydrophobicContact CD2-CZ 4.3Å; L46-L300 HydrophobicContact CD2-CD2 3.68Å; L46-L300 HydrophobicContact CG-CD2 4.09Å; L46-L320 HydrophobicContact CD1-CD2 3.78Å; L46-L320 HydrophobicContact CD2-CD2 4.02Å
47	L	98	Very high	95.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-67.1	-43.6	-179.5	-174.2	63	0	0	0	112.4	Y36 L39 I43 R44 I45 A49 A50 I51 V64 I67 L68	Y36-L47 HydrophobicContact CD2-CD2 3.61Å; Y36-L47 HydrophobicContact CE2-CD2 3.84Å; L39-L47 HydrophobicContact CD1-CD2 3.91Å; I43-L47 PolarHBondContact O-N 3.2Å; R44-L47 PolarHBondContact O-N 2.82Å; I45-L47 VanDerWaalsContact C-N 3.3Å; I45-L47 PolarHBondContact O-N 3.18Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3Å; L47-A50 PolarHBondContact O-N 2.97Å; L47-I51 HydrophobicContact CD1-CD1 4.18Å; L47-I51 HydrophobicContact CD1-CG1 4.34Å; L47-I51 HydrophobicContact CD2-CD1 4.48Å; L47-I51 HydrophobicContact CG-CD1 3.85Å; L47-I51 HydrophobicContact CG-CG1 4.42Å; L47-I51 WeakPolarHBondContact O-CB 3.26Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 2.92Å; L47-V64 HydrophobicContact CD1-CG1 3.83Å; L47-V64 WeakPolarHBondContact CD1-O 3.34Å; L47-I67 HydrophobicContact CB-CG2 3.74Å; L47-I67 HydrophobicContact CD1-CB 4Å; L47-I67 HydrophobicContact CD1-CG2 4Å; L47-I67 HydrophobicContact CG-CG2 4.44Å; L47-L68 HydrophobicContact CD1-CB 4.23Å; L47-L68 HydrophobicContact CD2-CB 4.47Å; L47-L68 HydrophobicContact CD2-CD1 3.99Å
48	E	97.7	Very high	94.9	Very high	4 Å²	4	22 Å²	22	2%	0.019	12%	0.117	C	C	.	.	H	α-helix	trans	-57.7	-48.4	174	-171.5	-73	149.7	0	0	110.6	R44 A50 I51 R52 Y280 P281	R44-E48 PolarHBondContact O-N 3.1Å; E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 3.07Å; E48-I51 PolarHBondContact O-N 3.23Å; E48-R52 WeakPolarHBondContact O-CB 3.25Å; E48-R52 PolarHBondContact O-N 3.32Å; E48-R52 WeakPolarHBondContact OE1-CD 3.04Å; E48-R52 IonicContact OE1-CZ 2.75Å; E48-R52 IonicContact OE1-NE 4Å; E48-R52 PolarHBondContact OE1-NE 3.38Å; E48-R52 IonicContact OE1-NH2 3.85Å; E48-R52 IonicContact OE2-CZ 3.84Å; E48-R52 IonicContact OE2-NE 3.18Å; E48-R52 PolarHBondContact OE2-NE 3.28Å; E48-R52 IonicContact OE2-NH2 3.22Å; E48-R52 PolarHBondContact OE2-NH2 2.93Å; E48-Y280 VanDerWaalsContact OE1-CB 3.3Å; E48-Y280 WeakPolarHBondContact OE1-CB 2.98Å; E48-P281 VanDerWaalsContact CD-CD 3.48Å; E48-P281 HydrophobicContact CG-CG 4.24Å; E48-P281 VanDerWaalsContact OE2-CD 3.26Å; E48-P281 WeakPolarHBondContact OE2-CD 3.35Å
49	A	97.1	Very high	94.9	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.008	10%	0.097	C	C	.	.	H	α-helix	trans	-62	-40.2	179.9	0	0	0	0	0	111.7	I45 L46 L47 N53 F81	I45-A49 WeakPolarHBondContact O-CB 3.35Å; I45-A49 PolarHBondContact O-N 2.94Å; I45-A49 VanDerWaalsContact O-N 3.11Å; L46-A49 PolarHBondContact O-N 3.31Å; L47-A49 VanDerWaalsContact C-N 3.33Å; L47-A49 PolarHBondContact O-N 3Å; A49-N53 WeakPolarHBondContact O-CB 3.33Å; A49-N53 PolarHBondContact O-N 3.1Å; A49-N53 PolarHBondContact O-ND2 2.85Å; A49-F81 HydrophobicContact CB-CD2 4.03Å; A49-F81 HydrophobicContact CB-CE2 3.9Å
50	A	97.1	Very high	94.7	Very high	3 Å²	3	21.7 Å²	21.7	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-69.3	-41.9	176.8	0	0	0	0	0	112.7	L46 L47 E48 N53 C54 T59 V64 I67	L46-A50 WeakPolarHBondContact O-CB 3.4Å; L46-A50 PolarHBondContact O-N 2.94Å; L47-A50 PolarHBondContact O-N 2.97Å; E48-A50 VanDerWaalsContact C-N 3.32Å; E48-A50 PolarHBondContact O-N 3.07Å; A50-N53 PolarHBondContact O-N 3.24Å; A50-C54 PolarHBondContact O-N 2.98Å; A50-T59 HydrophobicContact CB-CG2 4.07Å; A50-T59 WeakPolarHBondContact O-CG2 3.4Å; A50-V64 HydrophobicContact CB-CG2 3.87Å; A50-I67 HydrophobicContact CB-CD1 3.37Å
51	I	96.9	Very high	94.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.8	-50.6	175.6	-74.5	169	0	0	0	110.5	H10 Y12 L15 Y26 P28 L31 L47 E48 N53 V64	H10-I51 PolarHBondContact CE1-O 3.3Å; H10-I51 PolarHBondContact NE2-O 3.1Å; Y12-I51 HydrophobicContact CD2-CG2 4.33Å; Y12-I51 HydrophobicContact CG-CG2 4.04Å; L15-I51 HydrophobicContact CD1-CD1 4.24Å; L15-I51 HydrophobicContact CD1-CG2 3.96Å; Y26-I51 HydrophobicContact CD1-CG2 3.77Å; Y26-I51 HydrophobicContact CG-CG2 4.05Å; P28-I51 HydrophobicContact CB-CD1 4.02Å; P28-I51 HydrophobicContact CG-CD1 4.19Å; L31-I51 HydrophobicContact CD1-CD1 4.11Å; L47-I51 HydrophobicContact CD1-CD1 4.18Å; L47-I51 HydrophobicContact CD1-CG1 4.34Å; L47-I51 HydrophobicContact CD2-CD1 4.48Å; L47-I51 HydrophobicContact CG-CD1 3.85Å; L47-I51 HydrophobicContact CG-CG1 4.42Å; L47-I51 WeakPolarHBondContact O-CB 3.26Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.48Å; L47-I51 PolarHBondContact O-N 2.92Å; E48-I51 PolarHBondContact O-N 3.23Å; I51-N53 VanDerWaalsContact C-N 3.32Å; I51-N53 PolarHBondContact O-N 3.41Å; I51-V64 HydrophobicContact CD1-CG1 4.43Å; I51-V64 HydrophobicContact CG1-CG1 3.65Å; I51-V64 HydrophobicContact CG1-CG2 4.38Å
52	R	95.4	Very high	94.5	Very high	34 Å²	34	33.3 Å²	33.3	13%	0.128	17%	0.17	C	C	.	.	H	α-helix	trans	-70	-24.3	-175.4	172.8	169.8	48.2	77.1	5.1	114	Y26 E48 Y280	Y26-R52 HydrophobicContact CD2-CB 3.76Å; Y26-R52 HydrophobicContact CD2-CG 3.92Å; Y26-R52 HydrophobicContact CE2-CB 3.96Å; Y26-R52 HydrophobicContact CE2-CG 3.81Å; Y26-R52 HydrophobicContact CG-CB 4.46Å; E48-R52 WeakPolarHBondContact O-CB 3.25Å; E48-R52 PolarHBondContact O-N 3.32Å; E48-R52 WeakPolarHBondContact OE1-CD 3.04Å; E48-R52 IonicContact OE1-CZ 2.75Å; E48-R52 IonicContact OE1-NE 4Å; E48-R52 PolarHBondContact OE1-NE 3.38Å; E48-R52 IonicContact OE1-NH2 3.85Å; E48-R52 IonicContact OE2-CZ 3.84Å; E48-R52 IonicContact OE2-NE 3.18Å; E48-R52 PolarHBondContact OE2-NE 3.28Å; E48-R52 IonicContact OE2-NH2 3.22Å; E48-R52 PolarHBondContact OE2-NH2 2.93Å; R52-Y280 VanDerWaalsContact NE-CB 3.35Å
53	N	94.4	Very high	94.4	Very high	53 Å²	53	34.2 Å²	34.2	28%	0.283	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	22	-177.5	-61.3	-87.5	0	0	0	112.6	A49 A50 I51 D55 T59	A49-N53 WeakPolarHBondContact O-CB 3.33Å; A49-N53 PolarHBondContact O-N 3.1Å; A49-N53 PolarHBondContact O-ND2 2.85Å; A50-N53 PolarHBondContact O-N 3.24Å; I51-N53 VanDerWaalsContact C-N 3.32Å; I51-N53 PolarHBondContact O-N 3.41Å; N53-D55 PolarHBondContact O-N 3.48Å; N53-T59 VanDerWaalsContact O-CB 3.32Å; N53-T59 WeakPolarHBondContact O-CB 3.29Å; N53-T59 PolarHBondContact O-OG1 3.36Å
54	C	94.7	Very high	94.3	Very high	2 Å²	2	34.4 Å²	34.4	1%	0.014	18%	0.175	C	C	.	.			trans	-73.1	90.5	-179.8	-168.8	0	0	0	0	111.3	H10 Y12 A50 T59	H10-C54 PolarHBondContact CD2-O 2.95Å; Y12-C54 HydrophobicContact CD2-CB 3.84Å; Y12-C54 HydrophobicContact CE2-CB 3.9Å; A50-C54 PolarHBondContact O-N 2.98Å; C54-T59 PolarHBondContact SG-O 3.29Å
55	D	89.3	Confident	94.3	Very high	87 Å²	87	38.5 Å²	38.5	47%	0.465	20%	0.195	S	C	.	.			trans	-96.4	-9	-178	69.3	-9.3	0	0	0	113.6	N53 F57 Y58 T59	N53-D55 PolarHBondContact O-N 3.48Å; D55-F57 PolarHBondContact O-N 2.94Å; D55-F57 PolarHBondContact OD1-N 3.29Å; D55-Y58 PolarHBondContact OD1-N 2.89Å; D55-Y58 WeakPolarHBondContact OD2-CD2 3.44Å; D55-Y58 PolarHBondContact OD2-N 2.87Å; D55-T59 PolarHBondContact N-O 3.03Å; D55-T59 PolarHBondContact OD1-N 3.28Å
56	G	86.6	Confident	94.2	Very high	52 Å²	52	39.7 Å²	39.7	54%	0.536	20%	0.201	S	C	.	.	S	Bend	trans	74.1	4.9	-175.3	0	0	0	0	0	114.6	T59	G56-T59 PolarHBondContact N-O 2.91Å
57	F	86	Confident	94.2	Very high	61 Å²	61	39.6 Å²	39.6	27%	0.268	20%	0.201	S	C	.	.	S	Bend	trans	-120.3	-65.4	179.6	178.3	-107.7	0	0	0	111.5	A2 D55 I955	A2-F57 HydrophobicContact CB-CD2 4.43Å; A2-F57 HydrophobicContact CB-CE2 4.46Å; D55-F57 PolarHBondContact O-N 2.94Å; D55-F57 PolarHBondContact OD1-N 3.29Å; F57-I955 HydrophobicContact CE2-CD1 4.15Å; F57-I955 HydrophobicContact CZ-CD1 4.31Å
58	Y	85.8	Confident	94.2	Very high	48 Å²	48	40 Å²	40	19%	0.188	20%	0.203	C	C	.	.	S	Bend	trans	-82.4	-36.6	173.8	-73.4	-55.9	0	0	0	112.5	D55 Q316 P317 V952 F956	D55-Y58 PolarHBondContact OD1-N 2.89Å; D55-Y58 WeakPolarHBondContact OD2-CD2 3.44Å; D55-Y58 PolarHBondContact OD2-N 2.87Å; Y58-Q316 HydrophobicContact CD1-CG 4.38Å; Y58-Q316 HydrophobicContact CE1-CB 4.37Å; Y58-Q316 HydrophobicContact CE1-CG 3.94Å; Y58-P317 HydrophobicContact CD1-CG 4.41Å; Y58-P317 HydrophobicContact CG-CG 4.36Å; Y58-V952 HydrophobicContact CE1-CG1 4.28Å; Y58-F956 HydrophobicContact CE1-CZ 4.33Å
59	T	91.6	Very high	94.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	21%	0.212	C	C	.	.	S	Bend	trans	-129	118.7	177.7	-50.5	0	0	0	0	110.1	A50 N53 C54 D55 G56 D63 P80	A50-T59 HydrophobicContact CB-CG2 4.07Å; A50-T59 WeakPolarHBondContact O-CG2 3.4Å; N53-T59 VanDerWaalsContact O-CB 3.32Å; N53-T59 WeakPolarHBondContact O-CB 3.29Å; N53-T59 PolarHBondContact O-OG1 3.36Å; C54-T59 PolarHBondContact SG-O 3.29Å; D55-T59 PolarHBondContact N-O 3.03Å; D55-T59 PolarHBondContact OD1-N 3.28Å; G56-T59 PolarHBondContact N-O 2.91Å; T59-D63 HydrophobicContact CG2-CB 4.34Å; T59-P80 HydrophobicContact CG2-CG 3.82Å
60	K	93	Very high	94.2	Very high	97 Å²	97	41.8 Å²	41.8	42%	0.422	21%	0.212	S	C	.	.			trans	-102.9	162	-176.9	-58.8	168.8	-174.9	170.7	0	110.8	E62 D63 V64	K60-E62 HydrophobicContact CB-CB 4.43Å; K60-E62 PolarHBondContact O-N 2.94Å; K60-D63 WeakPolarHBondContact CB-OD2 3.33Å; K60-D63 PolarHBondContact N-OD2 3.3Å; K60-D63 WeakPolarHBondContact O-CB 3.43Å; K60-D63 PolarHBondContact O-N 2.9Å; K60-V64 PolarHBondContact O-N 3.15Å
61	E	95.4	Very high	94.1	Very high	118 Å²	118	46.2 Å²	46.2	55%	0.551	23%	0.232	S	C	*	.	H	α-helix	trans	-59	-30.8	171.6	-63.1	172.4	-118.8	0	0	111.7	P11 Y12 V64 Q65	P11-E61 HydrophobicContact CB-CG 4.04Å; P11-E61 HydrophobicContact CG-CG 4.24Å; Y12-E61 HydrophobicContact CE2-CG 4.33Å; E61-V64 PolarHBondContact O-N 3.05Å; E61-Q65 PolarHBondContact O-N 3.28Å
62	E	95.5	Very high	94	Very high	129 Å²	129	51.1 Å²	51.1	60%	0.603	26%	0.255	S	S	*	.	H	α-helix	trans	-61.9	-39	171.9	-172.5	-179.4	-179.1	0	0	112.3	K60 Q65 N66	K60-E62 HydrophobicContact CB-CB 4.43Å; K60-E62 PolarHBondContact O-N 2.94Å; E62-Q65 PolarHBondContact O-N 3.13Å; E62-N66 WeakPolarHBondContact O-CB 3.37Å; E62-N66 PolarHBondContact O-N 3.41Å; E62-N66 PolarHBondContact O-ND2 3.03Å
63	D	95.6	Very high	94	Very high	19 Å²	19	51.8 Å²	51.8	10%	0.102	26%	0.26	C	S	.	.	H	α-helix	trans	-66.7	-43.1	178.1	-62.8	-56.3	0	0	0	111.3	T59 K60 Q65 N66 I67 P80	T59-D63 HydrophobicContact CG2-CB 4.34Å; K60-D63 WeakPolarHBondContact CB-OD2 3.33Å; K60-D63 PolarHBondContact N-OD2 3.3Å; K60-D63 WeakPolarHBondContact O-CB 3.43Å; K60-D63 PolarHBondContact O-N 2.9Å; D63-Q65 PolarHBondContact O-N 3.08Å; D63-N66 PolarHBondContact O-N 2.73Å; D63-I67 WeakPolarHBondContact O-CD1 3.3Å; D63-I67 VanDerWaalsContact O-CG1 3.28Å; D63-I67 WeakPolarHBondContact O-CG1 3.37Å; D63-I67 PolarHBondContact O-N 3.19Å; D63-P80 HydrophobicContact CB-CG 4.04Å; D63-P80 WeakPolarHBondContact OD1-CD 3.39Å
64	V	96.9	Very high	94	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-45.6	175.1	175.3	0	0	0	0	110.6	Y12 L47 A50 I51 K60 E61 I67 L68	Y12-V64 HydrophobicContact CE1-CG1 4.28Å; Y12-V64 HydrophobicContact CE2-CB 4.14Å; Y12-V64 HydrophobicContact CE2-CG1 4.11Å; Y12-V64 HydrophobicContact CE2-CG2 3.77Å; Y12-V64 WeakPolarHBondContact OH-CB 3.44Å; L47-V64 HydrophobicContact CD1-CG1 3.83Å; L47-V64 WeakPolarHBondContact CD1-O 3.34Å; A50-V64 HydrophobicContact CB-CG2 3.87Å; I51-V64 HydrophobicContact CD1-CG1 4.43Å; I51-V64 HydrophobicContact CG1-CG1 3.65Å; I51-V64 HydrophobicContact CG1-CG2 4.38Å; K60-V64 PolarHBondContact O-N 3.15Å; E61-V64 PolarHBondContact O-N 3.05Å; V64-I67 PolarHBondContact O-N 3.12Å; V64-L68 WeakPolarHBondContact O-CB 3.35Å; V64-L68 PolarHBondContact O-N 3.48Å
65	Q	97.1	Very high	93.7	Very high	89 Å²	89	56.6 Å²	56.6	42%	0.416	28%	0.28	S	S	.	.	H	α-helix	trans	-65.9	-36.5	176.3	177.5	62.2	6.5	0	0	112.2	R35 E61 E62 D63 L68 D69	R35-Q65 VanDerWaalsContact NH2-NE2 3.15Å; E61-Q65 PolarHBondContact O-N 3.28Å; E62-Q65 PolarHBondContact O-N 3.13Å; D63-Q65 PolarHBondContact O-N 3.08Å; Q65-L68 PolarHBondContact O-N 3.41Å; Q65-D69 VanDerWaalsContact O-CB 3.26Å; Q65-D69 WeakPolarHBondContact O-CB 3.21Å; Q65-D69 PolarHBondContact O-N 3.15Å
66	N	97.3	Very high	93.7	Very high	29 Å²	29	59.6 Å²	59.6	16%	0.155	29%	0.289	C	S	.	.	H	α-helix	trans	-64.9	-39.7	175.6	-76.8	-29.8	0	0	0	112.2	E62 D63 D69 W70 Q73 A77 V79 L322	E62-N66 WeakPolarHBondContact O-CB 3.37Å; E62-N66 PolarHBondContact O-N 3.41Å; E62-N66 PolarHBondContact O-ND2 3.03Å; D63-N66 PolarHBondContact O-N 2.73Å; N66-D69 CarbonylContact O-C 3.59Å; N66-D69 PolarHBondContact O-N 3.25Å; N66-W70 PolarHBondContact O-N 3.36Å; N66-Q73 HydrophobicContact CB-CG 4.48Å; N66-A77 HydrophobicContact CB-CB 4.12Å; N66-V79 HydrophobicContact CB-CG1 4.11Å; N66-L322 VanDerWaalsContact O-CD1 3.3Å; N66-L322 WeakPolarHBondContact O-CD1 3.35Å
67	I	97.8	Very high	93.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-69	-41.2	174.7	-60.2	159	0	0	0	110.7	I43 L46 L47 A50 D63 V64 D69 W70 V79 L322	I43-I67 HydrophobicContact CG2-CG2 3.85Å; L46-I67 HydrophobicContact CB-CG2 4.2Å; L47-I67 HydrophobicContact CB-CG2 3.74Å; L47-I67 HydrophobicContact CD1-CB 4Å; L47-I67 HydrophobicContact CD1-CG2 4Å; L47-I67 HydrophobicContact CG-CG2 4.44Å; A50-I67 HydrophobicContact CB-CD1 3.37Å; D63-I67 WeakPolarHBondContact O-CD1 3.3Å; D63-I67 VanDerWaalsContact O-CG1 3.28Å; D63-I67 WeakPolarHBondContact O-CG1 3.37Å; D63-I67 PolarHBondContact O-N 3.19Å; V64-I67 PolarHBondContact O-N 3.12Å; I67-D69 PolarHBondContact O-N 3.45Å; I67-W70 WeakPolarHBondContact O-CB 3.37Å; I67-W70 PolarHBondContact O-N 2.98Å; I67-W70 VanDerWaalsContact O-N 3.16Å; I67-V79 HydrophobicContact CD1-CB 4.26Å; I67-V79 HydrophobicContact CD1-CG2 4.37Å; I67-V79 HydrophobicContact CG1-CB 4.07Å; I67-V79 HydrophobicContact CG1-CG1 3.93Å; I67-V79 HydrophobicContact CG1-CG2 4.06Å; I67-L322 HydrophobicContact CG1-CD2 4.12Å
68	L	97.3	Very high	93.9	Very high	8 Å²	8	57.5 Å²	57.5	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-65.1	-30.2	175.7	-176.1	59.7	0	0	0	112.3	L31 D33 R35 L39 L47 V64 Q65 W70	L31-L68 HydrophobicContact CD1-CD2 4.21Å; D33-L68 HydrophobicContact CB-CD2 4.15Å; R35-L68 HydrophobicContact CB-CD1 4.1Å; R35-L68 HydrophobicContact CB-CG 4.47Å; R35-L68 VanDerWaalsContact NH2-CD2 3.33Å; L39-L68 HydrophobicContact CD1-CD1 4.35Å; L47-L68 HydrophobicContact CD1-CB 4.23Å; L47-L68 HydrophobicContact CD2-CB 4.47Å; L47-L68 HydrophobicContact CD2-CD1 3.99Å; V64-L68 WeakPolarHBondContact O-CB 3.35Å; V64-L68 PolarHBondContact O-N 3.48Å; Q65-L68 PolarHBondContact O-N 3.41Å; L68-W70 VanDerWaalsContact C-N 3.31Å
69	D	97	Very high	94.2	Very high	39 Å²	39	55.3 Å²	55.3	21%	0.209	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	19.3	174.7	-154.5	49.4	0	0	0	113.8	R35 Q65 N66 I67 Q71 Q72 Q73	R35-D69 IonicContact CZ-OD1 3.43Å; R35-D69 VanDerWaalsContact NH1-CB 3.29Å; R35-D69 IonicContact NH1-OD1 2.78Å; R35-D69 PolarHBondContact NH1-OD1 2.76Å; Q65-D69 VanDerWaalsContact O-CB 3.26Å; Q65-D69 WeakPolarHBondContact O-CB 3.21Å; Q65-D69 PolarHBondContact O-N 3.15Å; N66-D69 CarbonylContact O-C 3.59Å; N66-D69 PolarHBondContact O-N 3.25Å; I67-D69 PolarHBondContact O-N 3.45Å; D69-Q71 PolarHBondContact O-N 2.69Å; D69-Q72 PolarHBondContact O-N 2.73Å; D69-Q72 WeakPolarHBondContact OD2-CB 3.47Å; D69-Q73 HydrophobicContact CB-CG 3.92Å; D69-Q73 PolarHBondContact O-N 3.31Å; D69-Q73 VanDerWaalsContact O-N 3.12Å; D69-Q73 PolarHBondContact OD2-NE2 3.08Å; D69-Q73 VanDerWaalsContact OD2-NE2 3.08Å
70	W	97.6	Very high	94.2	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.015	27%	0.274	C	S	.	.	H	α-helix	trans	-45.3	-37.7	-172.5	162.3	85.2	0	0	0	114.9	L39 P40 I43 N66 I67 L68 Q72 Q73 Q74 P323 V325 Q437 S439	L39-W70 HydrophobicContact CD2-CB 3.92Å; L39-W70 HydrophobicContact CD2-CE3 4.18Å; P40-W70 HydrophobicContact CG-CE3 4.49Å; P40-W70 HydrophobicContact CG-CH2 3.81Å; P40-W70 HydrophobicContact CG-CZ2 4.2Å; P40-W70 HydrophobicContact CG-CZ3 3.97Å; I43-W70 HydrophobicContact CD1-CG 4.46Å; I43-W70 HydrophobicContact CG1-CD2 4.25Å; I43-W70 HydrophobicContact CG1-CG 4.2Å; I43-W70 HydrophobicContact CG2-CB 3.96Å; I43-W70 HydrophobicContact CG2-CG 3.95Å; N66-W70 PolarHBondContact O-N 3.36Å; I67-W70 WeakPolarHBondContact O-CB 3.37Å; I67-W70 PolarHBondContact O-N 2.98Å; I67-W70 VanDerWaalsContact O-N 3.16Å; L68-W70 VanDerWaalsContact C-N 3.31Å; W70-Q72 PolarHBondContact O-N 2.89Å; W70-Q73 PolarHBondContact O-N 2.96Å; W70-Q73 VanDerWaalsContact O-N 3.14Å; W70-Q74 WeakPolarHBondContact O-CB 3.42Å; W70-Q74 PolarHBondContact O-N 2.93Å; W70-P323 PolarHBondContact NE1-O 3.19Å; W70-V325 HydrophobicContact CH2-CB 4.36Å; W70-V325 HydrophobicContact CH2-CG2 4.48Å; W70-V325 HydrophobicContact CZ2-CB 3.83Å; W70-V325 HydrophobicContact CZ2-CG2 3.62Å; W70-Q437 WeakPolarHBondContact CH2-O 3.31Å; W70-Q437 WeakPolarHBondContact CZ3-O 3.43Å; W70-S439 VanDerWaalsContact CZ2-OG 3.29Å; W70-S439 WeakPolarHBondContact CZ2-OG 3.37Å
71	Q	94.3	Very high	94.3	Very high	97 Å²	97	51.3 Å²	51.3	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-58.5	-32.6	179.5	-171.4	175.5	46.7	0	0	112.9	D69 Q74	D69-Q71 PolarHBondContact O-N 2.69Å; Q71-Q74 PolarHBondContact O-NE2 3.15Å
72	Q	95.7	Very high	94.3	Very high	102 Å²	102	46.8 Å²	46.8	48%	0.477	24%	0.235	S	C	.	.	H	α-helix	trans	-93.5	-28.5	175.3	-59.2	-57.9	-32.3	0	0	112.7	D69 W70 K76	D69-Q72 PolarHBondContact O-N 2.73Å; D69-Q72 WeakPolarHBondContact OD2-CB 3.47Å; W70-Q72 PolarHBondContact O-N 2.89Å; Q72-K76 WeakPolarHBondContact O-CD 3.39Å; Q72-K76 WeakPolarHBondContact O-CE 3.32Å; Q72-K76 PolarHBondContact O-NZ 3.08Å
73	Q	95.6	Very high	94.3	Very high	49 Å²	49	41.1 Å²	41.1	23%	0.229	21%	0.209	C	C	.	.	H	α-helix	trans	-96.7	-9.6	-172	-55.8	-53	-26.7	0	0	115.2	N66 D69 W70 E75 K76 A77 L322	N66-Q73 HydrophobicContact CB-CG 4.48Å; D69-Q73 HydrophobicContact CB-CG 3.92Å; D69-Q73 PolarHBondContact O-N 3.31Å; D69-Q73 VanDerWaalsContact O-N 3.12Å; D69-Q73 PolarHBondContact OD2-NE2 3.08Å; D69-Q73 VanDerWaalsContact OD2-NE2 3.08Å; W70-Q73 PolarHBondContact O-N 2.96Å; W70-Q73 VanDerWaalsContact O-N 3.14Å; Q73-E75 PolarHBondContact O-N 3.04Å; Q73-K76 PolarHBondContact O-N 3.27Å; Q73-A77 HydrophobicContact CB-CB 3.96Å; Q73-A77 PolarHBondContact O-N 2.87Å; Q73-L322 HydrophobicContact CB-CD1 3.71Å
74	Q	93.3	Very high	94.3	Very high	34 Å²	34	40.5 Å²	40.5	16%	0.159	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	137	171.2	59	-175.9	-35.8	0	0	111.3	W70 Q71 K76 S439	W70-Q74 WeakPolarHBondContact O-CB 3.42Å; W70-Q74 PolarHBondContact O-N 2.93Å; Q71-Q74 PolarHBondContact O-NE2 3.15Å; Q74-K76 PolarHBondContact O-N 3.27Å; Q74-S439 PolarHBondContact OE1-OG 3.25Å
75	E	88.6	Confident	94.2	Very high	122 Å²	122	40.4 Å²	40.4	57%	0.57	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.2	-4.8	-173.2	-55.1	179.8	129.3	0	0	116.3	Q73 L322 Q324	Q73-E75 PolarHBondContact O-N 3.04Å; E75-L322 PolarHBondContact N-O 2.99Å; E75-Q324 HydrophobicContact CG-CG 3.64Å; E75-Q324 PolarHBondContact OE1-NE2 2.89Å; E75-Q324 PolarHBondContact OE2-NE2 2.86Å
76	K	89.2	Confident	94.1	Very high	150 Å²	150	36.2 Å²	36.2	65%	0.652	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-58.1	-176.6	-58.7	171.2	-164.1	160.8	0	112.3	Q72 Q73 Q74	Q72-K76 WeakPolarHBondContact O-CD 3.39Å; Q72-K76 WeakPolarHBondContact O-CE 3.32Å; Q72-K76 PolarHBondContact O-NZ 3.08Å; Q73-K76 PolarHBondContact O-N 3.27Å; Q74-K76 PolarHBondContact O-N 3.27Å
77	A	90.1	Very high	93.9	Very high	11 Å²	11	34.8 Å²	34.8	9%	0.091	18%	0.179	C	C	.	.			trans	-78.6	137	-175.3	0	0	0	0	0	111.2	N66 Q73 V79 T321 L322	N66-A77 HydrophobicContact CB-CB 4.12Å; Q73-A77 HydrophobicContact CB-CB 3.96Å; Q73-A77 PolarHBondContact O-N 2.87Å; A77-V79 HydrophobicContact CB-CG1 4.32Å; A77-T321 WeakPolarHBondContact O-CA 3.32Å; A77-L322 HydrophobicContact CB-CD1 4.07Å; A77-L322 PolarHBondContact O-N 2.94Å
78	A	87.9	Confident	93.4	Very high	57 Å²	57	34.8 Å²	34.8	47%	0.471	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.1	163.6	0	0	0	0	0	108	L320	A78-L320 CarbonylContact C-O 3.5Å; A78-L320 WeakPolarHBondContact CA-O 3.45Å
79	V	91	Very high	92.5	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.012	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.3	-175.1	-60.9	0	0	0	0	110.3	N66 I67 A77 L320 L322	N66-V79 HydrophobicContact CB-CG1 4.11Å; I67-V79 HydrophobicContact CD1-CB 4.26Å; I67-V79 HydrophobicContact CD1-CG2 4.37Å; I67-V79 HydrophobicContact CG1-CB 4.07Å; I67-V79 HydrophobicContact CG1-CG1 3.93Å; I67-V79 HydrophobicContact CG1-CG2 4.06Å; A77-V79 HydrophobicContact CB-CG1 4.32Å; V79-L320 PolarHBondContact N-O 3.43Å; V79-L320 PolarHBondContact O-N 2.85Å; V79-L322 HydrophobicContact CG1-CD1 4.13Å; V79-L322 HydrophobicContact CG1-CD2 4.29Å; V79-L322 HydrophobicContact CG1-CG 3.92Å; V79-L322 HydrophobicContact CG2-CD2 3.58Å; V79-L322 HydrophobicContact CG2-CG 3.87Å
80	P	91.9	Very high	91.5	Very high	15 Å²	15	33.3 Å²	33.3	10%	0.097	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	147.3	171.4	31.5	-34.8	0	0	0	111.3	T59 D63 P317 V318	T59-P80 HydrophobicContact CG2-CG 3.82Å; D63-P80 HydrophobicContact CB-CG 4.04Å; D63-P80 WeakPolarHBondContact OD1-CD 3.39Å; P80-P317 HydrophobicContact CB-CB 3.57Å; P80-P317 HydrophobicContact CB-CG 3.52Å; P80-V318 CarbonylContact C-O 3.51Å; P80-V318 WeakPolarHBondContact CA-O 3.33Å
81	F	95	Very high	90.3	Very high	1 Å²	1	35 Å²	35	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	119.1	166.3	177.4	-119.8	0	0	0	110.6	L46 A49 P83 V285 L300 W302 P317 V318	L46-F81 HydrophobicContact CD2-CB 4.27Å; L46-F81 HydrophobicContact CD2-CD1 4.49Å; L46-F81 HydrophobicContact CD2-CD2 3.35Å; L46-F81 HydrophobicContact CD2-CE2 3.65Å; L46-F81 HydrophobicContact CD2-CG 3.8Å; L46-F81 HydrophobicContact CD2-CZ 4.3Å; A49-F81 HydrophobicContact CB-CD2 4.03Å; A49-F81 HydrophobicContact CB-CE2 3.9Å; F81-P83 HydrophobicContact CD1-CB 4.28Å; F81-P83 HydrophobicContact CE1-CB 3.7Å; F81-P83 HydrophobicContact CE1-CG 4.43Å; F81-P83 HydrophobicContact CZ-CB 4.2Å; F81-P83 WeakPolarHBondContact O-CD 3.41Å; F81-V285 HydrophobicContact CE1-CG1 4.45Å; F81-L300 HydrophobicContact CE2-CD2 4.31Å; F81-L300 HydrophobicContact CZ-CD2 4.07Å; F81-W302 HydrophobicContact CB-CH2 4.47Å; F81-W302 AromaticContact CD1-CH2 3.22Å; F81-W302 HydrophobicContact CD1-CH2 3.22Å; F81-W302 HydrophobicContact CD1-CZ2 4.01Å; F81-W302 AromaticContact CD1-CZ3 3.84Å; F81-W302 HydrophobicContact CD1-CZ3 3.84Å; F81-W302 AromaticContact CE1-CH2 3.51Å; F81-W302 HydrophobicContact CE1-CH2 3.51Å; F81-W302 HydrophobicContact CE1-CZ2 4.48Å; F81-W302 AromaticContact CE1-CZ3 3.59Å; F81-W302 HydrophobicContact CE1-CZ3 3.59Å; F81-W302 HydrophobicContact CG-CH2 4Å; F81-W302 HydrophobicContact CZ-CH2 4.5Å; F81-W302 HydrophobicContact CZ-CZ3 4.36Å; F81-P317 CarbonylContact O-C 3.46Å; F81-P317 WeakPolarHBondContact O-CA 3.5Å; F81-P317 WeakPolarHBondContact O-CB 3.29Å; F81-V318 PolarHBondContact N-O 2.77Å; F81-V318 PolarHBondContact O-N 3.31Å
82	S	94.8	Very high	89.5	Confident	22 Å²	22	30.6 Å²	30.6	15%	0.154	16%	0.158	C	C	.	.			trans	-98.2	92.7	173.6	-63.5	0	0	0	0	109.7
83	P	95.5	Very high	89.1	Confident	10 Å²	10	25.8 Å²	25.8	7%	0.065	14%	0.135	C	C	.	.			trans	-65.2	151.8	177.7	29.6	-36.7	0	0	0	110.7	F81 R85 V285 V312	F81-P83 HydrophobicContact CD1-CB 4.28Å; F81-P83 HydrophobicContact CE1-CB 3.7Å; F81-P83 HydrophobicContact CE1-CG 4.43Å; F81-P83 HydrophobicContact CZ-CB 4.2Å; F81-P83 WeakPolarHBondContact O-CD 3.41Å; P83-R85 VanDerWaalsContact C-N 3.29Å; P83-R85 PolarHBondContact O-N 3.03Å; P83-V285 HydrophobicContact CB-CG1 4.09Å; P83-V285 HydrophobicContact CB-CG2 4.45Å; P83-V285 HydrophobicContact CG-CB 4.44Å; P83-V285 HydrophobicContact CG-CG1 3.98Å; P83-V285 HydrophobicContact CG-CG2 3.76Å; P83-V312 HydrophobicContact CG-CG1 3.49Å; P83-V312 VanDerWaalsContact CG-CG1 3.49Å; P83-V312 HydrophobicContact CG-CG2 4.41Å
84	A	96	Very high	88.9	Confident	7 Å²	7	23.6 Å²	23.6	6%	0.058	13%	0.126	C	C	.	.	S	Bend	trans	-68.6	-25.8	-178.6	0	0	0	0	0	113.9	P122 Q273 Y280 S283	A84-P122 WeakPolarHBondContact O-CD 3.47Å; A84-Q273 HydrophobicContact CB-CG 3.94Å; A84-Y280 HydrophobicContact CB-CD2 4.36Å; A84-Y280 HydrophobicContact CB-CE2 3.89Å; A84-S283 PolarHBondContact N-O 2.99Å; A84-S283 PolarHBondContact N-OG 2.93Å
85	R	95.9	Very high	88.8	Confident	1 Å²	1	22.1 Å²	22.1	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	167.4	-179.8	59.2	-178.2	174.4	102.1	0.3	113	P83 P122 N264 D282 S283 V284 V285	P83-R85 VanDerWaalsContact C-N 3.29Å; P83-R85 PolarHBondContact O-N 3.03Å; R85-P122 CarbonylContact C-O 3.54Å; R85-P122 VanDerWaalsContact CA-O 3.27Å; R85-P122 WeakPolarHBondContact CA-O 3.5Å; R85-P122 HydrophobicContact CB-CB 4.02Å; R85-P122 VanDerWaalsContact CB-O 3.27Å; R85-P122 WeakPolarHBondContact CB-O 3.38Å; R85-N264 PolarHBondContact NH1-OD1 3.45Å; R85-N264 PolarHBondContact NH2-OD1 2.78Å; R85-N264 VanDerWaalsContact NH2-OD1 3.17Å; R85-D282 WeakPolarHBondContact CD-OD1 3.45Å; R85-D282 IonicContact CZ-OD1 3.42Å; R85-D282 IonicContact CZ-OD2 3.58Å; R85-D282 IonicContact NE-OD1 3.8Å; R85-D282 PolarHBondContact NE-OD1 3.24Å; R85-D282 IonicContact NE-OD2 2.71Å; R85-D282 PolarHBondContact NE-OD2 3.39Å; R85-D282 IonicContact NH2-OD1 2.64Å; R85-D282 IonicContact NH2-OD2 2.8Å; R85-D282 PolarHBondContact NH2-OD2 3.11Å; R85-S283 WeakPolarHBondContact CG-O 3.33Å; R85-S283 PolarHBondContact N-O 2.92Å; R85-V284 HydrophobicContact CG-CB 3.93Å; R85-V284 HydrophobicContact CG-CG2 4.05Å; R85-V284 WeakPolarHBondContact O-CA 3.49Å; R85-V285 PolarHBondContact O-N 3.2Å
86	V	95.4	Very high	88.9	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	141.8	176.7	172.9	0	0	0	0	110.4	L88 P122 T123 D124 V285 V312 M313	V86-L88 HydrophobicContact CG1-CD2 3.87Å; V86-L88 HydrophobicContact CG1-CG 4.12Å; V86-P122 PolarHBondContact N-O 3.26Å; V86-T123 HydrophobicContact CB-CG2 4.34Å; V86-T123 HydrophobicContact CG1-CG2 4.29Å; V86-T123 WeakPolarHBondContact O-CA 3.47Å; V86-D124 PolarHBondContact O-N 2.82Å; V86-V285 WeakPolarHBondContact CA-O 3.45Å; V86-V285 HydrophobicContact CG2-CG2 4.17Å; V86-V312 HydrophobicContact CG2-CB 3.95Å; V86-V312 HydrophobicContact CG2-CG1 3.37Å; V86-M313 HydrophobicContact CB-CG 4.14Å; V86-M313 HydrophobicContact CG1-CG 4.05Å; V86-M313 HydrophobicContact CG1-SD 4.16Å; V86-M313 HydrophobicContact CG2-CG 4.1Å
87	L	91.4	Very high	89.1	Confident	0 Å²	0	9.3 Å²	9.3	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	125.5	176.7	-169.4	72.4	0	0	0	110.9	D124 I126 I260 N264 L268 V284 V285 G286 T287	L87-D124 WeakPolarHBondContact CA-O 3.19Å; L87-D124 HydrophobicContact CD1-CB 3.92Å; L87-I126 HydrophobicContact CD1-CD1 4.15Å; L87-I260 HydrophobicContact CD1-CG1 4.36Å; L87-I260 HydrophobicContact CD2-CD1 3.98Å; L87-I260 HydrophobicContact CD2-CG1 3.66Å; L87-I260 HydrophobicContact CG-CD1 3.89Å; L87-I260 HydrophobicContact CG-CG1 3.9Å; L87-N264 HydrophobicContact CD1-CB 4.39Å; L87-N264 HydrophobicContact CD2-CB 3.9Å; L87-L268 HydrophobicContact CD1-CD1 3.8Å; L87-V284 HydrophobicContact CB-CG2 3.75Å; L87-V285 PolarHBondContact N-O 2.96Å; L87-G286 CarbonylContact O-C 3.53Å; L87-G286 WeakPolarHBondContact O-CA 3.36Å; L87-T287 PolarHBondContact O-N 2.87Å
88	L	88.9	Confident	89.3	Confident	0 Å²	0	9 Å²	9	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.9	-177.7	-58.3	177.1	0	0	0	111	V86 T123 D124 L125 I126 T287 M313	V86-L88 HydrophobicContact CG1-CD2 3.87Å; V86-L88 HydrophobicContact CG1-CG 4.12Å; L88-T123 HydrophobicContact CD1-CG2 3.6Å; L88-T123 HydrophobicContact CG-CG2 4.05Å; L88-D124 PolarHBondContact N-O 3.42Å; L88-L125 HydrophobicContact CB-CB 4.19Å; L88-L125 HydrophobicContact CB-CD1 4.19Å; L88-L125 HydrophobicContact CB-CG 4Å; L88-L125 HydrophobicContact CD1-CD1 4.14Å; L88-L125 CarbonylContact O-C 3.56Å; L88-L125 WeakPolarHBondContact O-CA 3.29Å; L88-I126 PolarHBondContact O-N 3.06Å; L88-T287 HydrophobicContact CD2-CG2 3.57Å; L88-M313 HydrophobicContact CD1-CE 4.26Å; L88-M313 HydrophobicContact CD1-SD 3.9Å; L88-M313 HydrophobicContact CD2-SD 4.44Å
89	Q	77.6	Confident	89.6	Confident	15 Å²	15	6.4 Å²	6.4	7%	0.07	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	159.8	159.9	50.5	84.8	-12.5	0	0	111.3	F91 T92 G93 I126 I260	Q89-F91 PolarHBondContact O-N 3.31Å; Q89-T92 WeakPolarHBondContact CG-OG1 3.42Å; Q89-T92 PolarHBondContact NE2-OG1 2.9Å; Q89-T92 CarbonylContact O-C 3.41Å; Q89-T92 PolarHBondContact O-N 3.09Å; Q89-T92 VanDerWaalsContact O-N 3.09Å; Q89-T92 PolarHBondContact O-OG1 2.95Å; Q89-T92 PolarHBondContact OE1-OG1 3.15Å; Q89-G93 PolarHBondContact O-N 3.05Å; Q89-I126 WeakPolarHBondContact CA-O 3.42Å; Q89-I260 HydrophobicContact CB-CD1 3.64Å; Q89-I260 HydrophobicContact CG-CD1 4.18Å
90	D	75.1	Confident	89.7	Confident	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-65.5	-25.5	-165.5	60.2	-75.6	0	0	0	117	I94 I126 V127 D128 H129 S130 R236 F240	D90-I94 VanDerWaalsContact O-CG1 3.24Å; D90-I94 WeakPolarHBondContact O-CG1 3.3Å; D90-I94 PolarHBondContact O-N 3.32Å; D90-I126 PolarHBondContact N-O 3.01Å; D90-I126 VanDerWaalsContact N-O 3.15Å; D90-V127 HydrophobicContact CB-CB 4.32Å; D90-V127 HydrophobicContact CB-CG1 3.95Å; D90-V127 HydrophobicContact CB-CG2 4.31Å; D90-D128 PolarHBondContact OD1-N 3.12Å; D90-H129 WeakPolarHBondContact OD1-CA 3.41Å; D90-H129 WeakPolarHBondContact OD1-CB 3.33Å; D90-H129 PolarHBondContact OD1-N 3.25Å; D90-S130 PolarHBondContact OD2-N 3.28Å; D90-S130 PolarHBondContact OD2-OG 2.73Å; D90-R236 PolarHBondContact O-NH2 3.13Å; D90-R236 VanDerWaalsContact O-NH2 3.11Å; D90-R236 IonicContact OD2-CZ 2.69Å; D90-R236 IonicContact OD2-NH1 2.81Å; D90-R236 IonicContact OD2-NH2 3.6Å; D90-R236 PolarHBondContact OD2-NH2 3.18Å; D90-F240 HydrophobicContact CB-CE2 3.65Å; D90-F240 HydrophobicContact CB-CZ 4.05Å
91	F	72.7	Confident	89.8	Confident	39 Å²	39	5.6 Å²	5.6	17%	0.171	3%	0.032	C	C	.	.	H	α-helix	trans	-76	-28.3	174.1	-72.3	5.3	0	0	0	111.9	Q89 P95 H129 R796	Q89-F91 PolarHBondContact O-N 3.31Å; F91-P95 WeakPolarHBondContact O-CD 3.41Å; F91-H129 HydrophobicContact CD1-CB 4.12Å; F91-H129 HydrophobicContact CD2-CB 4.33Å; F91-H129 HydrophobicContact CE1-CB 4.12Å; F91-H129 WeakPolarHBondContact CE1-O 3.15Å; F91-H129 HydrophobicContact CE2-CB 4.34Å; F91-H129 HydrophobicContact CG-CB 4.23Å; F91-H129 HydrophobicContact CZ-CB 4.23Å; F91-H129 WeakPolarHBondContact CZ-O 3.44Å; F91-R796 WeakPolarHBondContact O-CD 3.3Å; F91-R796 PolarHBondContact O-NH1 2.82Å
92	T	78	Confident	89.8	Confident	6 Å²	6	5.7 Å²	5.7	4%	0.037	3%	0.033	C	C	.	.	H	α-helix	trans	-95.6	-27.1	177.6	40.5	0	0	0	0	113.3	Q89 P95 T287 R796	Q89-T92 WeakPolarHBondContact CG-OG1 3.42Å; Q89-T92 PolarHBondContact NE2-OG1 2.9Å; Q89-T92 CarbonylContact O-C 3.41Å; Q89-T92 PolarHBondContact O-N 3.09Å; Q89-T92 VanDerWaalsContact O-N 3.09Å; Q89-T92 PolarHBondContact O-OG1 2.95Å; Q89-T92 PolarHBondContact OE1-OG1 3.15Å; T92-P95 WeakPolarHBondContact O-CD 3.46Å; T92-P95 VanDerWaalsContact O-CG 3.32Å; T92-P95 WeakPolarHBondContact O-CG 3.39Å; T92-T287 WeakPolarHBondContact CB-OG1 3.47Å; T92-T287 VanDerWaalsContact OG1-CB 3.31Å; T92-T287 WeakPolarHBondContact OG1-CB 3.48Å; T92-T287 PolarHBondContact OG1-OG1 2.88Å; T92-R796 VanDerWaalsContact CG2-NH1 3.34Å
93	G	87.9	Confident	89.8	Confident	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-78.9	-32.4	179.7	0	0	0	0	0	113.6	Q89 A96 M97	Q89-G93 PolarHBondContact O-N 3.05Å; G93-A96 PolarHBondContact O-N 3.17Å; G93-M97 WeakPolarHBondContact O-CB 3.25Å; G93-M97 VanDerWaalsContact O-CG 3.31Å; G93-M97 WeakPolarHBondContact O-CG 3.49Å; G93-M97 PolarHBondContact O-N 3.33Å
94	I	90.4	Very high	89.7	Confident	4 Å²	4	4.2 Å²	4.2	2%	0.021	2%	0.022	C	C	.	.	H	α-helix	trans	-51	-58	172.7	-75.9	-65.3	0	0	0	111.6	D90 M97 V98 R236 F239 F240 I726 G797	D90-I94 VanDerWaalsContact O-CG1 3.24Å; D90-I94 WeakPolarHBondContact O-CG1 3.3Å; D90-I94 PolarHBondContact O-N 3.32Å; I94-M97 PolarHBondContact O-N 3.46Å; I94-V98 HydrophobicContact CG2-CG2 4.31Å; I94-V98 WeakPolarHBondContact O-CB 3.41Å; I94-V98 VanDerWaalsContact O-CG2 3.29Å; I94-V98 WeakPolarHBondContact O-CG2 3.42Å; I94-V98 PolarHBondContact O-N 3.3Å; I94-R236 HydrophobicContact CD1-CB 3.87Å; I94-R236 HydrophobicContact CD1-CG 4.17Å; I94-R236 HydrophobicContact CG1-CG 4.49Å; I94-F239 HydrophobicContact CD1-CD1 3.8Å; I94-F239 HydrophobicContact CD1-CE1 4.48Å; I94-F240 HydrophobicContact CB-CE1 4.47Å; I94-F240 HydrophobicContact CB-CZ 4.23Å; I94-F240 HydrophobicContact CD1-CD1 4Å; I94-F240 HydrophobicContact CD1-CD2 4.16Å; I94-F240 HydrophobicContact CD1-CE1 3.46Å; I94-F240 VanDerWaalsContact CD1-CE1 3.46Å; I94-F240 HydrophobicContact CD1-CE2 3.66Å; I94-F240 HydrophobicContact CD1-CG 4.33Å; I94-F240 HydrophobicContact CD1-CZ 3.31Å; I94-F240 HydrophobicContact CG1-CE1 3.9Å; I94-F240 HydrophobicContact CG1-CE2 3.93Å; I94-F240 HydrophobicContact CG1-CZ 3.38Å; I94-I726 HydrophobicContact CD1-CD1 4.06Å; I94-I726 HydrophobicContact CG2-CD1 4Å; I94-G797 VanDerWaalsContact CG2-CA 3.42Å
95	P	90.9	Very high	89.6	Confident	3 Å²	3	4.9 Å²	4.9	2%	0.019	3%	0.025	C	C	.	.	H	α-helix	trans	-64.4	-44.9	-176.3	22.5	-32.4	0	0	0	112.6	F91 T92 M97 V98 D99 R796 D864	F91-P95 WeakPolarHBondContact O-CD 3.41Å; T92-P95 WeakPolarHBondContact O-CD 3.46Å; T92-P95 VanDerWaalsContact O-CG 3.32Å; T92-P95 WeakPolarHBondContact O-CG 3.39Å; P95-M97 VanDerWaalsContact C-N 3.31Å; P95-M97 PolarHBondContact O-N 3.32Å; P95-V98 WeakPolarHBondContact O-CB 3.01Å; P95-V98 PolarHBondContact O-N 3.21Å; P95-V98 VanDerWaalsContact O-N 3.07Å; P95-D99 PolarHBondContact O-N 3.1Å; P95-D99 VanDerWaalsContact O-OD2 3.07Å; P95-R796 HydrophobicContact CG-CB 4.1Å; P95-D864 WeakPolarHBondContact CB-OD2 3.45Å; P95-D864 WeakPolarHBondContact CG-OD2 3.31Å
96	A	90.8	Very high	89.5	Confident	2 Å²	2	5.1 Å²	5.1	2%	0.017	3%	0.027	C	C	.	.	H	α-helix	trans	-57	-43.1	177.7	0	0	0	0	0	112.3	G93 D99 L100 E310	G93-A96 PolarHBondContact O-N 3.17Å; A96-D99 PolarHBondContact O-N 3.2Å; A96-L100 PolarHBondContact O-N 2.98Å; A96-E310 HydrophobicContact CB-CB 4.33Å
97	M	93.9	Very high	89.3	Confident	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-73	-31.7	176.4	-64.4	-46.6	-56.1	0	0	113.1	G93 I94 P95 D99 L100 A101 L125 F239 C243 F247 V250 M313	G93-M97 WeakPolarHBondContact O-CB 3.25Å; G93-M97 VanDerWaalsContact O-CG 3.31Å; G93-M97 WeakPolarHBondContact O-CG 3.49Å; G93-M97 PolarHBondContact O-N 3.33Å; I94-M97 PolarHBondContact O-N 3.46Å; P95-M97 VanDerWaalsContact C-N 3.31Å; P95-M97 PolarHBondContact O-N 3.32Å; M97-D99 VanDerWaalsContact C-N 3.32Å; M97-L100 HydrophobicContact CE-CD1 3.88Å; M97-L100 PolarHBondContact O-N 2.88Å; M97-L100 HydrophobicContact SD-CD1 4.07Å; M97-A101 WeakPolarHBondContact O-CB 3.36Å; M97-A101 PolarHBondContact O-N 3.08Å; M97-L125 HydrophobicContact CG-CD1 4.14Å; M97-F239 HydrophobicContact CB-CE1 3.74Å; M97-F239 HydrophobicContact CB-CZ 4.06Å; M97-C243 HydrophobicContact CE-CB 4.05Å; M97-F247 HydrophobicContact CE-CB 4.37Å; M97-F247 HydrophobicContact CE-CD2 3.22Å; M97-F247 HydrophobicContact CE-CE2 3.48Å; M97-F247 VanDerWaalsContact CE-CE2 3.48Å; M97-F247 HydrophobicContact CE-CG 3.81Å; M97-F247 HydrophobicContact CE-CZ 4.26Å; M97-V250 HydrophobicContact CE-CG1 4.34Å; M97-V250 HydrophobicContact CE-CG2 3.9Å; M97-V250 HydrophobicContact SD-CG2 4.37Å; M97-M313 HydrophobicContact SD-CE 3.74Å
98	V	95.3	Very high	89.4	Confident	5 Å²	5	7 Å²	7	3%	0.03	4%	0.043	C	C	.	.	H	α-helix	trans	-63.5	-38.6	172.7	159.3	0	0	0	0	111.1	I94 P95 A101 A102 F239 W719 I726 P729	I94-V98 HydrophobicContact CG2-CG2 4.31Å; I94-V98 WeakPolarHBondContact O-CB 3.41Å; I94-V98 VanDerWaalsContact O-CG2 3.29Å; I94-V98 WeakPolarHBondContact O-CG2 3.42Å; I94-V98 PolarHBondContact O-N 3.3Å; P95-V98 WeakPolarHBondContact O-CB 3.01Å; P95-V98 PolarHBondContact O-N 3.21Å; P95-V98 VanDerWaalsContact O-N 3.07Å; V98-A101 PolarHBondContact O-N 2.86Å; V98-A102 WeakPolarHBondContact O-CB 3.39Å; V98-A102 PolarHBondContact O-N 3.01Å; V98-F239 HydrophobicContact CB-CZ 4.26Å; V98-F239 HydrophobicContact CG2-CD1 4.41Å; V98-F239 HydrophobicContact CG2-CE1 3.63Å; V98-F239 HydrophobicContact CG2-CE2 4.24Å; V98-F239 HydrophobicContact CG2-CZ 3.55Å; V98-W719 HydrophobicContact CG1-CH2 4.11Å; V98-W719 HydrophobicContact CG1-CZ3 4.38Å; V98-I726 HydrophobicContact CG2-CD1 4.41Å; V98-I726 HydrophobicContact CG2-CG2 4.18Å; V98-P729 HydrophobicContact CG1-CG 4.1Å
99	D	92.9	Very high	89.5	Confident	3 Å²	3	14.7 Å²	14.7	2%	0.016	8%	0.076	C	C	.	.	H	α-helix	trans	-71.3	-38.4	178.5	-73.1	-48.2	0	0	0	112.4	P95 A96 M97 A102 M103 E310 P729 F731 K868 L963	P95-D99 PolarHBondContact O-N 3.1Å; P95-D99 VanDerWaalsContact O-OD2 3.07Å; A96-D99 PolarHBondContact O-N 3.2Å; M97-D99 VanDerWaalsContact C-N 3.32Å; D99-A102 PolarHBondContact O-N 2.79Å; D99-M103 WeakPolarHBondContact O-CB 3.43Å; D99-M103 PolarHBondContact O-N 3Å; D99-E310 WeakPolarHBondContact CB-OE1 3.29Å; D99-P729 WeakPolarHBondContact OD1-CG 3.46Å; D99-F731 WeakPolarHBondContact OD1-CD2 3.41Å; D99-F731 WeakPolarHBondContact OD1-CE2 3.41Å; D99-K868 IonicContact OD2-NZ 3.27Å; D99-K868 PolarHBondContact OD2-NZ 2.81Å; D99-L963 HydrophobicContact CB-CD1 4.26Å
100	L	93.1	Very high	90.1	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-62.2	-40.5	168.7	-67.7	-176.3	0	0	0	112.5	A96 M97 M103 R104 V117 P119 F247 M313 L314	A96-L100 PolarHBondContact O-N 2.98Å; M97-L100 HydrophobicContact CE-CD1 3.88Å; M97-L100 PolarHBondContact O-N 2.88Å; M97-L100 HydrophobicContact SD-CD1 4.07Å; L100-M103 WeakPolarHBondContact O-CB 3.4Å; L100-M103 PolarHBondContact O-N 3.49Å; L100-R104 PolarHBondContact O-N 2.95Å; L100-V117 HydrophobicContact CD2-CG1 4.21Å; L100-P119 HydrophobicContact CD1-CG 3.87Å; L100-F247 HydrophobicContact CB-CE1 3.76Å; L100-F247 HydrophobicContact CB-CE2 4.41Å; L100-F247 HydrophobicContact CB-CZ 3.59Å; L100-F247 HydrophobicContact CD1-CE1 4.34Å; L100-M313 HydrophobicContact CD1-CE 3.69Å; L100-L314 HydrophobicContact CD2-CD1 4.44Å; L100-L314 HydrophobicContact CD2-CD2 3.49Å; L100-L314 VanDerWaalsContact CD2-CD2 3.49Å; L100-L314 HydrophobicContact CD2-CG 4.2Å
101	A	95.1	Very high	90.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.9	-41.4	176.1	0	0	0	0	0	111.9	M97 V98 M103 R104 D105 F239 W242 F717 W719	M97-A101 WeakPolarHBondContact O-CB 3.36Å; M97-A101 PolarHBondContact O-N 3.08Å; V98-A101 PolarHBondContact O-N 2.86Å; A101-M103 VanDerWaalsContact C-N 3.33Å; A101-R104 WeakPolarHBondContact O-CB 3.33Å; A101-R104 PolarHBondContact O-N 3.45Å; A101-D105 PolarHBondContact O-N 2.84Å; A101-F239 HydrophobicContact CB-CE2 4.29Å; A101-F239 HydrophobicContact CB-CZ 4.39Å; A101-W242 HydrophobicContact CB-CH2 3.66Å; A101-W242 HydrophobicContact CB-CZ3 3.75Å; A101-F717 HydrophobicContact CB-CB 4.25Å; A101-W719 HydrophobicContact CB-CH2 4.01Å; A101-W719 HydrophobicContact CB-CZ2 3.9Å
102	A	95	Very high	91.7	Very high	3 Å²	3	19 Å²	19	3%	0.025	12%	0.118	C	C	.	.	H	α-helix	trans	-72.1	-27.2	175.7	0	0	0	0	0	113	V98 D99 D105 A106 W719 P729 F732	V98-A102 WeakPolarHBondContact O-CB 3.39Å; V98-A102 PolarHBondContact O-N 3.01Å; D99-A102 PolarHBondContact O-N 2.79Å; A102-D105 WeakPolarHBondContact O-CB 3.3Å; A102-D105 PolarHBondContact O-N 2.93Å; A102-A106 PolarHBondContact O-N 2.89Å; A102-A106 VanDerWaalsContact O-N 3.08Å; A102-W719 HydrophobicContact CB-CZ2 4.31Å; A102-P729 HydrophobicContact CB-CG 3.91Å; A102-F732 HydrophobicContact CB-CD2 3.92Å; A102-F732 HydrophobicContact CB-CE2 3.87Å; A102-F732 WeakPolarHBondContact O-CD2 3.29Å
103	M	93.1	Very high	92.4	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-40.7	170.2	-170.1	-179.9	-59.5	0	0	110.9	D99 L100 A101 D105 A106 V107 V117 L314 F732 L963 V966 A967	D99-M103 WeakPolarHBondContact O-CB 3.43Å; D99-M103 PolarHBondContact O-N 3Å; L100-M103 WeakPolarHBondContact O-CB 3.4Å; L100-M103 PolarHBondContact O-N 3.49Å; A101-M103 VanDerWaalsContact C-N 3.33Å; M103-D105 PolarHBondContact O-N 2.75Å; M103-A106 WeakPolarHBondContact O-CB 3.48Å; M103-A106 PolarHBondContact O-N 3.45Å; M103-A106 VanDerWaalsContact O-N 3.08Å; M103-V107 HydrophobicContact CG-CG2 4.45Å; M103-V107 WeakPolarHBondContact O-CG2 3.46Å; M103-V107 PolarHBondContact O-N 2.68Å; M103-V117 HydrophobicContact CB-CG1 4.18Å; M103-V117 HydrophobicContact CG-CG1 4.11Å; M103-V117 HydrophobicContact CG-CG2 4.17Å; M103-V117 HydrophobicContact SD-CG1 3.88Å; M103-V117 HydrophobicContact SD-CG2 4.39Å; M103-L314 HydrophobicContact CE-CD1 3.86Å; M103-F732 HydrophobicContact CB-CE1 4.4Å; M103-F732 HydrophobicContact CB-CE2 4.1Å; M103-F732 HydrophobicContact CB-CZ 3.82Å; M103-F732 HydrophobicContact CE-CE1 4.3Å; M103-F732 HydrophobicContact CE-CZ 4.01Å; M103-F732 HydrophobicContact CG-CE1 4.37Å; M103-F732 HydrophobicContact CG-CZ 4.24Å; M103-L963 HydrophobicContact CE-CB 4.29Å; M103-L963 HydrophobicContact CE-CD2 4.39Å; M103-V966 HydrophobicContact CE-CB 4.25Å; M103-V966 HydrophobicContact CE-CG1 4.22Å; M103-V966 HydrophobicContact SD-CB 4.4Å; M103-V966 HydrophobicContact SD-CG1 3.87Å; M103-A967 HydrophobicContact CG-CB 3.95Å; M103-A967 HydrophobicContact SD-CB 4.37Å
104	R	94.6	Very high	92.5	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-56.9	-46.4	170.8	-76.7	-168.5	172.4	-170.6	-0.2	112.3	L100 A101 A106 V107 A108 P114 D115 V117 N118 A246 F247 V715 V716	L100-R104 PolarHBondContact O-N 2.95Å; A101-R104 WeakPolarHBondContact O-CB 3.33Å; A101-R104 PolarHBondContact O-N 3.45Å; R104-A106 VanDerWaalsContact C-N 3.26Å; R104-A106 PolarHBondContact O-N 2.79Å; R104-V107 PolarHBondContact O-N 2.85Å; R104-A108 VanDerWaalsContact O-CB 3.28Å; R104-A108 WeakPolarHBondContact O-CB 3.26Å; R104-A108 PolarHBondContact O-N 3.37Å; R104-P114 HydrophobicContact CB-CB 3.8Å; R104-P114 HydrophobicContact CG-CB 3.94Å; R104-P114 WeakPolarHBondContact CG-O 3.34Å; R104-P114 PolarHBondContact NE-O 2.84Å; R104-D115 IonicContact CZ-OD1 3.25Å; R104-D115 IonicContact NH1-OD1 3Å; R104-D115 PolarHBondContact NH1-OD1 3.32Å; R104-D115 IonicContact NH2-OD1 2.68Å; R104-D115 PolarHBondContact NH2-OD1 2.85Å; R104-V117 HydrophobicContact CG-CB 3.75Å; R104-V117 HydrophobicContact CG-CG1 4.15Å; R104-V117 HydrophobicContact CG-CG2 4.24Å; R104-V117 PolarHBondContact NE-O 2.9Å; R104-V117 VanDerWaalsContact NE-O 3.11Å; R104-V117 PolarHBondContact NH2-O 3.48Å; R104-N118 PolarHBondContact NH2-OD1 3.1Å; R104-A246 VanDerWaalsContact CZ-O 3.27Å; R104-A246 PolarHBondContact NH1-O 3.19Å; R104-A246 PolarHBondContact NH2-O 2.87Å; R104-F247 HydrophobicContact CG-CE1 4.37Å; R104-F247 VanDerWaalsContact NE-CE1 3.3Å; R104-V715 VanDerWaalsContact CD-O 3.28Å; R104-V715 WeakPolarHBondContact CD-O 3.27Å; R104-V715 PolarHBondContact NH1-O 2.82Å; R104-V716 HydrophobicContact CB-CG1 4.4Å
105	D	94.3	Very high	92.5	Very high	20 Å²	20	26.2 Å²	26.2	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-57.3	-40.5	173.7	-70.1	-15.2	0	0	0	112.3	A101 A102 M103 K109 W719	A101-D105 PolarHBondContact O-N 2.84Å; A102-D105 WeakPolarHBondContact O-CB 3.3Å; A102-D105 PolarHBondContact O-N 2.93Å; M103-D105 PolarHBondContact O-N 2.75Å; D105-K109 WeakPolarHBondContact O-CB 3.46Å; D105-K109 VanDerWaalsContact O-CD 3.28Å; D105-K109 WeakPolarHBondContact O-CD 3.37Å; D105-K109 WeakPolarHBondContact O-CG 3.13Å; D105-K109 PolarHBondContact O-N 2.92Å; D105-W719 PolarHBondContact OD2-NE1 3.02Å
106	A	92.8	Very high	92.4	Very high	6 Å²	6	29.1 Å²	29.1	5%	0.05	17%	0.173	C	C	.	.	H	α-helix	trans	-69.7	-41.1	-177.7	0	0	0	0	0	112.3	A102 M103 R104 H110 F732 L735	A102-A106 PolarHBondContact O-N 2.89Å; A102-A106 VanDerWaalsContact O-N 3.08Å; M103-A106 WeakPolarHBondContact O-CB 3.48Å; M103-A106 PolarHBondContact O-N 3.45Å; M103-A106 VanDerWaalsContact O-N 3.08Å; R104-A106 VanDerWaalsContact C-N 3.26Å; R104-A106 PolarHBondContact O-N 2.79Å; A106-H110 PolarHBondContact O-ND1 2.71Å; A106-F732 HydrophobicContact CB-CB 3.51Å; A106-F732 HydrophobicContact CB-CD1 4.16Å; A106-F732 HydrophobicContact CB-CD2 4.36Å; A106-F732 HydrophobicContact CB-CG 3.77Å; A106-L735 HydrophobicContact CB-CD2 3.98Å
107	V	91.8	Very high	92.4	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.8	-47.4	175.6	172.6	0	0	0	0	110.4	M103 R104 K109 H110 V112 V117 V970 V971	M103-V107 HydrophobicContact CG-CG2 4.45Å; M103-V107 WeakPolarHBondContact O-CG2 3.46Å; M103-V107 PolarHBondContact O-N 2.68Å; R104-V107 PolarHBondContact O-N 2.85Å; V107-K109 VanDerWaalsContact C-N 3.34Å; V107-K109 PolarHBondContact O-N 3.4Å; V107-H110 WeakPolarHBondContact O-CA 2.95Å; V107-H110 PolarHBondContact O-N 3.42Å; V107-V112 HydrophobicContact CG1-CB 3.72Å; V107-V112 HydrophobicContact CG1-CG1 3.63Å; V107-V112 PolarHBondContact O-N 3.08Å; V107-V117 HydrophobicContact CB-CG2 4.32Å; V107-V117 HydrophobicContact CG2-CG2 3.77Å; V107-V970 HydrophobicContact CG1-CG1 3.79Å; V107-V970 HydrophobicContact CG2-CB 4.17Å; V107-V970 HydrophobicContact CG2-CG1 3.9Å; V107-V971 HydrophobicContact CB-CG2 4.44Å; V107-V971 HydrophobicContact CG2-CG2 4.13Å
108	A	92.8	Very high	92.3	Very high	40 Å²	40	30.1 Å²	30.1	33%	0.331	18%	0.177	S	C	.	.	H	α-helix	trans	-59.8	-40	177.1	0	0	0	0	0	112.8	R104 H110 G111 V112 P114 V716	R104-A108 VanDerWaalsContact O-CB 3.28Å; R104-A108 WeakPolarHBondContact O-CB 3.26Å; R104-A108 PolarHBondContact O-N 3.37Å; A108-H110 PolarHBondContact O-N 2.91Å; A108-G111 PolarHBondContact O-N 2.79Å; A108-V112 WeakPolarHBondContact CA-O 3.48Å; A108-P114 HydrophobicContact CB-CB 4.33Å; A108-P114 HydrophobicContact CB-CG 4.19Å; A108-V716 HydrophobicContact CB-CG1 4.49Å
109	K	92.1	Very high	92.2	Very high	162 Å²	162	30 Å²	30	70%	0.704	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-19.6	174.2	-77.3	163.8	-170.2	159.6	0	114	D105 V107	D105-K109 WeakPolarHBondContact O-CB 3.46Å; D105-K109 VanDerWaalsContact O-CD 3.28Å; D105-K109 WeakPolarHBondContact O-CD 3.37Å; D105-K109 WeakPolarHBondContact O-CG 3.13Å; D105-K109 PolarHBondContact O-N 2.92Å; V107-K109 VanDerWaalsContact C-N 3.34Å; V107-K109 PolarHBondContact O-N 3.4Å
110	H	90.6	Very high	92.1	Very high	53 Å²	53	37 Å²	37	25%	0.245	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	7	175.2	-73.3	85.1	0	0	0	113.5	A106 V107 A108 L735 V971	A106-H110 PolarHBondContact O-ND1 2.71Å; V107-H110 WeakPolarHBondContact O-CA 2.95Å; V107-H110 PolarHBondContact O-N 3.42Å; A108-H110 PolarHBondContact O-N 2.91Å; H110-L735 PolarHBondContact CE1-O 3.4Å; H110-L735 PolarHBondContact NE2-O 3.5Å; H110-V971 HydrophobicContact CB-CG1 3.74Å; H110-V971 HydrophobicContact CB-CG2 3.85Å
111	G	89.8	Confident	92	Very high	75 Å²	75	37.8 Å²	37.8	77%	0.773	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	20.4	179	0	0	0	0	0	114.2	A108	A108-G111 PolarHBondContact O-N 2.79Å
112	V	91.2	Very high	92	Very high	15 Å²	15	39.3 Å²	39.3	9%	0.091	22%	0.222	C	C	.	.	S	Bend	trans	-108.4	148.7	177.6	174.2	0	0	0	0	109.3	V107 A108 P114 L116 V970	V107-V112 HydrophobicContact CG1-CB 3.72Å; V107-V112 HydrophobicContact CG1-CG1 3.63Å; V107-V112 PolarHBondContact O-N 3.08Å; A108-V112 WeakPolarHBondContact CA-O 3.48Å; V112-P114 VanDerWaalsContact O-CD 3.32Å; V112-P114 WeakPolarHBondContact O-CD 3.5Å; V112-L116 HydrophobicContact CG1-CD1 3.92Å; V112-V970 HydrophobicContact CG1-CG1 4.39Å
113	D	91.1	Very high	92	Very high	88 Å²	88	39.2 Å²	39.2	47%	0.471	22%	0.221	S	C	.	.			trans	-61.5	118.1	-178.5	-179.8	11.8	0	0	0	111.9	D115 L116	D113-D115 PolarHBondContact O-N 2.76Å; D113-D115 PolarHBondContact OD1-N 3.06Å; D113-L116 HydrophobicContact CB-CD1 4.44Å; D113-L116 HydrophobicContact CB-CG 4.27Å; D113-L116 WeakPolarHBondContact O-CB 3.3Å; D113-L116 PolarHBondContact O-N 3.34Å
114	P	91.9	Very high	91.9	Very high	20 Å²	20	39.6 Å²	39.6	13%	0.13	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-63.6	-21.4	175	24.5	-32.6	0	0	0	114.2	R104 A108 V112 L116 V117 V715 V716	R104-P114 HydrophobicContact CB-CB 3.8Å; R104-P114 HydrophobicContact CG-CB 3.94Å; R104-P114 WeakPolarHBondContact CG-O 3.34Å; R104-P114 PolarHBondContact NE-O 2.84Å; A108-P114 HydrophobicContact CB-CB 4.33Å; A108-P114 HydrophobicContact CB-CG 4.19Å; V112-P114 VanDerWaalsContact O-CD 3.32Å; V112-P114 WeakPolarHBondContact O-CD 3.5Å; P114-L116 PolarHBondContact O-N 2.58Å; P114-V117 WeakPolarHBondContact O-CB 3.46Å; P114-V117 PolarHBondContact O-N 2.63Å; P114-V715 HydrophobicContact CB-CG1 4.01Å; P114-V715 HydrophobicContact CG-CG1 3.67Å; P114-V716 HydrophobicContact CB-CG1 4.23Å; P114-V716 HydrophobicContact CG-CG1 4.17Å
115	D	90.4	Very high	91.7	Very high	54 Å²	54	39.6 Å²	39.6	29%	0.289	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-70.9	-4	176	-89.1	-37.1	0	0	0	113.9	R104 D113 V117 N118 V715	R104-D115 IonicContact CZ-OD1 3.25Å; R104-D115 IonicContact NH1-OD1 3Å; R104-D115 PolarHBondContact NH1-OD1 3.32Å; R104-D115 IonicContact NH2-OD1 2.68Å; R104-D115 PolarHBondContact NH2-OD1 2.85Å; D113-D115 PolarHBondContact O-N 2.76Å; D113-D115 PolarHBondContact OD1-N 3.06Å; D115-V117 VanDerWaalsContact C-N 3.26Å; D115-N118 PolarHBondContact O-ND2 2.93Å; D115-V715 HydrophobicContact CB-CG1 4.36Å; D115-V715 VanDerWaalsContact CG-CG1 3.45Å; D115-V715 WeakPolarHBondContact OD1-CG1 3.44Å; D115-V715 VanDerWaalsContact OD2-CG2 3.29Å; D115-V715 WeakPolarHBondContact OD2-CG2 3.08Å
116	L	88.6	Confident	91	Very high	65 Å²	65	38.7 Å²	38.7	34%	0.34	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-73.2	-18.5	165.4	-61.5	177.8	0	0	0	112.8	V112 D113 P114 N118 V970	V112-L116 HydrophobicContact CG1-CD1 3.92Å; D113-L116 HydrophobicContact CB-CD1 4.44Å; D113-L116 HydrophobicContact CB-CG 4.27Å; D113-L116 WeakPolarHBondContact O-CB 3.3Å; D113-L116 PolarHBondContact O-N 3.34Å; P114-L116 PolarHBondContact O-N 2.58Å; L116-N118 PolarHBondContact O-N 2.66Å; L116-V970 HydrophobicContact CB-CG1 3.77Å; L116-V970 HydrophobicContact CD1-CG1 4.35Å
117	V	91	Very high	90.1	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.024	22%	0.217	C	C	.	.			trans	-87.8	99.3	175.4	-175.3	0	0	0	0	109.5	L100 M103 R104 V107 P114 D115 F247 V970	L100-V117 HydrophobicContact CD2-CG1 4.21Å; M103-V117 HydrophobicContact CB-CG1 4.18Å; M103-V117 HydrophobicContact CG-CG1 4.11Å; M103-V117 HydrophobicContact CG-CG2 4.17Å; M103-V117 HydrophobicContact SD-CG1 3.88Å; M103-V117 HydrophobicContact SD-CG2 4.39Å; R104-V117 HydrophobicContact CG-CB 3.75Å; R104-V117 HydrophobicContact CG-CG1 4.15Å; R104-V117 HydrophobicContact CG-CG2 4.24Å; R104-V117 PolarHBondContact NE-O 2.9Å; R104-V117 VanDerWaalsContact NE-O 3.11Å; R104-V117 PolarHBondContact NH2-O 3.48Å; V107-V117 HydrophobicContact CB-CG2 4.32Å; V107-V117 HydrophobicContact CG2-CG2 3.77Å; P114-V117 WeakPolarHBondContact O-CB 3.46Å; P114-V117 PolarHBondContact O-N 2.63Å; D115-V117 VanDerWaalsContact C-N 3.26Å; V117-F247 WeakPolarHBondContact O-CD1 3.4Å; V117-F247 WeakPolarHBondContact O-CE1 3.3Å; V117-V970 HydrophobicContact CG2-CG1 4.3Å
118	N	91.8	Very high	88.7	Confident	18 Å²	18	40.4 Å²	40.4	10%	0.096	23%	0.227	C	C	.	.			trans	-145.8	149.7	175.4	-78.1	-62.1	0	0	0	110.6	R104 D115 L116 K120 F247 K248	R104-N118 PolarHBondContact NH2-OD1 3.1Å; D115-N118 PolarHBondContact O-ND2 2.93Å; L116-N118 PolarHBondContact O-N 2.66Å; N118-K120 PolarHBondContact O-N 3.14Å; N118-F247 VanDerWaalsContact OD1-CA 3.25Å; N118-F247 WeakPolarHBondContact OD1-CA 3.39Å; N118-K248 HydrophobicContact CB-CB 4.25Å; N118-K248 PolarHBondContact OD1-N 3.04Å
119	P	92.9	Very high	87.1	Confident	2 Å²	2	41.8 Å²	41.8	1%	0.013	23%	0.227	C	C	.	.			trans	-55.1	135	168.4	-28.9	38.2	0	0	0	113.1	L100 N249 V250 M313	L100-P119 HydrophobicContact CD1-CG 3.87Å; P119-N249 HydrophobicContact CB-CB 4.49Å; P119-N249 PolarHBondContact O-ND2 3.09Å; P119-V250 HydrophobicContact CG-CG2 3.68Å; P119-M313 CarbonylContact C-O 3.57Å; P119-M313 WeakPolarHBondContact CA-O 3.46Å; P119-M313 HydrophobicContact CB-CB 4.22Å; P119-M313 HydrophobicContact CG-CE 4.03Å
120	K	90.7	Very high	85.1	Confident	152 Å²	152	34.2 Å²	34.2	66%	0.661	19%	0.194	S	C	*	.	S	Bend	trans	-78.3	-23.5	-178.4	-61.5	-57.9	-174.9	-179	0	113.3	N118 M313	N118-K120 PolarHBondContact O-N 3.14Å; K120-M313 PolarHBondContact N-O 2.61Å
121	C	91.2	Very high	83.1	Confident	15 Å²	15	36.1 Å²	36.1	10%	0.101	21%	0.205	C	C	.	.	S	Bend	trans	-120.3	158.2	174	63.3	0	0	0	0	111.1	T123	C121-T123 PolarHBondContact O-N 3.47Å; C121-T123 PolarHBondContact O-OG1 2.94Å
122	P	94.5	Very high	81	Confident	32 Å²	32	35.4 Å²	35.4	21%	0.208	18%	0.182	C	C	.	.			trans	-48.5	130.4	167.6	-27.1	34.9	0	0	0	111.5	A84 R85 V86	A84-P122 WeakPolarHBondContact O-CD 3.47Å; R85-P122 CarbonylContact C-O 3.54Å; R85-P122 VanDerWaalsContact CA-O 3.27Å; R85-P122 WeakPolarHBondContact CA-O 3.5Å; R85-P122 HydrophobicContact CB-CB 4.02Å; R85-P122 VanDerWaalsContact CB-O 3.27Å; R85-P122 WeakPolarHBondContact CB-O 3.38Å; V86-P122 PolarHBondContact N-O 3.26Å
123	T	94.4	Very high	78.7	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	107.8	-178.6	-56.9	0	0	0	0	108.3	V86 L88 C121 N249 V250 N251 M313	V86-T123 HydrophobicContact CB-CG2 4.34Å; V86-T123 HydrophobicContact CG1-CG2 4.29Å; V86-T123 WeakPolarHBondContact O-CA 3.47Å; L88-T123 HydrophobicContact CD1-CG2 3.6Å; L88-T123 HydrophobicContact CG-CG2 4.05Å; C121-T123 PolarHBondContact O-N 3.47Å; C121-T123 PolarHBondContact O-OG1 2.94Å; T123-N249 PolarHBondContact N-O 3.23Å; T123-V250 WeakPolarHBondContact O-CA 3.43Å; T123-N251 PolarHBondContact O-N 2.88Å; T123-M313 HydrophobicContact CG2-CE 3.98Å; T123-M313 HydrophobicContact CG2-CG 4.13Å; T123-M313 HydrophobicContact CG2-SD 3.91Å
124	D	92.4	Very high	76.4	Confident	9 Å²	9	39.5 Å²	39.5	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.2	178.7	-66.8	-63.6	0	0	0	109.8	V86 L87 L88 N251 L268	V86-D124 PolarHBondContact O-N 2.82Å; L87-D124 WeakPolarHBondContact CA-O 3.19Å; L87-D124 HydrophobicContact CD1-CB 3.92Å; L88-D124 PolarHBondContact N-O 3.42Å; D124-N251 VanDerWaalsContact OD1-CB 3.32Å; D124-N251 WeakPolarHBondContact OD1-CB 3.48Å; D124-N251 PolarHBondContact OD1-ND2 3.42Å; D124-L268 HydrophobicContact CB-CD1 3.48Å; D124-L268 VanDerWaalsContact CB-CD1 3.48Å; D124-L268 HydrophobicContact CB-CD2 4.29Å; D124-L268 HydrophobicContact CB-CG 4.46Å; D124-L268 WeakPolarHBondContact OD1-CD2 3.45Å
125	L	88.9	Confident	73.9	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.8	177	-170.3	152	0	0	0	110.5	L88 M97 V127 F240 N251 V252 V253	L88-L125 HydrophobicContact CB-CB 4.19Å; L88-L125 HydrophobicContact CB-CD1 4.19Å; L88-L125 HydrophobicContact CB-CG 4Å; L88-L125 HydrophobicContact CD1-CD1 4.14Å; L88-L125 CarbonylContact O-C 3.56Å; L88-L125 WeakPolarHBondContact O-CA 3.29Å; M97-L125 HydrophobicContact CG-CD1 4.14Å; L125-V127 HydrophobicContact CD2-CG2 3.87Å; L125-F240 HydrophobicContact CD1-CD1 3.84Å; L125-F240 HydrophobicContact CD1-CE1 3.29Å; L125-F240 HydrophobicContact CD1-CZ 3.71Å; L125-F240 HydrophobicContact CD2-CD1 4.06Å; L125-F240 HydrophobicContact CD2-CD2 3.96Å; L125-F240 HydrophobicContact CD2-CE1 3.84Å; L125-F240 HydrophobicContact CD2-CE2 3.72Å; L125-F240 HydrophobicContact CD2-CG 4.11Å; L125-F240 HydrophobicContact CD2-CZ 3.62Å; L125-F240 HydrophobicContact CG-CE1 4.23Å; L125-F240 HydrophobicContact CG-CZ 4.27Å; L125-N251 PolarHBondContact N-O 3.05Å; L125-V252 HydrophobicContact CB-CG2 4.31Å; L125-V252 HydrophobicContact CD2-CG1 4.16Å; L125-V252 CarbonylContact O-C 3.44Å; L125-V252 WeakPolarHBondContact O-CA 3.37Å; L125-V253 PolarHBondContact O-N 3.33Å
126	I	81	Confident	71.4	Confident	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.5	-178	-52.4	-169.4	0	0	0	109.6	L87 L88 Q89 D90 D128 V253 I260 V263 L268	L87-I126 HydrophobicContact CD1-CD1 4.15Å; L88-I126 PolarHBondContact O-N 3.06Å; Q89-I126 WeakPolarHBondContact CA-O 3.42Å; D90-I126 PolarHBondContact N-O 3.01Å; D90-I126 VanDerWaalsContact N-O 3.15Å; I126-D128 HydrophobicContact CG2-CB 4.37Å; I126-V253 HydrophobicContact CB-CB 4.4Å; I126-V253 HydrophobicContact CD1-CG2 4.39Å; I126-V253 HydrophobicContact CG1-CB 4.04Å; I126-V253 HydrophobicContact CG1-CG2 4.03Å; I126-V253 HydrophobicContact CG2-CB 4.26Å; I126-V253 HydrophobicContact CG2-CG1 4.32Å; I126-I260 HydrophobicContact CB-CB 4.23Å; I126-I260 HydrophobicContact CB-CG1 4.38Å; I126-I260 HydrophobicContact CD1-CB 4.36Å; I126-I260 HydrophobicContact CD1-CG1 4.15Å; I126-I260 HydrophobicContact CG2-CB 4.36Å; I126-V263 HydrophobicContact CD1-CB 3.77Å; I126-V263 HydrophobicContact CD1-CG1 3.71Å; I126-L268 HydrophobicContact CD1-CD1 3.84Å
127	V	73.8	Confident	69	Low	4 Å²	4	46.6 Å²	46.6	2%	0.024	23%	0.231	C	C	.	.			trans	-103.6	95.4	179.7	-169.9	0	0	0	0	110.3	D90 L125 L237 F240 V252 V253 P255	D90-V127 HydrophobicContact CB-CB 4.32Å; D90-V127 HydrophobicContact CB-CG1 3.95Å; D90-V127 HydrophobicContact CB-CG2 4.31Å; L125-V127 HydrophobicContact CD2-CG2 3.87Å; V127-L237 HydrophobicContact CG1-CD2 3.92Å; V127-F240 HydrophobicContact CG2-CD2 3.79Å; V127-F240 HydrophobicContact CG2-CE2 3.97Å; V127-V252 HydrophobicContact CG2-CG1 4.35Å; V127-V253 PolarHBondContact N-O 3.4Å; V127-P255 HydrophobicContact CB-CG 4.11Å; V127-P255 HydrophobicContact CG1-CG 3.85Å
128	D	62.2	Low	66.4	Low	38 Å²	38	50.4 Å²	50.4	20%	0.203	26%	0.257	C	S	.	.			trans	-138.2	-23.9	-173.7	68	-23.6	0	0	0	114.7	D90 I126 S130 I260	D90-D128 PolarHBondContact OD1-N 3.12Å; I126-D128 HydrophobicContact CG2-CB 4.37Å; D128-S130 VanDerWaalsContact C-N 3.27Å; D128-S130 PolarHBondContact O-N 3.04Å; D128-I260 WeakPolarHBondContact OD2-CB 3.37Å; D128-I260 VanDerWaalsContact OD2-CG2 3.27Å; D128-I260 WeakPolarHBondContact OD2-CG2 3.34Å; D128-I260 PolarHBondContact OD2-N 3.28Å
129	H	58	Low	63.4	Low	69 Å²	69	52.8 Å²	52.8	32%	0.319	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.9	176.4	-70.2	66.6	0	0	0	113.4	D90 F91	D90-H129 WeakPolarHBondContact OD1-CA 3.41Å; D90-H129 WeakPolarHBondContact OD1-CB 3.33Å; D90-H129 PolarHBondContact OD1-N 3.25Å; F91-H129 HydrophobicContact CD1-CB 4.12Å; F91-H129 HydrophobicContact CD2-CB 4.33Å; F91-H129 HydrophobicContact CE1-CB 4.12Å; F91-H129 WeakPolarHBondContact CE1-O 3.15Å; F91-H129 HydrophobicContact CE2-CB 4.34Å; F91-H129 HydrophobicContact CG-CB 4.23Å; F91-H129 HydrophobicContact CZ-CB 4.23Å; F91-H129 WeakPolarHBondContact CZ-O 3.44Å
130	S	51.6	Low	60.5	Low	2 Å²	2	60.4 Å²	60.4	1%	0.014	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-22.2	-179.4	-80.3	0	0	0	0	114.6	D90 D128 Q132 E229 N233 R236	D90-S130 PolarHBondContact OD2-N 3.28Å; D90-S130 PolarHBondContact OD2-OG 2.73Å; D128-S130 VanDerWaalsContact C-N 3.27Å; D128-S130 PolarHBondContact O-N 3.04Å; S130-Q132 PolarHBondContact O-N 3.02Å; S130-E229 WeakPolarHBondContact CB-OE1 3.42Å; S130-N233 PolarHBondContact O-ND2 3.05Å; S130-R236 PolarHBondContact OG-NH1 2.92Å
131	L	48.3	Very low	57.6	Low	94 Å²	94	61 Å²	61	49%	0.492	32%	0.324	S	S	.	.			trans	-76.3	113.5	-171.7	-165.4	149.7	0	0	0	111.9	I133 E229	L131-I133 HydrophobicContact CD2-CG1 4.29Å; L131-E229 VanDerWaalsContact CA-CD 3.43Å; L131-E229 WeakPolarHBondContact CB-OE2 3.45Å; L131-E229 WeakPolarHBondContact CD1-OE2 3.34Å; L131-E229 WeakPolarHBondContact CG-OE2 3.43Å; L131-E229 PolarHBondContact N-OE1 3.28Å; L131-E229 VanDerWaalsContact N-OE1 3.17Å
132	Q	46	Very low	54.6	Low	59 Å²	59	68 Å²	68	28%	0.276	36%	0.36	S	S	.	.			trans	-105.5	130.4	174.6	-66.5	177.9	2.3	0	0	109.3	S130 D134 N790	S130-Q132 PolarHBondContact O-N 3.02Å; Q132-D134 PolarHBondContact O-N 2.84Å; Q132-N790 PolarHBondContact NE2-OD1 2.88Å
133	I	41.5	Very low	51.4	Low	131 Å²	131	70.3 Å²	70.3	67%	0.672	38%	0.381	S	S	*	.			trans	-80.5	87.9	177.7	-54.7	174.1	0	0	0	108.5	L131	L131-I133 HydrophobicContact CD2-CG1 4.29Å
134	D	43.6	Very low	48.5	Very low	58 Å²	58	75.2 Å²	75.2	31%	0.31	41%	0.413	S	S	.	.			trans	-80.9	-34.8	177.4	-78.3	-48.6	0	0	0	112.9	Q132 N225 M228 R232	Q132-D134 PolarHBondContact O-N 2.84Å; D134-N225 PolarHBondContact N-OD1 2.97Å; D134-M228 WeakPolarHBondContact OD2-CB 3.39Å; D134-R232 VanDerWaalsContact CG-CZ 3.48Å; D134-R232 VanDerWaalsContact CG-NH1 3.3Å; D134-R232 IonicContact OD1-CZ 2.71Å; D134-R232 IonicContact OD1-NH1 3.92Å; D134-R232 PolarHBondContact OD1-NH1 2.89Å; D134-R232 IonicContact OD1-NH2 2.58Å; D134-R232 PolarHBondContact OD1-NH2 3.34Å; D134-R232 IonicContact OD2-CZ 2.79Å; D134-R232 IonicContact OD2-NE 2.65Å; D134-R232 IonicContact OD2-NH1 3.72Å; D134-R232 PolarHBondContact OD2-NH1 3.36Å; D134-R232 IonicContact OD2-NH2 2.68Å; D134-R232 PolarHBondContact OD2-NH2 3.47Å
135	Y	39	Very low	45.3	Very low	104 Å²	104	82.4 Å²	82.4	41%	0.408	45%	0.452	S	S	.	.			trans	-118.7	132.6	179.7	-55.7	-77.6	0	0	0	109.8	T221 K224 N225 M228	Y135-T221 WeakPolarHBondContact O-CG2 3.5Å; Y135-K224 HydrophobicContact CD2-CB 3.73Å; Y135-K224 HydrophobicContact CE2-CB 3.88Å; Y135-K224 HydrophobicContact CG-CB 4.47Å; Y135-N225 WeakPolarHBondContact CD2-OD1 3.47Å; Y135-N225 PolarHBondContact N-OD1 3.26Å; Y135-N225 PolarHBondContact O-ND2 3.04Å; Y135-M228 HydrophobicContact CE2-CG 3.63Å
136	S	38.9	Very low	42.7	Very low	63 Å²	63	88 Å²	88	44%	0.441	49%	0.488	S	S	.	.			trans	-142.9	154.2	166.7	70.2	0	0	0	0	109.1	C138	S136-C138 PolarHBondContact O-N 2.81Å
137	K	36.5	Very low	40.1	Very low	122 Å²	122	91.5 Å²	91.5	53%	0.53	52%	0.524	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-9.3	176.3	-78.4	-179.8	171.4	177	0	114.3	E218	K137-E218 IonicContact NZ-OE1 2.7Å; K137-E218 PolarHBondContact NZ-OE1 3.07Å
138	C	38.1	Very low	37.9	Very low	84 Å²	84	95.8 Å²	95.8	57%	0.568	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.1	43.6	-167.4	-131.4	0	0	0	0	113.7	S136 N592	S136-C138 PolarHBondContact O-N 2.81Å; C138-N592 WeakPolarHBondContact CB-ND2 3.46Å; C138-N592 PolarHBondContact SG-ND2 3.04Å
139	A	29	Very low	36.2	Very low	68 Å²	68	97.2 Å²	97.2	56%	0.562	59%	0.593	S	S	*	*			trans	-110.6	93	169.6	0	0	0	0	0	111	Q141	A139-Q141 PolarHBondContact O-N 3.03Å
140	I	31.5	Very low	34.7	Very low	161 Å²	161	102 Å²	102	83%	0.826	62%	0.621	S	S	*	*			trans	-60.3	125	150.6	-62.6	176.6	0	0	0	105.7	N142	I140-N142 PolarHBondContact O-N 3.45Å
141	Q	30	Very low	33.5	Very low	166 Å²	166	107.4 Å²	107.4	78%	0.776	66%	0.659	S	S	*	*			trans	-64.4	103	-177.8	-68.1	-178.8	-3.3	0	0	110	A139 A143	A139-Q141 PolarHBondContact O-N 3.03Å; Q141-A143 PolarHBondContact O-N 3.24Å; Q141-A143 VanDerWaalsContact O-N 3.1Å
142	N	27.3	Very low	32.5	Very low	161 Å²	161	108.2 Å²	108.2	86%	0.861	67%	0.673	S	S	*	*			trans	-63.3	113.9	164	-80.6	-32.3	0	0	0	108.1	I140	I140-N142 PolarHBondContact O-N 3.45Å
143	A	28	Very low	31.6	Very low	80 Å²	80	113.2 Å²	113.2	66%	0.661	70%	0.701	S	S	*	*			trans	-54.6	147.9	169.6	0	0	0	0	0	109.9	Q141 N145	Q141-A143 PolarHBondContact O-N 3.24Å; Q141-A143 VanDerWaalsContact O-N 3.1Å; A143-N145 PolarHBondContact O-N 2.93Å; A143-N145 VanDerWaalsContact O-N 3.08Å
144	P	32.5	Very low	30.9	Very low	105 Å²	105	116 Å²	116	68%	0.682	71%	0.712	S	S	*	*			trans	-64	115.7	-178.1	25.8	-34.1	0	0	0	110.5	P146	P144-P146 WeakPolarHBondContact O-CD 3.45Å
145	N	26	Very low	30.1	Very low	159 Å²	159	119 Å²	119	85%	0.85	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-55.3	122.7	170.8	-95.5	-11.8	0	0	0	109.7	A143	A143-N145 PolarHBondContact O-N 2.93Å; A143-N145 VanDerWaalsContact O-N 3.08Å
146	P	34.7	Very low	29.6	Very low	119 Å²	119	123 Å²	123	77%	0.773	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-67.7	153.5	166.4	30.4	-32.8	0	0	0	109.4	P144	P144-P146 WeakPolarHBondContact O-CD 3.45Å
147	G	26.7	Very low	29.1	Very low	74 Å²	74	125.5 Å²	125.5	76%	0.763	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-63.4	147.5	-176.6	0	0	0	0	0	112.7	G149	G147-G149 PolarHBondContact O-N 3.24Å; G147-G149 VanDerWaalsContact O-N 3.15Å
148	G	27	Very low	28.8	Very low	94 Å²	94	125.4 Å²	125.4	97%	0.969	79%	0.786	S	S	*	*			trans	-61.3	114.9	167.4	0	0	0	0	0	110.2
149	G	25.9	Very low	28.6	Very low	68 Å²	68	127.3 Å²	127.3	70%	0.701	80%	0.797	S	S	*	*			trans	-104.5	145.8	159.8	0	0	0	0	0	108.7	G147 S151	G147-G149 PolarHBondContact O-N 3.24Å; G147-G149 VanDerWaalsContact O-N 3.15Å; G149-S151 PolarHBondContact O-N 2.89Å
150	D	27	Very low	28.5	Very low	169 Å²	169	135.9 Å²	135.9	90%	0.904	82%	0.815	S	S	*	*			trans	-57.7	130.2	-172.8	-61.4	-61.7	0	0	0	113.1	S152	D150-S152 PolarHBondContact O-N 3.35Å
151	S	26.3	Very low	28.4	Very low	117 Å²	117	133.6 Å²	133.6	82%	0.818	81%	0.813	S	S	*	*			trans	-73	106.8	165.8	52.8	0	0	0	0	109.4	G149	G149-S151 PolarHBondContact O-N 2.89Å
152	S	27.8	Very low	28.3	Very low	111 Å²	111	132.7 Å²	132.7	78%	0.776	82%	0.819	S	S	*	*			trans	-65.3	135.8	173.5	49.8	0	0	0	0	111.5	D150 Q154	D150-S152 PolarHBondContact O-N 3.35Å; S152-Q154 PolarHBondContact O-N 3.23Å
153	N	26.6	Very low	28.3	Very low	164 Å²	164	130 Å²	130	88%	0.877	82%	0.819	S	S	*	*			trans	-54.4	118.2	177.5	-79.1	-33.9	0	0	0	112.6
154	Q	27.7	Very low	28.4	Very low	190 Å²	190	131 Å²	131	89%	0.888	83%	0.827	S	S	*	*			trans	-133.3	121.9	143.7	-73.3	-163.9	-1.6	0	0	109.5	S152	S152-Q154 PolarHBondContact O-N 3.23Å
155	S	26.2	Very low	28.2	Very low	120 Å²	120	137.5 Å²	137.5	84%	0.839	84%	0.838	S	S	*	*			trans	-78.9	135.1	179.5	41.4	0	0	0	0	111.4
156	Q	28.3	Very low	28.7	Very low	188 Å²	188	135.3 Å²	135.3	88%	0.879	83%	0.833	S	S	*	*			trans	-125.5	143.7	160.8	-78.1	-159.6	-10.3	0	0	111.2
157	P	28.7	Very low	29.8	Very low	116 Å²	116	135.6 Å²	135.6	75%	0.753	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-83.5	166.6	-177.1	34.9	-36.1	0	0	0	113.2
158	P	30.8	Very low	29.8	Very low	120 Å²	120	137.9 Å²	137.9	78%	0.779	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-77.4	163.2	-168.3	31.2	-36.8	0	0	0	114.8
159	P	32.2	Very low	29.9	Very low	124 Å²	124	145.3 Å²	145.3	81%	0.805	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-85.7	157.9	-163.1	34.4	-37.2	0	0	0	114.5
160	R	27.2	Very low	30	Very low	248 Å²	248	146.2 Å²	146.2	94%	0.936	85%	0.847	S	S	*	*			trans	-130.6	139.7	159	-80.7	-172	171.6	-179.3	-2.1	111
161	S	29.9	Very low	30	Very low	113 Å²	113	141.5 Å²	141.5	79%	0.79	84%	0.839	S	S	*	*			trans	-78.3	159.2	175.7	52.1	0	0	0	0	112
162	T	27.5	Very low	30.2	Very low	147 Å²	147	140.8 Å²	140.8	90%	0.902	83%	0.834	S	S	*	*			trans	-152.5	143.5	154.9	25.4	0	0	0	0	111.1
163	A	28.1	Very low	30.5	Very low	104 Å²	104	144 Å²	144	86%	0.86	84%	0.836	S	S	*	*			trans	-98.7	170.1	175.2	0	0	0	0	0	111.8
164	A	30.5	Very low	30.6	Very low	100 Å²	100	141.6 Å²	141.6	83%	0.826	83%	0.831	S	S	*	*			trans	-81.7	147.6	-169.7	0	0	0	0	0	115.6
165	R	28.1	Very low	30.6	Very low	242 Å²	242	136.5 Å²	136.5	91%	0.913	83%	0.829	S	S	*	*			trans	-169.4	172.8	142.9	-114.2	-172.7	174.8	-174.6	-1.1	111.8
166	P	36.2	Very low	30.8	Very low	113 Å²	113	134.3 Å²	134.3	73%	0.734	83%	0.825	S	S	*	*				-125.5	-144.9	-116.7	49.3	-31.1	0	0	0	112.6
167	P	56.9	Low	31.2	Very low	125 Å²	125	133 Å²	133	81%	0.812	82%	0.819	S	S	*	*			trans	-108.4	169.5	-138.2	33.3	-13	0	0	0	115.5
168	S	26.8	Very low	31.5	Very low	123 Å²	123	137.9 Å²	137.9	86%	0.86	82%	0.823	S	S	*	*			trans	-140	165.4	167.8	66.6	0	0	0	0	112.7
169	R	29.9	Very low	31.5	Very low	250 Å²	250	136 Å²	136	94%	0.943	83%	0.825	S	S	*	*			trans	-100.6	148.3	-159.3	-66.5	168.2	163.2	171.6	-6.9	114.2
170	G	26.9	Very low	31.5	Very low	86 Å²	86	135.2 Å²	135.2	89%	0.887	82%	0.822	S	S	*	*				97.3	146.3	125.7	0	0	0	0	0	119.4
171	G	27.3	Very low	31.6	Very low	71 Å²	71	129 Å²	129	73%	0.732	82%	0.816	S	S	*	*			trans	130.9	74.8	153	0	0	0	0	0	119.7
172	S	30.8	Very low	31.8	Very low	102 Å²	102	128.6 Å²	128.6	71%	0.713	81%	0.812	S	S	*	*			trans	45.3	127.2	137.4	60.9	0	0	0	0	124.5
173	H	33.2	Very low	32.2	Very low	178 Å²	178	131.4 Å²	131.4	82%	0.824	81%	0.812	S	S	*	*			trans	71.3	150.9	133.3	-67.7	-5.1	0	0	0	119.8
174	C	29.5	Very low	32.4	Very low	114 Å²	114	130.6 Å²	130.6	77%	0.77	81%	0.806	S	S	*	*			cis	-163.1	152.8	-3.5	-120	0	0	0	0	113.6
175	G	28.4	Very low	32.4	Very low	83 Å²	83	130.2 Å²	130.2	86%	0.856	80%	0.803	S	S	*	*			trans	79.9	146.3	154.7	0	0	0	0	0	119.2
176	G	29.2	Very low	32.4	Very low	73 Å²	73	124.4 Å²	124.4	75%	0.753	80%	0.797	S	S	*	*			cis	166.8	141.1	-14.1	0	0	0	0	0	115.3
177	Q	36.6	Very low	32	Very low	162 Å²	162	124.8 Å²	124.8	76%	0.757	80%	0.803	S	S	*	*			trans	58.8	155	153.5	-68.5	-169.6	-3.3	0	0	120.5
178	R	34.8	Very low	30.6	Very low	218 Å²	218	126 Å²	126	82%	0.823	80%	0.802	S	S	*	*			cis	-163.7	142.3	1.8	-117.9	166.2	-174.7	-173.1	4.9	110.7
179	G	31	Very low	31.7	Very low	80 Å²	80	125.6 Å²	125.6	83%	0.825	80%	0.797	S	S	*	*				97.7	170.7	116.7	0	0	0	0	0	117.6
180	S	31.8	Very low	32.5	Very low	108 Å²	108	119.4 Å²	119.4	76%	0.755	79%	0.789	S	S	*	*			cis	-172.4	115.4	-34.1	-169.3	0	0	0	0	115.2
181	C	31.2	Very low	32.4	Very low	118 Å²	118	120.2 Å²	120.2	80%	0.797	79%	0.788	S	S	*	*			trans	62.6	170.7	151.3	-54.4	0	0	0	0	120.5
182	S	34	Very low	32.4	Very low	103 Å²	103	122.1 Å²	122.1	72%	0.72	79%	0.789	S	S	*	*			cis	-163.5	150.9	17.5	-34.9	0	0	0	0	116.4
183	K	35.7	Very low	32.2	Very low	207 Å²	207	122.9 Å²	122.9	90%	0.9	80%	0.795	S	S	*	*			trans	55.4	155.5	132.5	-70.6	-176.3	177.2	-178.3	0	123.5
184	A	31.9	Very low	31.8	Very low	87 Å²	87	118.2 Å²	118.2	72%	0.719	80%	0.795	S	S	*	*			cis	-172.9	157.2	-14.6	0	0	0	0	0	115.4
185	A	31	Very low	31.7	Very low	92 Å²	92	124.7 Å²	124.7	76%	0.76	80%	0.803	S	S	*	*			trans	65.2	156.4	141.3	0	0	0	0	0	123.4
186	C	27.2	Very low	32.2	Very low	119 Å²	119	125.5 Å²	125.5	80%	0.804	79%	0.794	S	S	*	*			cis	-173.9	150.9	-26	-97.5	0	0	0	0	110.4
187	S	27.7	Very low	32.3	Very low	121 Å²	121	128.7 Å²	128.7	85%	0.846	80%	0.798	S	S	*	*			trans	160	139.2	144.8	-89.3	0	0	0	0	113.2
188	D	27.1	Very low	31.9	Very low	151 Å²	151	126.7 Å²	126.7	81%	0.807	80%	0.803	S	S	*	*			trans	-118.6	-156.1	-161.5	-68.7	-61.8	0	0	0	113.9
189	P	49.8	Very low	31.6	Very low	114 Å²	114	123.1 Å²	123.1	74%	0.74	81%	0.805	S	S	*	*				-126	-150.4	-79.6	43.4	-26.6	0	0	0	110.9
190	P	46.4	Very low	31.6	Very low	120 Å²	120	127.5 Å²	127.5	78%	0.779	80%	0.803	S	S	*	*			cis	-135.1	155.5	-10.4	39.3	-21	0	0	0	117.8
191	A	26.1	Very low	31.4	Very low	104 Å²	104	131.4 Å²	131.4	86%	0.86	81%	0.81	S	S	*	*			trans	-157.6	142.1	142.3	0	0	0	0	0	110.2
192	S	26.8	Very low	31.2	Very low	110 Å²	110	131.6 Å²	131.6	77%	0.769	80%	0.802	S	S	*	*			trans	-61.5	126	-160.2	50.2	0	0	0	0	118.5
193	S	27	Very low	30.8	Very low	119 Å²	119	135.2 Å²	135.2	83%	0.832	81%	0.807	S	S	*	*			trans	49.6	105.1	138.4	62.8	0	0	0	0	120.6
194	G	24.8	Very low	30.5	Very low	80 Å²	80	132.1 Å²	132.1	83%	0.825	80%	0.801	S	S	*	*			trans	166.9	83	161.6	0	0	0	0	0	111.9
195	R	26.4	Very low	30.3	Very low	250 Å²	250	133.5 Å²	133.5	94%	0.943	80%	0.8	S	S	*	*			trans	-128.8	156.1	-179.7	-97.4	-146.2	169.6	179.2	-0.4	113.1
196	P	40.8	Very low	30.3	Very low	100 Å²	100	134.5 Å²	134.5	65%	0.649	80%	0.799	S	S	*	*			trans	-134.8	-171.4	-136.7	39.7	-19.9	0	0	0	114.8
197	T	29.7	Very low	30.3	Very low	139 Å²	139	137.2 Å²	137.2	85%	0.853	80%	0.804	S	S	*	*			trans	57.3	91.8	159.3	49.9	0	0	0	0	117.5
198	S	28.3	Very low	30.4	Very low	121 Å²	121	136.8 Å²	136.8	85%	0.846	79%	0.792	S	S	*	*			trans	-113.1	152.2	150.4	58.7	0	0	0	0	110.9
199	V	28.3	Very low	30.4	Very low	143 Å²	143	132.2 Å²	132.2	87%	0.867	77%	0.771	S	S	*	*			trans	-36.9	140.8	178.8	-179.2	0	0	0	0	115.2	Q201	V199-Q201 PolarHBondContact O-N 3.05Å
200	Q	32.1	Very low	29.5	Very low	171 Å²	171	131.7 Å²	131.7	80%	0.799	77%	0.768	S	S	*	*			trans	-64.2	117.9	-178	-66.9	168.2	-44.3	0	0	113.5
201	Q	27	Very low	28.7	Very low	190 Å²	190	134.9 Å²	134.9	89%	0.888	77%	0.77	S	S	*	*			trans	-106.7	123.7	139.7	-85.4	-177.7	-35.9	0	0	107.6	V199 E203	V199-Q201 PolarHBondContact O-N 3.05Å; Q201-E203 PolarHBondContact O-N 2.95Å
202	I	27.2	Very low	29	Very low	123 Å²	123	136.6 Å²	136.6	63%	0.631	76%	0.76	S	S	*	*			trans	-89.9	95.1	-180	-60.7	172.7	0	0	0	107.9	N204	I202-N204 VanDerWaalsContact C-N 3.32Å; I202-N204 PolarHBondContact O-N 2.89Å
203	E	26.3	Very low	29.2	Very low	178 Å²	178	137.5 Å²	137.5	83%	0.832	76%	0.755	S	S	*	*			trans	-72.8	87.1	166.4	-73.5	-167.8	138.4	0	0	110	Q201 T205	Q201-E203 PolarHBondContact O-N 2.95Å; E203-T205 PolarHBondContact O-N 3.25Å
204	N	28.8	Very low	29.3	Very low	143 Å²	143	139.3 Å²	139.3	77%	0.765	75%	0.751	S	S	*	*			trans	-77.8	58.9	169.3	-84.4	-29.5	0	0	0	111.5	I202	I202-N204 VanDerWaalsContact C-N 3.32Å; I202-N204 PolarHBondContact O-N 2.89Å
205	T	28.4	Very low	29.7	Very low	116 Å²	116	141.6 Å²	141.6	71%	0.712	75%	0.751	S	S	*	*			trans	-102.6	105.4	163.6	-54.5	0	0	0	0	107.7	E203 L207	E203-T205 PolarHBondContact O-N 3.25Å; T205-L207 PolarHBondContact O-N 3.29Å
206	P	30.2	Very low	30.1	Very low	113 Å²	113	131.8 Å²	131.8	73%	0.734	72%	0.719	S	S	*	*			trans	-65.5	113.8	176.2	25.7	-31.3	0	0	0	109.1	L208	P206-L208 PolarHBondContact O-N 3.26Å
207	L	27.7	Very low	30.4	Very low	175 Å²	175	129.9 Å²	129.9	92%	0.916	71%	0.708	S	S	*	*			trans	-55.4	107.3	168.2	-83.8	160.6	0	0	0	108.7	T205 C209	T205-L207 PolarHBondContact O-N 3.29Å; L207-C209 PolarHBondContact O-N 3.43Å
208	L	29.5	Very low	31.2	Very low	112 Å²	112	125.7 Å²	125.7	59%	0.586	68%	0.679	S	S	*	*			trans	-60.7	111.9	171.8	-80.8	162.3	0	0	0	108.3	P206	P206-L208 PolarHBondContact O-N 3.26Å
209	C	27.2	Very low	32.3	Very low	55 Å²	55	124.9 Å²	124.9	37%	0.372	67%	0.669	S	S	.	*			trans	-53.8	129.6	175.2	-179.2	0	0	0	0	109.7	L207 F211 H212	L207-C209 PolarHBondContact O-N 3.43Å; C209-F211 PolarHBondContact O-N 3.25Å; C209-H212 PolarHBondContact O-N 3.3Å
210	P	30.1	Very low	33.4	Very low	104 Å²	104	122 Å²	122	68%	0.675	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-55.6	-22.7	-177.1	-28.9	35.8	0	0	0	115	H212 L213	P210-H212 PolarHBondContact O-N 3.04Å; P210-L213 PolarHBondContact O-N 2.87Å
211	F	29.8	Very low	34.4	Very low	186 Å²	186	114.6 Å²	114.6	82%	0.816	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-66.3	-14.5	174.4	-77.9	-86.3	0	0	0	114.7	C209	C209-F211 PolarHBondContact O-N 3.25Å
212	H	33.3	Very low	35.5	Very low	140 Å²	140	108.3 Å²	108.3	65%	0.648	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-92.3	2	178.1	-63	129.9	0	0	0	114.5	C209 P210	C209-H212 PolarHBondContact O-N 3.3Å; P210-H212 PolarHBondContact O-N 3.04Å
213	L	30.7	Very low	37.1	Very low	129 Å²	129	107 Å²	107	68%	0.675	59%	0.586	S	S	*	*	S	Bend	trans	-116.9	8.5	-174.6	-70.9	173	0	0	0	114.5	P210	P210-L213 PolarHBondContact O-N 2.87Å
214	Q	27.7	Very low	38.6	Very low	157 Å²	157	101.9 Å²	101.9	73%	0.734	56%	0.561	S	S	*	*	S	Bend	trans	-87.7	133.3	172.8	-65.3	-149.2	-15	0	0	111.6	V216	Q214-V216 PolarHBondContact O-N 2.94Å; Q214-V216 VanDerWaalsContact O-N 3.08Å
215	P	34.9	Very low	39.8	Very low	128 Å²	128	95.8 Å²	95.8	83%	0.831	53%	0.529	S	S	*	.			trans	-67.6	108.4	176	27.1	-32.9	0	0	0	110.2
216	V	35	Very low	41.3	Very low	44 Å²	44	92.1 Å²	92.1	27%	0.267	50%	0.503	S	S	.	.			trans	-71.5	139.2	177.6	-175.8	0	0	0	0	109.8	Q214 E220 T221 K224	Q214-V216 PolarHBondContact O-N 2.94Å; Q214-V216 VanDerWaalsContact O-N 3.08Å; V216-E220 HydrophobicContact CG1-CB 3.68Å; V216-E220 HydrophobicContact CG1-CG 3.69Å; V216-T221 WeakPolarHBondContact CG1-OG1 3.21Å; V216-K224 HydrophobicContact CG1-CD 4.34Å
217	S	45.7	Very low	43	Very low	60 Å²	60	92.1 Å²	92.1	42%	0.42	49%	0.494	S	S	.	.			trans	-64.5	159.6	176.9	72.7	0	0	0	0	111.7	V219 E220 T221	S217-V219 PolarHBondContact O-N 3.32Å; S217-E220 PolarHBondContact O-N 3.1Å; S217-E220 WeakPolarHBondContact OG-CB 3.42Å; S217-E220 PolarHBondContact OG-N 3.17Å; S217-T221 WeakPolarHBondContact O-CB 3.48Å; S217-T221 PolarHBondContact O-N 3.35Å; S217-T221 PolarHBondContact O-OG1 3.01Å
218	E	47.2	Very low	44.7	Very low	51 Å²	51	85.6 Å²	85.6	24%	0.238	46%	0.459	C	S	.	.	H	α-helix	trans	-63.8	-42	-178.4	-111.8	157.2	-118	0	0	112.8	K137 T221 A222 Y584	K137-E218 IonicContact NZ-OE1 2.7Å; K137-E218 PolarHBondContact NZ-OE1 3.07Å; E218-T221 PolarHBondContact O-N 2.89Å; E218-A222 WeakPolarHBondContact O-CB 3.34Å; E218-A222 PolarHBondContact O-N 3.26Å; E218-Y584 HydrophobicContact CG-CE2 4.47Å; E218-Y584 WeakPolarHBondContact OE2-CE2 3.02Å
219	V	50.9	Low	46.3	Very low	105 Å²	105	80.7 Å²	80.7	64%	0.636	43%	0.433	S	S	*	.	H	α-helix	trans	-60.6	-47.1	175.6	179.5	0	0	0	0	110.3	S217 T221 A222 L223	S217-V219 PolarHBondContact O-N 3.32Å; V219-T221 VanDerWaalsContact C-N 3.35Å; V219-T221 PolarHBondContact O-N 2.83Å; V219-A222 PolarHBondContact O-N 3.01Å; V219-L223 HydrophobicContact CG1-CD1 3.91Å; V219-L223 WeakPolarHBondContact O-CB 3.25Å; V219-L223 VanDerWaalsContact O-CG 3.22Å; V219-L223 WeakPolarHBondContact O-CG 3.21Å; V219-L223 PolarHBondContact O-N 3.1Å
220	E	52.1	Low	48.2	Very low	83 Å²	83	79 Å²	79	39%	0.388	42%	0.42	S	S	.	.	H	α-helix	trans	-70.4	-30	-179.8	-168.6	-167.9	157.1	0	0	112.7	V216 S217 K224	V216-E220 HydrophobicContact CG1-CB 3.68Å; V216-E220 HydrophobicContact CG1-CG 3.69Å; S217-E220 PolarHBondContact O-N 3.1Å; S217-E220 WeakPolarHBondContact OG-CB 3.42Å; S217-E220 PolarHBondContact OG-N 3.17Å; E220-K224 HydrophobicContact CG-CD 4.29Å; E220-K224 VanDerWaalsContact O-CB 3.3Å; E220-K224 WeakPolarHBondContact O-CB 3.29Å; E220-K224 VanDerWaalsContact O-CG 3.26Å; E220-K224 WeakPolarHBondContact O-CG 3.39Å; E220-K224 PolarHBondContact O-N 2.86Å; E220-K224 WeakPolarHBondContact OE1-CE 3.43Å; E220-K224 IonicContact OE1-NZ 2.76Å; E220-K224 PolarHBondContact OE1-NZ 3.15Å
221	T	52.1	Low	50.3	Low	14 Å²	14	79.4 Å²	79.4	9%	0.086	41%	0.413	C	S	.	.	H	α-helix	trans	-69.7	-44.2	173.5	-57	0	0	0	0	111.2	Y135 V216 S217 E218 V219 K224 N225	Y135-T221 WeakPolarHBondContact O-CG2 3.5Å; V216-T221 WeakPolarHBondContact CG1-OG1 3.21Å; S217-T221 WeakPolarHBondContact O-CB 3.48Å; S217-T221 PolarHBondContact O-N 3.35Å; S217-T221 PolarHBondContact O-OG1 3.01Å; E218-T221 PolarHBondContact O-N 2.89Å; V219-T221 VanDerWaalsContact C-N 3.35Å; V219-T221 PolarHBondContact O-N 2.83Å; T221-K224 PolarHBondContact O-N 2.8Å; T221-N225 PolarHBondContact O-N 2.95Å; T221-N225 PolarHBondContact O-ND2 2.91Å
222	A	50.6	Low	52.2	Low	58 Å²	58	72.9 Å²	72.9	48%	0.479	38%	0.383	S	S	.	.	H	α-helix	trans	-61.9	-47.1	174.7	0	0	0	0	0	111	E218 V219 K224 N225 Q226	E218-A222 WeakPolarHBondContact O-CB 3.34Å; E218-A222 PolarHBondContact O-N 3.26Å; V219-A222 PolarHBondContact O-N 3.01Å; A222-K224 PolarHBondContact O-N 2.67Å; A222-N225 PolarHBondContact O-N 3.28Å; A222-Q226 WeakPolarHBondContact O-CB 3.46Å; A222-Q226 PolarHBondContact O-N 3.07Å
223	L	60.2	Low	54.2	Low	96 Å²	96	66.3 Å²	66.3	50%	0.503	35%	0.353	S	S	.	.	H	α-helix	trans	-60.6	-39.9	175.7	-71.5	169.4	0	0	0	112.5	V219 Q226 E227	V219-L223 HydrophobicContact CG1-CD1 3.91Å; V219-L223 WeakPolarHBondContact O-CB 3.25Å; V219-L223 VanDerWaalsContact O-CG 3.22Å; V219-L223 WeakPolarHBondContact O-CG 3.21Å; V219-L223 PolarHBondContact O-N 3.1Å; L223-Q226 PolarHBondContact O-N 2.9Å; L223-E227 WeakPolarHBondContact O-CB 3.2Å; L223-E227 PolarHBondContact O-N 2.61Å
224	K	59.2	Low	56.8	Low	71 Å²	71	65.6 Å²	65.6	31%	0.309	34%	0.344	S	S	.	.	H	α-helix	trans	-69.1	-37.1	176.3	-80.2	169	171	166.6	0	113.2	Y135 V216 E220 T221 A222 M228	Y135-K224 HydrophobicContact CD2-CB 3.73Å; Y135-K224 HydrophobicContact CE2-CB 3.88Å; Y135-K224 HydrophobicContact CG-CB 4.47Å; V216-K224 HydrophobicContact CG1-CD 4.34Å; E220-K224 HydrophobicContact CG-CD 4.29Å; E220-K224 VanDerWaalsContact O-CB 3.3Å; E220-K224 WeakPolarHBondContact O-CB 3.29Å; E220-K224 VanDerWaalsContact O-CG 3.26Å; E220-K224 WeakPolarHBondContact O-CG 3.39Å; E220-K224 PolarHBondContact O-N 2.86Å; E220-K224 WeakPolarHBondContact OE1-CE 3.43Å; E220-K224 IonicContact OE1-NZ 2.76Å; E220-K224 PolarHBondContact OE1-NZ 3.15Å; T221-K224 PolarHBondContact O-N 2.8Å; A222-K224 PolarHBondContact O-N 2.67Å; K224-M228 WeakPolarHBondContact O-CB 3.28Å; K224-M228 WeakPolarHBondContact O-CG 3.35Å; K224-M228 PolarHBondContact O-N 3.37Å
225	N	53	Low	59.7	Low	15 Å²	15	61.7 Å²	61.7	8%	0.08	33%	0.326	C	S	.	.	H	α-helix	trans	-64.7	-45.9	171.6	-77.6	-33.7	0	0	0	110.9	D134 Y135 T221 A222 M228 E229	D134-N225 PolarHBondContact N-OD1 2.97Å; Y135-N225 WeakPolarHBondContact CD2-OD1 3.47Å; Y135-N225 PolarHBondContact N-OD1 3.26Å; Y135-N225 PolarHBondContact O-ND2 3.04Å; T221-N225 PolarHBondContact O-N 2.95Å; T221-N225 PolarHBondContact O-ND2 2.91Å; A222-N225 PolarHBondContact O-N 3.28Å; N225-M228 PolarHBondContact O-N 2.8Å; N225-E229 WeakPolarHBondContact O-CB 3.13Å; N225-E229 PolarHBondContact O-N 3.02Å
226	Q	59.9	Low	62.2	Low	38 Å²	38	55.8 Å²	55.8	18%	0.178	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-44.7	176	-171.3	177.7	42.1	0	0	111.2	A222 L223 M228 E229 L230 D256	A222-Q226 WeakPolarHBondContact O-CB 3.46Å; A222-Q226 PolarHBondContact O-N 3.07Å; L223-Q226 PolarHBondContact O-N 2.9Å; Q226-M228 PolarHBondContact O-N 2.73Å; Q226-E229 WeakPolarHBondContact O-CB 3.16Å; Q226-E229 PolarHBondContact O-N 2.97Å; Q226-L230 HydrophobicContact CG-CD1 4.1Å; Q226-L230 HydrophobicContact CG-CG 4.41Å; Q226-L230 WeakPolarHBondContact O-CB 3.45Å; Q226-L230 WeakPolarHBondContact O-CG 3.45Å; Q226-L230 PolarHBondContact O-N 3.07Å; Q226-D256 VanDerWaalsContact NE2-CB 3.31Å; Q226-D256 PolarHBondContact NE2-OD2 3.45Å
227	E	66.4	Low	64.6	Low	113 Å²	113	53.8 Å²	53.8	53%	0.528	28%	0.275	S	S	.	.	H	α-helix	trans	-61.7	-45.6	176.5	-173	178.4	-172.6	0	0	111.9	L223 E229 L230 Q231	L223-E227 WeakPolarHBondContact O-CB 3.2Å; L223-E227 PolarHBondContact O-N 2.61Å; E227-E229 PolarHBondContact O-N 2.77Å; E227-L230 PolarHBondContact O-N 2.93Å; E227-Q231 WeakPolarHBondContact O-CB 3.32Å; E227-Q231 VanDerWaalsContact O-CG 3.27Å; E227-Q231 WeakPolarHBondContact O-CG 3.37Å; E227-Q231 PolarHBondContact O-N 3.06Å; E227-Q231 PolarHBondContact OE1-NE2 2.93Å
228	M	63.3	Low	66.7	Low	39 Å²	39	53.7 Å²	53.7	19%	0.192	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-38.6	175.2	-74.3	-57.6	-50.3	0	0	112.8	D134 Y135 K224 N225 Q226 Q231 R232	D134-M228 WeakPolarHBondContact OD2-CB 3.39Å; Y135-M228 HydrophobicContact CE2-CG 3.63Å; K224-M228 WeakPolarHBondContact O-CB 3.28Å; K224-M228 WeakPolarHBondContact O-CG 3.35Å; K224-M228 PolarHBondContact O-N 3.37Å; N225-M228 PolarHBondContact O-N 2.8Å; Q226-M228 PolarHBondContact O-N 2.73Å; M228-Q231 PolarHBondContact O-N 3.38Å; M228-R232 WeakPolarHBondContact O-CB 3.41Å; M228-R232 VanDerWaalsContact O-CG 3.29Å; M228-R232 WeakPolarHBondContact O-CG 3.46Å; M228-R232 PolarHBondContact O-N 3.39Å
229	E	62.7	Low	68.9	Low	9 Å²	9	51.2 Å²	51.2	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-62	-50.6	174.3	-179.7	-173.2	179.6	0	0	111	S130 L131 N225 Q226 E227 Q231 R232 N233	S130-E229 WeakPolarHBondContact CB-OE1 3.42Å; L131-E229 VanDerWaalsContact CA-CD 3.43Å; L131-E229 WeakPolarHBondContact CB-OE2 3.45Å; L131-E229 WeakPolarHBondContact CD1-OE2 3.34Å; L131-E229 WeakPolarHBondContact CG-OE2 3.43Å; L131-E229 PolarHBondContact N-OE1 3.28Å; L131-E229 VanDerWaalsContact N-OE1 3.17Å; N225-E229 WeakPolarHBondContact O-CB 3.13Å; N225-E229 PolarHBondContact O-N 3.02Å; Q226-E229 WeakPolarHBondContact O-CB 3.16Å; Q226-E229 PolarHBondContact O-N 2.97Å; E227-E229 PolarHBondContact O-N 2.77Å; E229-Q231 VanDerWaalsContact C-N 3.28Å; E229-Q231 PolarHBondContact O-N 2.92Å; E229-R232 PolarHBondContact O-N 2.93Å; E229-N233 WeakPolarHBondContact CG-ND2 3.23Å; E229-N233 VanDerWaalsContact O-CB 3.31Å; E229-N233 WeakPolarHBondContact O-CB 3.4Å; E229-N233 PolarHBondContact O-N 3.32Å; E229-N233 PolarHBondContact O-ND2 2.78Å; E229-N233 VanDerWaalsContact O-ND2 3.1Å
230	L	67.8	Low	70.8	Confident	19 Å²	19	46.3 Å²	46.3	10%	0.099	23%	0.226	C	C	.	.	H	α-helix	trans	-61.6	-37.4	179.3	-68.1	175.4	0	0	0	111.2	Q226 E227 K234 L237 F705	Q226-L230 HydrophobicContact CG-CD1 4.1Å; Q226-L230 HydrophobicContact CG-CG 4.41Å; Q226-L230 WeakPolarHBondContact O-CB 3.45Å; Q226-L230 WeakPolarHBondContact O-CG 3.45Å; Q226-L230 PolarHBondContact O-N 3.07Å; E227-L230 PolarHBondContact O-N 2.93Å; L230-K234 WeakPolarHBondContact O-CA 3.31Å; L230-K234 WeakPolarHBondContact O-CB 3.48Å; L230-K234 PolarHBondContact O-N 3.03Å; L230-L237 HydrophobicContact CD2-CD1 3.56Å; L230-F705 HydrophobicContact CB-CE1 4.26Å; L230-F705 HydrophobicContact CB-CE2 4.16Å; L230-F705 HydrophobicContact CB-CZ 4.01Å; L230-F705 HydrophobicContact CD1-CB 4.01Å; L230-F705 HydrophobicContact CD1-CD1 4.07Å; L230-F705 HydrophobicContact CD1-CD2 3.85Å; L230-F705 HydrophobicContact CD1-CE2 4.3Å; L230-F705 HydrophobicContact CD1-CG 3.71Å; L230-F705 HydrophobicContact CD2-CD1 3.56Å; L230-F705 HydrophobicContact CD2-CE1 3.68Å; L230-F705 HydrophobicContact CD2-CG 4.1Å; L230-F705 HydrophobicContact CD2-CZ 4.3Å; L230-F705 HydrophobicContact CG-CD1 4.27Å; L230-F705 HydrophobicContact CG-CE1 4.35Å; L230-F705 HydrophobicContact CG-CG 4.39Å
231	Q	73.3	Confident	72.6	Confident	113 Å²	113	43.7 Å²	43.7	53%	0.528	21%	0.213	S	C	.	.	H	α-helix	trans	-66.2	-48.5	172.3	-72.4	178.4	17.9	0	0	112.1	E227 M228 E229 N233	E227-Q231 WeakPolarHBondContact O-CB 3.32Å; E227-Q231 VanDerWaalsContact O-CG 3.27Å; E227-Q231 WeakPolarHBondContact O-CG 3.37Å; E227-Q231 PolarHBondContact O-N 3.06Å; E227-Q231 PolarHBondContact OE1-NE2 2.93Å; M228-Q231 PolarHBondContact O-N 3.38Å; E229-Q231 VanDerWaalsContact C-N 3.28Å; E229-Q231 PolarHBondContact O-N 2.92Å; Q231-N233 PolarHBondContact O-N 3.43Å
232	R	71.5	Confident	74.6	Confident	48 Å²	48	43 Å²	43	18%	0.181	21%	0.21	C	C	.	.	H	α-helix	trans	-65.4	-37.6	-179	-77.3	179.5	-175	169.7	18.8	113.3	D134 M228 E229 Y725	D134-R232 VanDerWaalsContact CG-CZ 3.48Å; D134-R232 VanDerWaalsContact CG-NH1 3.3Å; D134-R232 IonicContact OD1-CZ 2.71Å; D134-R232 IonicContact OD1-NH1 3.92Å; D134-R232 PolarHBondContact OD1-NH1 2.89Å; D134-R232 IonicContact OD1-NH2 2.58Å; D134-R232 PolarHBondContact OD1-NH2 3.34Å; D134-R232 IonicContact OD2-CZ 2.79Å; D134-R232 IonicContact OD2-NE 2.65Å; D134-R232 IonicContact OD2-NH1 3.72Å; D134-R232 PolarHBondContact OD2-NH1 3.36Å; D134-R232 IonicContact OD2-NH2 2.68Å; D134-R232 PolarHBondContact OD2-NH2 3.47Å; M228-R232 WeakPolarHBondContact O-CB 3.41Å; M228-R232 VanDerWaalsContact O-CG 3.29Å; M228-R232 WeakPolarHBondContact O-CG 3.46Å; M228-R232 PolarHBondContact O-N 3.39Å; E229-R232 PolarHBondContact O-N 2.93Å; R232-Y725 WeakPolarHBondContact O-CE2 3.34Å; R232-Y725 PolarHBondContact O-OH 2.76Å; R232-Y725 VanDerWaalsContact O-OH 3.1Å
233	N	75	Confident	76.6	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.011	19%	0.187	C	C	.	.	H	α-helix	trans	-101.4	6	-173.9	-62.8	-59.2	0	0	0	113.1	S130 E229 Q231 E235 R236 L237	S130-N233 PolarHBondContact O-ND2 3.05Å; E229-N233 WeakPolarHBondContact CG-ND2 3.23Å; E229-N233 VanDerWaalsContact O-CB 3.31Å; E229-N233 WeakPolarHBondContact O-CB 3.4Å; E229-N233 PolarHBondContact O-N 3.32Å; E229-N233 PolarHBondContact O-ND2 2.78Å; E229-N233 VanDerWaalsContact O-ND2 3.1Å; Q231-N233 PolarHBondContact O-N 3.43Å; N233-E235 VanDerWaalsContact C-N 3.34Å; N233-E235 PolarHBondContact O-N 3.1Å; N233-R236 WeakPolarHBondContact O-CA 3.42Å; N233-R236 WeakPolarHBondContact O-CB 3.15Å; N233-R236 PolarHBondContact O-N 3.24Å; N233-R236 PolarHBondContact OD1-NH1 2.79Å; N233-L237 HydrophobicContact CB-CD1 4.38Å; N233-L237 HydrophobicContact CB-CG 4.34Å; N233-L237 WeakPolarHBondContact O-CG 3.33Å; N233-L237 PolarHBondContact O-N 3.01Å
234	K	84.4	Confident	78	Confident	115 Å²	115	37.6 Å²	37.6	50%	0.5	18%	0.176	S	C	.	.	H	α-helix	trans	-46	-52	-176.5	-175.1	172.4	178.6	-178.4	0	113.3	L230 R236 L237 H238	L230-K234 WeakPolarHBondContact O-CA 3.31Å; L230-K234 WeakPolarHBondContact O-CB 3.48Å; L230-K234 PolarHBondContact O-N 3.03Å; K234-R236 VanDerWaalsContact C-N 3.33Å; K234-R236 PolarHBondContact O-N 3.04Å; K234-L237 PolarHBondContact O-N 2.89Å; K234-H238 VanDerWaalsContact CE-NE2 3.35Å; K234-H238 WeakPolarHBondContact CE-NE2 3.47Å; K234-H238 PolarHBondContact O-CD2 3.33Å; K234-H238 VanDerWaalsContact O-CD2 3.31Å; K234-H238 PolarHBondContact O-N 2.85Å
235	E	88.2	Confident	79.5	Confident	74 Å²	74	39.2 Å²	39.2	35%	0.346	18%	0.183	S	C	.	.	H	α-helix	trans	-60.8	-39.6	179.4	-70.3	177.6	-137.7	0	0	112.6	N233 F239 S723 Y725	N233-E235 VanDerWaalsContact C-N 3.34Å; N233-E235 PolarHBondContact O-N 3.1Å; E235-F239 WeakPolarHBondContact O-CB 3.26Å; E235-F239 PolarHBondContact O-N 3.3Å; E235-S723 WeakPolarHBondContact OE2-CB 3.3Å; E235-S723 PolarHBondContact OE2-OG 3.41Å; E235-Y725 HydrophobicContact CB-CD2 4.16Å; E235-Y725 HydrophobicContact CB-CG 4.45Å; E235-Y725 HydrophobicContact CG-CD2 4.4Å
236	R	87.9	Confident	81.4	Confident	4 Å²	4	39.2 Å²	39.2	2%	0.015	19%	0.185	C	C	.	.	H	α-helix	trans	-68.3	-39.9	178	-62.9	173.1	62.5	-133.4	-9.5	111.5	D90 I94 S130 N233 K234 F239 F240 Y725	D90-R236 PolarHBondContact O-NH2 3.13Å; D90-R236 VanDerWaalsContact O-NH2 3.11Å; D90-R236 IonicContact OD2-CZ 2.69Å; D90-R236 IonicContact OD2-NH1 2.81Å; D90-R236 IonicContact OD2-NH2 3.6Å; D90-R236 PolarHBondContact OD2-NH2 3.18Å; I94-R236 HydrophobicContact CD1-CB 3.87Å; I94-R236 HydrophobicContact CD1-CG 4.17Å; I94-R236 HydrophobicContact CG1-CG 4.49Å; S130-R236 PolarHBondContact OG-NH1 2.92Å; N233-R236 WeakPolarHBondContact O-CA 3.42Å; N233-R236 WeakPolarHBondContact O-CB 3.15Å; N233-R236 PolarHBondContact O-N 3.24Å; N233-R236 PolarHBondContact OD1-NH1 2.79Å; K234-R236 VanDerWaalsContact C-N 3.33Å; K234-R236 PolarHBondContact O-N 3.04Å; R236-F239 PolarHBondContact O-N 2.91Å; R236-F240 PolarHBondContact O-N 3.21Å; R236-Y725 HydrophobicContact CG-CD1 4.13Å; R236-Y725 HydrophobicContact CG-CG 4.36Å
237	L	86.3	Confident	83	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-70	-40.9	176.9	-65	174	0	0	0	112.3	V127 L230 N233 K234 F239 F240 K241 P255 F705 W706 I709	V127-L237 HydrophobicContact CG1-CD2 3.92Å; L230-L237 HydrophobicContact CD2-CD1 3.56Å; N233-L237 HydrophobicContact CB-CD1 4.38Å; N233-L237 HydrophobicContact CB-CG 4.34Å; N233-L237 WeakPolarHBondContact O-CG 3.33Å; N233-L237 PolarHBondContact O-N 3.01Å; K234-L237 PolarHBondContact O-N 2.89Å; L237-F239 VanDerWaalsContact C-N 3.31Å; L237-F239 PolarHBondContact O-N 2.89Å; L237-F240 PolarHBondContact O-N 3.27Å; L237-K241 WeakPolarHBondContact O-CB 3.44Å; L237-K241 PolarHBondContact O-N 2.75Å; L237-P255 HydrophobicContact CD1-CG 4.34Å; L237-P255 HydrophobicContact CD2-CG 3.61Å; L237-F705 HydrophobicContact CD1-CE1 4.01Å; L237-W706 HydrophobicContact CB-CZ3 4.45Å; L237-W706 HydrophobicContact CD2-CZ3 4.4Å; L237-W706 WeakPolarHBondContact O-CZ3 3.36Å; L237-I709 HydrophobicContact CB-CD1 3.91Å
238	H	89.6	Confident	84.2	Confident	58 Å²	58	39.1 Å²	39.1	27%	0.269	18%	0.182	S	C	.	.	H	α-helix	trans	-58.9	-43.5	170.5	-89.5	-91.4	0	0	0	111.3	K234 K241 W242 I709 E710	K234-H238 VanDerWaalsContact CE-NE2 3.35Å; K234-H238 WeakPolarHBondContact CE-NE2 3.47Å; K234-H238 PolarHBondContact O-CD2 3.33Å; K234-H238 VanDerWaalsContact O-CD2 3.31Å; K234-H238 PolarHBondContact O-N 2.85Å; H238-K241 PolarHBondContact O-N 3.2Å; H238-W242 PolarHBondContact O-N 3.48Å; H238-I709 HydrophobicContact CB-CG2 4.3Å; H238-I709 WeakPolarHBondContact ND1-CG2 3.49Å; H238-E710 PolarHBondContact CE1-O 2.86Å; H238-E710 PolarHBondContact ND1-O 2.78Å
239	F	92.6	Very high	85.5	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-61.9	-47.3	177.1	179.2	-107.5	0	0	0	112.1	I94 M97 V98 A101 E235 R236 L237 K241 W242 C243 F717 I726	I94-F239 HydrophobicContact CD1-CD1 3.8Å; I94-F239 HydrophobicContact CD1-CE1 4.48Å; M97-F239 HydrophobicContact CB-CE1 3.74Å; M97-F239 HydrophobicContact CB-CZ 4.06Å; V98-F239 HydrophobicContact CB-CZ 4.26Å; V98-F239 HydrophobicContact CG2-CD1 4.41Å; V98-F239 HydrophobicContact CG2-CE1 3.63Å; V98-F239 HydrophobicContact CG2-CE2 4.24Å; V98-F239 HydrophobicContact CG2-CZ 3.55Å; A101-F239 HydrophobicContact CB-CE2 4.29Å; A101-F239 HydrophobicContact CB-CZ 4.39Å; E235-F239 WeakPolarHBondContact O-CB 3.26Å; E235-F239 PolarHBondContact O-N 3.3Å; R236-F239 PolarHBondContact O-N 2.91Å; L237-F239 VanDerWaalsContact C-N 3.31Å; L237-F239 PolarHBondContact O-N 2.89Å; F239-K241 VanDerWaalsContact C-N 3.34Å; F239-K241 PolarHBondContact O-N 3.47Å; F239-W242 HydrophobicContact CD2-CE3 4.04Å; F239-W242 HydrophobicContact CD2-CZ3 4.45Å; F239-W242 AromaticContact CE2-CE3 3.76Å; F239-W242 HydrophobicContact CE2-CE3 3.76Å; F239-W242 AromaticContact CE2-CZ3 3.71Å; F239-W242 HydrophobicContact CE2-CZ3 3.71Å; F239-W242 HydrophobicContact CZ-CE3 4.46Å; F239-W242 HydrophobicContact CZ-CZ3 4.19Å; F239-W242 WeakPolarHBondContact O-CB 3.3Å; F239-W242 PolarHBondContact O-N 3.37Å; F239-C243 PolarHBondContact O-N 3.17Å; F239-C243 PolarHBondContact O-SG 2.93Å; F239-F717 HydrophobicContact CB-CZ 4.5Å; F239-F717 HydrophobicContact CD2-CD1 4.16Å; F239-F717 AromaticContact CD2-CD2 3.89Å; F239-F717 HydrophobicContact CD2-CD2 3.89Å; F239-F717 AromaticContact CD2-CE1 3.93Å; F239-F717 HydrophobicContact CD2-CE1 3.93Å; F239-F717 AromaticContact CD2-CE2 3.66Å; F239-F717 HydrophobicContact CD2-CE2 3.66Å; F239-F717 HydrophobicContact CD2-CG 4.15Å; F239-F717 AromaticContact CD2-CZ 3.68Å; F239-F717 HydrophobicContact CD2-CZ 3.68Å; F239-F717 HydrophobicContact CE2-CD1 4.19Å; F239-F717 HydrophobicContact CE2-CD2 4.19Å; F239-F717 HydrophobicContact CE2-CE1 4.39Å; F239-F717 HydrophobicContact CE2-CE2 4.39Å; F239-F717 HydrophobicContact CE2-CG 4.1Å; F239-F717 HydrophobicContact CE2-CZ 4.49Å; F239-I726 HydrophobicContact CB-CD1 4.07Å; F239-I726 HydrophobicContact CB-CG1 4.04Å; F239-I726 HydrophobicContact CD1-CD1 4.04Å; F239-I726 HydrophobicContact CD2-CG2 3.85Å; F239-I726 HydrophobicContact CE2-CG2 4.23Å; F239-I726 HydrophobicContact CG-CD1 4.02Å; F239-I726 HydrophobicContact CG-CG1 4.28Å; F239-I726 HydrophobicContact CG-CG2 4.18Å
240	F	90.7	Very high	87	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-65.7	-33.9	175.3	-70.8	-37.1	0	0	0	114	D90 I94 L125 V127 R236 L237 W242 C243 S244 V252 W706	D90-F240 HydrophobicContact CB-CE2 3.65Å; D90-F240 HydrophobicContact CB-CZ 4.05Å; I94-F240 HydrophobicContact CB-CE1 4.47Å; I94-F240 HydrophobicContact CB-CZ 4.23Å; I94-F240 HydrophobicContact CD1-CD1 4Å; I94-F240 HydrophobicContact CD1-CD2 4.16Å; I94-F240 HydrophobicContact CD1-CE1 3.46Å; I94-F240 VanDerWaalsContact CD1-CE1 3.46Å; I94-F240 HydrophobicContact CD1-CE2 3.66Å; I94-F240 HydrophobicContact CD1-CG 4.33Å; I94-F240 HydrophobicContact CD1-CZ 3.31Å; I94-F240 HydrophobicContact CG1-CE1 3.9Å; I94-F240 HydrophobicContact CG1-CE2 3.93Å; I94-F240 HydrophobicContact CG1-CZ 3.38Å; L125-F240 HydrophobicContact CD1-CD1 3.84Å; L125-F240 HydrophobicContact CD1-CE1 3.29Å; L125-F240 HydrophobicContact CD1-CZ 3.71Å; L125-F240 HydrophobicContact CD2-CD1 4.06Å; L125-F240 HydrophobicContact CD2-CD2 3.96Å; L125-F240 HydrophobicContact CD2-CE1 3.84Å; L125-F240 HydrophobicContact CD2-CE2 3.72Å; L125-F240 HydrophobicContact CD2-CG 4.11Å; L125-F240 HydrophobicContact CD2-CZ 3.62Å; L125-F240 HydrophobicContact CG-CE1 4.23Å; L125-F240 HydrophobicContact CG-CZ 4.27Å; V127-F240 HydrophobicContact CG2-CD2 3.79Å; V127-F240 HydrophobicContact CG2-CE2 3.97Å; R236-F240 PolarHBondContact O-N 3.21Å; L237-F240 PolarHBondContact O-N 3.27Å; F240-W242 VanDerWaalsContact C-N 3.26Å; F240-W242 PolarHBondContact O-N 3.34Å; F240-C243 WeakPolarHBondContact O-CB 3.45Å; F240-C243 PolarHBondContact O-N 2.79Å; F240-C243 VanDerWaalsContact O-N 3.17Å; F240-S244 PolarHBondContact O-N 3.41Å; F240-V252 HydrophobicContact CB-CG1 4.18Å; F240-W706 HydrophobicContact CB-CH2 3.98Å; F240-W706 HydrophobicContact CB-CZ3 4.48Å
241	K	89.9	Confident	88.1	Confident	28 Å²	28	43.8 Å²	43.8	12%	0.122	21%	0.209	C	C	.	.	H	α-helix	trans	-60.1	-42.4	173.5	-172.1	71.8	179	-165.8	0	110.2	L237 H238 F239 S244 W706 I709 C711	L237-K241 WeakPolarHBondContact O-CB 3.44Å; L237-K241 PolarHBondContact O-N 2.75Å; H238-K241 PolarHBondContact O-N 3.2Å; F239-K241 VanDerWaalsContact C-N 3.34Å; F239-K241 PolarHBondContact O-N 3.47Å; K241-S244 PolarHBondContact O-N 2.98Å; K241-S244 PolarHBondContact O-OG 2.97Å; K241-W706 HydrophobicContact CB-CH2 3.87Å; K241-W706 HydrophobicContact CB-CZ2 4.23Å; K241-W706 HydrophobicContact CB-CZ3 4.1Å; K241-W706 HydrophobicContact CD-CD2 3.83Å; K241-W706 VanDerWaalsContact CD-CE2 3.45Å; K241-W706 HydrophobicContact CD-CE3 4.28Å; K241-W706 HydrophobicContact CD-CG 4.4Å; K241-W706 HydrophobicContact CD-CH2 4.05Å; K241-W706 HydrophobicContact CD-CZ2 3.58Å; K241-W706 HydrophobicContact CD-CZ3 4.38Å; K241-W706 WeakPolarHBondContact CE-O 3.5Å; K241-W706 VanDerWaalsContact NZ-CD1 3.27Å; K241-W706 PolarHBondContact NZ-O 2.86Å; K241-I709 HydrophobicContact CB-CG2 3.88Å; K241-I709 HydrophobicContact CG-CB 4.24Å; K241-I709 HydrophobicContact CG-CG2 3.92Å; K241-C711 HydrophobicContact CB-CB 4.43Å; K241-C711 HydrophobicContact CG-CB 3.77Å
242	W	94.1	Very high	88.8	Confident	1 Å²	1	38.9 Å²	38.9	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-62.6	-47.3	171.4	172.4	81.6	0	0	0	111.9	A101 H238 F239 F240 S244 K245 A246 F247 C711 S714 F717	A101-W242 HydrophobicContact CB-CH2 3.66Å; A101-W242 HydrophobicContact CB-CZ3 3.75Å; H238-W242 PolarHBondContact O-N 3.48Å; F239-W242 HydrophobicContact CD2-CE3 4.04Å; F239-W242 HydrophobicContact CD2-CZ3 4.45Å; F239-W242 AromaticContact CE2-CE3 3.76Å; F239-W242 HydrophobicContact CE2-CE3 3.76Å; F239-W242 AromaticContact CE2-CZ3 3.71Å; F239-W242 HydrophobicContact CE2-CZ3 3.71Å; F239-W242 HydrophobicContact CZ-CE3 4.46Å; F239-W242 HydrophobicContact CZ-CZ3 4.19Å; F239-W242 WeakPolarHBondContact O-CB 3.3Å; F239-W242 PolarHBondContact O-N 3.37Å; F240-W242 VanDerWaalsContact C-N 3.26Å; F240-W242 PolarHBondContact O-N 3.34Å; W242-S244 VanDerWaalsContact C-N 3.29Å; W242-S244 PolarHBondContact O-N 3.38Å; W242-K245 PolarHBondContact O-N 3.46Å; W242-A246 HydrophobicContact CD2-CB 4.01Å; W242-A246 VanDerWaalsContact CE2-CB 3.47Å; W242-A246 HydrophobicContact CG-CB 4.45Å; W242-A246 HydrophobicContact CH2-CB 4.2Å; W242-A246 HydrophobicContact CZ2-CB 3.58Å; W242-A246 VanDerWaalsContact O-CB 3.3Å; W242-A246 WeakPolarHBondContact O-CB 3.45Å; W242-A246 PolarHBondContact O-N 2.97Å; W242-F247 AromaticContact CH2-CE2 3.57Å; W242-F247 HydrophobicContact CH2-CE2 3.57Å; W242-F247 AromaticContact CH2-CZ 3.92Å; W242-F247 HydrophobicContact CH2-CZ 3.92Å; W242-F247 HydrophobicContact CZ3-CD2 4.47Å; W242-F247 AromaticContact CZ3-CE2 3.59Å; W242-F247 HydrophobicContact CZ3-CE2 3.59Å; W242-F247 HydrophobicContact CZ3-CZ 4.31Å; W242-C711 WeakPolarHBondContact CA-SG 3.49Å; W242-C711 PolarHBondContact N-SG 3.48Å; W242-C711 VanDerWaalsContact N-SG 3.39Å; W242-S714 PolarHBondContact NE1-O 2.74Å; W242-F717 HydrophobicContact CB-CD2 4.34Å; W242-F717 HydrophobicContact CB-CE2 4.38Å; W242-F717 HydrophobicContact CD2-CB 4.26Å; W242-F717 AromaticContact CD2-CD2 3.5Å; W242-F717 HydrophobicContact CD2-CD2 3.5Å; W242-F717 VanDerWaalsContact CD2-CD2 3.5Å; W242-F717 HydrophobicContact CD2-CE2 4.34Å; W242-F717 HydrophobicContact CD2-CG 4.29Å; W242-F717 AromaticContact CE2-CD2 3.96Å; W242-F717 HydrophobicContact CE3-CB 4.22Å; W242-F717 AromaticContact CE3-CD2 3.63Å; W242-F717 HydrophobicContact CE3-CD2 3.63Å; W242-F717 HydrophobicContact CE3-CE2 4.42Å; W242-F717 HydrophobicContact CE3-CG 4.2Å; W242-F717 AromaticContact CG-CD2 3.79Å; W242-F717 HydrophobicContact CG-CD2 3.79Å; W242-F717 HydrophobicContact CG-CE2 4.29Å; W242-F717 HydrophobicContact CH2-CB 3.77Å; W242-F717 HydrophobicContact CZ2-CB 3.76Å; W242-F717 HydrophobicContact CZ3-CB 3.98Å; W242-F717 HydrophobicContact CZ3-CD2 4.23Å; W242-F717 HydrophobicContact CZ3-CG 4.34Å
243	C	92.9	Very high	89.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55	-42.8	177.6	-62.8	0	0	0	0	113.1	M97 F239 F240 K245 A246 F247	M97-C243 HydrophobicContact CE-CB 4.05Å; F239-C243 PolarHBondContact O-N 3.17Å; F239-C243 PolarHBondContact O-SG 2.93Å; F240-C243 WeakPolarHBondContact O-CB 3.45Å; F240-C243 PolarHBondContact O-N 2.79Å; F240-C243 VanDerWaalsContact O-N 3.17Å; C243-K245 PolarHBondContact O-N 2.94Å; C243-A246 PolarHBondContact O-N 3.23Å; C243-F247 HydrophobicContact CB-CD2 4.26Å; C243-F247 PolarHBondContact O-N 3.24Å; C243-F247 VanDerWaalsContact O-N 3.1Å
244	S	89.6	Confident	89.3	Confident	40 Å²	40	37 Å²	37	28%	0.28	18%	0.181	S	C	.	.	H	α-helix	trans	-66.1	-17.6	179.3	70.9	0	0	0	0	114.8	F240 K241 W242	F240-S244 PolarHBondContact O-N 3.41Å; K241-S244 PolarHBondContact O-N 2.98Å; K241-S244 PolarHBondContact O-OG 2.97Å; W242-S244 VanDerWaalsContact C-N 3.29Å; W242-S244 PolarHBondContact O-N 3.38Å
245	K	90.8	Very high	88.5	Confident	104 Å²	104	31.8 Å²	31.8	45%	0.452	16%	0.159	S	C	.	.	H	α-helix	trans	-96.9	-42.9	172.8	-72.7	-176.3	167.7	-167.9	0	112	W242 C243 C711 D713	W242-K245 PolarHBondContact O-N 3.46Å; C243-K245 PolarHBondContact O-N 2.94Å; K245-C711 PolarHBondContact NZ-O 2.91Å; K245-D713 IonicContact NZ-OD1 3.8Å; K245-D713 PolarHBondContact NZ-OD1 2.91Å
246	A	92.4	Very high	87.3	Confident	15 Å²	15	33.5 Å²	33.5	12%	0.124	17%	0.17	C	C	.	.	H	α-helix	trans	-79	-31.7	-167.2	0	0	0	0	0	113.1	R104 W242 C243	R104-A246 VanDerWaalsContact CZ-O 3.27Å; R104-A246 PolarHBondContact NH1-O 3.19Å; R104-A246 PolarHBondContact NH2-O 2.87Å; W242-A246 HydrophobicContact CD2-CB 4.01Å; W242-A246 VanDerWaalsContact CE2-CB 3.47Å; W242-A246 HydrophobicContact CG-CB 4.45Å; W242-A246 HydrophobicContact CH2-CB 4.2Å; W242-A246 HydrophobicContact CZ2-CB 3.58Å; W242-A246 VanDerWaalsContact O-CB 3.3Å; W242-A246 WeakPolarHBondContact O-CB 3.45Å; W242-A246 PolarHBondContact O-N 2.97Å; C243-A246 PolarHBondContact O-N 3.23Å
247	F	93.6	Very high	86	Confident	7 Å²	7	33.7 Å²	33.7	3%	0.031	17%	0.172	C	C	.	.	S	Bend	trans	-105.8	126.2	-177.6	-65.9	-77.3	0	0	0	112.4	M97 L100 R104 V117 N118 W242 C243 V250	M97-F247 HydrophobicContact CE-CB 4.37Å; M97-F247 HydrophobicContact CE-CD2 3.22Å; M97-F247 HydrophobicContact CE-CE2 3.48Å; M97-F247 VanDerWaalsContact CE-CE2 3.48Å; M97-F247 HydrophobicContact CE-CG 3.81Å; M97-F247 HydrophobicContact CE-CZ 4.26Å; L100-F247 HydrophobicContact CB-CE1 3.76Å; L100-F247 HydrophobicContact CB-CE2 4.41Å; L100-F247 HydrophobicContact CB-CZ 3.59Å; L100-F247 HydrophobicContact CD1-CE1 4.34Å; R104-F247 HydrophobicContact CG-CE1 4.37Å; R104-F247 VanDerWaalsContact NE-CE1 3.3Å; V117-F247 WeakPolarHBondContact O-CD1 3.4Å; V117-F247 WeakPolarHBondContact O-CE1 3.3Å; N118-F247 VanDerWaalsContact OD1-CA 3.25Å; N118-F247 WeakPolarHBondContact OD1-CA 3.39Å; W242-F247 AromaticContact CH2-CE2 3.57Å; W242-F247 HydrophobicContact CH2-CE2 3.57Å; W242-F247 AromaticContact CH2-CZ 3.92Å; W242-F247 HydrophobicContact CH2-CZ 3.92Å; W242-F247 HydrophobicContact CZ3-CD2 4.47Å; W242-F247 AromaticContact CZ3-CE2 3.59Å; W242-F247 HydrophobicContact CZ3-CE2 3.59Å; W242-F247 HydrophobicContact CZ3-CZ 4.31Å; C243-F247 HydrophobicContact CB-CD2 4.26Å; C243-F247 PolarHBondContact O-N 3.24Å; C243-F247 VanDerWaalsContact O-N 3.1Å; F247-V250 HydrophobicContact CB-CB 3.92Å; F247-V250 HydrophobicContact CB-CG2 3.48Å; F247-V250 VanDerWaalsContact CB-CG2 3.48Å; F247-V250 HydrophobicContact CG-CG2 4.34Å; F247-V250 PolarHBondContact O-N 3.44Å
248	K	91.6	Very high	84.5	Confident	142 Å²	142	35 Å²	35	62%	0.617	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	150.5	164.5	-60.8	175.4	-176.8	171.2	0	108.8	N118 V250	N118-K248 HydrophobicContact CB-CB 4.25Å; N118-K248 PolarHBondContact OD1-N 3.04Å; K248-V250 PolarHBondContact O-N 3.29Å; K248-V250 VanDerWaalsContact O-N 3.1Å
249	N	91.7	Very high	83	Confident	88 Å²	88	35.7 Å²	35.7	47%	0.471	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.5	3.6	-177.3	-58.3	-29.7	0	0	0	116.3	P119 T123	P119-N249 HydrophobicContact CB-CB 4.49Å; P119-N249 PolarHBondContact O-ND2 3.09Å; T123-N249 PolarHBondContact N-O 3.23Å
250	V	93.4	Very high	81.5	Confident	12 Å²	12	35.8 Å²	35.8	7%	0.073	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	116.1	174.7	178.5	0	0	0	0	110.5	M97 P119 T123 F247 K248 V252	M97-V250 HydrophobicContact CE-CG1 4.34Å; M97-V250 HydrophobicContact CE-CG2 3.9Å; M97-V250 HydrophobicContact SD-CG2 4.37Å; P119-V250 HydrophobicContact CG-CG2 3.68Å; T123-V250 WeakPolarHBondContact O-CA 3.43Å; F247-V250 HydrophobicContact CB-CB 3.92Å; F247-V250 HydrophobicContact CB-CG2 3.48Å; F247-V250 VanDerWaalsContact CB-CG2 3.48Å; F247-V250 HydrophobicContact CG-CG2 4.34Å; F247-V250 PolarHBondContact O-N 3.44Å; K248-V250 PolarHBondContact O-N 3.29Å; K248-V250 VanDerWaalsContact O-N 3.1Å; V250-V252 HydrophobicContact CG1-CG2 4.19Å
251	N	91.6	Very high	80.1	Confident	65 Å²	65	37 Å²	37	35%	0.348	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	138.9	170.3	175.2	34.6	0	0	0	109.1	T123 D124 L125	T123-N251 PolarHBondContact O-N 2.88Å; D124-N251 VanDerWaalsContact OD1-CB 3.32Å; D124-N251 WeakPolarHBondContact OD1-CB 3.48Å; D124-N251 PolarHBondContact OD1-ND2 3.42Å; L125-N251 PolarHBondContact N-O 3.05Å
252	V	88	Confident	78.9	Confident	10 Å²	10	38.2 Å²	38.2	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	114.3	176.6	-179.9	0	0	0	0	110	L125 V127 F240 V250 P254 W706	L125-V252 HydrophobicContact CB-CG2 4.31Å; L125-V252 HydrophobicContact CD2-CG1 4.16Å; L125-V252 CarbonylContact O-C 3.44Å; L125-V252 WeakPolarHBondContact O-CA 3.37Å; V127-V252 HydrophobicContact CG2-CG1 4.35Å; F240-V252 HydrophobicContact CB-CG1 4.18Å; V250-V252 HydrophobicContact CG1-CG2 4.19Å; V252-P254 WeakPolarHBondContact O-CD 3.45Å; V252-W706 HydrophobicContact CB-CH2 4.35Å; V252-W706 HydrophobicContact CB-CZ2 4.08Å; V252-W706 HydrophobicContact CG1-CH2 3.63Å; V252-W706 HydrophobicContact CG1-CZ2 3.75Å
253	V	82.3	Confident	77.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.1	170.3	-179.6	0	0	0	0	108.3	L125 I126 V127 V257 V263 L699	L125-V253 PolarHBondContact O-N 3.33Å; I126-V253 HydrophobicContact CB-CB 4.4Å; I126-V253 HydrophobicContact CD1-CG2 4.39Å; I126-V253 HydrophobicContact CG1-CB 4.04Å; I126-V253 HydrophobicContact CG1-CG2 4.03Å; I126-V253 HydrophobicContact CG2-CB 4.26Å; I126-V253 HydrophobicContact CG2-CG1 4.32Å; V127-V253 PolarHBondContact N-O 3.4Å; V253-V257 HydrophobicContact CG1-CB 3.67Å; V253-V257 HydrophobicContact CG1-CG1 3.68Å; V253-V257 HydrophobicContact CG1-CG2 4.01Å; V253-V263 HydrophobicContact CG1-CG1 4.25Å; V253-V263 HydrophobicContact CG2-CG1 4.07Å; V253-L699 HydrophobicContact CG1-CD2 4.29Å
254	P	73.7	Confident	76.7	Confident	12 Å²	12	38.3 Å²	38.3	8%	0.078	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-71.9	166.4	-176.3	30	-35.6	0	0	0	112.5	V252 V257 N703 W706	V252-P254 WeakPolarHBondContact O-CD 3.45Å; P254-V257 HydrophobicContact CG-CG2 3.88Å; P254-V257 WeakPolarHBondContact O-CG2 3.46Å; P254-N703 HydrophobicContact CB-CB 4.35Å; P254-N703 HydrophobicContact CG-CB 4.34Å; P254-W706 HydrophobicContact CB-CB 3.93Å; P254-W706 HydrophobicContact CB-CD2 3.71Å; P254-W706 HydrophobicContact CB-CE3 4.16Å; P254-W706 HydrophobicContact CB-CG 3.6Å; P254-W706 HydrophobicContact CG-CG 4.27Å
255	P	67.7	Low	75.9	Confident	5 Å²	5	37.2 Å²	37.2	3%	0.032	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	152.4	172.3	-23.4	32.3	0	0	0	112.9	V127 L237 V257 N703	V127-P255 HydrophobicContact CB-CG 4.11Å; V127-P255 HydrophobicContact CG1-CG 3.85Å; L237-P255 HydrophobicContact CD1-CG 4.34Å; L237-P255 HydrophobicContact CD2-CG 3.61Å; P255-V257 VanDerWaalsContact C-N 3.32Å; P255-V257 PolarHBondContact O-N 3.39Å; P255-N703 PolarHBondContact O-ND2 3.13Å
256	D	62.8	Low	74.9	Confident	110 Å²	110	33.5 Å²	33.5	59%	0.588	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	15.5	176.2	-158.1	31.2	0	0	0	115.7	Q226 R698	Q226-D256 VanDerWaalsContact NE2-CB 3.31Å; Q226-D256 PolarHBondContact NE2-OD2 3.45Å; D256-R698 PolarHBondContact O-NH1 3.15Å
257	V	59.9	Low	74.1	Confident	8 Å²	8	37.5 Å²	37.5	5%	0.048	20%	0.195	C	C	.	.	S	Bend	trans	-87.2	-53.9	171.7	174.7	0	0	0	0	111.2	V253 P254 P255 V263 L695 R698 L699	V253-V257 HydrophobicContact CG1-CB 3.67Å; V253-V257 HydrophobicContact CG1-CG1 3.68Å; V253-V257 HydrophobicContact CG1-CG2 4.01Å; P254-V257 HydrophobicContact CG-CG2 3.88Å; P254-V257 WeakPolarHBondContact O-CG2 3.46Å; P255-V257 VanDerWaalsContact C-N 3.32Å; P255-V257 PolarHBondContact O-N 3.39Å; V257-V263 HydrophobicContact CG1-CG2 4.15Å; V257-L695 HydrophobicContact CG1-CD1 3.54Å; V257-L695 WeakPolarHBondContact O-CD1 3.47Å; V257-R698 PolarHBondContact O-NH1 3.49Å; V257-L699 HydrophobicContact CG1-CD1 4.26Å; V257-L699 HydrophobicContact CG1-CD2 3.85Å; V257-L699 HydrophobicContact CG1-CG 3.87Å; V257-L699 HydrophobicContact CG2-CD2 4.17Å
258	G	56.7	Low	73.6	Confident	28 Å²	28	37.6 Å²	37.6	29%	0.289	20%	0.195	S	C	.	.			trans	172.4	178	-179.5	0	0	0	0	0	111.6
259	T	56.7	Low	73.3	Confident	73 Å²	73	31 Å²	31	45%	0.448	17%	0.167	S	C	.	.			trans	-77.8	155	175.3	58.9	0	0	0	0	111.4	H261 Q262 V263	T259-H261 PolarHBondContact O-N 3.33Å; T259-Q262 PolarHBondContact O-N 3.03Å; T259-Q262 VanDerWaalsContact O-N 3.17Å; T259-Q262 WeakPolarHBondContact OG1-CB 3.35Å; T259-V263 WeakPolarHBondContact O-CG2 3.29Å; T259-V263 PolarHBondContact O-N 3.37Å
260	I	61.5	Low	72.9	Confident	2 Å²	2	31.7 Å²	31.7	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-49	-50.2	-177.1	178.9	164.5	0	0	0	113.4	L87 Q89 I126 D128 N264	L87-I260 HydrophobicContact CD1-CG1 4.36Å; L87-I260 HydrophobicContact CD2-CD1 3.98Å; L87-I260 HydrophobicContact CD2-CG1 3.66Å; L87-I260 HydrophobicContact CG-CD1 3.89Å; L87-I260 HydrophobicContact CG-CG1 3.9Å; Q89-I260 HydrophobicContact CB-CD1 3.64Å; Q89-I260 HydrophobicContact CG-CD1 4.18Å; I126-I260 HydrophobicContact CB-CB 4.23Å; I126-I260 HydrophobicContact CB-CG1 4.38Å; I126-I260 HydrophobicContact CD1-CB 4.36Å; I126-I260 HydrophobicContact CD1-CG1 4.15Å; I126-I260 HydrophobicContact CG2-CB 4.36Å; D128-I260 WeakPolarHBondContact OD2-CB 3.37Å; D128-I260 VanDerWaalsContact OD2-CG2 3.27Å; D128-I260 WeakPolarHBondContact OD2-CG2 3.34Å; D128-I260 PolarHBondContact OD2-N 3.28Å; I260-N264 WeakPolarHBondContact O-CB 3.49Å; I260-N264 PolarHBondContact O-N 3.48Å
261	H	62.3	Low	72.9	Confident	27 Å²	27	31.1 Å²	31.1	13%	0.125	16%	0.16	C	C	.	.	H	α-helix	trans	-73.1	-37	-177.8	-47.5	-65	0	0	0	112.6	T259 N264 L265 D288 H290 T291 M293	T259-H261 PolarHBondContact O-N 3.33Å; H261-N264 PolarHBondContact O-N 3.18Å; H261-L265 WeakPolarHBondContact O-CG 3.18Å; H261-L265 PolarHBondContact O-N 3.24Å; H261-D288 IonicContact CE1-OD1 3.47Å; H261-D288 PolarHBondContact CE1-OD1 3.36Å; H261-D288 IonicContact NE2-OD1 3.82Å; H261-D288 PolarHBondContact NE2-OD1 2.8Å; H261-H290 PolarHBondContact ND1-O 3.3Å; H261-T291 PolarHBondContact CE1-N 2.91Å; H261-M293 HydrophobicContact CB-SD 3.66Å
262	Q	63.2	Low	73	Confident	54 Å²	54	28.3 Å²	28.3	25%	0.252	15%	0.145	S	C	.	.	H	α-helix	trans	-67	-47.9	178.7	-173.4	168.3	9.1	0	0	110.5	T259 N264 L265 E266	T259-Q262 PolarHBondContact O-N 3.03Å; T259-Q262 VanDerWaalsContact O-N 3.17Å; T259-Q262 WeakPolarHBondContact OG1-CB 3.35Å; Q262-N264 VanDerWaalsContact C-N 3.28Å; Q262-N264 PolarHBondContact O-N 2.87Å; Q262-L265 PolarHBondContact O-N 3.28Å; Q262-E266 HydrophobicContact CG-CG 4.04Å; Q262-E266 VanDerWaalsContact CG-OE1 3.3Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.34Å; Q262-E266 WeakPolarHBondContact CG-OE2 3.5Å; Q262-E266 PolarHBondContact NE2-OE1 2.87Å; Q262-E266 PolarHBondContact NE2-OE2 2.64Å; Q262-E266 VanDerWaalsContact O-CB 3.28Å; Q262-E266 WeakPolarHBondContact O-CB 3.27Å; Q262-E266 WeakPolarHBondContact O-CG 3.48Å; Q262-E266 PolarHBondContact O-N 2.84Å
263	V	67.2	Low	73.3	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-33.9	174.8	175	0	0	0	0	111.6	I126 V253 V257 T259 Y267 L268 L695	I126-V263 HydrophobicContact CD1-CB 3.77Å; I126-V263 HydrophobicContact CD1-CG1 3.71Å; V253-V263 HydrophobicContact CG1-CG1 4.25Å; V253-V263 HydrophobicContact CG2-CG1 4.07Å; V257-V263 HydrophobicContact CG1-CG2 4.15Å; T259-V263 WeakPolarHBondContact O-CG2 3.29Å; T259-V263 PolarHBondContact O-N 3.37Å; V263-Y267 WeakPolarHBondContact O-CA 3.36Å; V263-Y267 WeakPolarHBondContact O-CB 3.45Å; V263-Y267 PolarHBondContact O-N 3.42Å; V263-L268 HydrophobicContact CG1-CD1 4.34Å; V263-L268 HydrophobicContact CG1-CG 4.28Å; V263-L268 PolarHBondContact O-N 3.3Å; V263-L268 VanDerWaalsContact O-N 3.09Å; V263-L695 HydrophobicContact CG2-CD1 4.38Å
264	N	75.1	Confident	73.7	Confident	2 Å²	2	31.5 Å²	31.5	1%	0.011	16%	0.164	C	C	.	.	I	π-helix	trans	-63.3	-47.4	173.4	-177.1	33.3	0	0	0	112.2	R85 L87 I260 H261 Q262 S269	R85-N264 PolarHBondContact NH1-OD1 3.45Å; R85-N264 PolarHBondContact NH2-OD1 2.78Å; R85-N264 VanDerWaalsContact NH2-OD1 3.17Å; L87-N264 HydrophobicContact CD1-CB 4.39Å; L87-N264 HydrophobicContact CD2-CB 3.9Å; I260-N264 WeakPolarHBondContact O-CB 3.49Å; I260-N264 PolarHBondContact O-N 3.48Å; H261-N264 PolarHBondContact O-N 3.18Å; Q262-N264 VanDerWaalsContact C-N 3.28Å; Q262-N264 PolarHBondContact O-N 2.87Å; N264-S269 VanDerWaalsContact O-CB 3.28Å; N264-S269 WeakPolarHBondContact O-CB 2.83Å; N264-S269 PolarHBondContact O-N 3.09Å
265	L	72.3	Confident	74.4	Confident	17 Å²	17	33.2 Å²	33.2	9%	0.089	18%	0.176	C	C	.	.	I	π-helix	trans	-62.7	-49	174.3	-70.9	178.2	0	0	0	111.8	H261 Q262 S269 M293 I294 L297 T377	H261-L265 WeakPolarHBondContact O-CG 3.18Å; H261-L265 PolarHBondContact O-N 3.24Å; Q262-L265 PolarHBondContact O-N 3.28Å; L265-S269 PolarHBondContact O-OG 3.01Å; L265-M293 HydrophobicContact CD1-CE 3.6Å; L265-M293 HydrophobicContact CD1-CG 3.86Å; L265-M293 HydrophobicContact CD1-SD 3.64Å; L265-M293 HydrophobicContact CD2-CG 4.35Å; L265-M293 HydrophobicContact CG-CG 4.31Å; L265-M293 HydrophobicContact CG-SD 4.35Å; L265-I294 HydrophobicContact CD2-CD1 3.8Å; L265-L297 HydrophobicContact CD2-CD1 3.6Å; L265-L297 HydrophobicContact CD2-CG 4.09Å; L265-T377 HydrophobicContact CD1-CG2 4.12Å; L265-T377 HydrophobicContact CD2-CG2 3.67Å
266	E	70.1	Confident	75.4	Confident	27 Å²	27	40.4 Å²	40.4	13%	0.126	21%	0.214	C	C	.	.	I	π-helix	trans	-90.1	-20.1	-162.8	-59.4	-177.1	170.4	0	0	114.4	Q262 N407 I691 F692 L695	Q262-E266 HydrophobicContact CG-CG 4.04Å; Q262-E266 VanDerWaalsContact CG-OE1 3.3Å; Q262-E266 WeakPolarHBondContact CG-OE1 3.34Å; Q262-E266 WeakPolarHBondContact CG-OE2 3.5Å; Q262-E266 PolarHBondContact NE2-OE1 2.87Å; Q262-E266 PolarHBondContact NE2-OE2 2.64Å; Q262-E266 VanDerWaalsContact O-CB 3.28Å; Q262-E266 WeakPolarHBondContact O-CB 3.27Å; Q262-E266 WeakPolarHBondContact O-CG 3.48Å; Q262-E266 PolarHBondContact O-N 2.84Å; E266-N407 PolarHBondContact O-ND2 2.85Å; E266-I691 VanDerWaalsContact OE2-CG2 3.3Å; E266-I691 WeakPolarHBondContact OE2-CG2 3Å; E266-F692 VanDerWaalsContact CA-CZ 3.42Å; E266-F692 HydrophobicContact CB-CD1 4.09Å; E266-F692 HydrophobicContact CB-CD2 4.21Å; E266-F692 HydrophobicContact CB-CE1 3.62Å; E266-F692 HydrophobicContact CB-CE2 3.74Å; E266-F692 HydrophobicContact CB-CG 4.41Å; E266-F692 HydrophobicContact CB-CZ 3.46Å; E266-F692 VanDerWaalsContact CB-CZ 3.46Å; E266-F692 HydrophobicContact CG-CD2 4.19Å; E266-F692 HydrophobicContact CG-CE1 4.15Å; E266-F692 HydrophobicContact CG-CE2 3.43Å; E266-F692 VanDerWaalsContact CG-CE2 3.43Å; E266-F692 HydrophobicContact CG-CZ 3.44Å; E266-F692 VanDerWaalsContact CG-CZ 3.44Å; E266-F692 WeakPolarHBondContact O-CD1 3.15Å; E266-F692 WeakPolarHBondContact O-CE1 3.41Å; E266-L695 HydrophobicContact CB-CD2 3.8Å
267	Y	73.8	Confident	76.6	Confident	99 Å²	99	37.2 Å²	37.2	39%	0.388	21%	0.208	S	C	.	.	I	π-helix	trans	-132.1	-42.9	-174.3	-175.8	-108.2	0	0	0	114.3	V263 L699	V263-Y267 WeakPolarHBondContact O-CA 3.36Å; V263-Y267 WeakPolarHBondContact O-CB 3.45Å; V263-Y267 PolarHBondContact O-N 3.42Å; Y267-L699 HydrophobicContact CD1-CD1 3.67Å; Y267-L699 HydrophobicContact CD2-CD1 3.62Å; Y267-L699 HydrophobicContact CE1-CD1 3.76Å; Y267-L699 HydrophobicContact CE2-CD1 3.72Å; Y267-L699 HydrophobicContact CG-CD1 3.6Å
268	L	83.1	Confident	78.3	Confident	9 Å²	9	38.9 Å²	38.9	5%	0.047	22%	0.216	C	C	.	.	I	π-helix	trans	-88.2	-24.4	-173.8	-55.8	174.7	0	0	0	114.2	L87 D124 I126 V263 R270	L87-L268 HydrophobicContact CD1-CD1 3.8Å; D124-L268 HydrophobicContact CB-CD1 3.48Å; D124-L268 VanDerWaalsContact CB-CD1 3.48Å; D124-L268 HydrophobicContact CB-CD2 4.29Å; D124-L268 HydrophobicContact CB-CG 4.46Å; D124-L268 WeakPolarHBondContact OD1-CD2 3.45Å; I126-L268 HydrophobicContact CD1-CD1 3.84Å; V263-L268 HydrophobicContact CG1-CD1 4.34Å; V263-L268 HydrophobicContact CG1-CG 4.28Å; V263-L268 PolarHBondContact O-N 3.3Å; V263-L268 VanDerWaalsContact O-N 3.09Å; L268-R270 VanDerWaalsContact O-CG 3.32Å; L268-R270 WeakPolarHBondContact O-CG 3.38Å; L268-R270 PolarHBondContact O-N 3.44Å
269	S	85.4	Confident	80.2	Confident	3 Å²	3	37.6 Å²	37.6	2%	0.021	20%	0.203	C	C	.	.			trans	-58.4	130.8	-179.2	66.2	0	0	0	0	111.1	N264 L265 F403	N264-S269 VanDerWaalsContact O-CB 3.28Å; N264-S269 WeakPolarHBondContact O-CB 2.83Å; N264-S269 PolarHBondContact O-N 3.09Å; L265-S269 PolarHBondContact O-OG 3.01Å; S269-F403 WeakPolarHBondContact OG-CE1 3.17Å; S269-F403 WeakPolarHBondContact OG-CZ 3.45Å
270	R	84.4	Confident	82.1	Confident	102 Å²	102	35.5 Å²	35.5	39%	0.385	19%	0.186	S	C	.	.			trans	-115.5	-22.9	179.6	-51.9	-157.6	-168.8	163	-12.3	113.8	L268 V272 D282 F408	L268-R270 VanDerWaalsContact O-CG 3.32Å; L268-R270 WeakPolarHBondContact O-CG 3.38Å; L268-R270 PolarHBondContact O-N 3.44Å; R270-V272 CarbonylContact C-O 3.53Å; R270-V272 VanDerWaalsContact CB-O 3.23Å; R270-V272 WeakPolarHBondContact CB-O 3.19Å; R270-V272 PolarHBondContact O-N 3.24Å; R270-D282 PolarHBondContact N-OD2 3.26Å; R270-D282 VanDerWaalsContact N-OD2 3.16Å; R270-F408 WeakPolarHBondContact O-CE2 3.46Å; R270-F408 VanDerWaalsContact O-CZ 3.3Å; R270-F408 WeakPolarHBondContact O-CZ 3.3Å
271	V	92.5	Very high	83.8	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.006	19%	0.187	C	C	.	.	S	Bend	trans	63	-46.9	-172.5	-170.3	0	0	0	0	113.4	D282 I299 V395 F403 F408 L416 M420	V271-D282 WeakPolarHBondContact O-CB 3.38Å; V271-D282 PolarHBondContact O-N 2.88Å; V271-I299 HydrophobicContact CG2-CD1 4.11Å; V271-I299 HydrophobicContact CG2-CG1 4.42Å; V271-V395 HydrophobicContact CG1-CG2 3.85Å; V271-F403 HydrophobicContact CG2-CD2 3.82Å; V271-F403 HydrophobicContact CG2-CE1 4.23Å; V271-F403 HydrophobicContact CG2-CE2 3.2Å; V271-F403 HydrophobicContact CG2-CZ 3.44Å; V271-F403 VanDerWaalsContact CG2-CZ 3.44Å; V271-F408 HydrophobicContact CB-CE2 4.49Å; V271-F408 HydrophobicContact CG2-CE2 4.17Å; V271-F408 HydrophobicContact CG2-CZ 4.3Å; V271-L416 HydrophobicContact CB-CD1 3.77Å; V271-L416 HydrophobicContact CB-CG 4.42Å; V271-L416 HydrophobicContact CG1-CD1 3.87Å; V271-L416 HydrophobicContact CG1-CD2 4.23Å; V271-L416 HydrophobicContact CG1-CG 4.14Å; V271-L416 HydrophobicContact CG2-CD1 4.3Å; V271-M420 HydrophobicContact CG1-CE 3.89Å; V271-M420 WeakPolarHBondContact O-CE 3.47Å
272	V	94.3	Very high	85.4	Confident	6 Å²	6	34.2 Å²	34.2	4%	0.036	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.4	166.1	-67.3	0	0	0	0	109.5	R270 I279 Y280 L416 Y419 M420	R270-V272 CarbonylContact C-O 3.53Å; R270-V272 VanDerWaalsContact CB-O 3.23Å; R270-V272 WeakPolarHBondContact CB-O 3.19Å; R270-V272 PolarHBondContact O-N 3.24Å; V272-I279 HydrophobicContact CB-CD1 3.95Å; V272-I279 HydrophobicContact CB-CG1 4.05Å; V272-I279 HydrophobicContact CG1-CD1 4.29Å; V272-I279 HydrophobicContact CG1-CG1 4.48Å; V272-I279 HydrophobicContact CG2-CD1 4.05Å; V272-Y280 WeakPolarHBondContact CA-O 3.34Å; V272-L416 HydrophobicContact CG1-CG 4.09Å; V272-L416 HydrophobicContact CG2-CB 4.07Å; V272-L416 HydrophobicContact CG2-CG 4.14Å; V272-Y419 HydrophobicContact CG1-CD1 3.5Å; V272-Y419 HydrophobicContact CG1-CE1 4.07Å; V272-Y419 HydrophobicContact CG1-CG 4.42Å; V272-M420 HydrophobicContact CG1-CE 3.72Å; V272-M420 HydrophobicContact CG1-CG 4.48Å; V272-M420 HydrophobicContact CG1-SD 4.49Å
273	Q	93.4	Very high	87	Confident	4 Å²	4	31.7 Å²	31.7	2%	0.019	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	141.1	173.6	-66.7	-77.3	-4.1	0	0	108.4	A84 I279 Y280 D282	A84-Q273 HydrophobicContact CB-CG 3.94Å; Q273-I279 VanDerWaalsContact O-CA 3.29Å; Q273-I279 WeakPolarHBondContact O-CA 3.29Å; Q273-Y280 HydrophobicContact CB-CD2 3.82Å; Q273-Y280 HydrophobicContact CB-CE1 4.32Å; Q273-Y280 HydrophobicContact CB-CE2 3.44Å; Q273-Y280 VanDerWaalsContact CB-CE2 3.44Å; Q273-Y280 HydrophobicContact CB-CG 4.41Å; Q273-Y280 HydrophobicContact CG-CD2 4.44Å; Q273-Y280 HydrophobicContact CG-CE2 4.02Å; Q273-Y280 PolarHBondContact N-O 3.09Å; Q273-Y280 PolarHBondContact O-N 3.14Å; Q273-Y280 VanDerWaalsContact O-N 3.08Å; Q273-D282 HydrophobicContact CG-CB 4.12Å; Q273-D282 PolarHBondContact NE2-OD1 3.28Å
274	V	91.9	Very high	88.4	Confident	73 Å²	73	31.7 Å²	31.7	44%	0.442	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.2	170.9	-176	0	0	0	0	107.4	I23 L278 I279	I23-V274 HydrophobicContact CG2-CG1 4.44Å; V274-L278 WeakPolarHBondContact CA-O 3.48Å; V274-I279 HydrophobicContact CG2-CB 4.19Å; V274-I279 HydrophobicContact CG2-CD1 4.1Å; V274-I279 HydrophobicContact CG2-CG1 4.1Å
275	S	89.2	Confident	89.3	Confident	47 Å²	47	31.6 Å²	31.6	33%	0.329	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	137.4	177.3	-161.4	0	0	0	0	109	G277 L278 Y280	S275-G277 PolarHBondContact O-N 3.01Å; S275-L278 PolarHBondContact N-O 2.72Å; S275-L278 PolarHBondContact O-N 3.33Å; S275-Y280 WeakPolarHBondContact CB-OH 3.31Å
276	D	87	Confident	90.2	Very high	156 Å²	156	30.8 Å²	30.8	83%	0.834	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	30.8	171.3	-47.9	-68.8	0	0	0	114.4	L278	D276-L278 VanDerWaalsContact C-N 3.3Å; D276-L278 PolarHBondContact O-N 2.68Å
277	G	89.6	Confident	90.7	Very high	44 Å²	44	30 Å²	30	45%	0.454	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	2.9	-177.5	0	0	0	0	0	115.4	K24 S275	K24-G277 PolarHBondContact N-O 2.95Å; S275-G277 PolarHBondContact O-N 3.01Å
278	L	94.1	Very high	90.6	Very high	43 Å²	43	26.6 Å²	26.6	23%	0.225	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	138.6	175	-73.1	167.2	0	0	0	111.9	K24 Y26 V274 S275 D276 Y280	K24-L278 HydrophobicContact CB-CD2 3.85Å; K24-L278 CarbonylContact O-C 3.55Å; K24-L278 VanDerWaalsContact O-CA 3.25Å; K24-L278 WeakPolarHBondContact O-CA 3.19Å; Y26-L278 HydrophobicContact CE2-CD1 4.33Å; Y26-L278 HydrophobicContact CE2-CD2 4.37Å; V274-L278 WeakPolarHBondContact CA-O 3.48Å; S275-L278 PolarHBondContact N-O 2.72Å; S275-L278 PolarHBondContact O-N 3.33Å; D276-L278 VanDerWaalsContact C-N 3.3Å; D276-L278 PolarHBondContact O-N 2.68Å; L278-Y280 HydrophobicContact CB-CD1 4.42Å
279	I	96.3	Very high	89.9	Confident	1 Å²	1	28.7 Å²	28.7	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136	167.6	-175	165.7	0	0	0	111.3	L19 I23 K24 F25 V272 Q273 V274 L415 Y419	L19-I279 HydrophobicContact CD1-CG2 3.8Å; I23-I279 HydrophobicContact CG2-CB 3.79Å; I23-I279 HydrophobicContact CG2-CG2 3.71Å; K24-I279 PolarHBondContact O-N 3.46Å; F25-I279 HydrophobicContact CB-CG2 3.8Å; F25-I279 WeakPolarHBondContact CB-O 3.17Å; V272-I279 HydrophobicContact CB-CD1 3.95Å; V272-I279 HydrophobicContact CB-CG1 4.05Å; V272-I279 HydrophobicContact CG1-CD1 4.29Å; V272-I279 HydrophobicContact CG1-CG1 4.48Å; V272-I279 HydrophobicContact CG2-CD1 4.05Å; Q273-I279 VanDerWaalsContact O-CA 3.29Å; Q273-I279 WeakPolarHBondContact O-CA 3.29Å; V274-I279 HydrophobicContact CG2-CB 4.19Å; V274-I279 HydrophobicContact CG2-CD1 4.1Å; V274-I279 HydrophobicContact CG2-CG1 4.1Å; I279-L415 HydrophobicContact CD1-CD1 4.12Å; I279-L415 HydrophobicContact CD1-CD2 4.24Å; I279-L415 HydrophobicContact CD1-CG 3.94Å; I279-Y419 HydrophobicContact CB-CD2 4.47Å; I279-Y419 HydrophobicContact CD1-CD1 4.33Å; I279-Y419 HydrophobicContact CD1-CD2 4.37Å; I279-Y419 HydrophobicContact CD1-CG 3.9Å; I279-Y419 HydrophobicContact CG1-CD1 4.21Å; I279-Y419 HydrophobicContact CG1-CD2 4.11Å; I279-Y419 HydrophobicContact CG1-CG 3.96Å; I279-Y419 HydrophobicContact CG2-CD2 3.62Å; I279-Y419 HydrophobicContact CG2-CE2 4.04Å; I279-Y419 HydrophobicContact CG2-CG 4.23Å
280	Y	96.8	Very high	89.2	Confident	28 Å²	28	30.5 Å²	30.5	11%	0.11	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	165.4	-178.7	51.5	-87.9	0	0	0	111.3	E48 R52 A84 V272 Q273 S275 L278 Y419	E48-Y280 VanDerWaalsContact OE1-CB 3.3Å; E48-Y280 WeakPolarHBondContact OE1-CB 2.98Å; R52-Y280 VanDerWaalsContact NE-CB 3.35Å; A84-Y280 HydrophobicContact CB-CD2 4.36Å; A84-Y280 HydrophobicContact CB-CE2 3.89Å; V272-Y280 WeakPolarHBondContact CA-O 3.34Å; Q273-Y280 HydrophobicContact CB-CD2 3.82Å; Q273-Y280 HydrophobicContact CB-CE1 4.32Å; Q273-Y280 HydrophobicContact CB-CE2 3.44Å; Q273-Y280 VanDerWaalsContact CB-CE2 3.44Å; Q273-Y280 HydrophobicContact CB-CG 4.41Å; Q273-Y280 HydrophobicContact CG-CD2 4.44Å; Q273-Y280 HydrophobicContact CG-CE2 4.02Å; Q273-Y280 PolarHBondContact N-O 3.09Å; Q273-Y280 PolarHBondContact O-N 3.14Å; Q273-Y280 VanDerWaalsContact O-N 3.08Å; S275-Y280 WeakPolarHBondContact CB-OH 3.31Å; L278-Y280 HydrophobicContact CB-CD1 4.42Å; Y280-Y419 WeakPolarHBondContact CA-OH 3.31Å
281	P	97.4	Very high	89.2	Confident	2 Å²	2	25.6 Å²	25.6	1%	0.013	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	142.2	-176.4	-15	32	0	0	0	111.3	I45 E48 Y419 M420 L425	I45-P281 HydrophobicContact CG1-CB 4.38Å; I45-P281 HydrophobicContact CG2-CB 4.36Å; E48-P281 VanDerWaalsContact CD-CD 3.48Å; E48-P281 HydrophobicContact CG-CG 4.24Å; E48-P281 VanDerWaalsContact OE2-CD 3.26Å; E48-P281 WeakPolarHBondContact OE2-CD 3.35Å; P281-Y419 VanDerWaalsContact CD-OH 3.27Å; P281-Y419 WeakPolarHBondContact CD-OH 3.29Å; P281-Y419 HydrophobicContact CG-CE1 4.19Å; P281-M420 HydrophobicContact CB-CE 4.43Å; P281-L425 HydrophobicContact CB-CD1 4.36Å; P281-L425 HydrophobicContact CG-CD1 3.7Å
282	D	96.8	Very high	88.9	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	16%	0.156	C	C	.	.			trans	-67.5	139.3	168.4	-170.6	30.3	0	0	0	109.6	R85 R270 V271 Q273 I299	R85-D282 WeakPolarHBondContact CD-OD1 3.45Å; R85-D282 IonicContact CZ-OD1 3.42Å; R85-D282 IonicContact CZ-OD2 3.58Å; R85-D282 IonicContact NE-OD1 3.8Å; R85-D282 PolarHBondContact NE-OD1 3.24Å; R85-D282 IonicContact NE-OD2 2.71Å; R85-D282 PolarHBondContact NE-OD2 3.39Å; R85-D282 IonicContact NH2-OD1 2.64Å; R85-D282 IonicContact NH2-OD2 2.8Å; R85-D282 PolarHBondContact NH2-OD2 3.11Å; R270-D282 PolarHBondContact N-OD2 3.26Å; R270-D282 VanDerWaalsContact N-OD2 3.16Å; V271-D282 WeakPolarHBondContact O-CB 3.38Å; V271-D282 PolarHBondContact O-N 2.88Å; Q273-D282 HydrophobicContact CG-CB 4.12Å; Q273-D282 PolarHBondContact NE2-OD1 3.28Å; D282-I299 HydrophobicContact CB-CG1 4.19Å; D282-I299 HydrophobicContact CB-CG2 4.29Å
283	S	97.4	Very high	88.4	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.007	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	144.7	177.8	49.2	0	0	0	0	109.7	A84 R85 L300	A84-S283 PolarHBondContact N-O 2.99Å; A84-S283 PolarHBondContact N-OG 2.93Å; R85-S283 WeakPolarHBondContact CG-O 3.33Å; R85-S283 PolarHBondContact N-O 2.92Å; S283-L300 CarbonylContact C-O 3.47Å; S283-L300 WeakPolarHBondContact CA-O 3.45Å; S283-L300 VanDerWaalsContact CB-O 3.31Å; S283-L300 WeakPolarHBondContact CB-O 3.42Å
284	V	95.9	Very high	88.3	Confident	0 Å²	0	27 Å²	27	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	132.4	-168.4	60.1	0	0	0	0	112.5	R85 L87 T291 I294 I299 L300 G301 W302	R85-V284 HydrophobicContact CG-CB 3.93Å; R85-V284 HydrophobicContact CG-CG2 4.05Å; R85-V284 WeakPolarHBondContact O-CA 3.49Å; L87-V284 HydrophobicContact CB-CG2 3.75Å; V284-T291 HydrophobicContact CG1-CG2 4.26Å; V284-I294 HydrophobicContact CG1-CB 4.46Å; V284-I294 HydrophobicContact CG1-CG1 4.24Å; V284-I294 HydrophobicContact CG1-CG2 3.68Å; V284-I299 HydrophobicContact CG1-CG2 4.25Å; V284-L300 PolarHBondContact N-O 3.27Å; V284-G301 CarbonylContact O-C 3.47Å; V284-G301 WeakPolarHBondContact O-CA 3.27Å; V284-W302 PolarHBondContact O-N 3.36Å
285	V	94.4	Very high	88.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	137	163.1	-60	0	0	0	0	109	F81 P83 R85 V86 L87 W302 V304 V312 V318	F81-V285 HydrophobicContact CE1-CG1 4.45Å; P83-V285 HydrophobicContact CB-CG1 4.09Å; P83-V285 HydrophobicContact CB-CG2 4.45Å; P83-V285 HydrophobicContact CG-CB 4.44Å; P83-V285 HydrophobicContact CG-CG1 3.98Å; P83-V285 HydrophobicContact CG-CG2 3.76Å; R85-V285 PolarHBondContact O-N 3.2Å; V86-V285 WeakPolarHBondContact CA-O 3.45Å; V86-V285 HydrophobicContact CG2-CG2 4.17Å; L87-V285 PolarHBondContact N-O 2.96Å; V285-W302 WeakPolarHBondContact CA-O 3.34Å; V285-W302 HydrophobicContact CG1-CD2 4.46Å; V285-W302 HydrophobicContact CG1-CZ2 4.35Å; V285-V304 HydrophobicContact CB-CB 4.41Å; V285-V304 HydrophobicContact CB-CG1 3.8Å; V285-V304 HydrophobicContact CB-CG2 3.71Å; V285-V304 HydrophobicContact CG1-CG1 4.03Å; V285-V304 HydrophobicContact CG2-CG2 3.85Å; V285-V312 HydrophobicContact CG2-CB 4.47Å; V285-V312 HydrophobicContact CG2-CG1 4.23Å; V285-V312 HydrophobicContact CG2-CG2 4.23Å; V285-V318 HydrophobicContact CG1-CG2 4.21Å; V285-V318 HydrophobicContact CG2-CG2 4.47Å
286	G	89.6	Confident	88.7	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151.6	-173.8	0	0	0	0	0	112.4	L87 D288 T291 W302 G303 V304	L87-G286 CarbonylContact O-C 3.53Å; L87-G286 WeakPolarHBondContact O-CA 3.36Å; G286-D288 PolarHBondContact O-N 3.33Å; G286-T291 WeakPolarHBondContact CA-OG1 3.22Å; G286-W302 PolarHBondContact N-O 3.4Å; G286-W302 VanDerWaalsContact N-O 3.09Å; G286-G303 CarbonylContact O-C 3.59Å; G286-G303 VanDerWaalsContact O-CA 3.28Å; G286-G303 WeakPolarHBondContact O-CA 3.43Å; G286-V304 PolarHBondContact O-N 3.04Å
287	T	81.4	Confident	89	Confident	11 Å²	11	14 Å²	14	7%	0.067	9%	0.086	C	C	.	.	S	Bend	trans	-81.5	29.2	178.8	54.7	0	0	0	0	113.9	L87 L88 T92 S309	L87-T287 PolarHBondContact O-N 2.87Å; L88-T287 HydrophobicContact CD2-CG2 3.57Å; T92-T287 WeakPolarHBondContact CB-OG1 3.47Å; T92-T287 VanDerWaalsContact OG1-CB 3.31Å; T92-T287 WeakPolarHBondContact OG1-CB 3.48Å; T92-T287 PolarHBondContact OG1-OG1 2.88Å; T287-S309 WeakPolarHBondContact CG2-OG 3.35Å
288	D	72.7	Confident	89.3	Confident	27 Å²	27	12 Å²	12	14%	0.144	7%	0.066	C	C	.	.	S	Bend	trans	-139.8	139.5	177.8	-169.6	-75.1	0	0	0	110.3	H261 G286 H290 T291 G303	H261-D288 IonicContact CE1-OD1 3.47Å; H261-D288 PolarHBondContact CE1-OD1 3.36Å; H261-D288 IonicContact NE2-OD1 3.82Å; H261-D288 PolarHBondContact NE2-OD1 2.8Å; G286-D288 PolarHBondContact O-N 3.33Å; D288-H290 VanDerWaalsContact C-N 3.29Å; D288-H290 PolarHBondContact O-N 3.33Å; D288-H290 PolarHBondContact OD1-N 3Å; D288-H290 IonicContact OD1-ND1 2.67Å; D288-T291 WeakPolarHBondContact O-CB 3.4Å; D288-T291 PolarHBondContact O-N 2.92Å; D288-T291 PolarHBondContact O-OG1 3.24Å; D288-G303 WeakPolarHBondContact O-CA 3.4Å
289	S	66.9	Low	89.4	Confident	53 Å²	53	10 Å²	10	37%	0.371	6%	0.055	S	C	.	.	G	3₁₀ helix	trans	-60.7	-34.9	-178.7	42.6	0	0	0	0	113.8	T291	S289-T291 PolarHBondContact O-N 2.92Å
290	H	72.2	Confident	89.5	Confident	40 Å²	40	9.9 Å²	9.9	19%	0.185	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-86.5	8.5	-175.3	-67.9	78.1	0	0	0	112.4	H261 D288 T292 M293 N381 E385	H261-H290 PolarHBondContact ND1-O 3.3Å; D288-H290 VanDerWaalsContact C-N 3.29Å; D288-H290 PolarHBondContact O-N 3.33Å; D288-H290 PolarHBondContact OD1-N 3Å; D288-H290 IonicContact OD1-ND1 2.67Å; H290-T292 PolarHBondContact O-N 3.48Å; H290-M293 WeakPolarHBondContact O-CB 3.35Å; H290-M293 PolarHBondContact O-N 3.05Å; H290-N381 PolarHBondContact CD2-O 3.43Å; H290-E385 IonicContact CE1-OE1 2.85Å; H290-E385 IonicContact NE2-OE1 3.82Å; H290-E385 PolarHBondContact NE2-OE1 3.3Å; H290-E385 IonicContact NE2-OE2 3.19Å
291	T	83.8	Confident	89.4	Confident	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-49.5	-27.9	164.5	-57.7	0	0	0	0	111.6	H261 V284 G286 D288 S289 M293 I294	H261-T291 PolarHBondContact CE1-N 2.91Å; V284-T291 HydrophobicContact CG1-CG2 4.26Å; G286-T291 WeakPolarHBondContact CA-OG1 3.22Å; D288-T291 WeakPolarHBondContact O-CB 3.4Å; D288-T291 PolarHBondContact O-N 2.92Å; D288-T291 PolarHBondContact O-OG1 3.24Å; S289-T291 PolarHBondContact O-N 2.92Å; T291-M293 PolarHBondContact O-N 2.88Å; T291-I294 WeakPolarHBondContact O-CG2 3.27Å; T291-I294 PolarHBondContact O-N 3.31Å
292	T	85.9	Confident	89.2	Confident	4 Å²	4	9.3 Å²	9.3	3%	0.025	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-56.6	-18.6	175.1	60.7	0	0	0	0	114.9	H290 I294 N295 W302 A380 C383	H290-T292 PolarHBondContact O-N 3.48Å; T292-I294 PolarHBondContact O-N 3.05Å; T292-I294 VanDerWaalsContact O-N 3.15Å; T292-N295 VanDerWaalsContact CA-ND2 3.3Å; T292-N295 WeakPolarHBondContact CA-ND2 3.39Å; T292-N295 VanDerWaalsContact O-CB 3.31Å; T292-N295 WeakPolarHBondContact O-CB 3.29Å; T292-N295 PolarHBondContact O-N 3.49Å; T292-N295 VanDerWaalsContact O-N 3.09Å; T292-N295 PolarHBondContact O-ND2 3.03Å; T292-W302 HydrophobicContact CG2-CB 4.1Å; T292-A380 CarbonylContact C-O 3.56Å; T292-A380 WeakPolarHBondContact CB-O 3.28Å; T292-A380 WeakPolarHBondContact O-CB 3.38Å; T292-A380 PolarHBondContact OG1-O 2.67Å; T292-C383 HydrophobicContact CG2-CB 3.96Å; T292-C383 WeakPolarHBondContact OG1-CB 3.48Å
293	M	83.4	Confident	88.6	Confident	37 Å²	37	10.7 Å²	10.7	18%	0.182	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-52.5	-34	175.2	-174.4	174.5	-154.6	0	0	113.1	H261 L265 H290 T291 N295 G296 N381	H261-M293 HydrophobicContact CB-SD 3.66Å; L265-M293 HydrophobicContact CD1-CE 3.6Å; L265-M293 HydrophobicContact CD1-CG 3.86Å; L265-M293 HydrophobicContact CD1-SD 3.64Å; L265-M293 HydrophobicContact CD2-CG 4.35Å; L265-M293 HydrophobicContact CG-CG 4.31Å; L265-M293 HydrophobicContact CG-SD 4.35Å; H290-M293 WeakPolarHBondContact O-CB 3.35Å; H290-M293 PolarHBondContact O-N 3.05Å; T291-M293 PolarHBondContact O-N 2.88Å; M293-N295 PolarHBondContact O-N 3.08Å; M293-G296 PolarHBondContact O-N 2.86Å; M293-N381 HydrophobicContact CB-CB 3.92Å; M293-N381 HydrophobicContact CG-CB 3.92Å; M293-N381 HydrophobicContact SD-CB 4.39Å
294	I	91.2	Very high	87.9	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-64.9	-23.8	-178.5	-156.7	55.5	0	0	0	113.1	L265 V284 T291 T292 G296 L297 I299	L265-I294 HydrophobicContact CD2-CD1 3.8Å; V284-I294 HydrophobicContact CG1-CB 4.46Å; V284-I294 HydrophobicContact CG1-CG1 4.24Å; V284-I294 HydrophobicContact CG1-CG2 3.68Å; T291-I294 WeakPolarHBondContact O-CG2 3.27Å; T291-I294 PolarHBondContact O-N 3.31Å; T292-I294 PolarHBondContact O-N 3.05Å; T292-I294 VanDerWaalsContact O-N 3.15Å; I294-G296 PolarHBondContact O-N 3.1Å; I294-L297 PolarHBondContact O-N 3.12Å; I294-I299 HydrophobicContact CD1-CD1 3.9Å; I294-I299 HydrophobicContact CG1-CB 3.86Å; I294-I299 HydrophobicContact CG1-CD1 3.95Å; I294-I299 HydrophobicContact CG1-CG2 3.67Å; I294-I299 HydrophobicContact CG2-CB 4.48Å; I294-I299 HydrophobicContact CG2-CG2 4.14Å
295	N	96.3	Very high	86.8	Confident	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-64.9	-18.2	177.4	-63.5	-64.7	0	0	0	113.2	T292 M293 L297 G298 I299 L300 G301 A380 S391 F392 F393	T292-N295 VanDerWaalsContact CA-ND2 3.3Å; T292-N295 WeakPolarHBondContact CA-ND2 3.39Å; T292-N295 VanDerWaalsContact O-CB 3.31Å; T292-N295 WeakPolarHBondContact O-CB 3.29Å; T292-N295 PolarHBondContact O-N 3.49Å; T292-N295 VanDerWaalsContact O-N 3.09Å; T292-N295 PolarHBondContact O-ND2 3.03Å; M293-N295 PolarHBondContact O-N 3.08Å; N295-L297 PolarHBondContact O-N 3.33Å; N295-G298 PolarHBondContact O-N 3.21Å; N295-I299 VanDerWaalsContact CA-O 3.27Å; N295-I299 WeakPolarHBondContact CA-O 3.31Å; N295-I299 PolarHBondContact N-O 2.82Å; N295-I299 PolarHBondContact OD1-O 3.34Å; N295-I299 VanDerWaalsContact OD1-O 3.08Å; N295-L300 WeakPolarHBondContact OD1-CA 3.38Å; N295-G301 PolarHBondContact ND2-O 3.47Å; N295-G301 PolarHBondContact OD1-N 3.39Å; N295-G301 PolarHBondContact OD1-O 2.8Å; N295-A380 HydrophobicContact CB-CB 4.2Å; N295-S391 WeakPolarHBondContact CB-O 3.34Å; N295-F392 HydrophobicContact CB-CD2 4.22Å; N295-F393 PolarHBondContact O-N 2.91Å
296	G	93.5	Very high	86	Confident	0 Å²	0	11.2 Å²	11.2	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-67.6	-11.5	172.7	0	0	0	0	0	114.4	M293 I294 R376	M293-G296 PolarHBondContact O-N 2.86Å; I294-G296 PolarHBondContact O-N 3.1Å; G296-R376 WeakPolarHBondContact O-CB 3.46Å
297	L	92.8	Very high	85.4	Confident	1 Å²	1	11.8 Å²	11.8	1%	0.005	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-113.3	18.4	176.5	-58.2	-177.7	0	0	0	112.7	L265 I294 N295 I299 A373 T377 F403	L265-L297 HydrophobicContact CD2-CD1 3.6Å; L265-L297 HydrophobicContact CD2-CG 4.09Å; I294-L297 PolarHBondContact O-N 3.12Å; N295-L297 PolarHBondContact O-N 3.33Å; L297-I299 VanDerWaalsContact C-N 3.32Å; L297-I299 PolarHBondContact O-N 3.19Å; L297-A373 HydrophobicContact CD2-CB 3.83Å; L297-T377 HydrophobicContact CD2-CG2 4.01Å; L297-T377 HydrophobicContact CG-CG2 3.83Å; L297-F403 HydrophobicContact CB-CE2 4.32Å; L297-F403 HydrophobicContact CD1-CE2 4.17Å; L297-F403 HydrophobicContact CD1-CZ 3.84Å
298	G	95.9	Very high	85.3	Confident	3 Å²	3	13.2 Å²	13.2	3%	0.031	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	16.5	178.7	0	0	0	0	0	115.9	N295 F392 F393	N295-G298 PolarHBondContact O-N 3.21Å; G298-F392 VanDerWaalsContact C-CE2 3.47Å; G298-F392 WeakPolarHBondContact O-CE2 3.36Å; G298-F392 WeakPolarHBondContact O-CZ 3.19Å; G298-F393 WeakPolarHBondContact CA-O 3.43Å; G298-F393 PolarHBondContact N-O 3.47Å; G298-F393 VanDerWaalsContact N-O 3.08Å
299	I	97.4	Very high	86	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.			trans	-101.2	118.5	176.8	-66	164.7	0	0	0	108.4	V271 D282 V284 I294 N295 L297 G301	V271-I299 HydrophobicContact CG2-CD1 4.11Å; V271-I299 HydrophobicContact CG2-CG1 4.42Å; D282-I299 HydrophobicContact CB-CG1 4.19Å; D282-I299 HydrophobicContact CB-CG2 4.29Å; V284-I299 HydrophobicContact CG1-CG2 4.25Å; I294-I299 HydrophobicContact CD1-CD1 3.9Å; I294-I299 HydrophobicContact CG1-CB 3.86Å; I294-I299 HydrophobicContact CG1-CD1 3.95Å; I294-I299 HydrophobicContact CG1-CG2 3.67Å; I294-I299 HydrophobicContact CG2-CB 4.48Å; I294-I299 HydrophobicContact CG2-CG2 4.14Å; N295-I299 VanDerWaalsContact CA-O 3.27Å; N295-I299 WeakPolarHBondContact CA-O 3.31Å; N295-I299 PolarHBondContact N-O 2.82Å; N295-I299 PolarHBondContact OD1-O 3.34Å; N295-I299 VanDerWaalsContact OD1-O 3.08Å; L297-I299 VanDerWaalsContact C-N 3.32Å; L297-I299 PolarHBondContact O-N 3.19Å; I299-G301 PolarHBondContact O-N 3.18Å
300	L	97.9	Very high	86.8	Confident	0 Å²	0	9.5 Å²	9.5	0%	0	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	120.5	-178	-175.9	64.5	0	0	0	110.8	I45 L46 F81 S283 V284 N295 W302 F360 V390 F392	I45-L300 HydrophobicContact CB-CB 4.42Å; I45-L300 HydrophobicContact CB-CD2 4.09Å; I45-L300 HydrophobicContact CD1-CB 4.07Å; I45-L300 HydrophobicContact CG2-CB 3.88Å; I45-L300 HydrophobicContact CG2-CD2 3.85Å; L46-L300 HydrophobicContact CD2-CD2 3.68Å; L46-L300 HydrophobicContact CG-CD2 4.09Å; F81-L300 HydrophobicContact CE2-CD2 4.31Å; F81-L300 HydrophobicContact CZ-CD2 4.07Å; S283-L300 CarbonylContact C-O 3.47Å; S283-L300 WeakPolarHBondContact CA-O 3.45Å; S283-L300 VanDerWaalsContact CB-O 3.31Å; S283-L300 WeakPolarHBondContact CB-O 3.42Å; V284-L300 PolarHBondContact N-O 3.27Å; N295-L300 WeakPolarHBondContact OD1-CA 3.38Å; L300-W302 HydrophobicContact CD2-CZ3 4.38Å; L300-W302 HydrophobicContact CG-CZ3 4.21Å; L300-F360 HydrophobicContact CD1-CE2 4.06Å; L300-V390 HydrophobicContact CD1-CG1 3.76Å; L300-V390 HydrophobicContact CD1-CG2 4.07Å; L300-F392 HydrophobicContact CB-CE2 4.31Å; L300-F392 HydrophobicContact CD1-CD2 4.29Å
301	G	95.4	Very high	87.4	Confident	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	154.2	177.5	0	0	0	0	0	116.9	V284 N295 I299	V284-G301 CarbonylContact O-C 3.47Å; V284-G301 WeakPolarHBondContact O-CA 3.27Å; N295-G301 PolarHBondContact ND2-O 3.47Å; N295-G301 PolarHBondContact OD1-N 3.39Å; N295-G301 PolarHBondContact OD1-O 2.8Å; I299-G301 PolarHBondContact O-N 3.18Å
302	W	92.7	Very high	87.7	Confident	18 Å²	18	8.3 Å²	8.3	7%	0.068	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	171.6	-178.3	67.6	93.2	0	0	0	112.8	F81 V284 V285 G286 T292 L300 V318 L320 V390	F81-W302 HydrophobicContact CB-CH2 4.47Å; F81-W302 AromaticContact CD1-CH2 3.22Å; F81-W302 HydrophobicContact CD1-CH2 3.22Å; F81-W302 HydrophobicContact CD1-CZ2 4.01Å; F81-W302 AromaticContact CD1-CZ3 3.84Å; F81-W302 HydrophobicContact CD1-CZ3 3.84Å; F81-W302 AromaticContact CE1-CH2 3.51Å; F81-W302 HydrophobicContact CE1-CH2 3.51Å; F81-W302 HydrophobicContact CE1-CZ2 4.48Å; F81-W302 AromaticContact CE1-CZ3 3.59Å; F81-W302 HydrophobicContact CE1-CZ3 3.59Å; F81-W302 HydrophobicContact CG-CH2 4Å; F81-W302 HydrophobicContact CZ-CH2 4.5Å; F81-W302 HydrophobicContact CZ-CZ3 4.36Å; V284-W302 PolarHBondContact O-N 3.36Å; V285-W302 WeakPolarHBondContact CA-O 3.34Å; V285-W302 HydrophobicContact CG1-CD2 4.46Å; V285-W302 HydrophobicContact CG1-CZ2 4.35Å; G286-W302 PolarHBondContact N-O 3.4Å; G286-W302 VanDerWaalsContact N-O 3.09Å; T292-W302 HydrophobicContact CG2-CB 4.1Å; L300-W302 HydrophobicContact CD2-CZ3 4.38Å; L300-W302 HydrophobicContact CG-CZ3 4.21Å; W302-V318 HydrophobicContact CZ2-CG1 4.13Å; W302-L320 HydrophobicContact CH2-CD2 4.18Å; W302-V390 HydrophobicContact CB-CG2 4.15Å; W302-V390 HydrophobicContact CD2-CG2 4.44Å; W302-V390 HydrophobicContact CE3-CG2 3.91Å
303	G	83.7	Confident	87.9	Confident	30 Å²	30	8.1 Å²	8.1	31%	0.309	5%	0.049	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.1	178.7	0	0	0	0	0	113.6	G286 D288	G286-G303 CarbonylContact O-C 3.59Å; G286-G303 VanDerWaalsContact O-CA 3.28Å; G286-G303 WeakPolarHBondContact O-CA 3.43Å; D288-G303 WeakPolarHBondContact O-CA 3.4Å
304	V	83.3	Confident	88	Confident	10 Å²	10	7.2 Å²	7.2	6%	0.061	5%	0.045	C	C	.	.			trans	-125.9	174.2	178	-62.7	0	0	0	0	111.4	V285 G286 E308	V285-V304 HydrophobicContact CB-CB 4.41Å; V285-V304 HydrophobicContact CB-CG1 3.8Å; V285-V304 HydrophobicContact CB-CG2 3.71Å; V285-V304 HydrophobicContact CG1-CG1 4.03Å; V285-V304 HydrophobicContact CG2-CG2 3.85Å; G286-V304 PolarHBondContact O-N 3.04Å; V304-E308 HydrophobicContact CB-CB 4.14Å; V304-E308 WeakPolarHBondContact CB-OE2 3.25Å; V304-E308 HydrophobicContact CG2-CB 4.44Å
305	G	73.4	Confident	87.7	Confident	0 Å²	0	8.7 Å²	8.7	0%	0	6%	0.061	C	C	.	.			trans	-75	157.7	175.1	0	0	0	0	0	115.8	I307 E308 S309 S862	G305-I307 VanDerWaalsContact C-N 3.28Å; G305-I307 PolarHBondContact O-N 3.4Å; G305-E308 PolarHBondContact N-OE2 3.29Å; G305-E308 CarbonylContact O-C 3.55Å; G305-E308 PolarHBondContact O-N 2.83Å; G305-S309 PolarHBondContact O-N 3.14Å; G305-S309 PolarHBondContact O-OG 3.33Å; G305-S862 VanDerWaalsContact CA-CB 3.42Å; G305-S862 WeakPolarHBondContact CA-OG 3.39Å; G305-S862 PolarHBondContact N-OG 2.78Å
306	G	77.8	Confident	87.2	Confident	2 Å²	2	10.6 Å²	10.6	2%	0.021	7%	0.07	C	C	.	.	H	α-helix	trans	-57	-40.1	170.6	0	0	0	0	0	113	S309 E310	G306-S309 WeakPolarHBondContact CA-OG 3.42Å; G306-S309 PolarHBondContact O-OG 2.91Å; G306-E310 WeakPolarHBondContact O-CB 3.39Å; G306-E310 PolarHBondContact O-N 3.17Å
307	I	75.9	Confident	87	Confident	11 Å²	11	11.2 Å²	11.2	6%	0.056	7%	0.074	C	C	.	.	H	α-helix	trans	-68.6	-34.4	174.3	-71.3	164.4	0	0	0	111.7	G305 A311 D864 A867 Q890 M894	G305-I307 VanDerWaalsContact C-N 3.28Å; G305-I307 PolarHBondContact O-N 3.4Å; I307-A311 WeakPolarHBondContact O-CB 3.18Å; I307-A311 PolarHBondContact O-N 3.42Å; I307-D864 WeakPolarHBondContact CD1-O 3.36Å; I307-D864 HydrophobicContact CG1-CB 4.25Å; I307-A867 HydrophobicContact CD1-CB 3.96Å; I307-Q890 HydrophobicContact CB-CG 4.34Å; I307-Q890 HydrophobicContact CD1-CB 3.98Å; I307-Q890 HydrophobicContact CD1-CG 4.14Å; I307-M894 HydrophobicContact CD1-CG 4.27Å
308	E	79.5	Confident	86.8	Confident	42 Å²	42	11.8 Å²	11.8	20%	0.196	8%	0.077	C	C	.	.	H	α-helix	trans	-75.6	-40.7	179	-65.4	176.3	140.2	0	0	111.5	V304 G305 E310 A311 V312 L886	V304-E308 HydrophobicContact CB-CB 4.14Å; V304-E308 WeakPolarHBondContact CB-OE2 3.25Å; V304-E308 HydrophobicContact CG2-CB 4.44Å; G305-E308 PolarHBondContact N-OE2 3.29Å; G305-E308 CarbonylContact O-C 3.55Å; G305-E308 PolarHBondContact O-N 2.83Å; E308-E310 VanDerWaalsContact C-N 3.29Å; E308-E310 PolarHBondContact O-N 2.86Å; E308-A311 WeakPolarHBondContact O-CB 3.31Å; E308-A311 PolarHBondContact O-N 2.82Å; E308-V312 VanDerWaalsContact O-CG2 3.31Å; E308-V312 WeakPolarHBondContact O-CG2 3.37Å; E308-V312 PolarHBondContact O-N 2.92Å; E308-L886 HydrophobicContact CG-CD1 4.17Å; E308-L886 WeakPolarHBondContact OE1-CD1 3.44Å; E308-L886 WeakPolarHBondContact OE2-CD1 3.42Å
309	S	86.4	Confident	86.2	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.5	-39.4	172	61.9	0	0	0	0	111.2	T287 G305 G306 A311 V312 M313	T287-S309 WeakPolarHBondContact CG2-OG 3.35Å; G305-S309 PolarHBondContact O-N 3.14Å; G305-S309 PolarHBondContact O-OG 3.33Å; G306-S309 WeakPolarHBondContact CA-OG 3.42Å; G306-S309 PolarHBondContact O-OG 2.91Å; S309-A311 VanDerWaalsContact C-N 3.35Å; S309-V312 PolarHBondContact O-N 3.49Å; S309-M313 WeakPolarHBondContact O-CB 3.26Å; S309-M313 WeakPolarHBondContact O-CG 3.39Å; S309-M313 PolarHBondContact O-N 3.49Å
310	E	85.4	Confident	85.8	Confident	2 Å²	2	16.1 Å²	16.1	1%	0.009	11%	0.105	C	C	.	.	H	α-helix	trans	-64	-39.2	173.8	-176.7	-179.5	-176.5	0	0	111.4	A96 D99 G306 E308 M313 L314 K868 L963	A96-E310 HydrophobicContact CB-CB 4.33Å; D99-E310 WeakPolarHBondContact CB-OE1 3.29Å; G306-E310 WeakPolarHBondContact O-CB 3.39Å; G306-E310 PolarHBondContact O-N 3.17Å; E308-E310 VanDerWaalsContact C-N 3.29Å; E308-E310 PolarHBondContact O-N 2.86Å; E310-M313 PolarHBondContact O-N 3.11Å; E310-L314 VanDerWaalsContact O-CG 3.29Å; E310-L314 WeakPolarHBondContact O-CG 3.28Å; E310-L314 PolarHBondContact O-N 2.81Å; E310-K868 IonicContact OE1-NZ 3.35Å; E310-K868 IonicContact OE2-NZ 3.31Å; E310-K868 PolarHBondContact OE2-NZ 3.12Å; E310-L963 HydrophobicContact CG-CD2 4.03Å; E310-L963 WeakPolarHBondContact OE1-CD1 3.17Å; E310-L963 WeakPolarHBondContact OE1-CD2 3.44Å
311	A	83.3	Confident	85.3	Confident	6 Å²	6	18.5 Å²	18.5	5%	0.05	12%	0.12	C	C	.	.	H	α-helix	trans	-61.9	-46.1	172.7	0	0	0	0	0	112.5	I307 E308 S309 L314 G315 Q316 L962	I307-A311 WeakPolarHBondContact O-CB 3.18Å; I307-A311 PolarHBondContact O-N 3.42Å; E308-A311 WeakPolarHBondContact O-CB 3.31Å; E308-A311 PolarHBondContact O-N 2.82Å; S309-A311 VanDerWaalsContact C-N 3.35Å; A311-L314 CarbonylContact O-C 3.55Å; A311-L314 WeakPolarHBondContact O-CA 3.42Å; A311-L314 PolarHBondContact O-N 2.9Å; A311-L314 VanDerWaalsContact O-N 3.08Å; A311-G315 PolarHBondContact O-N 2.74Å; A311-G315 VanDerWaalsContact O-N 3.14Å; A311-Q316 HydrophobicContact CB-CB 4.13Å; A311-Q316 WeakPolarHBondContact O-CB 3.3Å; A311-Q316 PolarHBondContact O-N 3.14Å; A311-L962 HydrophobicContact CB-CD2 3.33Å
312	V	90.1	Very high	85.2	Confident	8 Å²	8	18.5 Å²	18.5	5%	0.048	12%	0.12	C	C	.	.	H	α-helix	trans	-64.3	-43.2	176.8	172.8	0	0	0	0	111.6	P83 V86 V285 E308 S309 L314 G315 Q316 V318	P83-V312 HydrophobicContact CG-CG1 3.49Å; P83-V312 VanDerWaalsContact CG-CG1 3.49Å; P83-V312 HydrophobicContact CG-CG2 4.41Å; V86-V312 HydrophobicContact CG2-CB 3.95Å; V86-V312 HydrophobicContact CG2-CG1 3.37Å; V285-V312 HydrophobicContact CG2-CB 4.47Å; V285-V312 HydrophobicContact CG2-CG1 4.23Å; V285-V312 HydrophobicContact CG2-CG2 4.23Å; E308-V312 VanDerWaalsContact O-CG2 3.31Å; E308-V312 WeakPolarHBondContact O-CG2 3.37Å; E308-V312 PolarHBondContact O-N 2.92Å; S309-V312 PolarHBondContact O-N 3.49Å; V312-L314 PolarHBondContact O-N 2.99Å; V312-G315 PolarHBondContact O-N 3.42Å; V312-Q316 VanDerWaalsContact CA-O 3.27Å; V312-Q316 WeakPolarHBondContact CA-O 3.2Å; V312-Q316 WeakPolarHBondContact CG2-O 3.12Å; V312-V318 HydrophobicContact CG2-CG2 3.42Å; V312-V318 VanDerWaalsContact CG2-CG2 3.42Å
313	M	91.3	Very high	85.2	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-56.1	-35	171.8	-72.4	162	61.8	0	0	111.3	V86 L88 M97 L100 P119 K120 T123 S309 E310 G315	V86-M313 HydrophobicContact CB-CG 4.14Å; V86-M313 HydrophobicContact CG1-CG 4.05Å; V86-M313 HydrophobicContact CG1-SD 4.16Å; V86-M313 HydrophobicContact CG2-CG 4.1Å; L88-M313 HydrophobicContact CD1-CE 4.26Å; L88-M313 HydrophobicContact CD1-SD 3.9Å; L88-M313 HydrophobicContact CD2-SD 4.44Å; M97-M313 HydrophobicContact SD-CE 3.74Å; L100-M313 HydrophobicContact CD1-CE 3.69Å; P119-M313 CarbonylContact C-O 3.57Å; P119-M313 WeakPolarHBondContact CA-O 3.46Å; P119-M313 HydrophobicContact CB-CB 4.22Å; P119-M313 HydrophobicContact CG-CE 4.03Å; K120-M313 PolarHBondContact N-O 2.61Å; T123-M313 HydrophobicContact CG2-CE 3.98Å; T123-M313 HydrophobicContact CG2-CG 4.13Å; T123-M313 HydrophobicContact CG2-SD 3.91Å; S309-M313 WeakPolarHBondContact O-CB 3.26Å; S309-M313 WeakPolarHBondContact O-CG 3.39Å; S309-M313 PolarHBondContact O-N 3.49Å; E310-M313 PolarHBondContact O-N 3.11Å; M313-G315 VanDerWaalsContact C-N 3.31Å
314	L	85.6	Confident	85.8	Confident	18 Å²	18	18.1 Å²	18.1	9%	0.094	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	2.7	177.2	-65.9	174.7	0	0	0	114.3	L100 M103 E310 A311 V312 L963 V966	L100-L314 HydrophobicContact CD2-CD1 4.44Å; L100-L314 HydrophobicContact CD2-CD2 3.49Å; L100-L314 VanDerWaalsContact CD2-CD2 3.49Å; L100-L314 HydrophobicContact CD2-CG 4.2Å; M103-L314 HydrophobicContact CE-CD1 3.86Å; E310-L314 VanDerWaalsContact O-CG 3.29Å; E310-L314 WeakPolarHBondContact O-CG 3.28Å; E310-L314 PolarHBondContact O-N 2.81Å; A311-L314 CarbonylContact O-C 3.55Å; A311-L314 WeakPolarHBondContact O-CA 3.42Å; A311-L314 PolarHBondContact O-N 2.9Å; A311-L314 VanDerWaalsContact O-N 3.08Å; V312-L314 PolarHBondContact O-N 2.99Å; L314-L963 HydrophobicContact CD1-CD2 3.91Å; L314-V966 HydrophobicContact CB-CG1 4.33Å; L314-V966 HydrophobicContact CB-CG2 4.1Å; L314-V966 HydrophobicContact CD1-CB 4.27Å; L314-V966 HydrophobicContact CD1-CG1 4.16Å; L314-V966 HydrophobicContact CD1-CG2 4.06Å; L314-V966 HydrophobicContact CD2-CG1 3.95Å; L314-V966 HydrophobicContact CG-CG1 4.36Å
315	G	84.3	Confident	86.5	Confident	32 Å²	32	17.7 Å²	17.7	33%	0.33	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	7.2	174.4	0	0	0	0	0	115.7	A311 V312 M313	A311-G315 PolarHBondContact O-N 2.74Å; A311-G315 VanDerWaalsContact O-N 3.14Å; V312-G315 PolarHBondContact O-N 3.42Å; M313-G315 VanDerWaalsContact C-N 3.31Å
316	Q	85.5	Confident	87.6	Confident	40 Å²	40	17.7 Å²	17.7	19%	0.187	11%	0.109	C	C	.	.	P	Polyproline II helix	trans	-83.9	131.6	173.5	-173.8	-164.7	-34	0	0	110.4	Y58 A311 V312 F956 L962	Y58-Q316 HydrophobicContact CD1-CG 4.38Å; Y58-Q316 HydrophobicContact CE1-CB 4.37Å; Y58-Q316 HydrophobicContact CE1-CG 3.94Å; A311-Q316 HydrophobicContact CB-CB 4.13Å; A311-Q316 WeakPolarHBondContact O-CB 3.3Å; A311-Q316 PolarHBondContact O-N 3.14Å; V312-Q316 VanDerWaalsContact CA-O 3.27Å; V312-Q316 WeakPolarHBondContact CA-O 3.2Å; V312-Q316 WeakPolarHBondContact CG2-O 3.12Å; Q316-F956 HydrophobicContact CG-CZ 4.23Å; Q316-F956 VanDerWaalsContact OE1-CZ 3.3Å; Q316-L962 VanDerWaalsContact OE1-CD1 3.32Å; Q316-L962 VanDerWaalsContact OE1-CD2 3.3Å
317	P	89.4	Confident	88.5	Confident	12 Å²	12	17.6 Å²	17.6	8%	0.078	11%	0.108	C	C	.	.	P	Polyproline II helix	trans	-67.5	155.5	173.9	28.8	-35.9	0	0	0	112.9	Y58 P80 F81	Y58-P317 HydrophobicContact CD1-CG 4.41Å; Y58-P317 HydrophobicContact CG-CG 4.36Å; P80-P317 HydrophobicContact CB-CB 3.57Å; P80-P317 HydrophobicContact CB-CG 3.52Å; F81-P317 CarbonylContact O-C 3.46Å; F81-P317 WeakPolarHBondContact O-CA 3.5Å; F81-P317 WeakPolarHBondContact O-CB 3.29Å
318	V	88.1	Confident	89.5	Confident	13 Å²	13	17.1 Å²	17.1	8%	0.079	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	132.6	167.8	-176.9	0	0	0	0	109.3	P80 F81 V285 W302 V312 L320	P80-V318 CarbonylContact C-O 3.51Å; P80-V318 WeakPolarHBondContact CA-O 3.33Å; F81-V318 PolarHBondContact N-O 2.77Å; F81-V318 PolarHBondContact O-N 3.31Å; V285-V318 HydrophobicContact CG1-CG2 4.21Å; V285-V318 HydrophobicContact CG2-CG2 4.47Å; W302-V318 HydrophobicContact CZ2-CG1 4.13Å; V312-V318 HydrophobicContact CG2-CG2 3.42Å; V312-V318 VanDerWaalsContact CG2-CG2 3.42Å; V318-L320 PolarHBondContact O-N 3.08Å
319	S	84.6	Confident	90.3	Very high	75 Å²	75	18 Å²	18	52%	0.524	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	109.9	173.8	-177.6	0	0	0	0	111.1
320	L	87.6	Confident	90.7	Very high	19 Å²	19	18 Å²	18	10%	0.099	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.3	179.6	-178	60.3	0	0	0	109.5	L46 A78 V79 W302 V318 F360	L46-L320 HydrophobicContact CD1-CD2 3.78Å; L46-L320 HydrophobicContact CD2-CD2 4.02Å; A78-L320 CarbonylContact C-O 3.5Å; A78-L320 WeakPolarHBondContact CA-O 3.45Å; V79-L320 PolarHBondContact N-O 3.43Å; V79-L320 PolarHBondContact O-N 2.85Å; W302-L320 HydrophobicContact CH2-CD2 4.18Å; V318-L320 PolarHBondContact O-N 3.08Å; L320-F360 HydrophobicContact CD2-CZ 4.21Å
321	T	87.6	Confident	91.1	Very high	51 Å²	51	18.9 Å²	18.9	31%	0.313	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	128.4	162.4	-61.1	0	0	0	0	106.3	A77 P323 K885	A77-T321 WeakPolarHBondContact O-CA 3.32Å; T321-P323 WeakPolarHBondContact O-CD 3.31Å; T321-K885 PolarHBondContact OG1-NZ 3.2Å
322	L	93.5	Very high	91.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.13	C	C	.	.			trans	-52.1	115.1	-176.8	-82.2	-179.4	0	0	0	109.9	N66 I67 Q73 E75 A77 V79	N66-L322 VanDerWaalsContact O-CD1 3.3Å; N66-L322 WeakPolarHBondContact O-CD1 3.35Å; I67-L322 HydrophobicContact CG1-CD2 4.12Å; Q73-L322 HydrophobicContact CB-CD1 3.71Å; E75-L322 PolarHBondContact N-O 2.99Å; A77-L322 HydrophobicContact CB-CD1 4.07Å; A77-L322 PolarHBondContact O-N 2.94Å; V79-L322 HydrophobicContact CG1-CD1 4.13Å; V79-L322 HydrophobicContact CG1-CD2 4.29Å; V79-L322 HydrophobicContact CG1-CG 3.92Å; V79-L322 HydrophobicContact CG2-CD2 3.58Å; V79-L322 HydrophobicContact CG2-CG 3.87Å
323	P	92.5	Very high	91.6	Very high	10 Å²	10	23.3 Å²	23.3	7%	0.065	15%	0.151	C	C	.	.			trans	-77.8	149.2	-171.8	31.7	-35.3	0	0	0	110	I43 W70 T321 F360	I43-P323 HydrophobicContact CD1-CG 4.22Å; W70-P323 PolarHBondContact NE1-O 3.19Å; T321-P323 WeakPolarHBondContact O-CD 3.31Å; P323-F360 HydrophobicContact CB-CB 4.41Å; P323-F360 HydrophobicContact CB-CD1 3.61Å; P323-F360 HydrophobicContact CB-CE1 4.02Å; P323-F360 HydrophobicContact CB-CG 3.95Å; P323-F360 HydrophobicContact CG-CB 4.37Å; P323-F360 HydrophobicContact CG-CD1 3.54Å; P323-F360 HydrophobicContact CG-CD2 3.76Å; P323-F360 HydrophobicContact CG-CE1 3.66Å; P323-F360 HydrophobicContact CG-CE2 3.87Å; P323-F360 HydrophobicContact CG-CG 3.61Å; P323-F360 HydrophobicContact CG-CZ 3.83Å
324	Q	96.3	Very high	91.3	Very high	30 Å²	30	24.1 Å²	24.1	14%	0.14	16%	0.155	C	C	.	.			trans	-62.5	146.2	155.8	-61.6	-164.7	-11.5	0	0	109.2	E75 K359 F360 S439	E75-Q324 HydrophobicContact CG-CG 3.64Å; E75-Q324 PolarHBondContact OE1-NE2 2.89Å; E75-Q324 PolarHBondContact OE2-NE2 2.86Å; Q324-K359 HydrophobicContact CB-CD 4.03Å; Q324-K359 HydrophobicContact CB-CG 4.18Å; Q324-F360 PolarHBondContact O-N 2.69Å; Q324-S439 WeakPolarHBondContact CA-OG 3.27Å
325	V	97.8	Very high	91.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	114.7	177	-171.6	0	0	0	0	108.7	P40 I43 W70 F360 E362 F438 S439	P40-V325 HydrophobicContact CB-CB 4.19Å; P40-V325 HydrophobicContact CB-CG1 3.84Å; P40-V325 HydrophobicContact CB-CG2 4.16Å; P40-V325 HydrophobicContact CG-CB 3.88Å; P40-V325 HydrophobicContact CG-CG1 4.04Å; P40-V325 HydrophobicContact CG-CG2 3.98Å; I43-V325 HydrophobicContact CD1-CG2 3.78Å; I43-V325 HydrophobicContact CG1-CG2 3.76Å; W70-V325 HydrophobicContact CH2-CB 4.36Å; W70-V325 HydrophobicContact CH2-CG2 4.48Å; W70-V325 HydrophobicContact CZ2-CB 3.83Å; W70-V325 HydrophobicContact CZ2-CG2 3.62Å; V325-F360 HydrophobicContact CB-CB 4.43Å; V325-F360 HydrophobicContact CG1-CB 4.25Å; V325-F360 HydrophobicContact CG2-CB 4.06Å; V325-E362 HydrophobicContact CG1-CB 3.77Å; V325-F438 HydrophobicContact CG1-CD1 3.97Å; V325-F438 HydrophobicContact CG1-CE1 4.37Å; V325-S439 PolarHBondContact N-OG 3.28Å; V325-S439 WeakPolarHBondContact O-CB 3.46Å; V325-S439 PolarHBondContact O-N 3.03Å; V325-S439 PolarHBondContact O-OG 3.2Å
326	M	96.9	Very high	91	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113.6	176.7	-57.9	-62	-62.9	0	0	109.2	C328 I356 K359 F360 V361 E362 E440 I442	M326-C328 PolarHBondContact O-N 2.89Å; M326-I356 HydrophobicContact CE-CG2 4.21Å; M326-I356 HydrophobicContact CG-CB 4.4Å; M326-I356 HydrophobicContact CG-CG2 3.93Å; M326-K359 HydrophobicContact CG-CB 3.98Å; M326-K359 HydrophobicContact CG-CD 3.56Å; M326-K359 HydrophobicContact CG-CG 4.42Å; M326-K359 HydrophobicContact SD-CD 3.37Å; M326-K359 WeakPolarHBondContact SD-CD 3.27Å; M326-K359 PolarHBondContact SD-NZ 3.37Å; M326-K359 VanDerWaalsContact SD-NZ 3.41Å; M326-F360 PolarHBondContact N-O 3.32Å; M326-V361 HydrophobicContact CB-CG2 4.45Å; M326-V361 WeakPolarHBondContact O-CA 3.46Å; M326-E362 PolarHBondContact O-N 3.13Å; M326-E440 HydrophobicContact CE-CB 3.54Å; M326-E440 HydrophobicContact CE-CG 4.27Å; M326-E440 HydrophobicContact SD-CB 3.83Å; M326-E440 HydrophobicContact SD-CG 4.31Å; M326-I442 HydrophobicContact CE-CD1 3.78Å; M326-I442 HydrophobicContact CE-CG1 4.04Å
327	G	97.3	Very high	90.7	Very high	0 Å²	0	29 Å²	29	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	111.3	173.4	0	0	0	0	0	110.3	K329 E362 F438 E440 V441 I442	G327-K329 PolarHBondContact O-N 3.48Å; G327-E362 CarbonylContact C-O 3.39Å; G327-E362 WeakPolarHBondContact CA-O 3.37Å; G327-F438 VanDerWaalsContact CA-CG 3.42Å; G327-E440 PolarHBondContact N-O 3.32Å; G327-V441 CarbonylContact O-C 3Å; G327-V441 WeakPolarHBondContact O-CA 3.49Å; G327-I442 PolarHBondContact O-N 3.48Å
328	C	96.6	Very high	90.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	95.4	174.5	-174.3	0	0	0	0	109.8	M326 L330 V361 E362 F363 F364 I442 I444	M326-C328 PolarHBondContact O-N 2.89Å; C328-L330 PolarHBondContact O-N 3.39Å; C328-V361 HydrophobicContact CB-CG1 3.75Å; C328-E362 PolarHBondContact N-O 2.63Å; C328-F363 HydrophobicContact CB-CD1 3.8Å; C328-F363 HydrophobicContact CB-CE1 3.85Å; C328-F363 HydrophobicContact CB-CG 4.21Å; C328-F363 HydrophobicContact CB-CZ 4.28Å; C328-F363 WeakPolarHBondContact O-CA 3.48Å; C328-F363 WeakPolarHBondContact SG-CE1 3.43Å; C328-F364 PolarHBondContact O-N 2.87Å; C328-I442 CarbonylContact C-O 3.54Å; C328-I444 VanDerWaalsContact SG-CD1 3.59Å
329	K	96.2	Very high	90.1	Very high	61 Å²	61	28.2 Å²	28.2	27%	0.265	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	112.6	-178.1	-164.5	-179.8	167.4	-152.2	0	110.6	G327 V331 F364 V441 I442 E443 I444	G327-K329 PolarHBondContact O-N 3.48Å; K329-V331 HydrophobicContact CD-CG1 4.28Å; K329-V331 HydrophobicContact CG-CG1 4.05Å; K329-F364 CarbonylContact C-O 3.56Å; K329-F364 WeakPolarHBondContact CA-O 3.47Å; K329-F364 HydrophobicContact CB-CD1 4.1Å; K329-F364 HydrophobicContact CB-CE1 3.51Å; K329-F364 HydrophobicContact CB-CE2 4.12Å; K329-F364 HydrophobicContact CB-CZ 3.54Å; K329-F364 HydrophobicContact CD-CE2 3.9Å; K329-F364 HydrophobicContact CD-CZ 3.85Å; K329-F364 HydrophobicContact CG-CD2 4.22Å; K329-F364 HydrophobicContact CG-CE1 4.1Å; K329-F364 HydrophobicContact CG-CE2 3.77Å; K329-F364 HydrophobicContact CG-CZ 3.71Å; K329-V441 HydrophobicContact CB-CG1 4.08Å; K329-I442 PolarHBondContact N-O 2.93Å; K329-E443 HydrophobicContact CB-CG 4.36Å; K329-E443 HydrophobicContact CD-CG 4.43Å; K329-E443 WeakPolarHBondContact CD-OE2 3.47Å; K329-E443 WeakPolarHBondContact CE-OE2 3.29Å; K329-E443 IonicContact NZ-OE2 3.5Å; K329-E443 PolarHBondContact NZ-OE2 3.05Å; K329-E443 WeakPolarHBondContact O-CA 3.36Å; K329-I444 PolarHBondContact O-N 3.33Å
330	L	95.3	Very high	89.6	Confident	0 Å²	0	25 Å²	25	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	126.7	174.7	-55	-170.4	0	0	0	109.9	C328 I347 F363 F364 G365 G367 V368 L371 I444 L446	C328-L330 PolarHBondContact O-N 3.39Å; L330-I347 HydrophobicContact CD1-CD1 4.37Å; L330-I347 HydrophobicContact CD2-CD1 4.23Å; L330-F363 HydrophobicContact CD1-CD1 4.04Å; L330-F363 HydrophobicContact CD2-CD1 4.2Å; L330-F363 HydrophobicContact CD2-CE1 4.36Å; L330-F363 HydrophobicContact CG-CD1 4.12Å; L330-F364 PolarHBondContact N-O 3.06Å; L330-G365 CarbonylContact O-C 3.57Å; L330-G367 WeakPolarHBondContact O-CA 3.45Å; L330-G367 PolarHBondContact O-N 3.29Å; L330-V368 HydrophobicContact CB-CG2 4.19Å; L330-V368 HydrophobicContact CD1-CG2 3.94Å; L330-V368 HydrophobicContact CG-CG2 4.08Å; L330-L371 HydrophobicContact CD1-CD1 3.45Å; L330-L371 VanDerWaalsContact CD1-CD1 3.45Å; L330-L371 HydrophobicContact CD1-CG 4.4Å; L330-I444 HydrophobicContact CD2-CB 3.96Å; L330-I444 HydrophobicContact CD2-CG2 4.44Å; L330-L446 HydrophobicContact CB-CD1 4.33Å; L330-L446 HydrophobicContact CB-CG 4.49Å
331	V	94.2	Very high	89	Confident	20 Å²	20	24.9 Å²	24.9	12%	0.121	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	167.9	-178.9	-58.3	0	0	0	0	111.4	K329 E443 I444 N445 L446	K329-V331 HydrophobicContact CD-CG1 4.28Å; K329-V331 HydrophobicContact CG-CG1 4.05Å; V331-E443 HydrophobicContact CB-CG 4.5Å; V331-E443 HydrophobicContact CG1-CG 3.95Å; V331-E443 HydrophobicContact CG2-CG 3.7Å; V331-I444 PolarHBondContact N-O 3.34Å; V331-N445 HydrophobicContact CG2-CB 4.04Å; V331-N445 CarbonylContact O-C 3.57Å; V331-N445 WeakPolarHBondContact O-CA 3.31Å; V331-L446 PolarHBondContact O-N 2.81Å
332	G	92.4	Very high	88.7	Confident	36 Å²	36	23.5 Å²	23.5	37%	0.371	14%	0.143	S	C	.	.	S	Bend	trans	73.9	-173.2	-177.1	0	0	0	0	0	113	Q370	G332-Q370 PolarHBondContact O-NE2 3.47Å
333	S	90.2	Very high	88.2	Confident	72 Å²	72	23.6 Å²	23.6	50%	0.503	14%	0.144	S	C	.	.			trans	-110.5	143.6	177.7	53.7	0	0	0	0	111.8	N335 L446 S447	S333-N335 PolarHBondContact O-N 3.34Å; S333-L446 CarbonylContact O-C 3.55Å; S333-S447 PolarHBondContact N-OG 2.78Å; S333-S447 WeakPolarHBondContact O-CA 3.44Å; S333-S447 WeakPolarHBondContact O-CB 3.3Å; S333-S447 PolarHBondContact O-N 3Å; S333-S447 VanDerWaalsContact O-N 3.1Å; S333-S447 PolarHBondContact O-OG 2.95Å
334	I	86.8	Confident	87.4	Confident	16 Å²	16	23.1 Å²	23.1	8%	0.082	14%	0.14	C	C	.	.			trans	-62.4	133.4	173.2	-62.7	168	0	0	0	109.4	A338 I343 Q370 L371 L446	I334-A338 HydrophobicContact CG2-CB 4.14Å; I334-I343 HydrophobicContact CD1-CD1 3.75Å; I334-I343 HydrophobicContact CG1-CD1 4.05Å; I334-I343 HydrophobicContact CG2-CD1 3.76Å; I334-I343 HydrophobicContact CG2-CG1 4.41Å; I334-Q370 HydrophobicContact CD1-CB 3.68Å; I334-Q370 HydrophobicContact CG1-CB 4.37Å; I334-L371 HydrophobicContact CD1-CD2 4Å; I334-L446 HydrophobicContact CD1-CD1 4.49Å; I334-L446 HydrophobicContact CG1-CB 4.13Å; I334-L446 HydrophobicContact CG1-CD1 3.89Å; I334-L446 HydrophobicContact CG1-CG 4.47Å
335	N	83	Confident	86.5	Confident	48 Å²	48	24.4 Å²	24.4	26%	0.257	15%	0.148	S	C	.	.			trans	-62.4	133.5	173.7	-179.3	-53.1	0	0	0	110	S333 L337 A338	S333-N335 PolarHBondContact O-N 3.34Å; N335-L337 PolarHBondContact O-N 2.79Å; N335-L337 VanDerWaalsContact O-N 3.08Å; N335-L337 PolarHBondContact OD1-N 2.91Å; N335-A338 HydrophobicContact CB-CB 3.99Å; N335-A338 VanDerWaalsContact O-CB 3.3Å; N335-A338 WeakPolarHBondContact O-CB 3.02Å; N335-A338 PolarHBondContact O-N 3.1Å
336	P	79.8	Confident	85.7	Confident	102 Å²	102	24.6 Å²	24.6	66%	0.662	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-28.3	-177.4	-28.4	35.9	0	0	0	115.5	W673	P336-W673 PolarHBondContact O-NE1 2.86Å; P336-W673 VanDerWaalsContact O-NE1 3.14Å
337	L	79.5	Confident	85.1	Confident	44 Å²	44	24.6 Å²	24.6	23%	0.23	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88	-10.1	176.7	-59.8	178.7	0	0	0	113.1	N335 T339 P451 W673	N335-L337 PolarHBondContact O-N 2.79Å; N335-L337 VanDerWaalsContact O-N 3.08Å; N335-L337 PolarHBondContact OD1-N 2.91Å; L337-T339 PolarHBondContact O-N 3.09Å; L337-P451 VanDerWaalsContact C-CG 3.47Å; L337-P451 HydrophobicContact CB-CG 3.78Å; L337-P451 WeakPolarHBondContact O-CG 3.33Å; L337-W673 HydrophobicContact CD2-CB 4.28Å; L337-W673 HydrophobicContact CD2-CD2 3.73Å; L337-W673 HydrophobicContact CD2-CE3 4.29Å; L337-W673 HydrophobicContact CD2-CG 3.73Å; L337-W673 VanDerWaalsContact O-CZ2 3.23Å; L337-W673 WeakPolarHBondContact O-CZ2 3.45Å
338	A	84.3	Confident	84	Confident	3 Å²	3	25.2 Å²	25.2	3%	0.025	15%	0.154	C	C	.	.			trans	-75.3	120.7	178.8	0	0	0	0	0	111.5	I334 N335 D342 M449	I334-A338 HydrophobicContact CG2-CB 4.14Å; N335-A338 HydrophobicContact CB-CB 3.99Å; N335-A338 VanDerWaalsContact O-CB 3.3Å; N335-A338 WeakPolarHBondContact O-CB 3.02Å; N335-A338 PolarHBondContact O-N 3.1Å; A338-D342 HydrophobicContact CB-CB 4.38Å; A338-M449 WeakPolarHBondContact CB-O 3.09Å
339	T	79.6	Confident	83.2	Confident	5 Å²	5	30.2 Å²	30.2	3%	0.031	18%	0.176	C	C	.	.			trans	-84.2	164.3	176.6	67.4	0	0	0	0	110.7	L337 I341 D342 I343 P638 W673	L337-T339 PolarHBondContact O-N 3.09Å; T339-I341 PolarHBondContact O-N 2.83Å; T339-I341 VanDerWaalsContact O-N 3.13Å; T339-I341 VanDerWaalsContact OG1-CG2 3.24Å; T339-I341 WeakPolarHBondContact OG1-CG2 3.24Å; T339-D342 WeakPolarHBondContact CB-OD2 3.23Å; T339-D342 PolarHBondContact N-OD2 3.05Å; T339-D342 WeakPolarHBondContact O-CB 3.28Å; T339-D342 PolarHBondContact O-N 3.38Å; T339-D342 PolarHBondContact OG1-OD2 3.38Å; T339-I343 PolarHBondContact O-N 2.78Å; T339-P638 HydrophobicContact CG2-CG 3.83Å; T339-W673 HydrophobicContact CG2-CH2 4.37Å; T339-W673 HydrophobicContact CG2-CZ2 3.94Å
340	S	75.2	Confident	82.6	Confident	6 Å²	6	30.3 Å²	30.3	4%	0.042	18%	0.177	C	C	.	.	H	α-helix	trans	-50.7	-37.9	175.5	-58.1	0	0	0	0	113.1	I343 V344 D375	S340-I343 PolarHBondContact O-N 3.1Å; S340-V344 WeakPolarHBondContact O-CB 3.38Å; S340-V344 WeakPolarHBondContact O-CG2 3.3Å; S340-V344 PolarHBondContact O-N 3.17Å; S340-D375 WeakPolarHBondContact CB-OD1 3.31Å; S340-D375 PolarHBondContact OG-OD1 3.24Å
341	I	74.7	Confident	82	Confident	18 Å²	18	30.3 Å²	30.3	9%	0.092	18%	0.177	C	C	.	.	H	α-helix	trans	-71.9	-32	179	-169.9	67.6	0	0	0	113	T339 I343 V344 L345 N522 V528	T339-I341 PolarHBondContact O-N 2.83Å; T339-I341 VanDerWaalsContact O-N 3.13Å; T339-I341 VanDerWaalsContact OG1-CG2 3.24Å; T339-I341 WeakPolarHBondContact OG1-CG2 3.24Å; I341-I343 VanDerWaalsContact C-N 3.33Å; I341-I343 PolarHBondContact O-N 2.81Å; I341-V344 HydrophobicContact CD1-CG1 4.42Å; I341-V344 PolarHBondContact O-N 3.4Å; I341-L345 HydrophobicContact CD1-CD1 4.03Å; I341-L345 HydrophobicContact CD1-CD2 4.25Å; I341-L345 HydrophobicContact CD1-CG 3.78Å; I341-L345 HydrophobicContact CG1-CD1 3.72Å; I341-L345 HydrophobicContact CG1-CG 3.92Å; I341-L345 VanDerWaalsContact O-CB 3.31Å; I341-L345 WeakPolarHBondContact O-CB 3.43Å; I341-L345 VanDerWaalsContact O-CG 3.28Å; I341-L345 WeakPolarHBondContact O-CG 3.34Å; I341-L345 PolarHBondContact O-N 3.47Å; I341-N522 WeakPolarHBondContact CG1-OD1 3.3Å; I341-V528 HydrophobicContact CB-CG2 4.41Å; I341-V528 HydrophobicContact CG2-CG1 4.45Å; I341-V528 HydrophobicContact CG2-CG2 4.26Å
342	D	81.1	Confident	81	Confident	22 Å²	22	37.4 Å²	37.4	12%	0.118	20%	0.202	C	C	.	.	H	α-helix	trans	-63.1	-42.9	174.9	-62.7	-65	0	0	0	110.6	A338 T339 G346	A338-D342 HydrophobicContact CB-CB 4.38Å; T339-D342 WeakPolarHBondContact CB-OD2 3.23Å; T339-D342 PolarHBondContact N-OD2 3.05Å; T339-D342 WeakPolarHBondContact O-CB 3.28Å; T339-D342 PolarHBondContact O-N 3.38Å; T339-D342 PolarHBondContact OG1-OD2 3.38Å; D342-G346 WeakPolarHBondContact O-CA 3.33Å; D342-G346 PolarHBondContact O-N 3.33Å
343	I	82.6	Confident	80.5	Confident	1 Å²	1	42 Å²	42	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-65.5	-52.3	176.4	-57.6	164.7	0	0	0	110.6	I334 T339 S340 I341 L345 G346 I347 L371 L446	I334-I343 HydrophobicContact CD1-CD1 3.75Å; I334-I343 HydrophobicContact CG1-CD1 4.05Å; I334-I343 HydrophobicContact CG2-CD1 3.76Å; I334-I343 HydrophobicContact CG2-CG1 4.41Å; T339-I343 PolarHBondContact O-N 2.78Å; S340-I343 PolarHBondContact O-N 3.1Å; I341-I343 VanDerWaalsContact C-N 3.33Å; I341-I343 PolarHBondContact O-N 2.81Å; I343-L345 PolarHBondContact O-N 3.45Å; I343-G346 PolarHBondContact O-N 2.89Å; I343-I347 HydrophobicContact CG2-CD1 3.74Å; I343-I347 HydrophobicContact CG2-CG1 4.41Å; I343-I347 WeakPolarHBondContact O-CG1 3.22Å; I343-I347 PolarHBondContact O-N 3.43Å; I343-L371 HydrophobicContact CD1-CD2 4.32Å; I343-L371 HydrophobicContact CG2-CD2 4Å; I343-L446 HydrophobicContact CG2-CD2 4.24Å
344	V	76.4	Confident	80.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-56.5	-49.7	-179.5	166.3	0	0	0	0	111.3	S340 I341 G346 T348 T378 I379 M382	S340-V344 WeakPolarHBondContact O-CB 3.38Å; S340-V344 WeakPolarHBondContact O-CG2 3.3Å; S340-V344 PolarHBondContact O-N 3.17Å; I341-V344 HydrophobicContact CD1-CG1 4.42Å; I341-V344 PolarHBondContact O-N 3.4Å; V344-G346 VanDerWaalsContact C-N 3.34Å; V344-T348 VanDerWaalsContact O-CB 3.23Å; V344-T348 WeakPolarHBondContact O-CB 3.16Å; V344-T348 PolarHBondContact O-N 3.1Å; V344-T348 PolarHBondContact O-OG1 2.92Å; V344-T378 HydrophobicContact CB-CG2 4.41Å; V344-T378 HydrophobicContact CG1-CG2 3.97Å; V344-T378 HydrophobicContact CG2-CG2 3.67Å; V344-I379 HydrophobicContact CB-CG1 4.44Å; V344-I379 HydrophobicContact CG2-CG1 3.76Å; V344-M382 HydrophobicContact CG1-CG 4.25Å; V344-M382 HydrophobicContact CG1-SD 3.36Å; V344-M382 WeakPolarHBondContact CG1-SD 3.38Å
345	L	76.3	Confident	80	Confident	57 Å²	57	42.5 Å²	42.5	30%	0.298	23%	0.229	S	C	.	.	H	α-helix	trans	-71.5	-31.1	179.5	-65.9	179.2	0	0	0	112	I341 I343 K349 M382	I341-L345 HydrophobicContact CD1-CD1 4.03Å; I341-L345 HydrophobicContact CD1-CD2 4.25Å; I341-L345 HydrophobicContact CD1-CG 3.78Å; I341-L345 HydrophobicContact CG1-CD1 3.72Å; I341-L345 HydrophobicContact CG1-CG 3.92Å; I341-L345 VanDerWaalsContact O-CB 3.31Å; I341-L345 WeakPolarHBondContact O-CB 3.43Å; I341-L345 VanDerWaalsContact O-CG 3.28Å; I341-L345 WeakPolarHBondContact O-CG 3.34Å; I341-L345 PolarHBondContact O-N 3.47Å; I343-L345 PolarHBondContact O-N 3.45Å; L345-K349 VanDerWaalsContact O-CB 3.3Å; L345-K349 WeakPolarHBondContact O-CB 3.43Å; L345-K349 PolarHBondContact O-N 3.45Å; L345-M382 HydrophobicContact CD2-CE 4.22Å; L345-M382 HydrophobicContact CD2-SD 4.32Å
346	G	81.8	Confident	80.1	Confident	5 Å²	5	40.2 Å²	40.2	5%	0.052	22%	0.217	C	C	.	.	H	α-helix	trans	-62.4	-53	172.4	0	0	0	0	0	112	D342 I343 V344 K349 H350 M449	D342-G346 WeakPolarHBondContact O-CA 3.33Å; D342-G346 PolarHBondContact O-N 3.33Å; I343-G346 PolarHBondContact O-N 2.89Å; V344-G346 VanDerWaalsContact C-N 3.34Å; G346-K349 WeakPolarHBondContact O-CB 3.38Å; G346-K349 PolarHBondContact O-N 3.18Å; G346-H350 PolarHBondContact O-N 3.46Å; G346-H350 VanDerWaalsContact O-N 3.16Å; G346-H350 PolarHBondContact O-ND1 2.94Å; G346-M449 VanDerWaalsContact CA-SD 3.59Å
347	I	84.6	Confident	80.1	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-50.8	175.6	-69.3	171.2	0	0	0	110.2	L330 I343 K349 H350 L351 F363 I379 I444 M449	L330-I347 HydrophobicContact CD1-CD1 4.37Å; L330-I347 HydrophobicContact CD2-CD1 4.23Å; I343-I347 HydrophobicContact CG2-CD1 3.74Å; I343-I347 HydrophobicContact CG2-CG1 4.41Å; I343-I347 WeakPolarHBondContact O-CG1 3.22Å; I343-I347 PolarHBondContact O-N 3.43Å; I347-K349 VanDerWaalsContact C-N 3.25Å; I347-K349 PolarHBondContact O-N 3.04Å; I347-H350 PolarHBondContact O-N 3.42Å; I347-H350 VanDerWaalsContact O-N 3.07Å; I347-L351 HydrophobicContact CG2-CD1 3.71Å; I347-L351 HydrophobicContact CG2-CG 4.04Å; I347-L351 WeakPolarHBondContact O-CB 3.36Å; I347-L351 WeakPolarHBondContact O-CG 3.49Å; I347-L351 PolarHBondContact O-N 3.38Å; I347-F363 HydrophobicContact CD1-CE1 4.4Å; I347-F363 HydrophobicContact CG2-CE1 3.81Å; I347-F363 HydrophobicContact CG2-CZ 3.88Å; I347-I379 HydrophobicContact CD1-CD1 3.67Å; I347-I379 HydrophobicContact CD1-CG1 4.39Å; I347-I379 HydrophobicContact CG2-CG2 4.14Å; I347-I444 HydrophobicContact CG1-CD1 4.3Å; I347-I444 HydrophobicContact CG1-CG2 4.44Å; I347-I444 HydrophobicContact CG2-CD1 4.31Å; I347-M449 HydrophobicContact CG1-CE 4.38Å
348	T	73.8	Confident	80.1	Confident	14 Å²	14	39.5 Å²	39.5	9%	0.086	23%	0.225	C	C	.	.	H	α-helix	trans	-52	-42.4	176.7	-67.2	0	0	0	0	112.5	V344 R352 M382 Y386	V344-T348 VanDerWaalsContact O-CB 3.23Å; V344-T348 WeakPolarHBondContact O-CB 3.16Å; V344-T348 PolarHBondContact O-N 3.1Å; V344-T348 PolarHBondContact O-OG1 2.92Å; T348-R352 VanDerWaalsContact O-CB 3.25Å; T348-R352 WeakPolarHBondContact O-CB 3.38Å; T348-R352 PolarHBondContact O-N 3.41Å; T348-M382 HydrophobicContact CG2-CE 4.06Å; T348-Y386 HydrophobicContact CG2-CD1 4.02Å
349	K	79	Confident	80.4	Confident	105 Å²	105	40.9 Å²	40.9	46%	0.457	23%	0.231	S	C	.	.	H	α-helix	trans	-63.1	-50.5	176.7	-178.9	-162	168.7	-161.8	0	111.5	L345 G346 I347 R352 Q353	L345-K349 VanDerWaalsContact O-CB 3.3Å; L345-K349 WeakPolarHBondContact O-CB 3.43Å; L345-K349 PolarHBondContact O-N 3.45Å; G346-K349 WeakPolarHBondContact O-CB 3.38Å; G346-K349 PolarHBondContact O-N 3.18Å; I347-K349 VanDerWaalsContact C-N 3.25Å; I347-K349 PolarHBondContact O-N 3.04Å; K349-R352 PolarHBondContact O-N 3.48Å; K349-Q353 WeakPolarHBondContact O-CB 3.31Å; K349-Q353 VanDerWaalsContact O-CG 3.28Å; K349-Q353 WeakPolarHBondContact O-CG 3.24Å; K349-Q353 PolarHBondContact O-N 3.39Å
350	H	84.2	Confident	81.2	Confident	62 Å²	62	40.7 Å²	40.7	29%	0.287	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-46.1	-178.9	-71.2	91.1	0	0	0	111.6	G346 I347 R352 Q353 A354 I444	G346-H350 PolarHBondContact O-N 3.46Å; G346-H350 VanDerWaalsContact O-N 3.16Å; G346-H350 PolarHBondContact O-ND1 2.94Å; I347-H350 PolarHBondContact O-N 3.42Å; I347-H350 VanDerWaalsContact O-N 3.07Å; H350-R352 VanDerWaalsContact C-N 3.35Å; H350-R352 PolarHBondContact O-N 3.39Å; H350-Q353 WeakPolarHBondContact O-CB 3.2Å; H350-Q353 PolarHBondContact O-N 2.95Å; H350-Q353 VanDerWaalsContact O-N 3.1Å; H350-A354 PolarHBondContact O-N 3.21Å; H350-I444 HydrophobicContact CB-CD1 3.84Å; H350-I444 HydrophobicContact CB-CG1 4.36Å
351	L	83.3	Confident	82.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-44.7	176.2	-73.2	-173.7	0	0	0	112.2	I347 Q353 A354 G355 I356 V361 F363 Y386 I442	I347-L351 HydrophobicContact CG2-CD1 3.71Å; I347-L351 HydrophobicContact CG2-CG 4.04Å; I347-L351 WeakPolarHBondContact O-CB 3.36Å; I347-L351 WeakPolarHBondContact O-CG 3.49Å; I347-L351 PolarHBondContact O-N 3.38Å; L351-Q353 VanDerWaalsContact C-N 3.34Å; L351-Q353 PolarHBondContact O-N 3.06Å; L351-A354 PolarHBondContact O-N 3.06Å; L351-G355 PolarHBondContact O-N 2.87Å; L351-I356 HydrophobicContact CB-CD1 3.65Å; L351-I356 HydrophobicContact CD1-CD1 4.27Å; L351-I356 HydrophobicContact CD2-CD1 4.11Å; L351-I356 HydrophobicContact CG-CD1 4.21Å; L351-V361 HydrophobicContact CD1-CG1 4.45Å; L351-V361 HydrophobicContact CD2-CG1 4.27Å; L351-F363 HydrophobicContact CD1-CZ 4.08Å; L351-Y386 HydrophobicContact CB-CD2 4.41Å; L351-Y386 HydrophobicContact CB-CG 4.18Å; L351-Y386 HydrophobicContact CD1-CD1 4.25Å; L351-Y386 HydrophobicContact CD1-CD2 4.06Å; L351-Y386 HydrophobicContact CD1-CE1 4.09Å; L351-Y386 HydrophobicContact CD1-CE2 3.84Å; L351-Y386 HydrophobicContact CD1-CG 4.24Å; L351-I442 HydrophobicContact CD2-CD1 4.14Å
352	R	73.4	Confident	83.4	Confident	169 Å²	169	39.6 Å²	39.6	64%	0.638	22%	0.224	S	C	*	.	H	α-helix	trans	-65.6	-34.6	174.8	-177.4	172.2	176.5	159.7	0.5	113.1	T348 K349 H350 A354	T348-R352 VanDerWaalsContact O-CB 3.25Å; T348-R352 WeakPolarHBondContact O-CB 3.38Å; T348-R352 PolarHBondContact O-N 3.41Å; K349-R352 PolarHBondContact O-N 3.48Å; H350-R352 VanDerWaalsContact C-N 3.35Å; H350-R352 PolarHBondContact O-N 3.39Å; R352-A354 VanDerWaalsContact C-N 3.32Å
353	Q	80.9	Confident	84.2	Confident	133 Å²	133	38.6 Å²	38.6	62%	0.621	22%	0.218	S	C	*	.	H	α-helix	trans	-70.1	-29.4	174.8	-73.4	177.2	-58.4	0	0	112.4	K349 H350 L351 G355	K349-Q353 WeakPolarHBondContact O-CB 3.31Å; K349-Q353 VanDerWaalsContact O-CG 3.28Å; K349-Q353 WeakPolarHBondContact O-CG 3.24Å; K349-Q353 PolarHBondContact O-N 3.39Å; H350-Q353 WeakPolarHBondContact O-CB 3.2Å; H350-Q353 PolarHBondContact O-N 2.95Å; H350-Q353 VanDerWaalsContact O-N 3.1Å; L351-Q353 VanDerWaalsContact C-N 3.34Å; L351-Q353 PolarHBondContact O-N 3.06Å; Q353-G355 VanDerWaalsContact C-N 3.32Å
354	A	85	Confident	84.8	Confident	46 Å²	46	39 Å²	39	38%	0.38	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-5.9	177.5	0	0	0	0	0	114.7	H350 L351 R352 I356 I442	H350-A354 PolarHBondContact O-N 3.21Å; L351-A354 PolarHBondContact O-N 3.06Å; R352-A354 VanDerWaalsContact C-N 3.32Å; A354-I356 HydrophobicContact CB-CG2 4.18Å; A354-I442 HydrophobicContact CB-CD1 3.45Å; A354-I442 VanDerWaalsContact CB-CD1 3.45Å; A354-I442 HydrophobicContact CB-CG1 4.23Å
355	G	82.4	Confident	85.7	Confident	52 Å²	52	39.2 Å²	39.2	54%	0.536	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.3	30.7	169.5	0	0	0	0	0	115.8	L351 Q353 S357	L351-G355 PolarHBondContact O-N 2.87Å; Q353-G355 VanDerWaalsContact C-N 3.32Å; G355-S357 PolarHBondContact O-N 3.18Å
356	I	84.9	Confident	86.4	Confident	1 Å²	1	40 Å²	40	1%	0.005	23%	0.23	C	C	.	.			trans	-68.9	24.3	-173.5	63.3	174.6	0	0	0	116.8	M326 L351 A354 G358 K359 V361 Y386 A388 I442	M326-I356 HydrophobicContact CE-CG2 4.21Å; M326-I356 HydrophobicContact CG-CB 4.4Å; M326-I356 HydrophobicContact CG-CG2 3.93Å; L351-I356 HydrophobicContact CB-CD1 3.65Å; L351-I356 HydrophobicContact CD1-CD1 4.27Å; L351-I356 HydrophobicContact CD2-CD1 4.11Å; L351-I356 HydrophobicContact CG-CD1 4.21Å; A354-I356 HydrophobicContact CB-CG2 4.18Å; I356-G358 PolarHBondContact O-N 3.32Å; I356-K359 WeakPolarHBondContact O-CB 3.44Å; I356-K359 PolarHBondContact O-N 3.09Å; I356-K359 VanDerWaalsContact O-N 3.13Å; I356-V361 HydrophobicContact CD1-CG2 3.53Å; I356-Y386 HydrophobicContact CD1-CD2 3.58Å; I356-Y386 HydrophobicContact CD1-CE2 4.27Å; I356-Y386 HydrophobicContact CD1-CG 4.32Å; I356-Y386 WeakPolarHBondContact CG1-O 3.35Å; I356-A388 HydrophobicContact CD1-CB 4.04Å; I356-A388 HydrophobicContact CG1-CB 4.49Å; I356-I442 HydrophobicContact CG2-CD1 4Å
357	S	78.9	Confident	86.9	Confident	85 Å²	85	39.7 Å²	39.7	59%	0.594	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	124.3	-170.8	-167.4	0	0	0	0	112.4	G355 K359 N387	G355-S357 PolarHBondContact O-N 3.18Å; S357-K359 PolarHBondContact O-N 2.96Å; S357-N387 CarbonylContact C-O 3.56Å; S357-N387 WeakPolarHBondContact CA-O 3.1Å
358	G	78.8	Confident	87.4	Confident	45 Å²	45	39.7 Å²	39.7	46%	0.464	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-4.1	179.6	0	0	0	0	0	115.5	I356 N387 T389	I356-G358 PolarHBondContact O-N 3.32Å; G358-N387 PolarHBondContact N-O 2.89Å; G358-T389 PolarHBondContact O-OG1 2.96Å
359	K	91.5	Very high	88.2	Confident	32 Å²	32	41.5 Å²	41.5	14%	0.139	24%	0.24	C	C	.	.			trans	-81.9	164.1	176.8	-52.9	-169.9	-175.6	-165.6	0	111.1	Q324 M326 I356 S357 T389 E440	Q324-K359 HydrophobicContact CB-CD 4.03Å; Q324-K359 HydrophobicContact CB-CG 4.18Å; M326-K359 HydrophobicContact CG-CB 3.98Å; M326-K359 HydrophobicContact CG-CD 3.56Å; M326-K359 HydrophobicContact CG-CG 4.42Å; M326-K359 HydrophobicContact SD-CD 3.37Å; M326-K359 WeakPolarHBondContact SD-CD 3.27Å; M326-K359 PolarHBondContact SD-NZ 3.37Å; M326-K359 VanDerWaalsContact SD-NZ 3.41Å; I356-K359 WeakPolarHBondContact O-CB 3.44Å; I356-K359 PolarHBondContact O-N 3.09Å; I356-K359 VanDerWaalsContact O-N 3.13Å; S357-K359 PolarHBondContact O-N 2.96Å; K359-T389 PolarHBondContact O-N 3.1Å; K359-E440 IonicContact NZ-OE1 3.19Å; K359-E440 PolarHBondContact NZ-OE1 2.82Å
360	F	97	Very high	88.7	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	147.7	161.5	-81	20.5	0	0	0	108.9	L300 L320 P323 Q324 V325 M326 T389 V390	L300-F360 HydrophobicContact CD1-CE2 4.06Å; L320-F360 HydrophobicContact CD2-CZ 4.21Å; P323-F360 HydrophobicContact CB-CB 4.41Å; P323-F360 HydrophobicContact CB-CD1 3.61Å; P323-F360 HydrophobicContact CB-CE1 4.02Å; P323-F360 HydrophobicContact CB-CG 3.95Å; P323-F360 HydrophobicContact CG-CB 4.37Å; P323-F360 HydrophobicContact CG-CD1 3.54Å; P323-F360 HydrophobicContact CG-CD2 3.76Å; P323-F360 HydrophobicContact CG-CE1 3.66Å; P323-F360 HydrophobicContact CG-CE2 3.87Å; P323-F360 HydrophobicContact CG-CG 3.61Å; P323-F360 HydrophobicContact CG-CZ 3.83Å; Q324-F360 PolarHBondContact O-N 2.69Å; V325-F360 HydrophobicContact CB-CB 4.43Å; V325-F360 HydrophobicContact CG1-CB 4.25Å; V325-F360 HydrophobicContact CG2-CB 4.06Å; M326-F360 PolarHBondContact N-O 3.32Å; F360-T389 HydrophobicContact CD1-CG2 4.4Å; F360-T389 HydrophobicContact CE1-CG2 3.84Å; F360-V390 HydrophobicContact CD1-CB 3.7Å; F360-V390 HydrophobicContact CD1-CG2 4.06Å; F360-V390 HydrophobicContact CD2-CB 4.07Å; F360-V390 HydrophobicContact CD2-CG1 4.2Å; F360-V390 HydrophobicContact CE1-CB 3.79Å; F360-V390 HydrophobicContact CE1-CG2 3.58Å; F360-V390 HydrophobicContact CE2-CB 4.15Å; F360-V390 HydrophobicContact CE2-CG1 4.35Å; F360-V390 HydrophobicContact CE2-CG2 4.1Å; F360-V390 HydrophobicContact CG-CB 3.84Å; F360-V390 HydrophobicContact CG-CG1 4.34Å; F360-V390 HydrophobicContact CG-CG2 4.49Å; F360-V390 HydrophobicContact CZ-CB 4.01Å; F360-V390 HydrophobicContact CZ-CG2 3.6Å
361	V	97.5	Very high	88.9	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	134.6	165.9	-176.9	0	0	0	0	107.9	M326 C328 L351 I356 F363 A388 V390 S391 F392	M326-V361 HydrophobicContact CB-CG2 4.45Å; M326-V361 WeakPolarHBondContact O-CA 3.46Å; C328-V361 HydrophobicContact CB-CG1 3.75Å; L351-V361 HydrophobicContact CD1-CG1 4.45Å; L351-V361 HydrophobicContact CD2-CG1 4.27Å; I356-V361 HydrophobicContact CD1-CG2 3.53Å; V361-F363 HydrophobicContact CB-CE2 4.46Å; V361-F363 HydrophobicContact CG1-CD2 4.12Å; V361-F363 HydrophobicContact CG1-CE2 3.64Å; V361-F363 HydrophobicContact CG1-CZ 4.07Å; V361-A388 HydrophobicContact CG2-CB 3.98Å; V361-V390 PolarHBondContact N-O 3.16Å; V361-S391 CarbonylContact O-C 3.46Å; V361-S391 WeakPolarHBondContact O-CA 3.21Å; V361-F392 PolarHBondContact O-N 3.39Å
362	E	98.3	Very high	89	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.009	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.8	174	-173.1	165.1	123.2	0	0	109.3	P40 L41 S42 V325 M326 G327 C328 F392 P394 F438	P40-E362 WeakPolarHBondContact CB-OE2 3.04Å; L41-E362 PolarHBondContact N-OE1 2.95Å; L41-E362 PolarHBondContact N-OE2 2.85Å; L41-E362 VanDerWaalsContact N-OE2 3.16Å; S42-E362 WeakPolarHBondContact CB-OE2 3.41Å; S42-E362 PolarHBondContact N-OE2 2.96Å; S42-E362 PolarHBondContact OG-OE2 3.47Å; V325-E362 HydrophobicContact CG1-CB 3.77Å; M326-E362 PolarHBondContact O-N 3.13Å; G327-E362 CarbonylContact C-O 3.39Å; G327-E362 WeakPolarHBondContact CA-O 3.37Å; C328-E362 PolarHBondContact N-O 2.63Å; E362-F392 WeakPolarHBondContact CA-O 3.02Å; E362-F392 HydrophobicContact CG-CB 4.48Å; E362-F392 HydrophobicContact CG-CD1 4.18Å; E362-P394 HydrophobicContact CG-CG 4.34Å; E362-F438 HydrophobicContact CB-CE1 3.81Å; E362-F438 HydrophobicContact CG-CE1 3.99Å; E362-F438 HydrophobicContact CG-CZ 4.46Å
363	F	97.4	Very high	89.6	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.6	-174.6	-74.6	-96.7	0	0	0	111.4	C328 L330 I347 L351 V361 V368 I379 S391 F392 F393	C328-F363 HydrophobicContact CB-CD1 3.8Å; C328-F363 HydrophobicContact CB-CE1 3.85Å; C328-F363 HydrophobicContact CB-CG 4.21Å; C328-F363 HydrophobicContact CB-CZ 4.28Å; C328-F363 WeakPolarHBondContact O-CA 3.48Å; C328-F363 WeakPolarHBondContact SG-CE1 3.43Å; L330-F363 HydrophobicContact CD1-CD1 4.04Å; L330-F363 HydrophobicContact CD2-CD1 4.2Å; L330-F363 HydrophobicContact CD2-CE1 4.36Å; L330-F363 HydrophobicContact CG-CD1 4.12Å; I347-F363 HydrophobicContact CD1-CE1 4.4Å; I347-F363 HydrophobicContact CG2-CE1 3.81Å; I347-F363 HydrophobicContact CG2-CZ 3.88Å; L351-F363 HydrophobicContact CD1-CZ 4.08Å; V361-F363 HydrophobicContact CB-CE2 4.46Å; V361-F363 HydrophobicContact CG1-CD2 4.12Å; V361-F363 HydrophobicContact CG1-CE2 3.64Å; V361-F363 HydrophobicContact CG1-CZ 4.07Å; F363-V368 HydrophobicContact CB-CG2 4.25Å; F363-I379 HydrophobicContact CE1-CG2 4.17Å; F363-I379 HydrophobicContact CE2-CG2 4.01Å; F363-I379 HydrophobicContact CZ-CG2 3.51Å; F363-S391 WeakPolarHBondContact CE2-OG 3.5Å; F363-F392 PolarHBondContact N-O 2.76Å; F363-F393 HydrophobicContact CB-CD1 3.61Å; F363-F393 HydrophobicContact CB-CE1 3.45Å; F363-F393 VanDerWaalsContact CB-CE1 3.45Å; F363-F393 HydrophobicContact CB-CG 4.24Å; F363-F393 HydrophobicContact CB-CZ 3.96Å; F363-F393 AromaticContact CD1-CE1 3.79Å; F363-F393 HydrophobicContact CD1-CE1 3.79Å; F363-F393 AromaticContact CD1-CZ 3.68Å; F363-F393 HydrophobicContact CD1-CZ 3.68Å; F363-F393 HydrophobicContact CD2-CD1 4.34Å; F363-F393 HydrophobicContact CD2-CD2 4Å; F363-F393 AromaticContact CD2-CE1 3.88Å; F363-F393 HydrophobicContact CD2-CE1 3.88Å; F363-F393 AromaticContact CD2-CE2 3.51Å; F363-F393 HydrophobicContact CD2-CE2 3.51Å; F363-F393 HydrophobicContact CD2-CG 4.4Å; F363-F393 AromaticContact CD2-CZ 3.44Å; F363-F393 HydrophobicContact CD2-CZ 3.44Å; F363-F393 VanDerWaalsContact CD2-CZ 3.44Å; F363-F393 AromaticContact CE1-CZ 3.97Å; F363-F393 HydrophobicContact CE1-CZ 3.97Å; F363-F393 AromaticContact CE2-CE2 3.75Å; F363-F393 HydrophobicContact CE2-CE2 3.75Å; F363-F393 AromaticContact CE2-CZ 3.77Å; F363-F393 HydrophobicContact CE2-CZ 3.77Å; F363-F393 HydrophobicContact CG-CD1 4Å; F363-F393 HydrophobicContact CG-CD2 4.47Å; F363-F393 AromaticContact CG-CE1 3.41Å; F363-F393 HydrophobicContact CG-CE1 3.41Å; F363-F393 VanDerWaalsContact CG-CE1 3.41Å; F363-F393 AromaticContact CG-CE2 3.96Å; F363-F393 HydrophobicContact CG-CE2 3.96Å; F363-F393 HydrophobicContact CG-CG 4.5Å; F363-F393 AromaticContact CG-CZ 3.39Å; F363-F393 HydrophobicContact CG-CZ 3.39Å; F363-F393 HydrophobicContact CZ-CE2 4.36Å; F363-F393 HydrophobicContact CZ-CZ 4.01Å
364	F	96.3	Very high	89.5	Confident	11 Å²	11	23.4 Å²	23.4	5%	0.048	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	179.4	179.9	81.1	-73.7	0	0	0	112.9	C328 K329 L330 V368 D435 F438 V441	C328-F364 PolarHBondContact O-N 2.87Å; K329-F364 CarbonylContact C-O 3.56Å; K329-F364 WeakPolarHBondContact CA-O 3.47Å; K329-F364 HydrophobicContact CB-CD1 4.1Å; K329-F364 HydrophobicContact CB-CE1 3.51Å; K329-F364 HydrophobicContact CB-CE2 4.12Å; K329-F364 HydrophobicContact CB-CZ 3.54Å; K329-F364 HydrophobicContact CD-CE2 3.9Å; K329-F364 HydrophobicContact CD-CZ 3.85Å; K329-F364 HydrophobicContact CG-CD2 4.22Å; K329-F364 HydrophobicContact CG-CE1 4.1Å; K329-F364 HydrophobicContact CG-CE2 3.77Å; K329-F364 HydrophobicContact CG-CZ 3.71Å; L330-F364 PolarHBondContact N-O 3.06Å; F364-V368 WeakPolarHBondContact O-CG2 3.15Å; F364-D435 HydrophobicContact CD2-CB 4.4Å; F364-D435 WeakPolarHBondContact CD2-OD1 3.49Å; F364-D435 HydrophobicContact CE2-CB 4.38Å; F364-D435 WeakPolarHBondContact CE2-OD2 3.48Å; F364-F438 HydrophobicContact CB-CZ 4.37Å; F364-F438 HydrophobicContact CD1-CD2 4.21Å; F364-F438 AromaticContact CD1-CE2 3.44Å; F364-F438 HydrophobicContact CD1-CE2 3.44Å; F364-F438 VanDerWaalsContact CD1-CE2 3.44Å; F364-F438 AromaticContact CD1-CZ 3.84Å; F364-F438 HydrophobicContact CD1-CZ 3.84Å; F364-F438 HydrophobicContact CD2-CE2 4.06Å; F364-F438 AromaticContact CE1-CD2 3.77Å; F364-F438 HydrophobicContact CE1-CD2 3.77Å; F364-F438 AromaticContact CE1-CE2 3.43Å; F364-F438 HydrophobicContact CE1-CE2 3.43Å; F364-F438 VanDerWaalsContact CE1-CE2 3.43Å; F364-F438 HydrophobicContact CE1-CZ 4.25Å; F364-F438 HydrophobicContact CE2-CE2 4.04Å; F364-F438 AromaticContact CG-CE2 3.76Å; F364-F438 HydrophobicContact CG-CE2 3.76Å; F364-F438 HydrophobicContact CG-CZ 4.08Å; F364-F438 HydrophobicContact CZ-CD2 4Å; F364-F438 AromaticContact CZ-CE2 3.73Å; F364-F438 HydrophobicContact CZ-CE2 3.73Å; F364-V441 HydrophobicContact CE1-CG1 4.04Å; F364-V441 HydrophobicContact CE1-CG2 4.41Å; F364-V441 HydrophobicContact CZ-CG1 3.85Å; F364-V441 HydrophobicContact CZ-CG2 4.18Å
365	G	94.1	Very high	89.4	Confident	3 Å²	3	21.3 Å²	21.3	3%	0.031	15%	0.15	C	C	.	.	S	Bend	trans	85.7	168	-178.7	0	0	0	0	0	114.7	L330 G367 V368	L330-G365 CarbonylContact O-C 3.57Å; G365-G367 PolarHBondContact O-N 2.81Å; G365-G367 VanDerWaalsContact O-N 3.08Å; G365-V368 WeakPolarHBondContact O-CG2 3.17Å; G365-V368 PolarHBondContact O-N 3.13Å; G365-V368 VanDerWaalsContact O-N 3.1Å
366	P	92.3	Very high	89.8	Confident	73 Å²	73	18.9 Å²	18.9	47%	0.474	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-11.9	-167.7	28.2	-37.1	0	0	0	114.4	V368 S369	P366-V368 VanDerWaalsContact C-N 3.31Å; P366-S369 PolarHBondContact O-OG 2.95Å; P366-S369 VanDerWaalsContact O-OG 3.14Å
367	G	92.2	Very high	89.8	Confident	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-19.8	172.6	0	0	0	0	0	114.1	L330 G365 S369 Q370	L330-G367 WeakPolarHBondContact O-CA 3.45Å; L330-G367 PolarHBondContact O-N 3.29Å; G365-G367 PolarHBondContact O-N 2.81Å; G365-G367 VanDerWaalsContact O-N 3.08Å; G367-S369 PolarHBondContact O-N 3.27Å; G367-Q370 PolarHBondContact O-N 2.85Å
368	V	93.8	Very high	89.7	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-71.5	-30.8	-174.7	-178.4	0	0	0	0	112.6	L330 F363 F364 G365 P366 Q370 L371 R376 F393 Y429	L330-V368 HydrophobicContact CB-CG2 4.19Å; L330-V368 HydrophobicContact CD1-CG2 3.94Å; L330-V368 HydrophobicContact CG-CG2 4.08Å; F363-V368 HydrophobicContact CB-CG2 4.25Å; F364-V368 WeakPolarHBondContact O-CG2 3.15Å; G365-V368 WeakPolarHBondContact O-CG2 3.17Å; G365-V368 PolarHBondContact O-N 3.13Å; G365-V368 VanDerWaalsContact O-N 3.1Å; P366-V368 VanDerWaalsContact C-N 3.31Å; V368-Q370 PolarHBondContact O-N 3.12Å; V368-L371 PolarHBondContact O-N 3.43Å; V368-R376 PolarHBondContact O-NH2 3.14Å; V368-F393 HydrophobicContact CG1-CD1 3.95Å; V368-F393 HydrophobicContact CG1-CE1 4.33Å; V368-Y429 HydrophobicContact CB-CD1 4.09Å; V368-Y429 HydrophobicContact CB-CD2 4.16Å; V368-Y429 HydrophobicContact CB-CE1 3.98Å; V368-Y429 HydrophobicContact CB-CE2 4.05Å; V368-Y429 HydrophobicContact CB-CG 4.18Å; V368-Y429 HydrophobicContact CG1-CD2 4.23Å; V368-Y429 HydrophobicContact CG1-CE1 3.98Å; V368-Y429 HydrophobicContact CG1-CE2 3.64Å; V368-Y429 HydrophobicContact CG2-CD1 4.39Å; V368-Y429 HydrophobicContact CG2-CE1 4.18Å
369	S	90.6	Very high	89.9	Confident	51 Å²	51	14.3 Å²	14.3	36%	0.357	8%	0.084	S	C	.	.	G	3₁₀ helix	trans	-67.7	-21.3	176	56	0	0	0	0	113.3	P366 G367 L371	P366-S369 PolarHBondContact O-OG 2.95Å; P366-S369 VanDerWaalsContact O-OG 3.14Å; G367-S369 PolarHBondContact O-N 3.27Å; S369-L371 VanDerWaalsContact C-N 3.28Å; S369-L371 PolarHBondContact O-N 3.44Å
370	Q	90.1	Very high	89.8	Confident	62 Å²	62	12.8 Å²	12.8	29%	0.29	8%	0.078	S	C	.	.	G	3₁₀ helix	trans	-78.3	-12.2	175.8	-59.4	171.4	51.4	0	0	113.2	G332 I334 G367 V368 R676	G332-Q370 PolarHBondContact O-NE2 3.47Å; I334-Q370 HydrophobicContact CD1-CB 3.68Å; I334-Q370 HydrophobicContact CG1-CB 4.37Å; G367-Q370 PolarHBondContact O-N 2.85Å; V368-Q370 PolarHBondContact O-N 3.12Å; Q370-R676 PolarHBondContact O-NH2 3.35Å
371	L	88.6	Confident	88.8	Confident	1 Å²	1	14.7 Å²	14.7	1%	0.005	9%	0.088	C	C	.	.	S	Bend	trans	-94.1	123.9	179.8	-59.7	-177.2	0	0	0	110.9	L330 I334 I343 V368 S369 D375 R376 I379 F393	L330-L371 HydrophobicContact CD1-CD1 3.45Å; L330-L371 VanDerWaalsContact CD1-CD1 3.45Å; L330-L371 HydrophobicContact CD1-CG 4.4Å; I334-L371 HydrophobicContact CD1-CD2 4Å; I343-L371 HydrophobicContact CD1-CD2 4.32Å; I343-L371 HydrophobicContact CG2-CD2 4Å; V368-L371 PolarHBondContact O-N 3.43Å; S369-L371 VanDerWaalsContact C-N 3.28Å; S369-L371 PolarHBondContact O-N 3.44Å; L371-D375 HydrophobicContact CB-CB 4.01Å; L371-D375 HydrophobicContact CD2-CB 4.22Å; L371-R376 HydrophobicContact CB-CG 4.02Å; L371-R376 PolarHBondContact O-NE 2.84Å; L371-I379 HydrophobicContact CD1-CD1 3.77Å; L371-F393 HydrophobicContact CD1-CE1 4.11Å
372	S	86	Confident	87.7	Confident	5 Å²	5	16.2 Å²	16.2	4%	0.035	10%	0.095	C	C	.	.			trans	-68.7	163.6	175.2	72.1	0	0	0	0	111.7	P374 D375 R376	S372-P374 VanDerWaalsContact C-N 3.34Å; S372-P374 WeakPolarHBondContact OG-CD 3.12Å; S372-D375 PolarHBondContact N-OD2 2.75Å; S372-D375 WeakPolarHBondContact O-CB 3.41Å; S372-D375 PolarHBondContact O-N 2.75Å; S372-D375 PolarHBondContact OG-N 3.24Å; S372-D375 VanDerWaalsContact OG-N 3.1Å; S372-D375 PolarHBondContact OG-OD2 3.29Å; S372-R376 VanDerWaalsContact O-CG 3.32Å; S372-R376 WeakPolarHBondContact O-CG 3.45Å; S372-R376 PolarHBondContact O-N 3.11Å
373	A	85.3	Confident	86.7	Confident	3 Å²	3	16.1 Å²	16.1	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-56.3	-40.5	172.1	0	0	0	0	0	113.2	L297 R376 T377 H402	L297-A373 HydrophobicContact CD2-CB 3.83Å; A373-R376 PolarHBondContact O-N 3.31Å; A373-T377 WeakPolarHBondContact O-CB 3.43Å; A373-T377 WeakPolarHBondContact O-CG2 3.1Å; A373-T377 PolarHBondContact O-N 3.18Å; A373-T377 PolarHBondContact O-OG1 2.84Å; A373-H402 HydrophobicContact CB-CB 3.85Å
374	P	78.8	Confident	85.2	Confident	19 Å²	19	18 Å²	18	12%	0.123	11%	0.107	C	C	.	.	H	α-helix	trans	-58	-41.2	167.1	-29.3	36.4	0	0	0	114.9	S372 T377 T378 E683 I688	S372-P374 VanDerWaalsContact C-N 3.34Å; S372-P374 WeakPolarHBondContact OG-CD 3.12Å; P374-T377 WeakPolarHBondContact CA-OG1 3.47Å; P374-T377 PolarHBondContact O-OG1 3.44Å; P374-T378 WeakPolarHBondContact O-CB 3.2Å; P374-T378 PolarHBondContact O-N 3.45Å; P374-T378 PolarHBondContact O-OG1 3.27Å; P374-E683 WeakPolarHBondContact CG-OE1 3.08Å; P374-I688 HydrophobicContact CG-CD1 4.22Å
375	D	82.6	Confident	83.8	Confident	2 Å²	2	21.1 Å²	21.1	1%	0.011	12%	0.122	C	C	.	.	H	α-helix	trans	-61.3	-49.9	176.3	-66.7	-33.2	0	0	0	110.5	S340 L371 S372 T378 I379 R676	S340-D375 WeakPolarHBondContact CB-OD1 3.31Å; S340-D375 PolarHBondContact OG-OD1 3.24Å; L371-D375 HydrophobicContact CB-CB 4.01Å; L371-D375 HydrophobicContact CD2-CB 4.22Å; S372-D375 PolarHBondContact N-OD2 2.75Å; S372-D375 WeakPolarHBondContact O-CB 3.41Å; S372-D375 PolarHBondContact O-N 2.75Å; S372-D375 PolarHBondContact OG-N 3.24Å; S372-D375 VanDerWaalsContact OG-N 3.1Å; S372-D375 PolarHBondContact OG-OD2 3.29Å; D375-T378 PolarHBondContact O-N 3.05Å; D375-I379 WeakPolarHBondContact O-CG1 3.45Å; D375-I379 PolarHBondContact O-N 3.15Å; D375-R676 IonicContact OD2-CZ 2.86Å; D375-R676 IonicContact OD2-NH1 2.78Å; D375-R676 IonicContact OD2-NH2 3.02Å; D375-R676 PolarHBondContact OD2-NH2 2.99Å
376	R	90.3	Very high	82.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.1	-46.7	-178.6	-63.4	171.5	-173.9	-163.5	-3.3	112.3	G296 V368 L371 S372 A373 T378 I379 A380 F393 D396	G296-R376 WeakPolarHBondContact O-CB 3.46Å; V368-R376 PolarHBondContact O-NH2 3.14Å; L371-R376 HydrophobicContact CB-CG 4.02Å; L371-R376 PolarHBondContact O-NE 2.84Å; S372-R376 VanDerWaalsContact O-CG 3.32Å; S372-R376 WeakPolarHBondContact O-CG 3.45Å; S372-R376 PolarHBondContact O-N 3.11Å; A373-R376 PolarHBondContact O-N 3.31Å; R376-T378 VanDerWaalsContact C-N 3.31Å; R376-T378 PolarHBondContact O-N 3.33Å; R376-I379 PolarHBondContact O-N 3.36Å; R376-A380 WeakPolarHBondContact O-CB 3.32Å; R376-A380 PolarHBondContact O-N 3.21Å; R376-F393 HydrophobicContact CB-CB 4.45Å; R376-F393 HydrophobicContact CB-CD1 4.03Å; R376-F393 HydrophobicContact CB-CD2 3.97Å; R376-F393 HydrophobicContact CB-CE1 4.23Å; R376-F393 HydrophobicContact CB-CE2 4.17Å; R376-F393 HydrophobicContact CB-CG 3.89Å; R376-F393 HydrophobicContact CB-CZ 4.29Å; R376-F393 HydrophobicContact CG-CD1 3.62Å; R376-F393 HydrophobicContact CG-CD2 4.47Å; R376-F393 HydrophobicContact CG-CE1 3.81Å; R376-F393 HydrophobicContact CG-CG 3.97Å; R376-F393 HydrophobicContact CG-CZ 4.31Å; R376-F393 WeakPolarHBondContact O-CE2 3.33Å; R376-D396 IonicContact CZ-OD1 2.59Å; R376-D396 IonicContact CZ-OD2 3.28Å; R376-D396 IonicContact NH1-OD1 3.78Å; R376-D396 PolarHBondContact NH1-OD1 3.04Å; R376-D396 IonicContact NH1-OD2 3.93Å; R376-D396 PolarHBondContact NH1-OD2 3.31Å; R376-D396 VanDerWaalsContact NH1-OD2 3.1Å; R376-D396 IonicContact NH2-OD1 3.73Å; R376-D396 IonicContact NH2-OD2 3.36Å; R376-D396 PolarHBondContact NH2-OD2 3.3Å
377	T	84.8	Confident	81.9	Confident	9 Å²	9	22 Å²	22	6%	0.055	12%	0.122	C	C	.	.	H	α-helix	trans	-66.7	-33	176.9	54.8	0	0	0	0	111.7	L265 L297 A373 P374 A380 N381	L265-T377 HydrophobicContact CD1-CG2 4.12Å; L265-T377 HydrophobicContact CD2-CG2 3.67Å; L297-T377 HydrophobicContact CD2-CG2 4.01Å; L297-T377 HydrophobicContact CG-CG2 3.83Å; A373-T377 WeakPolarHBondContact O-CB 3.43Å; A373-T377 WeakPolarHBondContact O-CG2 3.1Å; A373-T377 PolarHBondContact O-N 3.18Å; A373-T377 PolarHBondContact O-OG1 2.84Å; P374-T377 WeakPolarHBondContact CA-OG1 3.47Å; P374-T377 PolarHBondContact O-OG1 3.44Å; T377-A380 PolarHBondContact O-N 2.58Å; T377-N381 WeakPolarHBondContact O-CB 3.39Å; T377-N381 PolarHBondContact O-N 3.02Å
378	T	78	Confident	81.5	Confident	27 Å²	27	22.5 Å²	22.5	17%	0.166	13%	0.126	C	C	.	.	H	α-helix	trans	-65.5	-43.5	172.2	-52.2	0	0	0	0	111.6	V344 P374 D375 R376 N381 M382 N525	V344-T378 HydrophobicContact CB-CG2 4.41Å; V344-T378 HydrophobicContact CG1-CG2 3.97Å; V344-T378 HydrophobicContact CG2-CG2 3.67Å; P374-T378 WeakPolarHBondContact O-CB 3.2Å; P374-T378 PolarHBondContact O-N 3.45Å; P374-T378 PolarHBondContact O-OG1 3.27Å; D375-T378 PolarHBondContact O-N 3.05Å; R376-T378 VanDerWaalsContact C-N 3.31Å; R376-T378 PolarHBondContact O-N 3.33Å; T378-N381 PolarHBondContact O-N 2.8Å; T378-M382 PolarHBondContact O-N 2.95Å; T378-N525 PolarHBondContact OG1-ND2 3.3Å
379	I	83.1	Confident	81.3	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.6	-46.1	175.5	-63.9	162.2	0	0	0	110.8	V344 I347 F363 L371 D375 R376 M382 Y386 F393	V344-I379 HydrophobicContact CB-CG1 4.44Å; V344-I379 HydrophobicContact CG2-CG1 3.76Å; I347-I379 HydrophobicContact CD1-CD1 3.67Å; I347-I379 HydrophobicContact CD1-CG1 4.39Å; I347-I379 HydrophobicContact CG2-CG2 4.14Å; F363-I379 HydrophobicContact CE1-CG2 4.17Å; F363-I379 HydrophobicContact CE2-CG2 4.01Å; F363-I379 HydrophobicContact CZ-CG2 3.51Å; L371-I379 HydrophobicContact CD1-CD1 3.77Å; D375-I379 WeakPolarHBondContact O-CG1 3.45Å; D375-I379 PolarHBondContact O-N 3.15Å; R376-I379 PolarHBondContact O-N 3.36Å; I379-M382 PolarHBondContact O-N 3.13Å; I379-Y386 PolarHBondContact O-OH 3.01Å; I379-F393 HydrophobicContact CB-CE2 4.01Å; I379-F393 HydrophobicContact CB-CZ 4.01Å; I379-F393 HydrophobicContact CD1-CZ 3.82Å; I379-F393 HydrophobicContact CG2-CE2 3.96Å; I379-F393 HydrophobicContact CG2-CZ 3.91Å
380	A	88.1	Confident	81.5	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-69.9	-29.5	-179.4	0	0	0	0	0	113.6	T292 N295 R376 T377 M382 C383 S391	T292-A380 CarbonylContact C-O 3.56Å; T292-A380 WeakPolarHBondContact CB-O 3.28Å; T292-A380 WeakPolarHBondContact O-CB 3.38Å; T292-A380 PolarHBondContact OG1-O 2.67Å; N295-A380 HydrophobicContact CB-CB 4.2Å; R376-A380 WeakPolarHBondContact O-CB 3.32Å; R376-A380 PolarHBondContact O-N 3.21Å; T377-A380 PolarHBondContact O-N 2.58Å; A380-M382 VanDerWaalsContact C-N 3.31Å; A380-C383 VanDerWaalsContact O-CB 3.23Å; A380-C383 WeakPolarHBondContact O-CB 3.34Å; A380-C383 PolarHBondContact O-N 2.86Å; A380-S391 WeakPolarHBondContact CA-OG 3.36Å; A380-S391 WeakPolarHBondContact CB-O 3.36Å
381	N	77.3	Confident	81.6	Confident	40 Å²	40	19.2 Å²	19.2	21%	0.214	11%	0.108	C	C	.	.	H	α-helix	trans	-62.9	-38.5	170.6	-176.4	76.5	0	0	0	111.2	H290 M293 T377 T378 C383 P384	H290-N381 PolarHBondContact CD2-O 3.43Å; M293-N381 HydrophobicContact CB-CB 3.92Å; M293-N381 HydrophobicContact CG-CB 3.92Å; M293-N381 HydrophobicContact SD-CB 4.39Å; T377-N381 WeakPolarHBondContact O-CB 3.39Å; T377-N381 PolarHBondContact O-N 3.02Å; T378-N381 PolarHBondContact O-N 2.8Å; N381-C383 PolarHBondContact O-N 3.44Å; N381-C383 VanDerWaalsContact O-N 3.09Å; N381-P384 VanDerWaalsContact O-CD 3.3Å; N381-P384 WeakPolarHBondContact O-CD 3.36Å
382	M	72.9	Confident	82.1	Confident	33 Å²	33	19.3 Å²	19.3	16%	0.163	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	11.2	-179.9	-67.8	-160.6	70.8	0	0	115	V344 L345 T348 T378 I379 A380 E385 Y386	V344-M382 HydrophobicContact CG1-CG 4.25Å; V344-M382 HydrophobicContact CG1-SD 3.36Å; V344-M382 WeakPolarHBondContact CG1-SD 3.38Å; L345-M382 HydrophobicContact CD2-CE 4.22Å; L345-M382 HydrophobicContact CD2-SD 4.32Å; T348-M382 HydrophobicContact CG2-CE 4.06Å; T378-M382 PolarHBondContact O-N 2.95Å; I379-M382 PolarHBondContact O-N 3.13Å; A380-M382 VanDerWaalsContact C-N 3.31Å; M382-E385 VanDerWaalsContact C-OE2 3.25Å; M382-E385 VanDerWaalsContact CA-OE2 3.23Å; M382-E385 WeakPolarHBondContact CA-OE2 3.29Å; M382-E385 HydrophobicContact CE-CB 4.02Å; M382-E385 HydrophobicContact CE-CG 4.07Å; M382-E385 WeakPolarHBondContact O-CB 3.5Å; M382-E385 PolarHBondContact O-N 3.29Å; M382-Y386 VanDerWaalsContact C-CE1 3.43Å; M382-Y386 HydrophobicContact CB-CD1 4.41Å; M382-Y386 HydrophobicContact CB-CE1 3.91Å; M382-Y386 WeakPolarHBondContact O-CD1 3.37Å; M382-Y386 WeakPolarHBondContact O-CE1 3.28Å; M382-Y386 PolarHBondContact O-N 3.2Å
383	C	78.7	Confident	82.7	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-44.6	-179.6	-168.5	0	0	0	0	114	T292 A380 N381 E385 Y386 N387 A388	T292-C383 HydrophobicContact CG2-CB 3.96Å; T292-C383 WeakPolarHBondContact OG1-CB 3.48Å; A380-C383 VanDerWaalsContact O-CB 3.23Å; A380-C383 WeakPolarHBondContact O-CB 3.34Å; A380-C383 PolarHBondContact O-N 2.86Å; N381-C383 PolarHBondContact O-N 3.44Å; N381-C383 VanDerWaalsContact O-N 3.09Å; C383-E385 VanDerWaalsContact C-N 3.32Å; C383-E385 PolarHBondContact O-N 2.61Å; C383-Y386 VanDerWaalsContact CA-CZ 3.47Å; C383-Y386 HydrophobicContact CB-CE2 4.23Å; C383-Y386 PolarHBondContact O-N 3.32Å; C383-N387 PolarHBondContact O-N 2.83Å; C383-A388 PolarHBondContact O-N 3.44Å; C383-A388 VanDerWaalsContact SG-C 3.55Å; C383-A388 PolarHBondContact SG-O 3.47Å
384	P	65.4	Low	83.2	Confident	40 Å²	40	19 Å²	19	26%	0.26	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-61.3	-35.6	173.8	-23.3	35.8	0	0	0	113.7	N381 Y386 N387	N381-P384 VanDerWaalsContact O-CD 3.3Å; N381-P384 WeakPolarHBondContact O-CD 3.36Å; P384-Y386 VanDerWaalsContact C-N 3.29Å; P384-Y386 PolarHBondContact O-N 2.98Å; P384-N387 PolarHBondContact O-N 3.17Å; P384-N387 VanDerWaalsContact O-N 3.08Å
385	E	66.5	Low	84	Confident	76 Å²	76	18.3 Å²	18.3	36%	0.355	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-71	-20.4	-175.6	-71.7	74.9	-173.6	0	0	114	H290 M382 C383	H290-E385 IonicContact CE1-OE1 2.85Å; H290-E385 IonicContact NE2-OE1 3.82Å; H290-E385 PolarHBondContact NE2-OE1 3.3Å; H290-E385 IonicContact NE2-OE2 3.19Å; M382-E385 VanDerWaalsContact C-OE2 3.25Å; M382-E385 VanDerWaalsContact CA-OE2 3.23Å; M382-E385 WeakPolarHBondContact CA-OE2 3.29Å; M382-E385 HydrophobicContact CE-CB 4.02Å; M382-E385 HydrophobicContact CE-CG 4.07Å; M382-E385 WeakPolarHBondContact O-CB 3.5Å; M382-E385 PolarHBondContact O-N 3.29Å; C383-E385 VanDerWaalsContact C-N 3.32Å; C383-E385 PolarHBondContact O-N 2.61Å
386	Y	72.4	Confident	84.6	Confident	2 Å²	2	18.2 Å²	18.2	1%	0.008	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-108.7	12.8	168.3	48.6	-105.2	0	0	0	114.1	T348 L351 I356 I379 M382 C383 P384 A388 S391	T348-Y386 HydrophobicContact CG2-CD1 4.02Å; L351-Y386 HydrophobicContact CB-CD2 4.41Å; L351-Y386 HydrophobicContact CB-CG 4.18Å; L351-Y386 HydrophobicContact CD1-CD1 4.25Å; L351-Y386 HydrophobicContact CD1-CD2 4.06Å; L351-Y386 HydrophobicContact CD1-CE1 4.09Å; L351-Y386 HydrophobicContact CD1-CE2 3.84Å; L351-Y386 HydrophobicContact CD1-CG 4.24Å; I356-Y386 HydrophobicContact CD1-CD2 3.58Å; I356-Y386 HydrophobicContact CD1-CE2 4.27Å; I356-Y386 HydrophobicContact CD1-CG 4.32Å; I356-Y386 WeakPolarHBondContact CG1-O 3.35Å; I379-Y386 PolarHBondContact O-OH 3.01Å; M382-Y386 VanDerWaalsContact C-CE1 3.43Å; M382-Y386 HydrophobicContact CB-CD1 4.41Å; M382-Y386 HydrophobicContact CB-CE1 3.91Å; M382-Y386 WeakPolarHBondContact O-CD1 3.37Å; M382-Y386 WeakPolarHBondContact O-CE1 3.28Å; M382-Y386 PolarHBondContact O-N 3.2Å; C383-Y386 VanDerWaalsContact CA-CZ 3.47Å; C383-Y386 HydrophobicContact CB-CE2 4.23Å; C383-Y386 PolarHBondContact O-N 3.32Å; P384-Y386 VanDerWaalsContact C-N 3.29Å; P384-Y386 PolarHBondContact O-N 2.98Å; Y386-A388 VanDerWaalsContact C-N 3.27Å; Y386-A388 HydrophobicContact CD2-CB 3.78Å; Y386-A388 HydrophobicContact CE2-CB 3.81Å; Y386-A388 PolarHBondContact O-N 3.49Å; Y386-S391 WeakPolarHBondContact OH-CB 3.32Å; Y386-S391 PolarHBondContact OH-OG 2.91Å
387	N	74.5	Confident	84.8	Confident	93 Å²	93	22.9 Å²	22.9	50%	0.497	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	19.5	175.3	-52.1	-59.2	0	0	0	116.3	S357 G358 C383 P384	S357-N387 CarbonylContact C-O 3.56Å; S357-N387 WeakPolarHBondContact CA-O 3.1Å; G358-N387 PolarHBondContact N-O 2.89Å; C383-N387 PolarHBondContact O-N 2.83Å; P384-N387 PolarHBondContact O-N 3.17Å; P384-N387 VanDerWaalsContact O-N 3.08Å
388	A	84.1	Confident	85.1	Confident	10 Å²	10	23.1 Å²	23.1	8%	0.083	12%	0.124	C	C	.	.			trans	-78.5	158.4	171	0	0	0	0	0	110.9	I356 V361 C383 Y386	I356-A388 HydrophobicContact CD1-CB 4.04Å; I356-A388 HydrophobicContact CG1-CB 4.49Å; V361-A388 HydrophobicContact CG2-CB 3.98Å; C383-A388 PolarHBondContact O-N 3.44Å; C383-A388 VanDerWaalsContact SG-C 3.55Å; C383-A388 PolarHBondContact SG-O 3.47Å; Y386-A388 VanDerWaalsContact C-N 3.27Å; Y386-A388 HydrophobicContact CD2-CB 3.78Å; Y386-A388 HydrophobicContact CE2-CB 3.81Å; Y386-A388 PolarHBondContact O-N 3.49Å
389	T	88.6	Confident	85.7	Confident	43 Å²	43	21.9 Å²	21.9	26%	0.264	12%	0.116	S	C	.	.	S	Bend	trans	-83.2	-38.7	175.2	-52	0	0	0	0	111.1	G358 K359 F360	G358-T389 PolarHBondContact O-OG1 2.96Å; K359-T389 PolarHBondContact O-N 3.1Å; F360-T389 HydrophobicContact CD1-CG2 4.4Å; F360-T389 HydrophobicContact CE1-CG2 3.84Å
390	V	94.5	Very high	86.2	Confident	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	147.8	-179.4	162.6	0	0	0	0	109.1	L300 W302 F360 V361 F392	L300-V390 HydrophobicContact CD1-CG1 3.76Å; L300-V390 HydrophobicContact CD1-CG2 4.07Å; W302-V390 HydrophobicContact CB-CG2 4.15Å; W302-V390 HydrophobicContact CD2-CG2 4.44Å; W302-V390 HydrophobicContact CE3-CG2 3.91Å; F360-V390 HydrophobicContact CD1-CB 3.7Å; F360-V390 HydrophobicContact CD1-CG2 4.06Å; F360-V390 HydrophobicContact CD2-CB 4.07Å; F360-V390 HydrophobicContact CD2-CG1 4.2Å; F360-V390 HydrophobicContact CE1-CB 3.79Å; F360-V390 HydrophobicContact CE1-CG2 3.58Å; F360-V390 HydrophobicContact CE2-CB 4.15Å; F360-V390 HydrophobicContact CE2-CG1 4.35Å; F360-V390 HydrophobicContact CE2-CG2 4.1Å; F360-V390 HydrophobicContact CG-CB 3.84Å; F360-V390 HydrophobicContact CG-CG1 4.34Å; F360-V390 HydrophobicContact CG-CG2 4.49Å; F360-V390 HydrophobicContact CZ-CB 4.01Å; F360-V390 HydrophobicContact CZ-CG2 3.6Å; V361-V390 PolarHBondContact N-O 3.16Å; V390-F392 HydrophobicContact CG1-CB 3.96Å
391	S	93.7	Very high	86.2	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	88.3	175.9	164.2	0	0	0	0	109.6	N295 V361 F363 A380 Y386	N295-S391 WeakPolarHBondContact CB-O 3.34Å; V361-S391 CarbonylContact O-C 3.46Å; V361-S391 WeakPolarHBondContact O-CA 3.21Å; F363-S391 WeakPolarHBondContact CE2-OG 3.5Å; A380-S391 WeakPolarHBondContact CA-OG 3.36Å; A380-S391 WeakPolarHBondContact CB-O 3.36Å; Y386-S391 WeakPolarHBondContact OH-CB 3.32Å; Y386-S391 PolarHBondContact OH-OG 2.91Å
392	F	98.2	Very high	86.7	Confident	3 Å²	3	26 Å²	26	1%	0.013	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	129.8	-163.9	-163.5	-109	0	0	0	113.9	L41 I45 N295 G298 L300 V361 E362 F363 V390 P394	L41-F392 HydrophobicContact CB-CE1 4.15Å; I45-F392 HydrophobicContact CD1-CE1 4.37Å; I45-F392 HydrophobicContact CD1-CE2 3.96Å; I45-F392 HydrophobicContact CD1-CZ 3.5Å; N295-F392 HydrophobicContact CB-CD2 4.22Å; G298-F392 VanDerWaalsContact C-CE2 3.47Å; G298-F392 WeakPolarHBondContact O-CE2 3.36Å; G298-F392 WeakPolarHBondContact O-CZ 3.19Å; L300-F392 HydrophobicContact CB-CE2 4.31Å; L300-F392 HydrophobicContact CD1-CD2 4.29Å; V361-F392 PolarHBondContact O-N 3.39Å; E362-F392 WeakPolarHBondContact CA-O 3.02Å; E362-F392 HydrophobicContact CG-CB 4.48Å; E362-F392 HydrophobicContact CG-CD1 4.18Å; F363-F392 PolarHBondContact N-O 2.76Å; V390-F392 HydrophobicContact CG1-CB 3.96Å; F392-P394 HydrophobicContact CD1-CG 4.08Å; F392-P394 HydrophobicContact CE1-CB 4.34Å; F392-P394 HydrophobicContact CE1-CG 4.02Å
393	F	97.8	Very high	87.3	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.			trans	-114.6	107	168.8	-72.4	-94.2	0	0	0	108.5	N295 G298 F363 V368 L371 R376 I379	N295-F393 PolarHBondContact O-N 2.91Å; G298-F393 WeakPolarHBondContact CA-O 3.43Å; G298-F393 PolarHBondContact N-O 3.47Å; G298-F393 VanDerWaalsContact N-O 3.08Å; F363-F393 HydrophobicContact CB-CD1 3.61Å; F363-F393 HydrophobicContact CB-CE1 3.45Å; F363-F393 VanDerWaalsContact CB-CE1 3.45Å; F363-F393 HydrophobicContact CB-CG 4.24Å; F363-F393 HydrophobicContact CB-CZ 3.96Å; F363-F393 AromaticContact CD1-CE1 3.79Å; F363-F393 HydrophobicContact CD1-CE1 3.79Å; F363-F393 AromaticContact CD1-CZ 3.68Å; F363-F393 HydrophobicContact CD1-CZ 3.68Å; F363-F393 HydrophobicContact CD2-CD1 4.34Å; F363-F393 HydrophobicContact CD2-CD2 4Å; F363-F393 AromaticContact CD2-CE1 3.88Å; F363-F393 HydrophobicContact CD2-CE1 3.88Å; F363-F393 AromaticContact CD2-CE2 3.51Å; F363-F393 HydrophobicContact CD2-CE2 3.51Å; F363-F393 HydrophobicContact CD2-CG 4.4Å; F363-F393 AromaticContact CD2-CZ 3.44Å; F363-F393 HydrophobicContact CD2-CZ 3.44Å; F363-F393 VanDerWaalsContact CD2-CZ 3.44Å; F363-F393 AromaticContact CE1-CZ 3.97Å; F363-F393 HydrophobicContact CE1-CZ 3.97Å; F363-F393 AromaticContact CE2-CE2 3.75Å; F363-F393 HydrophobicContact CE2-CE2 3.75Å; F363-F393 AromaticContact CE2-CZ 3.77Å; F363-F393 HydrophobicContact CE2-CZ 3.77Å; F363-F393 HydrophobicContact CG-CD1 4Å; F363-F393 HydrophobicContact CG-CD2 4.47Å; F363-F393 AromaticContact CG-CE1 3.41Å; F363-F393 HydrophobicContact CG-CE1 3.41Å; F363-F393 VanDerWaalsContact CG-CE1 3.41Å; F363-F393 AromaticContact CG-CE2 3.96Å; F363-F393 HydrophobicContact CG-CE2 3.96Å; F363-F393 HydrophobicContact CG-CG 4.5Å; F363-F393 AromaticContact CG-CZ 3.39Å; F363-F393 HydrophobicContact CG-CZ 3.39Å; F363-F393 HydrophobicContact CZ-CE2 4.36Å; F363-F393 HydrophobicContact CZ-CZ 4.01Å; V368-F393 HydrophobicContact CG1-CD1 3.95Å; V368-F393 HydrophobicContact CG1-CE1 4.33Å; L371-F393 HydrophobicContact CD1-CE1 4.11Å; R376-F393 HydrophobicContact CB-CB 4.45Å; R376-F393 HydrophobicContact CB-CD1 4.03Å; R376-F393 HydrophobicContact CB-CD2 3.97Å; R376-F393 HydrophobicContact CB-CE1 4.23Å; R376-F393 HydrophobicContact CB-CE2 4.17Å; R376-F393 HydrophobicContact CB-CG 3.89Å; R376-F393 HydrophobicContact CB-CZ 4.29Å; R376-F393 HydrophobicContact CG-CD1 3.62Å; R376-F393 HydrophobicContact CG-CD2 4.47Å; R376-F393 HydrophobicContact CG-CE1 3.81Å; R376-F393 HydrophobicContact CG-CG 3.97Å; R376-F393 HydrophobicContact CG-CZ 4.31Å; R376-F393 WeakPolarHBondContact O-CE2 3.33Å; I379-F393 HydrophobicContact CB-CE2 4.01Å; I379-F393 HydrophobicContact CB-CZ 4.01Å; I379-F393 HydrophobicContact CD1-CZ 3.82Å; I379-F393 HydrophobicContact CG2-CE2 3.96Å; I379-F393 HydrophobicContact CG2-CZ 3.91Å
394	P	96.8	Very high	87.7	Confident	3 Å²	3	30.1 Å²	30.1	2%	0.019	15%	0.15	C	C	.	.			trans	-51.9	151.3	177.5	-30.9	36.6	0	0	0	115	L41 E362 F392 D396 R427 Y429	L41-P394 HydrophobicContact CB-CG 4.26Å; L41-P394 HydrophobicContact CD2-CB 3.68Å; L41-P394 HydrophobicContact CD2-CG 3.97Å; E362-P394 HydrophobicContact CG-CG 4.34Å; F392-P394 HydrophobicContact CD1-CG 4.08Å; F392-P394 HydrophobicContact CE1-CB 4.34Å; F392-P394 HydrophobicContact CE1-CG 4.02Å; P394-D396 PolarHBondContact O-N 3.07Å; P394-R427 HydrophobicContact CB-CB 3.79Å; P394-R427 HydrophobicContact CB-CG 4.19Å; P394-Y429 WeakPolarHBondContact CD-OH 3.2Å; P394-Y429 PolarHBondContact O-OH 3.43Å
395	V	96.3	Very high	88.2	Confident	3 Å²	3	30.9 Å²	30.9	2%	0.018	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-65.1	126.6	176.4	-179.5	0	0	0	0	110	V271 T399 L416 M420 F426 R427	V271-V395 HydrophobicContact CG1-CG2 3.85Å; V395-T399 HydrophobicContact CG1-CG2 4.11Å; V395-L416 HydrophobicContact CG1-CD2 4.12Å; V395-M420 HydrophobicContact CG2-CE 4.23Å; V395-F426 HydrophobicContact CG1-CD2 4.11Å; V395-F426 HydrophobicContact CG1-CE2 4.37Å; V395-F426 CarbonylContact O-C 3.4Å; V395-F426 WeakPolarHBondContact O-CA 3.27Å; V395-R427 PolarHBondContact O-N 3.38Å
396	D	95.1	Very high	88.5	Confident	0 Å²	0	28 Å²	28	0%	0	14%	0.137	C	C	.	.			trans	-142.7	-172.8	-178.8	74.1	-22.7	0	0	0	111.1	R376 P394 V398 T399 L400 R427 Y429	R376-D396 IonicContact CZ-OD1 2.59Å; R376-D396 IonicContact CZ-OD2 3.28Å; R376-D396 IonicContact NH1-OD1 3.78Å; R376-D396 PolarHBondContact NH1-OD1 3.04Å; R376-D396 IonicContact NH1-OD2 3.93Å; R376-D396 PolarHBondContact NH1-OD2 3.31Å; R376-D396 VanDerWaalsContact NH1-OD2 3.1Å; R376-D396 IonicContact NH2-OD1 3.73Å; R376-D396 IonicContact NH2-OD2 3.36Å; R376-D396 PolarHBondContact NH2-OD2 3.3Å; P394-D396 PolarHBondContact O-N 3.07Å; D396-V398 VanDerWaalsContact C-N 3.29Å; D396-V398 PolarHBondContact O-N 3.1Å; D396-V398 PolarHBondContact OD1-N 2.91Å; D396-V398 VanDerWaalsContact OD1-N 3.16Å; D396-T399 WeakPolarHBondContact O-CB 3.48Å; D396-T399 PolarHBondContact O-N 3.26Å; D396-T399 VanDerWaalsContact O-N 3.13Å; D396-T399 PolarHBondContact OD1-N 2.72Å; D396-T399 PolarHBondContact OD1-OG1 3.18Å; D396-T399 VanDerWaalsContact OD1-OG1 3.13Å; D396-L400 PolarHBondContact O-N 3Å; D396-R427 WeakPolarHBondContact CB-O 3.46Å; D396-Y429 HydrophobicContact CB-CD2 4.46Å; D396-Y429 HydrophobicContact CB-CE2 3.83Å; D396-Y429 WeakPolarHBondContact OD2-CE2 3.37Å
397	H	93.3	Very high	88.6	Confident	99 Å²	99	29.7 Å²	29.7	46%	0.458	15%	0.146	S	C	.	.	H	α-helix	trans	-59.3	-32.3	176.7	66.8	-88.7	0	0	0	114	L400 K401	H397-L400 PolarHBondContact O-N 3.05Å; H397-K401 VanDerWaalsContact O-CB 3.3Å; H397-K401 WeakPolarHBondContact O-CB 3.12Å; H397-K401 PolarHBondContact O-N 3.39Å
398	V	91.4	Very high	89	Confident	13 Å²	13	26 Å²	26	8%	0.079	13%	0.126	C	C	.	.	H	α-helix	trans	-67.2	-40.8	175.4	179.3	0	0	0	0	110.3	D396 K401 H402	D396-V398 VanDerWaalsContact C-N 3.29Å; D396-V398 PolarHBondContact O-N 3.1Å; D396-V398 PolarHBondContact OD1-N 2.91Å; D396-V398 VanDerWaalsContact OD1-N 3.16Å; V398-K401 PolarHBondContact O-N 3.48Å; V398-H402 PolarHBondContact O-N 3.19Å
399	T	91.9	Very high	89.1	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	15%	0.146	C	C	.	.	H	α-helix	trans	-62.5	-45.3	174.3	-58	0	0	0	0	111.2	V395 D396 K401 H402 F403	V395-T399 HydrophobicContact CG1-CG2 4.11Å; D396-T399 WeakPolarHBondContact O-CB 3.48Å; D396-T399 PolarHBondContact O-N 3.26Å; D396-T399 VanDerWaalsContact O-N 3.13Å; D396-T399 PolarHBondContact OD1-N 2.72Å; D396-T399 PolarHBondContact OD1-OG1 3.18Å; D396-T399 VanDerWaalsContact OD1-OG1 3.13Å; T399-K401 PolarHBondContact O-N 2.87Å; T399-H402 WeakPolarHBondContact O-CB 3.4Å; T399-H402 PolarHBondContact O-N 2.95Å; T399-F403 HydrophobicContact CG2-CD2 3.95Å; T399-F403 HydrophobicContact CG2-CE2 3.92Å; T399-F403 VanDerWaalsContact O-CD2 3.29Å; T399-F403 WeakPolarHBondContact O-CD2 3.45Å; T399-F403 PolarHBondContact O-N 2.52Å; T399-F403 VanDerWaalsContact O-N 3.08Å
400	L	92.3	Very high	89.2	Confident	20 Å²	20	31 Å²	31	11%	0.105	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-45.9	174.7	-60.3	-176.5	0	0	0	112.3	D396 H397 H402 F403 K404 L413 L416 E417 F426	D396-L400 PolarHBondContact O-N 3Å; H397-L400 PolarHBondContact O-N 3.05Å; L400-H402 VanDerWaalsContact C-N 3.3Å; L400-H402 PolarHBondContact O-N 3.1Å; L400-F403 PolarHBondContact O-N 3.04Å; L400-F403 VanDerWaalsContact O-N 3.16Å; L400-K404 PolarHBondContact O-N 3.19Å; L400-L413 HydrophobicContact CD2-CD2 4.35Å; L400-L416 HydrophobicContact CD2-CD2 3.63Å; L400-E417 HydrophobicContact CD1-CB 4.12Å; L400-E417 HydrophobicContact CD1-CG 4.02Å; L400-E417 WeakPolarHBondContact CD1-OE2 3.36Å; L400-F426 HydrophobicContact CD1-CE2 3.66Å; L400-F426 HydrophobicContact CD1-CZ 3.91Å; L400-F426 HydrophobicContact CD2-CE2 4.42Å; L400-F426 HydrophobicContact CG-CE2 3.98Å
401	K	89.2	Confident	88.9	Confident	89 Å²	89	37.4 Å²	37.4	39%	0.387	18%	0.182	S	C	.	.	H	α-helix	trans	-59.2	-40.3	178.1	-175.2	-169.5	179.3	-138.5	0	111.8	H397 V398 T399 K405 E684	H397-K401 VanDerWaalsContact O-CB 3.3Å; H397-K401 WeakPolarHBondContact O-CB 3.12Å; H397-K401 PolarHBondContact O-N 3.39Å; V398-K401 PolarHBondContact O-N 3.48Å; T399-K401 PolarHBondContact O-N 2.87Å; K401-K405 PolarHBondContact O-N 3.28Å; K401-E684 WeakPolarHBondContact CE-OE2 3.45Å; K401-E684 IonicContact NZ-OE1 3.84Å; K401-E684 PolarHBondContact NZ-OE1 3.17Å; K401-E684 IonicContact NZ-OE2 2.62Å; K401-E684 PolarHBondContact NZ-OE2 3.13Å
402	H	86.2	Confident	88.8	Confident	17 Å²	17	40.5 Å²	40.5	8%	0.079	20%	0.196	C	C	.	.	H	α-helix	trans	-61.1	-50.8	173.5	-179.2	73.6	0	0	0	111	A373 V398 T399 L400 K404 K405 T406	A373-H402 HydrophobicContact CB-CB 3.85Å; V398-H402 PolarHBondContact O-N 3.19Å; T399-H402 WeakPolarHBondContact O-CB 3.4Å; T399-H402 PolarHBondContact O-N 2.95Å; L400-H402 VanDerWaalsContact C-N 3.3Å; L400-H402 PolarHBondContact O-N 3.1Å; H402-K404 VanDerWaalsContact C-N 3.34Å; H402-K404 PolarHBondContact O-N 2.9Å; H402-K405 PolarHBondContact O-N 3.4Å; H402-T406 VanDerWaalsContact O-CG2 3.29Å; H402-T406 WeakPolarHBondContact O-CG2 3.25Å; H402-T406 PolarHBondContact O-N 3.49Å; H402-T406 PolarHBondContact O-OG1 3.15Å
403	F	85.8	Confident	88.5	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.5	-29.8	-178.8	-80	-69.8	0	0	0	114.7	S269 V271 L297 T399 L400 T406 N407 F408 L413	S269-F403 WeakPolarHBondContact OG-CE1 3.17Å; S269-F403 WeakPolarHBondContact OG-CZ 3.45Å; V271-F403 HydrophobicContact CG2-CD2 3.82Å; V271-F403 HydrophobicContact CG2-CE1 4.23Å; V271-F403 HydrophobicContact CG2-CE2 3.2Å; V271-F403 HydrophobicContact CG2-CZ 3.44Å; V271-F403 VanDerWaalsContact CG2-CZ 3.44Å; L297-F403 HydrophobicContact CB-CE2 4.32Å; L297-F403 HydrophobicContact CD1-CE2 4.17Å; L297-F403 HydrophobicContact CD1-CZ 3.84Å; T399-F403 HydrophobicContact CG2-CD2 3.95Å; T399-F403 HydrophobicContact CG2-CE2 3.92Å; T399-F403 VanDerWaalsContact O-CD2 3.29Å; T399-F403 WeakPolarHBondContact O-CD2 3.45Å; T399-F403 PolarHBondContact O-N 2.52Å; T399-F403 VanDerWaalsContact O-N 3.08Å; L400-F403 PolarHBondContact O-N 3.04Å; L400-F403 VanDerWaalsContact O-N 3.16Å; F403-T406 VanDerWaalsContact CA-OG1 3.25Å; F403-T406 WeakPolarHBondContact CA-OG1 3.23Å; F403-T406 PolarHBondContact O-N 3.03Å; F403-T406 PolarHBondContact O-OG1 2.91Å; F403-T406 VanDerWaalsContact O-OG1 3.08Å; F403-N407 PolarHBondContact O-N 3.19Å; F403-F408 HydrophobicContact CB-CB 4.29Å; F403-F408 HydrophobicContact CB-CD2 3.72Å; F403-F408 HydrophobicContact CB-CE2 4.09Å; F403-F408 HydrophobicContact CB-CG 4Å; F403-F408 AromaticContact CD1-CD1 3.89Å; F403-F408 HydrophobicContact CD1-CD1 3.89Å; F403-F408 AromaticContact CD1-CD2 3.92Å; F403-F408 HydrophobicContact CD1-CD2 3.92Å; F403-F408 AromaticContact CD1-CE1 3.52Å; F403-F408 HydrophobicContact CD1-CE1 3.52Å; F403-F408 AromaticContact CD1-CE2 3.59Å; F403-F408 HydrophobicContact CD1-CE2 3.59Å; F403-F408 HydrophobicContact CD1-CG 4.04Å; F403-F408 AromaticContact CD1-CZ 3.34Å; F403-F408 HydrophobicContact CD1-CZ 3.34Å; F403-F408 HydrophobicContact CD2-CE2 4.35Å; F403-F408 AromaticContact CE1-CE1 3.81Å; F403-F408 HydrophobicContact CE1-CE1 3.81Å; F403-F408 HydrophobicContact CE1-CE2 4.09Å; F403-F408 AromaticContact CE1-CZ 3.5Å; F403-F408 HydrophobicContact CE1-CZ 3.5Å; F403-F408 AromaticContact CG-CD2 3.91Å; F403-F408 HydrophobicContact CG-CD2 3.91Å; F403-F408 HydrophobicContact CG-CE1 4.44Å; F403-F408 AromaticContact CG-CE2 3.74Å; F403-F408 HydrophobicContact CG-CE2 3.74Å; F403-F408 HydrophobicContact CG-CG 4.32Å; F403-F408 AromaticContact CG-CZ 3.99Å; F403-F408 HydrophobicContact CG-CZ 3.99Å; F403-F408 HydrophobicContact CZ-CZ 4.27Å; F403-F408 PolarHBondContact O-N 3.31Å; F403-F408 VanDerWaalsContact O-N 3.09Å; F403-L413 HydrophobicContact CB-CD2 3.83Å
404	K	86.7	Confident	88.3	Confident	120 Å²	120	47.1 Å²	47.1	52%	0.522	23%	0.227	S	C	.	.	H	α-helix	trans	-65.2	-33.3	173.3	-167.3	177.4	176.3	89.5	0	113.5	L400 H402 D410 L413	L400-K404 PolarHBondContact O-N 3.19Å; H402-K404 VanDerWaalsContact C-N 3.34Å; H402-K404 PolarHBondContact O-N 2.9Å; K404-D410 IonicContact NZ-OD1 2.74Å; K404-D410 PolarHBondContact NZ-OD1 3.29Å; K404-D410 IonicContact NZ-OD2 2.78Å; K404-D410 PolarHBondContact NZ-OD2 2.91Å; K404-L413 HydrophobicContact CB-CD1 3.56Å; K404-L413 HydrophobicContact CD-CD1 4.41Å; K404-L413 HydrophobicContact CG-CD1 3.81Å
405	K	77.7	Confident	88.1	Confident	56 Å²	56	48 Å²	48	24%	0.243	23%	0.232	C	C	.	.	H	α-helix	trans	-87.6	-13.5	-178.5	-69.3	-172.7	174.9	-171	0	114	K401 H402 E684 D685 S689	K401-K405 PolarHBondContact O-N 3.28Å; H402-K405 PolarHBondContact O-N 3.4Å; K405-E684 HydrophobicContact CD-CB 3.67Å; K405-E684 HydrophobicContact CD-CG 4.29Å; K405-E684 WeakPolarHBondContact CE-OE2 3.31Å; K405-E684 IonicContact NZ-OE2 3.87Å; K405-E684 PolarHBondContact NZ-OE2 3.36Å; K405-D685 WeakPolarHBondContact CE-OD1 3.25Å; K405-D685 IonicContact NZ-OD1 3.89Å; K405-D685 PolarHBondContact NZ-OD1 2.8Å; K405-S689 PolarHBondContact O-OG 3.38Å
406	T	72.9	Confident	88	Confident	15 Å²	15	47.9 Å²	47.9	9%	0.092	23%	0.231	C	C	.	.	H	α-helix	trans	-102.9	-69.8	-171.5	50	0	0	0	0	113.4	H402 F403 I688 F692	H402-T406 VanDerWaalsContact O-CG2 3.29Å; H402-T406 WeakPolarHBondContact O-CG2 3.25Å; H402-T406 PolarHBondContact O-N 3.49Å; H402-T406 PolarHBondContact O-OG1 3.15Å; F403-T406 VanDerWaalsContact CA-OG1 3.25Å; F403-T406 WeakPolarHBondContact CA-OG1 3.23Å; F403-T406 PolarHBondContact O-N 3.03Å; F403-T406 PolarHBondContact O-OG1 2.91Å; F403-T406 VanDerWaalsContact O-OG1 3.08Å; T406-I688 HydrophobicContact CG2-CG2 3.31Å; T406-F692 HydrophobicContact CG2-CD1 3.68Å; T406-F692 HydrophobicContact CG2-CD2 3.98Å; T406-F692 HydrophobicContact CG2-CE1 3.29Å; T406-F692 HydrophobicContact CG2-CE2 3.64Å; T406-F692 HydrophobicContact CG2-CG 3.98Å; T406-F692 HydrophobicContact CG2-CZ 3.24Å
407	N	72.6	Confident	88	Confident	38 Å²	38	50.7 Å²	50.7	20%	0.203	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-153.4	-9	-165.2	63.5	4.4	0	0	0	116.7	E266 F403 F692 R696	E266-N407 PolarHBondContact O-ND2 2.85Å; F403-N407 PolarHBondContact O-N 3.19Å; N407-F692 HydrophobicContact CB-CD1 4.49Å; N407-R696 VanDerWaalsContact CB-NH2 3.32Å
408	F	83.1	Confident	88.1	Confident	16 Å²	16	48.6 Å²	48.6	7%	0.07	24%	0.241	C	C	.	.			trans	-92.5	143.6	178.8	-68.6	9.8	0	0	0	110.8	R270 V271 F403 K412 L413 L416	R270-F408 WeakPolarHBondContact O-CE2 3.46Å; R270-F408 VanDerWaalsContact O-CZ 3.3Å; R270-F408 WeakPolarHBondContact O-CZ 3.3Å; V271-F408 HydrophobicContact CB-CE2 4.49Å; V271-F408 HydrophobicContact CG2-CE2 4.17Å; V271-F408 HydrophobicContact CG2-CZ 4.3Å; F403-F408 HydrophobicContact CB-CB 4.29Å; F403-F408 HydrophobicContact CB-CD2 3.72Å; F403-F408 HydrophobicContact CB-CE2 4.09Å; F403-F408 HydrophobicContact CB-CG 4Å; F403-F408 AromaticContact CD1-CD1 3.89Å; F403-F408 HydrophobicContact CD1-CD1 3.89Å; F403-F408 AromaticContact CD1-CD2 3.92Å; F403-F408 HydrophobicContact CD1-CD2 3.92Å; F403-F408 AromaticContact CD1-CE1 3.52Å; F403-F408 HydrophobicContact CD1-CE1 3.52Å; F403-F408 AromaticContact CD1-CE2 3.59Å; F403-F408 HydrophobicContact CD1-CE2 3.59Å; F403-F408 HydrophobicContact CD1-CG 4.04Å; F403-F408 AromaticContact CD1-CZ 3.34Å; F403-F408 HydrophobicContact CD1-CZ 3.34Å; F403-F408 HydrophobicContact CD2-CE2 4.35Å; F403-F408 AromaticContact CE1-CE1 3.81Å; F403-F408 HydrophobicContact CE1-CE1 3.81Å; F403-F408 HydrophobicContact CE1-CE2 4.09Å; F403-F408 AromaticContact CE1-CZ 3.5Å; F403-F408 HydrophobicContact CE1-CZ 3.5Å; F403-F408 AromaticContact CG-CD2 3.91Å; F403-F408 HydrophobicContact CG-CD2 3.91Å; F403-F408 HydrophobicContact CG-CE1 4.44Å; F403-F408 AromaticContact CG-CE2 3.74Å; F403-F408 HydrophobicContact CG-CE2 3.74Å; F403-F408 HydrophobicContact CG-CG 4.32Å; F403-F408 AromaticContact CG-CZ 3.99Å; F403-F408 HydrophobicContact CG-CZ 3.99Å; F403-F408 HydrophobicContact CZ-CZ 4.27Å; F403-F408 PolarHBondContact O-N 3.31Å; F403-F408 VanDerWaalsContact O-N 3.09Å; F408-K412 HydrophobicContact CB-CB 4.43Å; F408-K412 HydrophobicContact CB-CD 4.19Å; F408-K412 HydrophobicContact CB-CG 4.5Å; F408-K412 HydrophobicContact CD1-CD 3.95Å; F408-K412 HydrophobicContact CD2-CD 3.88Å; F408-K412 HydrophobicContact CD2-CG 4.16Å; F408-K412 HydrophobicContact CE1-CD 4.43Å; F408-K412 HydrophobicContact CE2-CD 4.33Å; F408-K412 HydrophobicContact CG-CD 3.71Å; F408-K412 HydrophobicContact CG-CG 4.3Å; F408-L413 HydrophobicContact CB-CD2 4.06Å; F408-L413 HydrophobicContact CB-CG 4.04Å; F408-L413 HydrophobicContact CD2-CD2 4.05Å; F408-L416 HydrophobicContact CD2-CD1 4.05Å; F408-L416 HydrophobicContact CE2-CD1 3.73Å
409	T	87.4	Confident	88.3	Confident	81 Å²	81	48 Å²	48	50%	0.497	24%	0.237	S	C	.	.			trans	-80.5	163.8	170.7	70.5	0	0	0	0	110	E411 K412 L413	T409-E411 VanDerWaalsContact C-N 3.31Å; T409-E411 WeakPolarHBondContact CB-OE2 3.41Å; T409-E411 PolarHBondContact O-N 2.93Å; T409-E411 PolarHBondContact OG1-OE2 2.94Å; T409-K412 PolarHBondContact O-N 3.44Å; T409-K412 VanDerWaalsContact O-N 3.15Å; T409-K412 PolarHBondContact OG1-N 3.1Å; T409-L413 WeakPolarHBondContact O-CG 3.29Å; T409-L413 PolarHBondContact O-N 2.98Å; T409-L413 VanDerWaalsContact O-N 3.08Å
410	D	89.9	Confident	88.5	Confident	78 Å²	78	48 Å²	48	42%	0.417	24%	0.237	S	C	.	.	H	α-helix	trans	-63.7	-37.2	-178.3	-75.8	-23	0	0	0	111.9	K404 K412 L413 E414	K404-D410 IonicContact NZ-OD1 2.74Å; K404-D410 PolarHBondContact NZ-OD1 3.29Å; K404-D410 IonicContact NZ-OD2 2.78Å; K404-D410 PolarHBondContact NZ-OD2 2.91Å; D410-K412 VanDerWaalsContact C-N 3.3Å; D410-K412 PolarHBondContact O-N 3.5Å; D410-L413 PolarHBondContact O-N 2.64Å; D410-L413 VanDerWaalsContact O-N 3.13Å; D410-E414 WeakPolarHBondContact O-CG 3.28Å; D410-E414 PolarHBondContact O-N 2.79Å
411	E	89.4	Confident	88.6	Confident	133 Å²	133	52.1 Å²	52.1	62%	0.621	25%	0.254	S	S	*	.	H	α-helix	trans	-62.8	-37.3	175.2	-45.9	82.9	176.9	0	0	111.7	T409 L415	T409-E411 VanDerWaalsContact C-N 3.31Å; T409-E411 WeakPolarHBondContact CB-OE2 3.41Å; T409-E411 PolarHBondContact O-N 2.93Å; T409-E411 PolarHBondContact OG1-OE2 2.94Å; E411-L415 WeakPolarHBondContact O-CB 3.5Å; E411-L415 PolarHBondContact O-N 2.92Å
412	K	89.9	Confident	88.9	Confident	65 Å²	65	49 Å²	49	28%	0.283	25%	0.245	S	C	.	.	H	α-helix	trans	-69.8	-34	177	-173.2	179.3	176.6	-161.2	0	111.8	F408 T409 D410 L416	F408-K412 HydrophobicContact CB-CB 4.43Å; F408-K412 HydrophobicContact CB-CD 4.19Å; F408-K412 HydrophobicContact CB-CG 4.5Å; F408-K412 HydrophobicContact CD1-CD 3.95Å; F408-K412 HydrophobicContact CD2-CD 3.88Å; F408-K412 HydrophobicContact CD2-CG 4.16Å; F408-K412 HydrophobicContact CE1-CD 4.43Å; F408-K412 HydrophobicContact CE2-CD 4.33Å; F408-K412 HydrophobicContact CG-CD 3.71Å; F408-K412 HydrophobicContact CG-CG 4.3Å; T409-K412 PolarHBondContact O-N 3.44Å; T409-K412 VanDerWaalsContact O-N 3.15Å; T409-K412 PolarHBondContact OG1-N 3.1Å; D410-K412 VanDerWaalsContact C-N 3.3Å; D410-K412 PolarHBondContact O-N 3.5Å; K412-L416 VanDerWaalsContact O-CB 3.22Å; K412-L416 WeakPolarHBondContact O-CB 3.48Å; K412-L416 PolarHBondContact O-N 3.31Å
413	L	92.8	Very high	89.3	Confident	13 Å²	13	48.3 Å²	48.3	7%	0.068	24%	0.242	C	C	.	.	H	α-helix	trans	-70.6	-43	176.4	-69	167.1	0	0	0	111.3	L400 F403 K404 F408 T409 D410 L416 E417	L400-L413 HydrophobicContact CD2-CD2 4.35Å; F403-L413 HydrophobicContact CB-CD2 3.83Å; K404-L413 HydrophobicContact CB-CD1 3.56Å; K404-L413 HydrophobicContact CD-CD1 4.41Å; K404-L413 HydrophobicContact CG-CD1 3.81Å; F408-L413 HydrophobicContact CB-CD2 4.06Å; F408-L413 HydrophobicContact CB-CG 4.04Å; F408-L413 HydrophobicContact CD2-CD2 4.05Å; T409-L413 WeakPolarHBondContact O-CG 3.29Å; T409-L413 PolarHBondContact O-N 2.98Å; T409-L413 VanDerWaalsContact O-N 3.08Å; D410-L413 PolarHBondContact O-N 2.64Å; D410-L413 VanDerWaalsContact O-N 3.13Å; L413-L416 PolarHBondContact O-N 3.32Å; L413-E417 WeakPolarHBondContact O-CB 3.5Å; L413-E417 PolarHBondContact O-N 3.05Å
414	E	93	Very high	89.7	Confident	129 Å²	129	50.1 Å²	50.1	60%	0.603	25%	0.252	S	S	*	.	H	α-helix	trans	-60.7	-44.1	175.1	-72.3	176	-177	0	0	111.7	D410 S418	D410-E414 WeakPolarHBondContact O-CG 3.28Å; D410-E414 PolarHBondContact O-N 2.79Å; E414-S418 WeakPolarHBondContact O-CB 3.36Å; E414-S418 PolarHBondContact O-N 2.8Å; E414-S418 PolarHBondContact O-OG 3.19Å
415	L	92.7	Very high	90.1	Very high	23 Å²	23	44.8 Å²	44.8	12%	0.12	23%	0.229	C	C	.	.	H	α-helix	trans	-61.6	-45.9	174.4	176.2	62.6	0	0	0	112.2	L19 I23 I279 E411 Y419	L19-L415 HydrophobicContact CD1-CD1 3.66Å; I23-L415 HydrophobicContact CD1-CD1 3.98Å; I23-L415 HydrophobicContact CD1-CD2 3.74Å; I279-L415 HydrophobicContact CD1-CD1 4.12Å; I279-L415 HydrophobicContact CD1-CD2 4.24Å; I279-L415 HydrophobicContact CD1-CG 3.94Å; E411-L415 WeakPolarHBondContact O-CB 3.5Å; E411-L415 PolarHBondContact O-N 2.92Å; L415-Y419 VanDerWaalsContact O-CB 3.31Å; L415-Y419 WeakPolarHBondContact O-CB 3.49Å; L415-Y419 PolarHBondContact O-N 3.19Å
416	L	94	Very high	90.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62.1	-49.6	178.6	-179.2	174.3	0	0	0	111.1	V271 V272 V395 L400 F408 K412 L413 Y419 M420	V271-L416 HydrophobicContact CB-CD1 3.77Å; V271-L416 HydrophobicContact CB-CG 4.42Å; V271-L416 HydrophobicContact CG1-CD1 3.87Å; V271-L416 HydrophobicContact CG1-CD2 4.23Å; V271-L416 HydrophobicContact CG1-CG 4.14Å; V271-L416 HydrophobicContact CG2-CD1 4.3Å; V272-L416 HydrophobicContact CG1-CG 4.09Å; V272-L416 HydrophobicContact CG2-CB 4.07Å; V272-L416 HydrophobicContact CG2-CG 4.14Å; V395-L416 HydrophobicContact CG1-CD2 4.12Å; L400-L416 HydrophobicContact CD2-CD2 3.63Å; F408-L416 HydrophobicContact CD2-CD1 4.05Å; F408-L416 HydrophobicContact CE2-CD1 3.73Å; K412-L416 VanDerWaalsContact O-CB 3.22Å; K412-L416 WeakPolarHBondContact O-CB 3.48Å; K412-L416 PolarHBondContact O-N 3.31Å; L413-L416 PolarHBondContact O-N 3.32Å; L416-Y419 PolarHBondContact O-N 2.8Å; L416-M420 HydrophobicContact CD2-CG 3.98Å; L416-M420 WeakPolarHBondContact O-CB 3.16Å; L416-M420 VanDerWaalsContact O-CG 3.3Å; L416-M420 WeakPolarHBondContact O-CG 3.44Å; L416-M420 PolarHBondContact O-N 3.36Å
417	E	95.3	Very high	91.9	Very high	58 Å²	58	43.2 Å²	43.2	27%	0.271	22%	0.221	S	C	.	.	H	α-helix	trans	-63.8	-43.9	179.7	-174.8	174.8	176.2	0	0	111.2	L400 L413 M420 K421 F426	L400-E417 HydrophobicContact CD1-CB 4.12Å; L400-E417 HydrophobicContact CD1-CG 4.02Å; L400-E417 WeakPolarHBondContact CD1-OE2 3.36Å; L413-E417 WeakPolarHBondContact O-CB 3.5Å; L413-E417 PolarHBondContact O-N 3.05Å; E417-M420 PolarHBondContact O-N 3.13Å; E417-K421 HydrophobicContact CG-CD 4.12Å; E417-K421 WeakPolarHBondContact O-CB 3.28Å; E417-K421 WeakPolarHBondContact O-CG 3.43Å; E417-K421 PolarHBondContact O-N 3.22Å; E417-K421 WeakPolarHBondContact OE1-CE 3.35Å; E417-K421 IonicContact OE1-NZ 3.1Å; E417-K421 PolarHBondContact OE1-NZ 2.91Å; E417-F426 HydrophobicContact CG-CD2 4.46Å; E417-F426 HydrophobicContact CG-CE2 4.25Å; E417-F426 HydrophobicContact CG-CZ 4.47Å
418	S	94.9	Very high	92.7	Very high	55 Å²	55	42.9 Å²	42.9	39%	0.385	22%	0.221	S	C	.	.	H	α-helix	trans	-61.5	-45.4	177	-61.8	0	0	0	0	111.9	E414 A422	E414-S418 WeakPolarHBondContact O-CB 3.36Å; E414-S418 PolarHBondContact O-N 2.8Å; E414-S418 PolarHBondContact O-OG 3.19Å; S418-A422 VanDerWaalsContact O-CB 3.31Å; S418-A422 WeakPolarHBondContact O-CB 3.21Å; S418-A422 PolarHBondContact O-N 2.9Å
419	Y	96.4	Very high	92.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.5	-54.5	174.8	173.3	-106.7	0	0	0	111.8	L19 F25 V272 I279 Y280 P281 L415 L416 K421 A422 V423	L19-Y419 HydrophobicContact CD1-CD2 4.35Å; F25-Y419 HydrophobicContact CB-CD2 4.16Å; F25-Y419 HydrophobicContact CB-CE2 3.72Å; F25-Y419 HydrophobicContact CD2-CD2 4.19Å; F25-Y419 AromaticContact CD2-CE2 3.83Å; F25-Y419 HydrophobicContact CD2-CE2 3.83Å; F25-Y419 HydrophobicContact CG-CD2 4.13Å; F25-Y419 AromaticContact CG-CE2 3.94Å; F25-Y419 HydrophobicContact CG-CE2 3.94Å; V272-Y419 HydrophobicContact CG1-CD1 3.5Å; V272-Y419 HydrophobicContact CG1-CE1 4.07Å; V272-Y419 HydrophobicContact CG1-CG 4.42Å; I279-Y419 HydrophobicContact CB-CD2 4.47Å; I279-Y419 HydrophobicContact CD1-CD1 4.33Å; I279-Y419 HydrophobicContact CD1-CD2 4.37Å; I279-Y419 HydrophobicContact CD1-CG 3.9Å; I279-Y419 HydrophobicContact CG1-CD1 4.21Å; I279-Y419 HydrophobicContact CG1-CD2 4.11Å; I279-Y419 HydrophobicContact CG1-CG 3.96Å; I279-Y419 HydrophobicContact CG2-CD2 3.62Å; I279-Y419 HydrophobicContact CG2-CE2 4.04Å; I279-Y419 HydrophobicContact CG2-CG 4.23Å; Y280-Y419 WeakPolarHBondContact CA-OH 3.31Å; P281-Y419 VanDerWaalsContact CD-OH 3.27Å; P281-Y419 WeakPolarHBondContact CD-OH 3.29Å; P281-Y419 HydrophobicContact CG-CE1 4.19Å; L415-Y419 VanDerWaalsContact O-CB 3.31Å; L415-Y419 WeakPolarHBondContact O-CB 3.49Å; L415-Y419 PolarHBondContact O-N 3.19Å; L416-Y419 PolarHBondContact O-N 2.8Å; Y419-K421 VanDerWaalsContact C-N 3.26Å; Y419-K421 PolarHBondContact O-N 3.42Å; Y419-A422 WeakPolarHBondContact O-CB 3.41Å; Y419-A422 PolarHBondContact O-N 2.76Å; Y419-V423 HydrophobicContact CD1-CG2 4.48Å; Y419-V423 HydrophobicContact CD2-CG1 4.34Å; Y419-V423 HydrophobicContact CE1-CG2 3.96Å; Y419-V423 HydrophobicContact CE2-CG1 3.65Å; Y419-V423 HydrophobicContact CE2-CG2 4.16Å; Y419-V423 WeakPolarHBondContact O-CG2 3.32Å; Y419-V423 PolarHBondContact O-N 3.44Å
420	M	95.9	Very high	92.4	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-62.7	-33	-176	-69.7	-60.4	-166.4	0	0	112.1	V271 V272 P281 V395 L416 E417 N424 L425 F426	V271-M420 HydrophobicContact CG1-CE 3.89Å; V271-M420 WeakPolarHBondContact O-CE 3.47Å; V272-M420 HydrophobicContact CG1-CE 3.72Å; V272-M420 HydrophobicContact CG1-CG 4.48Å; V272-M420 HydrophobicContact CG1-SD 4.49Å; P281-M420 HydrophobicContact CB-CE 4.43Å; V395-M420 HydrophobicContact CG2-CE 4.23Å; L416-M420 HydrophobicContact CD2-CG 3.98Å; L416-M420 WeakPolarHBondContact O-CB 3.16Å; L416-M420 VanDerWaalsContact O-CG 3.3Å; L416-M420 WeakPolarHBondContact O-CG 3.44Å; L416-M420 PolarHBondContact O-N 3.36Å; E417-M420 PolarHBondContact O-N 3.13Å; M420-N424 PolarHBondContact O-N 3.16Å; M420-L425 HydrophobicContact CB-CB 4.45Å; M420-L425 PolarHBondContact O-N 3.11Å; M420-L425 HydrophobicContact SD-CB 3.63Å; M420-L425 HydrophobicContact SD-CD1 3.91Å; M420-L425 HydrophobicContact SD-CG 4.43Å; M420-F426 HydrophobicContact CB-CB 3.85Å; M420-F426 HydrophobicContact CB-CD2 4.42Å; M420-F426 PolarHBondContact O-N 2.6Å
421	K	94.6	Very high	91.8	Very high	105 Å²	105	48.7 Å²	48.7	46%	0.457	24%	0.24	S	C	.	.	H	α-helix	trans	-69.7	-42.9	170.4	-73.3	178.3	-176.6	175.1	0	112.3	E417 Y419 V423 N424 F426	E417-K421 HydrophobicContact CG-CD 4.12Å; E417-K421 WeakPolarHBondContact O-CB 3.28Å; E417-K421 WeakPolarHBondContact O-CG 3.43Å; E417-K421 PolarHBondContact O-N 3.22Å; E417-K421 WeakPolarHBondContact OE1-CE 3.35Å; E417-K421 IonicContact OE1-NZ 3.1Å; E417-K421 PolarHBondContact OE1-NZ 2.91Å; Y419-K421 VanDerWaalsContact C-N 3.26Å; Y419-K421 PolarHBondContact O-N 3.42Å; K421-V423 VanDerWaalsContact C-N 3.31Å; K421-V423 PolarHBondContact O-N 3.45Å; K421-N424 PolarHBondContact O-N 3.26Å; K421-N424 VanDerWaalsContact O-N 3.12Å; K421-F426 HydrophobicContact CG-CB 3.75Å; K421-F426 HydrophobicContact CG-CD1 4.06Å; K421-F426 HydrophobicContact CG-CG 4Å
422	A	94.8	Very high	91.2	Very high	25 Å²	25	46.8 Å²	46.8	21%	0.207	24%	0.241	C	C	.	.	H	α-helix	trans	-58.9	-42	179.6	0	0	0	0	0	112.3	L19 F25 R29 S418 Y419	L19-A422 HydrophobicContact CD2-CB 4.23Å; F25-A422 HydrophobicContact CE2-CB 3.94Å; F25-A422 HydrophobicContact CZ-CB 3.7Å; R29-A422 WeakPolarHBondContact CD-O 3.34Å; S418-A422 VanDerWaalsContact O-CB 3.31Å; S418-A422 WeakPolarHBondContact O-CB 3.21Å; S418-A422 PolarHBondContact O-N 2.9Å; Y419-A422 WeakPolarHBondContact O-CB 3.41Å; Y419-A422 PolarHBondContact O-N 2.76Å
423	V	95.2	Very high	90.7	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	11	176.1	-57.5	0	0	0	0	114.6	F25 Y36 Y419 K421 L425	F25-V423 HydrophobicContact CD2-CG1 3.5Å; F25-V423 HydrophobicContact CE2-CG1 3.6Å; Y36-V423 PolarHBondContact OH-O 2.92Å; Y419-V423 HydrophobicContact CD1-CG2 4.48Å; Y419-V423 HydrophobicContact CD2-CG1 4.34Å; Y419-V423 HydrophobicContact CE1-CG2 3.96Å; Y419-V423 HydrophobicContact CE2-CG1 3.65Å; Y419-V423 HydrophobicContact CE2-CG2 4.16Å; Y419-V423 WeakPolarHBondContact O-CG2 3.32Å; Y419-V423 PolarHBondContact O-N 3.44Å; K421-V423 VanDerWaalsContact C-N 3.31Å; K421-V423 PolarHBondContact O-N 3.45Å; V423-L425 VanDerWaalsContact C-N 3.34Å; V423-L425 HydrophobicContact CG2-CB 4.07Å; V423-L425 HydrophobicContact CG2-CD1 3.7Å; V423-L425 HydrophobicContact CG2-CG 3.83Å; V423-L425 PolarHBondContact O-N 2.8Å
424	N	94.1	Very high	90.1	Very high	38 Å²	38	51.1 Å²	51.1	20%	0.203	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	45.3	178.5	-156	2.4	0	0	0	113.8	Y36 D37 R44 M420 K421	Y36-N424 HydrophobicContact CE1-CB 4.22Å; D37-N424 PolarHBondContact OD1-ND2 2.71Å; R44-N424 WeakPolarHBondContact CD-O 3.36Å; R44-N424 PolarHBondContact NH1-ND2 3.15Å; R44-N424 VanDerWaalsContact NH1-ND2 3.13Å; R44-N424 PolarHBondContact NH1-O 2.99Å; R44-N424 PolarHBondContact NH1-OD1 3.17Å; M420-N424 PolarHBondContact O-N 3.16Å; K421-N424 PolarHBondContact O-N 3.26Å; K421-N424 VanDerWaalsContact O-N 3.12Å
425	L	95.7	Very high	89.9	Confident	8 Å²	8	47.4 Å²	47.4	4%	0.042	26%	0.258	C	S	.	.			trans	-113.6	-9.5	172.6	-74.3	179.7	0	0	0	113.5	L41 R44 I45 P281 M420 V423	L41-L425 HydrophobicContact CB-CD2 4.26Å; L41-L425 HydrophobicContact CG-CD2 4.38Å; R44-L425 HydrophobicContact CB-CD2 3.61Å; I45-L425 HydrophobicContact CG1-CD1 3.97Å; I45-L425 HydrophobicContact CG1-CD2 3.91Å; P281-L425 HydrophobicContact CB-CD1 4.36Å; P281-L425 HydrophobicContact CG-CD1 3.7Å; M420-L425 HydrophobicContact CB-CB 4.45Å; M420-L425 PolarHBondContact O-N 3.11Å; M420-L425 HydrophobicContact SD-CB 3.63Å; M420-L425 HydrophobicContact SD-CD1 3.91Å; M420-L425 HydrophobicContact SD-CG 4.43Å; V423-L425 VanDerWaalsContact C-N 3.34Å; V423-L425 HydrophobicContact CG2-CB 4.07Å; V423-L425 HydrophobicContact CG2-CD1 3.7Å; V423-L425 HydrophobicContact CG2-CG 3.83Å; V423-L425 PolarHBondContact O-N 2.8Å
426	F	95.1	Very high	89.9	Confident	31 Å²	31	46.8 Å²	46.8	14%	0.136	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-83.2	140.2	171.4	-167.7	-97.2	0	0	0	110.4	V395 L400 E417 M420 K421	V395-F426 HydrophobicContact CG1-CD2 4.11Å; V395-F426 HydrophobicContact CG1-CE2 4.37Å; V395-F426 CarbonylContact O-C 3.4Å; V395-F426 WeakPolarHBondContact O-CA 3.27Å; L400-F426 HydrophobicContact CD1-CE2 3.66Å; L400-F426 HydrophobicContact CD1-CZ 3.91Å; L400-F426 HydrophobicContact CD2-CE2 4.42Å; L400-F426 HydrophobicContact CG-CE2 3.98Å; E417-F426 HydrophobicContact CG-CD2 4.46Å; E417-F426 HydrophobicContact CG-CE2 4.25Å; E417-F426 HydrophobicContact CG-CZ 4.47Å; M420-F426 HydrophobicContact CB-CB 3.85Å; M420-F426 HydrophobicContact CB-CD2 4.42Å; M420-F426 PolarHBondContact O-N 2.6Å; K421-F426 HydrophobicContact CG-CB 3.75Å; K421-F426 HydrophobicContact CG-CD1 4.06Å; K421-F426 HydrophobicContact CG-CG 4Å
427	R	92.3	Very high	89.9	Confident	8 Å²	8	50.7 Å²	50.7	3%	0.03	27%	0.274	C	S	.	.			trans	-118.1	129.1	-170.5	-173.5	67.3	-155.3	175.7	-1.7	114.2	L41 P394 V395 D396 Y429 E434 D435	L41-R427 HydrophobicContact CD2-CB 4.5Å; P394-R427 HydrophobicContact CB-CB 3.79Å; P394-R427 HydrophobicContact CB-CG 4.19Å; V395-R427 PolarHBondContact O-N 3.38Å; D396-R427 WeakPolarHBondContact CB-O 3.46Å; R427-Y429 HydrophobicContact CG-CD1 3.89Å; R427-Y429 HydrophobicContact CG-CD2 4.36Å; R427-Y429 HydrophobicContact CG-CE1 3.48Å; R427-Y429 VanDerWaalsContact CG-CE1 3.48Å; R427-Y429 HydrophobicContact CG-CE2 4.01Å; R427-Y429 HydrophobicContact CG-CG 4.31Å; R427-E434 IonicContact CZ-OE2 3.26Å; R427-E434 PolarHBondContact NH1-O 3.05Å; R427-E434 IonicContact NH1-OE2 2.89Å; R427-E434 VanDerWaalsContact NH2-C 3.27Å; R427-D435 IonicContact CZ-OD1 3.55Å; R427-D435 VanDerWaalsContact NH2-CA 3.33Å; R427-D435 VanDerWaalsContact NH2-N 3.14Å; R427-D435 IonicContact NH2-OD1 2.87Å; R427-D435 PolarHBondContact NH2-OD1 3.24Å
428	S	89.2	Confident	90	Very high	30 Å²	30	49.1 Å²	49.1	21%	0.21	27%	0.266	C	S	.	.			trans	-95.4	134.6	155.6	-173	0	0	0	0	110.2	E430 E434	S428-E430 PolarHBondContact OG-N 2.89Å; S428-E434 PolarHBondContact N-OE2 2.78Å
429	Y	87	Confident	90	Very high	14 Å²	14	48.2 Å²	48.2	6%	0.055	26%	0.259	C	S	.	.	S	Bend	trans	-97.9	1.2	172.5	-62.1	-71.3	0	0	0	112.6	V368 P394 D396 R427	V368-Y429 HydrophobicContact CB-CD1 4.09Å; V368-Y429 HydrophobicContact CB-CD2 4.16Å; V368-Y429 HydrophobicContact CB-CE1 3.98Å; V368-Y429 HydrophobicContact CB-CE2 4.05Å; V368-Y429 HydrophobicContact CB-CG 4.18Å; V368-Y429 HydrophobicContact CG1-CD2 4.23Å; V368-Y429 HydrophobicContact CG1-CE1 3.98Å; V368-Y429 HydrophobicContact CG1-CE2 3.64Å; V368-Y429 HydrophobicContact CG2-CD1 4.39Å; V368-Y429 HydrophobicContact CG2-CE1 4.18Å; P394-Y429 WeakPolarHBondContact CD-OH 3.2Å; P394-Y429 PolarHBondContact O-OH 3.43Å; D396-Y429 HydrophobicContact CB-CD2 4.46Å; D396-Y429 HydrophobicContact CB-CE2 3.83Å; D396-Y429 WeakPolarHBondContact OD2-CE2 3.37Å; R427-Y429 HydrophobicContact CG-CD1 3.89Å; R427-Y429 HydrophobicContact CG-CD2 4.36Å; R427-Y429 HydrophobicContact CG-CE1 3.48Å; R427-Y429 VanDerWaalsContact CG-CE1 3.48Å; R427-Y429 HydrophobicContact CG-CE2 4.01Å; R427-Y429 HydrophobicContact CG-CG 4.31Å
430	E	77.3	Confident	90	Very high	178 Å²	178	52.8 Å²	52.8	83%	0.832	28%	0.281	S	S	*	.	S	Bend	trans	-86.1	-29	176.1	-60.3	-178.1	-176.5	0	0	111.5	S428	S428-E430 PolarHBondContact OG-N 2.89Å
431	E	77.3	Confident	90	Very high	105 Å²	105	56.5 Å²	56.5	49%	0.491	30%	0.304	S	S	.	.			trans	-100.6	93.9	-176.3	-66	-169.2	-141.5	0	0	112.1	S433 E434	E431-S433 PolarHBondContact O-N 2.75Å; E431-S433 VanDerWaalsContact O-N 3.14Å; E431-E434 HydrophobicContact CB-CG 4.04Å; E431-E434 PolarHBondContact O-N 2.79Å
432	S	78.6	Confident	90	Very high	94 Å²	94	53 Å²	53	66%	0.657	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-62.7	-17.7	175.4	59	0	0	0	0	113.8	E434 D435	S432-E434 PolarHBondContact O-N 3.23Å; S432-D435 VanDerWaalsContact O-CB 3.31Å; S432-D435 WeakPolarHBondContact O-CB 3.4Å; S432-D435 PolarHBondContact O-N 3.48Å; S432-D435 VanDerWaalsContact O-N 3.11Å
433	S	78.8	Confident	90.1	Very high	105 Å²	105	57.3 Å²	57.3	73%	0.734	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-62.5	-22.9	170.8	35.8	0	0	0	0	113.7	E431	E431-S433 PolarHBondContact O-N 2.75Å; E431-S433 VanDerWaalsContact O-N 3.14Å
434	E	79.3	Confident	90	Very high	63 Å²	63	57.4 Å²	57.4	29%	0.294	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-84.1	-11.2	174.7	-58.2	-171.1	153.4	0	0	112.5	R427 S428 E431 S432	R427-E434 IonicContact CZ-OE2 3.26Å; R427-E434 PolarHBondContact NH1-O 3.05Å; R427-E434 IonicContact NH1-OE2 2.89Å; R427-E434 VanDerWaalsContact NH2-C 3.27Å; S428-E434 PolarHBondContact N-OE2 2.78Å; E431-E434 HydrophobicContact CB-CG 4.04Å; E431-E434 PolarHBondContact O-N 2.79Å; S432-E434 PolarHBondContact O-N 3.23Å
435	D	89.4	Confident	89.9	Confident	52 Å²	52	59.1 Å²	59.1	28%	0.278	32%	0.315	S	S	.	.			trans	-56.3	125.7	-171	-78.1	-14.5	0	0	0	112.5	F364 R427 S432	F364-D435 HydrophobicContact CD2-CB 4.4Å; F364-D435 WeakPolarHBondContact CD2-OD1 3.49Å; F364-D435 HydrophobicContact CE2-CB 4.38Å; F364-D435 WeakPolarHBondContact CE2-OD2 3.48Å; R427-D435 IonicContact CZ-OD1 3.55Å; R427-D435 VanDerWaalsContact NH2-CA 3.33Å; R427-D435 VanDerWaalsContact NH2-N 3.14Å; R427-D435 IonicContact NH2-OD1 2.87Å; R427-D435 PolarHBondContact NH2-OD1 3.24Å; S432-D435 VanDerWaalsContact O-CB 3.31Å; S432-D435 WeakPolarHBondContact O-CB 3.4Å; S432-D435 PolarHBondContact O-N 3.48Å; S432-D435 VanDerWaalsContact O-N 3.11Å
436	P	91.9	Very high	89.7	Confident	10 Å²	10	58.7 Å²	58.7	7%	0.065	31%	0.313	C	S	.	.			trans	-63.7	160.2	176.8	-23.4	34	0	0	0	114.1	P40 L41 F438	P40-P436 HydrophobicContact CB-CB 4.48Å; L41-P436 HydrophobicContact CD1-CG 3.54Å; P436-F438 HydrophobicContact CB-CE1 4Å; P436-F438 HydrophobicContact CB-CE2 4.23Å; P436-F438 HydrophobicContact CB-CZ 3.82Å; P436-F438 HydrophobicContact CG-CE1 4.3Å; P436-F438 HydrophobicContact CG-CE2 4.49Å; P436-F438 HydrophobicContact CG-CZ 3.86Å; P436-F438 WeakPolarHBondContact O-CD2 3.24Å; P436-F438 WeakPolarHBondContact O-CE2 3.4Å; P436-F438 PolarHBondContact O-N 3.13Å
437	Q	94.8	Very high	89.4	Confident	82 Å²	82	59.9 Å²	59.9	38%	0.383	33%	0.325	S	S	.	.			trans	-85.8	101.5	170.1	-62.9	-164.1	-8.2	0	0	109.9	K38 W70	K38-Q437 HydrophobicContact CB-CB 4.42Å; K38-Q437 HydrophobicContact CB-CG 4.09Å; K38-Q437 HydrophobicContact CG-CG 4.37Å; K38-Q437 PolarHBondContact O-N 2.89Å; W70-Q437 WeakPolarHBondContact CH2-O 3.31Å; W70-Q437 WeakPolarHBondContact CZ3-O 3.43Å
438	F	96.8	Very high	89.1	Confident	25 Å²	25	62.7 Å²	62.7	11%	0.11	35%	0.346	C	S	.	.			trans	-81.6	161.3	175.3	-57.1	-68.9	0	0	0	112.2	P40 V325 G327 E362 F364 P436 E440 V441	P40-F438 HydrophobicContact CB-CD1 4.26Å; P40-F438 HydrophobicContact CB-CE1 4.08Å; P40-F438 HydrophobicContact CG-CD1 4.05Å; P40-F438 HydrophobicContact CG-CE1 4.32Å; V325-F438 HydrophobicContact CG1-CD1 3.97Å; V325-F438 HydrophobicContact CG1-CE1 4.37Å; G327-F438 VanDerWaalsContact CA-CG 3.42Å; E362-F438 HydrophobicContact CB-CE1 3.81Å; E362-F438 HydrophobicContact CG-CE1 3.99Å; E362-F438 HydrophobicContact CG-CZ 4.46Å; F364-F438 HydrophobicContact CB-CZ 4.37Å; F364-F438 HydrophobicContact CD1-CD2 4.21Å; F364-F438 AromaticContact CD1-CE2 3.44Å; F364-F438 HydrophobicContact CD1-CE2 3.44Å; F364-F438 VanDerWaalsContact CD1-CE2 3.44Å; F364-F438 AromaticContact CD1-CZ 3.84Å; F364-F438 HydrophobicContact CD1-CZ 3.84Å; F364-F438 HydrophobicContact CD2-CE2 4.06Å; F364-F438 AromaticContact CE1-CD2 3.77Å; F364-F438 HydrophobicContact CE1-CD2 3.77Å; F364-F438 AromaticContact CE1-CE2 3.43Å; F364-F438 HydrophobicContact CE1-CE2 3.43Å; F364-F438 VanDerWaalsContact CE1-CE2 3.43Å; F364-F438 HydrophobicContact CE1-CZ 4.25Å; F364-F438 HydrophobicContact CE2-CE2 4.04Å; F364-F438 AromaticContact CG-CE2 3.76Å; F364-F438 HydrophobicContact CG-CE2 3.76Å; F364-F438 HydrophobicContact CG-CZ 4.08Å; F364-F438 HydrophobicContact CZ-CD2 4Å; F364-F438 AromaticContact CZ-CE2 3.73Å; F364-F438 HydrophobicContact CZ-CE2 3.73Å; P436-F438 HydrophobicContact CB-CE1 4Å; P436-F438 HydrophobicContact CB-CE2 4.23Å; P436-F438 HydrophobicContact CB-CZ 3.82Å; P436-F438 HydrophobicContact CG-CE1 4.3Å; P436-F438 HydrophobicContact CG-CE2 4.49Å; P436-F438 HydrophobicContact CG-CZ 3.86Å; P436-F438 WeakPolarHBondContact O-CD2 3.24Å; P436-F438 WeakPolarHBondContact O-CE2 3.4Å; P436-F438 PolarHBondContact O-N 3.13Å; F438-E440 VanDerWaalsContact C-N 3.35Å; F438-V441 HydrophobicContact CB-CG2 4.17Å; F438-V441 HydrophobicContact CD2-CG2 4.07Å
439	S	96.4	Very high	88.9	Confident	35 Å²	35	61.8 Å²	61.8	25%	0.245	34%	0.338	C	S	.	.	S	Bend	trans	-64.8	-43.1	174.9	-49	0	0	0	0	111	W70 Q74 Q324 V325	W70-S439 VanDerWaalsContact CZ2-OG 3.29Å; W70-S439 WeakPolarHBondContact CZ2-OG 3.37Å; Q74-S439 PolarHBondContact OE1-OG 3.25Å; Q324-S439 WeakPolarHBondContact CA-OG 3.27Å; V325-S439 PolarHBondContact N-OG 3.28Å; V325-S439 WeakPolarHBondContact O-CB 3.46Å; V325-S439 PolarHBondContact O-N 3.03Å; V325-S439 PolarHBondContact O-OG 3.2Å
440	E	95.3	Very high	88.7	Confident	96 Å²	96	63.5 Å²	63.5	45%	0.449	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	156.2	176.2	-65.7	173.1	-124.5	0	0	107.9	M326 G327 K359 F438	M326-E440 HydrophobicContact CE-CB 3.54Å; M326-E440 HydrophobicContact CE-CG 4.27Å; M326-E440 HydrophobicContact SD-CB 3.83Å; M326-E440 HydrophobicContact SD-CG 4.31Å; G327-E440 PolarHBondContact N-O 3.32Å; K359-E440 IonicContact NZ-OE1 3.19Å; K359-E440 PolarHBondContact NZ-OE1 2.82Å; F438-E440 VanDerWaalsContact C-N 3.35Å
441	V	96.3	Very high	89.1	Confident	82 Å²	82	55.4 Å²	55.4	50%	0.497	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.4	177	175	0	0	0	0	110.5	G327 K329 F364 F438	G327-V441 CarbonylContact O-C 3Å; G327-V441 WeakPolarHBondContact O-CA 3.49Å; K329-V441 HydrophobicContact CB-CG1 4.08Å; F364-V441 HydrophobicContact CE1-CG1 4.04Å; F364-V441 HydrophobicContact CE1-CG2 4.41Å; F364-V441 HydrophobicContact CZ-CG1 3.85Å; F364-V441 HydrophobicContact CZ-CG2 4.18Å; F438-V441 HydrophobicContact CB-CG2 4.17Å; F438-V441 HydrophobicContact CD2-CG2 4.07Å
442	I	95	Very high	89.5	Confident	31 Å²	31	53.1 Å²	53.1	16%	0.159	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	117.7	171	-57.7	164.9	0	0	0	107.1	M326 G327 C328 K329 L351 A354 I356 I444	M326-I442 HydrophobicContact CE-CD1 3.78Å; M326-I442 HydrophobicContact CE-CG1 4.04Å; G327-I442 PolarHBondContact O-N 3.48Å; C328-I442 CarbonylContact C-O 3.54Å; K329-I442 PolarHBondContact N-O 2.93Å; L351-I442 HydrophobicContact CD2-CD1 4.14Å; A354-I442 HydrophobicContact CB-CD1 3.45Å; A354-I442 VanDerWaalsContact CB-CD1 3.45Å; A354-I442 HydrophobicContact CB-CG1 4.23Å; I356-I442 HydrophobicContact CG2-CD1 4Å; I442-I444 HydrophobicContact CG2-CG1 4.09Å
443	E	95.8	Very high	90	Very high	115 Å²	115	48.7 Å²	48.7	54%	0.537	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	128.8	173.2	-165.6	170.3	99	0	0	110.6	K329 V331	K329-E443 HydrophobicContact CB-CG 4.36Å; K329-E443 HydrophobicContact CD-CG 4.43Å; K329-E443 WeakPolarHBondContact CD-OE2 3.47Å; K329-E443 WeakPolarHBondContact CE-OE2 3.29Å; K329-E443 IonicContact NZ-OE2 3.5Å; K329-E443 PolarHBondContact NZ-OE2 3.05Å; K329-E443 WeakPolarHBondContact O-CA 3.36Å; V331-E443 HydrophobicContact CB-CG 4.5Å; V331-E443 HydrophobicContact CG1-CG 3.95Å; V331-E443 HydrophobicContact CG2-CG 3.7Å
444	I	93.4	Very high	90.2	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.1	178	-57.7	-174.7	0	0	0	108.7	C328 K329 L330 V331 I347 H350 I442 L446 M449	C328-I444 VanDerWaalsContact SG-CD1 3.59Å; K329-I444 PolarHBondContact O-N 3.33Å; L330-I444 HydrophobicContact CD2-CB 3.96Å; L330-I444 HydrophobicContact CD2-CG2 4.44Å; V331-I444 PolarHBondContact N-O 3.34Å; I347-I444 HydrophobicContact CG1-CD1 4.3Å; I347-I444 HydrophobicContact CG1-CG2 4.44Å; I347-I444 HydrophobicContact CG2-CD1 4.31Å; H350-I444 HydrophobicContact CB-CD1 3.84Å; H350-I444 HydrophobicContact CB-CG1 4.36Å; I442-I444 HydrophobicContact CG2-CG1 4.09Å; I444-L446 PolarHBondContact O-N 2.9Å; I444-M449 HydrophobicContact CG2-CE 3.23Å
445	N	93.1	Very high	90.6	Very high	74 Å²	74	41.4 Å²	41.4	40%	0.396	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	111.6	175.9	-172.4	-24.8	0	0	0	110.5	V331 S447 S448	V331-N445 HydrophobicContact CG2-CB 4.04Å; V331-N445 CarbonylContact O-C 3.57Å; V331-N445 WeakPolarHBondContact O-CA 3.31Å; N445-S447 PolarHBondContact O-N 3.26Å; N445-S447 VanDerWaalsContact OD1-CB 3.28Å; N445-S447 WeakPolarHBondContact OD1-CB 3.47Å; N445-S447 PolarHBondContact OD1-N 3.32Å; N445-S447 PolarHBondContact OD1-OG 2.8Å; N445-S448 WeakPolarHBondContact O-CB 3.38Å; N445-S448 PolarHBondContact O-N 3.27Å; N445-S448 PolarHBondContact O-OG 3.37Å
446	L	90.3	Very high	90.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-61.9	-25.9	179.6	-63.4	177.4	0	0	0	112.9	L330 V331 S333 I334 I343 I444 S448 M449	L330-L446 HydrophobicContact CB-CD1 4.33Å; L330-L446 HydrophobicContact CB-CG 4.49Å; V331-L446 PolarHBondContact O-N 2.81Å; S333-L446 CarbonylContact O-C 3.55Å; I334-L446 HydrophobicContact CD1-CD1 4.49Å; I334-L446 HydrophobicContact CG1-CB 4.13Å; I334-L446 HydrophobicContact CG1-CD1 3.89Å; I334-L446 HydrophobicContact CG1-CG 4.47Å; I343-L446 HydrophobicContact CG2-CD2 4.24Å; I444-L446 PolarHBondContact O-N 2.9Å; L446-S448 PolarHBondContact O-N 2.91Å; L446-M449 VanDerWaalsContact O-CB 3.29Å; L446-M449 WeakPolarHBondContact O-CB 3.49Å; L446-M449 PolarHBondContact O-N 3.17Å
447	S	89.5	Confident	89.8	Confident	55 Å²	55	39 Å²	39	39%	0.385	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-71.6	-15	175.9	-50.3	0	0	0	0	113.1	S333 N445 M449	S333-S447 PolarHBondContact N-OG 2.78Å; S333-S447 WeakPolarHBondContact O-CA 3.44Å; S333-S447 WeakPolarHBondContact O-CB 3.3Å; S333-S447 PolarHBondContact O-N 3Å; S333-S447 VanDerWaalsContact O-N 3.1Å; S333-S447 PolarHBondContact O-OG 2.95Å; N445-S447 PolarHBondContact O-N 3.26Å; N445-S447 VanDerWaalsContact OD1-CB 3.28Å; N445-S447 WeakPolarHBondContact OD1-CB 3.47Å; N445-S447 PolarHBondContact OD1-N 3.32Å; N445-S447 PolarHBondContact OD1-OG 2.8Å; S447-M449 VanDerWaalsContact C-N 3.32Å
448	S	85.7	Confident	88.6	Confident	67 Å²	67	38.4 Å²	38.4	47%	0.469	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-81.5	-11	170.5	75.1	0	0	0	0	113.4	N445 L446 V450	N445-S448 WeakPolarHBondContact O-CB 3.38Å; N445-S448 PolarHBondContact O-N 3.27Å; N445-S448 PolarHBondContact O-OG 3.37Å; L446-S448 PolarHBondContact O-N 2.91Å; S448-V450 VanDerWaalsContact C-N 3.34Å; S448-V450 PolarHBondContact O-N 3.38Å
449	M	85.1	Confident	86.8	Confident	11 Å²	11	38.9 Å²	38.9	5%	0.054	21%	0.213	C	C	.	.			trans	-79.6	82.4	178.5	-56.8	-59.2	177	0	0	109.9	A338 G346 I347 I444 L446 S447	A338-M449 WeakPolarHBondContact CB-O 3.09Å; G346-M449 VanDerWaalsContact CA-SD 3.59Å; I347-M449 HydrophobicContact CG1-CE 4.38Å; I444-M449 HydrophobicContact CG2-CE 3.23Å; L446-M449 VanDerWaalsContact O-CB 3.29Å; L446-M449 WeakPolarHBondContact O-CB 3.49Å; L446-M449 PolarHBondContact O-N 3.17Å; S447-M449 VanDerWaalsContact C-N 3.32Å
450	V	83.1	Confident	85.4	Confident	50 Å²	50	43.4 Å²	43.4	30%	0.303	23%	0.23	S	C	.	.			trans	-84.9	148	172.9	-58.7	0	0	0	0	111.1	S448 H452 A464	S448-V450 VanDerWaalsContact C-N 3.34Å; S448-V450 PolarHBondContact O-N 3.38Å; V450-H452 VanDerWaalsContact CG2-CE1 3.43Å; V450-H452 WeakPolarHBondContact CG2-CE1 3.34Å; V450-H452 PolarHBondContact O-CE1 3.01Å; V450-H452 VanDerWaalsContact O-CE1 3.31Å; V450-H452 PolarHBondContact O-ND1 3.49Å; V450-A464 HydrophobicContact CG2-CB 4.13Å
451	P	85.4	Confident	84.6	Confident	8 Å²	8	39.6 Å²	39.6	5%	0.052	21%	0.213	C	C	.	.			trans	-59.5	140.7	170.8	-25.6	35.7	0	0	0	112.5	L337 I465	L337-P451 VanDerWaalsContact C-CG 3.47Å; L337-P451 HydrophobicContact CB-CG 3.78Å; L337-P451 WeakPolarHBondContact O-CG 3.33Å; P451-I465 HydrophobicContact CB-CD1 3.37Å; P451-I465 HydrophobicContact CB-CG1 3.86Å; P451-I465 HydrophobicContact CG-CD1 4.26Å; P451-I465 PolarHBondContact O-N 3.45Å
452	H	86.1	Confident	84	Confident	58 Å²	58	41 Å²	41	27%	0.269	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	145.9	177.1	-68.7	78	0	0	0	112.3	V450 V463	V450-H452 VanDerWaalsContact CG2-CE1 3.43Å; V450-H452 WeakPolarHBondContact CG2-CE1 3.34Å; V450-H452 PolarHBondContact O-CE1 3.01Å; V450-H452 VanDerWaalsContact O-CE1 3.31Å; V450-H452 PolarHBondContact O-ND1 3.49Å; H452-V463 CarbonylContact C-O 3.55Å; H452-V463 VanDerWaalsContact CA-O 3.29Å; H452-V463 WeakPolarHBondContact CA-O 3.34Å
453	V	88.4	Confident	83.7	Confident	1 Å²	1	40 Å²	40	1%	0.006	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	164.1	154.2	-57.4	0	0	0	0	109.9	R462 V463 M468 Y633 L634 A635 Y643	V453-R462 WeakPolarHBondContact O-CA 3.48Å; V453-V463 HydrophobicContact CG2-CB 3.96Å; V453-V463 PolarHBondContact N-O 3.34Å; V453-V463 PolarHBondContact O-N 2.86Å; V453-M468 HydrophobicContact CG2-CG 3.5Å; V453-M468 HydrophobicContact CG2-SD 4.11Å; V453-Y633 HydrophobicContact CB-CD1 4.26Å; V453-Y633 HydrophobicContact CG2-CD1 3.74Å; V453-Y633 HydrophobicContact CG2-CE1 4.25Å; V453-L634 CarbonylContact C-O 3.56Å; V453-L634 WeakPolarHBondContact CA-O 3.2Å; V453-L634 WeakPolarHBondContact CB-O 3.36Å; V453-A635 HydrophobicContact CG1-CB 3.84Å; V453-Y643 HydrophobicContact CG1-CE2 3.9Å
454	S	84.3	Confident	83.5	Confident	15 Å²	15	35.5 Å²	35.5	11%	0.105	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	120.7	172	-53.4	0	0	0	0	110.4	P459 D461 H620 Y633 L634	S454-P459 WeakPolarHBondContact CB-O 3.24Å; S454-D461 CarbonylContact C-O 3.54Å; S454-D461 WeakPolarHBondContact CA-O 3.36Å; S454-H620 PolarHBondContact O-CE1 2.92Å; S454-H620 PolarHBondContact O-NE2 3.3Å; S454-Y633 CarbonylContact O-C 3.58Å; S454-Y633 WeakPolarHBondContact O-CA 3.37Å; S454-L634 PolarHBondContact N-O 3.14Å; S454-L634 PolarHBondContact O-N 3.1Å
455	G	86.5	Confident	83.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.191	C	C	.	.			trans	170.3	-178.5	-172.1	0	0	0	0	0	113.2	D461 K483 H620 N632	G455-D461 PolarHBondContact N-O 2.83Å; G455-D461 WeakPolarHBondContact O-CB 3.4Å; G455-D461 VanDerWaalsContact O-O 3.14Å; G455-K483 WeakPolarHBondContact O-CE 3.36Å; G455-K483 PolarHBondContact O-NZ 3.36Å; G455-H620 WeakPolarHBondContact CA-NE2 3.35Å; G455-N632 WeakPolarHBondContact CA-O 3.03Å
456	P	87.1	Confident	83.1	Confident	0 Å²	0	36 Å²	36	0%	0	20%	0.195	C	C	.	.	S	Bend	cis	-88.8	-3	9.2	32.3	-34	0	0	0	115.6	F485 A631 N632 Y633	P456-F485 HydrophobicContact CB-CE2 4.18Å; P456-F485 HydrophobicContact CB-CZ 3.84Å; P456-F485 HydrophobicContact CG-CE2 3.88Å; P456-F485 HydrophobicContact CG-CZ 3.78Å; P456-A631 HydrophobicContact CB-CB 3.82Å; P456-N632 CarbonylContact C-O 3.6Å; P456-N632 VanDerWaalsContact CA-O 3.29Å; P456-N632 WeakPolarHBondContact CA-O 3.35Å; P456-N632 PolarHBondContact O-N 2.88Å; P456-Y633 HydrophobicContact CB-CE1 4.38Å; P456-Y633 HydrophobicContact CB-CE2 4.04Å
457	K	78.2	Confident	83.3	Confident	12 Å²	12	38.6 Å²	38.6	5%	0.052	21%	0.214	C	C	.	.	S	Bend	trans	-135.6	-13.3	-172.5	-63	-174.3	-179.6	-166.1	0	116.7	G481 E622	K457-G481 WeakPolarHBondContact CD-O 3.4Å; K457-G481 PolarHBondContact NZ-O 3.44Å; K457-E622 WeakPolarHBondContact CD-OE2 2.84Å; K457-E622 VanDerWaalsContact CE-CD 3.41Å; K457-E622 VanDerWaalsContact CE-OE1 3.26Å; K457-E622 WeakPolarHBondContact CE-OE1 3.44Å; K457-E622 WeakPolarHBondContact CE-OE2 3.35Å; K457-E622 IonicContact NZ-OE1 2.78Å; K457-E622 PolarHBondContact NZ-OE1 3.2Å; K457-E622 IonicContact NZ-OE2 2.7Å; K457-E622 PolarHBondContact NZ-OE2 2.96Å
458	R	68.3	Low	83.5	Confident	69 Å²	69	36 Å²	36	26%	0.26	20%	0.196	S	C	.	.			trans	-139.2	140.3	-179.3	-48	-179	-69.7	-172.2	4.4	113.2	Q460 D461 F482 H620	R458-Q460 HydrophobicContact CB-CG 4.31Å; R458-Q460 PolarHBondContact O-N 3.01Å; R458-Q460 VanDerWaalsContact O-N 3.1Å; R458-D461 VanDerWaalsContact CB-OD2 3.31Å; R458-D461 WeakPolarHBondContact CB-OD2 3.15Å; R458-D461 WeakPolarHBondContact CG-OD2 3.2Å; R458-D461 IonicContact CZ-OD1 2.69Å; R458-D461 VanDerWaalsContact CZ-OD1 3.29Å; R458-D461 IonicContact CZ-OD2 2.76Å; R458-D461 VanDerWaalsContact NE-CG 3.35Å; R458-D461 IonicContact NE-OD1 3.45Å; R458-D461 PolarHBondContact NE-OD1 3.32Å; R458-D461 VanDerWaalsContact NE-OD1 3.15Å; R458-D461 IonicContact NE-OD2 2.81Å; R458-D461 PolarHBondContact NE-OD2 3.22Å; R458-D461 IonicContact NH2-OD1 3.55Å; R458-D461 PolarHBondContact NH2-OD1 3.23Å; R458-D461 IonicContact NH2-OD2 3.8Å; R458-D461 PolarHBondContact NH2-OD2 2.8Å; R458-D461 WeakPolarHBondContact O-CB 3.44Å; R458-D461 PolarHBondContact O-N 2.83Å; R458-F482 VanDerWaalsContact CD-CD1 3.41Å; R458-F482 HydrophobicContact CG-CB 4.31Å; R458-F482 HydrophobicContact CG-CD1 3.64Å; R458-F482 HydrophobicContact CG-CE1 4.17Å; R458-F482 HydrophobicContact CG-CG 4.09Å; R458-F482 VanDerWaalsContact CZ-CD2 3.49Å; R458-H620 VanDerWaalsContact C-NE2 3.27Å; R458-H620 PolarHBondContact N-NE2 3.01Å; R458-H620 PolarHBondContact O-CE1 3.24Å; R458-H620 PolarHBondContact O-NE2 3.49Å
459	P	59.9	Low	83.9	Confident	35 Å²	35	35.2 Å²	35.2	23%	0.227	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-25.1	178.4	-29.2	37.9	0	0	0	116.4	S454 H620 L634	S454-P459 WeakPolarHBondContact CB-O 3.24Å; P459-H620 VanDerWaalsContact CA-CE1 3.46Å; P459-H620 WeakPolarHBondContact CA-CE1 3.24Å; P459-L634 HydrophobicContact CB-CD1 4.25Å
460	Q	66.5	Low	84.4	Confident	129 Å²	129	39.2 Å²	39.2	60%	0.603	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.4	177.8	61.9	-92.3	37.7	0	0	114.4	R458 R462	R458-Q460 HydrophobicContact CB-CG 4.31Å; R458-Q460 PolarHBondContact O-N 3.01Å; R458-Q460 VanDerWaalsContact O-N 3.1Å; Q460-R462 VanDerWaalsContact C-N 3.27Å; Q460-R462 PolarHBondContact O-N 2.79Å
461	D	78.9	Confident	84.9	Confident	17 Å²	17	38.6 Å²	38.6	9%	0.091	20%	0.2	C	C	.	.			trans	-82.9	70.3	-175.4	-66.2	-22.2	0	0	0	110.8	S454 G455 R458	S454-D461 CarbonylContact C-O 3.54Å; S454-D461 WeakPolarHBondContact CA-O 3.36Å; G455-D461 PolarHBondContact N-O 2.83Å; G455-D461 WeakPolarHBondContact O-CB 3.4Å; G455-D461 VanDerWaalsContact O-O 3.14Å; R458-D461 VanDerWaalsContact CB-OD2 3.31Å; R458-D461 WeakPolarHBondContact CB-OD2 3.15Å; R458-D461 WeakPolarHBondContact CG-OD2 3.2Å; R458-D461 IonicContact CZ-OD1 2.69Å; R458-D461 VanDerWaalsContact CZ-OD1 3.29Å; R458-D461 IonicContact CZ-OD2 2.76Å; R458-D461 VanDerWaalsContact NE-CG 3.35Å; R458-D461 IonicContact NE-OD1 3.45Å; R458-D461 PolarHBondContact NE-OD1 3.32Å; R458-D461 VanDerWaalsContact NE-OD1 3.15Å; R458-D461 IonicContact NE-OD2 2.81Å; R458-D461 PolarHBondContact NE-OD2 3.22Å; R458-D461 IonicContact NH2-OD1 3.55Å; R458-D461 PolarHBondContact NH2-OD1 3.23Å; R458-D461 IonicContact NH2-OD2 3.8Å; R458-D461 PolarHBondContact NH2-OD2 2.8Å; R458-D461 WeakPolarHBondContact O-CB 3.44Å; R458-D461 PolarHBondContact O-N 2.83Å
462	R	83.9	Confident	85.4	Confident	111 Å²	111	38.5 Å²	38.5	42%	0.419	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	139.3	-179	-77.8	-171	170.1	-154.2	-2.6	112.6	V453 Q460	V453-R462 WeakPolarHBondContact O-CA 3.48Å; Q460-R462 VanDerWaalsContact C-N 3.27Å; Q460-R462 PolarHBondContact O-N 2.79Å
463	V	89.1	Confident	85.8	Confident	9 Å²	9	40.3 Å²	40.3	6%	0.055	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.2	176.6	-171.2	0	0	0	0	107.9	H452 V453 M468 D471	H452-V463 CarbonylContact C-O 3.55Å; H452-V463 VanDerWaalsContact CA-O 3.29Å; H452-V463 WeakPolarHBondContact CA-O 3.34Å; V453-V463 HydrophobicContact CG2-CB 3.96Å; V453-V463 PolarHBondContact N-O 3.34Å; V453-V463 PolarHBondContact O-N 2.86Å; V463-M468 HydrophobicContact CG1-CB 4.47Å; V463-M468 HydrophobicContact CG1-CG 4.18Å; V463-D471 HydrophobicContact CG1-CB 3.62Å; V463-D471 HydrophobicContact CG2-CB 4.37Å
464	A	89.6	Confident	86.1	Confident	21 Å²	21	43.5 Å²	43.5	17%	0.174	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	144.2	172.1	0	0	0	0	0	109.8	V450 S466 S467 M468	V450-A464 HydrophobicContact CG2-CB 4.13Å; A464-S466 VanDerWaalsContact C-N 3.28Å; A464-S466 PolarHBondContact O-N 3.47Å; A464-S467 PolarHBondContact O-N 3.23Å; A464-M468 PolarHBondContact O-N 3.39Å
465	I	90.3	Very high	86.5	Confident	18 Å²	18	42.9 Å²	42.9	9%	0.092	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-55.9	-43.2	-176.9	-67.1	-175.8	0	0	0	112.4	P451 S467 M468 L639 F653	P451-I465 HydrophobicContact CB-CD1 3.37Å; P451-I465 HydrophobicContact CB-CG1 3.86Å; P451-I465 HydrophobicContact CG-CD1 4.26Å; P451-I465 PolarHBondContact O-N 3.45Å; I465-S467 PolarHBondContact O-N 2.86Å; I465-M468 WeakPolarHBondContact O-CB 2.93Å; I465-M468 PolarHBondContact O-N 2.76Å; I465-L639 HydrophobicContact CD1-CD1 3.53Å; I465-L639 HydrophobicContact CD1-CD2 3.34Å; I465-L639 HydrophobicContact CD1-CG 4.06Å; I465-L639 HydrophobicContact CG1-CD1 4.38Å; I465-F653 HydrophobicContact CG2-CD2 3.62Å; I465-F653 HydrophobicContact CG2-CE2 4.14Å
466	S	89.5	Confident	86.8	Confident	69 Å²	69	43.3 Å²	43.3	48%	0.483	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-62.1	-13.7	178.9	50.3	0	0	0	0	114.1	A464	A464-S466 VanDerWaalsContact C-N 3.28Å; A464-S466 PolarHBondContact O-N 3.47Å
467	S	92.9	Very high	87	Confident	56 Å²	56	46.3 Å²	46.3	39%	0.392	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-113	5.8	176.5	-50.5	0	0	0	0	113.2	A464 I465 K469 D470 D471	A464-S467 PolarHBondContact O-N 3.23Å; I465-S467 PolarHBondContact O-N 2.86Å; S467-K469 PolarHBondContact O-N 3.35Å; S467-D470 PolarHBondContact O-N 2.84Å; S467-D471 WeakPolarHBondContact O-CB 3.4Å; S467-D471 PolarHBondContact O-N 3.31Å
468	M	93.9	Very high	87.6	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.266	C	S	.	.	H	α-helix	trans	-65.9	-44.1	-172	-136.4	-53.4	-57.2	0	0	112	V453 V463 A464 I465 D470 D471 F472 Y633 V649	V453-M468 HydrophobicContact CG2-CG 3.5Å; V453-M468 HydrophobicContact CG2-SD 4.11Å; V463-M468 HydrophobicContact CG1-CB 4.47Å; V463-M468 HydrophobicContact CG1-CG 4.18Å; A464-M468 PolarHBondContact O-N 3.39Å; I465-M468 WeakPolarHBondContact O-CB 2.93Å; I465-M468 PolarHBondContact O-N 2.76Å; M468-D470 VanDerWaalsContact C-N 3.33Å; M468-D470 PolarHBondContact O-N 2.8Å; M468-D471 PolarHBondContact O-N 3.35Å; M468-F472 HydrophobicContact CE-CB 3.99Å; M468-F472 WeakPolarHBondContact O-CB 3.3Å; M468-F472 PolarHBondContact O-N 2.86Å; M468-Y633 HydrophobicContact SD-CD1 4.21Å; M468-Y633 HydrophobicContact SD-CE1 3.54Å; M468-Y633 VanDerWaalsContact SD-CE1 3.54Å; M468-V649 HydrophobicContact CE-CB 3.47Å; M468-V649 VanDerWaalsContact CE-CB 3.47Å; M468-V649 HydrophobicContact CE-CG2 3.67Å; M468-V649 WeakPolarHBondContact CE-O 3.47Å
469	K	95.1	Very high	88.4	Confident	49 Å²	49	55.6 Å²	55.6	21%	0.213	29%	0.288	C	S	.	.	H	α-helix	trans	-57.4	-46.8	177.4	-173.1	171.3	-171.7	174.2	0	111.6	S467 F472 Q473 G650 D652 E656	S467-K469 PolarHBondContact O-N 3.35Å; K469-F472 PolarHBondContact O-N 3.18Å; K469-Q473 WeakPolarHBondContact O-CB 3.36Å; K469-Q473 WeakPolarHBondContact O-CG 3.27Å; K469-Q473 PolarHBondContact O-N 3.07Å; K469-G650 WeakPolarHBondContact CD-O 3.4Å; K469-G650 VanDerWaalsContact CE-O 3.29Å; K469-G650 WeakPolarHBondContact CE-O 3.47Å; K469-D652 HydrophobicContact CD-CB 4.13Å; K469-E656 IonicContact NZ-OE1 3.78Å; K469-E656 PolarHBondContact NZ-OE1 3.41Å; K469-E656 IonicContact NZ-OE2 2.63Å; K469-E656 PolarHBondContact NZ-OE2 3.31Å
470	D	94.8	Very high	89.6	Confident	96 Å²	96	59.2 Å²	59.2	51%	0.513	31%	0.309	S	S	.	.	H	α-helix	trans	-70	-40.8	-179.1	-60	-18.4	0	0	0	112.3	S467 M468 Q473 S474	S467-D470 PolarHBondContact O-N 2.84Å; M468-D470 VanDerWaalsContact C-N 3.33Å; M468-D470 PolarHBondContact O-N 2.8Å; D470-Q473 PolarHBondContact O-N 2.81Å; D470-S474 VanDerWaalsContact O-CB 3.3Å; D470-S474 WeakPolarHBondContact O-CB 3.3Å; D470-S474 PolarHBondContact O-N 3.4Å; D470-S474 PolarHBondContact O-OG 3.35Å
471	D	95.1	Very high	90.1	Very high	37 Å²	37	54.6 Å²	54.6	20%	0.198	30%	0.297	C	S	.	.	H	α-helix	trans	-61.8	-43.8	174.2	-179.3	92.2	0	0	0	111.2	V463 S467 M468 S474 C475 K483	V463-D471 HydrophobicContact CG1-CB 3.62Å; V463-D471 HydrophobicContact CG2-CB 4.37Å; S467-D471 WeakPolarHBondContact O-CB 3.4Å; S467-D471 PolarHBondContact O-N 3.31Å; M468-D471 PolarHBondContact O-N 3.35Å; D471-S474 WeakPolarHBondContact O-CB 3.45Å; D471-S474 PolarHBondContact O-N 2.6Å; D471-C475 WeakPolarHBondContact O-CB 3.24Å; D471-C475 PolarHBondContact O-N 3.04Å; D471-C475 PolarHBondContact O-SG 3.35Å; D471-K483 IonicContact OD1-NZ 2.73Å; D471-K483 PolarHBondContact OD1-NZ 3.4Å; D471-K483 IonicContact OD2-NZ 2.85Å; D471-K483 PolarHBondContact OD2-NZ 3.16Å
472	F	95.6	Very high	89.8	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.026	32%	0.317	C	S	.	.	H	α-helix	trans	-67	-44.2	177.9	-177.5	-103.6	0	0	0	112.3	M468 K469 S474 C475 L476 F485 H509 G510 V610 A631 Y633 V649	M468-F472 HydrophobicContact CE-CB 3.99Å; M468-F472 WeakPolarHBondContact O-CB 3.3Å; M468-F472 PolarHBondContact O-N 2.86Å; K469-F472 PolarHBondContact O-N 3.18Å; F472-S474 VanDerWaalsContact C-N 3.29Å; F472-S474 PolarHBondContact O-N 3.4Å; F472-C475 WeakPolarHBondContact O-CB 3.44Å; F472-C475 PolarHBondContact O-N 3.16Å; F472-C475 VanDerWaalsContact O-N 3.15Å; F472-L476 HydrophobicContact CD1-CD1 4.44Å; F472-L476 HydrophobicContact CE1-CD1 3.94Å; F472-L476 HydrophobicContact CE1-CD2 4.18Å; F472-L476 HydrophobicContact CE1-CG 4.11Å; F472-L476 HydrophobicContact CZ-CD1 4.49Å; F472-L476 HydrophobicContact CZ-CD2 3.9Å; F472-L476 HydrophobicContact CZ-CG 4.27Å; F472-L476 PolarHBondContact O-N 3.27Å; F472-F485 HydrophobicContact CE2-CE2 4.4Å; F472-H509 HydrophobicContact CE1-CB 4.36Å; F472-H509 HydrophobicContact CZ-CB 4.49Å; F472-G510 VanDerWaalsContact CZ-N 3.26Å; F472-V610 HydrophobicContact CE2-CG1 3.92Å; F472-V610 HydrophobicContact CZ-CB 4.33Å; F472-V610 HydrophobicContact CZ-CG1 4.01Å; F472-A631 HydrophobicContact CE2-CB 4.42Å; F472-Y633 WeakPolarHBondContact CD2-OH 3.44Å; F472-V649 HydrophobicContact CD1-CG2 4.28Å; F472-V649 HydrophobicContact CD2-CG2 3.99Å; F472-V649 HydrophobicContact CE2-CG2 4.28Å; F472-V649 HydrophobicContact CG-CG2 4Å
473	Q	93.8	Very high	89.9	Confident	95 Å²	95	56.9 Å²	56.9	44%	0.444	31%	0.309	S	S	.	.	H	α-helix	trans	-61.5	-37.5	174.4	-73.9	-178.7	0.1	0	0	112.2	K469 D470 L476 N477	K469-Q473 WeakPolarHBondContact O-CB 3.36Å; K469-Q473 WeakPolarHBondContact O-CG 3.27Å; K469-Q473 PolarHBondContact O-N 3.07Å; D470-Q473 PolarHBondContact O-N 2.81Å; Q473-L476 PolarHBondContact O-N 2.58Å; Q473-N477 PolarHBondContact O-ND2 3.01Å
474	S	93.8	Very high	89.9	Confident	68 Å²	68	56.5 Å²	56.5	48%	0.476	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-44.8	172.4	-58.2	0	0	0	0	111.1	D470 D471 F472 L476 N477 E478	D470-S474 VanDerWaalsContact O-CB 3.3Å; D470-S474 WeakPolarHBondContact O-CB 3.3Å; D470-S474 PolarHBondContact O-N 3.4Å; D470-S474 PolarHBondContact O-OG 3.35Å; D471-S474 WeakPolarHBondContact O-CB 3.45Å; D471-S474 PolarHBondContact O-N 2.6Å; F472-S474 VanDerWaalsContact C-N 3.29Å; F472-S474 PolarHBondContact O-N 3.4Å; S474-L476 VanDerWaalsContact C-N 3.25Å; S474-L476 PolarHBondContact O-N 3.23Å; S474-N477 PolarHBondContact O-N 2.81Å; S474-N477 VanDerWaalsContact O-N 3.1Å; S474-E478 PolarHBondContact O-N 2.87Å
475	C	93.6	Very high	89.8	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.014	30%	0.3	C	S	.	.	H	α-helix	trans	-60.2	-29.7	176.1	-70.5	0	0	0	0	113.5	D471 F472 K483 G484 F485	D471-C475 WeakPolarHBondContact O-CB 3.24Å; D471-C475 PolarHBondContact O-N 3.04Å; D471-C475 PolarHBondContact O-SG 3.35Å; F472-C475 WeakPolarHBondContact O-CB 3.44Å; F472-C475 PolarHBondContact O-N 3.16Å; F472-C475 VanDerWaalsContact O-N 3.15Å; C475-K483 WeakPolarHBondContact CA-O 3.47Å; C475-K483 PolarHBondContact SG-O 2.87Å; C475-K483 VanDerWaalsContact SG-O 3.41Å; C475-G484 CarbonylContact O-C 3.6Å; C475-G484 VanDerWaalsContact O-CA 3.31Å; C475-G484 WeakPolarHBondContact O-CA 3.36Å; C475-F485 HydrophobicContact CB-CD2 3.93Å; C475-F485 HydrophobicContact CB-CE2 3.94Å; C475-F485 WeakPolarHBondContact O-CD2 3.4Å; C475-F485 PolarHBondContact O-N 3.2Å
476	L	93.5	Very high	89.9	Confident	9 Å²	9	61 Å²	61	5%	0.047	32%	0.323	C	S	.	.	H	α-helix	trans	-65.3	-42.3	174.5	-67.4	177.1	0	0	0	111.6	F472 Q473 S474 F485 H486 I487 Q492 H509 V610	F472-L476 HydrophobicContact CD1-CD1 4.44Å; F472-L476 HydrophobicContact CE1-CD1 3.94Å; F472-L476 HydrophobicContact CE1-CD2 4.18Å; F472-L476 HydrophobicContact CE1-CG 4.11Å; F472-L476 HydrophobicContact CZ-CD1 4.49Å; F472-L476 HydrophobicContact CZ-CD2 3.9Å; F472-L476 HydrophobicContact CZ-CG 4.27Å; F472-L476 PolarHBondContact O-N 3.27Å; Q473-L476 PolarHBondContact O-N 2.58Å; S474-L476 VanDerWaalsContact C-N 3.25Å; S474-L476 PolarHBondContact O-N 3.23Å; L476-F485 HydrophobicContact CD2-CD2 4.46Å; L476-H486 PolarHBondContact O-N 3.09Å; L476-I487 HydrophobicContact CB-CB 4.49Å; L476-I487 HydrophobicContact CD2-CG1 4.08Å; L476-I487 PolarHBondContact O-N 2.83Å; L476-Q492 HydrophobicContact CB-CG 4.15Å; L476-Q492 HydrophobicContact CD1-CB 4.44Å; L476-Q492 HydrophobicContact CD1-CG 4.17Å; L476-H509 HydrophobicContact CD1-CB 3.92Å; L476-H509 HydrophobicContact CD2-CB 4.04Å; L476-V610 HydrophobicContact CD2-CB 4.05Å; L476-V610 HydrophobicContact CD2-CG1 4.49Å; L476-V610 HydrophobicContact CD2-CG2 3.89Å
477	N	91.4	Very high	90	Very high	64 Å²	64	58.2 Å²	58.2	34%	0.342	30%	0.303	S	S	.	.	H	α-helix	trans	-76.3	-35.8	-178.3	-71.6	-84	0	0	0	112.9	Q473 S474 K489 Q492	Q473-N477 PolarHBondContact O-ND2 3.01Å; S474-N477 PolarHBondContact O-N 2.81Å; S474-N477 VanDerWaalsContact O-N 3.1Å; N477-K489 WeakPolarHBondContact OD1-CG 3.44Å; N477-Q492 PolarHBondContact ND2-NE2 3.1Å; N477-Q492 PolarHBondContact ND2-OE1 3.2Å; N477-Q492 PolarHBondContact OD1-NE2 2.96Å
478	E	89.6	Confident	89.9	Confident	112 Å²	112	58 Å²	58	52%	0.523	30%	0.302	S	S	.	.	S	Bend	trans	-62.5	151.5	-172.4	-91	-60.3	164.5	0	0	114.6	S474 K483 G484 F485 H486	S474-E478 PolarHBondContact O-N 2.87Å; E478-K483 WeakPolarHBondContact CB-O 3.38Å; E478-G484 CarbonylContact O-C 3.59Å; E478-F485 PolarHBondContact O-N 3.31Å; E478-H486 WeakPolarHBondContact O-CA 3.13Å; E478-H486 PolarHBondContact O-N 3.47Å
479	K	85.9	Confident	89.6	Confident	163 Å²	163	64.9 Å²	64.9	71%	0.709	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-61.6	147	179.9	-68.2	-176.3	-178.2	176.3	0	110.8	G481 G484	K479-G481 PolarHBondContact O-N 3.47Å; K479-G484 WeakPolarHBondContact O-CA 3.3Å
480	V	84.1	Confident	89.3	Confident	111 Å²	111	70 Å²	70	67%	0.673	36%	0.356	S	S	*	.	S	Bend	trans	-50.3	117	-177.3	-176.2	0	0	0	0	110.9	G484 H486	V480-G484 WeakPolarHBondContact CA-O 3.09Å; V480-H486 HydrophobicContact CG2-CB 3.59Å
481	G	77.2	Confident	89.1	Confident	33 Å²	33	70.6 Å²	70.6	34%	0.34	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-174	-158.7	-174.3	0	0	0	0	0	111.2	K457 K479 K483 G484	K457-G481 WeakPolarHBondContact CD-O 3.4Å; K457-G481 PolarHBondContact NZ-O 3.44Å; K479-G481 PolarHBondContact O-N 3.47Å; G481-K483 VanDerWaalsContact C-N 3.33Å; G481-G484 PolarHBondContact N-O 3.27Å; G481-G484 VanDerWaalsContact N-O 3.13Å
482	F	74.1	Confident	88.8	Confident	118 Å²	118	70.6 Å²	70.6	52%	0.518	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-29.2	178.3	-60.8	-60.5	0	0	0	113.4	R458	R458-F482 VanDerWaalsContact CD-CD1 3.41Å; R458-F482 HydrophobicContact CG-CB 4.31Å; R458-F482 HydrophobicContact CG-CD1 3.64Å; R458-F482 HydrophobicContact CG-CE1 4.17Å; R458-F482 HydrophobicContact CG-CG 4.09Å; R458-F482 VanDerWaalsContact CZ-CD2 3.49Å
483	K	85.9	Confident	88.6	Confident	58 Å²	58	77.2 Å²	77.2	25%	0.252	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	31	-178.6	-81.9	-82.1	178.1	173.4	0	111.7	G455 D471 C475 E478 G481	G455-K483 WeakPolarHBondContact O-CE 3.36Å; G455-K483 PolarHBondContact O-NZ 3.36Å; D471-K483 IonicContact OD1-NZ 2.73Å; D471-K483 PolarHBondContact OD1-NZ 3.4Å; D471-K483 IonicContact OD2-NZ 2.85Å; D471-K483 PolarHBondContact OD2-NZ 3.16Å; C475-K483 WeakPolarHBondContact CA-O 3.47Å; C475-K483 PolarHBondContact SG-O 2.87Å; C475-K483 VanDerWaalsContact SG-O 3.41Å; E478-K483 WeakPolarHBondContact CB-O 3.38Å; G481-K483 VanDerWaalsContact C-N 3.33Å
484	G	88.3	Confident	88.5	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-157.4	136.3	-174.2	0	0	0	0	0	114.1	C475 E478 K479 V480 G481	C475-G484 CarbonylContact O-C 3.6Å; C475-G484 VanDerWaalsContact O-CA 3.31Å; C475-G484 WeakPolarHBondContact O-CA 3.36Å; E478-G484 CarbonylContact O-C 3.59Å; K479-G484 WeakPolarHBondContact O-CA 3.3Å; V480-G484 WeakPolarHBondContact CA-O 3.09Å; G481-G484 PolarHBondContact N-O 3.27Å; G481-G484 VanDerWaalsContact N-O 3.13Å
485	F	88.3	Confident	88.6	Confident	8 Å²	8	79.7 Å²	79.7	4%	0.035	39%	0.388	C	S	.	.			trans	-117.6	-13.5	-177.7	-64.5	-68.1	0	0	0	114.2	P456 F472 C475 L476 E478 I487 V610 R630 A631	P456-F485 HydrophobicContact CB-CE2 4.18Å; P456-F485 HydrophobicContact CB-CZ 3.84Å; P456-F485 HydrophobicContact CG-CE2 3.88Å; P456-F485 HydrophobicContact CG-CZ 3.78Å; F472-F485 HydrophobicContact CE2-CE2 4.4Å; C475-F485 HydrophobicContact CB-CD2 3.93Å; C475-F485 HydrophobicContact CB-CE2 3.94Å; C475-F485 WeakPolarHBondContact O-CD2 3.4Å; C475-F485 PolarHBondContact O-N 3.2Å; L476-F485 HydrophobicContact CD2-CD2 4.46Å; E478-F485 PolarHBondContact O-N 3.31Å; F485-I487 HydrophobicContact CB-CG1 4.09Å; F485-I487 PolarHBondContact O-N 2.66Å; F485-V610 HydrophobicContact CB-CG2 3.95Å; F485-V610 HydrophobicContact CD1-CG1 4.07Å; F485-V610 HydrophobicContact CD1-CG2 4.16Å; F485-V610 HydrophobicContact CD2-CG1 3.85Å; F485-V610 HydrophobicContact CD2-CG2 4.3Å; F485-V610 HydrophobicContact CE1-CG1 3.96Å; F485-V610 HydrophobicContact CE2-CG1 3.74Å; F485-V610 HydrophobicContact CG-CG1 4.03Å; F485-V610 HydrophobicContact CG-CG2 3.88Å; F485-V610 HydrophobicContact CZ-CG1 3.8Å; F485-R630 HydrophobicContact CD1-CB 4.45Å; F485-R630 HydrophobicContact CE1-CB 4.03Å; F485-R630 WeakPolarHBondContact CE1-O 3.32Å; F485-A631 HydrophobicContact CE2-CB 4.28Å; F485-A631 HydrophobicContact CZ-CB 3.7Å
486	H	92	Very high	88.7	Confident	125 Å²	125	80.4 Å²	80.4	58%	0.579	39%	0.392	S	S	*	.			trans	54.6	47.4	177.9	-157.8	55.8	0	0	0	114.8	L476 E478 V480	L476-H486 PolarHBondContact O-N 3.09Å; E478-H486 WeakPolarHBondContact O-CA 3.13Å; E478-H486 PolarHBondContact O-N 3.47Å; V480-H486 HydrophobicContact CG2-CB 3.59Å
487	I	91.5	Very high	88.8	Confident	11 Å²	11	83 Å²	83	6%	0.056	41%	0.409	C	S	.	.			trans	-89	123.4	172.5	-51.6	-56.4	0	0	0	108.5	L476 F485 K491 Q492 V610	L476-I487 HydrophobicContact CB-CB 4.49Å; L476-I487 HydrophobicContact CD2-CG1 4.08Å; L476-I487 PolarHBondContact O-N 2.83Å; F485-I487 HydrophobicContact CB-CG1 4.09Å; F485-I487 PolarHBondContact O-N 2.66Å; I487-K491 HydrophobicContact CG2-CB 3.83Å; I487-Q492 HydrophobicContact CB-CG 4.32Å; I487-Q492 HydrophobicContact CG2-CG 3.88Å; I487-Q492 PolarHBondContact O-NE2 3.47Å; I487-V610 HydrophobicContact CD1-CG2 4.13Å; I487-V610 HydrophobicContact CG1-CG2 3.98Å
488	S	89.9	Confident	89	Confident	53 Å²	53	80.6 Å²	80.6	37%	0.371	40%	0.395	S	S	.	.			trans	-67.1	151.3	178.3	80	0	0	0	0	111.5	E490 K491 Q492	S488-E490 WeakPolarHBondContact CB-OE2 3.27Å; S488-E490 PolarHBondContact O-N 2.97Å; S488-E490 VanDerWaalsContact O-N 3.16Å; S488-E490 PolarHBondContact OG-OE2 3.23Å; S488-K491 PolarHBondContact O-N 3.48Å; S488-Q492 PolarHBondContact O-N 2.97Å
489	K	89.1	Confident	89.1	Confident	144 Å²	144	80.9 Å²	80.9	63%	0.626	40%	0.4	S	S	*	.	H	α-helix	trans	-57.9	-34.9	-172.6	-74.4	-170.6	173.6	-171.7	0	113	N477 K491 Q492	N477-K489 WeakPolarHBondContact OD1-CG 3.44Å; K489-K491 PolarHBondContact O-N 3.2Å; K489-Q492 PolarHBondContact O-N 3.03Å
490	E	88.2	Confident	89.2	Confident	157 Å²	157	75.2 Å²	75.2	73%	0.734	38%	0.376	S	S	*	.	H	α-helix	trans	-67.5	-16.3	179.6	-43.9	71.7	-152.9	0	0	112.7	S488	S488-E490 WeakPolarHBondContact CB-OE2 3.27Å; S488-E490 PolarHBondContact O-N 2.97Å; S488-E490 VanDerWaalsContact O-N 3.16Å; S488-E490 PolarHBondContact OG-OE2 3.23Å
491	K	89.4	Confident	89.1	Confident	109 Å²	109	73.9 Å²	73.9	47%	0.474	38%	0.384	S	S	.	.	H	α-helix	trans	-102.7	-14.1	177.9	-68.4	-174.8	174.6	-172.2	0	114.1	I487 S488 K489 D493 V494 H509	I487-K491 HydrophobicContact CG2-CB 3.83Å; S488-K491 PolarHBondContact O-N 3.48Å; K489-K491 PolarHBondContact O-N 3.2Å; K491-D493 VanDerWaalsContact C-N 3.26Å; K491-D493 PolarHBondContact O-N 2.9Å; K491-V494 HydrophobicContact CB-CG2 4.38Å; K491-V494 WeakPolarHBondContact O-CB 3.44Å; K491-V494 WeakPolarHBondContact O-CG2 3.21Å; K491-V494 PolarHBondContact O-N 3.44Å; K491-V494 VanDerWaalsContact O-N 3.15Å; K491-H509 PolarHBondContact O-NE2 3.22Å
492	Q	89.8	Confident	89.5	Confident	36 Å²	36	75.6 Å²	75.6	17%	0.168	40%	0.402	C	S	.	.	H	α-helix	trans	-65.3	-29.5	-173.3	-72.1	170.1	22.3	0	0	112.7	L476 N477 I487 S488 K489 H509	L476-Q492 HydrophobicContact CB-CG 4.15Å; L476-Q492 HydrophobicContact CD1-CB 4.44Å; L476-Q492 HydrophobicContact CD1-CG 4.17Å; N477-Q492 PolarHBondContact ND2-NE2 3.1Å; N477-Q492 PolarHBondContact ND2-OE1 3.2Å; N477-Q492 PolarHBondContact OD1-NE2 2.96Å; I487-Q492 HydrophobicContact CB-CG 4.32Å; I487-Q492 HydrophobicContact CG2-CG 3.88Å; I487-Q492 PolarHBondContact O-NE2 3.47Å; S488-Q492 PolarHBondContact O-N 2.97Å; K489-Q492 PolarHBondContact O-N 3.03Å; Q492-H509 PolarHBondContact O-CD2 3.08Å
493	D	91	Very high	90.3	Very high	146 Å²	146	75.3 Å²	75.3	78%	0.781	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	8.5	177.9	-64.8	-51.9	0	0	0	114.5	K491 R495	K491-D493 VanDerWaalsContact C-N 3.26Å; K491-D493 PolarHBondContact O-N 2.9Å; D493-R495 PolarHBondContact O-N 2.82Å
494	V	92.7	Very high	90.7	Very high	43 Å²	43	78.8 Å²	78.8	26%	0.261	42%	0.42	S	S	.	.			trans	-61.9	128.9	-179.6	168.6	0	0	0	0	111.1	K491 I496 L609	K491-V494 HydrophobicContact CB-CG2 4.38Å; K491-V494 WeakPolarHBondContact O-CB 3.44Å; K491-V494 WeakPolarHBondContact O-CG2 3.21Å; K491-V494 PolarHBondContact O-N 3.44Å; K491-V494 VanDerWaalsContact O-N 3.15Å; V494-I496 HydrophobicContact CG1-CD1 3.75Å; V494-I496 HydrophobicContact CG1-CG1 4.13Å; V494-L609 HydrophobicContact CG1-CD2 4.17Å
495	R	95	Very high	91	Very high	171 Å²	171	80.5 Å²	80.5	65%	0.645	43%	0.426	S	S	*	.			trans	-120.6	128.4	173.9	-58.8	-172	-179.1	-144.5	-1.5	110.3	D493 L507 A508	D493-R495 PolarHBondContact O-N 2.82Å; R495-L507 CarbonylContact C-O 3.54Å; R495-L507 WeakPolarHBondContact CA-O 3.26Å; R495-A508 HydrophobicContact CG-CB 4.32Å
496	I	96.5	Very high	91.3	Very high	18 Å²	18	85 Å²	85	9%	0.092	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.6	-179.9	-55	-59.8	0	0	0	109.5	V494 Q506 L507 A603 K606 L609	V494-I496 HydrophobicContact CG1-CD1 3.75Å; V494-I496 HydrophobicContact CG1-CG1 4.13Å; I496-Q506 WeakPolarHBondContact O-CA 3.39Å; I496-L507 PolarHBondContact N-O 2.83Å; I496-L507 PolarHBondContact O-N 3.03Å; I496-A603 HydrophobicContact CB-CB 4.45Å; I496-A603 HydrophobicContact CG2-CB 3.84Å; I496-K606 HydrophobicContact CG2-CD 4.19Å; I496-L609 HydrophobicContact CB-CD1 4.42Å; I496-L609 HydrophobicContact CG1-CD1 4.07Å; I496-L609 HydrophobicContact CG1-CG 4.4Å
497	P	95.1	Very high	91.5	Very high	62 Å²	62	79.1 Å²	79.1	40%	0.403	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	144.1	171.6	30.5	-33.5	0	0	0	111	E504 Y505 Q506	P497-E504 HydrophobicContact CB-CG 4.24Å; P497-Y505 CarbonylContact C-O 3.49Å; P497-Y505 VanDerWaalsContact CA-O 3.28Å; P497-Y505 WeakPolarHBondContact CA-O 3.32Å; P497-Q506 HydrophobicContact CB-CG 4.48Å
498	F	94.4	Very high	91.7	Very high	15 Å²	15	79.8 Å²	79.8	7%	0.066	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	154.1	175.5	73.4	-73.7	0	0	0	111.1	H500 E504 Y505 L507 Y549 A599 V600 A603	F498-H500 HydrophobicContact CD2-CB 4.28Å; F498-H500 HydrophobicContact CE2-CB 3.86Å; F498-E504 WeakPolarHBondContact O-CA 3.49Å; F498-Y505 VanDerWaalsContact CD1-O 3.3Å; F498-Y505 WeakPolarHBondContact CD1-O 3.36Å; F498-Y505 VanDerWaalsContact CE1-CB 3.5Å; F498-Y505 HydrophobicContact CZ-CD2 4.47Å; F498-Y505 HydrophobicContact CZ-CG 4.45Å; F498-Y505 PolarHBondContact N-O 2.67Å; F498-Y505 PolarHBondContact O-N 2.87Å; F498-L507 HydrophobicContact CD1-CG 4.04Å; F498-L507 HydrophobicContact CE1-CD1 4.26Å; F498-L507 HydrophobicContact CE1-CD2 3.81Å; F498-L507 HydrophobicContact CE1-CG 3.54Å; F498-L507 HydrophobicContact CZ-CD2 4.17Å; F498-L507 HydrophobicContact CZ-CG 4.21Å; F498-Y549 HydrophobicContact CE2-CD1 4.45Å; F498-Y549 HydrophobicContact CE2-CG 4.21Å; F498-Y549 AromaticContact CZ-CD1 3.69Å; F498-Y549 HydrophobicContact CZ-CD1 3.69Å; F498-Y549 HydrophobicContact CZ-CD2 4.01Å; F498-Y549 HydrophobicContact CZ-CE1 4.12Å; F498-Y549 HydrophobicContact CZ-CE2 4.45Å; F498-Y549 AromaticContact CZ-CG 3.64Å; F498-Y549 HydrophobicContact CZ-CG 3.64Å; F498-A599 HydrophobicContact CD2-CB 4.08Å; F498-V600 HydrophobicContact CD2-CG2 4.34Å; F498-V600 HydrophobicContact CE2-CG2 3.56Å; F498-V600 HydrophobicContact CZ-CG2 4.05Å; F498-A603 HydrophobicContact CB-CB 3.94Å; F498-A603 HydrophobicContact CD1-CB 4.17Å; F498-A603 HydrophobicContact CG-CB 4.08Å
499	L	92.1	Very high	92	Very high	117 Å²	117	78.1 Å²	78.1	61%	0.613	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	132.5	178.4	-165.8	76.7	0	0	0	110.5	A599	L499-A599 WeakPolarHBondContact O-CB 3.35Å
500	H	88.1	Confident	92.4	Very high	44 Å²	44	71.3 Å²	71.3	20%	0.204	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.9	172.1	-173.3	80.6	0	0	0	110.3	F498 G502 Q503 Y505	F498-H500 HydrophobicContact CD2-CB 4.28Å; F498-H500 HydrophobicContact CE2-CB 3.86Å; H500-G502 PolarHBondContact O-N 3.33Å; H500-Q503 PolarHBondContact N-O 3.11Å; H500-Q503 PolarHBondContact O-N 2.99Å; H500-Q503 VanDerWaalsContact O-O 3.05Å; H500-Y505 HydrophobicContact CB-CD2 3.92Å; H500-Y505 HydrophobicContact CB-CE2 4.03Å; H500-Y505 WeakPolarHBondContact O-CE2 3.32Å
501	G	82.8	Confident	92.8	Very high	83 Å²	83	64.3 Å²	64.3	86%	0.856	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	19	179.5	0	0	0	0	0	115.5
502	G	85.8	Confident	93.1	Very high	69 Å²	69	59.1 Å²	59.1	71%	0.711	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	86	0.6	-174.4	0	0	0	0	0	115.3	H500	H500-G502 PolarHBondContact O-N 3.33Å
503	Q	90.8	Very high	93.4	Very high	113 Å²	113	57.4 Å²	57.4	53%	0.528	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	147	175.3	-171.8	172.3	16.2	0	0	110.9	H500 Y505	H500-Q503 PolarHBondContact N-O 3.11Å; H500-Q503 PolarHBondContact O-N 2.99Å; H500-Q503 VanDerWaalsContact O-O 3.05Å; Q503-Y505 HydrophobicContact CB-CE2 3.9Å; Q503-Y505 HydrophobicContact CG-CE1 4.26Å; Q503-Y505 HydrophobicContact CG-CE2 4.28Å; Q503-Y505 PolarHBondContact OE1-OH 2.78Å
504	E	94	Very high	93.4	Very high	131 Å²	131	50.5 Å²	50.5	61%	0.612	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.4	172.1	-171.6	175.9	-110.9	0	0	110.7	P497 F498	P497-E504 HydrophobicContact CB-CG 4.24Å; F498-E504 WeakPolarHBondContact O-CA 3.49Å
505	Y	94.4	Very high	93.4	Very high	36 Å²	36	48.5 Å²	48.5	14%	0.141	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	165.5	174.7	-61	-77.3	0	0	0	110.2	P497 F498 H500 Q503 P548 Y549	P497-Y505 CarbonylContact C-O 3.49Å; P497-Y505 VanDerWaalsContact CA-O 3.28Å; P497-Y505 WeakPolarHBondContact CA-O 3.32Å; F498-Y505 VanDerWaalsContact CD1-O 3.3Å; F498-Y505 WeakPolarHBondContact CD1-O 3.36Å; F498-Y505 VanDerWaalsContact CE1-CB 3.5Å; F498-Y505 HydrophobicContact CZ-CD2 4.47Å; F498-Y505 HydrophobicContact CZ-CG 4.45Å; F498-Y505 PolarHBondContact N-O 2.67Å; F498-Y505 PolarHBondContact O-N 2.87Å; H500-Y505 HydrophobicContact CB-CD2 3.92Å; H500-Y505 HydrophobicContact CB-CE2 4.03Å; H500-Y505 WeakPolarHBondContact O-CE2 3.32Å; Q503-Y505 HydrophobicContact CB-CE2 3.9Å; Q503-Y505 HydrophobicContact CG-CE1 4.26Å; Q503-Y505 HydrophobicContact CG-CE2 4.28Å; Q503-Y505 PolarHBondContact OE1-OH 2.78Å; Y505-P548 HydrophobicContact CE2-CG 4.23Å; Y505-P548 WeakPolarHBondContact OH-CD 3.42Å; Y505-P548 WeakPolarHBondContact OH-CG 3.33Å; Y505-Y549 HydrophobicContact CD1-CD1 4.01Å; Y505-Y549 AromaticContact CD1-CE1 3.87Å; Y505-Y549 HydrophobicContact CD1-CE1 3.87Å; Y505-Y549 AromaticContact CD2-CD1 3.86Å; Y505-Y549 HydrophobicContact CD2-CD1 3.86Å; Y505-Y549 HydrophobicContact CD2-CE1 4.45Å; Y505-Y549 HydrophobicContact CE1-CD1 4.49Å; Y505-Y549 HydrophobicContact CE2-CD1 4.32Å; Y505-Y549 AromaticContact CG-CD1 3.68Å; Y505-Y549 HydrophobicContact CG-CD1 3.68Å; Y505-Y549 AromaticContact CG-CE1 3.8Å; Y505-Y549 HydrophobicContact CG-CE1 3.8Å
506	Q	94.8	Very high	93	Very high	102 Å²	102	40.3 Å²	40.3	48%	0.477	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.1	176.4	-63.4	-179.5	5	0	0	110.8	I496 P497	I496-Q506 WeakPolarHBondContact O-CA 3.39Å; P497-Q506 HydrophobicContact CB-CG 4.48Å
507	L	95.6	Very high	92.4	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	147.7	165.8	-60.4	-177.9	0	0	0	110.7	R495 I496 F498 V513 Y549 V600 A603 I604 L609	R495-L507 CarbonylContact C-O 3.54Å; R495-L507 WeakPolarHBondContact CA-O 3.26Å; I496-L507 PolarHBondContact N-O 2.83Å; I496-L507 PolarHBondContact O-N 3.03Å; F498-L507 HydrophobicContact CD1-CG 4.04Å; F498-L507 HydrophobicContact CE1-CD1 4.26Å; F498-L507 HydrophobicContact CE1-CD2 3.81Å; F498-L507 HydrophobicContact CE1-CG 3.54Å; F498-L507 HydrophobicContact CZ-CD2 4.17Å; F498-L507 HydrophobicContact CZ-CG 4.21Å; L507-V513 HydrophobicContact CD2-CG1 4.28Å; L507-Y549 HydrophobicContact CD2-CD2 4.33Å; L507-Y549 HydrophobicContact CD2-CE2 3.67Å; L507-V600 HydrophobicContact CD1-CG1 4.08Å; L507-A603 HydrophobicContact CD1-CB 3.81Å; L507-A603 HydrophobicContact CG-CB 4.44Å; L507-I604 HydrophobicContact CD1-CG1 3.75Å; L507-L609 HydrophobicContact CB-CD1 3.48Å; L507-L609 VanDerWaalsContact CB-CD1 3.48Å
508	A	96.4	Very high	91.2	Very high	26 Å²	26	36.5 Å²	36.5	22%	0.215	22%	0.219	C	C	.	.			trans	-138.9	176.8	172.8	0	0	0	0	0	109.9	R495 G510 S511	R495-A508 HydrophobicContact CG-CB 4.32Å; A508-G510 PolarHBondContact O-N 2.77Å; A508-S511 PolarHBondContact N-OG 3.05Å; A508-S511 WeakPolarHBondContact O-CB 3.11Å; A508-S511 PolarHBondContact O-N 3.39Å; A508-S511 PolarHBondContact O-OG 3.25Å; A508-S511 VanDerWaalsContact O-OG 3.05Å
509	H	96.8	Very high	89.5	Confident	18 Å²	18	36 Å²	36	8%	0.083	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	131.3	169.2	-69	-86.7	0	0	0	110.3	F472 L476 K491 Q492 D608 V610	F472-H509 HydrophobicContact CE1-CB 4.36Å; F472-H509 HydrophobicContact CZ-CB 4.49Å; L476-H509 HydrophobicContact CD1-CB 3.92Å; L476-H509 HydrophobicContact CD2-CB 4.04Å; K491-H509 PolarHBondContact O-NE2 3.22Å; Q492-H509 PolarHBondContact O-CD2 3.08Å; H509-D608 PolarHBondContact CE1-O 3.39Å; H509-V610 PolarHBondContact ND1-N 2.96Å; H509-V610 VanDerWaalsContact ND1-N 3.18Å
510	G	95.8	Very high	87.6	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-5.6	-178.6	0	0	0	0	0	114.8	F472 A508 V512 V610 T648 V649	F472-G510 VanDerWaalsContact CZ-N 3.26Å; A508-G510 PolarHBondContact O-N 2.77Å; G510-V512 PolarHBondContact O-N 3.35Å; G510-V610 PolarHBondContact N-O 2.89Å; G510-T648 CarbonylContact O-C 3.59Å; G510-T648 WeakPolarHBondContact O-CA 3.23Å; G510-T648 PolarHBondContact O-OG1 3.44Å; G510-V649 PolarHBondContact O-N 3.46Å
511	S	97.4	Very high	85.9	Confident	11 Å²	11	35.6 Å²	35.6	8%	0.077	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-58.7	128.1	175.8	-66.2	0	0	0	0	111.5	A508 C612 G647	A508-S511 PolarHBondContact N-OG 3.05Å; A508-S511 WeakPolarHBondContact O-CB 3.11Å; A508-S511 PolarHBondContact O-N 3.39Å; A508-S511 PolarHBondContact O-OG 3.25Å; A508-S511 VanDerWaalsContact O-OG 3.05Å; S511-C612 PolarHBondContact O-N 3.23Å; S511-G647 WeakPolarHBondContact CA-O 3.29Å
512	V	96.9	Very high	84.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	126.8	174.1	176.6	0	0	0	0	108	G510 A515 I550 C612 V614 G647 V649	G510-V512 PolarHBondContact O-N 3.35Å; V512-A515 HydrophobicContact CG1-CB 4.36Å; V512-I550 HydrophobicContact CG1-CG2 4.15Å; V512-I550 WeakPolarHBondContact O-CG1 3.45Å; V512-C612 WeakPolarHBondContact CA-O 3.27Å; V512-V614 HydrophobicContact CG1-CG2 4.38Å; V512-V614 HydrophobicContact CG2-CG2 4.05Å; V512-G647 PolarHBondContact N-O 2.75Å; V512-V649 HydrophobicContact CG2-CG1 3.63Å
513	V	94.9	Very high	83.3	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-16.4	177.1	-64	0	0	0	0	112.7	L507 R551 L596 V600 I604 A611 C612 V629	L507-V513 HydrophobicContact CD2-CG1 4.28Å; V513-R551 PolarHBondContact O-N 3.33Å; V513-L596 HydrophobicContact CB-CD1 4.2Å; V513-L596 HydrophobicContact CB-CD2 4.4Å; V513-L596 HydrophobicContact CG2-CD1 3.85Å; V513-L596 WeakPolarHBondContact O-CD2 3.14Å; V513-V600 HydrophobicContact CB-CG1 4.24Å; V513-V600 HydrophobicContact CG1-CG1 3.85Å; V513-I604 HydrophobicContact CG1-CD1 4.34Å; V513-I604 HydrophobicContact CG2-CD1 4.4Å; V513-A611 HydrophobicContact CG1-CB 4.49Å; V513-A611 HydrophobicContact CG2-CB 4.02Å; V513-C612 PolarHBondContact N-O 3.18Å; V513-V629 HydrophobicContact CG2-CG2 3.56Å
514	I	90.3	Very high	81.6	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	130.6	172.6	-60.2	170.4	0	0	0	108.4	R551 T593 L596 G613 V614 L625 V629	I514-R551 HydrophobicContact CG1-CB 4.47Å; I514-T593 HydrophobicContact CD1-CG2 4.24Å; I514-T593 HydrophobicContact CG2-CG2 4.34Å; I514-L596 HydrophobicContact CD1-CD1 4.42Å; I514-L596 HydrophobicContact CD1-CD2 4.48Å; I514-L596 HydrophobicContact CG1-CD1 4.39Å; I514-L596 HydrophobicContact CG1-CD2 3.84Å; I514-L596 HydrophobicContact CG1-CG 4.37Å; I514-G613 WeakPolarHBondContact O-CA 3.33Å; I514-V614 PolarHBondContact O-N 3.27Å; I514-L625 HydrophobicContact CB-CD1 4.48Å; I514-L625 HydrophobicContact CD1-CB 3.93Å; I514-L625 HydrophobicContact CD1-CD1 4.13Å; I514-L625 HydrophobicContact CG2-CD1 4.22Å; I514-V629 HydrophobicContact CD1-CG2 4.03Å
515	A	92.9	Very high	80.3	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	107.8	174.1	0	0	0	0	0	110.1	V512 I550 R551 T552 S553 F579 V614 V640 A644	V512-A515 HydrophobicContact CG1-CB 4.36Å; A515-I550 HydrophobicContact CB-CG2 4.24Å; A515-R551 PolarHBondContact N-O 3.29Å; A515-T552 HydrophobicContact CB-CG2 4.1Å; A515-T552 CarbonylContact O-C 3.5Å; A515-T552 VanDerWaalsContact O-CA 3.25Å; A515-T552 WeakPolarHBondContact O-CA 3.38Å; A515-S553 PolarHBondContact O-N 2.98Å; A515-S553 VanDerWaalsContact O-N 3.09Å; A515-F579 HydrophobicContact CB-CE1 4.29Å; A515-F579 HydrophobicContact CB-CZ 4.09Å; A515-F579 WeakPolarHBondContact O-CE1 3.41Å; A515-V614 CarbonylContact C-O 3.6Å; A515-V614 VanDerWaalsContact CA-O 3.29Å; A515-V614 WeakPolarHBondContact CA-O 3.44Å; A515-V640 HydrophobicContact CB-CG1 4.07Å; A515-A644 HydrophobicContact CB-CB 3.63Å
516	A	86.3	Confident	79.4	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	108.4	-168.5	0	0	0	0	0	113.1	I518 S553 T588 V614 L615 S616	A516-I518 HydrophobicContact CB-CD1 4.48Å; A516-I518 HydrophobicContact CB-CG2 3.85Å; A516-I518 PolarHBondContact O-N 2.94Å; A516-S553 WeakPolarHBondContact CB-OG 3.42Å; A516-T588 HydrophobicContact CB-CG2 3.7Å; A516-V614 PolarHBondContact N-O 3.2Å; A516-L615 HydrophobicContact CB-CB 4.12Å; A516-L615 CarbonylContact O-C 3.34Å; A516-L615 WeakPolarHBondContact O-CA 3.5Å; A516-S616 PolarHBondContact O-N 2.73Å
517	V	85.3	Confident	78.7	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	104.4	172.7	179.2	0	0	0	0	108.5	M529 S553 L554 A555 F579 S616 P637 V640 V641	V517-M529 HydrophobicContact CG1-CE 3.71Å; V517-M529 HydrophobicContact CG1-SD 3.85Å; V517-S553 PolarHBondContact N-O 3.19Å; V517-L554 HydrophobicContact CB-CD1 3.95Å; V517-L554 HydrophobicContact CG1-CD1 3.67Å; V517-L554 CarbonylContact O-C 3.58Å; V517-L554 WeakPolarHBondContact O-CA 3.33Å; V517-A555 PolarHBondContact O-N 3.44Å; V517-F579 HydrophobicContact CB-CD1 4.43Å; V517-F579 HydrophobicContact CG2-CD1 3.89Å; V517-F579 HydrophobicContact CG2-CE1 3.74Å; V517-S616 WeakPolarHBondContact CA-OG 3.43Å; V517-P637 HydrophobicContact CG1-CB 3.9Å; V517-P637 HydrophobicContact CG1-CG 4.27Å; V517-V640 HydrophobicContact CG2-CB 3.95Å; V517-V640 HydrophobicContact CG2-CG1 3.86Å; V517-V641 HydrophobicContact CG2-CG2 4.2Å
518	I	70.4	Confident	78.1	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	174.3	-166.6	67.3	-176.6	0	0	0	112.3	A516 N523 A555 T588 C589 L615 S616	A516-I518 HydrophobicContact CB-CD1 4.48Å; A516-I518 HydrophobicContact CB-CG2 3.85Å; A516-I518 PolarHBondContact O-N 2.94Å; I518-N523 PolarHBondContact O-ND2 2.74Å; I518-N523 PolarHBondContact O-OD1 2.88Å; I518-A555 WeakPolarHBondContact CA-O 3.3Å; I518-A555 HydrophobicContact CB-CB 4.43Å; I518-A555 HydrophobicContact CG2-CB 3.84Å; I518-T588 HydrophobicContact CD1-CG2 4.3Å; I518-C589 HydrophobicContact CD1-CB 3.71Å; I518-C589 HydrophobicContact CG1-CB 4.41Å; I518-L615 HydrophobicContact CD1-CB 3.92Å; I518-L615 HydrophobicContact CD1-CD1 3.72Å; I518-L615 HydrophobicContact CD1-CG 4.47Å; I518-L615 HydrophobicContact CG1-CB 4.45Å; I518-S616 PolarHBondContact N-OG 2.96Å; I518-S616 CarbonylContact O-C 3.54Å; I518-S616 PolarHBondContact O-OG 3.04Å
519	S	58	Low	77.6	Confident	4 Å²	4	16.4 Å²	16.4	3%	0.028	10%	0.104	C	C	.	.			trans	92.9	137.7	163.2	-162.8	0	0	0	0	117.8	T521 N523 S616	S519-T521 PolarHBondContact O-N 3.08Å; S519-T521 PolarHBondContact OG-N 3.34Å; S519-T521 VanDerWaalsContact OG-N 3.13Å; S519-T521 PolarHBondContact OG-OG1 2.92Å; S519-N523 WeakPolarHBondContact O-CB 3.23Å; S519-N523 PolarHBondContact O-N 3.32Å; S519-S616 VanDerWaalsContact CB-O 3.27Å; S519-S616 WeakPolarHBondContact CB-O 3Å
520	C	51.7	Low	77.2	Confident	84 Å²	84	15.5 Å²	15.5	57%	0.568	10%	0.1	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-11.3	165.7	56.9	0	0	0	0	114.1	C524	C520-C524 PolarHBondContact O-SG 3.25Å
521	T	53	Low	76.9	Confident	68 Å²	68	16 Å²	16	42%	0.417	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-34	178.2	-41.4	0	0	0	0	112.8	S519 N618	S519-T521 PolarHBondContact O-N 3.08Å; S519-T521 PolarHBondContact OG-N 3.34Å; S519-T521 VanDerWaalsContact OG-N 3.13Å; S519-T521 PolarHBondContact OG-OG1 2.92Å; T521-N618 PolarHBondContact OG1-ND2 3.23Å; T521-N618 VanDerWaalsContact OG1-ND2 3.17Å
522	N	58.5	Low	76.6	Confident	19 Å²	19	15.5 Å²	15.5	10%	0.102	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	-34.5	-177.3	-73.9	-57.2	0	0	0	112.6	I341 C524 N525 S616 P637	I341-N522 WeakPolarHBondContact CG1-OD1 3.3Å; N522-C524 PolarHBondContact O-N 3.06Å; N522-N525 PolarHBondContact O-N 3.22Å; N522-S616 PolarHBondContact ND2-O 3Å; N522-P637 HydrophobicContact CB-CG 4.15Å
523	N	56.2	Low	76.4	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-1	-171.2	-57.8	-2.8	0	0	0	113.5	I518 S519 M529 A555 V561	I518-N523 PolarHBondContact O-ND2 2.74Å; I518-N523 PolarHBondContact O-OD1 2.88Å; S519-N523 WeakPolarHBondContact O-CB 3.23Å; S519-N523 PolarHBondContact O-N 3.32Å; N523-M529 HydrophobicContact CB-CG 4.38Å; N523-M529 HydrophobicContact CB-SD 4.27Å; N523-M529 PolarHBondContact OD1-SD 2.65Å; N523-M529 VanDerWaalsContact OD1-SD 3.33Å; N523-A555 PolarHBondContact ND2-O 2.98Å; N523-V561 HydrophobicContact CB-CG2 4.4Å; N523-V561 WeakPolarHBondContact O-CG2 3.36Å
524	C	53.3	Low	76.3	Confident	93 Å²	93	16.1 Å²	16.1	63%	0.628	10%	0.103	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-13.4	176	-66.9	0	0	0	0	113.8	C520 N522	C520-C524 PolarHBondContact O-SG 3.25Å; N522-C524 PolarHBondContact O-N 3.06Å
525	N	68.4	Low	76.5	Confident	13 Å²	13	16 Å²	16	7%	0.07	10%	0.103	C	C	.	.			trans	-97.8	115.4	173.1	178	-70.4	0	0	0	108.8	T378 N522 S527 V528	T378-N525 PolarHBondContact OG1-ND2 3.3Å; N522-N525 PolarHBondContact O-N 3.22Å; N525-S527 WeakPolarHBondContact OD1-CA 3.18Å; N525-S527 WeakPolarHBondContact OD1-CB 3.35Å; N525-S527 PolarHBondContact OD1-N 3.07Å; N525-S527 VanDerWaalsContact OD1-N 3.14Å; N525-S527 PolarHBondContact OD1-OG 2.87Å; N525-V528 HydrophobicContact CB-CG2 4.45Å; N525-V528 WeakPolarHBondContact OD1-CG2 3.26Å; N525-V528 PolarHBondContact OD1-N 2.93Å; N525-V528 VanDerWaalsContact OD1-N 3.11Å
526	P	75.3	Confident	76.7	Confident	28 Å²	28	16 Å²	16	18%	0.182	10%	0.103	C	C	.	.	H	α-helix	trans	-66.5	-37.5	-176.5	-16.1	29	0	0	0	112.6	V528 M529 L530 Y564 E683 V687	P526-V528 VanDerWaalsContact C-N 3.33Å; P526-V528 PolarHBondContact O-N 2.89Å; P526-M529 PolarHBondContact O-N 3.42Å; P526-L530 HydrophobicContact CB-CD1 4.31Å; P526-L530 WeakPolarHBondContact O-CB 3.4Å; P526-L530 VanDerWaalsContact O-CG 3.29Å; P526-L530 WeakPolarHBondContact O-CG 3.36Å; P526-L530 PolarHBondContact O-N 3.03Å; P526-Y564 HydrophobicContact CB-CD1 4.34Å; P526-Y564 HydrophobicContact CB-CE1 3.87Å; P526-Y564 HydrophobicContact CB-CE2 4.2Å; P526-Y564 HydrophobicContact CG-CE1 4.13Å; P526-E683 HydrophobicContact CB-CG 4.41Å; P526-E683 WeakPolarHBondContact CB-OE1 3.49Å; P526-V687 HydrophobicContact CB-CG1 4.45Å
527	S	80	Confident	77.1	Confident	4 Å²	4	19.5 Å²	19.5	3%	0.028	12%	0.118	C	C	.	.	H	α-helix	trans	-48.6	-50.8	177.6	-33.1	0	0	0	0	112	N525 M529 L530 T531 V679 E683	N525-S527 WeakPolarHBondContact OD1-CA 3.18Å; N525-S527 WeakPolarHBondContact OD1-CB 3.35Å; N525-S527 PolarHBondContact OD1-N 3.07Å; N525-S527 VanDerWaalsContact OD1-N 3.14Å; N525-S527 PolarHBondContact OD1-OG 2.87Å; S527-M529 PolarHBondContact O-N 3.48Å; S527-L530 PolarHBondContact O-N 2.99Å; S527-T531 PolarHBondContact O-N 3.23Å; S527-T531 PolarHBondContact O-OG1 3.48Å; S527-V679 WeakPolarHBondContact O-CG1 3.43Å; S527-E683 WeakPolarHBondContact CB-OE2 3.05Å; S527-E683 PolarHBondContact N-OE1 3.43Å; S527-E683 VanDerWaalsContact N-OE1 3.12Å; S527-E683 PolarHBondContact OG-OE1 3.07Å; S527-E683 VanDerWaalsContact OG-OE1 3.04Å; S527-E683 PolarHBondContact OG-OE2 3.18Å
528	V	82.4	Confident	77.6	Confident	1 Å²	1	22 Å²	22	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-68.4	-36.9	-176.4	-173.8	0	0	0	0	112.8	I341 N525 P526 T531 A532 P637	I341-V528 HydrophobicContact CB-CG2 4.41Å; I341-V528 HydrophobicContact CG2-CG1 4.45Å; I341-V528 HydrophobicContact CG2-CG2 4.26Å; N525-V528 HydrophobicContact CB-CG2 4.45Å; N525-V528 WeakPolarHBondContact OD1-CG2 3.26Å; N525-V528 PolarHBondContact OD1-N 2.93Å; N525-V528 VanDerWaalsContact OD1-N 3.11Å; P526-V528 VanDerWaalsContact C-N 3.33Å; P526-V528 PolarHBondContact O-N 2.89Å; V528-T531 WeakPolarHBondContact O-CB 3.38Å; V528-A532 PolarHBondContact O-N 3.11Å; V528-A532 VanDerWaalsContact O-N 3.14Å; V528-P637 HydrophobicContact CG1-CB 4.27Å; V528-P637 HydrophobicContact CG1-CG 3.93Å
529	M	85.4	Confident	78.8	Confident	0 Å²	0	22 Å²	22	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-73.5	-34.4	176.6	-71.9	-60.1	-57.7	0	0	112.1	V517 N523 P526 S527 A532 G533 L554 V561 Y564 L565 P637	V517-M529 HydrophobicContact CG1-CE 3.71Å; V517-M529 HydrophobicContact CG1-SD 3.85Å; N523-M529 HydrophobicContact CB-CG 4.38Å; N523-M529 HydrophobicContact CB-SD 4.27Å; N523-M529 PolarHBondContact OD1-SD 2.65Å; N523-M529 VanDerWaalsContact OD1-SD 3.33Å; P526-M529 PolarHBondContact O-N 3.42Å; S527-M529 PolarHBondContact O-N 3.48Å; M529-A532 PolarHBondContact O-N 2.81Å; M529-G533 PolarHBondContact O-N 2.9Å; M529-L554 HydrophobicContact CE-CD1 3.79Å; M529-V561 HydrophobicContact CE-CG1 4.09Å; M529-V561 HydrophobicContact CG-CG1 4.39Å; M529-Y564 HydrophobicContact CB-CE2 3.82Å; M529-Y564 WeakPolarHBondContact CB-OH 3.46Å; M529-Y564 VanDerWaalsContact CG-OH 3.31Å; M529-Y564 WeakPolarHBondContact CG-OH 3.22Å; M529-L565 HydrophobicContact CB-CD2 4.28Å; M529-L565 HydrophobicContact CE-CD1 3.85Å; M529-P637 HydrophobicContact SD-CB 3.75Å; M529-P637 HydrophobicContact SD-CG 3.66Å
530	L	88.4	Confident	80.6	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-68.9	-39.2	171.4	-71.2	168.2	0	0	0	111.5	P526 S527 A532 G533 L534 Y564 L565 S568 V679 T682 E683 V687	P526-L530 HydrophobicContact CB-CD1 4.31Å; P526-L530 WeakPolarHBondContact O-CB 3.4Å; P526-L530 VanDerWaalsContact O-CG 3.29Å; P526-L530 WeakPolarHBondContact O-CG 3.36Å; P526-L530 PolarHBondContact O-N 3.03Å; S527-L530 PolarHBondContact O-N 2.99Å; L530-A532 VanDerWaalsContact C-N 3.29Å; L530-A532 PolarHBondContact O-N 3.45Å; L530-G533 PolarHBondContact O-N 3.4Å; L530-L534 VanDerWaalsContact O-CB 3.31Å; L530-L534 WeakPolarHBondContact O-CB 3.4Å; L530-L534 VanDerWaalsContact O-CG 3.32Å; L530-L534 WeakPolarHBondContact O-CG 3.12Å; L530-L534 PolarHBondContact O-N 3.48Å; L530-Y564 HydrophobicContact CD2-CD2 4.21Å; L530-Y564 HydrophobicContact CG-CD2 4.31Å; L530-Y564 HydrophobicContact CG-CE2 4.34Å; L530-L565 HydrophobicContact CD2-CD2 4.41Å; L530-S568 VanDerWaalsContact CD2-OG 3.3Å; L530-S568 WeakPolarHBondContact CD2-OG 3.34Å; L530-V679 HydrophobicContact CB-CG1 4.32Å; L530-T682 HydrophobicContact CD2-CG2 4.37Å; L530-E683 HydrophobicContact CD1-CB 3.61Å; L530-E683 HydrophobicContact CD1-CG 3.97Å; L530-V687 HydrophobicContact CD1-CB 4.39Å; L530-V687 HydrophobicContact CD1-CG2 3.86Å; L530-V687 HydrophobicContact CD2-CG2 3.95Å; L530-V687 HydrophobicContact CG-CG2 4.47Å
531	T	90.1	Very high	82.6	Confident	11 Å²	11	24.7 Å²	24.7	7%	0.067	13%	0.134	C	C	.	.	H	α-helix	trans	-53.4	-49.2	169.6	-53.8	0	0	0	0	110.1	S527 V528 G533 M535 P638 W673 P674	S527-T531 PolarHBondContact O-N 3.23Å; S527-T531 PolarHBondContact O-OG1 3.48Å; V528-T531 WeakPolarHBondContact O-CB 3.38Å; T531-G533 PolarHBondContact O-N 3.08Å; T531-M535 WeakPolarHBondContact O-CB 3.1Å; T531-M535 PolarHBondContact O-N 3.04Å; T531-P638 HydrophobicContact CG2-CB 3.92Å; T531-P638 HydrophobicContact CG2-CG 3.9Å; T531-W673 HydrophobicContact CG2-CZ2 4.28Å; T531-P674 HydrophobicContact CG2-CG 3.82Å
532	A	91.6	Very high	84.5	Confident	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-62.9	-40.8	178.5	0	0	0	0	0	113.1	V528 M529 L530 A536 F574 P637 P638	V528-A532 PolarHBondContact O-N 3.11Å; V528-A532 VanDerWaalsContact O-N 3.14Å; M529-A532 PolarHBondContact O-N 2.81Å; L530-A532 VanDerWaalsContact C-N 3.29Å; L530-A532 PolarHBondContact O-N 3.45Å; A532-A536 WeakPolarHBondContact O-CB 3.46Å; A532-A536 PolarHBondContact O-N 3.39Å; A532-F574 HydrophobicContact CB-CE1 4.18Å; A532-F574 HydrophobicContact CB-CZ 3.64Å; A532-P637 HydrophobicContact CB-CB 3.88Å; A532-P638 HydrophobicContact CB-CB 4.13Å
533	G	92.1	Very high	86.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-72.6	-40.7	179	0	0	0	0	0	114.3	M529 L530 T531 M535 A536 K537	M529-G533 PolarHBondContact O-N 2.9Å; L530-G533 PolarHBondContact O-N 3.4Å; T531-G533 PolarHBondContact O-N 3.08Å; G533-M535 VanDerWaalsContact C-N 3.35Å; G533-A536 WeakPolarHBondContact O-CB 3.14Å; G533-A536 PolarHBondContact O-N 3.03Å; G533-K537 PolarHBondContact O-N 2.87Å
534	L	93.5	Very high	88	Confident	12 Å²	12	24.3 Å²	24.3	6%	0.063	14%	0.144	C	C	.	.	H	α-helix	trans	-67.4	-37.6	174.7	-70.9	168	0	0	0	111.1	L530 K537 K538 V570 P674 E678 V679 T682	L530-L534 VanDerWaalsContact O-CB 3.31Å; L530-L534 WeakPolarHBondContact O-CB 3.4Å; L530-L534 VanDerWaalsContact O-CG 3.32Å; L530-L534 WeakPolarHBondContact O-CG 3.12Å; L530-L534 PolarHBondContact O-N 3.48Å; L534-K537 WeakPolarHBondContact O-CB 2.81Å; L534-K537 PolarHBondContact O-N 3.39Å; L534-K538 WeakPolarHBondContact O-CG 3.46Å; L534-K538 PolarHBondContact O-N 3.21Å; L534-V570 HydrophobicContact CD2-CG1 3.95Å; L534-V570 HydrophobicContact CG-CG1 4.2Å; L534-P674 HydrophobicContact CB-CB 3.92Å; L534-P674 HydrophobicContact CB-CG 3.98Å; L534-P674 HydrophobicContact CD1-CB 4.41Å; L534-E678 HydrophobicContact CD1-CG 4.42Å; L534-V679 HydrophobicContact CD1-CG2 4.03Å; L534-T682 HydrophobicContact CD1-CG2 4.42Å
535	M	94.6	Very high	89.9	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.4	-41.6	171.3	-165	-163.3	74	0	0	111.6	T531 G533 K537 K538 A539 P638 V641 A642 L669 I672 W673	T531-M535 WeakPolarHBondContact O-CB 3.1Å; T531-M535 PolarHBondContact O-N 3.04Å; G533-M535 VanDerWaalsContact C-N 3.35Å; M535-K537 VanDerWaalsContact C-N 3.32Å; M535-K537 PolarHBondContact O-N 2.88Å; M535-K538 PolarHBondContact O-N 3.02Å; M535-A539 VanDerWaalsContact O-CB 3.29Å; M535-A539 WeakPolarHBondContact O-CB 3.39Å; M535-A539 PolarHBondContact O-N 3.43Å; M535-P638 WeakPolarHBondContact CE-O 3.34Å; M535-P638 HydrophobicContact SD-CB 4.29Å; M535-V641 HydrophobicContact CE-CB 3.51Å; M535-V641 HydrophobicContact CE-CG1 3.42Å; M535-V641 VanDerWaalsContact CE-CG1 3.42Å; M535-A642 HydrophobicContact CE-CB 4.21Å; M535-A642 HydrophobicContact SD-CB 4.42Å; M535-L669 HydrophobicContact SD-CD1 4.05Å; M535-I672 WeakPolarHBondContact CA-O 3.07Å; M535-I672 HydrophobicContact CG-CB 4.42Å; M535-I672 HydrophobicContact CG-CD1 3.9Å; M535-I672 HydrophobicContact CG-CG1 4.03Å; M535-I672 VanDerWaalsContact CG-O 3.31Å; M535-I672 WeakPolarHBondContact CG-O 3.34Å; M535-I672 HydrophobicContact SD-CD1 4.33Å; M535-W673 HydrophobicContact SD-CE3 3.73Å; M535-W673 HydrophobicContact SD-CZ3 3.99Å
536	A	95.3	Very high	91.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.5	-41.6	173.8	0	0	0	0	0	111.9	A532 G533 A539 V540 F574 L577 V641	A532-A536 WeakPolarHBondContact O-CB 3.46Å; A532-A536 PolarHBondContact O-N 3.39Å; G533-A536 WeakPolarHBondContact O-CB 3.14Å; G533-A536 PolarHBondContact O-N 3.03Å; A536-A539 PolarHBondContact O-N 3.33Å; A536-V540 WeakPolarHBondContact O-CG2 3.42Å; A536-V540 PolarHBondContact O-N 2.89Å; A536-F574 HydrophobicContact CB-CD1 4.41Å; A536-L577 HydrophobicContact CB-CD1 3.71Å; A536-V641 HydrophobicContact CB-CG1 4.5Å
537	K	95.5	Very high	92.1	Very high	72 Å²	72	27.4 Å²	27.4	31%	0.313	15%	0.153	S	C	.	.	H	α-helix	trans	-58.7	-55	173.2	173.8	177.2	176.6	-170.5	0	111.8	G533 L534 M535 A539 V540 E541 Y573	G533-K537 PolarHBondContact O-N 2.87Å; L534-K537 WeakPolarHBondContact O-CB 2.81Å; L534-K537 PolarHBondContact O-N 3.39Å; M535-K537 VanDerWaalsContact C-N 3.32Å; M535-K537 PolarHBondContact O-N 2.88Å; K537-A539 VanDerWaalsContact C-N 3.29Å; K537-A539 PolarHBondContact O-N 2.82Å; K537-V540 PolarHBondContact O-N 2.98Å; K537-E541 VanDerWaalsContact CE-CD 3.48Å; K537-E541 WeakPolarHBondContact CE-OE1 3.4Å; K537-E541 WeakPolarHBondContact CE-OE2 3.42Å; K537-E541 HydrophobicContact CG-CG 4.39Å; K537-E541 IonicContact NZ-OE1 3.29Å; K537-E541 WeakPolarHBondContact O-CB 3.38Å; K537-E541 WeakPolarHBondContact O-CG 3.49Å; K537-E541 PolarHBondContact O-N 2.91Å; K537-Y573 HydrophobicContact CB-CD1 4.03Å; K537-Y573 HydrophobicContact CB-CD2 3.96Å; K537-Y573 HydrophobicContact CB-CE1 4.34Å; K537-Y573 HydrophobicContact CB-CE2 4.29Å; K537-Y573 HydrophobicContact CB-CG 3.8Å; K537-Y573 HydrophobicContact CD-CD2 4.46Å; K537-Y573 HydrophobicContact CD-CE2 4Å; K537-Y573 HydrophobicContact CG-CD1 4.03Å; K537-Y573 HydrophobicContact CG-CD2 4.12Å; K537-Y573 HydrophobicContact CG-CE1 3.82Å; K537-Y573 HydrophobicContact CG-CE2 3.93Å; K537-Y573 HydrophobicContact CG-CG 4.15Å
538	K	95.7	Very high	92.6	Very high	53 Å²	53	31.1 Å²	31.1	23%	0.23	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-37.3	179	-69.8	165.8	-170.1	-82.4	0	112.4	L534 M535 A542 I672 E678	L534-K538 WeakPolarHBondContact O-CG 3.46Å; L534-K538 PolarHBondContact O-N 3.21Å; M535-K538 PolarHBondContact O-N 3.02Å; K538-A542 VanDerWaalsContact O-CB 3.28Å; K538-A542 WeakPolarHBondContact O-CB 3.36Å; K538-A542 PolarHBondContact O-N 2.81Å; K538-I672 HydrophobicContact CB-CB 3.98Å; K538-I672 HydrophobicContact CB-CG2 4.23Å; K538-I672 WeakPolarHBondContact CD-O 3.46Å; K538-E678 VanDerWaalsContact CE-CD 3.42Å; K538-E678 WeakPolarHBondContact CE-OE1 3.5Å; K538-E678 WeakPolarHBondContact CE-OE2 3.44Å; K538-E678 IonicContact NZ-OE1 3.37Å; K538-E678 PolarHBondContact NZ-OE1 3.17Å; K538-E678 IonicContact NZ-OE2 2.74Å; K538-E678 PolarHBondContact NZ-OE2 2.78Å
539	A	95.6	Very high	93	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.5	-48.9	175.7	0	0	0	0	0	112.1	M535 A536 K537 A542 G543 L544 L577 I645 I672	M535-A539 VanDerWaalsContact O-CB 3.29Å; M535-A539 WeakPolarHBondContact O-CB 3.39Å; M535-A539 PolarHBondContact O-N 3.43Å; A536-A539 PolarHBondContact O-N 3.33Å; K537-A539 VanDerWaalsContact C-N 3.29Å; K537-A539 PolarHBondContact O-N 2.82Å; A539-A542 CarbonylContact O-C 3.54Å; A539-A542 PolarHBondContact O-N 2.94Å; A539-G543 PolarHBondContact O-N 3.16Å; A539-L544 HydrophobicContact CB-CB 4.23Å; A539-L544 HydrophobicContact CB-CD1 4.27Å; A539-L544 WeakPolarHBondContact O-CB 3.39Å; A539-L544 PolarHBondContact O-N 3.35Å; A539-L577 HydrophobicContact CB-CD1 4.38Å; A539-I645 HydrophobicContact CB-CD1 3.71Å; A539-I672 HydrophobicContact CB-CD1 3.93Å
540	V	95.4	Very high	93.4	Very high	29 Å²	29	31.7 Å²	31.7	18%	0.176	18%	0.18	C	C	.	.	H	α-helix	trans	-63.9	-43.1	176.9	166.7	0	0	0	0	111.4	A536 K537 A542 G543 Y573 Q576 L577	A536-V540 WeakPolarHBondContact O-CG2 3.42Å; A536-V540 PolarHBondContact O-N 2.89Å; K537-V540 PolarHBondContact O-N 2.98Å; V540-A542 PolarHBondContact O-N 3.43Å; V540-G543 WeakPolarHBondContact O-CA 3.43Å; V540-G543 PolarHBondContact O-N 2.94Å; V540-Y573 HydrophobicContact CB-CD1 3.89Å; V540-Y573 HydrophobicContact CG1-CD1 3.8Å; V540-Y573 HydrophobicContact CG1-CE1 4.27Å; V540-Y573 HydrophobicContact CG2-CD1 4.38Å; V540-Q576 HydrophobicContact CG2-CB 4.13Å; V540-L577 HydrophobicContact CG2-CD1 4.45Å; V540-L577 HydrophobicContact CG2-CD2 3.73Å; V540-L577 HydrophobicContact CG2-CG 3.84Å
541	E	94.3	Very high	93.4	Very high	115 Å²	115	37.1 Å²	37.1	54%	0.537	20%	0.201	S	C	.	.	H	α-helix	trans	-64.2	-29	176.4	-71.9	173.9	163.4	0	0	112.2	K537 G543 Y573	K537-E541 VanDerWaalsContact CE-CD 3.48Å; K537-E541 WeakPolarHBondContact CE-OE1 3.4Å; K537-E541 WeakPolarHBondContact CE-OE2 3.42Å; K537-E541 HydrophobicContact CG-CG 4.39Å; K537-E541 IonicContact NZ-OE1 3.29Å; K537-E541 WeakPolarHBondContact O-CB 3.38Å; K537-E541 WeakPolarHBondContact O-CG 3.49Å; K537-E541 PolarHBondContact O-N 2.91Å; E541-G543 VanDerWaalsContact C-N 3.29Å; E541-Y573 HydrophobicContact CG-CE1 4.33Å
542	A	93.4	Very high	93.4	Very high	24 Å²	24	37.5 Å²	37.5	20%	0.198	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-0.6	170.6	0	0	0	0	0	114.2	K538 A539 V540 L544 V667 I672	K538-A542 VanDerWaalsContact O-CB 3.28Å; K538-A542 WeakPolarHBondContact O-CB 3.36Å; K538-A542 PolarHBondContact O-N 2.81Å; A539-A542 CarbonylContact O-C 3.54Å; A539-A542 PolarHBondContact O-N 2.94Å; V540-A542 PolarHBondContact O-N 3.43Å; A542-L544 HydrophobicContact CB-CG 4.46Å; A542-V667 HydrophobicContact CB-CG1 4.29Å; A542-V667 HydrophobicContact CB-CG2 4.3Å; A542-I672 HydrophobicContact CB-CG2 4.46Å
543	G	93.6	Very high	92.9	Very high	47 Å²	47	37.9 Å²	37.9	49%	0.485	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	12	-179.5	0	0	0	0	0	115.3	A539 V540 E541	A539-G543 PolarHBondContact O-N 3.16Å; V540-G543 WeakPolarHBondContact O-CA 3.43Å; V540-G543 PolarHBondContact O-N 2.94Å; E541-G543 VanDerWaalsContact C-N 3.29Å
544	L	94.5	Very high	92.4	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.047	21%	0.206	C	C	.	.			trans	-76.8	143.4	176.6	-57.8	179.5	0	0	0	111.3	A539 A542 I645 L658 V667 I672	A539-L544 HydrophobicContact CB-CB 4.23Å; A539-L544 HydrophobicContact CB-CD1 4.27Å; A539-L544 WeakPolarHBondContact O-CB 3.39Å; A539-L544 PolarHBondContact O-N 3.35Å; A542-L544 HydrophobicContact CB-CG 4.46Å; L544-I645 HydrophobicContact CB-CG2 4.11Å; L544-I645 HydrophobicContact CD1-CG2 4.11Å; L544-L658 HydrophobicContact CD1-CB 4.12Å; L544-L658 HydrophobicContact CD1-CD1 4.39Å; L544-V667 HydrophobicContact CD1-CB 4.24Å; L544-V667 HydrophobicContact CD1-CG1 3.88Å; L544-V667 HydrophobicContact CD2-CB 4.33Å; L544-V667 HydrophobicContact CD2-CG2 4.45Å; L544-I672 HydrophobicContact CD1-CD1 4.28Å; L544-I672 HydrophobicContact CD1-CG2 4.41Å
545	V	93.8	Very high	91.2	Very high	105 Å²	105	37.3 Å²	37.3	64%	0.636	20%	0.203	S	C	*	.			trans	-132.2	149.1	179.2	-64	0	0	0	0	111.1
546	V	95.2	Very high	89.7	Confident	18 Å²	18	37.3 Å²	37.3	11%	0.109	20%	0.203	C	C	.	.			trans	-79.8	136.9	166.4	175.5	0	0	0	0	108.6	I550 T552 L577 F579 A644 I645	V546-I550 HydrophobicContact CG1-CB 4.02Å; V546-I550 HydrophobicContact CG1-CD1 4.18Å; V546-I550 HydrophobicContact CG1-CG2 4.36Å; V546-T552 HydrophobicContact CG1-CG2 3.87Å; V546-L577 HydrophobicContact CG2-CB 3.97Å; V546-L577 HydrophobicContact CG2-CD2 4.28Å; V546-F579 HydrophobicContact CG2-CE2 4.4Å; V546-A644 HydrophobicContact CG1-CB 4.16Å; V546-A644 HydrophobicContact CG2-CB 3.92Å; V546-I645 HydrophobicContact CG2-CG1 4.01Å
547	K	93.7	Very high	87.7	Confident	75 Å²	75	38.7 Å²	38.7	33%	0.326	22%	0.217	S	C	.	.			trans	-63.8	128.5	178.9	-60.2	166.8	-173.8	160	0	109.3	Y549 I550 A646	K547-Y549 HydrophobicContact CB-CD1 3.92Å; K547-Y549 HydrophobicContact CB-CE1 3.52Å; K547-Y549 HydrophobicContact CD-CE1 3.82Å; K547-Y549 VanDerWaalsContact CD-OH 3.28Å; K547-Y549 WeakPolarHBondContact CD-OH 3.09Å; K547-Y549 HydrophobicContact CG-CE1 4.19Å; K547-Y549 PolarHBondContact O-N 3.24Å; K547-I550 HydrophobicContact CB-CD1 3.95Å; K547-I550 HydrophobicContact CB-CG1 4.14Å; K547-I550 HydrophobicContact CD-CD1 4.47Å; K547-I550 WeakPolarHBondContact O-CB 3.45Å; K547-I550 WeakPolarHBondContact O-CG1 3.46Å; K547-I550 PolarHBondContact O-N 2.82Å; K547-A646 PolarHBondContact NZ-O 3.19Å; K547-A646 VanDerWaalsContact NZ-O 3.08Å
548	P	90.8	Very high	85.9	Confident	83 Å²	83	37.5 Å²	37.5	54%	0.539	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-16.3	-164.7	25.3	-35.4	0	0	0	114.9	Y505 I550	Y505-P548 HydrophobicContact CE2-CG 4.23Å; Y505-P548 WeakPolarHBondContact OH-CD 3.42Å; Y505-P548 WeakPolarHBondContact OH-CG 3.33Å; P548-I550 VanDerWaalsContact C-N 3.28Å
549	Y	90.5	Very high	84.2	Confident	6 Å²	6	36.9 Å²	36.9	2%	0.024	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.1	173.7	68.4	-104.6	0	0	0	113.6	F498 Y505 L507 K547 V600	F498-Y549 HydrophobicContact CE2-CD1 4.45Å; F498-Y549 HydrophobicContact CE2-CG 4.21Å; F498-Y549 AromaticContact CZ-CD1 3.69Å; F498-Y549 HydrophobicContact CZ-CD1 3.69Å; F498-Y549 HydrophobicContact CZ-CD2 4.01Å; F498-Y549 HydrophobicContact CZ-CE1 4.12Å; F498-Y549 HydrophobicContact CZ-CE2 4.45Å; F498-Y549 AromaticContact CZ-CG 3.64Å; F498-Y549 HydrophobicContact CZ-CG 3.64Å; Y505-Y549 HydrophobicContact CD1-CD1 4.01Å; Y505-Y549 AromaticContact CD1-CE1 3.87Å; Y505-Y549 HydrophobicContact CD1-CE1 3.87Å; Y505-Y549 AromaticContact CD2-CD1 3.86Å; Y505-Y549 HydrophobicContact CD2-CD1 3.86Å; Y505-Y549 HydrophobicContact CD2-CE1 4.45Å; Y505-Y549 HydrophobicContact CE1-CD1 4.49Å; Y505-Y549 HydrophobicContact CE2-CD1 4.32Å; Y505-Y549 AromaticContact CG-CD1 3.68Å; Y505-Y549 HydrophobicContact CG-CD1 3.68Å; Y505-Y549 AromaticContact CG-CE1 3.8Å; Y505-Y549 HydrophobicContact CG-CE1 3.8Å; L507-Y549 HydrophobicContact CD2-CD2 4.33Å; L507-Y549 HydrophobicContact CD2-CE2 3.67Å; K547-Y549 HydrophobicContact CB-CD1 3.92Å; K547-Y549 HydrophobicContact CB-CE1 3.52Å; K547-Y549 HydrophobicContact CD-CE1 3.82Å; K547-Y549 VanDerWaalsContact CD-OH 3.28Å; K547-Y549 WeakPolarHBondContact CD-OH 3.09Å; K547-Y549 HydrophobicContact CG-CE1 4.19Å; K547-Y549 PolarHBondContact O-N 3.24Å; Y549-V600 HydrophobicContact CD2-CG2 4.36Å; Y549-V600 HydrophobicContact CG-CG2 4.47Å
550	I	93.1	Very high	82.7	Confident	6 Å²	6	38.7 Å²	38.7	3%	0.031	24%	0.236	C	C	.	.	S	Bend	trans	-77.7	125.5	-179.9	-58	179.9	0	0	0	108.4	V512 A515 V546 K547 P548 T552 A644	V512-I550 HydrophobicContact CG1-CG2 4.15Å; V512-I550 WeakPolarHBondContact O-CG1 3.45Å; A515-I550 HydrophobicContact CB-CG2 4.24Å; V546-I550 HydrophobicContact CG1-CB 4.02Å; V546-I550 HydrophobicContact CG1-CD1 4.18Å; V546-I550 HydrophobicContact CG1-CG2 4.36Å; K547-I550 HydrophobicContact CB-CD1 3.95Å; K547-I550 HydrophobicContact CB-CG1 4.14Å; K547-I550 HydrophobicContact CD-CD1 4.47Å; K547-I550 WeakPolarHBondContact O-CB 3.45Å; K547-I550 WeakPolarHBondContact O-CG1 3.46Å; K547-I550 PolarHBondContact O-N 2.82Å; P548-I550 VanDerWaalsContact C-N 3.28Å; I550-T552 HydrophobicContact CG2-CG2 4.49Å; I550-T552 PolarHBondContact O-N 3.03Å; I550-A644 WeakPolarHBondContact CD1-O 3.17Å
551	R	88.6	Confident	81.6	Confident	114 Å²	114	37.5 Å²	37.5	43%	0.43	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	88.6	178.2	-166.9	64.2	179.8	171.6	2.7	110.8	V513 I514 A515 L596	V513-R551 PolarHBondContact O-N 3.33Å; I514-R551 HydrophobicContact CG1-CB 4.47Å; A515-R551 PolarHBondContact N-O 3.29Å; R551-L596 HydrophobicContact CB-CD2 3.8Å
552	T	89.9	Confident	80.6	Confident	19 Å²	19	33.2 Å²	33.2	12%	0.117	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	151.5	169.8	36.8	0	0	0	0	111.8	A515 V546 I550 G578 F579 A644	A515-T552 HydrophobicContact CB-CG2 4.1Å; A515-T552 CarbonylContact O-C 3.5Å; A515-T552 VanDerWaalsContact O-CA 3.25Å; A515-T552 WeakPolarHBondContact O-CA 3.38Å; V546-T552 HydrophobicContact CG1-CG2 3.87Å; I550-T552 HydrophobicContact CG2-CG2 4.49Å; I550-T552 PolarHBondContact O-N 3.03Å; T552-G578 WeakPolarHBondContact CB-O 3.35Å; T552-G578 VanDerWaalsContact OG1-C 3.26Å; T552-G578 WeakPolarHBondContact OG1-CA 3.31Å; T552-G578 PolarHBondContact OG1-O 3.33Å; T552-F579 HydrophobicContact CG2-CD1 4.27Å; T552-F579 HydrophobicContact CG2-CD2 3.95Å; T552-F579 HydrophobicContact CG2-CE1 3.87Å; T552-F579 HydrophobicContact CG2-CE2 3.54Å; T552-F579 HydrophobicContact CG2-CG 4.31Å; T552-F579 HydrophobicContact CG2-CZ 3.5Å; T552-A644 HydrophobicContact CG2-CB 4.2Å
553	S	81.1	Confident	79.5	Confident	8 Å²	8	35.6 Å²	35.6	6%	0.056	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.9	143.8	174.6	49.8	0	0	0	0	112.4	A515 A516 V517 F579	A515-S553 PolarHBondContact O-N 2.98Å; A515-S553 VanDerWaalsContact O-N 3.09Å; A516-S553 WeakPolarHBondContact CB-OG 3.42Å; V517-S553 PolarHBondContact N-O 3.19Å; S553-F579 WeakPolarHBondContact O-CD1 3.47Å
554	L	81.4	Confident	78.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	116.5	169.8	174.9	58	0	0	0	109.2	V517 M529 P556 L565 L571 F579 E580 V581 I582	V517-L554 HydrophobicContact CB-CD1 3.95Å; V517-L554 HydrophobicContact CG1-CD1 3.67Å; V517-L554 CarbonylContact O-C 3.58Å; V517-L554 WeakPolarHBondContact O-CA 3.33Å; M529-L554 HydrophobicContact CE-CD1 3.79Å; L554-P556 HydrophobicContact CD1-CG 4.3Å; L554-P556 HydrophobicContact CG-CG 4.11Å; L554-L565 HydrophobicContact CD2-CD1 4.25Å; L554-L571 HydrophobicContact CD2-CD1 4.08Å; L554-F579 HydrophobicContact CB-CB 4.36Å; L554-F579 WeakPolarHBondContact CB-O 3.48Å; L554-E580 WeakPolarHBondContact CB-O 3.35Å; L554-E580 PolarHBondContact N-O 3.09Å; L554-V581 HydrophobicContact CD2-CG2 3.85Å; L554-V581 HydrophobicContact CG-CG2 4.23Å; L554-V581 WeakPolarHBondContact O-CA 3.44Å; L554-I582 WeakPolarHBondContact O-CG1 3.49Å; L554-I582 PolarHBondContact O-N 3.01Å
555	A	69.4	Low	78	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	89.8	174.9	0	0	0	0	0	110.1	V517 I518 N523 I582 G583 A587	V517-A555 PolarHBondContact O-N 3.44Å; I518-A555 WeakPolarHBondContact CA-O 3.3Å; I518-A555 HydrophobicContact CB-CB 4.43Å; I518-A555 HydrophobicContact CG2-CB 3.84Å; N523-A555 PolarHBondContact ND2-O 2.98Å; A555-I582 HydrophobicContact CB-CD1 4.34Å; A555-I582 HydrophobicContact CB-CG1 4.07Å; A555-G583 WeakPolarHBondContact CA-O 3.07Å; A555-A587 HydrophobicContact CB-CB 3.65Å
556	P	63.3	Low	77.6	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.			trans	-67.4	153.7	-175.9	-17.7	31.5	0	0	0	113.1	L554 S558 V561 V581 G583 Y584 G585	L554-P556 HydrophobicContact CD1-CG 4.3Å; L554-P556 HydrophobicContact CG-CG 4.11Å; P556-S558 VanDerWaalsContact C-N 3.32Å; P556-V561 HydrophobicContact CB-CB 3.77Å; P556-V561 HydrophobicContact CB-CG1 3.85Å; P556-V561 HydrophobicContact CB-CG2 4.41Å; P556-V561 HydrophobicContact CG-CG1 4.44Å; P556-V581 HydrophobicContact CG-CG1 4.27Å; P556-G583 WeakPolarHBondContact CD-O 2.96Å; P556-Y584 HydrophobicContact CB-CD1 3.96Å; P556-Y584 HydrophobicContact CB-CE1 3.96Å; P556-Y584 HydrophobicContact CG-CD1 4.3Å; P556-Y584 HydrophobicContact CG-CE1 4Å; P556-Y584 WeakPolarHBondContact O-CA 3.49Å; P556-G585 PolarHBondContact O-N 2.82Å; P556-G585 VanDerWaalsContact O-N 3.1Å
557	G	53.8	Low	76.8	Confident	29 Å²	29	34.3 Å²	34.3	30%	0.299	20%	0.2	S	C	.	.	S	Bend	trans	-70.9	-28.4	176.1	0	0	0	0	0	113.3
558	S	57.2	Low	76.3	Confident	47 Å²	47	31.8 Å²	31.8	33%	0.329	19%	0.191	S	C	.	.	S	Bend	trans	-153.6	163.9	179.6	70	0	0	0	0	111.1	P556 M560 V561 Y584	P556-S558 VanDerWaalsContact C-N 3.32Å; S558-M560 PolarHBondContact O-N 2.82Å; S558-V561 PolarHBondContact O-N 2.9Å; S558-Y584 VanDerWaalsContact C-CD1 3.47Å; S558-Y584 WeakPolarHBondContact O-CE1 3.42Å
559	G	60.5	Low	76.2	Confident	41 Å²	41	29.5 Å²	29.5	42%	0.423	18%	0.183	S	C	.	.	H	α-helix	trans	-61.2	-26.2	175.5	0	0	0	0	0	114.3	V561 T562 H563	G559-V561 PolarHBondContact O-N 3.41Å; G559-T562 PolarHBondContact O-N 2.98Å; G559-H563 PolarHBondContact O-N 3.29Å
560	M	64.3	Low	76.3	Confident	38 Å²	38	29.2 Å²	29.2	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-60.3	-32	177.7	-68.1	-57.2	-61.6	0	0	112.5	S558 H563 Y564 I691	S558-M560 PolarHBondContact O-N 2.82Å; M560-H563 WeakPolarHBondContact O-CB 3.5Å; M560-H563 PolarHBondContact O-N 3.18Å; M560-Y564 WeakPolarHBondContact O-CD1 3.45Å; M560-Y564 PolarHBondContact O-N 3Å; M560-I691 HydrophobicContact CE-CB 4.29Å; M560-I691 HydrophobicContact CE-CD1 4.07Å; M560-I691 HydrophobicContact CE-CG1 3.74Å; M560-I691 HydrophobicContact CE-CG2 3.78Å
561	V	70.6	Confident	76	Confident	4 Å²	4	29.7 Å²	29.7	2%	0.024	19%	0.185	C	C	.	.	H	α-helix	trans	-65.6	-49.5	177	177.2	0	0	0	0	111.2	N523 M529 P556 S558 G559 H563 Y564 L565	N523-V561 HydrophobicContact CB-CG2 4.4Å; N523-V561 WeakPolarHBondContact O-CG2 3.36Å; M529-V561 HydrophobicContact CE-CG1 4.09Å; M529-V561 HydrophobicContact CG-CG1 4.39Å; P556-V561 HydrophobicContact CB-CB 3.77Å; P556-V561 HydrophobicContact CB-CG1 3.85Å; P556-V561 HydrophobicContact CB-CG2 4.41Å; P556-V561 HydrophobicContact CG-CG1 4.44Å; S558-V561 PolarHBondContact O-N 2.9Å; G559-V561 PolarHBondContact O-N 3.41Å; V561-H563 VanDerWaalsContact C-N 3.25Å; V561-H563 PolarHBondContact O-N 2.92Å; V561-Y564 VanDerWaalsContact CA-CE1 3.49Å; V561-Y564 HydrophobicContact CB-CE1 4.15Å; V561-Y564 HydrophobicContact CG1-CE1 4.43Å; V561-Y564 HydrophobicContact CG1-CE2 4.36Å; V561-Y564 HydrophobicContact CG2-CE1 4.01Å; V561-Y564 PolarHBondContact O-N 3.2Å; V561-L565 HydrophobicContact CG1-CD1 3.94Å; V561-L565 HydrophobicContact CG1-CG 4.44Å; V561-L565 WeakPolarHBondContact O-CB 3.36Å; V561-L565 VanDerWaalsContact O-CG 3.26Å; V561-L565 WeakPolarHBondContact O-CG 3.26Å; V561-L565 PolarHBondContact O-N 2.91Å
562	T	73	Confident	76.3	Confident	24 Å²	24	27.2 Å²	27.2	15%	0.147	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-40	174.2	-51.2	0	0	0	0	110.9	G559 N566 L571 V581 Y584	G559-T562 PolarHBondContact O-N 2.98Å; T562-N566 VanDerWaalsContact O-CB 3.25Å; T562-N566 WeakPolarHBondContact O-CB 3.29Å; T562-N566 PolarHBondContact O-N 2.96Å; T562-L571 HydrophobicContact CG2-CD2 3.9Å; T562-V581 HydrophobicContact CG2-CG2 4.22Å; T562-Y584 WeakPolarHBondContact CB-OH 3.41Å; T562-Y584 VanDerWaalsContact OG1-CE1 3.3Å; T562-Y584 WeakPolarHBondContact OG1-CE1 3.39Å; T562-Y584 PolarHBondContact OG1-OH 2.94Å
563	H	71.9	Confident	76.5	Confident	75 Å²	75	29 Å²	29	35%	0.347	19%	0.188	S	C	.	.	H	α-helix	trans	-59.8	-51	178	-174.5	84.8	0	0	0	112	G559 M560 V561 N566 A567	G559-H563 PolarHBondContact O-N 3.29Å; M560-H563 WeakPolarHBondContact O-CB 3.5Å; M560-H563 PolarHBondContact O-N 3.18Å; V561-H563 VanDerWaalsContact C-N 3.25Å; V561-H563 PolarHBondContact O-N 2.92Å; H563-N566 PolarHBondContact O-N 2.89Å; H563-A567 WeakPolarHBondContact O-CB 3.39Å; H563-A567 PolarHBondContact O-N 3.18Å
564	Y	74.6	Confident	76.8	Confident	9 Å²	9	28.6 Å²	28.6	4%	0.035	19%	0.185	C	C	.	.	H	α-helix	trans	-72.3	-34.2	-178.2	70	-120.8	0	0	0	113.7	P526 M529 L530 M560 V561 N566 A567 S568 V687 I691	P526-Y564 HydrophobicContact CB-CD1 4.34Å; P526-Y564 HydrophobicContact CB-CE1 3.87Å; P526-Y564 HydrophobicContact CB-CE2 4.2Å; P526-Y564 HydrophobicContact CG-CE1 4.13Å; M529-Y564 HydrophobicContact CB-CE2 3.82Å; M529-Y564 WeakPolarHBondContact CB-OH 3.46Å; M529-Y564 VanDerWaalsContact CG-OH 3.31Å; M529-Y564 WeakPolarHBondContact CG-OH 3.22Å; L530-Y564 HydrophobicContact CD2-CD2 4.21Å; L530-Y564 HydrophobicContact CG-CD2 4.31Å; L530-Y564 HydrophobicContact CG-CE2 4.34Å; M560-Y564 WeakPolarHBondContact O-CD1 3.45Å; M560-Y564 PolarHBondContact O-N 3Å; V561-Y564 VanDerWaalsContact CA-CE1 3.49Å; V561-Y564 HydrophobicContact CB-CE1 4.15Å; V561-Y564 HydrophobicContact CG1-CE1 4.43Å; V561-Y564 HydrophobicContact CG1-CE2 4.36Å; V561-Y564 HydrophobicContact CG2-CE1 4.01Å; V561-Y564 PolarHBondContact O-N 3.2Å; Y564-N566 VanDerWaalsContact C-N 3.26Å; Y564-N566 PolarHBondContact O-N 2.86Å; Y564-A567 PolarHBondContact O-N 3.1Å; Y564-S568 WeakPolarHBondContact O-CB 3.36Å; Y564-S568 PolarHBondContact O-N 3.35Å; Y564-S568 PolarHBondContact O-OG 3.2Å; Y564-S568 VanDerWaalsContact O-OG 3.05Å; Y564-V687 VanDerWaalsContact CB-CG1 3.4Å; Y564-V687 HydrophobicContact CD1-CG1 4.24Å; Y564-V687 HydrophobicContact CD2-CG1 4.48Å; Y564-V687 HydrophobicContact CG-CG1 3.86Å; Y564-V687 HydrophobicContact CG-CG2 4.45Å; Y564-I691 HydrophobicContact CD1-CD1 4.26Å
565	L	82.4	Confident	77	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.7	-31.9	174.1	-67.4	177	0	0	0	111.9	M529 L530 L554 V561 V570 L571 F574	M529-L565 HydrophobicContact CB-CD2 4.28Å; M529-L565 HydrophobicContact CE-CD1 3.85Å; L530-L565 HydrophobicContact CD2-CD2 4.41Å; L554-L565 HydrophobicContact CD2-CD1 4.25Å; V561-L565 HydrophobicContact CG1-CD1 3.94Å; V561-L565 HydrophobicContact CG1-CG 4.44Å; V561-L565 WeakPolarHBondContact O-CB 3.36Å; V561-L565 VanDerWaalsContact O-CG 3.26Å; V561-L565 WeakPolarHBondContact O-CG 3.26Å; V561-L565 PolarHBondContact O-N 2.91Å; L565-V570 HydrophobicContact CB-CG2 4.12Å; L565-V570 HydrophobicContact CD2-CG2 3.61Å; L565-V570 HydrophobicContact CG-CG2 4.48Å; L565-V570 WeakPolarHBondContact O-CG2 3.45Å; L565-V570 PolarHBondContact O-N 3.25Å; L565-V570 VanDerWaalsContact O-N 3.08Å; L565-L571 HydrophobicContact CB-CB 4.14Å; L565-L571 HydrophobicContact CB-CD1 4.46Å; L565-L571 WeakPolarHBondContact O-CB 3.43Å; L565-L571 PolarHBondContact O-N 2.91Å; L565-F574 HydrophobicContact CD1-CD2 4.43Å; L565-F574 HydrophobicContact CD1-CE2 4.03Å; L565-F574 HydrophobicContact CD2-CE2 3.99Å
566	N	83.4	Confident	78.1	Confident	101 Å²	101	38 Å²	38	54%	0.54	23%	0.232	S	C	.	.	H	α-helix	trans	-74.5	-43.5	172.7	-171.1	68.1	0	0	0	111.5	T562 H563 Y564 S568 G569 L571	T562-N566 VanDerWaalsContact O-CB 3.25Å; T562-N566 WeakPolarHBondContact O-CB 3.29Å; T562-N566 PolarHBondContact O-N 2.96Å; H563-N566 PolarHBondContact O-N 2.89Å; Y564-N566 VanDerWaalsContact C-N 3.26Å; Y564-N566 PolarHBondContact O-N 2.86Å; N566-S568 PolarHBondContact O-N 2.91Å; N566-G569 PolarHBondContact O-N 3.25Å; N566-L571 HydrophobicContact CB-CB 4.44Å; N566-L571 HydrophobicContact CB-CD2 3.95Å
567	A	78.6	Confident	79.5	Confident	41 Å²	41	38.2 Å²	38.2	34%	0.339	23%	0.233	S	C	.	.	H	α-helix	trans	-65.2	-36.1	-179.9	0	0	0	0	0	113.3	H563 Y564 G569 T686	H563-A567 WeakPolarHBondContact O-CB 3.39Å; H563-A567 PolarHBondContact O-N 3.18Å; Y564-A567 PolarHBondContact O-N 3.1Å; A567-G569 PolarHBondContact O-N 3.49Å; A567-T686 WeakPolarHBondContact O-CG2 3.18Å
568	S	84.3	Confident	81.1	Confident	22 Å²	22	38.1 Å²	38.1	15%	0.154	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-0.1	172.3	65.6	0	0	0	0	114.1	L530 Y564 N566 V570	L530-S568 VanDerWaalsContact CD2-OG 3.3Å; L530-S568 WeakPolarHBondContact CD2-OG 3.34Å; Y564-S568 WeakPolarHBondContact O-CB 3.36Å; Y564-S568 PolarHBondContact O-N 3.35Å; Y564-S568 PolarHBondContact O-OG 3.2Å; Y564-S568 VanDerWaalsContact O-OG 3.05Å; N566-S568 PolarHBondContact O-N 2.91Å; S568-V570 VanDerWaalsContact C-N 3.25Å; S568-V570 PolarHBondContact O-N 2.74Å; S568-V570 WeakPolarHBondContact OG-CG2 3.43Å
569	G	88.6	Confident	82.5	Confident	35 Å²	35	35.9 Å²	35.9	36%	0.361	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	10.2	177.9	0	0	0	0	0	115.1	N566 A567 P572 Y573	N566-G569 PolarHBondContact O-N 3.25Å; A567-G569 PolarHBondContact O-N 3.49Å; G569-P572 WeakPolarHBondContact O-CD 3.04Å; G569-Y573 WeakPolarHBondContact O-CD2 3.01Å; G569-Y573 VanDerWaalsContact O-CE2 3.29Å; G569-Y573 WeakPolarHBondContact O-CE2 3.36Å
570	V	91.5	Very high	83.5	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	22%	0.224	C	C	.	.			trans	-90.1	-22.4	-176.7	-56.4	0	0	0	0	114	L534 L565 S568 P572 Y573 F574	L534-V570 HydrophobicContact CD2-CG1 3.95Å; L534-V570 HydrophobicContact CG-CG1 4.2Å; L565-V570 HydrophobicContact CB-CG2 4.12Å; L565-V570 HydrophobicContact CD2-CG2 3.61Å; L565-V570 HydrophobicContact CG-CG2 4.48Å; L565-V570 WeakPolarHBondContact O-CG2 3.45Å; L565-V570 PolarHBondContact O-N 3.25Å; L565-V570 VanDerWaalsContact O-N 3.08Å; S568-V570 VanDerWaalsContact C-N 3.25Å; S568-V570 PolarHBondContact O-N 2.74Å; S568-V570 WeakPolarHBondContact OG-CG2 3.43Å; V570-P572 VanDerWaalsContact C-CD 3.47Å; V570-Y573 WeakPolarHBondContact O-CB 3.46Å; V570-Y573 PolarHBondContact O-N 2.65Å; V570-F574 PolarHBondContact O-N 3.09Å
571	L	88.5	Confident	84	Confident	16 Å²	16	39.8 Å²	39.8	8%	0.084	23%	0.226	C	C	.	.	H	α-helix	trans	-56.2	-39.1	-179.7	-173.9	62.7	0	0	0	114.5	L554 T562 L565 N566 Y573 F574 N575 V581	L554-L571 HydrophobicContact CD2-CD1 4.08Å; T562-L571 HydrophobicContact CG2-CD2 3.9Å; L565-L571 HydrophobicContact CB-CB 4.14Å; L565-L571 HydrophobicContact CB-CD1 4.46Å; L565-L571 WeakPolarHBondContact O-CB 3.43Å; L565-L571 PolarHBondContact O-N 2.91Å; N566-L571 HydrophobicContact CB-CB 4.44Å; N566-L571 HydrophobicContact CB-CD2 3.95Å; L571-Y573 PolarHBondContact O-N 3.32Å; L571-F574 WeakPolarHBondContact O-CB 3.32Å; L571-F574 PolarHBondContact O-N 3.15Å; L571-N575 PolarHBondContact O-N 2.82Å; L571-N575 VanDerWaalsContact O-N 3.12Å; L571-V581 HydrophobicContact CD1-CG2 4.11Å
572	P	92.9	Very high	83.7	Confident	61 Å²	61	43.2 Å²	43.2	40%	0.396	24%	0.243	S	C	.	.	H	α-helix	trans	-59	-33	174.3	-25.6	36.2	0	0	0	113.7	G569 V570 N575 Q576	G569-P572 WeakPolarHBondContact O-CD 3.04Å; V570-P572 VanDerWaalsContact C-CD 3.47Å; P572-N575 PolarHBondContact O-N 3.09Å; P572-Q576 WeakPolarHBondContact O-CG 3.23Å; P572-Q576 PolarHBondContact O-N 2.93Å
573	Y	94.7	Very high	83.1	Confident	56 Å²	56	42.7 Å²	42.7	22%	0.22	24%	0.242	C	C	.	.	H	α-helix	trans	-77.1	-34.6	-179.9	-59	-91.1	0	0	0	111.9	K537 V540 E541 G569 V570 L571 N575 Q576 L577	K537-Y573 HydrophobicContact CB-CD1 4.03Å; K537-Y573 HydrophobicContact CB-CD2 3.96Å; K537-Y573 HydrophobicContact CB-CE1 4.34Å; K537-Y573 HydrophobicContact CB-CE2 4.29Å; K537-Y573 HydrophobicContact CB-CG 3.8Å; K537-Y573 HydrophobicContact CD-CD2 4.46Å; K537-Y573 HydrophobicContact CD-CE2 4Å; K537-Y573 HydrophobicContact CG-CD1 4.03Å; K537-Y573 HydrophobicContact CG-CD2 4.12Å; K537-Y573 HydrophobicContact CG-CE1 3.82Å; K537-Y573 HydrophobicContact CG-CE2 3.93Å; K537-Y573 HydrophobicContact CG-CG 4.15Å; V540-Y573 HydrophobicContact CB-CD1 3.89Å; V540-Y573 HydrophobicContact CG1-CD1 3.8Å; V540-Y573 HydrophobicContact CG1-CE1 4.27Å; V540-Y573 HydrophobicContact CG2-CD1 4.38Å; E541-Y573 HydrophobicContact CG-CE1 4.33Å; G569-Y573 WeakPolarHBondContact O-CD2 3.01Å; G569-Y573 VanDerWaalsContact O-CE2 3.29Å; G569-Y573 WeakPolarHBondContact O-CE2 3.36Å; V570-Y573 WeakPolarHBondContact O-CB 3.46Å; V570-Y573 PolarHBondContact O-N 2.65Å; L571-Y573 PolarHBondContact O-N 3.32Å; Y573-N575 VanDerWaalsContact C-N 3.33Å; Y573-Q576 PolarHBondContact O-N 3.3Å; Y573-L577 PolarHBondContact O-N 2.82Å; Y573-L577 VanDerWaalsContact O-N 3.15Å
574	F	88.3	Confident	82.5	Confident	0 Å²	0	44 Å²	44	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-56.6	-47.5	165.9	-88.6	-66.2	0	0	0	111.4	A532 A536 L565 V570 L571 Q576 L577 G578 F579 V641	A532-F574 HydrophobicContact CB-CE1 4.18Å; A532-F574 HydrophobicContact CB-CZ 3.64Å; A536-F574 HydrophobicContact CB-CD1 4.41Å; L565-F574 HydrophobicContact CD1-CD2 4.43Å; L565-F574 HydrophobicContact CD1-CE2 4.03Å; L565-F574 HydrophobicContact CD2-CE2 3.99Å; V570-F574 PolarHBondContact O-N 3.09Å; L571-F574 WeakPolarHBondContact O-CB 3.32Å; L571-F574 PolarHBondContact O-N 3.15Å; F574-Q576 VanDerWaalsContact C-N 3.33Å; F574-Q576 PolarHBondContact O-N 3.21Å; F574-L577 CarbonylContact O-C 3.5Å; F574-L577 PolarHBondContact O-N 3.43Å; F574-L577 VanDerWaalsContact O-N 3.11Å; F574-G578 PolarHBondContact O-N 3.07Å; F574-F579 HydrophobicContact CB-CB 4.06Å; F574-F579 HydrophobicContact CD1-CB 3.66Å; F574-F579 HydrophobicContact CD1-CD2 4.37Å; F574-F579 HydrophobicContact CD1-CG 4.09Å; F574-F579 HydrophobicContact CG-CB 4.32Å; F574-F579 WeakPolarHBondContact O-CB 3.43Å; F574-F579 PolarHBondContact O-N 3.48Å; F574-V641 HydrophobicContact CD1-CG2 4.48Å; F574-V641 HydrophobicContact CE1-CG2 3.84Å
575	N	85.9	Confident	81.2	Confident	70 Å²	70	44.9 Å²	44.9	37%	0.374	26%	0.257	S	S	.	.	H	α-helix	trans	-61.9	-38.8	178.8	-65.7	-15.1	0	0	0	112.1	L571 P572 Y573 L577 G578	L571-N575 PolarHBondContact O-N 2.82Å; L571-N575 VanDerWaalsContact O-N 3.12Å; P572-N575 PolarHBondContact O-N 3.09Å; Y573-N575 VanDerWaalsContact C-N 3.33Å; N575-L577 VanDerWaalsContact C-N 3.28Å; N575-L577 PolarHBondContact O-N 2.99Å; N575-G578 WeakPolarHBondContact O-CA 3.45Å; N575-G578 PolarHBondContact O-N 2.94Å
576	Q	91.8	Very high	79.3	Confident	129 Å²	129	48.3 Å²	48.3	60%	0.603	28%	0.28	S	S	*	.	H	α-helix	trans	-64.5	-29.7	174.8	-73	-177	43.9	0	0	113.3	V540 P572 Y573 F574 G578	V540-Q576 HydrophobicContact CG2-CB 4.13Å; P572-Q576 WeakPolarHBondContact O-CG 3.23Å; P572-Q576 PolarHBondContact O-N 2.93Å; Y573-Q576 PolarHBondContact O-N 3.3Å; F574-Q576 VanDerWaalsContact C-N 3.33Å; F574-Q576 PolarHBondContact O-N 3.21Å; Q576-G578 VanDerWaalsContact C-N 3.26Å
577	L	92.7	Very high	78.2	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.016	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	9.5	169.6	-60.4	-175.6	0	0	0	113.3	A536 A539 V540 V546 Y573 F574 N575 F579 V641 I645	A536-L577 HydrophobicContact CB-CD1 3.71Å; A539-L577 HydrophobicContact CB-CD1 4.38Å; V540-L577 HydrophobicContact CG2-CD1 4.45Å; V540-L577 HydrophobicContact CG2-CD2 3.73Å; V540-L577 HydrophobicContact CG2-CG 3.84Å; V546-L577 HydrophobicContact CG2-CB 3.97Å; V546-L577 HydrophobicContact CG2-CD2 4.28Å; Y573-L577 PolarHBondContact O-N 2.82Å; Y573-L577 VanDerWaalsContact O-N 3.15Å; F574-L577 CarbonylContact O-C 3.5Å; F574-L577 PolarHBondContact O-N 3.43Å; F574-L577 VanDerWaalsContact O-N 3.11Å; N575-L577 VanDerWaalsContact C-N 3.28Å; N575-L577 PolarHBondContact O-N 2.99Å; L577-F579 VanDerWaalsContact C-N 3.32Å; L577-F579 HydrophobicContact CB-CD2 3.94Å; L577-F579 HydrophobicContact CB-CE2 4.38Å; L577-F579 PolarHBondContact O-N 3.4Å; L577-V641 HydrophobicContact CD1-CG1 3.88Å; L577-I645 HydrophobicContact CD1-CD1 4.14Å; L577-I645 HydrophobicContact CD1-CG1 4.44Å
578	G	86.4	Confident	77	Confident	28 Å²	28	42.9 Å²	42.9	29%	0.289	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	4.5	178.5	0	0	0	0	0	115.7	T552 F574 N575 Q576 E580	T552-G578 WeakPolarHBondContact CB-O 3.35Å; T552-G578 VanDerWaalsContact OG1-C 3.26Å; T552-G578 WeakPolarHBondContact OG1-CA 3.31Å; T552-G578 PolarHBondContact OG1-O 3.33Å; F574-G578 PolarHBondContact O-N 3.07Å; N575-G578 WeakPolarHBondContact O-CA 3.45Å; N575-G578 PolarHBondContact O-N 2.94Å; Q576-G578 VanDerWaalsContact C-N 3.26Å; G578-E580 PolarHBondContact O-N 3.41Å
579	F	88.5	Confident	75.6	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.244	C	C	.	.			trans	-80.5	59.9	177.5	-72.8	-85.9	0	0	0	111.8	A515 V517 V546 T552 S553 L554 F574 L577 V640 V641 A644	A515-F579 HydrophobicContact CB-CE1 4.29Å; A515-F579 HydrophobicContact CB-CZ 4.09Å; A515-F579 WeakPolarHBondContact O-CE1 3.41Å; V517-F579 HydrophobicContact CB-CD1 4.43Å; V517-F579 HydrophobicContact CG2-CD1 3.89Å; V517-F579 HydrophobicContact CG2-CE1 3.74Å; V546-F579 HydrophobicContact CG2-CE2 4.4Å; T552-F579 HydrophobicContact CG2-CD1 4.27Å; T552-F579 HydrophobicContact CG2-CD2 3.95Å; T552-F579 HydrophobicContact CG2-CE1 3.87Å; T552-F579 HydrophobicContact CG2-CE2 3.54Å; T552-F579 HydrophobicContact CG2-CG 4.31Å; T552-F579 HydrophobicContact CG2-CZ 3.5Å; S553-F579 WeakPolarHBondContact O-CD1 3.47Å; L554-F579 HydrophobicContact CB-CB 4.36Å; L554-F579 WeakPolarHBondContact CB-O 3.48Å; F574-F579 HydrophobicContact CB-CB 4.06Å; F574-F579 HydrophobicContact CD1-CB 3.66Å; F574-F579 HydrophobicContact CD1-CD2 4.37Å; F574-F579 HydrophobicContact CD1-CG 4.09Å; F574-F579 HydrophobicContact CG-CB 4.32Å; F574-F579 WeakPolarHBondContact O-CB 3.43Å; F574-F579 PolarHBondContact O-N 3.48Å; L577-F579 VanDerWaalsContact C-N 3.32Å; L577-F579 HydrophobicContact CB-CD2 3.94Å; L577-F579 HydrophobicContact CB-CE2 4.38Å; L577-F579 PolarHBondContact O-N 3.4Å; F579-V640 HydrophobicContact CE1-CG1 4.14Å; F579-V640 HydrophobicContact CZ-CG1 4.42Å; F579-V641 HydrophobicContact CD2-CG2 4.33Å; F579-V641 HydrophobicContact CE1-CG2 4.37Å; F579-V641 HydrophobicContact CE2-CB 4.26Å; F579-V641 HydrophobicContact CE2-CG1 4.16Å; F579-V641 HydrophobicContact CE2-CG2 3.88Å; F579-V641 HydrophobicContact CZ-CB 4.36Å; F579-V641 HydrophobicContact CZ-CG2 3.89Å; F579-A644 HydrophobicContact CE2-CB 4Å; F579-A644 HydrophobicContact CZ-CB 3.73Å
580	E	80.6	Confident	73.6	Confident	123 Å²	123	44.7 Å²	44.7	58%	0.575	25%	0.252	S	S	*	.			trans	-67.2	147.4	176.3	-62.7	-174.2	160.6	0	0	112.1	L554 G578 I582	L554-E580 WeakPolarHBondContact CB-O 3.35Å; L554-E580 PolarHBondContact N-O 3.09Å; G578-E580 PolarHBondContact O-N 3.41Å; E580-I582 PolarHBondContact O-N 3Å; E580-I582 VanDerWaalsContact O-N 3.14Å
581	V	74.6	Confident	71.7	Confident	38 Å²	38	45.8 Å²	45.8	23%	0.23	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-70.9	104.8	173.7	179.7	0	0	0	0	109.4	L554 P556 T562 L571	L554-V581 HydrophobicContact CD2-CG2 3.85Å; L554-V581 HydrophobicContact CG-CG2 4.23Å; L554-V581 WeakPolarHBondContact O-CA 3.44Å; P556-V581 HydrophobicContact CG-CG1 4.27Å; T562-V581 HydrophobicContact CG2-CG2 4.22Å; L571-V581 HydrophobicContact CD1-CG2 4.11Å
582	I	65	Low	70.2	Confident	76 Å²	76	48.7 Å²	48.7	39%	0.39	28%	0.279	S	S	.	.			trans	-90.7	-7.7	-178.6	60	160.2	0	0	0	113.9	L554 A555 E580 A587	L554-I582 WeakPolarHBondContact O-CG1 3.49Å; L554-I582 PolarHBondContact O-N 3.01Å; A555-I582 HydrophobicContact CB-CD1 4.34Å; A555-I582 HydrophobicContact CB-CG1 4.07Å; E580-I582 PolarHBondContact O-N 3Å; E580-I582 VanDerWaalsContact O-N 3.14Å; I582-A587 HydrophobicContact CD1-CB 4.39Å
583	G	59	Low	68.6	Low	12 Å²	12	47 Å²	47	12%	0.124	27%	0.268	C	S	.	.			trans	138.3	173.4	176.4	0	0	0	0	0	113.5	A555 P556	A555-G583 WeakPolarHBondContact CA-O 3.07Å; P556-G583 WeakPolarHBondContact CD-O 2.96Å
584	Y	59.6	Low	67.1	Low	103 Å²	103	46.3 Å²	46.3	40%	0.404	27%	0.274	S	S	.	.	S	Bend	trans	-99.4	132.7	-175.3	-57.3	-76.6	0	0	0	112.2	E218 P556 S558 T562	E218-Y584 HydrophobicContact CG-CE2 4.47Å; E218-Y584 WeakPolarHBondContact OE2-CE2 3.02Å; P556-Y584 HydrophobicContact CB-CD1 3.96Å; P556-Y584 HydrophobicContact CB-CE1 3.96Å; P556-Y584 HydrophobicContact CG-CD1 4.3Å; P556-Y584 HydrophobicContact CG-CE1 4Å; P556-Y584 WeakPolarHBondContact O-CA 3.49Å; S558-Y584 VanDerWaalsContact C-CD1 3.47Å; S558-Y584 WeakPolarHBondContact O-CE1 3.42Å; T562-Y584 WeakPolarHBondContact CB-OH 3.41Å; T562-Y584 VanDerWaalsContact OG1-CE1 3.3Å; T562-Y584 WeakPolarHBondContact OG1-CE1 3.39Å; T562-Y584 PolarHBondContact OG1-OH 2.94Å
585	G	48.7	Very low	66.1	Low	28 Å²	28	52 Å²	52	29%	0.289	31%	0.31	S	S	.	.	S	Bend	trans	117.3	-155.6	176.3	0	0	0	0	0	114.4	P556 A587	P556-G585 PolarHBondContact O-N 2.82Å; P556-G585 VanDerWaalsContact O-N 3.1Å; G585-A587 PolarHBondContact O-N 3.24Å
586	C	42.3	Very low	65.7	Low	72 Å²	72	49.5 Å²	49.5	49%	0.486	30%	0.297	S	S	.	.	S	Bend	trans	-70.9	-32.9	-163.1	-63.7	0	0	0	0	115.6	T588 C589 V590	C586-T588 PolarHBondContact O-N 3.27Å; C586-C589 WeakPolarHBondContact O-CA 3.29Å; C586-C589 WeakPolarHBondContact O-CB 3.22Å; C586-C589 PolarHBondContact O-N 3.04Å; C586-V590 HydrophobicContact CB-CB 4.45Å; C586-V590 HydrophobicContact CB-CG1 3.79Å; C586-V590 HydrophobicContact CB-CG2 3.88Å
587	A	58.8	Low	65.3	Low	25 Å²	25	45.2 Å²	45.2	21%	0.207	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	38.6	-123.7	176.5	0	0	0	0	0	114.3	A555 I582 G585 C589 V590 N592	A555-A587 HydrophobicContact CB-CB 3.65Å; I582-A587 HydrophobicContact CD1-CB 4.39Å; G585-A587 PolarHBondContact O-N 3.24Å; A587-C589 PolarHBondContact O-N 2.89Å; A587-V590 WeakPolarHBondContact O-CG2 3.46Å; A587-V590 PolarHBondContact O-N 3.36Å; A587-V590 VanDerWaalsContact O-N 3.1Å; A587-N592 CarbonylContact C-O 3.57Å; A587-N592 PolarHBondContact O-N 3.33Å
588	T	55.2	Low	65	Low	2 Å²	2	52.7 Å²	52.7	1%	0.012	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-52.4	-25.8	177.5	-47.2	0	0	0	0	113.7	A516 I518 C586 V590 G591 N592 T593 L625	A516-T588 HydrophobicContact CB-CG2 3.7Å; I518-T588 HydrophobicContact CD1-CG2 4.3Å; C586-T588 PolarHBondContact O-N 3.27Å; T588-V590 VanDerWaalsContact C-N 3.27Å; T588-V590 PolarHBondContact O-N 2.81Å; T588-G591 PolarHBondContact O-N 3.38Å; T588-N592 PolarHBondContact N-O 2.92Å; T588-T593 HydrophobicContact CG2-CG2 4.18Å; T588-L625 HydrophobicContact CG2-CD2 3.69Å
589	C	54.1	Low	65.2	Low	8 Å²	8	53.1 Å²	53.1	5%	0.054	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-66.8	-29.2	-179.1	-165.3	0	0	0	0	112	I518 C586 A587 R624	I518-C589 HydrophobicContact CD1-CB 3.71Å; I518-C589 HydrophobicContact CG1-CB 4.41Å; C586-C589 WeakPolarHBondContact O-CA 3.29Å; C586-C589 WeakPolarHBondContact O-CB 3.22Å; C586-C589 PolarHBondContact O-N 3.04Å; A587-C589 PolarHBondContact O-N 2.89Å; C589-R624 VanDerWaalsContact O-CZ 3.29Å; C589-R624 PolarHBondContact O-NE 3.15Å; C589-R624 PolarHBondContact O-NH2 3.28Å
590	V	47.5	Very low	65.4	Low	88 Å²	88	53.1 Å²	53.1	53%	0.533	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-95.5	6.2	172.8	-70	0	0	0	0	113.4	C586 A587 T588 N592	C586-V590 HydrophobicContact CB-CB 4.45Å; C586-V590 HydrophobicContact CB-CG1 3.79Å; C586-V590 HydrophobicContact CB-CG2 3.88Å; A587-V590 WeakPolarHBondContact O-CG2 3.46Å; A587-V590 PolarHBondContact O-N 3.36Å; A587-V590 VanDerWaalsContact O-N 3.1Å; T588-V590 VanDerWaalsContact C-N 3.27Å; T588-V590 PolarHBondContact O-N 2.81Å; V590-N592 HydrophobicContact CG2-CB 4.37Å
591	G	51.5	Low	65.7	Low	24 Å²	24	48.6 Å²	48.6	25%	0.247	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.4	8	-176.9	0	0	0	0	0	114.6	T588 T593 R624	T588-G591 PolarHBondContact O-N 3.38Å; G591-T593 VanDerWaalsContact C-N 3.33Å; G591-T593 PolarHBondContact O-N 2.68Å; G591-R624 WeakPolarHBondContact CA-O 3.14Å
592	N	55.7	Low	66.5	Low	77 Å²	77	51.2 Å²	51.2	41%	0.412	31%	0.309	S	S	.	.			trans	-82	83.5	173.4	-169.5	8	0	0	0	109.4	C138 A587 T588 V590	C138-N592 WeakPolarHBondContact CB-ND2 3.46Å; C138-N592 PolarHBondContact SG-ND2 3.04Å; A587-N592 CarbonylContact C-O 3.57Å; A587-N592 PolarHBondContact O-N 3.33Å; T588-N592 PolarHBondContact N-O 2.92Å; V590-N592 HydrophobicContact CG2-CB 4.37Å
593	T	59.8	Low	67.9	Low	25 Å²	25	47.7 Å²	47.7	15%	0.153	29%	0.292	C	S	.	.			trans	-114.6	138.2	-177.1	-38.2	0	0	0	0	109.8	I514 T588 G591 L625	I514-T593 HydrophobicContact CD1-CG2 4.24Å; I514-T593 HydrophobicContact CG2-CG2 4.34Å; T588-T593 HydrophobicContact CG2-CG2 4.18Å; G591-T593 VanDerWaalsContact C-N 3.33Å; G591-T593 PolarHBondContact O-N 2.68Å; T593-L625 PolarHBondContact OG1-O 2.87Å
594	A	62.7	Low	69.5	Low	42 Å²	42	47.5 Å²	47.5	35%	0.347	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-61.9	144.2	171.4	0	0	0	0	0	110.8
595	P	68.4	Low	71	Confident	119 Å²	119	49.3 Å²	49.3	77%	0.773	30%	0.298	S	S	*	.	P	Polyproline II helix	trans	-60.6	144.1	-179	25.2	-34.4	0	0	0	111.7
596	L	77.4	Confident	73	Confident	17 Å²	17	55.8 Å²	55.8	9%	0.089	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-70.7	152.1	171.4	-72.3	177.4	0	0	0	110.8	V513 I514 R551 E598 V600 V601 V629	V513-L596 HydrophobicContact CB-CD1 4.2Å; V513-L596 HydrophobicContact CB-CD2 4.4Å; V513-L596 HydrophobicContact CG2-CD1 3.85Å; V513-L596 WeakPolarHBondContact O-CD2 3.14Å; I514-L596 HydrophobicContact CD1-CD1 4.42Å; I514-L596 HydrophobicContact CD1-CD2 4.48Å; I514-L596 HydrophobicContact CG1-CD1 4.39Å; I514-L596 HydrophobicContact CG1-CD2 3.84Å; I514-L596 HydrophobicContact CG1-CG 4.37Å; R551-L596 HydrophobicContact CB-CD2 3.8Å; L596-E598 PolarHBondContact O-N 3.27Å; L596-V600 HydrophobicContact CD1-CG1 4.45Å; L596-V601 HydrophobicContact CB-CG2 3.75Å; L596-V629 HydrophobicContact CD1-CG2 4.33Å
597	P	83.9	Confident	75.3	Confident	39 Å²	39	53 Å²	53	25%	0.253	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-57	137.4	173.9	-21.5	32.1	0	0	0	111.3	A599 V600 V601	P597-A599 VanDerWaalsContact C-N 3.27Å; P597-A599 PolarHBondContact O-N 3.27Å; P597-V600 HydrophobicContact CB-CB 4.5Å; P597-V600 HydrophobicContact CB-CG2 4.08Å; P597-V600 HydrophobicContact CG-CG2 4.13Å; P597-V600 WeakPolarHBondContact O-CA 3.18Å; P597-V600 WeakPolarHBondContact O-CB 3.18Å; P597-V600 PolarHBondContact O-N 3.15Å; P597-V601 PolarHBondContact O-N 3.25Å; P597-V601 VanDerWaalsContact O-N 3.13Å
598	E	86.1	Confident	76.8	Confident	161 Å²	161	55.7 Å²	55.7	75%	0.752	31%	0.312	S	S	*	.	H	α-helix	trans	-54.4	-42.7	-176.3	-67.2	-175.3	148.1	0	0	112.4	L596 V600 V601 D602	L596-E598 PolarHBondContact O-N 3.27Å; E598-V600 PolarHBondContact O-N 3.05Å; E598-V601 WeakPolarHBondContact O-CB 3.21Å; E598-V601 PolarHBondContact O-N 2.98Å; E598-D602 WeakPolarHBondContact O-CB 3.35Å; E598-D602 PolarHBondContact O-N 3.35Å
599	A	90.9	Very high	78.6	Confident	36 Å²	36	55.7 Å²	55.7	30%	0.298	31%	0.312	S	S	.	.	H	α-helix	trans	-59	-31.1	176.5	0	0	0	0	0	114	F498 L499 P597 A603	F498-A599 HydrophobicContact CD2-CB 4.08Å; L499-A599 WeakPolarHBondContact O-CB 3.35Å; P597-A599 VanDerWaalsContact C-N 3.27Å; P597-A599 PolarHBondContact O-N 3.27Å; A599-A603 VanDerWaalsContact O-CB 3.27Å; A599-A603 WeakPolarHBondContact O-CB 3.39Å; A599-A603 PolarHBondContact O-N 3.02Å; A599-A603 VanDerWaalsContact O-N 3.11Å
600	V	91.4	Very high	80.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-72.7	-47.1	173.5	174.5	0	0	0	0	109.7	F498 L507 V513 Y549 L596 P597 E598 D602 A603 I604	F498-V600 HydrophobicContact CD2-CG2 4.34Å; F498-V600 HydrophobicContact CE2-CG2 3.56Å; F498-V600 HydrophobicContact CZ-CG2 4.05Å; L507-V600 HydrophobicContact CD1-CG1 4.08Å; V513-V600 HydrophobicContact CB-CG1 4.24Å; V513-V600 HydrophobicContact CG1-CG1 3.85Å; Y549-V600 HydrophobicContact CD2-CG2 4.36Å; Y549-V600 HydrophobicContact CG-CG2 4.47Å; L596-V600 HydrophobicContact CD1-CG1 4.45Å; P597-V600 HydrophobicContact CB-CB 4.5Å; P597-V600 HydrophobicContact CB-CG2 4.08Å; P597-V600 HydrophobicContact CG-CG2 4.13Å; P597-V600 WeakPolarHBondContact O-CA 3.18Å; P597-V600 WeakPolarHBondContact O-CB 3.18Å; P597-V600 PolarHBondContact O-N 3.15Å; E598-V600 PolarHBondContact O-N 3.05Å; V600-D602 VanDerWaalsContact C-N 3.32Å; V600-D602 PolarHBondContact O-N 2.7Å; V600-A603 PolarHBondContact O-N 2.89Å; V600-I604 HydrophobicContact CG1-CD1 3.94Å; V600-I604 VanDerWaalsContact O-CG1 3.24Å; V600-I604 WeakPolarHBondContact O-CG1 3.29Å; V600-I604 PolarHBondContact O-N 2.82Å
601	V	88	Confident	82.7	Confident	28 Å²	28	51.2 Å²	51.2	17%	0.17	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-42.6	178.9	177.1	0	0	0	0	111.3	L596 P597 E598 I604 K605	L596-V601 HydrophobicContact CB-CG2 3.75Å; P597-V601 PolarHBondContact O-N 3.25Å; P597-V601 VanDerWaalsContact O-N 3.13Å; E598-V601 WeakPolarHBondContact O-CB 3.21Å; E598-V601 PolarHBondContact O-N 2.98Å; V601-I604 PolarHBondContact O-N 3.02Å; V601-K605 HydrophobicContact CG1-CD 4.08Å; V601-K605 VanDerWaalsContact CG1-CE 3.45Å; V601-K605 VanDerWaalsContact O-CG 3.31Å; V601-K605 WeakPolarHBondContact O-CG 3.49Å; V601-K605 PolarHBondContact O-N 2.78Å
602	D	91.7	Very high	84.8	Confident	93 Å²	93	50 Å²	50	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-70.6	-37.6	178.9	-72.4	-15.9	0	0	0	112	E598 V600 K605 K606	E598-D602 WeakPolarHBondContact O-CB 3.35Å; E598-D602 PolarHBondContact O-N 3.35Å; V600-D602 VanDerWaalsContact C-N 3.32Å; V600-D602 PolarHBondContact O-N 2.7Å; D602-K605 PolarHBondContact O-N 2.63Å; D602-K606 WeakPolarHBondContact O-CB 3.28Å; D602-K606 PolarHBondContact O-N 3.05Å
603	A	93.8	Very high	86.6	Confident	3 Å²	3	46.4 Å²	46.4	3%	0.025	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-42.7	172.7	0	0	0	0	0	112.1	I496 F498 L507 A599 V600 G607	I496-A603 HydrophobicContact CB-CB 4.45Å; I496-A603 HydrophobicContact CG2-CB 3.84Å; F498-A603 HydrophobicContact CB-CB 3.94Å; F498-A603 HydrophobicContact CD1-CB 4.17Å; F498-A603 HydrophobicContact CG-CB 4.08Å; L507-A603 HydrophobicContact CD1-CB 3.81Å; L507-A603 HydrophobicContact CG-CB 4.44Å; A599-A603 VanDerWaalsContact O-CB 3.27Å; A599-A603 WeakPolarHBondContact O-CB 3.39Å; A599-A603 PolarHBondContact O-N 3.02Å; A599-A603 VanDerWaalsContact O-N 3.11Å; V600-A603 PolarHBondContact O-N 2.89Å; A603-G607 PolarHBondContact O-N 3Å; A603-G607 VanDerWaalsContact O-N 3.17Å
604	I	92.2	Very high	88.1	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.036	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-50.6	174.9	-65.2	164.5	0	0	0	110.6	L507 V513 V600 V601 G607 D608 L609 A611 C628	L507-I604 HydrophobicContact CD1-CG1 3.75Å; V513-I604 HydrophobicContact CG1-CD1 4.34Å; V513-I604 HydrophobicContact CG2-CD1 4.4Å; V600-I604 HydrophobicContact CG1-CD1 3.94Å; V600-I604 VanDerWaalsContact O-CG1 3.24Å; V600-I604 WeakPolarHBondContact O-CG1 3.29Å; V600-I604 PolarHBondContact O-N 2.82Å; V601-I604 PolarHBondContact O-N 3.02Å; I604-G607 PolarHBondContact O-N 2.82Å; I604-D608 PolarHBondContact O-N 2.99Å; I604-D608 VanDerWaalsContact O-N 3.1Å; I604-L609 HydrophobicContact CG2-CB 4.39Å; I604-L609 PolarHBondContact O-N 2.83Å; I604-A611 HydrophobicContact CD1-CB 3.63Å; I604-A611 HydrophobicContact CG1-CB 3.86Å; I604-A611 HydrophobicContact CG2-CB 4.14Å; I604-C628 HydrophobicContact CD1-CB 4.38Å; I604-C628 HydrophobicContact CG2-CB 4.15Å
605	K	90.4	Very high	89.3	Confident	142 Å²	142	43.2 Å²	43.2	62%	0.617	23%	0.23	S	C	*	.	H	α-helix	trans	-62.5	-44.2	179.9	-72.7	169.5	-177.8	168.7	0	112.2	V601 D602 G607 D608	V601-K605 HydrophobicContact CG1-CD 4.08Å; V601-K605 VanDerWaalsContact CG1-CE 3.45Å; V601-K605 VanDerWaalsContact O-CG 3.31Å; V601-K605 WeakPolarHBondContact O-CG 3.49Å; V601-K605 PolarHBondContact O-N 2.78Å; D602-K605 PolarHBondContact O-N 2.63Å; K605-G607 VanDerWaalsContact C-N 3.3Å; K605-G607 PolarHBondContact O-N 3.41Å; K605-D608 PolarHBondContact O-N 2.84Å
606	K	91.6	Very high	90	Very high	163 Å²	163	37.5 Å²	37.5	71%	0.709	19%	0.193	S	C	*	.	H	α-helix	trans	-63.4	-33.9	-178.4	-177.9	179.6	177.4	-174.6	0	112.6	I496 D602	I496-K606 HydrophobicContact CG2-CD 4.19Å; D602-K606 WeakPolarHBondContact O-CB 3.28Å; D602-K606 PolarHBondContact O-N 3.05Å
607	G	90.4	Very high	89.7	Confident	14 Å²	14	37 Å²	37	14%	0.144	19%	0.191	C	C	.	.	H	α-helix	trans	-94.9	-2.7	177.5	0	0	0	0	0	115.9	A603 I604 K605 L609	A603-G607 PolarHBondContact O-N 3Å; A603-G607 VanDerWaalsContact O-N 3.17Å; I604-G607 PolarHBondContact O-N 2.82Å; K605-G607 VanDerWaalsContact C-N 3.3Å; K605-G607 PolarHBondContact O-N 3.41Å; G607-L609 PolarHBondContact O-N 3.09Å
608	D	90	Very high	88.8	Confident	81 Å²	81	38.3 Å²	38.3	43%	0.433	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	39	-166.8	-173.1	19.2	0	0	0	112	H509 I604 K605 R630	H509-D608 PolarHBondContact CE1-O 3.39Å; I604-D608 PolarHBondContact O-N 2.99Å; I604-D608 VanDerWaalsContact O-N 3.1Å; K605-D608 PolarHBondContact O-N 2.84Å; D608-R630 PolarHBondContact O-NH1 3.28Å; D608-R630 VanDerWaalsContact O-NH1 3.12Å; D608-R630 IonicContact OD1-CZ 2.94Å; D608-R630 IonicContact OD1-NH1 2.74Å; D608-R630 PolarHBondContact OD1-NH1 3.27Å
609	L	93.7	Very high	87.4	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	19%	0.186	C	C	.	.			trans	-73.5	143.5	-169.3	-61.1	-178.7	0	0	0	111.8	V494 I496 L507 I604 G607 A611	V494-L609 HydrophobicContact CG1-CD2 4.17Å; I496-L609 HydrophobicContact CB-CD1 4.42Å; I496-L609 HydrophobicContact CG1-CD1 4.07Å; I496-L609 HydrophobicContact CG1-CG 4.4Å; L507-L609 HydrophobicContact CB-CD1 3.48Å; L507-L609 VanDerWaalsContact CB-CD1 3.48Å; I604-L609 HydrophobicContact CG2-CB 4.39Å; I604-L609 PolarHBondContact O-N 2.83Å; G607-L609 PolarHBondContact O-N 3.09Å; L609-A611 VanDerWaalsContact C-N 3.32Å; L609-A611 PolarHBondContact O-N 3.27Å; L609-A611 VanDerWaalsContact O-N 3.15Å
610	V	94.1	Very high	85.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.172	C	C	.	.			trans	-85.3	81.9	166.6	-178.9	0	0	0	0	107.6	F472 L476 F485 I487 H509 G510 R630 A631	F472-V610 HydrophobicContact CE2-CG1 3.92Å; F472-V610 HydrophobicContact CZ-CB 4.33Å; F472-V610 HydrophobicContact CZ-CG1 4.01Å; L476-V610 HydrophobicContact CD2-CB 4.05Å; L476-V610 HydrophobicContact CD2-CG1 4.49Å; L476-V610 HydrophobicContact CD2-CG2 3.89Å; F485-V610 HydrophobicContact CB-CG2 3.95Å; F485-V610 HydrophobicContact CD1-CG1 4.07Å; F485-V610 HydrophobicContact CD1-CG2 4.16Å; F485-V610 HydrophobicContact CD2-CG1 3.85Å; F485-V610 HydrophobicContact CD2-CG2 4.3Å; F485-V610 HydrophobicContact CE1-CG1 3.96Å; F485-V610 HydrophobicContact CE2-CG1 3.74Å; F485-V610 HydrophobicContact CG-CG1 4.03Å; F485-V610 HydrophobicContact CG-CG2 3.88Å; F485-V610 HydrophobicContact CZ-CG1 3.8Å; I487-V610 HydrophobicContact CD1-CG2 4.13Å; I487-V610 HydrophobicContact CG1-CG2 3.98Å; H509-V610 PolarHBondContact ND1-N 2.96Å; H509-V610 VanDerWaalsContact ND1-N 3.18Å; G510-V610 PolarHBondContact N-O 2.89Å; V610-R630 HydrophobicContact CG1-CB 4.32Å; V610-A631 HydrophobicContact CG1-CB 3.9Å
611	A	94	Very high	84.2	Confident	2 Å²	2	40.6 Å²	40.6	2%	0.017	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	148.7	175.1	0	0	0	0	0	111.6	V513 I604 L609 R630 A631	V513-A611 HydrophobicContact CG1-CB 4.49Å; V513-A611 HydrophobicContact CG2-CB 4.02Å; I604-A611 HydrophobicContact CD1-CB 3.63Å; I604-A611 HydrophobicContact CG1-CB 3.86Å; I604-A611 HydrophobicContact CG2-CB 4.14Å; L609-A611 VanDerWaalsContact C-N 3.32Å; L609-A611 PolarHBondContact O-N 3.27Å; L609-A611 VanDerWaalsContact O-N 3.15Å; A611-R630 PolarHBondContact O-N 2.88Å; A611-A631 PolarHBondContact O-N 2.85Å
612	C	94.9	Very high	82.7	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.3	-171.3	-67.8	0	0	0	0	113.7	S511 V512 V513 A631 V649	S511-C612 PolarHBondContact O-N 3.23Å; V512-C612 WeakPolarHBondContact CA-O 3.27Å; V513-C612 PolarHBondContact N-O 3.18Å; C612-A631 CarbonylContact C-O 3.57Å; C612-A631 VanDerWaalsContact CA-O 3.3Å; C612-A631 WeakPolarHBondContact CA-O 3.2Å; C612-V649 HydrophobicContact CB-CG1 3.66Å; C612-V649 HydrophobicContact CB-CG2 4.33Å; C612-V649 VanDerWaalsContact SG-CG2 3.56Å
613	G	92.5	Very high	80.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.9	164.3	0	0	0	0	0	110.9	I514 A631 N632 Y633	I514-G613 WeakPolarHBondContact O-CA 3.33Å; G613-A631 PolarHBondContact N-O 3.13Å; G613-N632 CarbonylContact O-C 3.46Å; G613-N632 VanDerWaalsContact O-CA 3.3Å; G613-N632 WeakPolarHBondContact O-CA 3.39Å; G613-Y633 PolarHBondContact O-N 3.5Å
614	V	92.8	Very high	79.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	131.5	176.7	-169.9	0	0	0	0	109	V512 I514 A515 A516 Y633 A635 V640 Y643 V649	V512-V614 HydrophobicContact CG1-CG2 4.38Å; V512-V614 HydrophobicContact CG2-CG2 4.05Å; I514-V614 PolarHBondContact O-N 3.27Å; A515-V614 CarbonylContact C-O 3.6Å; A515-V614 VanDerWaalsContact CA-O 3.29Å; A515-V614 WeakPolarHBondContact CA-O 3.44Å; A516-V614 PolarHBondContact N-O 3.2Å; V614-Y633 WeakPolarHBondContact CA-O 3.47Å; V614-A635 HydrophobicContact CG1-CB 3.9Å; V614-V640 HydrophobicContact CG1-CG2 4.25Å; V614-Y643 HydrophobicContact CG1-CD2 3.97Å; V614-Y643 HydrophobicContact CG1-CG 4.49Å; V614-Y643 HydrophobicContact CG2-CG 4.38Å; V614-V649 HydrophobicContact CG2-CG1 3.88Å
615	L	87.5	Confident	77.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	151.1	-175.4	56.6	141.5	0	0	0	113.7	A516 I518 G617 L625 Y633 L634 A635	A516-L615 HydrophobicContact CB-CB 4.12Å; A516-L615 CarbonylContact O-C 3.34Å; A516-L615 WeakPolarHBondContact O-CA 3.5Å; I518-L615 HydrophobicContact CD1-CB 3.92Å; I518-L615 HydrophobicContact CD1-CD1 3.72Å; I518-L615 HydrophobicContact CD1-CG 4.47Å; I518-L615 HydrophobicContact CG1-CB 4.45Å; L615-G617 PolarHBondContact O-N 3.07Å; L615-L625 HydrophobicContact CD2-CD1 3.78Å; L615-L625 HydrophobicContact CD2-CD2 4.29Å; L615-L625 HydrophobicContact CD2-CG 4.49Å; L615-Y633 PolarHBondContact N-O 2.76Å; L615-L634 HydrophobicContact CD1-CD2 3.8Å; L615-L634 HydrophobicContact CG-CD2 3.88Å; L615-L634 VanDerWaalsContact O-CA 3.25Å; L615-L634 WeakPolarHBondContact O-CA 3.45Å; L615-A635 PolarHBondContact O-N 2.93Å
616	S	83.3	Confident	76.7	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-88.8	32.6	173.8	63.3	0	0	0	0	114.1	A516 V517 I518 S519 N522 A635	A516-S616 PolarHBondContact O-N 2.73Å; V517-S616 WeakPolarHBondContact CA-OG 3.43Å; I518-S616 PolarHBondContact N-OG 2.96Å; I518-S616 CarbonylContact O-C 3.54Å; I518-S616 PolarHBondContact O-OG 3.04Å; S519-S616 VanDerWaalsContact CB-O 3.27Å; S519-S616 WeakPolarHBondContact CB-O 3Å; N522-S616 PolarHBondContact ND2-O 3Å; S616-A635 WeakPolarHBondContact CA-O 3.4Å; S616-A635 VanDerWaalsContact CB-O 3.29Å; S616-A635 WeakPolarHBondContact CB-O 3.48Å
617	G	70.8	Confident	75.6	Confident	5 Å²	5	39 Å²	39	5%	0.052	20%	0.2	C	C	.	.	S	Bend	trans	-81.5	-169.3	175.8	0	0	0	0	0	114.4	L615 L634	L615-G617 PolarHBondContact O-N 3.07Å; G617-L634 WeakPolarHBondContact O-CD2 3.36Å
618	N	64.1	Low	75.1	Confident	68 Å²	68	39.2 Å²	39.2	36%	0.364	20%	0.2	S	C	.	.	S	Bend	trans	-120.3	-3.6	176.6	62.4	19.1	0	0	0	114.1	T521	T521-N618 PolarHBondContact OG1-ND2 3.23Å; T521-N618 VanDerWaalsContact OG1-ND2 3.17Å
619	R	56.5	Low	74.8	Confident	142 Å²	142	35.5 Å²	35.5	54%	0.536	18%	0.18	S	C	.	.			trans	-145.9	136.8	179.8	-65.2	-179.8	-171.9	-168.5	2.9	110.6
620	H	58.5	Low	74.5	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.			trans	-150.5	38.6	-171.3	67.4	-92.5	0	0	0	114.9	S454 G455 R458 P459 N632 L634	S454-H620 PolarHBondContact O-CE1 2.92Å; S454-H620 PolarHBondContact O-NE2 3.3Å; G455-H620 WeakPolarHBondContact CA-NE2 3.35Å; R458-H620 VanDerWaalsContact C-NE2 3.27Å; R458-H620 PolarHBondContact N-NE2 3.01Å; R458-H620 PolarHBondContact O-CE1 3.24Å; R458-H620 PolarHBondContact O-NE2 3.49Å; P459-H620 VanDerWaalsContact CA-CE1 3.46Å; P459-H620 WeakPolarHBondContact CA-CE1 3.24Å; H620-N632 HydrophobicContact CB-CB 3.85Å; H620-N632 PolarHBondContact CD2-O 2.86Å; H620-N632 PolarHBondContact NE2-O 3.32Å; H620-L634 HydrophobicContact CB-CD2 3.87Å; H620-L634 HydrophobicContact CB-CG 4.33Å; H620-L634 WeakPolarHBondContact ND1-CD1 3.23Å; H620-L634 WeakPolarHBondContact ND1-CG 3.22Å
621	F	56.5	Low	74.3	Confident	103 Å²	103	38 Å²	38	45%	0.452	19%	0.189	S	C	.	.			trans	-53.7	149.7	179.9	-56.3	-67.6	0	0	0	113.1	R624	F621-R624 WeakPolarHBondContact O-CB 3.28Å; F621-R624 PolarHBondContact O-N 3.16Å
622	E	57.8	Low	74	Confident	99 Å²	99	37.9 Å²	37.9	46%	0.463	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	137.5	175.6	-171.7	166.1	-152.1	0	0	111.1	K457 R624	K457-E622 WeakPolarHBondContact CD-OE2 2.84Å; K457-E622 VanDerWaalsContact CE-CD 3.41Å; K457-E622 VanDerWaalsContact CE-OE1 3.26Å; K457-E622 WeakPolarHBondContact CE-OE1 3.44Å; K457-E622 WeakPolarHBondContact CE-OE2 3.35Å; K457-E622 IonicContact NZ-OE1 2.78Å; K457-E622 PolarHBondContact NZ-OE1 3.2Å; K457-E622 IonicContact NZ-OE2 2.7Å; K457-E622 PolarHBondContact NZ-OE2 2.96Å; E622-R624 PolarHBondContact O-N 2.83Å
623	G	53.9	Low	73.8	Confident	36 Å²	36	38 Å²	38	37%	0.371	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-4.4	-174.1	0	0	0	0	0	116.2	L625	G623-L625 PolarHBondContact O-N 3.33Å
624	R	59.7	Low	73.5	Confident	66 Å²	66	38.9 Å²	38.9	25%	0.249	19%	0.193	C	C	.	.	S	Bend	trans	-70.4	-29.4	-176.5	-173.4	-178	-179.7	96.2	-4.4	114.4	C589 G591 F621 E622	C589-R624 VanDerWaalsContact O-CZ 3.29Å; C589-R624 PolarHBondContact O-NE 3.15Å; C589-R624 PolarHBondContact O-NH2 3.28Å; G591-R624 WeakPolarHBondContact CA-O 3.14Å; F621-R624 WeakPolarHBondContact O-CB 3.28Å; F621-R624 PolarHBondContact O-N 3.16Å; E622-R624 PolarHBondContact O-N 2.83Å
625	L	59.8	Low	73.2	Confident	11 Å²	11	39.2 Å²	39.2	6%	0.058	20%	0.196	C	C	.	.	S	Bend	trans	-89.1	-54.2	180	-59	-170.2	0	0	0	111.8	I514 T588 T593 L615 G623 N632	I514-L625 HydrophobicContact CB-CD1 4.48Å; I514-L625 HydrophobicContact CD1-CB 3.93Å; I514-L625 HydrophobicContact CD1-CD1 4.13Å; I514-L625 HydrophobicContact CG2-CD1 4.22Å; T588-L625 HydrophobicContact CG2-CD2 3.69Å; T593-L625 PolarHBondContact OG1-O 2.87Å; L615-L625 HydrophobicContact CD2-CD1 3.78Å; L615-L625 HydrophobicContact CD2-CD2 4.29Å; L615-L625 HydrophobicContact CD2-CG 4.49Å; G623-L625 PolarHBondContact O-N 3.33Å; L625-N632 WeakPolarHBondContact CD1-OD1 3.48Å; L625-N632 WeakPolarHBondContact CG-OD1 3.37Å
626	C	68	Low	73.2	Confident	31 Å²	31	39.5 Å²	39.5	21%	0.209	20%	0.198	C	C	.	.			trans	-164.2	157.3	168.6	63.9	0	0	0	0	109.3	C628 V629	C626-C628 PolarHBondContact O-N 3.25Å; C626-C628 VanDerWaalsContact O-N 3.1Å; C626-C628 VanDerWaalsContact SG-SG 3.62Å; C626-V629 PolarHBondContact O-N 2.8Å; C626-V629 VanDerWaalsContact O-N 3.09Å; C626-V629 VanDerWaalsContact SG-CG2 3.54Å
627	D	69.7	Low	73.5	Confident	158 Å²	158	39.5 Å²	39.5	85%	0.845	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.7	-171.4	-59.6	-27.3	0	0	0	114.7
628	C	78.4	Confident	74.6	Confident	20 Å²	20	39.3 Å²	39.3	14%	0.135	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5	-179.6	64.5	0	0	0	0	114.4	I604 C626	I604-C628 HydrophobicContact CD1-CB 4.38Å; I604-C628 HydrophobicContact CG2-CB 4.15Å; C626-C628 PolarHBondContact O-N 3.25Å; C626-C628 VanDerWaalsContact O-N 3.1Å; C626-C628 VanDerWaalsContact SG-SG 3.62Å
629	V	84.2	Confident	75.9	Confident	2 Å²	2	36.1 Å²	36.1	1%	0.012	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	101.7	176.8	173.6	0	0	0	0	110.4	V513 I514 L596 C626 A631 N632	V513-V629 HydrophobicContact CG2-CG2 3.56Å; I514-V629 HydrophobicContact CD1-CG2 4.03Å; L596-V629 HydrophobicContact CD1-CG2 4.33Å; C626-V629 PolarHBondContact O-N 2.8Å; C626-V629 VanDerWaalsContact O-N 3.09Å; C626-V629 VanDerWaalsContact SG-CG2 3.54Å; V629-A631 VanDerWaalsContact CG1-O 3.29Å; V629-A631 WeakPolarHBondContact CG1-O 3.33Å; V629-N632 VanDerWaalsContact CG1-OD1 3.25Å; V629-N632 WeakPolarHBondContact CG1-OD1 3.39Å
630	R	86.8	Confident	77.7	Confident	55 Å²	55	29.3 Å²	29.3	21%	0.208	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-25.3	-175.7	-67.8	165.3	66.5	177.6	7.2	113.3	F485 D608 V610 A611	F485-R630 HydrophobicContact CD1-CB 4.45Å; F485-R630 HydrophobicContact CE1-CB 4.03Å; F485-R630 WeakPolarHBondContact CE1-O 3.32Å; D608-R630 PolarHBondContact O-NH1 3.28Å; D608-R630 VanDerWaalsContact O-NH1 3.12Å; D608-R630 IonicContact OD1-CZ 2.94Å; D608-R630 IonicContact OD1-NH1 2.74Å; D608-R630 PolarHBondContact OD1-NH1 3.27Å; V610-R630 HydrophobicContact CG1-CB 4.32Å; A611-R630 PolarHBondContact O-N 2.88Å
631	A	90.8	Very high	79.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.6	179.4	0	0	0	0	0	110.6	P456 F472 F485 V610 A611 C612 G613 V629 Y633	P456-A631 HydrophobicContact CB-CB 3.82Å; F472-A631 HydrophobicContact CE2-CB 4.42Å; F485-A631 HydrophobicContact CE2-CB 4.28Å; F485-A631 HydrophobicContact CZ-CB 3.7Å; V610-A631 HydrophobicContact CG1-CB 3.9Å; A611-A631 PolarHBondContact O-N 2.85Å; C612-A631 CarbonylContact C-O 3.57Å; C612-A631 VanDerWaalsContact CA-O 3.3Å; C612-A631 WeakPolarHBondContact CA-O 3.2Å; G613-A631 PolarHBondContact N-O 3.13Å; V629-A631 VanDerWaalsContact CG1-O 3.29Å; V629-A631 WeakPolarHBondContact CG1-O 3.33Å; A631-Y633 HydrophobicContact CB-CE2 4.2Å
632	N	88.1	Confident	81.3	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136	178.8	-59.3	-83.3	0	0	0	109.9	G455 P456 G613 H620 L625 V629	G455-N632 WeakPolarHBondContact CA-O 3.03Å; P456-N632 CarbonylContact C-O 3.6Å; P456-N632 VanDerWaalsContact CA-O 3.29Å; P456-N632 WeakPolarHBondContact CA-O 3.35Å; P456-N632 PolarHBondContact O-N 2.88Å; G613-N632 CarbonylContact O-C 3.46Å; G613-N632 VanDerWaalsContact O-CA 3.3Å; G613-N632 WeakPolarHBondContact O-CA 3.39Å; H620-N632 HydrophobicContact CB-CB 3.85Å; H620-N632 PolarHBondContact CD2-O 2.86Å; H620-N632 PolarHBondContact NE2-O 3.32Å; L625-N632 WeakPolarHBondContact CD1-OD1 3.48Å; L625-N632 WeakPolarHBondContact CG-OD1 3.37Å; V629-N632 VanDerWaalsContact CG1-OD1 3.25Å; V629-N632 WeakPolarHBondContact CG1-OD1 3.39Å
633	Y	90.3	Very high	83.1	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.008	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	130.3	-178.5	-70.2	-88.2	0	0	0	111.1	V453 S454 P456 M468 F472 G613 V614 L615 A631 V649	V453-Y633 HydrophobicContact CB-CD1 4.26Å; V453-Y633 HydrophobicContact CG2-CD1 3.74Å; V453-Y633 HydrophobicContact CG2-CE1 4.25Å; S454-Y633 CarbonylContact O-C 3.58Å; S454-Y633 WeakPolarHBondContact O-CA 3.37Å; P456-Y633 HydrophobicContact CB-CE1 4.38Å; P456-Y633 HydrophobicContact CB-CE2 4.04Å; M468-Y633 HydrophobicContact SD-CD1 4.21Å; M468-Y633 HydrophobicContact SD-CE1 3.54Å; M468-Y633 VanDerWaalsContact SD-CE1 3.54Å; F472-Y633 WeakPolarHBondContact CD2-OH 3.44Å; G613-Y633 PolarHBondContact O-N 3.5Å; V614-Y633 WeakPolarHBondContact CA-O 3.47Å; L615-Y633 PolarHBondContact N-O 2.76Å; A631-Y633 HydrophobicContact CB-CE2 4.2Å; Y633-V649 HydrophobicContact CD2-CG1 4.28Å; Y633-V649 HydrophobicContact CE2-CG1 4.48Å; Y633-V649 HydrophobicContact CE2-CG2 4.23Å
634	L	85.3	Confident	85.1	Confident	19 Å²	19	18.1 Å²	18.1	10%	0.099	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	131.6	164	-54.2	177.6	0	0	0	109.1	V453 S454 P459 L615 G617 H620	V453-L634 CarbonylContact C-O 3.56Å; V453-L634 WeakPolarHBondContact CA-O 3.2Å; V453-L634 WeakPolarHBondContact CB-O 3.36Å; S454-L634 PolarHBondContact N-O 3.14Å; S454-L634 PolarHBondContact O-N 3.1Å; P459-L634 HydrophobicContact CB-CD1 4.25Å; L615-L634 HydrophobicContact CD1-CD2 3.8Å; L615-L634 HydrophobicContact CG-CD2 3.88Å; L615-L634 VanDerWaalsContact O-CA 3.25Å; L615-L634 WeakPolarHBondContact O-CA 3.45Å; G617-L634 WeakPolarHBondContact O-CD2 3.36Å; H620-L634 HydrophobicContact CB-CD2 3.87Å; H620-L634 HydrophobicContact CB-CG 4.33Å; H620-L634 WeakPolarHBondContact ND1-CD1 3.23Å; H620-L634 WeakPolarHBondContact ND1-CG 3.22Å
635	A	88.1	Confident	86.9	Confident	7 Å²	7	15.3 Å²	15.3	6%	0.058	8%	0.082	C	C	.	.			trans	-144	161.2	177.5	0	0	0	0	0	110	V453 V614 L615 S616 L639 V640	V453-A635 HydrophobicContact CG1-CB 3.84Å; V614-A635 HydrophobicContact CG1-CB 3.9Å; L615-A635 PolarHBondContact O-N 2.93Å; S616-A635 WeakPolarHBondContact CA-O 3.4Å; S616-A635 VanDerWaalsContact CB-O 3.29Å; S616-A635 WeakPolarHBondContact CB-O 3.48Å; A635-L639 HydrophobicContact CB-CB 3.74Å; A635-L639 HydrophobicContact CB-CD1 4.34Å; A635-V640 HydrophobicContact CB-CG2 4.32Å
636	S	87.6	Confident	88.6	Confident	6 Å²	6	15.3 Å²	15.3	4%	0.042	8%	0.084	C	C	.	.			trans	-66	152.8	171.8	64.2	0	0	0	0	110.7	P638 L639 V640	S636-P638 VanDerWaalsContact C-CD 3.46Å; S636-L639 WeakPolarHBondContact O-CA 3.44Å; S636-L639 WeakPolarHBondContact O-CB 3.31Å; S636-L639 PolarHBondContact O-N 2.84Å; S636-L639 VanDerWaalsContact OG-CD1 3.31Å; S636-L639 WeakPolarHBondContact OG-CD1 3.3Å; S636-L639 WeakPolarHBondContact OG-CG 3.47Å; S636-V640 PolarHBondContact O-N 3.47Å
637	P	89.5	Confident	90	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-40.1	-48.3	175.7	-33.6	35.2	0	0	0	116.7	V517 N522 V528 M529 A532 L639 V640 V641	V517-P637 HydrophobicContact CG1-CB 3.9Å; V517-P637 HydrophobicContact CG1-CG 4.27Å; N522-P637 HydrophobicContact CB-CG 4.15Å; V528-P637 HydrophobicContact CG1-CB 4.27Å; V528-P637 HydrophobicContact CG1-CG 3.93Å; M529-P637 HydrophobicContact SD-CB 3.75Å; M529-P637 HydrophobicContact SD-CG 3.66Å; A532-P637 HydrophobicContact CB-CB 3.88Å; P637-L639 VanDerWaalsContact C-N 3.32Å; P637-L639 PolarHBondContact O-N 2.82Å; P637-V640 PolarHBondContact O-N 3.45Å; P637-V641 PolarHBondContact O-N 2.87Å
638	P	92.1	Very high	91.3	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-65.7	-34.5	178.2	25	-34.4	0	0	0	112.4	T339 T531 A532 M535 S636 V641 A642 W673	T339-P638 HydrophobicContact CG2-CG 3.83Å; T531-P638 HydrophobicContact CG2-CB 3.92Å; T531-P638 HydrophobicContact CG2-CG 3.9Å; A532-P638 HydrophobicContact CB-CB 4.13Å; M535-P638 WeakPolarHBondContact CE-O 3.34Å; M535-P638 HydrophobicContact SD-CB 4.29Å; S636-P638 VanDerWaalsContact C-CD 3.46Å; P638-V641 PolarHBondContact O-N 2.83Å; P638-A642 PolarHBondContact O-N 3.26Å; P638-W673 HydrophobicContact CB-CH2 3.78Å; P638-W673 HydrophobicContact CB-CZ2 4.48Å; P638-W673 HydrophobicContact CB-CZ3 3.89Å; P638-W673 HydrophobicContact CG-CH2 3.72Å; P638-W673 HydrophobicContact CG-CZ2 4.25Å; P638-W673 HydrophobicContact CG-CZ3 4.34Å
639	L	92.3	Very high	92.1	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.04	C	C	.	.	H	α-helix	trans	-69.5	-35	176.8	-62.3	174.4	0	0	0	112.6	I465 A635 S636 P637 V641 A642 Y643 W673	I465-L639 HydrophobicContact CD1-CD1 3.53Å; I465-L639 HydrophobicContact CD1-CD2 3.34Å; I465-L639 HydrophobicContact CD1-CG 4.06Å; I465-L639 HydrophobicContact CG1-CD1 4.38Å; A635-L639 HydrophobicContact CB-CB 3.74Å; A635-L639 HydrophobicContact CB-CD1 4.34Å; S636-L639 WeakPolarHBondContact O-CA 3.44Å; S636-L639 WeakPolarHBondContact O-CB 3.31Å; S636-L639 PolarHBondContact O-N 2.84Å; S636-L639 VanDerWaalsContact OG-CD1 3.31Å; S636-L639 WeakPolarHBondContact OG-CD1 3.3Å; S636-L639 WeakPolarHBondContact OG-CG 3.47Å; P637-L639 VanDerWaalsContact C-N 3.32Å; P637-L639 PolarHBondContact O-N 2.82Å; L639-V641 VanDerWaalsContact C-N 3.27Å; L639-V641 PolarHBondContact O-N 2.81Å; L639-A642 PolarHBondContact O-N 3.4Å; L639-Y643 HydrophobicContact CB-CD2 4.48Å; L639-Y643 WeakPolarHBondContact O-CD2 3.4Å; L639-Y643 PolarHBondContact O-N 3.42Å; L639-W673 HydrophobicContact CD2-CH2 3.77Å; L639-W673 HydrophobicContact CD2-CZ3 3.83Å; L639-W673 HydrophobicContact CG-CH2 4.2Å
640	V	93.7	Very high	92.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-58.1	-43.9	171.9	179.7	0	0	0	0	110.3	A515 V517 F579 V614 A635 S636 P637 A644	A515-V640 HydrophobicContact CB-CG1 4.07Å; V517-V640 HydrophobicContact CG2-CB 3.95Å; V517-V640 HydrophobicContact CG2-CG1 3.86Å; F579-V640 HydrophobicContact CE1-CG1 4.14Å; F579-V640 HydrophobicContact CZ-CG1 4.42Å; V614-V640 HydrophobicContact CG1-CG2 4.25Å; A635-V640 HydrophobicContact CB-CG2 4.32Å; S636-V640 PolarHBondContact O-N 3.47Å; P637-V640 PolarHBondContact O-N 3.45Å; V640-A644 WeakPolarHBondContact O-CB 3.34Å; V640-A644 PolarHBondContact O-N 2.63Å
641	V	94.9	Very high	93	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-66.8	-42.4	176.2	179.8	0	0	0	0	111	V517 M535 A536 F574 L577 F579 P637 P638 L639 A644 I645	V517-V641 HydrophobicContact CG2-CG2 4.2Å; M535-V641 HydrophobicContact CE-CB 3.51Å; M535-V641 HydrophobicContact CE-CG1 3.42Å; M535-V641 VanDerWaalsContact CE-CG1 3.42Å; A536-V641 HydrophobicContact CB-CG1 4.5Å; F574-V641 HydrophobicContact CD1-CG2 4.48Å; F574-V641 HydrophobicContact CE1-CG2 3.84Å; L577-V641 HydrophobicContact CD1-CG1 3.88Å; F579-V641 HydrophobicContact CD2-CG2 4.33Å; F579-V641 HydrophobicContact CE1-CG2 4.37Å; F579-V641 HydrophobicContact CE2-CB 4.26Å; F579-V641 HydrophobicContact CE2-CG1 4.16Å; F579-V641 HydrophobicContact CE2-CG2 3.88Å; F579-V641 HydrophobicContact CZ-CB 4.36Å; F579-V641 HydrophobicContact CZ-CG2 3.89Å; P637-V641 PolarHBondContact O-N 2.87Å; P638-V641 PolarHBondContact O-N 2.83Å; L639-V641 VanDerWaalsContact C-N 3.27Å; L639-V641 PolarHBondContact O-N 2.81Å; V641-A644 WeakPolarHBondContact O-CB 3.49Å; V641-A644 PolarHBondContact O-N 3.47Å; V641-A644 VanDerWaalsContact O-N 3.17Å; V641-I645 HydrophobicContact CG1-CD1 3.97Å; V641-I645 WeakPolarHBondContact O-CG1 3.49Å; V641-I645 PolarHBondContact O-N 3.39Å
642	A	95.4	Very high	93.2	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-62.1	-45.5	178.8	0	0	0	0	0	112.5	M535 P638 L639 A644 I645 A646 F653 L669	M535-A642 HydrophobicContact CE-CB 4.21Å; M535-A642 HydrophobicContact SD-CB 4.42Å; P638-A642 PolarHBondContact O-N 3.26Å; L639-A642 PolarHBondContact O-N 3.4Å; A642-A644 VanDerWaalsContact C-N 3.31Å; A642-A644 PolarHBondContact O-N 2.71Å; A642-I645 PolarHBondContact O-N 2.84Å; A642-A646 PolarHBondContact O-N 3.25Å; A642-F653 HydrophobicContact CB-CE1 4.41Å; A642-F653 HydrophobicContact CB-CZ 4.12Å; A642-L669 HydrophobicContact CB-CD1 3.69Å
643	Y	96.7	Very high	93.4	Very high	3 Å²	3	7.8 Å²	7.8	1%	0.012	5%	0.05	C	C	.	.	H	α-helix	trans	-67.7	-28.5	174.8	-75.9	-61	0	0	0	112.9	V453 V614 L639 G647 T648 V649 I651 F653	V453-Y643 HydrophobicContact CG1-CE2 3.9Å; V614-Y643 HydrophobicContact CG1-CD2 3.97Å; V614-Y643 HydrophobicContact CG1-CG 4.49Å; V614-Y643 HydrophobicContact CG2-CG 4.38Å; L639-Y643 HydrophobicContact CB-CD2 4.48Å; L639-Y643 WeakPolarHBondContact O-CD2 3.4Å; L639-Y643 PolarHBondContact O-N 3.42Å; Y643-G647 WeakPolarHBondContact O-CA 3.44Å; Y643-G647 PolarHBondContact O-N 3.43Å; Y643-T648 WeakPolarHBondContact CD1-O 3.32Å; Y643-V649 HydrophobicContact CD1-CB 4.48Å; Y643-V649 HydrophobicContact CD1-CG1 4.46Å; Y643-V649 HydrophobicContact CE1-CB 4.42Å; Y643-I651 HydrophobicContact CD1-CG2 4.32Å; Y643-I651 HydrophobicContact CE1-CG2 4.06Å; Y643-F653 HydrophobicContact CD1-CE2 4.22Å; Y643-F653 AromaticContact CD1-CZ 3.68Å; Y643-F653 HydrophobicContact CD1-CZ 3.68Å; Y643-F653 AromaticContact CE1-CE2 3.62Å; Y643-F653 HydrophobicContact CE1-CE2 3.62Å; Y643-F653 AromaticContact CE1-CZ 3.53Å; Y643-F653 HydrophobicContact CE1-CZ 3.53Å; Y643-F653 HydrophobicContact CE2-CE2 4.17Å; Y643-F653 HydrophobicContact CE2-CZ 4.41Å; Y643-F653 HydrophobicContact CG-CZ 4.19Å; Y643-F653 AromaticContact CZ-CE2 3.59Å; Y643-F653 AromaticContact CZ-CZ 3.92Å
644	A	96.7	Very high	93.3	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-68	-43.1	172.3	0	0	0	0	0	112.1	A515 V546 I550 T552 F579 V640 V641 A642 G647	A515-A644 HydrophobicContact CB-CB 3.63Å; V546-A644 HydrophobicContact CG1-CB 4.16Å; V546-A644 HydrophobicContact CG2-CB 3.92Å; I550-A644 WeakPolarHBondContact CD1-O 3.17Å; T552-A644 HydrophobicContact CG2-CB 4.2Å; F579-A644 HydrophobicContact CE2-CB 4Å; F579-A644 HydrophobicContact CZ-CB 3.73Å; V640-A644 WeakPolarHBondContact O-CB 3.34Å; V640-A644 PolarHBondContact O-N 2.63Å; V641-A644 WeakPolarHBondContact O-CB 3.49Å; V641-A644 PolarHBondContact O-N 3.47Å; V641-A644 VanDerWaalsContact O-N 3.17Å; A642-A644 VanDerWaalsContact C-N 3.31Å; A642-A644 PolarHBondContact O-N 2.71Å; A644-G647 PolarHBondContact O-N 2.97Å
645	I	96.5	Very high	93.7	Very high	7 Å²	7	19.4 Å²	19.4	4%	0.036	10%	0.101	C	C	.	.	H	α-helix	trans	-64.1	-51	177.1	-65.4	163.1	0	0	0	110.1	A539 L544 V546 L577 V641 A642 G647 L658 I672	A539-I645 HydrophobicContact CB-CD1 3.71Å; L544-I645 HydrophobicContact CB-CG2 4.11Å; L544-I645 HydrophobicContact CD1-CG2 4.11Å; V546-I645 HydrophobicContact CG2-CG1 4.01Å; L577-I645 HydrophobicContact CD1-CD1 4.14Å; L577-I645 HydrophobicContact CD1-CG1 4.44Å; V641-I645 HydrophobicContact CG1-CD1 3.97Å; V641-I645 WeakPolarHBondContact O-CG1 3.49Å; V641-I645 PolarHBondContact O-N 3.39Å; A642-I645 PolarHBondContact O-N 2.84Å; I645-G647 PolarHBondContact O-N 3.02Å; I645-L658 HydrophobicContact CG2-CB 4.17Å; I645-I672 HydrophobicContact CD1-CD1 4.33Å
646	A	96.4	Very high	94	Very high	11 Å²	11	22.1 Å²	22.1	9%	0.091	11%	0.113	C	C	.	.	H	α-helix	trans	-60.1	-35.5	175.3	0	0	0	0	0	112.3	K547 A642 T648 I651 F653 L658	K547-A646 PolarHBondContact NZ-O 3.19Å; K547-A646 VanDerWaalsContact NZ-O 3.08Å; A642-A646 PolarHBondContact O-N 3.25Å; A646-T648 PolarHBondContact O-N 3.49Å; A646-I651 HydrophobicContact CB-CD1 3.87Å; A646-I651 HydrophobicContact CB-CG2 4.22Å; A646-F653 HydrophobicContact CB-CE1 4.41Å; A646-L658 HydrophobicContact CB-CD2 4.09Å
647	G	96.6	Very high	94.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	12%	0.12	C	C	.	.			trans	67.9	14.5	-176.9	0	0	0	0	0	114	S511 V512 Y643 A644 I645	S511-G647 WeakPolarHBondContact CA-O 3.29Å; V512-G647 PolarHBondContact N-O 2.75Å; Y643-G647 WeakPolarHBondContact O-CA 3.44Å; Y643-G647 PolarHBondContact O-N 3.43Å; A644-G647 PolarHBondContact O-N 2.97Å; I645-G647 PolarHBondContact O-N 3.02Å
648	T	96.6	Very high	94.6	Very high	40 Å²	40	24.1 Å²	24.1	25%	0.245	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-147.8	146.1	174.9	-174.7	0	0	0	0	109.6	G510 Y643 A646 G650 I651	G510-T648 CarbonylContact O-C 3.59Å; G510-T648 WeakPolarHBondContact O-CA 3.23Å; G510-T648 PolarHBondContact O-OG1 3.44Å; Y643-T648 WeakPolarHBondContact CD1-O 3.32Å; A646-T648 PolarHBondContact O-N 3.49Å; T648-G650 PolarHBondContact OG1-N 3.2Å; T648-G650 VanDerWaalsContact OG1-N 3.15Å; T648-I651 HydrophobicContact CG2-CB 4.13Å
649	V	95.9	Very high	94.6	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.006	13%	0.129	C	C	.	.	S	Bend	trans	-82	-24.1	169.1	-53.3	0	0	0	0	111.3	M468 F472 G510 V512 C612 V614 Y633 Y643 I651	M468-V649 HydrophobicContact CE-CB 3.47Å; M468-V649 VanDerWaalsContact CE-CB 3.47Å; M468-V649 HydrophobicContact CE-CG2 3.67Å; M468-V649 WeakPolarHBondContact CE-O 3.47Å; F472-V649 HydrophobicContact CD1-CG2 4.28Å; F472-V649 HydrophobicContact CD2-CG2 3.99Å; F472-V649 HydrophobicContact CE2-CG2 4.28Å; F472-V649 HydrophobicContact CG-CG2 4Å; G510-V649 PolarHBondContact O-N 3.46Å; V512-V649 HydrophobicContact CG2-CG1 3.63Å; C612-V649 HydrophobicContact CB-CG1 3.66Å; C612-V649 HydrophobicContact CB-CG2 4.33Å; C612-V649 VanDerWaalsContact SG-CG2 3.56Å; V614-V649 HydrophobicContact CG2-CG1 3.88Å; Y633-V649 HydrophobicContact CD2-CG1 4.28Å; Y633-V649 HydrophobicContact CE2-CG1 4.48Å; Y633-V649 HydrophobicContact CE2-CG2 4.23Å; Y643-V649 HydrophobicContact CD1-CB 4.48Å; Y643-V649 HydrophobicContact CD1-CG1 4.46Å; Y643-V649 HydrophobicContact CE1-CB 4.42Å; V649-I651 PolarHBondContact O-N 2.89Å
650	G	94.8	Very high	94.5	Very high	20 Å²	20	31.9 Å²	31.9	21%	0.206	16%	0.156	C	C	.	.	S	Bend	trans	-77.3	41.9	-177.4	0	0	0	0	0	115.1	K469 T648	K469-G650 WeakPolarHBondContact CD-O 3.4Å; K469-G650 VanDerWaalsContact CE-O 3.29Å; K469-G650 WeakPolarHBondContact CE-O 3.47Å; T648-G650 PolarHBondContact OG1-N 3.2Å; T648-G650 VanDerWaalsContact OG1-N 3.15Å
651	I	95	Very high	94.2	Very high	10 Å²	10	33.1 Å²	33.1	5%	0.051	16%	0.164	C	C	.	.			trans	-114	140.8	-179.4	-175.6	169.1	0	0	0	110.7	Y643 A646 T648 V649 F653 E656 L658	Y643-I651 HydrophobicContact CD1-CG2 4.32Å; Y643-I651 HydrophobicContact CE1-CG2 4.06Å; A646-I651 HydrophobicContact CB-CD1 3.87Å; A646-I651 HydrophobicContact CB-CG2 4.22Å; T648-I651 HydrophobicContact CG2-CB 4.13Å; V649-I651 PolarHBondContact O-N 2.89Å; I651-F653 HydrophobicContact CD1-CD1 3.93Å; I651-F653 HydrophobicContact CD1-CE1 4.02Å; I651-F653 HydrophobicContact CG1-CD1 4.15Å; I651-F653 HydrophobicContact CG1-CE1 4.39Å; I651-F653 HydrophobicContact CG2-CD1 4Å; I651-F653 HydrophobicContact CG2-CE1 3.54Å; I651-F653 HydrophobicContact CG2-CE2 4.33Å; I651-F653 HydrophobicContact CG2-CZ 3.74Å; I651-E656 HydrophobicContact CD1-CB 4.34Å; I651-E656 HydrophobicContact CG1-CB 3.95Å; I651-L658 HydrophobicContact CD1-CD2 4.29Å
652	D	94.3	Very high	93.6	Very high	22 Å²	22	39 Å²	39	12%	0.118	21%	0.205	C	C	.	.			trans	-99.8	99.4	166.8	179.5	-16.5	0	0	0	108.9	K469 E654 K655 E656	K469-D652 HydrophobicContact CD-CB 4.13Å; D652-E654 PolarHBondContact O-N 3.17Å; D652-E654 VanDerWaalsContact O-N 3.08Å; D652-E654 PolarHBondContact OD1-N 3.07Å; D652-K655 HydrophobicContact CB-CB 4.4Å; D652-K655 PolarHBondContact O-N 2.94Å; D652-K655 PolarHBondContact OD1-N 3.44Å; D652-K655 VanDerWaalsContact OD2-CD 3.3Å; D652-K655 WeakPolarHBondContact OD2-CD 3.46Å; D652-K655 WeakPolarHBondContact OD2-CE 3.36Å; D652-K655 WeakPolarHBondContact OD2-CG 3.4Å; D652-K655 IonicContact OD2-NZ 2.63Å; D652-K655 PolarHBondContact OD2-NZ 2.91Å; D652-E656 PolarHBondContact N-OE1 3.49Å; D652-E656 WeakPolarHBondContact O-CB 3.35Å; D652-E656 PolarHBondContact O-N 3.07Å
653	F	92.3	Very high	93.1	Very high	13 Å²	13	47.2 Å²	47.2	6%	0.057	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.3	-175.5	-64.7	-59	0	0	0	115	I465 A642 Y643 A646 I651 L658 L669	I465-F653 HydrophobicContact CG2-CD2 3.62Å; I465-F653 HydrophobicContact CG2-CE2 4.14Å; A642-F653 HydrophobicContact CB-CE1 4.41Å; A642-F653 HydrophobicContact CB-CZ 4.12Å; Y643-F653 HydrophobicContact CD1-CE2 4.22Å; Y643-F653 AromaticContact CD1-CZ 3.68Å; Y643-F653 HydrophobicContact CD1-CZ 3.68Å; Y643-F653 AromaticContact CE1-CE2 3.62Å; Y643-F653 HydrophobicContact CE1-CE2 3.62Å; Y643-F653 AromaticContact CE1-CZ 3.53Å; Y643-F653 HydrophobicContact CE1-CZ 3.53Å; Y643-F653 HydrophobicContact CE2-CE2 4.17Å; Y643-F653 HydrophobicContact CE2-CZ 4.41Å; Y643-F653 HydrophobicContact CG-CZ 4.19Å; Y643-F653 AromaticContact CZ-CE2 3.59Å; Y643-F653 AromaticContact CZ-CZ 3.92Å; A646-F653 HydrophobicContact CB-CE1 4.41Å; I651-F653 HydrophobicContact CD1-CD1 3.93Å; I651-F653 HydrophobicContact CD1-CE1 4.02Å; I651-F653 HydrophobicContact CG1-CD1 4.15Å; I651-F653 HydrophobicContact CG1-CE1 4.39Å; I651-F653 HydrophobicContact CG2-CD1 4Å; I651-F653 HydrophobicContact CG2-CE1 3.54Å; I651-F653 HydrophobicContact CG2-CE2 4.33Å; I651-F653 HydrophobicContact CG2-CZ 3.74Å; F653-L658 HydrophobicContact CD1-CD2 3.76Å; F653-L658 HydrophobicContact CE1-CD2 3.55Å; F653-L669 HydrophobicContact CB-CB 3.93Å; F653-L669 HydrophobicContact CB-CD2 3.77Å; F653-L669 HydrophobicContact CD1-CB 4.18Å; F653-L669 HydrophobicContact CD1-CD2 4.13Å; F653-L669 HydrophobicContact CD2-CD2 3.79Å; F653-L669 HydrophobicContact CE2-CD2 4.34Å; F653-L669 HydrophobicContact CG-CB 4.22Å; F653-L669 HydrophobicContact CG-CD2 3.67Å
654	E	89.5	Confident	92.6	Very high	123 Å²	123	49.6 Å²	49.6	58%	0.575	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-29	174	-64.1	-176.9	179	0	0	112.1	D652	D652-E654 PolarHBondContact O-N 3.17Å; D652-E654 VanDerWaalsContact O-N 3.08Å; D652-E654 PolarHBondContact OD1-N 3.07Å
655	K	92.7	Very high	92.4	Very high	142 Å²	142	56.3 Å²	56.3	62%	0.617	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-21.1	-171.6	-56.9	-170.2	-168.1	79.8	0	114.5	D652	D652-K655 HydrophobicContact CB-CB 4.4Å; D652-K655 PolarHBondContact O-N 2.94Å; D652-K655 PolarHBondContact OD1-N 3.44Å; D652-K655 VanDerWaalsContact OD2-CD 3.3Å; D652-K655 WeakPolarHBondContact OD2-CD 3.46Å; D652-K655 WeakPolarHBondContact OD2-CE 3.36Å; D652-K655 WeakPolarHBondContact OD2-CG 3.4Å; D652-K655 IonicContact OD2-NZ 2.63Å; D652-K655 PolarHBondContact OD2-NZ 2.91Å
656	E	95.2	Very high	92.3	Very high	65 Å²	65	60.1 Å²	60.1	30%	0.304	32%	0.316	S	S	.	.	S	Bend	trans	-119.2	135.6	-175.2	-66.9	171.6	-71.1	0	0	111.2	K469 I651 D652	K469-E656 IonicContact NZ-OE1 3.78Å; K469-E656 PolarHBondContact NZ-OE1 3.41Å; K469-E656 IonicContact NZ-OE2 2.63Å; K469-E656 PolarHBondContact NZ-OE2 3.31Å; I651-E656 HydrophobicContact CD1-CB 4.34Å; I651-E656 HydrophobicContact CG1-CB 3.95Å; D652-E656 PolarHBondContact N-OE1 3.49Å; D652-E656 WeakPolarHBondContact O-CB 3.35Å; D652-E656 PolarHBondContact O-N 3.07Å
657	P	95.9	Very high	92.3	Very high	30 Å²	30	59.9 Å²	59.9	20%	0.195	31%	0.313	C	S	.	.			trans	-72.1	150.9	176.5	30.2	-34.8	0	0	0	111.7	G659 W660 E666 V667 Y668	P657-G659 VanDerWaalsContact C-N 3.31Å; P657-W660 HydrophobicContact CG-CZ2 4.19Å; P657-E666 HydrophobicContact CB-CB 4.1Å; P657-E666 HydrophobicContact CB-CG 4.44Å; P657-E666 HydrophobicContact CG-CG 4.35Å; P657-V667 CarbonylContact C-O 3.2Å; P657-V667 WeakPolarHBondContact CA-O 3.19Å; P657-Y668 HydrophobicContact CB-CE2 4.38Å
658	L	93.9	Very high	92.2	Very high	17 Å²	17	61.6 Å²	61.6	9%	0.089	32%	0.32	C	S	.	.	S	Bend	trans	-71.2	-29	169.8	-67.9	177.2	0	0	0	112.2	L544 I645 A646 I651 F653 V667 L669 I672	L544-L658 HydrophobicContact CD1-CB 4.12Å; L544-L658 HydrophobicContact CD1-CD1 4.39Å; I645-L658 HydrophobicContact CG2-CB 4.17Å; A646-L658 HydrophobicContact CB-CD2 4.09Å; I651-L658 HydrophobicContact CD1-CD2 4.29Å; F653-L658 HydrophobicContact CD1-CD2 3.76Å; F653-L658 HydrophobicContact CE1-CD2 3.55Å; L658-V667 PolarHBondContact N-O 2.99Å; L658-L669 HydrophobicContact CD1-CB 4.29Å; L658-L669 HydrophobicContact CD1-CD1 4.07Å; L658-I672 HydrophobicContact CD1-CD1 3.36Å; L658-I672 HydrophobicContact CD1-CG1 3.95Å
659	G	91.6	Very high	92	Very high	8 Å²	8	59.9 Å²	59.9	8%	0.082	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.5	-161.3	180	0	0	0	0	0	111.6	P657 V667	P657-G659 VanDerWaalsContact C-N 3.31Å; G659-V667 PolarHBondContact O-N 2.7Å
660	W	89.9	Confident	91.8	Very high	156 Å²	156	67.6 Å²	67.6	59%	0.591	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.2	-177	-61.2	-96.2	0	0	0	110.5	P657 K665	P657-W660 HydrophobicContact CG-CZ2 4.19Å; W660-K665 CarbonylContact C-O 3.57Å; W660-K665 VanDerWaalsContact CA-O 3.26Å; W660-K665 WeakPolarHBondContact CA-O 3.44Å
661	T	88.2	Confident	91.7	Very high	27 Å²	27	70.4 Å²	70.4	17%	0.166	35%	0.348	C	S	.	.			trans	-70.9	168.4	170.9	71.3	0	0	0	0	111.2	E663 G664 K665 V667	T661-E663 PolarHBondContact O-N 3.13Å; T661-E663 VanDerWaalsContact O-N 3.1Å; T661-E663 PolarHBondContact OG1-N 3.4Å; T661-G664 PolarHBondContact O-N 3.5Å; T661-G664 PolarHBondContact OG1-N 2.84Å; T661-K665 HydrophobicContact CG2-CB 4.17Å; T661-K665 PolarHBondContact N-O 3.19Å; T661-K665 PolarHBondContact OG1-N 2.82Å; T661-V667 HydrophobicContact CG2-CG2 3.51Å
662	S	81.1	Confident	91.6	Very high	122 Å²	122	70 Å²	70	85%	0.853	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-19.7	169	48.2	0	0	0	0	114.2
663	E	85.4	Confident	91.5	Very high	174 Å²	174	70.3 Å²	70.3	81%	0.813	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	1.1	177.9	-60.2	167.6	174.6	0	0	112.4	T661	T661-E663 PolarHBondContact O-N 3.13Å; T661-E663 VanDerWaalsContact O-N 3.1Å; T661-E663 PolarHBondContact OG1-N 3.4Å
664	G	86.4	Confident	91.5	Very high	53 Å²	53	69.8 Å²	69.8	55%	0.546	34%	0.344	S	S	.	.	S	Bend	trans	81.7	8.5	179.7	0	0	0	0	0	115.2	T661	T661-G664 PolarHBondContact O-N 3.5Å; T661-G664 PolarHBondContact OG1-N 2.84Å
665	K	91.8	Very high	91.5	Very high	140 Å²	140	66.4 Å²	66.4	61%	0.609	33%	0.334	S	S	*	.			trans	-77.4	133.8	177.5	-173.4	-173.4	171.5	-171	0	110.5	W660 T661	W660-K665 CarbonylContact C-O 3.57Å; W660-K665 VanDerWaalsContact CA-O 3.26Å; W660-K665 WeakPolarHBondContact CA-O 3.44Å; T661-K665 HydrophobicContact CG2-CB 4.17Å; T661-K665 PolarHBondContact N-O 3.19Å; T661-K665 PolarHBondContact OG1-N 2.82Å
666	E	94.8	Very high	91	Very high	87 Å²	87	61.4 Å²	61.4	41%	0.407	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	138.1	171.3	-67.2	-177.4	167.6	0	0	111.8	P657 Y668	P657-E666 HydrophobicContact CB-CB 4.1Å; P657-E666 HydrophobicContact CB-CG 4.44Å; P657-E666 HydrophobicContact CG-CG 4.35Å; E666-Y668 HydrophobicContact CB-CD2 4.47Å; E666-Y668 HydrophobicContact CB-CE2 3.82Å; E666-Y668 WeakPolarHBondContact OE2-CE2 3.48Å; E666-Y668 PolarHBondContact OE2-OH 3.38Å
667	V	95.8	Very high	90.4	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.042	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	115.7	177.2	-171.4	0	0	0	0	109.4	A542 L544 P657 L658 G659 T661 D671 I672	A542-V667 HydrophobicContact CB-CG1 4.29Å; A542-V667 HydrophobicContact CB-CG2 4.3Å; L544-V667 HydrophobicContact CD1-CB 4.24Å; L544-V667 HydrophobicContact CD1-CG1 3.88Å; L544-V667 HydrophobicContact CD2-CB 4.33Å; L544-V667 HydrophobicContact CD2-CG2 4.45Å; P657-V667 CarbonylContact C-O 3.2Å; P657-V667 WeakPolarHBondContact CA-O 3.19Å; L658-V667 PolarHBondContact N-O 2.99Å; G659-V667 PolarHBondContact O-N 2.7Å; T661-V667 HydrophobicContact CG2-CG2 3.51Å; V667-D671 HydrophobicContact CG1-CB 4.23Å; V667-I672 HydrophobicContact CG1-CG2 3.66Å
668	Y	95.2	Very high	90	Very high	37 Å²	37	66 Å²	66	15%	0.145	33%	0.33	C	S	.	.			trans	-94	164	177.9	-68.7	-101	0	0	0	111.1	P657 E666 R670 D671	P657-Y668 HydrophobicContact CB-CE2 4.38Å; E666-Y668 HydrophobicContact CB-CD2 4.47Å; E666-Y668 HydrophobicContact CB-CE2 3.82Å; E666-Y668 WeakPolarHBondContact OE2-CE2 3.48Å; E666-Y668 PolarHBondContact OE2-OH 3.38Å; Y668-R670 PolarHBondContact O-N 2.65Å; Y668-D671 WeakPolarHBondContact CB-OD2 3.26Å; Y668-D671 PolarHBondContact N-OD2 3.12Å; Y668-D671 WeakPolarHBondContact O-CB 3.35Å; Y668-D671 PolarHBondContact O-N 2.83Å
669	L	93.2	Very high	89.7	Confident	3 Å²	3	65.4 Å²	65.4	2%	0.016	33%	0.327	C	S	.	.	H	α-helix	trans	-55.6	-42	176.7	-176.9	63.9	0	0	0	111.9	M535 A642 F653 L658 D671 I672 W673	M535-L669 HydrophobicContact SD-CD1 4.05Å; A642-L669 HydrophobicContact CB-CD1 3.69Å; F653-L669 HydrophobicContact CB-CB 3.93Å; F653-L669 HydrophobicContact CB-CD2 3.77Å; F653-L669 HydrophobicContact CD1-CB 4.18Å; F653-L669 HydrophobicContact CD1-CD2 4.13Å; F653-L669 HydrophobicContact CD2-CD2 3.79Å; F653-L669 HydrophobicContact CE2-CD2 4.34Å; F653-L669 HydrophobicContact CG-CB 4.22Å; F653-L669 HydrophobicContact CG-CD2 3.67Å; L658-L669 HydrophobicContact CD1-CB 4.29Å; L658-L669 HydrophobicContact CD1-CD1 4.07Å; L669-D671 PolarHBondContact O-N 2.96Å; L669-I672 WeakPolarHBondContact O-CG1 3.41Å; L669-I672 PolarHBondContact O-N 3.03Å; L669-W673 HydrophobicContact CD1-CE3 3.8Å; L669-W673 HydrophobicContact CD1-CZ3 4.22Å; L669-W673 HydrophobicContact CD2-CE3 4.23Å; L669-W673 HydrophobicContact CD2-CZ3 4.34Å; L669-W673 HydrophobicContact CG-CE3 3.99Å; L669-W673 WeakPolarHBondContact O-CB 3.37Å; L669-W673 PolarHBondContact O-N 3.43Å
670	R	91.4	Very high	89.2	Confident	163 Å²	163	66.9 Å²	66.9	62%	0.615	33%	0.332	S	S	*	.	H	α-helix	trans	-60.5	-22.9	177.4	70.7	-176.2	174.8	-143.4	-12	114.5	Y668	Y668-R670 PolarHBondContact O-N 2.65Å
671	D	91.9	Very high	88.8	Confident	79 Å²	79	65.1 Å²	65.1	42%	0.422	33%	0.33	S	S	.	.	H	α-helix	trans	-82.6	-24.7	-177.2	-54.2	-32.1	0	0	0	111.4	V667 Y668 L669	V667-D671 HydrophobicContact CG1-CB 4.23Å; Y668-D671 WeakPolarHBondContact CB-OD2 3.26Å; Y668-D671 PolarHBondContact N-OD2 3.12Å; Y668-D671 WeakPolarHBondContact O-CB 3.35Å; Y668-D671 PolarHBondContact O-N 2.83Å; L669-D671 PolarHBondContact O-N 2.96Å
672	I	93.9	Very high	88.6	Confident	3 Å²	3	65.1 Å²	65.1	2%	0.015	33%	0.33	C	S	.	.	H	α-helix	trans	-109.1	-10.1	178.5	64	161.8	0	0	0	113.7	M535 K538 A539 A542 L544 I645 L658 V667 L669	M535-I672 WeakPolarHBondContact CA-O 3.07Å; M535-I672 HydrophobicContact CG-CB 4.42Å; M535-I672 HydrophobicContact CG-CD1 3.9Å; M535-I672 HydrophobicContact CG-CG1 4.03Å; M535-I672 VanDerWaalsContact CG-O 3.31Å; M535-I672 WeakPolarHBondContact CG-O 3.34Å; M535-I672 HydrophobicContact SD-CD1 4.33Å; K538-I672 HydrophobicContact CB-CB 3.98Å; K538-I672 HydrophobicContact CB-CG2 4.23Å; K538-I672 WeakPolarHBondContact CD-O 3.46Å; A539-I672 HydrophobicContact CB-CD1 3.93Å; A542-I672 HydrophobicContact CB-CG2 4.46Å; L544-I672 HydrophobicContact CD1-CD1 4.28Å; L544-I672 HydrophobicContact CD1-CG2 4.41Å; I645-I672 HydrophobicContact CD1-CD1 4.33Å; L658-I672 HydrophobicContact CD1-CD1 3.36Å; L658-I672 HydrophobicContact CD1-CG1 3.95Å; V667-I672 HydrophobicContact CG1-CG2 3.66Å; L669-I672 WeakPolarHBondContact O-CG1 3.41Å; L669-I672 PolarHBondContact O-N 3.03Å
673	W	92.3	Very high	88.5	Confident	28 Å²	28	59.4 Å²	59.4	11%	0.106	29%	0.29	C	S	.	.	S	Bend	trans	-72.1	121	177.5	-163.3	-89.2	0	0	0	109.9	P336 L337 T339 T531 M535 P638 L639 L669	P336-W673 PolarHBondContact O-NE1 2.86Å; P336-W673 VanDerWaalsContact O-NE1 3.14Å; L337-W673 HydrophobicContact CD2-CB 4.28Å; L337-W673 HydrophobicContact CD2-CD2 3.73Å; L337-W673 HydrophobicContact CD2-CE3 4.29Å; L337-W673 HydrophobicContact CD2-CG 3.73Å; L337-W673 VanDerWaalsContact O-CZ2 3.23Å; L337-W673 WeakPolarHBondContact O-CZ2 3.45Å; T339-W673 HydrophobicContact CG2-CH2 4.37Å; T339-W673 HydrophobicContact CG2-CZ2 3.94Å; T531-W673 HydrophobicContact CG2-CZ2 4.28Å; M535-W673 HydrophobicContact SD-CE3 3.73Å; M535-W673 HydrophobicContact SD-CZ3 3.99Å; P638-W673 HydrophobicContact CB-CH2 3.78Å; P638-W673 HydrophobicContact CB-CZ2 4.48Å; P638-W673 HydrophobicContact CB-CZ3 3.89Å; P638-W673 HydrophobicContact CG-CH2 3.72Å; P638-W673 HydrophobicContact CG-CZ2 4.25Å; P638-W673 HydrophobicContact CG-CZ3 4.34Å; L639-W673 HydrophobicContact CD2-CH2 3.77Å; L639-W673 HydrophobicContact CD2-CZ3 3.83Å; L639-W673 HydrophobicContact CG-CH2 4.2Å; L669-W673 HydrophobicContact CD1-CE3 3.8Å; L669-W673 HydrophobicContact CD1-CZ3 4.22Å; L669-W673 HydrophobicContact CD2-CE3 4.23Å; L669-W673 HydrophobicContact CD2-CZ3 4.34Å; L669-W673 HydrophobicContact CG-CE3 3.99Å; L669-W673 WeakPolarHBondContact O-CB 3.37Å; L669-W673 PolarHBondContact O-N 3.43Å
674	P	91.7	Very high	88	Confident	2 Å²	2	51.9 Å²	51.9	1%	0.013	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-70.3	148.5	180	31.4	-36.3	0	0	0	110.7	T531 L534 E678 V679	T531-P674 HydrophobicContact CG2-CG 3.82Å; L534-P674 HydrophobicContact CB-CB 3.92Å; L534-P674 HydrophobicContact CB-CG 3.98Å; L534-P674 HydrophobicContact CD1-CB 4.41Å; P674-E678 VanDerWaalsContact CA-OE2 3.3Å; P674-E678 WeakPolarHBondContact CA-OE2 3.31Å; P674-E678 VanDerWaalsContact CB-OE2 3.31Å; P674-E678 WeakPolarHBondContact CB-OE2 3.3Å; P674-V679 HydrophobicContact CB-CG2 3.98Å; P674-V679 HydrophobicContact CG-CG2 3.84Å
675	S	88.4	Confident	87.4	Confident	52 Å²	52	52.8 Å²	52.8	36%	0.364	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-72.1	158.7	176.2	97.5	0	0	0	0	110.8	E677 E678 V679	S675-E677 WeakPolarHBondContact CB-OE2 3.35Å; S675-E677 PolarHBondContact O-N 2.78Å; S675-E677 PolarHBondContact OG-N 2.86Å; S675-E677 PolarHBondContact OG-OE2 3.22Å; S675-E678 PolarHBondContact N-OE2 2.9Å; S675-E678 PolarHBondContact O-N 3.04Å; S675-E678 PolarHBondContact OG-N 3Å; S675-E678 VanDerWaalsContact OG-N 3.15Å; S675-V679 WeakPolarHBondContact O-CG2 3.48Å; S675-V679 PolarHBondContact O-N 2.89Å
676	R	82.4	Confident	86.4	Confident	37 Å²	37	48.9 Å²	48.9	14%	0.14	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-35.1	176.4	-83.7	-177.5	61.4	88.4	0.2	111.2	Q370 D375 V679 Q680	Q370-R676 PolarHBondContact O-NH2 3.35Å; D375-R676 IonicContact OD2-CZ 2.86Å; D375-R676 IonicContact OD2-NH1 2.78Å; D375-R676 IonicContact OD2-NH2 3.02Å; D375-R676 PolarHBondContact OD2-NH2 2.99Å; R676-V679 PolarHBondContact O-N 2.67Å; R676-Q680 VanDerWaalsContact O-CB 3.27Å; R676-Q680 WeakPolarHBondContact O-CB 3.47Å; R676-Q680 WeakPolarHBondContact O-CG 3.44Å; R676-Q680 PolarHBondContact O-N 2.99Å
677	E	83.5	Confident	85.2	Confident	127 Å²	127	44.8 Å²	44.8	59%	0.593	22%	0.216	S	C	*	.	H	α-helix	trans	-66.8	-43.2	178.2	-54	67.8	-144.4	0	0	110.9	S675 Q680 Q681	S675-E677 WeakPolarHBondContact CB-OE2 3.35Å; S675-E677 PolarHBondContact O-N 2.78Å; S675-E677 PolarHBondContact OG-N 2.86Å; S675-E677 PolarHBondContact OG-OE2 3.22Å; E677-Q680 PolarHBondContact O-N 3.5Å; E677-Q681 VanDerWaalsContact O-CB 3.23Å; E677-Q681 WeakPolarHBondContact O-CB 3.11Å; E677-Q681 PolarHBondContact O-N 3.38Å
678	E	87.8	Confident	84	Confident	63 Å²	63	45 Å²	45	29%	0.294	22%	0.217	S	C	.	.	H	α-helix	trans	-62.4	-42.9	175.2	-176.9	179.5	-159.3	0	0	111.8	L534 K538 P674 S675 T682	L534-E678 HydrophobicContact CD1-CG 4.42Å; K538-E678 VanDerWaalsContact CE-CD 3.42Å; K538-E678 WeakPolarHBondContact CE-OE1 3.5Å; K538-E678 WeakPolarHBondContact CE-OE2 3.44Å; K538-E678 IonicContact NZ-OE1 3.37Å; K538-E678 PolarHBondContact NZ-OE1 3.17Å; K538-E678 IonicContact NZ-OE2 2.74Å; K538-E678 PolarHBondContact NZ-OE2 2.78Å; P674-E678 VanDerWaalsContact CA-OE2 3.3Å; P674-E678 WeakPolarHBondContact CA-OE2 3.31Å; P674-E678 VanDerWaalsContact CB-OE2 3.31Å; P674-E678 WeakPolarHBondContact CB-OE2 3.3Å; S675-E678 PolarHBondContact N-OE2 2.9Å; S675-E678 PolarHBondContact O-N 3.04Å; S675-E678 PolarHBondContact OG-N 3Å; S675-E678 VanDerWaalsContact OG-N 3.15Å; E678-T682 WeakPolarHBondContact O-CB 3.45Å; E678-T682 PolarHBondContact O-N 3.09Å; E678-T682 PolarHBondContact O-OG1 3.38Å
679	V	86.9	Confident	82.8	Confident	6 Å²	6	44.2 Å²	44.2	4%	0.036	22%	0.217	C	C	.	.	H	α-helix	trans	-64.8	-51.6	175.3	175.7	0	0	0	0	110.7	S527 L530 L534 P674 S675 R676 Q681 T682 E683	S527-V679 WeakPolarHBondContact O-CG1 3.43Å; L530-V679 HydrophobicContact CB-CG1 4.32Å; L534-V679 HydrophobicContact CD1-CG2 4.03Å; P674-V679 HydrophobicContact CB-CG2 3.98Å; P674-V679 HydrophobicContact CG-CG2 3.84Å; S675-V679 WeakPolarHBondContact O-CG2 3.48Å; S675-V679 PolarHBondContact O-N 2.89Å; R676-V679 PolarHBondContact O-N 2.67Å; V679-Q681 VanDerWaalsContact C-N 3.35Å; V679-Q681 PolarHBondContact O-N 3.34Å; V679-T682 PolarHBondContact O-N 3.08Å; V679-E683 VanDerWaalsContact O-CB 3.28Å; V679-E683 WeakPolarHBondContact O-CB 3.39Å; V679-E683 PolarHBondContact O-N 2.91Å
680	Q	80.3	Confident	81.6	Confident	39 Å²	39	45.7 Å²	45.7	18%	0.182	23%	0.229	C	C	.	.	H	α-helix	trans	-61.8	-40.4	-179.5	-76.4	176.1	2.5	0	0	112.1	R676 E677 E683 E684	R676-Q680 VanDerWaalsContact O-CB 3.27Å; R676-Q680 WeakPolarHBondContact O-CB 3.47Å; R676-Q680 WeakPolarHBondContact O-CG 3.44Å; R676-Q680 PolarHBondContact O-N 2.99Å; E677-Q680 PolarHBondContact O-N 3.5Å; Q680-E683 PolarHBondContact O-N 2.85Å; Q680-E684 VanDerWaalsContact O-CB 3.26Å; Q680-E684 WeakPolarHBondContact O-CB 3.25Å; Q680-E684 VanDerWaalsContact O-CG 3.32Å; Q680-E684 WeakPolarHBondContact O-CG 3.26Å; Q680-E684 PolarHBondContact O-N 3.46Å
681	Q	82.7	Confident	80.5	Confident	119 Å²	119	38.1 Å²	38.1	56%	0.556	20%	0.201	S	C	*	.	H	α-helix	trans	-65.7	-46.2	176.8	-173.2	174.3	5	0	0	111.1	E677 V679 E683 E684 D685	E677-Q681 VanDerWaalsContact O-CB 3.23Å; E677-Q681 WeakPolarHBondContact O-CB 3.11Å; E677-Q681 PolarHBondContact O-N 3.38Å; V679-Q681 VanDerWaalsContact C-N 3.35Å; V679-Q681 PolarHBondContact O-N 3.34Å; Q681-E683 VanDerWaalsContact C-N 3.32Å; Q681-E683 PolarHBondContact O-N 3.03Å; Q681-E684 PolarHBondContact O-N 3.43Å; Q681-D685 WeakPolarHBondContact CG-OD2 3.32Å; Q681-D685 PolarHBondContact NE2-OD2 3.09Å; Q681-D685 VanDerWaalsContact NE2-OD2 3.16Å; Q681-D685 VanDerWaalsContact O-CB 3.27Å; Q681-D685 WeakPolarHBondContact O-CB 3.4Å; Q681-D685 PolarHBondContact O-N 2.82Å
682	T	83.8	Confident	79.5	Confident	27 Å²	27	34.8 Å²	34.8	17%	0.166	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-42.4	176.7	-55.6	0	0	0	0	111.5	L530 L534 E678 V679 T686 V687	L530-T682 HydrophobicContact CD2-CG2 4.37Å; L534-T682 HydrophobicContact CD1-CG2 4.42Å; E678-T682 WeakPolarHBondContact O-CB 3.45Å; E678-T682 PolarHBondContact O-N 3.09Å; E678-T682 PolarHBondContact O-OG1 3.38Å; V679-T682 PolarHBondContact O-N 3.08Å; T682-T686 WeakPolarHBondContact O-CB 3.48Å; T682-T686 PolarHBondContact O-N 3.42Å; T682-T686 VanDerWaalsContact O-N 3.13Å; T682-V687 PolarHBondContact O-N 3.22Å
683	E	80	Confident	78.4	Confident	2 Å²	2	40.9 Å²	40.9	1%	0.009	21%	0.209	C	C	.	.	I	π-helix	trans	-62.9	-50.7	177	-175.1	170.5	-155.1	0	0	111.5	P374 P526 S527 L530 V679 Q680 Q681 V687 I688	P374-E683 WeakPolarHBondContact CG-OE1 3.08Å; P526-E683 HydrophobicContact CB-CG 4.41Å; P526-E683 WeakPolarHBondContact CB-OE1 3.49Å; S527-E683 WeakPolarHBondContact CB-OE2 3.05Å; S527-E683 PolarHBondContact N-OE1 3.43Å; S527-E683 VanDerWaalsContact N-OE1 3.12Å; S527-E683 PolarHBondContact OG-OE1 3.07Å; S527-E683 VanDerWaalsContact OG-OE1 3.04Å; S527-E683 PolarHBondContact OG-OE2 3.18Å; L530-E683 HydrophobicContact CD1-CB 3.61Å; L530-E683 HydrophobicContact CD1-CG 3.97Å; V679-E683 VanDerWaalsContact O-CB 3.28Å; V679-E683 WeakPolarHBondContact O-CB 3.39Å; V679-E683 PolarHBondContact O-N 2.91Å; Q680-E683 PolarHBondContact O-N 2.85Å; Q681-E683 VanDerWaalsContact C-N 3.32Å; Q681-E683 PolarHBondContact O-N 3.03Å; E683-V687 CarbonylContact O-C 3.5Å; E683-V687 WeakPolarHBondContact O-CB 3.39Å; E683-V687 PolarHBondContact O-N 3.32Å; E683-I688 HydrophobicContact CG-CD1 4.01Å; E683-I688 HydrophobicContact CG-CG1 4.25Å; E683-I688 WeakPolarHBondContact O-CB 3.37Å; E683-I688 WeakPolarHBondContact O-CG1 3.18Å; E683-I688 PolarHBondContact O-N 3.08Å
684	E	74.1	Confident	77.4	Confident	15 Å²	15	40.9 Å²	40.9	7%	0.07	21%	0.211	C	C	.	.	I	π-helix	trans	-68.8	-49.7	-178.7	-77.7	-178.6	-173.2	0	0	113.6	K401 K405 Q680 Q681 I688	K401-E684 WeakPolarHBondContact CE-OE2 3.45Å; K401-E684 IonicContact NZ-OE1 3.84Å; K401-E684 PolarHBondContact NZ-OE1 3.17Å; K401-E684 IonicContact NZ-OE2 2.62Å; K401-E684 PolarHBondContact NZ-OE2 3.13Å; K405-E684 HydrophobicContact CD-CB 3.67Å; K405-E684 HydrophobicContact CD-CG 4.29Å; K405-E684 WeakPolarHBondContact CE-OE2 3.31Å; K405-E684 IonicContact NZ-OE2 3.87Å; K405-E684 PolarHBondContact NZ-OE2 3.36Å; Q680-E684 VanDerWaalsContact O-CB 3.26Å; Q680-E684 WeakPolarHBondContact O-CB 3.25Å; Q680-E684 VanDerWaalsContact O-CG 3.32Å; Q680-E684 WeakPolarHBondContact O-CG 3.26Å; Q680-E684 PolarHBondContact O-N 3.46Å; Q681-E684 PolarHBondContact O-N 3.43Å; E684-I688 HydrophobicContact CG-CD1 4.49Å
685	D	73.8	Confident	76.3	Confident	73 Å²	73	41 Å²	41	39%	0.39	21%	0.212	S	C	.	.	I	π-helix	trans	-76.8	-40.8	-171.2	-68.8	-15	0	0	0	112	K405 Q681 S689	K405-D685 WeakPolarHBondContact CE-OD1 3.25Å; K405-D685 IonicContact NZ-OD1 3.89Å; K405-D685 PolarHBondContact NZ-OD1 2.8Å; Q681-D685 WeakPolarHBondContact CG-OD2 3.32Å; Q681-D685 PolarHBondContact NE2-OD2 3.09Å; Q681-D685 VanDerWaalsContact NE2-OD2 3.16Å; Q681-D685 VanDerWaalsContact O-CB 3.27Å; Q681-D685 WeakPolarHBondContact O-CB 3.4Å; Q681-D685 PolarHBondContact O-N 2.82Å; D685-S689 WeakPolarHBondContact O-CB 3.38Å
686	T	71.1	Confident	75.3	Confident	58 Å²	58	43.4 Å²	43.4	36%	0.356	21%	0.213	S	C	.	.	I	π-helix	trans	-102.9	-46.5	-171.2	-49.6	0	0	0	0	112.2	A567 T682 A690	A567-T686 WeakPolarHBondContact O-CG2 3.18Å; T682-T686 WeakPolarHBondContact O-CB 3.48Å; T682-T686 PolarHBondContact O-N 3.42Å; T682-T686 VanDerWaalsContact O-N 3.13Å; T686-A690 WeakPolarHBondContact O-CB 3.08Å; T686-A690 PolarHBondContact O-N 3.32Å
687	V	69.5	Low	74.9	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.006	23%	0.233	C	C	.	.	I	π-helix	trans	-83.1	-58.4	-172.1	169.6	0	0	0	0	112.1	P526 L530 Y564 T682 E683 S689 A690 I691	P526-V687 HydrophobicContact CB-CG1 4.45Å; L530-V687 HydrophobicContact CD1-CB 4.39Å; L530-V687 HydrophobicContact CD1-CG2 3.86Å; L530-V687 HydrophobicContact CD2-CG2 3.95Å; L530-V687 HydrophobicContact CG-CG2 4.47Å; Y564-V687 VanDerWaalsContact CB-CG1 3.4Å; Y564-V687 HydrophobicContact CD1-CG1 4.24Å; Y564-V687 HydrophobicContact CD2-CG1 4.48Å; Y564-V687 HydrophobicContact CG-CG1 3.86Å; Y564-V687 HydrophobicContact CG-CG2 4.45Å; T682-V687 PolarHBondContact O-N 3.22Å; E683-V687 CarbonylContact O-C 3.5Å; E683-V687 WeakPolarHBondContact O-CB 3.39Å; E683-V687 PolarHBondContact O-N 3.32Å; V687-S689 PolarHBondContact O-N 3.16Å; V687-A690 PolarHBondContact O-N 2.96Å; V687-I691 HydrophobicContact CG1-CD1 3.59Å; V687-I691 HydrophobicContact CG1-CG1 4.33Å; V687-I691 WeakPolarHBondContact O-CB 3.29Å; V687-I691 VanDerWaalsContact O-CG1 3.3Å; V687-I691 WeakPolarHBondContact O-CG1 3.42Å; V687-I691 PolarHBondContact O-N 3.39Å
688	I	69.3	Low	74.3	Confident	12 Å²	12	45.9 Å²	45.9	6%	0.062	22%	0.217	C	C	.	.	I	π-helix	trans	-60.4	-49.1	-177.5	-73	176.4	0	0	0	109.9	P374 T406 E683 E684 A690 I691 F692	P374-I688 HydrophobicContact CG-CD1 4.22Å; T406-I688 HydrophobicContact CG2-CG2 3.31Å; E683-I688 HydrophobicContact CG-CD1 4.01Å; E683-I688 HydrophobicContact CG-CG1 4.25Å; E683-I688 WeakPolarHBondContact O-CB 3.37Å; E683-I688 WeakPolarHBondContact O-CG1 3.18Å; E683-I688 PolarHBondContact O-N 3.08Å; E684-I688 HydrophobicContact CG-CD1 4.49Å; I688-A690 VanDerWaalsContact C-N 3.32Å; I688-A690 PolarHBondContact O-N 3.49Å; I688-I691 PolarHBondContact O-N 2.93Å; I688-F692 HydrophobicContact CG2-CD2 3.95Å; I688-F692 HydrophobicContact CG2-CE2 3.75Å; I688-F692 HydrophobicContact CG2-CZ 4.45Å; I688-F692 WeakPolarHBondContact O-CD2 3.36Å; I688-F692 PolarHBondContact O-N 2.86Å
689	S	70.4	Confident	73.4	Confident	20 Å²	20	44.5 Å²	44.5	14%	0.14	21%	0.211	C	C	.	.	H	α-helix	trans	-61.2	-37.8	178.7	-154.7	0	0	0	0	113	K405 D685 V687 K693	K405-S689 PolarHBondContact O-OG 3.38Å; D685-S689 WeakPolarHBondContact O-CB 3.38Å; V687-S689 PolarHBondContact O-N 3.16Å; S689-K693 WeakPolarHBondContact O-CB 3.44Å; S689-K693 VanDerWaalsContact O-CD 3.26Å; S689-K693 WeakPolarHBondContact O-CD 3.28Å; S689-K693 WeakPolarHBondContact O-CG 3.4Å; S689-K693 PolarHBondContact O-N 3.01Å; S689-K693 PolarHBondContact OG-NZ 3.49Å
690	A	68.7	Low	72.6	Confident	33 Å²	33	51.1 Å²	51.1	27%	0.273	24%	0.242	S	C	.	.	H	α-helix	trans	-71.6	-44.5	177.2	0	0	0	0	0	112.7	T686 V687 I688 F692 K693 D694	T686-A690 WeakPolarHBondContact O-CB 3.08Å; T686-A690 PolarHBondContact O-N 3.32Å; V687-A690 PolarHBondContact O-N 2.96Å; I688-A690 VanDerWaalsContact C-N 3.32Å; I688-A690 PolarHBondContact O-N 3.49Å; A690-F692 PolarHBondContact O-N 2.81Å; A690-K693 PolarHBondContact O-N 2.93Å; A690-D694 WeakPolarHBondContact O-CB 3.37Å; A690-D694 PolarHBondContact O-N 3.4Å
691	I	68.9	Low	72.1	Confident	5 Å²	5	56.9 Å²	56.9	3%	0.026	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-49.3	177.8	-72.1	175.6	0	0	0	110.2	E266 M560 Y564 V687 I688 K693 D694 L695	E266-I691 VanDerWaalsContact OE2-CG2 3.3Å; E266-I691 WeakPolarHBondContact OE2-CG2 3Å; M560-I691 HydrophobicContact CE-CB 4.29Å; M560-I691 HydrophobicContact CE-CD1 4.07Å; M560-I691 HydrophobicContact CE-CG1 3.74Å; M560-I691 HydrophobicContact CE-CG2 3.78Å; Y564-I691 HydrophobicContact CD1-CD1 4.26Å; V687-I691 HydrophobicContact CG1-CD1 3.59Å; V687-I691 HydrophobicContact CG1-CG1 4.33Å; V687-I691 WeakPolarHBondContact O-CB 3.29Å; V687-I691 VanDerWaalsContact O-CG1 3.3Å; V687-I691 WeakPolarHBondContact O-CG1 3.42Å; V687-I691 PolarHBondContact O-N 3.39Å; I688-I691 PolarHBondContact O-N 2.93Å; I691-K693 PolarHBondContact O-N 3.01Å; I691-D694 PolarHBondContact O-N 3.02Å; I691-L695 VanDerWaalsContact O-CB 3.24Å; I691-L695 WeakPolarHBondContact O-CB 3.23Å; I691-L695 PolarHBondContact O-N 3.38Å
692	F	69.5	Low	71.1	Confident	9 Å²	9	52 Å²	52	4%	0.039	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-38.3	-178.2	-80.5	-119	0	0	0	112.2	E266 T406 N407 I688 A690 R696	E266-F692 VanDerWaalsContact CA-CZ 3.42Å; E266-F692 HydrophobicContact CB-CD1 4.09Å; E266-F692 HydrophobicContact CB-CD2 4.21Å; E266-F692 HydrophobicContact CB-CE1 3.62Å; E266-F692 HydrophobicContact CB-CE2 3.74Å; E266-F692 HydrophobicContact CB-CG 4.41Å; E266-F692 HydrophobicContact CB-CZ 3.46Å; E266-F692 VanDerWaalsContact CB-CZ 3.46Å; E266-F692 HydrophobicContact CG-CD2 4.19Å; E266-F692 HydrophobicContact CG-CE1 4.15Å; E266-F692 HydrophobicContact CG-CE2 3.43Å; E266-F692 VanDerWaalsContact CG-CE2 3.43Å; E266-F692 HydrophobicContact CG-CZ 3.44Å; E266-F692 VanDerWaalsContact CG-CZ 3.44Å; E266-F692 WeakPolarHBondContact O-CD1 3.15Å; E266-F692 WeakPolarHBondContact O-CE1 3.41Å; T406-F692 HydrophobicContact CG2-CD1 3.68Å; T406-F692 HydrophobicContact CG2-CD2 3.98Å; T406-F692 HydrophobicContact CG2-CE1 3.29Å; T406-F692 HydrophobicContact CG2-CE2 3.64Å; T406-F692 HydrophobicContact CG2-CG 3.98Å; T406-F692 HydrophobicContact CG2-CZ 3.24Å; N407-F692 HydrophobicContact CB-CD1 4.49Å; I688-F692 HydrophobicContact CG2-CD2 3.95Å; I688-F692 HydrophobicContact CG2-CE2 3.75Å; I688-F692 HydrophobicContact CG2-CZ 4.45Å; I688-F692 WeakPolarHBondContact O-CD2 3.36Å; I688-F692 PolarHBondContact O-N 2.86Å; A690-F692 PolarHBondContact O-N 2.81Å; F692-R696 VanDerWaalsContact O-CB 3.22Å; F692-R696 WeakPolarHBondContact O-CB 3.5Å; F692-R696 PolarHBondContact O-N 3.47Å
693	K	71.8	Confident	70.2	Confident	130 Å²	130	51.9 Å²	51.9	57%	0.565	25%	0.246	S	C	*	.	H	α-helix	trans	-65.2	-39.9	174.1	-75.4	167	-176.7	149.7	0	112.1	S689 A690 I691 R697	S689-K693 WeakPolarHBondContact O-CB 3.44Å; S689-K693 VanDerWaalsContact O-CD 3.26Å; S689-K693 WeakPolarHBondContact O-CD 3.28Å; S689-K693 WeakPolarHBondContact O-CG 3.4Å; S689-K693 PolarHBondContact O-N 3.01Å; S689-K693 PolarHBondContact OG-NZ 3.49Å; A690-K693 PolarHBondContact O-N 2.93Å; I691-K693 PolarHBondContact O-N 3.01Å; K693-R697 VanDerWaalsContact O-CB 3.3Å; K693-R697 WeakPolarHBondContact O-CB 3.25Å; K693-R697 PolarHBondContact O-N 3.02Å
694	D	70.8	Confident	69.8	Low	29 Å²	29	56.3 Å²	56.3	16%	0.155	27%	0.273	C	S	.	.	H	α-helix	trans	-74	-41.9	178.3	-174.4	71.5	0	0	0	112.7	A690 I691 R696 R697 R698	A690-D694 WeakPolarHBondContact O-CB 3.37Å; A690-D694 PolarHBondContact O-N 3.4Å; I691-D694 PolarHBondContact O-N 3.02Å; D694-R696 VanDerWaalsContact C-N 3.35Å; D694-R696 PolarHBondContact O-N 3.17Å; D694-R697 WeakPolarHBondContact O-CB 3.49Å; D694-R697 PolarHBondContact O-N 3.35Å; D694-R697 IonicContact OD1-NH1 2.64Å; D694-R697 PolarHBondContact OD1-NH1 3.24Å; D694-R698 WeakPolarHBondContact O-CB 3.49Å; D694-R698 PolarHBondContact O-N 3.38Å; D694-R698 IonicContact OD2-CZ 3.26Å; D694-R698 VanDerWaalsContact OD2-CZ 3.26Å; D694-R698 IonicContact OD2-NE 3.04Å; D694-R698 PolarHBondContact OD2-NE 2.91Å; D694-R698 IonicContact OD2-NH2 2.95Å; D694-R698 PolarHBondContact OD2-NH2 3.08Å
695	L	67.7	Low	69.6	Low	5 Å²	5	58.6 Å²	58.6	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-57.6	-48.4	173.2	-175.5	71.1	0	0	0	110.5	V257 V263 E266 I691 R698 L699	V257-L695 HydrophobicContact CG1-CD1 3.54Å; V257-L695 WeakPolarHBondContact O-CD1 3.47Å; V263-L695 HydrophobicContact CG2-CD1 4.38Å; E266-L695 HydrophobicContact CB-CD2 3.8Å; I691-L695 VanDerWaalsContact O-CB 3.24Å; I691-L695 WeakPolarHBondContact O-CB 3.23Å; I691-L695 PolarHBondContact O-N 3.38Å; L695-R698 PolarHBondContact O-N 2.77Å; L695-L699 HydrophobicContact CG-CD1 4.19Å; L695-L699 WeakPolarHBondContact O-CG 3.43Å; L695-L699 PolarHBondContact O-N 3.47Å
696	R	69.2	Low	69.8	Low	101 Å²	101	56 Å²	56	38%	0.381	27%	0.268	S	S	.	.	H	α-helix	trans	-60.1	-47	174.8	-170.4	-173.3	-61.9	-164.4	-1.3	111.3	N407 F692 D694 R698 L699 E700	N407-R696 VanDerWaalsContact CB-NH2 3.32Å; F692-R696 VanDerWaalsContact O-CB 3.22Å; F692-R696 WeakPolarHBondContact O-CB 3.5Å; F692-R696 PolarHBondContact O-N 3.47Å; D694-R696 VanDerWaalsContact C-N 3.35Å; D694-R696 PolarHBondContact O-N 3.17Å; R696-R698 VanDerWaalsContact C-N 3.3Å; R696-R698 PolarHBondContact O-N 3.33Å; R696-L699 WeakPolarHBondContact O-CB 3.25Å; R696-L699 PolarHBondContact O-N 3.3Å; R696-L699 VanDerWaalsContact O-N 3.16Å; R696-E700 VanDerWaalsContact CD-OE1 3.25Å; R696-E700 WeakPolarHBondContact CD-OE1 3.21Å; R696-E700 HydrophobicContact CG-CG 4.22Å; R696-E700 VanDerWaalsContact CG-OE1 3.26Å; R696-E700 WeakPolarHBondContact CG-OE1 3.14Å; R696-E700 WeakPolarHBondContact O-CB 3.42Å; R696-E700 WeakPolarHBondContact O-CG 3.39Å; R696-E700 PolarHBondContact O-N 3.08Å
697	R	73.4	Confident	70.2	Confident	148 Å²	148	57.7 Å²	57.7	56%	0.558	28%	0.275	S	S	*	.	H	α-helix	trans	-59.2	-39	176.1	-173.6	-165	-63.2	146.6	-6	112.2	K693 D694 K701	K693-R697 VanDerWaalsContact O-CB 3.3Å; K693-R697 WeakPolarHBondContact O-CB 3.25Å; K693-R697 PolarHBondContact O-N 3.02Å; D694-R697 WeakPolarHBondContact O-CB 3.49Å; D694-R697 PolarHBondContact O-N 3.35Å; D694-R697 IonicContact OD1-NH1 2.64Å; D694-R697 PolarHBondContact OD1-NH1 3.24Å; R697-K701 WeakPolarHBondContact O-CB 3.49Å; R697-K701 PolarHBondContact O-N 3.28Å
698	R	70.4	Confident	70.8	Confident	68 Å²	68	65.4 Å²	65.4	26%	0.257	31%	0.309	S	S	.	.	H	α-helix	trans	-68	-38.3	176.3	-81.1	-170.9	-86.4	137.8	1.4	112.1	D256 V257 D694 L695 R696 G702	D256-R698 PolarHBondContact O-NH1 3.15Å; V257-R698 PolarHBondContact O-NH1 3.49Å; D694-R698 WeakPolarHBondContact O-CB 3.49Å; D694-R698 PolarHBondContact O-N 3.38Å; D694-R698 IonicContact OD2-CZ 3.26Å; D694-R698 VanDerWaalsContact OD2-CZ 3.26Å; D694-R698 IonicContact OD2-NE 3.04Å; D694-R698 PolarHBondContact OD2-NE 2.91Å; D694-R698 IonicContact OD2-NH2 2.95Å; D694-R698 PolarHBondContact OD2-NH2 3.08Å; L695-R698 PolarHBondContact O-N 2.77Å; R696-R698 VanDerWaalsContact C-N 3.3Å; R696-R698 PolarHBondContact O-N 3.33Å; R698-G702 WeakPolarHBondContact O-CA 3.5Å; R698-G702 PolarHBondContact O-N 3.07Å
699	L	69.3	Low	71.4	Confident	34 Å²	34	65.4 Å²	65.4	18%	0.178	31%	0.309	C	S	.	.	H	α-helix	trans	-66.4	-49.1	172.9	-76.5	160.9	0	0	0	112.1	V253 V257 Y267 L695 R696 G702	V253-L699 HydrophobicContact CG1-CD2 4.29Å; V257-L699 HydrophobicContact CG1-CD1 4.26Å; V257-L699 HydrophobicContact CG1-CD2 3.85Å; V257-L699 HydrophobicContact CG1-CG 3.87Å; V257-L699 HydrophobicContact CG2-CD2 4.17Å; Y267-L699 HydrophobicContact CD1-CD1 3.67Å; Y267-L699 HydrophobicContact CD2-CD1 3.62Å; Y267-L699 HydrophobicContact CE1-CD1 3.76Å; Y267-L699 HydrophobicContact CE2-CD1 3.72Å; Y267-L699 HydrophobicContact CG-CD1 3.6Å; L695-L699 HydrophobicContact CG-CD1 4.19Å; L695-L699 WeakPolarHBondContact O-CG 3.43Å; L695-L699 PolarHBondContact O-N 3.47Å; R696-L699 WeakPolarHBondContact O-CB 3.25Å; R696-L699 PolarHBondContact O-N 3.3Å; R696-L699 VanDerWaalsContact O-N 3.16Å; L699-G702 PolarHBondContact O-N 3.03Å
700	E	70.6	Confident	71.9	Confident	145 Å²	145	72.6 Å²	72.6	68%	0.678	34%	0.34	S	S	*	.	H	α-helix	trans	-63.1	-46.1	179	-73.7	170	178.7	0	0	112.7	R696 G702	R696-E700 VanDerWaalsContact CD-OE1 3.25Å; R696-E700 WeakPolarHBondContact CD-OE1 3.21Å; R696-E700 HydrophobicContact CG-CG 4.22Å; R696-E700 VanDerWaalsContact CG-OE1 3.26Å; R696-E700 WeakPolarHBondContact CG-OE1 3.14Å; R696-E700 WeakPolarHBondContact O-CB 3.42Å; R696-E700 WeakPolarHBondContact O-CG 3.39Å; R696-E700 PolarHBondContact O-N 3.08Å; E700-G702 PolarHBondContact O-N 3.13Å
701	K	69.5	Low	72.5	Confident	161 Å²	161	72 Å²	72	70%	0.7	33%	0.333	S	S	*	.	H	α-helix	trans	-67.6	-28.5	175.8	-173.1	177.4	-179.8	-178.2	0	111.8	R697	R697-K701 WeakPolarHBondContact O-CB 3.49Å; R697-K701 PolarHBondContact O-N 3.28Å
702	G	60.6	Low	73	Confident	17 Å²	17	74.6 Å²	74.6	18%	0.175	35%	0.35	C	S	.	.			trans	67.9	159.9	-174.5	0	0	0	0	0	113.6	R698 L699 E700 T704	R698-G702 WeakPolarHBondContact O-CA 3.5Å; R698-G702 PolarHBondContact O-N 3.07Å; L699-G702 PolarHBondContact O-N 3.03Å; E700-G702 PolarHBondContact O-N 3.13Å; G702-T704 PolarHBondContact O-N 2.94Å
703	N	66.6	Low	73.8	Confident	23 Å²	23	80.6 Å²	80.6	12%	0.123	38%	0.383	C	S	.	.			trans	-74	123.5	171.6	-179.5	-37.4	0	0	0	109.2	P254 P255 F705 W706 N707	P254-N703 HydrophobicContact CB-CB 4.35Å; P254-N703 HydrophobicContact CG-CB 4.34Å; P255-N703 PolarHBondContact O-ND2 3.13Å; N703-F705 PolarHBondContact O-N 3.16Å; N703-F705 WeakPolarHBondContact OD1-CB 3.29Å; N703-F705 PolarHBondContact OD1-N 3.43Å; N703-W706 HydrophobicContact CB-CB 3.83Å; N703-W706 WeakPolarHBondContact O-CB 2.9Å; N703-W706 PolarHBondContact O-N 3.44Å; N703-W706 PolarHBondContact OD1-N 2.89Å; N703-N707 PolarHBondContact O-N 3.41Å
704	T	70	Confident	74.8	Confident	95 Å²	95	76.3 Å²	76.3	58%	0.583	37%	0.37	S	S	*	.	H	α-helix	trans	-62.5	-25.8	-176.2	64.4	0	0	0	0	113.8	G702 K708	G702-T704 PolarHBondContact O-N 2.94Å; T704-K708 WeakPolarHBondContact O-CD 3.27Å; T704-K708 WeakPolarHBondContact O-CG 3.4Å; T704-K708 PolarHBondContact O-N 3.31Å
705	F	70.4	Confident	75.7	Confident	63 Å²	63	77.3 Å²	77.3	28%	0.276	38%	0.376	S	S	.	.	H	α-helix	trans	-71.4	-51.6	169.5	179.1	-90.3	0	0	0	110.4	L230 L237 N703 N707 K708 I709	L230-F705 HydrophobicContact CB-CE1 4.26Å; L230-F705 HydrophobicContact CB-CE2 4.16Å; L230-F705 HydrophobicContact CB-CZ 4.01Å; L230-F705 HydrophobicContact CD1-CB 4.01Å; L230-F705 HydrophobicContact CD1-CD1 4.07Å; L230-F705 HydrophobicContact CD1-CD2 3.85Å; L230-F705 HydrophobicContact CD1-CE2 4.3Å; L230-F705 HydrophobicContact CD1-CG 3.71Å; L230-F705 HydrophobicContact CD2-CD1 3.56Å; L230-F705 HydrophobicContact CD2-CE1 3.68Å; L230-F705 HydrophobicContact CD2-CG 4.1Å; L230-F705 HydrophobicContact CD2-CZ 4.3Å; L230-F705 HydrophobicContact CG-CD1 4.27Å; L230-F705 HydrophobicContact CG-CE1 4.35Å; L230-F705 HydrophobicContact CG-CG 4.39Å; L237-F705 HydrophobicContact CD1-CE1 4.01Å; N703-F705 PolarHBondContact O-N 3.16Å; N703-F705 WeakPolarHBondContact OD1-CB 3.29Å; N703-F705 PolarHBondContact OD1-N 3.43Å; F705-N707 PolarHBondContact O-N 3.17Å; F705-N707 VanDerWaalsContact O-N 3.15Å; F705-K708 CarbonylContact O-C 3.57Å; F705-K708 WeakPolarHBondContact O-CA 3.22Å; F705-K708 WeakPolarHBondContact O-CB 3.46Å; F705-K708 PolarHBondContact O-N 2.81Å; F705-I709 HydrophobicContact CD1-CD1 3.95Å; F705-I709 HydrophobicContact CD1-CG1 3.99Å; F705-I709 HydrophobicContact CE1-CD1 3.64Å; F705-I709 HydrophobicContact CE1-CG1 3.76Å; F705-I709 HydrophobicContact CZ-CG1 4.44Å; F705-I709 WeakPolarHBondContact O-CG1 3.49Å; F705-I709 PolarHBondContact O-N 3.03Å; F705-I709 VanDerWaalsContact O-N 3.08Å
706	W	77.5	Confident	76.9	Confident	18 Å²	18	79.6 Å²	79.6	7%	0.068	39%	0.391	C	S	.	.	H	α-helix	trans	-54.9	-33.7	178.5	-177.6	-110.8	0	0	0	113.4	L237 F240 K241 V252 P254 N703 I709	L237-W706 HydrophobicContact CB-CZ3 4.45Å; L237-W706 HydrophobicContact CD2-CZ3 4.4Å; L237-W706 WeakPolarHBondContact O-CZ3 3.36Å; F240-W706 HydrophobicContact CB-CH2 3.98Å; F240-W706 HydrophobicContact CB-CZ3 4.48Å; K241-W706 HydrophobicContact CB-CH2 3.87Å; K241-W706 HydrophobicContact CB-CZ2 4.23Å; K241-W706 HydrophobicContact CB-CZ3 4.1Å; K241-W706 HydrophobicContact CD-CD2 3.83Å; K241-W706 VanDerWaalsContact CD-CE2 3.45Å; K241-W706 HydrophobicContact CD-CE3 4.28Å; K241-W706 HydrophobicContact CD-CG 4.4Å; K241-W706 HydrophobicContact CD-CH2 4.05Å; K241-W706 HydrophobicContact CD-CZ2 3.58Å; K241-W706 HydrophobicContact CD-CZ3 4.38Å; K241-W706 WeakPolarHBondContact CE-O 3.5Å; K241-W706 VanDerWaalsContact NZ-CD1 3.27Å; K241-W706 PolarHBondContact NZ-O 2.86Å; V252-W706 HydrophobicContact CB-CH2 4.35Å; V252-W706 HydrophobicContact CB-CZ2 4.08Å; V252-W706 HydrophobicContact CG1-CH2 3.63Å; V252-W706 HydrophobicContact CG1-CZ2 3.75Å; P254-W706 HydrophobicContact CB-CB 3.93Å; P254-W706 HydrophobicContact CB-CD2 3.71Å; P254-W706 HydrophobicContact CB-CE3 4.16Å; P254-W706 HydrophobicContact CB-CG 3.6Å; P254-W706 HydrophobicContact CG-CG 4.27Å; N703-W706 HydrophobicContact CB-CB 3.83Å; N703-W706 WeakPolarHBondContact O-CB 2.9Å; N703-W706 PolarHBondContact O-N 3.44Å; N703-W706 PolarHBondContact OD1-N 2.89Å; W706-I709 HydrophobicContact CD2-CD1 4.45Å; W706-I709 HydrophobicContact CE3-CD1 3.62Å; W706-I709 HydrophobicContact CZ3-CD1 4.12Å
707	N	79.6	Confident	78.2	Confident	94 Å²	94	76.2 Å²	76.2	50%	0.503	38%	0.379	S	S	.	.	H	α-helix	trans	-78.9	-20.9	177.1	-67.1	-9	0	0	0	113.1	N703 F705	N703-N707 PolarHBondContact O-N 3.41Å; F705-N707 PolarHBondContact O-N 3.17Å; F705-N707 VanDerWaalsContact O-N 3.15Å
708	K	82.4	Confident	79.2	Confident	164 Å²	164	72.7 Å²	72.7	71%	0.713	38%	0.375	S	S	*	.	H	α-helix	trans	-91.4	-5.9	173.5	-71.9	172.4	-177.5	178.7	0	114	T704 F705 E710	T704-K708 WeakPolarHBondContact O-CD 3.27Å; T704-K708 WeakPolarHBondContact O-CG 3.4Å; T704-K708 PolarHBondContact O-N 3.31Å; F705-K708 CarbonylContact O-C 3.57Å; F705-K708 WeakPolarHBondContact O-CA 3.22Å; F705-K708 WeakPolarHBondContact O-CB 3.46Å; F705-K708 PolarHBondContact O-N 2.81Å; K708-E710 PolarHBondContact O-N 2.85Å
709	I	82.1	Confident	80.3	Confident	12 Å²	12	72.2 Å²	72.2	6%	0.062	37%	0.373	C	S	.	.			trans	-66.6	102.5	172.9	-63.6	-178.9	0	0	0	108.3	L237 H238 K241 F705 W706 C711	L237-I709 HydrophobicContact CB-CD1 3.91Å; H238-I709 HydrophobicContact CB-CG2 4.3Å; H238-I709 WeakPolarHBondContact ND1-CG2 3.49Å; K241-I709 HydrophobicContact CB-CG2 3.88Å; K241-I709 HydrophobicContact CG-CB 4.24Å; K241-I709 HydrophobicContact CG-CG2 3.92Å; F705-I709 HydrophobicContact CD1-CD1 3.95Å; F705-I709 HydrophobicContact CD1-CG1 3.99Å; F705-I709 HydrophobicContact CE1-CD1 3.64Å; F705-I709 HydrophobicContact CE1-CG1 3.76Å; F705-I709 HydrophobicContact CZ-CG1 4.44Å; F705-I709 WeakPolarHBondContact O-CG1 3.49Å; F705-I709 PolarHBondContact O-N 3.03Å; F705-I709 VanDerWaalsContact O-N 3.08Å; W706-I709 HydrophobicContact CD2-CD1 4.45Å; W706-I709 HydrophobicContact CE3-CD1 3.62Å; W706-I709 HydrophobicContact CZ3-CD1 4.12Å; I709-C711 PolarHBondContact O-N 2.97Å
710	E	81.6	Confident	81.5	Confident	170 Å²	170	74.3 Å²	74.3	79%	0.794	39%	0.385	S	S	*	.			trans	-59.9	129.4	168.5	-70.1	-178.5	-178.6	0	0	109.8	H238 K708	H238-E710 PolarHBondContact CE1-O 2.86Å; H238-E710 PolarHBondContact ND1-O 2.78Å; K708-E710 PolarHBondContact O-N 2.85Å
711	C	80.2	Confident	82.4	Confident	20 Å²	20	74 Å²	74	14%	0.135	38%	0.383	C	S	.	.			trans	-141.4	125.1	-172.4	177.9	0	0	0	0	109.4	K241 W242 K245 I709	K241-C711 HydrophobicContact CB-CB 4.43Å; K241-C711 HydrophobicContact CG-CB 3.77Å; W242-C711 WeakPolarHBondContact CA-SG 3.49Å; W242-C711 PolarHBondContact N-SG 3.48Å; W242-C711 VanDerWaalsContact N-SG 3.39Å; K245-C711 PolarHBondContact NZ-O 2.91Å; I709-C711 PolarHBondContact O-N 2.97Å
712	P	80.8	Confident	83.5	Confident	60 Å²	60	73.6 Å²	73.6	39%	0.39	38%	0.381	S	S	.	.			trans	-64.1	145.9	176.4	28.5	-34.1	0	0	0	110.7	S714 P718	P712-S714 PolarHBondContact O-N 3.1Å; P712-P718 HydrophobicContact CB-CG 4.44Å; P712-P718 HydrophobicContact CG-CG 3.74Å
713	D	85.6	Confident	85.2	Confident	135 Å²	135	73 Å²	73	72%	0.722	37%	0.374	S	S	*	.			trans	-90.6	26.2	175.8	-60.5	-51.2	0	0	0	112	K245	K245-D713 IonicContact NZ-OD1 3.8Å; K245-D713 PolarHBondContact NZ-OD1 2.91Å
714	S	91.6	Very high	86.5	Confident	41 Å²	41	72.5 Å²	72.5	29%	0.287	37%	0.372	S	S	.	.			trans	-82.9	134.6	-178.3	59.8	0	0	0	0	112	W242 P712 V716	W242-S714 PolarHBondContact NE1-O 2.74Å; P712-S714 PolarHBondContact O-N 3.1Å; S714-V716 VanDerWaalsContact C-N 3.3Å; S714-V716 WeakPolarHBondContact CB-O 3.48Å; S714-V716 PolarHBondContact O-N 2.88Å; S714-V716 PolarHBondContact OG-O 2.74Å
715	V	90.9	Very high	87.6	Confident	49 Å²	49	68.9 Å²	68.9	30%	0.297	35%	0.348	S	S	.	.	S	Bend	trans	-62.7	-35.1	178.4	177.2	0	0	0	0	112.6	R104 P114 D115	R104-V715 VanDerWaalsContact CD-O 3.28Å; R104-V715 WeakPolarHBondContact CD-O 3.27Å; R104-V715 PolarHBondContact NH1-O 2.82Å; P114-V715 HydrophobicContact CB-CG1 4.01Å; P114-V715 HydrophobicContact CG-CG1 3.67Å; D115-V715 HydrophobicContact CB-CG1 4.36Å; D115-V715 VanDerWaalsContact CG-CG1 3.45Å; D115-V715 WeakPolarHBondContact OD1-CG1 3.44Å; D115-V715 VanDerWaalsContact OD2-CG2 3.29Å; D115-V715 WeakPolarHBondContact OD2-CG2 3.08Å
716	V	93.6	Very high	88.8	Confident	54 Å²	54	66.1 Å²	66.1	33%	0.327	34%	0.336	S	S	.	.	S	Bend	trans	-96.9	148.3	170.7	-66.2	0	0	0	0	110.5	R104 A108 P114 S714	R104-V716 HydrophobicContact CB-CG1 4.4Å; A108-V716 HydrophobicContact CB-CG1 4.49Å; P114-V716 HydrophobicContact CB-CG1 4.23Å; P114-V716 HydrophobicContact CG-CG1 4.17Å; S714-V716 VanDerWaalsContact C-N 3.3Å; S714-V716 WeakPolarHBondContact CB-O 3.48Å; S714-V716 PolarHBondContact O-N 2.88Å; S714-V716 PolarHBondContact OG-O 2.74Å
717	F	95.1	Very high	89.7	Confident	29 Å²	29	68.4 Å²	68.4	13%	0.127	35%	0.345	C	S	.	.			trans	-79.5	128.5	-178.1	-174.8	-112.4	0	0	0	111.4	A101 F239 W242 W719 I726	A101-F717 HydrophobicContact CB-CB 4.25Å; F239-F717 HydrophobicContact CB-CZ 4.5Å; F239-F717 HydrophobicContact CD2-CD1 4.16Å; F239-F717 AromaticContact CD2-CD2 3.89Å; F239-F717 HydrophobicContact CD2-CD2 3.89Å; F239-F717 AromaticContact CD2-CE1 3.93Å; F239-F717 HydrophobicContact CD2-CE1 3.93Å; F239-F717 AromaticContact CD2-CE2 3.66Å; F239-F717 HydrophobicContact CD2-CE2 3.66Å; F239-F717 HydrophobicContact CD2-CG 4.15Å; F239-F717 AromaticContact CD2-CZ 3.68Å; F239-F717 HydrophobicContact CD2-CZ 3.68Å; F239-F717 HydrophobicContact CE2-CD1 4.19Å; F239-F717 HydrophobicContact CE2-CD2 4.19Å; F239-F717 HydrophobicContact CE2-CE1 4.39Å; F239-F717 HydrophobicContact CE2-CE2 4.39Å; F239-F717 HydrophobicContact CE2-CG 4.1Å; F239-F717 HydrophobicContact CE2-CZ 4.49Å; W242-F717 HydrophobicContact CB-CD2 4.34Å; W242-F717 HydrophobicContact CB-CE2 4.38Å; W242-F717 HydrophobicContact CD2-CB 4.26Å; W242-F717 AromaticContact CD2-CD2 3.5Å; W242-F717 HydrophobicContact CD2-CD2 3.5Å; W242-F717 VanDerWaalsContact CD2-CD2 3.5Å; W242-F717 HydrophobicContact CD2-CE2 4.34Å; W242-F717 HydrophobicContact CD2-CG 4.29Å; W242-F717 AromaticContact CE2-CD2 3.96Å; W242-F717 HydrophobicContact CE3-CB 4.22Å; W242-F717 AromaticContact CE3-CD2 3.63Å; W242-F717 HydrophobicContact CE3-CD2 3.63Å; W242-F717 HydrophobicContact CE3-CE2 4.42Å; W242-F717 HydrophobicContact CE3-CG 4.2Å; W242-F717 AromaticContact CG-CD2 3.79Å; W242-F717 HydrophobicContact CG-CD2 3.79Å; W242-F717 HydrophobicContact CG-CE2 4.29Å; W242-F717 HydrophobicContact CH2-CB 3.77Å; W242-F717 HydrophobicContact CZ2-CB 3.76Å; W242-F717 HydrophobicContact CZ3-CB 3.98Å; W242-F717 HydrophobicContact CZ3-CD2 4.23Å; W242-F717 HydrophobicContact CZ3-CG 4.34Å; F717-W719 AromaticContact CD1-CD2 3.66Å; F717-W719 HydrophobicContact CD1-CD2 3.66Å; F717-W719 AromaticContact CD1-CE3 3.57Å; F717-W719 HydrophobicContact CD1-CE3 3.57Å; F717-W719 HydrophobicContact CD1-CG 4.19Å; F717-W719 HydrophobicContact CD1-CH2 4.32Å; F717-W719 HydrophobicContact CD1-CZ2 4.4Å; F717-W719 AromaticContact CD1-CZ3 3.91Å; F717-W719 HydrophobicContact CD1-CZ3 3.91Å; F717-W719 HydrophobicContact CE1-CD2 4.35Å; F717-W719 AromaticContact CE1-CE3 3.92Å; F717-W719 HydrophobicContact CE1-CE3 3.92Å; F717-W719 HydrophobicContact CE1-CZ3 4.33Å; F717-W719 PolarHBondContact O-N 2.81Å; F717-W719 PolarHBondContact O-NE1 3.08Å; F717-I726 HydrophobicContact CD1-CG2 4.36Å; F717-I726 HydrophobicContact CE1-CG2 3.64Å; F717-I726 HydrophobicContact CZ-CG2 4.24Å
718	P	94.1	Very high	90.4	Very high	74 Å²	74	66.1 Å²	66.1	48%	0.481	34%	0.336	S	S	.	.			trans	-79	85.8	177.9	30.1	-31.9	0	0	0	111	P712 D720	P712-P718 HydrophobicContact CB-CG 4.44Å; P712-P718 HydrophobicContact CG-CG 3.74Å; P718-D720 PolarHBondContact O-N 2.94Å
719	W	94.3	Very high	91	Very high	59 Å²	59	58.7 Å²	58.7	22%	0.223	30%	0.304	C	S	.	.			trans	-58.3	119.4	-178.5	-55.4	98.8	0	0	0	113.4	V98 A101 A102 D105 F717 H721 I726 R727 S728	V98-W719 HydrophobicContact CG1-CH2 4.11Å; V98-W719 HydrophobicContact CG1-CZ3 4.38Å; A101-W719 HydrophobicContact CB-CH2 4.01Å; A101-W719 HydrophobicContact CB-CZ2 3.9Å; A102-W719 HydrophobicContact CB-CZ2 4.31Å; D105-W719 PolarHBondContact OD2-NE1 3.02Å; F717-W719 AromaticContact CD1-CD2 3.66Å; F717-W719 HydrophobicContact CD1-CD2 3.66Å; F717-W719 AromaticContact CD1-CE3 3.57Å; F717-W719 HydrophobicContact CD1-CE3 3.57Å; F717-W719 HydrophobicContact CD1-CG 4.19Å; F717-W719 HydrophobicContact CD1-CH2 4.32Å; F717-W719 HydrophobicContact CD1-CZ2 4.4Å; F717-W719 AromaticContact CD1-CZ3 3.91Å; F717-W719 HydrophobicContact CD1-CZ3 3.91Å; F717-W719 HydrophobicContact CE1-CD2 4.35Å; F717-W719 AromaticContact CE1-CE3 3.92Å; F717-W719 HydrophobicContact CE1-CE3 3.92Å; F717-W719 HydrophobicContact CE1-CZ3 4.33Å; F717-W719 PolarHBondContact O-N 2.81Å; F717-W719 PolarHBondContact O-NE1 3.08Å; W719-H721 PolarHBondContact O-N 2.94Å; W719-I726 HydrophobicContact CE3-CG2 4.09Å; W719-I726 HydrophobicContact CZ3-CG2 3.71Å; W719-R727 VanDerWaalsContact CE3-C 3.44Å; W719-R727 WeakPolarHBondContact CZ3-O 3.37Å; W719-S728 VanDerWaalsContact CZ3-N 3.28Å
720	D	93.4	Very high	91.5	Very high	77 Å²	77	60.5 Å²	60.5	41%	0.412	32%	0.317	S	S	.	.			trans	-81.7	116.3	170	-179.3	15.6	0	0	0	111.5	P718 K722 S723	P718-D720 PolarHBondContact O-N 2.94Å; D720-K722 PolarHBondContact O-N 3.3Å; D720-K722 WeakPolarHBondContact OD1-CB 3.42Å; D720-K722 PolarHBondContact OD1-N 3.31Å; D720-S723 WeakPolarHBondContact O-CB 3.34Å; D720-S723 PolarHBondContact O-N 2.76Å
721	H	90.7	Very high	91.9	Very high	140 Å²	140	52.6 Å²	52.6	65%	0.648	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.5	174.5	66.1	-80.7	0	0	0	114.2	W719	W719-H721 PolarHBondContact O-N 2.94Å
722	K	93.4	Very high	92.4	Very high	151 Å²	151	52.5 Å²	52.5	66%	0.657	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-20	174.8	-57.7	175	-176.8	168.1	0	112.9	D720 T724	D720-K722 PolarHBondContact O-N 3.3Å; D720-K722 WeakPolarHBondContact OD1-CB 3.42Å; D720-K722 PolarHBondContact OD1-N 3.31Å; K722-T724 PolarHBondContact O-N 2.92Å
723	S	94.8	Very high	92.5	Very high	5 Å²	5	54 Å²	54	4%	0.035	29%	0.289	C	S	.	.			trans	-55.8	138.7	-177.8	177.5	0	0	0	0	111.7	E235 D720 Y725 I726	E235-S723 WeakPolarHBondContact OE2-CB 3.3Å; E235-S723 PolarHBondContact OE2-OG 3.41Å; D720-S723 WeakPolarHBondContact O-CB 3.34Å; D720-S723 PolarHBondContact O-N 2.76Å; S723-Y725 PolarHBondContact OG-N 2.72Å; S723-Y725 VanDerWaalsContact OG-N 3.1Å; S723-I726 WeakPolarHBondContact CB-O 3.32Å; S723-I726 PolarHBondContact OG-N 2.89Å; S723-I726 PolarHBondContact OG-O 3.3Å
724	T	95	Very high	92.2	Very high	13 Å²	13	55.7 Å²	55.7	8%	0.08	29%	0.29	C	S	.	.	S	Bend	trans	-110.1	4.6	171.5	62.2	0	0	0	0	112.2	K722 K782 L784 R795 N798	K722-T724 PolarHBondContact O-N 2.92Å; T724-K782 HydrophobicContact CG2-CB 3.99Å; T724-K782 HydrophobicContact CG2-CG 4.15Å; T724-L784 HydrophobicContact CG2-CD1 4Å; T724-R795 VanDerWaalsContact C-NH1 3.25Å; T724-R795 WeakPolarHBondContact O-CD 3.32Å; T724-R795 PolarHBondContact O-NH1 2.84Å; T724-R795 PolarHBondContact OG1-NH1 3.37Å; T724-N798 VanDerWaalsContact C-ND2 3.26Å; T724-N798 PolarHBondContact O-ND2 3.18Å
725	Y	93	Very high	91.9	Very high	19 Å²	19	54.7 Å²	54.7	8%	0.075	28%	0.281	C	S	.	.	S	Bend	trans	-113.4	-39.5	177.2	-77.5	-74.5	0	0	0	113.9	R232 E235 R236 S723 N790 A794 R795 G797 N798	R232-Y725 WeakPolarHBondContact O-CE2 3.34Å; R232-Y725 PolarHBondContact O-OH 2.76Å; R232-Y725 VanDerWaalsContact O-OH 3.1Å; E235-Y725 HydrophobicContact CB-CD2 4.16Å; E235-Y725 HydrophobicContact CB-CG 4.45Å; E235-Y725 HydrophobicContact CG-CD2 4.4Å; R236-Y725 HydrophobicContact CG-CD1 4.13Å; R236-Y725 HydrophobicContact CG-CG 4.36Å; S723-Y725 PolarHBondContact OG-N 2.72Å; S723-Y725 VanDerWaalsContact OG-N 3.1Å; Y725-N790 PolarHBondContact OH-ND2 3.38Å; Y725-N790 VanDerWaalsContact OH-ND2 3.09Å; Y725-A794 VanDerWaalsContact CD1-O 3.29Å; Y725-A794 WeakPolarHBondContact CD1-O 3.48Å; Y725-A794 HydrophobicContact CE1-CB 4.38Å; Y725-R795 VanDerWaalsContact CZ-CZ 3.49Å; Y725-G797 CarbonylContact O-C 3.44Å; Y725-G797 VanDerWaalsContact O-CA 3.27Å; Y725-G797 WeakPolarHBondContact O-CA 3.2Å; Y725-N798 PolarHBondContact O-N 2.85Å
726	I	95.5	Very high	91.6	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	28%	0.282	C	S	.	.			trans	-126.3	118.8	-172.4	-53.2	-62.2	0	0	0	109.1	I94 V98 F239 F717 W719 S723 G797	I94-I726 HydrophobicContact CD1-CD1 4.06Å; I94-I726 HydrophobicContact CG2-CD1 4Å; V98-I726 HydrophobicContact CG2-CD1 4.41Å; V98-I726 HydrophobicContact CG2-CG2 4.18Å; F239-I726 HydrophobicContact CB-CD1 4.07Å; F239-I726 HydrophobicContact CB-CG1 4.04Å; F239-I726 HydrophobicContact CD1-CD1 4.04Å; F239-I726 HydrophobicContact CD2-CG2 3.85Å; F239-I726 HydrophobicContact CE2-CG2 4.23Å; F239-I726 HydrophobicContact CG-CD1 4.02Å; F239-I726 HydrophobicContact CG-CG1 4.28Å; F239-I726 HydrophobicContact CG-CG2 4.18Å; F717-I726 HydrophobicContact CD1-CG2 4.36Å; F717-I726 HydrophobicContact CE1-CG2 3.64Å; F717-I726 HydrophobicContact CZ-CG2 4.24Å; W719-I726 HydrophobicContact CE3-CG2 4.09Å; W719-I726 HydrophobicContact CZ3-CG2 3.71Å; S723-I726 WeakPolarHBondContact CB-O 3.32Å; S723-I726 PolarHBondContact OG-N 2.89Å; S723-I726 PolarHBondContact OG-O 3.3Å; I726-G797 CarbonylContact C-O 3.56Å; I726-G797 WeakPolarHBondContact CA-O 3.47Å
727	R	95.6	Very high	91	Very high	66 Å²	66	56.9 Å²	56.9	25%	0.249	29%	0.288	C	S	.	.			trans	-141.4	144.9	-179.6	-68.8	172.5	58.2	78.4	5.5	110.6	W719 P729 G797 N798 D799	W719-R727 VanDerWaalsContact CE3-C 3.44Å; W719-R727 WeakPolarHBondContact CZ3-O 3.37Å; R727-P729 WeakPolarHBondContact O-CD 3.45Å; R727-G797 PolarHBondContact N-O 2.73Å; R727-N798 VanDerWaalsContact CD-CG 3.43Å; R727-N798 VanDerWaalsContact CD-OD1 3.24Å; R727-N798 WeakPolarHBondContact CD-OD1 3.24Å; R727-D799 IonicContact CZ-OD1 2.61Å; R727-D799 IonicContact NE-OD1 3.95Å; R727-D799 PolarHBondContact NE-OD1 2.88Å; R727-D799 IonicContact NH2-OD1 3.07Å
728	S	95.3	Very high	90.4	Very high	45 Å²	45	61.9 Å²	61.9	32%	0.315	32%	0.316	S	S	.	.			trans	-67	113	174.4	-168.3	0	0	0	0	109.3	W719	W719-S728 VanDerWaalsContact CZ3-N 3.28Å
729	P	93.4	Very high	90	Very high	8 Å²	8	62.1 Å²	62.1	5%	0.052	31%	0.313	C	S	.	.			trans	-72.1	148.4	179.1	30.3	-37	0	0	0	111.5	V98 D99 A102 R727 F731 D799	V98-P729 HydrophobicContact CG1-CG 4.1Å; D99-P729 WeakPolarHBondContact OD1-CG 3.46Å; A102-P729 HydrophobicContact CB-CG 3.91Å; R727-P729 WeakPolarHBondContact O-CD 3.45Å; P729-F731 HydrophobicContact CB-CD2 3.52Å; P729-F731 HydrophobicContact CB-CE2 3.43Å; P729-F731 VanDerWaalsContact CB-CE2 3.43Å; P729-F731 HydrophobicContact CB-CG 4.2Å; P729-F731 HydrophobicContact CB-CZ 4.07Å; P729-F731 HydrophobicContact CG-CD2 3.63Å; P729-F731 HydrophobicContact CG-CE2 3.78Å; P729-F731 PolarHBondContact O-N 2.81Å; P729-F731 VanDerWaalsContact O-N 3.07Å; P729-D799 HydrophobicContact CB-CB 4.32Å
730	P	93.4	Very high	89.2	Confident	50 Å²	50	62.4 Å²	62.4	33%	0.325	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-78.4	10.2	-174.6	33.1	-37.1	0	0	0	114.2	F732 S733 L872	P730-F732 PolarHBondContact O-N 2.9Å; P730-F732 VanDerWaalsContact O-N 3.15Å; P730-S733 VanDerWaalsContact O-CB 3.27Å; P730-S733 WeakPolarHBondContact O-CB 3.46Å; P730-S733 PolarHBondContact O-N 3.47Å; P730-S733 PolarHBondContact O-OG 3.36Å; P730-L872 HydrophobicContact CG-CD1 4.45Å; P730-L872 HydrophobicContact CG-CD2 3.63Å
731	F	90.6	Very high	88.6	Confident	5 Å²	5	63.7 Å²	63.7	2%	0.022	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-55.3	-36.1	-173.7	-57.5	-46.7	0	0	0	113.4	D99 P729 W865 K868 Y871 L872 M894 R964	D99-F731 WeakPolarHBondContact OD1-CD2 3.41Å; D99-F731 WeakPolarHBondContact OD1-CE2 3.41Å; P729-F731 HydrophobicContact CB-CD2 3.52Å; P729-F731 HydrophobicContact CB-CE2 3.43Å; P729-F731 VanDerWaalsContact CB-CE2 3.43Å; P729-F731 HydrophobicContact CB-CG 4.2Å; P729-F731 HydrophobicContact CB-CZ 4.07Å; P729-F731 HydrophobicContact CG-CD2 3.63Å; P729-F731 HydrophobicContact CG-CE2 3.78Å; P729-F731 PolarHBondContact O-N 2.81Å; P729-F731 VanDerWaalsContact O-N 3.07Å; F731-W865 HydrophobicContact CZ-CH2 4.23Å; F731-K868 HydrophobicContact CE1-CB 4.34Å; F731-K868 HydrophobicContact CE1-CG 4.46Å; F731-K868 HydrophobicContact CE2-CD 4.26Å; F731-K868 HydrophobicContact CE2-CG 4.46Å; F731-K868 HydrophobicContact CZ-CB 3.89Å; F731-K868 HydrophobicContact CZ-CD 4.11Å; F731-K868 HydrophobicContact CZ-CG 3.9Å; F731-Y871 AromaticContact CD1-CD1 3.96Å; F731-Y871 HydrophobicContact CD1-CD1 3.96Å; F731-Y871 AromaticContact CD1-CE1 3.89Å; F731-Y871 HydrophobicContact CD1-CE1 3.89Å; F731-Y871 HydrophobicContact CE1-CD1 4.07Å; F731-Y871 HydrophobicContact CE1-CE1 4.45Å; F731-L872 HydrophobicContact CD1-CD2 4.07Å; F731-L872 HydrophobicContact CE1-CD1 3.82Å; F731-L872 HydrophobicContact CE1-CD2 3.8Å; F731-L872 HydrophobicContact CE1-CG 3.76Å; F731-L872 HydrophobicContact CZ-CD1 4.14Å; F731-M894 HydrophobicContact CD1-CE 3.92Å; F731-M894 HydrophobicContact CE1-CE 3.88Å; F731-M894 HydrophobicContact CZ-CE 4.44Å; F731-R964 VanDerWaalsContact O-CZ 3.3Å; F731-R964 PolarHBondContact O-NE 3.38Å; F731-R964 PolarHBondContact O-NH2 3.08Å
732	F	90.4	Very high	88.1	Confident	18 Å²	18	59 Å²	59	8%	0.079	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-98	3.4	-179.4	-50.5	-76.1	0	0	0	114.5	A102 M103 A106 P730 K734 L735 L963 A967	A102-F732 HydrophobicContact CB-CD2 3.92Å; A102-F732 HydrophobicContact CB-CE2 3.87Å; A102-F732 WeakPolarHBondContact O-CD2 3.29Å; M103-F732 HydrophobicContact CB-CE1 4.4Å; M103-F732 HydrophobicContact CB-CE2 4.1Å; M103-F732 HydrophobicContact CB-CZ 3.82Å; M103-F732 HydrophobicContact CE-CE1 4.3Å; M103-F732 HydrophobicContact CE-CZ 4.01Å; M103-F732 HydrophobicContact CG-CE1 4.37Å; M103-F732 HydrophobicContact CG-CZ 4.24Å; A106-F732 HydrophobicContact CB-CB 3.51Å; A106-F732 HydrophobicContact CB-CD1 4.16Å; A106-F732 HydrophobicContact CB-CD2 4.36Å; A106-F732 HydrophobicContact CB-CG 3.77Å; P730-F732 PolarHBondContact O-N 2.9Å; P730-F732 VanDerWaalsContact O-N 3.15Å; F732-K734 PolarHBondContact O-N 2.92Å; F732-L735 HydrophobicContact CB-CB 4.47Å; F732-L735 WeakPolarHBondContact O-CB 3.42Å; F732-L735 PolarHBondContact O-N 3.32Å; F732-L963 HydrophobicContact CE1-CB 3.93Å; F732-L963 HydrophobicContact CZ-CB 3.89Å; F732-A967 HydrophobicContact CD1-CB 4.14Å; F732-A967 HydrophobicContact CE1-CB 3.95Å
733	S	83	Confident	87.7	Confident	91 Å²	91	59.5 Å²	59.5	64%	0.636	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.6	-174.4	58.4	0	0	0	0	115.4	P730	P730-S733 VanDerWaalsContact O-CB 3.27Å; P730-S733 WeakPolarHBondContact O-CB 3.46Å; P730-S733 PolarHBondContact O-N 3.47Å; P730-S733 PolarHBondContact O-OG 3.36Å
734	K	78.8	Confident	87.6	Confident	171 Å²	171	61.5 Å²	61.5	74%	0.743	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	32	176	-59.6	-174.3	178.9	-175	0	111.7	F732 S736	F732-K734 PolarHBondContact O-N 2.92Å; K734-S736 PolarHBondContact O-N 3.18Å
735	L	85.3	Confident	87.6	Confident	19 Å²	19	61.6 Å²	61.6	10%	0.099	34%	0.335	C	S	.	.			trans	-70.8	124.6	174.1	-170	70.6	0	0	0	109.2	A106 H110 F732 R964 A967 R968	A106-L735 HydrophobicContact CB-CD2 3.98Å; H110-L735 PolarHBondContact CE1-O 3.4Å; H110-L735 PolarHBondContact NE2-O 3.5Å; F732-L735 HydrophobicContact CB-CB 4.47Å; F732-L735 WeakPolarHBondContact O-CB 3.42Å; F732-L735 PolarHBondContact O-N 3.32Å; L735-R964 HydrophobicContact CD1-CB 4.16Å; L735-R964 HydrophobicContact CD1-CG 4.25Å; L735-A967 HydrophobicContact CD1-CB 4.39Å; L735-A967 HydrophobicContact CD2-CB 3.72Å; L735-R968 HydrophobicContact CD1-CG 4.03Å
736	S	84.6	Confident	87.8	Confident	44 Å²	44	65.4 Å²	65.4	31%	0.308	35%	0.353	S	S	.	.			trans	-116.5	153	173.8	53.3	0	0	0	0	109.3	K734 D738 R968	K734-S736 PolarHBondContact O-N 3.18Å; S736-D738 PolarHBondContact OG-O 3.33Å; S736-R968 PolarHBondContact O-NE 3Å; S736-R968 PolarHBondContact OG-NH2 2.97Å
737	K	80.6	Confident	87.8	Confident	105 Å²	105	69.3 Å²	69.3	46%	0.457	37%	0.374	S	S	.	.	S	Bend	trans	-60.9	-53.1	169	-64.3	-165.4	178.3	-167.1	0	110.1	R968 V971	K737-R968 WeakPolarHBondContact O-CD 3.48Å; K737-V971 HydrophobicContact CD-CG1 4.16Å; K737-V971 HydrophobicContact CG-CG1 3.94Å
738	D	83.6	Confident	87.9	Confident	134 Å²	134	66.1 Å²	66.1	72%	0.717	36%	0.362	S	S	*	.	S	Bend	trans	-64.3	141.1	176.8	-51.5	-51.9	0	0	0	111.9	S736 P740 R968	S736-D738 PolarHBondContact OG-O 3.33Å; D738-P740 WeakPolarHBondContact O-CD 3.5Å; D738-R968 PolarHBondContact O-NH2 3.07Å
739	I	84.4	Confident	88	Confident	80 Å²	80	64.5 Å²	64.5	41%	0.41	35%	0.35	S	S	.	.			trans	-84.4	114.6	173.6	-56.6	156.6	0	0	0	107.3	H959	I739-H959 VanDerWaalsContact CD1-CE1 3.5Å; I739-H959 WeakPolarHBondContact CD1-CE1 3.48Å; I739-H959 WeakPolarHBondContact CD1-NE2 3.38Å
740	P	78.8	Confident	88.3	Confident	65 Å²	65	64.1 Å²	64.1	42%	0.422	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-67.9	144.1	176	29.6	-34.1	0	0	0	110	D738	D738-P740 WeakPolarHBondContact O-CD 3.5Å
741	P	80	Confident	88.5	Confident	103 Å²	103	61.8 Å²	61.8	67%	0.669	33%	0.332	S	S	*	.	P	Polyproline II helix	trans	-61.6	145.1	174.7	26.7	-34.3	0	0	0	110.5	Q743	P741-Q743 PolarHBondContact O-N 3.28Å
742	P	80.4	Confident	88.9	Confident	41 Å²	41	61.5 Å²	61.5	27%	0.266	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-54.4	124	175	-26.7	35.6	0	0	0	111.5	L922 L926 F957 Q958	P742-L922 HydrophobicContact CB-CD1 3.75Å; P742-L926 HydrophobicContact CB-CD1 4.28Å; P742-L926 HydrophobicContact CG-CD1 4.33Å; P742-F957 HydrophobicContact CB-CE1 4.34Å; P742-Q958 HydrophobicContact CG-CG 3.9Å
743	Q	84.7	Confident	89.3	Confident	162 Å²	162	61 Å²	61	76%	0.757	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-94.2	127.6	-178.4	-65.8	-173.9	-22.6	0	0	110.8	P741 L922	P741-Q743 PolarHBondContact O-N 3.28Å; Q743-L922 WeakPolarHBondContact O-CD1 3.37Å
744	S	92.7	Very high	90	Very high	48 Å²	48	56.8 Å²	56.8	34%	0.336	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-51.6	140.4	168.1	-63.1	0	0	0	0	110.8	V920 L922	S744-V920 WeakPolarHBondContact CA-O 3.49Å; S744-V920 WeakPolarHBondContact CB-O 3.33Å; S744-L922 PolarHBondContact OG-N 3.1Å
745	I	95.6	Very high	90.6	Very high	15 Å²	15	50.1 Å²	50.1	8%	0.077	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	119.3	173.5	-63.5	171.6	0	0	0	106.3	A748 P848 R876 A877 M897 S919 V920	I745-A748 HydrophobicContact CG2-CB 3.56Å; I745-P848 HydrophobicContact CG2-CB 4.29Å; I745-R876 HydrophobicContact CD1-CB 3.75Å; I745-R876 HydrophobicContact CG1-CB 4.19Å; I745-A877 HydrophobicContact CD1-CB 3.7Å; I745-M897 HydrophobicContact CD1-CE 3.81Å; I745-S919 CarbonylContact O-C 3.58Å; I745-S919 WeakPolarHBondContact O-CA 3.47Å; I745-V920 HydrophobicContact CB-CB 4.18Å; I745-V920 HydrophobicContact CB-CG2 4.37Å; I745-V920 PolarHBondContact N-O 3.5Å; I745-V920 PolarHBondContact O-N 3.25Å
746	E	96.3	Very high	90.9	Very high	98 Å²	98	53.6 Å²	53.6	46%	0.458	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.6	-180	-70.8	-60.8	156.8	0	0	111.9	A748 S919	E746-A748 PolarHBondContact O-N 3.04Å; E746-A748 VanDerWaalsContact O-N 3.12Å; E746-S919 WeakPolarHBondContact OE2-CB 3.46Å; E746-S919 PolarHBondContact OE2-OG 2.81Å
747	N	95.9	Very high	90.8	Very high	87 Å²	87	57.9 Å²	57.9	47%	0.465	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.2	29.6	173.1	-71.1	-76.9	0	0	0	115.4	S919	N747-S919 PolarHBondContact N-OG 2.67Å
748	A	97.8	Very high	91.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	146.9	-177.7	0	0	0	0	0	112.7	I745 E746 P848 I850 R917 F918	I745-A748 HydrophobicContact CG2-CB 3.56Å; E746-A748 PolarHBondContact O-N 3.04Å; E746-A748 VanDerWaalsContact O-N 3.12Å; A748-P848 CarbonylContact C-O 3.43Å; A748-P848 WeakPolarHBondContact CA-O 3.33Å; A748-P848 HydrophobicContact CB-CB 3.95Å; A748-P848 WeakPolarHBondContact CB-O 3.27Å; A748-I850 HydrophobicContact CB-CG2 4.04Å; A748-R917 CarbonylContact O-C 3.58Å; A748-R917 VanDerWaalsContact O-CA 3.27Å; A748-R917 WeakPolarHBondContact O-CA 3.26Å; A748-F918 WeakPolarHBondContact CB-O 3.44Å; A748-F918 PolarHBondContact N-O 3.09Å; A748-F918 PolarHBondContact O-N 3.04Å
749	H	98.4	Very high	91.1	Very high	11 Å²	11	49 Å²	49	5%	0.051	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	146.4	169.9	-86.2	-74.8	0	0	0	111	L751 I827 Y842 T847 P848 L849 I850 R917	H749-L751 PolarHBondContact O-N 2.8Å; H749-I827 HydrophobicContact CB-CD1 4.38Å; H749-Y842 HydrophobicContact CB-CD1 4.47Å; H749-Y842 HydrophobicContact CB-CE1 3.75Å; H749-Y842 AromaticContact CG-CE1 3.95Å; H749-T847 HydrophobicContact CB-CG2 4.27Å; H749-P848 PolarHBondContact N-O 3.33Å; H749-L849 HydrophobicContact CB-CD2 4.31Å; H749-L849 WeakPolarHBondContact O-CA 3.49Å; H749-L849 WeakPolarHBondContact O-CD2 3.35Å; H749-I850 PolarHBondContact O-N 3.47Å; H749-R917 WeakPolarHBondContact NE2-CG 3.46Å; H749-R917 PolarHBondContact NE2-NE 3.41Å
750	A	98.1	Very high	90.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	116.8	170.6	0	0	0	0	0	109.9	L752 F816 I850 L852 G914 F918	A750-L752 VanDerWaalsContact C-N 3.34Å; A750-F816 HydrophobicContact CB-CE2 4.42Å; A750-F816 HydrophobicContact CB-CZ 4.11Å; A750-I850 CarbonylContact C-O 3.45Å; A750-I850 WeakPolarHBondContact CA-O 3.36Å; A750-I850 HydrophobicContact CB-CG1 4.22Å; A750-L852 HydrophobicContact CB-CG 4.32Å; A750-G914 WeakPolarHBondContact CB-O 3.28Å; A750-F918 HydrophobicContact CB-CE2 4.26Å
751	L	98.6	Very high	90.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-35.2	175.6	-179.8	63.5	0	0	0	111.2	H749 T824 V835 A838 A839 Y842 L849 I850 L873 V875	H749-L751 PolarHBondContact O-N 2.8Å; L751-T824 HydrophobicContact CD1-CG2 4.17Å; L751-T824 WeakPolarHBondContact O-CB 3.5Å; L751-T824 WeakPolarHBondContact O-CG2 3.45Å; L751-T824 PolarHBondContact O-OG1 2.77Å; L751-V835 HydrophobicContact CD1-CG1 4.36Å; L751-V835 HydrophobicContact CD2-CG1 4.03Å; L751-V835 HydrophobicContact CG-CG1 4.13Å; L751-A838 HydrophobicContact CD1-CB 4.19Å; L751-A839 HydrophobicContact CD1-CB 4.02Å; L751-A839 HydrophobicContact CD2-CB 4.12Å; L751-Y842 HydrophobicContact CD1-CD2 4.31Å; L751-Y842 HydrophobicContact CD1-CE2 4.35Å; L751-L849 HydrophobicContact CB-CB 4.41Å; L751-L849 HydrophobicContact CB-CD1 4.26Å; L751-L849 HydrophobicContact CB-CD2 4.28Å; L751-L849 HydrophobicContact CD1-CD1 4.19Å; L751-L849 HydrophobicContact CD2-CD1 4.2Å; L751-L849 HydrophobicContact CG-CD1 4.44Å; L751-I850 PolarHBondContact N-O 2.95Å; L751-L873 HydrophobicContact CD2-CB 4.23Å; L751-L873 HydrophobicContact CD2-CD1 4.19Å; L751-V875 HydrophobicContact CD2-CG2 4.19Å
752	L	98.6	Very high	91	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	144.9	-179	-68.2	172.8	0	0	0	109.8	A750 L754 F807 L812 N814 V835 I851 L852	A750-L752 VanDerWaalsContact C-N 3.34Å; L752-L754 HydrophobicContact CB-CD1 4.31Å; L752-L754 HydrophobicContact CB-CD2 3.99Å; L752-L754 HydrophobicContact CB-CG 3.98Å; L752-L754 HydrophobicContact CD1-CD1 4.27Å; L752-L754 HydrophobicContact CD1-CD2 4.38Å; L752-L754 HydrophobicContact CD2-CD2 4.43Å; L752-F807 HydrophobicContact CD1-CB 4.06Å; L752-F807 HydrophobicContact CD1-CD1 3.47Å; L752-F807 VanDerWaalsContact CD1-CD1 3.47Å; L752-F807 HydrophobicContact CD1-CD2 3.49Å; L752-F807 VanDerWaalsContact CD1-CD2 3.49Å; L752-F807 HydrophobicContact CD1-CE1 3.65Å; L752-F807 HydrophobicContact CD1-CE2 3.69Å; L752-F807 HydrophobicContact CD1-CG 3.39Å; L752-F807 HydrophobicContact CD1-CZ 3.77Å; L752-L812 HydrophobicContact CD2-CD2 4.34Å; L752-N814 HydrophobicContact CD2-CB 4.48Å; L752-N814 WeakPolarHBondContact CD2-ND2 3.22Å; L752-V835 HydrophobicContact CD1-CG1 4.3Å; L752-V835 HydrophobicContact CD2-CG1 4.19Å; L752-V835 HydrophobicContact CD2-CG2 3.92Å; L752-V835 HydrophobicContact CG-CG1 4.33Å; L752-I851 HydrophobicContact CB-CG1 4.38Å; L752-I851 HydrophobicContact CB-CG2 4.25Å; L752-I851 HydrophobicContact CD1-CD1 4.38Å; L752-L852 PolarHBondContact O-N 3.15Å
753	F	98.4	Very high	91.6	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.031	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	105.7	168.2	-173	-175.3	0	0	0	107.7	N814 R815 F816 L852 A907 L912	F753-N814 PolarHBondContact N-OD1 3.44Å; F753-N814 PolarHBondContact O-OD1 3.48Å; F753-N814 VanDerWaalsContact O-OD1 3.11Å; F753-R815 HydrophobicContact CB-CB 4.23Å; F753-R815 HydrophobicContact CD1-CB 4.09Å; F753-R815 HydrophobicContact CG-CB 4.03Å; F753-R815 VanDerWaalsContact O-CB 3.32Å; F753-R815 WeakPolarHBondContact O-CB 3.49Å; F753-R815 PolarHBondContact O-N 3.37Å; F753-F816 HydrophobicContact CB-CD1 4.3Å; F753-F816 HydrophobicContact CB-CD2 4.1Å; F753-F816 HydrophobicContact CB-CE1 3.97Å; F753-F816 HydrophobicContact CB-CE2 3.75Å; F753-F816 HydrophobicContact CB-CG 4.36Å; F753-F816 HydrophobicContact CB-CZ 3.68Å; F753-F816 HydrophobicContact CD1-CE1 4.13Å; F753-L852 WeakPolarHBondContact CA-O 3.46Å; F753-L852 HydrophobicContact CD2-CB 3.62Å; F753-L852 HydrophobicContact CD2-CD1 4.2Å; F753-L852 HydrophobicContact CE2-CB 4.12Å; F753-L852 HydrophobicContact CE2-CD1 4.33Å; F753-L852 HydrophobicContact CG-CB 4.25Å; F753-L852 HydrophobicContact CG-CD1 4.35Å; F753-A907 HydrophobicContact CE2-CB 3.65Å; F753-A907 HydrophobicContact CZ-CB 3.62Å; F753-L912 WeakPolarHBondContact CE1-O 3.31Å
754	L	97.6	Very high	91.8	Very high	2 Å²	2	33 Å²	33	1%	0.01	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-109.4	160.5	-168.7	-53	176.4	0	0	0	110.8	L752 V758 F807 L812 N814 I851 L852 A853 Y857	L752-L754 HydrophobicContact CB-CD1 4.31Å; L752-L754 HydrophobicContact CB-CD2 3.99Å; L752-L754 HydrophobicContact CB-CG 3.98Å; L752-L754 HydrophobicContact CD1-CD1 4.27Å; L752-L754 HydrophobicContact CD1-CD2 4.38Å; L752-L754 HydrophobicContact CD2-CD2 4.43Å; L754-V758 HydrophobicContact CB-CG2 3.71Å; L754-V758 HydrophobicContact CD1-CG1 4Å; L754-V758 HydrophobicContact CD1-CG2 3.95Å; L754-V758 HydrophobicContact CG-CG2 4.4Å; L754-F807 HydrophobicContact CD1-CE1 4.31Å; L754-L812 HydrophobicContact CD2-CD1 3.97Å; L754-L812 HydrophobicContact CD2-CG 4.4Å; L754-N814 HydrophobicContact CD2-CB 4.36Å; L754-I851 HydrophobicContact CD1-CG2 4.05Å; L754-I851 HydrophobicContact CG-CG2 4.49Å; L754-L852 PolarHBondContact N-O 3.16Å; L754-A853 HydrophobicContact CB-CB 4.32Å; L754-Y857 HydrophobicContact CD1-CE2 3.93Å
755	G	92.6	Very high	91.1	Very high	32 Å²	32	31.5 Å²	31.5	33%	0.33	17%	0.168	S	C	.	.			trans	-90.4	-154.9	171.9	0	0	0	0	0	112.8	G854	G755-G854 PolarHBondContact O-N 3.37Å
756	D	91.1	Very high	90	Very high	91 Å²	91	32.1 Å²	32.1	49%	0.487	18%	0.175	S	C	.	.	S	Bend	trans	-73.7	159.6	176.2	-62.5	-21.6	0	0	0	113	V758 G854 K855	D756-V758 VanDerWaalsContact C-N 3.31Å; D756-V758 PolarHBondContact O-N 2.83Å; D756-G854 WeakPolarHBondContact OD1-CA 3.5Å; D756-K855 CarbonylContact C-O 3.59Å; D756-K855 WeakPolarHBondContact CA-O 3.27Å; D756-K855 HydrophobicContact CB-CB 4.45Å; D756-K855 PolarHBondContact OD1-N 3.18Å
757	K	83.7	Confident	88.7	Confident	135 Å²	135	29.6 Å²	29.6	59%	0.587	18%	0.175	S	C	*	.			trans	54.1	42	168.2	-62.6	-176.6	179.4	-172	0	113.9	T759 K855 D856	K757-T759 PolarHBondContact O-N 2.81Å; K757-K855 PolarHBondContact N-O 3.05Å; K757-D856 VanDerWaalsContact CE-OD2 3.25Å; K757-D856 WeakPolarHBondContact CE-OD2 3.49Å; K757-D856 HydrophobicContact CG-CB 4.06Å
758	V	88.2	Confident	87.6	Confident	10 Å²	10	30.8 Å²	30.8	6%	0.061	19%	0.19	C	C	.	.			trans	-68.6	95.8	170.6	-175.9	0	0	0	0	108.9	L754 D756 H762 I763 Y857 G858 S859	L754-V758 HydrophobicContact CB-CG2 3.71Å; L754-V758 HydrophobicContact CD1-CG1 4Å; L754-V758 HydrophobicContact CD1-CG2 3.95Å; L754-V758 HydrophobicContact CG-CG2 4.4Å; D756-V758 VanDerWaalsContact C-N 3.31Å; D756-V758 PolarHBondContact O-N 2.83Å; V758-H762 HydrophobicContact CG1-CB 4.01Å; V758-I763 HydrophobicContact CG1-CG1 4.04Å; V758-Y857 HydrophobicContact CB-CD2 3.73Å; V758-Y857 HydrophobicContact CB-CE2 4.08Å; V758-Y857 HydrophobicContact CG1-CD2 4.12Å; V758-Y857 HydrophobicContact CG1-CE2 3.92Å; V758-Y857 HydrophobicContact CG2-CD2 4.05Å; V758-Y857 HydrophobicContact CG2-CE2 4.48Å; V758-G858 WeakPolarHBondContact O-CA 3.46Å; V758-G858 PolarHBondContact O-N 2.95Å; V758-S859 PolarHBondContact O-N 3.1Å
759	T	80.9	Confident	86.6	Confident	42 Å²	42	31.4 Å²	31.4	26%	0.258	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-72.2	161.6	-178.3	70.8	0	0	0	0	113.8	K757 D761 H762 I763 S859	K757-T759 PolarHBondContact O-N 2.81Å; T759-D761 PolarHBondContact O-N 3.06Å; T759-D761 VanDerWaalsContact O-N 3.13Å; T759-H762 PolarHBondContact N-ND1 2.9Å; T759-H762 WeakPolarHBondContact O-CA 3.5Å; T759-H762 WeakPolarHBondContact O-CB 3.47Å; T759-H762 PolarHBondContact O-N 3.31Å; T759-H762 PolarHBondContact OG1-CE1 3.15Å; T759-H762 PolarHBondContact OG1-ND1 2.88Å; T759-I763 PolarHBondContact O-N 3.14Å; T759-S859 CarbonylContact C-O 3.6Å; T759-S859 WeakPolarHBondContact CA-O 3.22Å; T759-S859 WeakPolarHBondContact CB-O 3.43Å
760	T	81.3	Confident	85.7	Confident	3 Å²	3	33.5 Å²	33.5	2%	0.018	21%	0.209	C	C	.	.	H	α-helix	trans	-56	-26.9	173.9	58.7	0	0	0	0	113.7	H762 I763 S764 G858 S859 N861 V866	T760-H762 VanDerWaalsContact C-N 3.35Å; T760-I763 PolarHBondContact O-N 3.15Å; T760-S764 CarbonylContact O-C 3.59Å; T760-S764 PolarHBondContact O-N 3.17Å; T760-G858 WeakPolarHBondContact CG2-O 3.47Å; T760-S859 PolarHBondContact N-O 3.33Å; T760-N861 WeakPolarHBondContact CB-O 3.43Å; T760-N861 WeakPolarHBondContact CG2-O 3.48Å; T760-N861 PolarHBondContact OG1-O 3.03Å; T760-V866 HydrophobicContact CG2-CG1 4.04Å
761	D	74.6	Confident	85	Confident	72 Å²	72	41.3 Å²	41.3	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-68.8	-26.8	171.7	-97.3	-60.7	0	0	0	114.4	T759 R863	T759-D761 PolarHBondContact O-N 3.06Å; T759-D761 VanDerWaalsContact O-N 3.13Å; D761-R863 VanDerWaalsContact CG-NH1 3.29Å; D761-R863 IonicContact OD1-CZ 3.77Å; D761-R863 VanDerWaalsContact OD1-CZ 3.26Å; D761-R863 IonicContact OD1-NH1 3.15Å; D761-R863 PolarHBondContact OD1-NH1 2.88Å; D761-R863 IonicContact OD1-NH2 2.72Å; D761-R863 PolarHBondContact OD1-NH2 3.47Å; D761-R863 IonicContact OD2-CZ 2.74Å; D761-R863 IonicContact OD2-NH1 2.67Å; D761-R863 IonicContact OD2-NH2 3.68Å; D761-R863 PolarHBondContact OD2-NH2 3.17Å
762	H	85.3	Confident	84.4	Confident	38 Å²	38	46.7 Å²	46.7	18%	0.176	27%	0.271	C	S	.	.	H	α-helix	trans	-76.8	-38.1	172.2	-61.4	101.5	0	0	0	111.3	V758 T759 T760 F807 L812	V758-H762 HydrophobicContact CG1-CB 4.01Å; T759-H762 PolarHBondContact N-ND1 2.9Å; T759-H762 WeakPolarHBondContact O-CA 3.5Å; T759-H762 WeakPolarHBondContact O-CB 3.47Å; T759-H762 PolarHBondContact O-N 3.31Å; T759-H762 PolarHBondContact OG1-CE1 3.15Å; T759-H762 PolarHBondContact OG1-ND1 2.88Å; T760-H762 VanDerWaalsContact C-N 3.35Å; H762-F807 WeakPolarHBondContact O-CA 3.28Å; H762-L812 HydrophobicContact CB-CD1 4.04Å
763	I	92.9	Very high	83.9	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-74.3	-48.4	-178.8	-51.7	172.7	0	0	0	111	V758 T759 T760 T806 F807 Y857 V866 P870	V758-I763 HydrophobicContact CG1-CG1 4.04Å; T759-I763 PolarHBondContact O-N 3.14Å; T760-I763 PolarHBondContact O-N 3.15Å; I763-T806 CarbonylContact O-C 3.51Å; I763-T806 WeakPolarHBondContact O-CA 3.36Å; I763-F807 HydrophobicContact CB-CE1 4.09Å; I763-F807 HydrophobicContact CG1-CE1 3.88Å; I763-F807 HydrophobicContact CG1-CZ 4.48Å; I763-F807 HydrophobicContact CG2-CE1 3.9Å; I763-F807 HydrophobicContact CG2-CE2 4.5Å; I763-F807 HydrophobicContact CG2-CZ 3.85Å; I763-F807 PolarHBondContact O-N 3.47Å; I763-Y857 HydrophobicContact CD1-CE1 4.29Å; I763-Y857 HydrophobicContact CD1-CE2 4.26Å; I763-V866 HydrophobicContact CB-CB 4.26Å; I763-V866 HydrophobicContact CB-CG1 4.2Å; I763-V866 HydrophobicContact CG2-CB 3.91Å; I763-V866 HydrophobicContact CG2-CG1 4.32Å; I763-V866 WeakPolarHBondContact CG2-O 3.25Å; I763-P870 HydrophobicContact CG2-CG 4.05Å
764	S	88.4	Confident	83.8	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.014	28%	0.278	C	S	.	.	S	Bend	trans	-138.9	87.4	-177.3	178.9	0	0	0	0	111.1	T760 R863 W865	T760-S764 CarbonylContact O-C 3.59Å; T760-S764 PolarHBondContact O-N 3.17Å; S764-R863 PolarHBondContact O-NH1 2.82Å; S764-W865 VanDerWaalsContact OG-CB 3.23Å; S764-W865 WeakPolarHBondContact OG-CB 3.41Å
765	P	79.5	Confident	83.6	Confident	17 Å²	17	47.3 Å²	47.3	11%	0.11	28%	0.277	C	S	.	.			trans	-64.9	142	177.4	28.3	-34.9	0	0	0	111.6	Y792 G805	P765-Y792 HydrophobicContact CB-CD2 4.42Å; P765-Y792 HydrophobicContact CG-CD2 4.13Å; P765-Y792 HydrophobicContact CG-CE2 4.11Å; P765-Y792 WeakPolarHBondContact O-CB 3.48Å; P765-G805 WeakPolarHBondContact CD-O 3.35Å; P765-G805 WeakPolarHBondContact CG-O 3.05Å
766	A	71.1	Confident	83.7	Confident	28 Å²	28	45.8 Å²	45.8	23%	0.231	26%	0.262	C	S	.	.			trans	-103.3	-17	-179.5	0	0	0	0	0	114.5	Y792 G793	A766-Y792 PolarHBondContact O-N 2.94Å; A766-G793 PolarHBondContact O-N 2.84Å
767	G	68.8	Low	83.9	Confident	45 Å²	45	45.7 Å²	45.7	46%	0.464	26%	0.257	S	S	.	.	S	Bend	trans	-75.6	-161.4	-174	0	0	0	0	0	115.4	Y792	G767-Y792 WeakPolarHBondContact O-CD2 3.34Å; G767-Y792 PolarHBondContact O-N 2.82Å
768	S	73.1	Confident	84.5	Confident	111 Å²	111	40.4 Å²	40.4	78%	0.776	23%	0.233	S	C	*	.	B	Isolated β-bridge	trans	-61.2	143.3	-177.6	-49	0	0	0	0	113.5	S770	S768-S770 PolarHBondContact O-N 2.9Å
769	I	77.1	Confident	84.9	Confident	13 Å²	13	39.9 Å²	39.9	7%	0.067	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-79.2	119.3	179.7	-58	178.6	0	0	0	110.2	A775 A776 L779 F789 Y792 R795 V801	I769-A775 HydrophobicContact CG2-CB 3.88Å; I769-A776 HydrophobicContact CG2-CB 4.23Å; I769-L779 HydrophobicContact CD1-CD1 3.62Å; I769-F789 HydrophobicContact CB-CB 4.31Å; I769-F789 HydrophobicContact CB-CD2 4.35Å; I769-F789 HydrophobicContact CD1-CB 4.48Å; I769-F789 HydrophobicContact CG2-CD2 4.3Å; I769-Y792 HydrophobicContact CB-CE2 4.42Å; I769-Y792 HydrophobicContact CD1-CD1 4.15Å; I769-Y792 HydrophobicContact CD1-CE1 4.23Å; I769-Y792 HydrophobicContact CG1-CD1 3.96Å; I769-Y792 HydrophobicContact CG1-CD2 3.95Å; I769-Y792 HydrophobicContact CG1-CE1 3.96Å; I769-Y792 HydrophobicContact CG1-CE2 3.98Å; I769-Y792 HydrophobicContact CG1-CG 3.95Å; I769-R795 HydrophobicContact CD1-CG 4.22Å; I769-V801 HydrophobicContact CD1-CG1 4.09Å
770	S	79.1	Confident	85.6	Confident	56 Å²	56	42.2 Å²	42.2	39%	0.392	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-65.6	133.5	178.7	175.5	0	0	0	0	111.9	S768 V772 S773 A776	S768-S770 PolarHBondContact O-N 2.9Å; S770-V772 PolarHBondContact O-N 2.91Å; S770-S773 VanDerWaalsContact O-CB 3.31Å; S770-S773 WeakPolarHBondContact O-CB 3.46Å; S770-S773 PolarHBondContact O-N 3.35Å; S770-S773 PolarHBondContact O-OG 3.2Å; S770-A776 WeakPolarHBondContact O-CB 3.12Å
771	R	84.1	Confident	86.3	Confident	164 Å²	164	46.2 Å²	46.2	62%	0.619	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-22.6	-175.3	-64.9	-175.4	-178.2	179.6	2.2	115.1	A776 P786	R771-A776 WeakPolarHBondContact O-CB 3.22Å; R771-P786 HydrophobicContact CG-CB 4.31Å
772	V	86.7	Confident	87.3	Confident	112 Å²	112	46.9 Å²	46.9	68%	0.679	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	-1.4	-178.9	-62.6	0	0	0	0	113.7	S770 K777	S770-V772 PolarHBondContact O-N 2.91Å; V772-K777 WeakPolarHBondContact O-CE 3.29Å
773	S	88.6	Confident	87.7	Confident	14 Å²	14	56.1 Å²	56.1	10%	0.098	30%	0.299	C	S	.	.	S	Bend	trans	-74	158.4	-177.2	66.8	0	0	0	0	113.5	S770 A775 A776 K777	S770-S773 VanDerWaalsContact O-CB 3.31Å; S770-S773 WeakPolarHBondContact O-CB 3.46Å; S770-S773 PolarHBondContact O-N 3.35Å; S770-S773 PolarHBondContact O-OG 3.2Å; S773-A775 PolarHBondContact O-N 3.46Å; S773-A776 PolarHBondContact O-N 2.83Å; S773-A776 VanDerWaalsContact O-N 3.09Å; S773-A776 PolarHBondContact OG-N 3.39Å; S773-A776 VanDerWaalsContact OG-N 3.14Å; S773-K777 WeakPolarHBondContact O-CG 3.36Å; S773-K777 PolarHBondContact O-N 2.81Å
774	A	94.6	Very high	87.7	Confident	9 Å²	9	57.8 Å²	57.8	7%	0.074	31%	0.308	C	S	.	.	H	α-helix	trans	-53.9	-36.4	170.8	0	0	0	0	0	112.8	K777 Y778 R804 F836	A774-K777 PolarHBondContact O-N 3.19Å; A774-Y778 PolarHBondContact O-N 3.4Å; A774-R804 HydrophobicContact CB-CB 4.13Å; A774-R804 HydrophobicContact CB-CG 4.21Å; A774-F836 HydrophobicContact CB-CB 4.19Å; A774-F836 HydrophobicContact CB-CD1 4.01Å; A774-F836 HydrophobicContact CB-CG 4.34Å
775	A	94.6	Very high	87.8	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-42	176.1	0	0	0	0	0	112.3	I769 S773 Y778 L779 Y792 V801 R804	I769-A775 HydrophobicContact CG2-CB 3.88Å; S773-A775 PolarHBondContact O-N 3.46Å; A775-Y778 PolarHBondContact O-N 2.79Å; A775-L779 WeakPolarHBondContact O-CG 3.27Å; A775-L779 PolarHBondContact O-N 2.61Å; A775-Y792 HydrophobicContact CB-CE1 3.69Å; A775-V801 HydrophobicContact CB-CG1 4.37Å; A775-R804 HydrophobicContact CB-CB 3.97Å
776	A	93.3	Very high	87.7	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-62.9	-44.4	173.2	0	0	0	0	0	112.2	I769 S770 R771 S773 Y778 L779 Q780 F789	I769-A776 HydrophobicContact CG2-CB 4.23Å; S770-A776 WeakPolarHBondContact O-CB 3.12Å; R771-A776 WeakPolarHBondContact O-CB 3.22Å; S773-A776 PolarHBondContact O-N 2.83Å; S773-A776 VanDerWaalsContact O-N 3.09Å; S773-A776 PolarHBondContact OG-N 3.39Å; S773-A776 VanDerWaalsContact OG-N 3.14Å; A776-Y778 PolarHBondContact O-N 3.37Å; A776-L779 PolarHBondContact O-N 3.07Å; A776-Q780 WeakPolarHBondContact O-CB 3.27Å; A776-Q780 VanDerWaalsContact O-CG 3.27Å; A776-Q780 WeakPolarHBondContact O-CG 3.16Å; A776-Q780 PolarHBondContact O-N 2.85Å; A776-F789 HydrophobicContact CB-CD2 4.23Å; A776-F789 HydrophobicContact CB-CE2 3.46Å; A776-F789 VanDerWaalsContact CB-CE2 3.46Å; A776-F789 HydrophobicContact CB-CZ 3.84Å
777	K	95.8	Very high	87.9	Confident	88 Å²	88	71 Å²	71	38%	0.383	37%	0.365	S	S	.	.	H	α-helix	trans	-56	-40.5	174.9	-61.9	171.6	-155.7	168.3	0	111.3	V772 S773 A774 S781 D834 E837	V772-K777 WeakPolarHBondContact O-CE 3.29Å; S773-K777 WeakPolarHBondContact O-CG 3.36Å; S773-K777 PolarHBondContact O-N 2.81Å; A774-K777 PolarHBondContact O-N 3.19Å; K777-S781 PolarHBondContact O-N 2.58Å; K777-S781 VanDerWaalsContact O-N 3.09Å; K777-D834 IonicContact NZ-OD2 2.66Å; K777-D834 PolarHBondContact NZ-OD2 3.16Å; K777-D834 VanDerWaalsContact NZ-OD2 3.09Å; K777-E837 IonicContact NZ-OE1 2.9Å; K777-E837 PolarHBondContact NZ-OE1 3.01Å; K777-E837 IonicContact NZ-OE2 2.63Å
778	Y	96.9	Very high	88.5	Confident	24 Å²	24	73.4 Å²	73.4	9%	0.094	36%	0.364	C	S	.	.	H	α-helix	trans	-67.6	-45.6	175.2	172.5	-95.1	0	0	0	113.1	A774 A775 A776 Q780 S781 K782 A800 V801	A774-Y778 PolarHBondContact O-N 3.4Å; A775-Y778 PolarHBondContact O-N 2.79Å; A776-Y778 PolarHBondContact O-N 3.37Å; Y778-Q780 VanDerWaalsContact C-N 3.32Å; Y778-Q780 PolarHBondContact O-N 3.08Å; Y778-S781 PolarHBondContact O-N 2.78Å; Y778-S781 PolarHBondContact O-OG 3.04Å; Y778-K782 HydrophobicContact CE1-CG 4.36Å; Y778-K782 PolarHBondContact O-N 2.96Å; Y778-A800 HydrophobicContact CE1-CB 4.21Å; Y778-A800 HydrophobicContact CE2-CB 4.02Å; Y778-V801 HydrophobicContact CD1-CG2 3.76Å; Y778-V801 HydrophobicContact CE1-CG2 3.71Å
779	L	96.1	Very high	88.9	Confident	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.5	-35.6	179	-66.4	166.6	0	0	0	111.5	I769 A775 A776 K782 R783 L784 F789 V801	I769-L779 HydrophobicContact CD1-CD1 3.62Å; A775-L779 WeakPolarHBondContact O-CG 3.27Å; A775-L779 PolarHBondContact O-N 2.61Å; A776-L779 PolarHBondContact O-N 3.07Å; L779-K782 CarbonylContact O-C 3.58Å; L779-K782 WeakPolarHBondContact O-CA 3.15Å; L779-K782 WeakPolarHBondContact O-CB 3.13Å; L779-K782 PolarHBondContact O-N 3.41Å; L779-K782 VanDerWaalsContact O-N 3.15Å; L779-R783 PolarHBondContact O-N 2.89Å; L779-L784 HydrophobicContact CB-CB 4.4Å; L779-L784 HydrophobicContact CB-CD1 4.24Å; L779-L784 HydrophobicContact CD2-CD1 3.73Å; L779-L784 WeakPolarHBondContact O-CB 3.4Å; L779-L784 PolarHBondContact O-N 3.47Å; L779-F789 HydrophobicContact CB-CD1 3.72Å; L779-F789 HydrophobicContact CB-CE1 3.77Å; L779-F789 HydrophobicContact CD1-CB 4.02Å; L779-F789 HydrophobicContact CD1-CD1 3.93Å; L779-F789 HydrophobicContact CD1-CG 3.99Å; L779-F789 HydrophobicContact CG-CD1 4.47Å; L779-V801 HydrophobicContact CD2-CG2 3.88Å; L779-V801 HydrophobicContact CG-CG2 4.34Å
780	Q	95.6	Very high	88.9	Confident	90 Å²	90	68.9 Å²	68.9	42%	0.421	33%	0.331	S	S	.	.	H	α-helix	trans	-64.2	-39.3	171.9	-73.2	168.5	-24.6	0	0	112.6	A776 Y778 K782 R783 F789	A776-Q780 WeakPolarHBondContact O-CB 3.27Å; A776-Q780 VanDerWaalsContact O-CG 3.27Å; A776-Q780 WeakPolarHBondContact O-CG 3.16Å; A776-Q780 PolarHBondContact O-N 2.85Å; Y778-Q780 VanDerWaalsContact C-N 3.32Å; Y778-Q780 PolarHBondContact O-N 3.08Å; Q780-K782 PolarHBondContact O-N 3.15Å; Q780-R783 WeakPolarHBondContact O-CA 3.02Å; Q780-R783 PolarHBondContact O-N 3.07Å; Q780-F789 HydrophobicContact CG-CE1 4.03Å; Q780-F789 HydrophobicContact CG-CZ 3.76Å
781	S	96.1	Very high	88.8	Confident	88 Å²	88	67 Å²	67	62%	0.615	32%	0.318	S	S	*	.	H	α-helix	trans	-67.3	-21.1	174.5	79.6	0	0	0	0	112.8	K777 Y778 R783	K777-S781 PolarHBondContact O-N 2.58Å; K777-S781 VanDerWaalsContact O-N 3.09Å; Y778-S781 PolarHBondContact O-N 2.78Å; Y778-S781 PolarHBondContact O-OG 3.04Å; S781-R783 VanDerWaalsContact C-N 3.27Å
782	K	95.4	Very high	88.6	Confident	85 Å²	85	59.6 Å²	59.6	37%	0.37	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	11.4	167.2	-60.4	-63.7	-175.9	172.1	0	114	T724 Y778 L779 Q780 L784	T724-K782 HydrophobicContact CG2-CB 3.99Å; T724-K782 HydrophobicContact CG2-CG 4.15Å; Y778-K782 HydrophobicContact CE1-CG 4.36Å; Y778-K782 PolarHBondContact O-N 2.96Å; L779-K782 CarbonylContact O-C 3.58Å; L779-K782 WeakPolarHBondContact O-CA 3.15Å; L779-K782 WeakPolarHBondContact O-CB 3.13Å; L779-K782 PolarHBondContact O-N 3.41Å; L779-K782 VanDerWaalsContact O-N 3.15Å; Q780-K782 PolarHBondContact O-N 3.15Å; K782-L784 VanDerWaalsContact C-N 3.3Å; K782-L784 PolarHBondContact O-N 2.89Å
783	R	94.8	Very high	88.2	Confident	232 Å²	232	54.3 Å²	54.3	88%	0.875	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	20	179	-51.7	-178.4	179.1	-173.6	-0.6	115.4	L779 Q780 S781	L779-R783 PolarHBondContact O-N 2.89Å; Q780-R783 WeakPolarHBondContact O-CA 3.02Å; Q780-R783 PolarHBondContact O-N 3.07Å; S781-R783 VanDerWaalsContact C-N 3.27Å
784	L	92.6	Very high	87.8	Confident	35 Å²	35	53.8 Å²	53.8	18%	0.183	26%	0.255	C	S	.	.			trans	-83.9	139.2	173.6	-61.4	173.5	0	0	0	111.4	T724 L779 K782 E788 F789	T724-L784 HydrophobicContact CG2-CD1 4Å; L779-L784 HydrophobicContact CB-CB 4.4Å; L779-L784 HydrophobicContact CB-CD1 4.24Å; L779-L784 HydrophobicContact CD2-CD1 3.73Å; L779-L784 WeakPolarHBondContact O-CB 3.4Å; L779-L784 PolarHBondContact O-N 3.47Å; K782-L784 VanDerWaalsContact C-N 3.3Å; K782-L784 PolarHBondContact O-N 2.89Å; L784-E788 HydrophobicContact CB-CB 4.3Å; L784-E788 HydrophobicContact CD2-CB 4.14Å; L784-F789 HydrophobicContact CB-CD1 4.43Å
785	T	90	Very high	87.6	Confident	68 Å²	68	53.5 Å²	53.5	42%	0.417	25%	0.252	S	S	.	.			trans	-80.2	161.6	172	70.7	0	0	0	0	111.4	R787 E788 F789	T785-R787 PolarHBondContact O-N 3.43Å; T785-E788 WeakPolarHBondContact CA-OE2 3.31Å; T785-E788 VanDerWaalsContact CB-OE2 3.23Å; T785-E788 WeakPolarHBondContact CB-OE2 3.27Å; T785-E788 WeakPolarHBondContact CG2-OE2 3.41Å; T785-E788 PolarHBondContact N-OE2 2.86Å; T785-E788 PolarHBondContact O-N 2.98Å; T785-E788 PolarHBondContact OG1-OE2 3.45Å; T785-F789 WeakPolarHBondContact O-CD1 3.35Å; T785-F789 WeakPolarHBondContact O-CE1 3.38Å; T785-F789 PolarHBondContact O-N 3.16Å
786	P	78.1	Confident	87.4	Confident	59 Å²	59	54.2 Å²	54.2	38%	0.383	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.7	177.1	-27.7	36.6	0	0	0	115.8	R771 F789	R771-P786 HydrophobicContact CG-CB 4.31Å; P786-F789 HydrophobicContact CB-CD2 4.37Å; P786-F789 HydrophobicContact CB-CE2 4.04Å; P786-F789 HydrophobicContact CB-CZ 4.25Å; P786-F789 HydrophobicContact CG-CE2 4.29Å; P786-F789 HydrophobicContact CG-CZ 4.1Å
787	R	74.1	Confident	87.4	Confident	199 Å²	199	54.3 Å²	54.3	75%	0.751	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-27.5	174.8	-170.4	177.1	-177.9	-175.3	0	111.9	T785	T785-R787 PolarHBondContact O-N 3.43Å
788	E	82.9	Confident	87.4	Confident	94 Å²	94	50.1 Å²	50.1	44%	0.439	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-4.9	-177.1	-63	159.2	125.6	0	0	112.8	L784 T785 N790 R795	L784-E788 HydrophobicContact CB-CB 4.3Å; L784-E788 HydrophobicContact CD2-CB 4.14Å; T785-E788 WeakPolarHBondContact CA-OE2 3.31Å; T785-E788 VanDerWaalsContact CB-OE2 3.23Å; T785-E788 WeakPolarHBondContact CB-OE2 3.27Å; T785-E788 WeakPolarHBondContact CG2-OE2 3.41Å; T785-E788 PolarHBondContact N-OE2 2.86Å; T785-E788 PolarHBondContact O-N 2.98Å; T785-E788 PolarHBondContact OG1-OE2 3.45Å; E788-N790 PolarHBondContact O-N 3.07Å; E788-R795 PolarHBondContact O-NH2 2.86Å
789	F	80.6	Confident	87.3	Confident	4 Å²	4	50 Å²	50	2%	0.018	24%	0.238	C	C	.	.			trans	-57.9	-35.7	178.5	-69.8	-5.3	0	0	0	112.8	I769 A776 L779 Q780 L784 T785 P786 R795	I769-F789 HydrophobicContact CB-CB 4.31Å; I769-F789 HydrophobicContact CB-CD2 4.35Å; I769-F789 HydrophobicContact CD1-CB 4.48Å; I769-F789 HydrophobicContact CG2-CD2 4.3Å; A776-F789 HydrophobicContact CB-CD2 4.23Å; A776-F789 HydrophobicContact CB-CE2 3.46Å; A776-F789 VanDerWaalsContact CB-CE2 3.46Å; A776-F789 HydrophobicContact CB-CZ 3.84Å; L779-F789 HydrophobicContact CB-CD1 3.72Å; L779-F789 HydrophobicContact CB-CE1 3.77Å; L779-F789 HydrophobicContact CD1-CB 4.02Å; L779-F789 HydrophobicContact CD1-CD1 3.93Å; L779-F789 HydrophobicContact CD1-CG 3.99Å; L779-F789 HydrophobicContact CG-CD1 4.47Å; Q780-F789 HydrophobicContact CG-CE1 4.03Å; Q780-F789 HydrophobicContact CG-CZ 3.76Å; L784-F789 HydrophobicContact CB-CD1 4.43Å; T785-F789 WeakPolarHBondContact O-CD1 3.35Å; T785-F789 WeakPolarHBondContact O-CE1 3.38Å; T785-F789 PolarHBondContact O-N 3.16Å; P786-F789 HydrophobicContact CB-CD2 4.37Å; P786-F789 HydrophobicContact CB-CE2 4.04Å; P786-F789 HydrophobicContact CB-CZ 4.25Å; P786-F789 HydrophobicContact CG-CE2 4.29Å; P786-F789 HydrophobicContact CG-CZ 4.1Å; F789-R795 PolarHBondContact O-NE 2.85Å; F789-R795 PolarHBondContact O-NH2 2.8Å
790	N	78.1	Confident	87.4	Confident	25 Å²	25	50.4 Å²	50.4	13%	0.134	24%	0.242	C	C	.	.			trans	60.9	-165.5	-171.4	-150.9	-20	0	0	0	111.5	Q132 Y725 E788 A794	Q132-N790 PolarHBondContact NE2-OD1 2.88Å; Y725-N790 PolarHBondContact OH-ND2 3.38Å; Y725-N790 VanDerWaalsContact OH-ND2 3.09Å; E788-N790 PolarHBondContact O-N 3.07Å; N790-A794 HydrophobicContact CB-CB 4.23Å; N790-A794 WeakPolarHBondContact ND2-CB 3.47Å
791	S	76.3	Confident	87.4	Confident	18 Å²	18	46.1 Å²	46.1	13%	0.126	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-86.9	162.3	174.8	69.1	0	0	0	0	112.4	G793 A794 R795	S791-G793 VanDerWaalsContact C-N 3.26Å; S791-G793 PolarHBondContact O-N 3.05Å; S791-G793 PolarHBondContact OG-N 2.81Å; S791-A794 PolarHBondContact O-N 3.4Å; S791-A794 PolarHBondContact OG-N 3.41Å; S791-R795 VanDerWaalsContact O-CG 3.27Å; S791-R795 WeakPolarHBondContact O-CG 3.32Å; S791-R795 PolarHBondContact O-N 2.95Å
792	Y	80.1	Confident	87.4	Confident	7 Å²	7	42 Å²	42	3%	0.027	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-37.9	166.8	-77.2	-67.9	0	0	0	111.5	P765 A766 G767 I769 A775 A794 R795 R796 V801 M802	P765-Y792 HydrophobicContact CB-CD2 4.42Å; P765-Y792 HydrophobicContact CG-CD2 4.13Å; P765-Y792 HydrophobicContact CG-CE2 4.11Å; P765-Y792 WeakPolarHBondContact O-CB 3.48Å; A766-Y792 PolarHBondContact O-N 2.94Å; G767-Y792 WeakPolarHBondContact O-CD2 3.34Å; G767-Y792 PolarHBondContact O-N 2.82Å; I769-Y792 HydrophobicContact CB-CE2 4.42Å; I769-Y792 HydrophobicContact CD1-CD1 4.15Å; I769-Y792 HydrophobicContact CD1-CE1 4.23Å; I769-Y792 HydrophobicContact CG1-CD1 3.96Å; I769-Y792 HydrophobicContact CG1-CD2 3.95Å; I769-Y792 HydrophobicContact CG1-CE1 3.96Å; I769-Y792 HydrophobicContact CG1-CE2 3.98Å; I769-Y792 HydrophobicContact CG1-CG 3.95Å; A775-Y792 HydrophobicContact CB-CE1 3.69Å; Y792-A794 VanDerWaalsContact C-N 3.34Å; Y792-A794 PolarHBondContact O-N 2.89Å; Y792-R795 PolarHBondContact O-N 2.62Å; Y792-R796 PolarHBondContact O-N 2.89Å; Y792-V801 HydrophobicContact CD1-CG1 4.21Å; Y792-V801 HydrophobicContact CE1-CG1 4.33Å; Y792-M802 HydrophobicContact CD1-SD 4.24Å
793	G	77.8	Confident	87.5	Confident	2 Å²	2	38.4 Å²	38.4	2%	0.021	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-55.1	-45.4	175.3	0	0	0	0	0	113.2	A766 S791 R795 R796	A766-G793 PolarHBondContact O-N 2.84Å; S791-G793 VanDerWaalsContact C-N 3.26Å; S791-G793 PolarHBondContact O-N 3.05Å; S791-G793 PolarHBondContact OG-N 2.81Å; G793-R795 PolarHBondContact O-N 2.84Å; G793-R796 WeakPolarHBondContact O-CG 3.23Å; G793-R796 PolarHBondContact O-N 2.78Å
794	A	80.2	Confident	87.6	Confident	3 Å²	3	30.3 Å²	30.3	3%	0.025	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-68.5	-17.2	176.8	0	0	0	0	0	113.7	Y725 N790 S791 Y792	Y725-A794 VanDerWaalsContact CD1-O 3.29Å; Y725-A794 WeakPolarHBondContact CD1-O 3.48Å; Y725-A794 HydrophobicContact CE1-CB 4.38Å; N790-A794 HydrophobicContact CB-CB 4.23Å; N790-A794 WeakPolarHBondContact ND2-CB 3.47Å; S791-A794 PolarHBondContact O-N 3.4Å; S791-A794 PolarHBondContact OG-N 3.41Å; Y792-A794 VanDerWaalsContact C-N 3.34Å; Y792-A794 PolarHBondContact O-N 2.89Å
795	R	90.2	Very high	87.7	Confident	3 Å²	3	28.7 Å²	28.7	1%	0.011	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-100	10	-177.2	-62.3	-70.7	-177.9	-174.2	-3.2	113.6	T724 Y725 I769 E788 F789 S791 Y792 G793 G797 N798 V801 M802	T724-R795 VanDerWaalsContact C-NH1 3.25Å; T724-R795 WeakPolarHBondContact O-CD 3.32Å; T724-R795 PolarHBondContact O-NH1 2.84Å; T724-R795 PolarHBondContact OG1-NH1 3.37Å; Y725-R795 VanDerWaalsContact CZ-CZ 3.49Å; I769-R795 HydrophobicContact CD1-CG 4.22Å; E788-R795 PolarHBondContact O-NH2 2.86Å; F789-R795 PolarHBondContact O-NE 2.85Å; F789-R795 PolarHBondContact O-NH2 2.8Å; S791-R795 VanDerWaalsContact O-CG 3.27Å; S791-R795 WeakPolarHBondContact O-CG 3.32Å; S791-R795 PolarHBondContact O-N 2.95Å; Y792-R795 PolarHBondContact O-N 2.62Å; G793-R795 PolarHBondContact O-N 2.84Å; R795-G797 PolarHBondContact O-N 2.61Å; R795-G797 VanDerWaalsContact O-N 3.16Å; R795-N798 WeakPolarHBondContact O-CB 3.47Å; R795-N798 PolarHBondContact O-N 3.31Å; R795-V801 HydrophobicContact CB-CB 4.18Å; R795-V801 HydrophobicContact CB-CG1 3.66Å; R795-V801 HydrophobicContact CG-CG1 4.05Å; R795-M802 HydrophobicContact CB-SD 4.4Å
796	R	89.6	Confident	88.1	Confident	15 Å²	15	25.5 Å²	25.5	6%	0.057	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.5	-175.7	-77.3	175.6	169.2	-173.5	-1.6	116.3	F91 T92 P95 Y792 G793 N798 M802 D864 W865	F91-R796 WeakPolarHBondContact O-CD 3.3Å; F91-R796 PolarHBondContact O-NH1 2.82Å; T92-R796 VanDerWaalsContact CG2-NH1 3.34Å; P95-R796 HydrophobicContact CG-CB 4.1Å; Y792-R796 PolarHBondContact O-N 2.89Å; G793-R796 WeakPolarHBondContact O-CG 3.23Å; G793-R796 PolarHBondContact O-N 2.78Å; R796-N798 PolarHBondContact O-N 3.38Å; R796-M802 HydrophobicContact CG-CE 3.96Å; R796-M802 HydrophobicContact CG-SD 4.13Å; R796-D864 IonicContact CZ-OD1 3.3Å; R796-D864 IonicContact NE-OD1 3.72Å; R796-W865 PolarHBondContact O-NE1 3.16Å
797	G	93.3	Very high	89	Confident	2 Å²	2	22.7 Å²	22.7	2%	0.021	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1.6	171	0	0	0	0	0	114.4	I94 Y725 I726 R727 R795	I94-G797 VanDerWaalsContact CG2-CA 3.42Å; Y725-G797 CarbonylContact O-C 3.44Å; Y725-G797 VanDerWaalsContact O-CA 3.27Å; Y725-G797 WeakPolarHBondContact O-CA 3.2Å; I726-G797 CarbonylContact C-O 3.56Å; I726-G797 WeakPolarHBondContact CA-O 3.47Å; R727-G797 PolarHBondContact N-O 2.73Å; R795-G797 PolarHBondContact O-N 2.61Å; R795-G797 VanDerWaalsContact O-N 3.16Å
798	N	96.5	Very high	89.8	Confident	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.075	C	C	.	.			trans	-118.8	97.3	-177.4	179.9	-27.4	0	0	0	110.3	T724 Y725 R727 R795 R796 A800 V801 M802	T724-N798 VanDerWaalsContact C-ND2 3.26Å; T724-N798 PolarHBondContact O-ND2 3.18Å; Y725-N798 PolarHBondContact O-N 2.85Å; R727-N798 VanDerWaalsContact CD-CG 3.43Å; R727-N798 VanDerWaalsContact CD-OD1 3.24Å; R727-N798 WeakPolarHBondContact CD-OD1 3.24Å; R795-N798 WeakPolarHBondContact O-CB 3.47Å; R795-N798 PolarHBondContact O-N 3.31Å; R796-N798 PolarHBondContact O-N 3.38Å; N798-A800 PolarHBondContact O-N 3.35Å; N798-A800 WeakPolarHBondContact OD1-CB 3.31Å; N798-A800 PolarHBondContact OD1-N 3.47Å; N798-A800 VanDerWaalsContact OD1-N 3.1Å; N798-V801 HydrophobicContact CB-CB 4.31Å; N798-V801 HydrophobicContact CB-CG2 4.31Å; N798-V801 WeakPolarHBondContact ND2-CG2 3.14Å; N798-V801 PolarHBondContact O-N 2.74Å; N798-V801 VanDerWaalsContact O-N 3.13Å; N798-V801 PolarHBondContact OD1-N 3.03Å; N798-M802 WeakPolarHBondContact O-CG 3.19Å; N798-M802 PolarHBondContact O-N 3.36Å
799	D	95.8	Very high	90	Very high	21 Å²	21	10.6 Å²	10.6	11%	0.112	6%	0.059	C	C	.	.	H	α-helix	trans	-48.6	-43.9	176.9	74.3	-55	0	0	0	113.3	R727 P729 V801 M802 T803 W865 L872	R727-D799 IonicContact CZ-OD1 2.61Å; R727-D799 IonicContact NE-OD1 3.95Å; R727-D799 PolarHBondContact NE-OD1 2.88Å; R727-D799 IonicContact NH2-OD1 3.07Å; P729-D799 HydrophobicContact CB-CB 4.32Å; D799-V801 VanDerWaalsContact C-N 3.34Å; D799-V801 PolarHBondContact O-N 3.14Å; D799-M802 PolarHBondContact O-N 3.28Å; D799-T803 WeakPolarHBondContact O-CB 3.44Å; D799-T803 PolarHBondContact O-N 2.95Å; D799-T803 PolarHBondContact O-OG1 2.62Å; D799-W865 HydrophobicContact CB-CH2 4.09Å; D799-L872 HydrophobicContact CB-CD1 4.15Å
800	A	96.5	Very high	90	Very high	8 Å²	8	16.3 Å²	16.3	7%	0.066	9%	0.089	C	C	.	.	H	α-helix	trans	-68.4	-32.5	-175.5	0	0	0	0	0	112.2	Y778 N798 R804	Y778-A800 HydrophobicContact CE1-CB 4.21Å; Y778-A800 HydrophobicContact CE2-CB 4.02Å; N798-A800 PolarHBondContact O-N 3.35Å; N798-A800 WeakPolarHBondContact OD1-CB 3.31Å; N798-A800 PolarHBondContact OD1-N 3.47Å; N798-A800 VanDerWaalsContact OD1-N 3.1Å; A800-R804 WeakPolarHBondContact O-CD 3.48Å; A800-R804 VanDerWaalsContact O-CG 3.24Å; A800-R804 WeakPolarHBondContact O-CG 3.34Å; A800-R804 PolarHBondContact O-NH1 2.9Å
801	V	96.8	Very high	90.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-76.9	-45.2	173.8	174.3	0	0	0	0	110.6	I769 A775 Y778 L779 Y792 R795 N798 D799 R804 G805	I769-V801 HydrophobicContact CD1-CG1 4.09Å; A775-V801 HydrophobicContact CB-CG1 4.37Å; Y778-V801 HydrophobicContact CD1-CG2 3.76Å; Y778-V801 HydrophobicContact CE1-CG2 3.71Å; L779-V801 HydrophobicContact CD2-CG2 3.88Å; L779-V801 HydrophobicContact CG-CG2 4.34Å; Y792-V801 HydrophobicContact CD1-CG1 4.21Å; Y792-V801 HydrophobicContact CE1-CG1 4.33Å; R795-V801 HydrophobicContact CB-CB 4.18Å; R795-V801 HydrophobicContact CB-CG1 3.66Å; R795-V801 HydrophobicContact CG-CG1 4.05Å; N798-V801 HydrophobicContact CB-CB 4.31Å; N798-V801 HydrophobicContact CB-CG2 4.31Å; N798-V801 WeakPolarHBondContact ND2-CG2 3.14Å; N798-V801 PolarHBondContact O-N 2.74Å; N798-V801 VanDerWaalsContact O-N 3.13Å; N798-V801 PolarHBondContact OD1-N 3.03Å; D799-V801 VanDerWaalsContact C-N 3.34Å; D799-V801 PolarHBondContact O-N 3.14Å; V801-R804 CarbonylContact O-C 3.59Å; V801-R804 WeakPolarHBondContact O-CB 3.43Å; V801-R804 PolarHBondContact O-N 3.03Å; V801-G805 PolarHBondContact O-N 3.03Å
802	M	96.1	Very high	90.7	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-71.6	-37.4	-174	-64	-53.8	-60.9	0	0	113.3	Y792 R795 R796 N798 D799 R804 G805 T806 W865	Y792-M802 HydrophobicContact CD1-SD 4.24Å; R795-M802 HydrophobicContact CB-SD 4.4Å; R796-M802 HydrophobicContact CG-CE 3.96Å; R796-M802 HydrophobicContact CG-SD 4.13Å; N798-M802 WeakPolarHBondContact O-CG 3.19Å; N798-M802 PolarHBondContact O-N 3.36Å; D799-M802 PolarHBondContact O-N 3.28Å; M802-R804 PolarHBondContact O-N 2.81Å; M802-G805 CarbonylContact O-C 3.57Å; M802-G805 WeakPolarHBondContact O-CA 3.38Å; M802-G805 PolarHBondContact O-N 3.36Å; M802-T806 PolarHBondContact O-N 3.33Å; M802-T806 PolarHBondContact O-OG1 3.08Å; M802-W865 HydrophobicContact CB-CD2 3.3Å; M802-W865 VanDerWaalsContact CB-CE2 3.49Å; M802-W865 HydrophobicContact CB-CE3 3.41Å; M802-W865 VanDerWaalsContact CB-CE3 3.41Å; M802-W865 HydrophobicContact CB-CG 3.9Å; M802-W865 HydrophobicContact CB-CH2 3.96Å; M802-W865 HydrophobicContact CB-CZ2 3.83Å; M802-W865 HydrophobicContact CB-CZ3 3.75Å; M802-W865 HydrophobicContact CE-CB 3.9Å; M802-W865 HydrophobicContact CE-CD2 4.32Å; M802-W865 HydrophobicContact CE-CG 3.69Å; M802-W865 HydrophobicContact CG-CD2 3.81Å; M802-W865 HydrophobicContact CG-CE3 4.41Å; M802-W865 HydrophobicContact CG-CG 4.08Å; M802-W865 HydrophobicContact CG-CZ2 4.12Å
803	T	97.4	Very high	91.3	Very high	10 Å²	10	26.4 Å²	26.4	6%	0.061	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-35.8	171.3	-49.4	0	0	0	0	111.1	D799 G805 T806 F836 L872 L873	D799-T803 WeakPolarHBondContact O-CB 3.44Å; D799-T803 PolarHBondContact O-N 2.95Å; D799-T803 PolarHBondContact O-OG1 2.62Å; T803-G805 VanDerWaalsContact C-N 3.35Å; T803-T806 WeakPolarHBondContact O-CB 3.19Å; T803-T806 PolarHBondContact O-N 3.36Å; T803-F836 HydrophobicContact CG2-CD2 4.07Å; T803-F836 HydrophobicContact CG2-CE2 3.99Å; T803-L872 HydrophobicContact CG2-CB 3.69Å; T803-L872 WeakPolarHBondContact OG1-CB 3.37Å; T803-L872 WeakPolarHBondContact OG1-CD1 3.5Å; T803-L873 HydrophobicContact CG2-CD2 3.78Å; T803-L873 HydrophobicContact CG2-CG 4.09Å
804	R	97.6	Very high	92.2	Very high	61 Å²	61	26.5 Å²	26.5	23%	0.23	13%	0.131	C	C	.	.	H	α-helix	trans	-74.6	-22.2	174	-72.7	173	175.6	73	4	113.9	A774 A775 A800 V801 M802 F836	A774-R804 HydrophobicContact CB-CB 4.13Å; A774-R804 HydrophobicContact CB-CG 4.21Å; A775-R804 HydrophobicContact CB-CB 3.97Å; A800-R804 WeakPolarHBondContact O-CD 3.48Å; A800-R804 VanDerWaalsContact O-CG 3.24Å; A800-R804 WeakPolarHBondContact O-CG 3.34Å; A800-R804 PolarHBondContact O-NH1 2.9Å; V801-R804 CarbonylContact O-C 3.59Å; V801-R804 WeakPolarHBondContact O-CB 3.43Å; V801-R804 PolarHBondContact O-N 3.03Å; M802-R804 PolarHBondContact O-N 2.81Å; R804-F836 HydrophobicContact CB-CD2 4.27Å; R804-F836 HydrophobicContact CB-CG 4.29Å; R804-F836 HydrophobicContact CG-CD1 3.74Å; R804-F836 HydrophobicContact CG-CD2 3.58Å; R804-F836 HydrophobicContact CG-CE1 3.78Å; R804-F836 HydrophobicContact CG-CE2 3.61Å; R804-F836 HydrophobicContact CG-CG 3.66Å; R804-F836 HydrophobicContact CG-CZ 3.72Å
805	G	94.6	Very high	93	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.021	15%	0.149	C	C	.	.	H	α-helix	trans	-84.7	-15.7	171.4	0	0	0	0	0	113.9	P765 V801 M802 T803 F807 A808	P765-G805 WeakPolarHBondContact CD-O 3.35Å; P765-G805 WeakPolarHBondContact CG-O 3.05Å; V801-G805 PolarHBondContact O-N 3.03Å; M802-G805 CarbonylContact O-C 3.57Å; M802-G805 WeakPolarHBondContact O-CA 3.38Å; M802-G805 PolarHBondContact O-N 3.36Å; T803-G805 VanDerWaalsContact C-N 3.35Å; G805-F807 PolarHBondContact O-N 2.9Å; G805-A808 WeakPolarHBondContact O-CB 3.5Å; G805-A808 PolarHBondContact O-N 3Å
806	T	97.8	Very high	93.3	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	127.4	-178.6	-55.4	0	0	0	0	109.6	I763 M802 T803 A808 G869 P870 L873	I763-T806 CarbonylContact O-C 3.51Å; I763-T806 WeakPolarHBondContact O-CA 3.36Å; M802-T806 PolarHBondContact O-N 3.33Å; M802-T806 PolarHBondContact O-OG1 3.08Å; T803-T806 WeakPolarHBondContact O-CB 3.19Å; T803-T806 PolarHBondContact O-N 3.36Å; T806-A808 PolarHBondContact O-N 3.18Å; T806-G869 WeakPolarHBondContact OG1-CA 3.45Å; T806-P870 HydrophobicContact CG2-CG 4.04Å; T806-L873 HydrophobicContact CG2-CD1 3.55Å; T806-L873 HydrophobicContact CG2-CG 4.34Å
807	F	96.9	Very high	93.6	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	20.3	-169.5	-58.6	-69.6	0	0	0	114.7	L752 L754 H762 I763 G805 S809 L812 V835 I851 P870 L873	L752-F807 HydrophobicContact CD1-CB 4.06Å; L752-F807 HydrophobicContact CD1-CD1 3.47Å; L752-F807 VanDerWaalsContact CD1-CD1 3.47Å; L752-F807 HydrophobicContact CD1-CD2 3.49Å; L752-F807 VanDerWaalsContact CD1-CD2 3.49Å; L752-F807 HydrophobicContact CD1-CE1 3.65Å; L752-F807 HydrophobicContact CD1-CE2 3.69Å; L752-F807 HydrophobicContact CD1-CG 3.39Å; L752-F807 HydrophobicContact CD1-CZ 3.77Å; L754-F807 HydrophobicContact CD1-CE1 4.31Å; H762-F807 WeakPolarHBondContact O-CA 3.28Å; I763-F807 HydrophobicContact CB-CE1 4.09Å; I763-F807 HydrophobicContact CG1-CE1 3.88Å; I763-F807 HydrophobicContact CG1-CZ 4.48Å; I763-F807 HydrophobicContact CG2-CE1 3.9Å; I763-F807 HydrophobicContact CG2-CE2 4.5Å; I763-F807 HydrophobicContact CG2-CZ 3.85Å; I763-F807 PolarHBondContact O-N 3.47Å; G805-F807 PolarHBondContact O-N 2.9Å; F807-S809 PolarHBondContact O-N 3.24Å; F807-L812 HydrophobicContact CB-CD2 3.89Å; F807-L812 HydrophobicContact CD1-CD1 4.12Å; F807-L812 HydrophobicContact CD1-CD2 4.37Å; F807-V835 HydrophobicContact CB-CB 4.1Å; F807-V835 HydrophobicContact CB-CG1 3.96Å; F807-V835 HydrophobicContact CB-CG2 4Å; F807-V835 HydrophobicContact CD2-CG1 4.22Å; F807-V835 HydrophobicContact CG-CG1 4.47Å; F807-I851 HydrophobicContact CE2-CD1 3.65Å; F807-I851 HydrophobicContact CZ-CD1 3.46Å; F807-I851 VanDerWaalsContact CZ-CD1 3.46Å; F807-P870 HydrophobicContact CE2-CB 4.38Å; F807-P870 HydrophobicContact CE2-CG 3.86Å; F807-P870 HydrophobicContact CZ-CG 4.1Å; F807-L873 HydrophobicContact CD2-CD1 3.76Å; F807-L873 HydrophobicContact CE2-CD1 4.19Å
808	A	91.8	Very high	93.3	Very high	22 Å²	22	37.3 Å²	37.3	18%	0.182	20%	0.196	C	C	.	.			trans	-84	11.7	178.6	0	0	0	0	0	114.3	G805 T806 I810	G805-A808 WeakPolarHBondContact O-CB 3.5Å; G805-A808 PolarHBondContact O-N 3Å; T806-A808 PolarHBondContact O-N 3.18Å; A808-I810 PolarHBondContact O-N 2.84Å
809	S	85.5	Confident	92.9	Very high	17 Å²	17	44.4 Å²	44.4	12%	0.119	23%	0.227	C	C	.	.			trans	-69.2	128.8	177.5	-178.2	0	0	0	0	111.7	F807 K811 L812	F807-S809 PolarHBondContact O-N 3.24Å; S809-K811 PolarHBondContact O-N 3.11Å; S809-K811 VanDerWaalsContact O-N 3.12Å; S809-K811 PolarHBondContact OG-N 2.88Å; S809-L812 WeakPolarHBondContact O-CB 3.43Å; S809-L812 PolarHBondContact O-N 3.02Å; S809-L812 VanDerWaalsContact O-N 3.1Å
810	I	82.3	Confident	92.4	Very high	124 Å²	124	46.7 Å²	46.7	64%	0.636	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.1	174.5	64.6	173.8	0	0	0	113.5	A808	A808-I810 PolarHBondContact O-N 2.84Å
811	K	81.4	Confident	91.9	Very high	142 Å²	142	47 Å²	47	62%	0.617	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	0.4	177.4	-59.6	-176.2	-179.6	-179.8	0	113.4	S809 H813	S809-K811 PolarHBondContact O-N 3.11Å; S809-K811 VanDerWaalsContact O-N 3.12Å; S809-K811 PolarHBondContact OG-N 2.88Å; K811-H813 PolarHBondContact O-CE1 2.99Å; K811-H813 PolarHBondContact O-N 2.82Å; K811-H813 PolarHBondContact O-ND1 2.72Å
812	L	87.1	Confident	91.7	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	26%	0.257	C	S	.	.			trans	-63.4	123.6	179.6	-177.8	72.6	0	0	0	110.4	L752 L754 H762 F807 S809 P820 G821 V835	L752-L812 HydrophobicContact CD2-CD2 4.34Å; L754-L812 HydrophobicContact CD2-CD1 3.97Å; L754-L812 HydrophobicContact CD2-CG 4.4Å; H762-L812 HydrophobicContact CB-CD1 4.04Å; F807-L812 HydrophobicContact CB-CD2 3.89Å; F807-L812 HydrophobicContact CD1-CD1 4.12Å; F807-L812 HydrophobicContact CD1-CD2 4.37Å; S809-L812 WeakPolarHBondContact O-CB 3.43Å; S809-L812 PolarHBondContact O-N 3.02Å; S809-L812 VanDerWaalsContact O-N 3.1Å; L812-P820 CarbonylContact O-C 3.48Å; L812-P820 VanDerWaalsContact O-CA 3.29Å; L812-P820 WeakPolarHBondContact O-CA 3.36Å; L812-G821 PolarHBondContact O-N 3.36Å; L812-V835 HydrophobicContact CD2-CG2 4.32Å
813	H	91.8	Very high	91.7	Very high	118 Å²	118	52.4 Å²	52.4	55%	0.546	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-100.1	103.9	175.9	-70.3	77.9	0	0	0	109.8	K811	K811-H813 PolarHBondContact O-CE1 2.99Å; K811-H813 PolarHBondContact O-N 2.82Å; K811-H813 PolarHBondContact O-ND1 2.72Å
814	N	97	Very high	91.8	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.016	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-105.3	119.7	177.3	-177.5	2.6	0	0	0	110.1	L752 F753 L754 F816 I817 G818 K823 T824	L752-N814 HydrophobicContact CD2-CB 4.48Å; L752-N814 WeakPolarHBondContact CD2-ND2 3.22Å; F753-N814 PolarHBondContact N-OD1 3.44Å; F753-N814 PolarHBondContact O-OD1 3.48Å; F753-N814 VanDerWaalsContact O-OD1 3.11Å; L754-N814 HydrophobicContact CD2-CB 4.36Å; N814-F816 PolarHBondContact O-N 3Å; N814-F816 WeakPolarHBondContact OD1-CD2 3.49Å; N814-F816 PolarHBondContact OD1-N 3.03Å; N814-I817 HydrophobicContact CB-CG1 4.34Å; N814-I817 PolarHBondContact O-N 3.14Å; N814-G818 PolarHBondContact O-N 2.99Å; N814-K823 PolarHBondContact ND2-O 3.22Å; N814-T824 VanDerWaalsContact ND2-CA 3.34Å; N814-T824 WeakPolarHBondContact ND2-CA 3.49Å; N814-T824 VanDerWaalsContact ND2-CB 3.28Å; N814-T824 WeakPolarHBondContact ND2-CB 3.36Å; N814-T824 PolarHBondContact ND2-OG1 2.62Å
815	R	96.3	Very high	91.8	Very high	108 Å²	108	50.1 Å²	50.1	41%	0.408	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-27.5	-178.8	-68.4	179.3	55.9	155.7	-0.7	112.8	F753 I817 D908	F753-R815 HydrophobicContact CB-CB 4.23Å; F753-R815 HydrophobicContact CD1-CB 4.09Å; F753-R815 HydrophobicContact CG-CB 4.03Å; F753-R815 VanDerWaalsContact O-CB 3.32Å; F753-R815 WeakPolarHBondContact O-CB 3.49Å; F753-R815 PolarHBondContact O-N 3.37Å; R815-I817 PolarHBondContact O-N 3.23Å; R815-D908 IonicContact CZ-OD1 2.96Å; R815-D908 VanDerWaalsContact CZ-OD1 3.3Å; R815-D908 IonicContact CZ-OD2 3.16Å; R815-D908 VanDerWaalsContact NH1-CG 3.32Å; R815-D908 IonicContact NH1-OD1 3.02Å; R815-D908 PolarHBondContact NH1-OD1 2.89Å; R815-D908 IonicContact NH1-OD2 3.75Å; R815-D908 PolarHBondContact NH1-OD2 2.85Å; R815-D908 IonicContact NH2-OD1 2.8Å; R815-D908 PolarHBondContact NH2-OD1 3.03Å; R815-D908 IonicContact NH2-OD2 2.73Å
816	F	96.9	Very high	91.9	Very high	32 Å²	32	50.4 Å²	50.4	14%	0.14	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-24.5	173.4	-64.7	-45.6	0	0	0	114.1	A750 F753 N814 L825 I827 S913 G914 K915	A750-F816 HydrophobicContact CB-CE2 4.42Å; A750-F816 HydrophobicContact CB-CZ 4.11Å; F753-F816 HydrophobicContact CB-CD1 4.3Å; F753-F816 HydrophobicContact CB-CD2 4.1Å; F753-F816 HydrophobicContact CB-CE1 3.97Å; F753-F816 HydrophobicContact CB-CE2 3.75Å; F753-F816 HydrophobicContact CB-CG 4.36Å; F753-F816 HydrophobicContact CB-CZ 3.68Å; F753-F816 HydrophobicContact CD1-CE1 4.13Å; N814-F816 PolarHBondContact O-N 3Å; N814-F816 WeakPolarHBondContact OD1-CD2 3.49Å; N814-F816 PolarHBondContact OD1-N 3.03Å; F816-L825 HydrophobicContact CB-CB 3.98Å; F816-L825 HydrophobicContact CG-CB 4.31Å; F816-I827 HydrophobicContact CZ-CD1 4.42Å; F816-S913 WeakPolarHBondContact CE1-O 3.18Å; F816-G914 WeakPolarHBondContact CZ-O 3.19Å; F816-K915 HydrophobicContact CE1-CG 4.16Å
817	I	95.8	Very high	91.9	Very high	39 Å²	39	51.9 Å²	51.9	20%	0.2	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-25	-174.2	-54.1	-54.4	0	0	0	111.8	N814 R815 K819 K823 T832	N814-I817 HydrophobicContact CB-CG1 4.34Å; N814-I817 PolarHBondContact O-N 3.14Å; R815-I817 PolarHBondContact O-N 3.23Å; I817-K819 HydrophobicContact CG2-CG 3.97Å; I817-K819 PolarHBondContact O-N 3.37Å; I817-K823 HydrophobicContact CG1-CB 4.41Å; I817-T832 HydrophobicContact CD1-CG2 3.64Å
818	G	87.8	Confident	91.8	Very high	71 Å²	71	55.6 Å²	55.6	73%	0.732	30%	0.298	S	S	*	.	S	Bend	trans	74.8	-24.8	176.9	0	0	0	0	0	115.4	N814	N814-G818 PolarHBondContact O-N 2.99Å
819	K	87.1	Confident	92	Very high	150 Å²	150	57 Å²	57	65%	0.652	31%	0.307	S	S	*	.	S	Bend	trans	-114.3	150.9	174.3	63.1	177.8	178.5	-177.4	0	112.2	I817	I817-K819 HydrophobicContact CG2-CG 3.97Å; I817-K819 PolarHBondContact O-N 3.37Å
820	P	86.2	Confident	92.5	Very high	69 Å²	69	58.8 Å²	58.8	45%	0.448	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-60.2	140.2	175.5	18.8	-28.9	0	0	0	113	L812	L812-P820 CarbonylContact O-C 3.48Å; L812-P820 VanDerWaalsContact O-CA 3.29Å; L812-P820 WeakPolarHBondContact O-CA 3.36Å
821	G	85	Confident	93.2	Very high	14 Å²	14	57.4 Å²	57.4	14%	0.144	32%	0.318	C	S	.	.	S	Bend	trans	158.4	162.9	175.3	0	0	0	0	0	112.8	L812 K823	L812-G821 PolarHBondContact O-N 3.36Å; G821-K823 PolarHBondContact O-N 3.08Å
822	P	93.8	Very high	93.9	Very high	34 Å²	34	54.3 Å²	54.3	22%	0.221	31%	0.311	C	S	.	.	S	Bend	trans	-82.3	48	-172.9	36	-37	0	0	0	112.5	D834 V835	P822-D834 WeakPolarHBondContact O-CA 3.28Å; P822-V835 PolarHBondContact O-N 2.93Å
823	K	96.2	Very high	94.4	Very high	81 Å²	81	55 Å²	55	35%	0.352	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	156.7	-169.6	-62.2	-155.8	-179.8	-106	0	113.3	N814 I817 G821 T832 L833 D834	N814-K823 PolarHBondContact ND2-O 3.22Å; I817-K823 HydrophobicContact CG1-CB 4.41Å; G821-K823 PolarHBondContact O-N 3.08Å; K823-T832 HydrophobicContact CB-CG2 4.07Å; K823-T832 HydrophobicContact CD-CG2 3.94Å; K823-L833 CarbonylContact C-O 3.57Å; K823-L833 WeakPolarHBondContact CA-O 3.38Å; K823-L833 VanDerWaalsContact CB-O 3.28Å; K823-L833 WeakPolarHBondContact CB-O 3.31Å; K823-D834 WeakPolarHBondContact CE-OD1 3.15Å; K823-D834 IonicContact NZ-OD1 3.1Å; K823-D834 PolarHBondContact NZ-OD1 3.13Å
824	T	98.3	Very high	94.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	169.6	173.3	-159.7	0	0	0	0	112.4	L751 N814 T832 L833 A838	L751-T824 HydrophobicContact CD1-CG2 4.17Å; L751-T824 WeakPolarHBondContact O-CB 3.5Å; L751-T824 WeakPolarHBondContact O-CG2 3.45Å; L751-T824 PolarHBondContact O-OG1 2.77Å; N814-T824 VanDerWaalsContact ND2-CA 3.34Å; N814-T824 WeakPolarHBondContact ND2-CA 3.49Å; N814-T824 VanDerWaalsContact ND2-CB 3.28Å; N814-T824 WeakPolarHBondContact ND2-CB 3.36Å; N814-T824 PolarHBondContact ND2-OG1 2.62Å; T824-T832 WeakPolarHBondContact O-CA 3.47Å; T824-L833 PolarHBondContact N-O 2.83Å; T824-L833 PolarHBondContact O-N 2.93Å; T824-A838 HydrophobicContact CG2-CB 3.43Å; T824-A838 VanDerWaalsContact CG2-CB 3.43Å
825	L	97.7	Very high	94.6	Very high	24 Å²	24	50.2 Å²	50.2	13%	0.126	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.8	177	-178.2	66.6	0	0	0	109.5	F816 I827 G830	F816-L825 HydrophobicContact CB-CB 3.98Å; F816-L825 HydrophobicContact CG-CB 4.31Å; L825-I827 PolarHBondContact O-N 3.48Å; L825-I827 VanDerWaalsContact O-N 3.09Å; L825-G830 WeakPolarHBondContact CD1-O 3.48Å
826	H	97.9	Very high	94.7	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.037	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	93.6	165.8	-176.4	-104.7	0	0	0	108.4	S829 G830 Q831 L833 A838 Y842	H826-S829 WeakPolarHBondContact ND1-CB 3.29Å; H826-S829 PolarHBondContact ND1-OG 3.37Å; H826-S829 PolarHBondContact O-N 3.22Å; H826-S829 PolarHBondContact O-OG 3.12Å; H826-G830 PolarHBondContact O-N 3.29Å; H826-Q831 PolarHBondContact N-O 3.14Å; H826-L833 HydrophobicContact CB-CD1 3.91Å; H826-A838 HydrophobicContact CB-CB 4.46Å; H826-Y842 AromaticContact CD2-CD2 3.83Å; H826-Y842 AromaticContact CD2-CE1 3.87Å; H826-Y842 AromaticContact CD2-CE2 3.65Å; H826-Y842 AromaticContact CD2-CZ 3.68Å; H826-Y842 AromaticContact NE2-CD1 3.8Å; H826-Y842 AromaticContact NE2-CE1 3.85Å
827	I	96.3	Very high	94.7	Very high	32 Å²	32	47.5 Å²	47.5	16%	0.164	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-51.9	-46.8	-167.5	-62.4	158.2	0	0	0	112.3	H749 F816 L825 S829 G830 Y842 K915	H749-I827 HydrophobicContact CB-CD1 4.38Å; F816-I827 HydrophobicContact CZ-CD1 4.42Å; L825-I827 PolarHBondContact O-N 3.48Å; L825-I827 VanDerWaalsContact O-N 3.09Å; I827-S829 VanDerWaalsContact C-N 3.25Å; I827-S829 PolarHBondContact O-N 2.93Å; I827-G830 PolarHBondContact O-N 2.94Å; I827-Y842 WeakPolarHBondContact CB-OH 3.35Å; I827-Y842 PolarHBondContact N-OH 3.33Å; I827-K915 HydrophobicContact CG2-CB 4.44Å
828	P	95.3	Very high	94.8	Very high	78 Å²	78	45.7 Å²	45.7	51%	0.506	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-61.6	-28.4	-179.1	-24.7	35.2	0	0	0	114.7	Y842	P828-Y842 HydrophobicContact CG-CE1 3.81Å
829	S	95.8	Very high	95.3	Very high	52 Å²	52	42.3 Å²	42.3	36%	0.364	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-108.7	-4.3	-177.6	75.3	0	0	0	0	114.2	H826 I827 Q831	H826-S829 WeakPolarHBondContact ND1-CB 3.29Å; H826-S829 PolarHBondContact ND1-OG 3.37Å; H826-S829 PolarHBondContact O-N 3.22Å; H826-S829 PolarHBondContact O-OG 3.12Å; I827-S829 VanDerWaalsContact C-N 3.25Å; I827-S829 PolarHBondContact O-N 2.93Å; S829-Q831 PolarHBondContact O-N 3.32Å; S829-Q831 PolarHBondContact OG-N 2.81Å
830	G	95.6	Very high	95.8	Very high	53 Å²	53	37.4 Å²	37.4	55%	0.546	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	7.1	-173.5	0	0	0	0	0	115.6	L825 H826 I827	L825-G830 WeakPolarHBondContact CD1-O 3.48Å; H826-G830 PolarHBondContact O-N 3.29Å; I827-G830 PolarHBondContact O-N 2.94Å
831	Q	96.9	Very high	96.3	Very high	96 Å²	96	38.1 Å²	38.1	45%	0.449	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136.6	-174.4	-69.5	-177.9	-5.2	0	0	111.3	H826 S829 L833	H826-Q831 PolarHBondContact N-O 3.14Å; S829-Q831 PolarHBondContact O-N 3.32Å; S829-Q831 PolarHBondContact OG-N 2.81Å; Q831-L833 HydrophobicContact CB-CD2 4.36Å; Q831-L833 HydrophobicContact CB-CG 4.35Å
832	T	97.3	Very high	96.9	Very high	77 Å²	77	37.4 Å²	37.4	47%	0.472	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	120.8	169.1	-62	0	0	0	0	110	I817 K823 T824	I817-T832 HydrophobicContact CD1-CG2 3.64Å; K823-T832 HydrophobicContact CB-CG2 4.07Å; K823-T832 HydrophobicContact CD-CG2 3.94Å; T824-T832 WeakPolarHBondContact O-CA 3.47Å
833	L	96.4	Very high	97	Very high	17 Å²	17	40.2 Å²	40.2	9%	0.089	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	167.5	-175.9	-58.6	174.4	0	0	0	110.9	K823 T824 H826 Q831 E837 A838 R841	K823-L833 CarbonylContact C-O 3.57Å; K823-L833 WeakPolarHBondContact CA-O 3.38Å; K823-L833 VanDerWaalsContact CB-O 3.28Å; K823-L833 WeakPolarHBondContact CB-O 3.31Å; T824-L833 PolarHBondContact N-O 2.83Å; T824-L833 PolarHBondContact O-N 2.93Å; H826-L833 HydrophobicContact CB-CD1 3.91Å; Q831-L833 HydrophobicContact CB-CD2 4.36Å; Q831-L833 HydrophobicContact CB-CG 4.35Å; L833-E837 HydrophobicContact CB-CB 4.24Å; L833-A838 HydrophobicContact CB-CB 4.31Å; L833-A838 HydrophobicContact CD1-CB 4.35Å; L833-R841 VanDerWaalsContact CD1-CZ 3.47Å
834	D	96.2	Very high	96.9	Very high	16 Å²	16	44.9 Å²	44.9	9%	0.086	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	145.6	164.4	-60.3	-16	0	0	0	108.7	K777 P822 K823 F836 E837 A838	K777-D834 IonicContact NZ-OD2 2.66Å; K777-D834 PolarHBondContact NZ-OD2 3.16Å; K777-D834 VanDerWaalsContact NZ-OD2 3.09Å; P822-D834 WeakPolarHBondContact O-CA 3.28Å; K823-D834 WeakPolarHBondContact CE-OD1 3.15Å; K823-D834 IonicContact NZ-OD1 3.1Å; K823-D834 PolarHBondContact NZ-OD1 3.13Å; D834-F836 VanDerWaalsContact C-N 3.29Å; D834-F836 PolarHBondContact O-N 3.03Å; D834-E837 HydrophobicContact CB-CG 4.2Å; D834-E837 WeakPolarHBondContact O-CB 3.37Å; D834-E837 PolarHBondContact O-N 3.35Å; D834-A838 PolarHBondContact O-N 2.9Å; D834-A838 VanDerWaalsContact O-N 3.1Å
835	V	98.1	Very high	96.7	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-55.3	-42.3	-170.6	-177.1	0	0	0	0	112.9	L751 L752 F807 L812 P822 E837 A838 A839 L873	L751-V835 HydrophobicContact CD1-CG1 4.36Å; L751-V835 HydrophobicContact CD2-CG1 4.03Å; L751-V835 HydrophobicContact CG-CG1 4.13Å; L752-V835 HydrophobicContact CD1-CG1 4.3Å; L752-V835 HydrophobicContact CD2-CG1 4.19Å; L752-V835 HydrophobicContact CD2-CG2 3.92Å; L752-V835 HydrophobicContact CG-CG1 4.33Å; F807-V835 HydrophobicContact CB-CB 4.1Å; F807-V835 HydrophobicContact CB-CG1 3.96Å; F807-V835 HydrophobicContact CB-CG2 4Å; F807-V835 HydrophobicContact CD2-CG1 4.22Å; F807-V835 HydrophobicContact CG-CG1 4.47Å; L812-V835 HydrophobicContact CD2-CG2 4.32Å; P822-V835 PolarHBondContact O-N 2.93Å; V835-E837 PolarHBondContact O-N 3.03Å; V835-A838 PolarHBondContact O-N 2.95Å; V835-A839 PolarHBondContact O-N 3.34Å; V835-L873 HydrophobicContact CG1-CD1 4.42Å
836	F	98.1	Very high	96.6	Very high	29 Å²	29	51.5 Å²	51.5	13%	0.127	28%	0.284	C	S	.	.	H	α-helix	trans	-59.7	-41.7	174.9	175.1	-91.5	0	0	0	113	A774 T803 R804 D834 A838 A839 D840 L873	A774-F836 HydrophobicContact CB-CB 4.19Å; A774-F836 HydrophobicContact CB-CD1 4.01Å; A774-F836 HydrophobicContact CB-CG 4.34Å; T803-F836 HydrophobicContact CG2-CD2 4.07Å; T803-F836 HydrophobicContact CG2-CE2 3.99Å; R804-F836 HydrophobicContact CB-CD2 4.27Å; R804-F836 HydrophobicContact CB-CG 4.29Å; R804-F836 HydrophobicContact CG-CD1 3.74Å; R804-F836 HydrophobicContact CG-CD2 3.58Å; R804-F836 HydrophobicContact CG-CE1 3.78Å; R804-F836 HydrophobicContact CG-CE2 3.61Å; R804-F836 HydrophobicContact CG-CG 3.66Å; R804-F836 HydrophobicContact CG-CZ 3.72Å; D834-F836 VanDerWaalsContact C-N 3.29Å; D834-F836 PolarHBondContact O-N 3.03Å; F836-A838 VanDerWaalsContact C-N 3.34Å; F836-A839 PolarHBondContact O-N 3.45Å; F836-D840 HydrophobicContact CE1-CB 4.3Å; F836-D840 HydrophobicContact CZ-CB 4.44Å; F836-D840 WeakPolarHBondContact O-CB 3.29Å; F836-D840 PolarHBondContact O-N 2.83Å; F836-L873 HydrophobicContact CB-CD2 4.42Å; F836-L873 HydrophobicContact CD2-CD2 3.9Å
837	E	97.1	Very high	96.5	Very high	55 Å²	55	52.8 Å²	52.8	26%	0.257	29%	0.293	S	S	.	.	H	α-helix	trans	-71.3	-30.8	-177.7	-63.2	178	165.5	0	0	111.9	K777 L833 D834 V835 R841	K777-E837 IonicContact NZ-OE1 2.9Å; K777-E837 PolarHBondContact NZ-OE1 3.01Å; K777-E837 IonicContact NZ-OE2 2.63Å; L833-E837 HydrophobicContact CB-CB 4.24Å; D834-E837 HydrophobicContact CB-CG 4.2Å; D834-E837 WeakPolarHBondContact O-CB 3.37Å; D834-E837 PolarHBondContact O-N 3.35Å; V835-E837 PolarHBondContact O-N 3.03Å; E837-R841 WeakPolarHBondContact O-CG 3.28Å; E837-R841 PolarHBondContact O-N 2.93Å
838	A	97.9	Very high	96.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-69.5	-45.1	170.3	0	0	0	0	0	111.8	L751 T824 H826 L833 D834 V835 F836 R841 Y842	L751-A838 HydrophobicContact CD1-CB 4.19Å; T824-A838 HydrophobicContact CG2-CB 3.43Å; T824-A838 VanDerWaalsContact CG2-CB 3.43Å; H826-A838 HydrophobicContact CB-CB 4.46Å; L833-A838 HydrophobicContact CB-CB 4.31Å; L833-A838 HydrophobicContact CD1-CB 4.35Å; D834-A838 PolarHBondContact O-N 2.9Å; D834-A838 VanDerWaalsContact O-N 3.1Å; V835-A838 PolarHBondContact O-N 2.95Å; F836-A838 VanDerWaalsContact C-N 3.34Å; A838-R841 PolarHBondContact O-N 2.86Å; A838-Y842 WeakPolarHBondContact O-CD2 3.34Å; A838-Y842 PolarHBondContact O-N 2.89Å; A838-Y842 VanDerWaalsContact O-N 3.13Å
839	A	98.1	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-45.4	178.4	0	0	0	0	0	112.6	L751 V835 F836 R841 Y842 Q843 L849 L873	L751-A839 HydrophobicContact CD1-CB 4.02Å; L751-A839 HydrophobicContact CD2-CB 4.12Å; V835-A839 PolarHBondContact O-N 3.34Å; F836-A839 PolarHBondContact O-N 3.45Å; A839-R841 VanDerWaalsContact C-N 3.27Å; A839-R841 PolarHBondContact O-N 2.86Å; A839-Y842 PolarHBondContact O-N 3.3Å; A839-Q843 WeakPolarHBondContact O-CG 3.43Å; A839-Q843 PolarHBondContact O-N 2.88Å; A839-L849 HydrophobicContact CB-CD1 4.31Å; A839-L873 HydrophobicContact CB-CB 4.09Å; A839-L873 HydrophobicContact CB-CD2 3.71Å; A839-L873 HydrophobicContact CB-CG 4.44Å
840	D	96.9	Very high	96.7	Very high	47 Å²	47	47.3 Å²	47.3	25%	0.251	26%	0.258	S	S	.	.	H	α-helix	trans	-59.1	-33.5	175.9	167.3	57.7	0	0	0	112.7	F836 R844	F836-D840 HydrophobicContact CE1-CB 4.3Å; F836-D840 HydrophobicContact CZ-CB 4.44Å; F836-D840 WeakPolarHBondContact O-CB 3.29Å; F836-D840 PolarHBondContact O-N 2.83Å; D840-R844 WeakPolarHBondContact O-CG 3.43Å; D840-R844 PolarHBondContact O-N 2.97Å; D840-R844 IonicContact OD1-CZ 3.09Å; D840-R844 IonicContact OD1-NE 3.74Å; D840-R844 PolarHBondContact OD1-NE 2.95Å; D840-R844 IonicContact OD1-NH2 3.86Å; D840-R844 PolarHBondContact OD1-NH2 3.47Å; D840-R844 IonicContact OD2-CZ 3.89Å; D840-R844 VanDerWaalsContact OD2-CZ 3.27Å; D840-R844 IonicContact OD2-NE 2.74Å; D840-R844 IonicContact OD2-NH1 2.82Å; D840-R844 IonicContact OD2-NH2 2.72Å; D840-R844 PolarHBondContact OD2-NH2 2.82Å
841	R	97.1	Very high	96.9	Very high	84 Å²	84	44.8 Å²	44.8	32%	0.317	23%	0.232	S	C	.	.	H	α-helix	trans	-68.9	-53.8	171.4	-71.5	-178.7	-172.7	-167.3	6.8	112.1	L833 E837 A838 A839 Q843 R844 D845	L833-R841 VanDerWaalsContact CD1-CZ 3.47Å; E837-R841 WeakPolarHBondContact O-CG 3.28Å; E837-R841 PolarHBondContact O-N 2.93Å; A838-R841 PolarHBondContact O-N 2.86Å; A839-R841 VanDerWaalsContact C-N 3.27Å; A839-R841 PolarHBondContact O-N 2.86Å; R841-Q843 PolarHBondContact O-N 3.43Å; R841-R844 WeakPolarHBondContact O-CB 3.48Å; R841-R844 PolarHBondContact O-N 3.22Å; R841-D845 PolarHBondContact O-N 3.11Å
842	Y	98.1	Very high	97	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.3	-35.4	178.4	-73.7	-63.8	0	0	0	112.8	H749 L751 H826 I827 P828 A838 A839 D845 G846 T847 L849	H749-Y842 HydrophobicContact CB-CD1 4.47Å; H749-Y842 HydrophobicContact CB-CE1 3.75Å; H749-Y842 AromaticContact CG-CE1 3.95Å; L751-Y842 HydrophobicContact CD1-CD2 4.31Å; L751-Y842 HydrophobicContact CD1-CE2 4.35Å; H826-Y842 AromaticContact CD2-CD2 3.83Å; H826-Y842 AromaticContact CD2-CE1 3.87Å; H826-Y842 AromaticContact CD2-CE2 3.65Å; H826-Y842 AromaticContact CD2-CZ 3.68Å; H826-Y842 AromaticContact NE2-CD1 3.8Å; H826-Y842 AromaticContact NE2-CE1 3.85Å; I827-Y842 WeakPolarHBondContact CB-OH 3.35Å; I827-Y842 PolarHBondContact N-OH 3.33Å; P828-Y842 HydrophobicContact CG-CE1 3.81Å; A838-Y842 WeakPolarHBondContact O-CD2 3.34Å; A838-Y842 PolarHBondContact O-N 2.89Å; A838-Y842 VanDerWaalsContact O-N 3.13Å; A839-Y842 PolarHBondContact O-N 3.3Å; Y842-D845 CarbonylContact O-C 3.43Å; Y842-D845 PolarHBondContact O-N 3.46Å; Y842-G846 PolarHBondContact O-N 3.39Å; Y842-T847 HydrophobicContact CD1-CG2 3.8Å; Y842-T847 HydrophobicContact CE1-CG2 4.38Å; Y842-T847 PolarHBondContact O-N 3.27Å; Y842-L849 HydrophobicContact CD1-CD2 4.21Å; Y842-L849 HydrophobicContact CD2-CD1 4.21Å; Y842-L849 HydrophobicContact CD2-CD2 3.56Å; Y842-L849 HydrophobicContact CD2-CG 4.48Å; Y842-L849 HydrophobicContact CE2-CD2 3.98Å; Y842-L849 HydrophobicContact CG-CD1 4.47Å; Y842-L849 HydrophobicContact CG-CD2 3.67Å
843	Q	95.3	Very high	97	Very high	92 Å²	92	36.7 Å²	36.7	43%	0.43	19%	0.189	S	C	.	.	H	α-helix	trans	-65	-39.6	174.7	-74.2	-177.8	16.4	0	0	113.2	A839 R841 D845 G846 L872 L873	A839-Q843 WeakPolarHBondContact O-CG 3.43Å; A839-Q843 PolarHBondContact O-N 2.88Å; R841-Q843 PolarHBondContact O-N 3.43Å; Q843-D845 VanDerWaalsContact C-N 3.3Å; Q843-G846 PolarHBondContact O-N 2.99Å; Q843-L872 PolarHBondContact NE2-O 2.76Å; Q843-L873 PolarHBondContact NE2-O 3.17Å
844	R	95.5	Very high	97	Very high	179 Å²	179	36.1 Å²	36.1	68%	0.675	19%	0.188	S	C	*	.	H	α-helix	trans	-66.7	-35.5	174.4	-68.2	169.2	-163.9	179.7	4.4	111.7	D840 R841 G846	D840-R844 WeakPolarHBondContact O-CG 3.43Å; D840-R844 PolarHBondContact O-N 2.97Å; D840-R844 IonicContact OD1-CZ 3.09Å; D840-R844 IonicContact OD1-NE 3.74Å; D840-R844 PolarHBondContact OD1-NE 2.95Å; D840-R844 IonicContact OD1-NH2 3.86Å; D840-R844 PolarHBondContact OD1-NH2 3.47Å; D840-R844 IonicContact OD2-CZ 3.89Å; D840-R844 VanDerWaalsContact OD2-CZ 3.27Å; D840-R844 IonicContact OD2-NE 2.74Å; D840-R844 IonicContact OD2-NH1 2.82Å; D840-R844 IonicContact OD2-NH2 2.72Å; D840-R844 PolarHBondContact OD2-NH2 2.82Å; R841-R844 WeakPolarHBondContact O-CB 3.48Å; R841-R844 PolarHBondContact O-N 3.22Å; R844-G846 PolarHBondContact O-N 3.11Å
845	D	94	Very high	96.8	Very high	100 Å²	100	40.1 Å²	40.1	54%	0.535	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	4.3	175.7	-60	-16	0	0	0	112.6	R841 Y842 Q843 T847	R841-D845 PolarHBondContact O-N 3.11Å; Y842-D845 CarbonylContact O-C 3.43Å; Y842-D845 PolarHBondContact O-N 3.46Å; Q843-D845 VanDerWaalsContact C-N 3.3Å; D845-T847 PolarHBondContact O-N 3.06Å; D845-T847 VanDerWaalsContact O-N 3.13Å; D845-T847 PolarHBondContact O-OG1 2.59Å
846	G	94.3	Very high	96.2	Very high	63 Å²	63	43 Å²	43	65%	0.649	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	14.9	180	0	0	0	0	0	114.9	Y842 Q843 R844	Y842-G846 PolarHBondContact O-N 3.39Å; Q843-G846 PolarHBondContact O-N 2.99Å; R844-G846 PolarHBondContact O-N 3.11Å
847	T	95.5	Very high	96	Very high	35 Å²	35	41.7 Å²	41.7	22%	0.215	21%	0.214	C	C	.	.			trans	-85.8	123.1	-170.5	-66.3	0	0	0	0	111.3	H749 Y842 D845	H749-T847 HydrophobicContact CB-CG2 4.27Å; Y842-T847 HydrophobicContact CD1-CG2 3.8Å; Y842-T847 HydrophobicContact CE1-CG2 4.38Å; Y842-T847 PolarHBondContact O-N 3.27Å; D845-T847 PolarHBondContact O-N 3.06Å; D845-T847 VanDerWaalsContact O-N 3.13Å; D845-T847 PolarHBondContact O-OG1 2.59Å
848	P	96	Very high	95.5	Very high	46 Å²	46	39 Å²	39	30%	0.299	20%	0.202	S	C	.	.			trans	-66.1	151.4	174.3	-19.3	32.8	0	0	0	112	I745 A748 H749	I745-P848 HydrophobicContact CG2-CB 4.29Å; A748-P848 CarbonylContact C-O 3.43Å; A748-P848 WeakPolarHBondContact CA-O 3.33Å; A748-P848 HydrophobicContact CB-CB 3.95Å; A748-P848 WeakPolarHBondContact CB-O 3.27Å; H749-P848 PolarHBondContact N-O 3.33Å
849	L	98.4	Very high	94.4	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144	-178	-65	175.9	0	0	0	113.1	H749 L751 A839 Y842 L873 V875 R876	H749-L849 HydrophobicContact CB-CD2 4.31Å; H749-L849 WeakPolarHBondContact O-CA 3.49Å; H749-L849 WeakPolarHBondContact O-CD2 3.35Å; L751-L849 HydrophobicContact CB-CB 4.41Å; L751-L849 HydrophobicContact CB-CD1 4.26Å; L751-L849 HydrophobicContact CB-CD2 4.28Å; L751-L849 HydrophobicContact CD1-CD1 4.19Å; L751-L849 HydrophobicContact CD2-CD1 4.2Å; L751-L849 HydrophobicContact CG-CD1 4.44Å; A839-L849 HydrophobicContact CB-CD1 4.31Å; Y842-L849 HydrophobicContact CD1-CD2 4.21Å; Y842-L849 HydrophobicContact CD2-CD1 4.21Å; Y842-L849 HydrophobicContact CD2-CD2 3.56Å; Y842-L849 HydrophobicContact CD2-CG 4.48Å; Y842-L849 HydrophobicContact CE2-CD2 3.98Å; Y842-L849 HydrophobicContact CG-CD1 4.47Å; Y842-L849 HydrophobicContact CG-CD2 3.67Å; L849-L873 WeakPolarHBondContact CD1-O 3.48Å; L849-V875 HydrophobicContact CB-CG2 4.45Å; L849-V875 CarbonylContact O-C 3.57Å; L849-V875 WeakPolarHBondContact O-CA 3.28Å; L849-R876 PolarHBondContact O-N 3.41Å
850	I	98.6	Very high	92.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	169.9	167.7	67.5	165.6	0	0	0	111.2	A748 H749 A750 L751 L852 A877 I879 F918	A748-I850 HydrophobicContact CB-CG2 4.04Å; H749-I850 PolarHBondContact O-N 3.47Å; A750-I850 CarbonylContact C-O 3.45Å; A750-I850 WeakPolarHBondContact CA-O 3.36Å; A750-I850 HydrophobicContact CB-CG1 4.22Å; L751-I850 PolarHBondContact N-O 2.95Å; I850-L852 HydrophobicContact CD1-CD2 4.04Å; I850-A877 VanDerWaalsContact CA-O 3.22Å; I850-A877 WeakPolarHBondContact CA-O 3.42Å; I850-A877 WeakPolarHBondContact CB-O 3.5Å; I850-A877 HydrophobicContact CG2-CB 4.09Å; I850-I879 HydrophobicContact CD1-CD1 3.89Å; I850-I879 HydrophobicContact CD1-CG1 4.44Å; I850-F918 HydrophobicContact CD1-CB 3.72Å; I850-F918 HydrophobicContact CD1-CD1 4.04Å; I850-F918 HydrophobicContact CD1-CD2 3.69Å; I850-F918 HydrophobicContact CD1-CE2 4.32Å; I850-F918 HydrophobicContact CD1-CG 3.54Å; I850-F918 HydrophobicContact CG1-CD2 4.38Å
851	I	98.8	Very high	91.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.3	167.7	-65.6	175.5	0	0	0	108.4	L752 L754 F807 V875 A877 V878 I879	L752-I851 HydrophobicContact CB-CG1 4.38Å; L752-I851 HydrophobicContact CB-CG2 4.25Å; L752-I851 HydrophobicContact CD1-CD1 4.38Å; L754-I851 HydrophobicContact CD1-CG2 4.05Å; L754-I851 HydrophobicContact CG-CG2 4.49Å; F807-I851 HydrophobicContact CE2-CD1 3.65Å; F807-I851 HydrophobicContact CZ-CD1 3.46Å; F807-I851 VanDerWaalsContact CZ-CD1 3.46Å; I851-V875 HydrophobicContact CD1-CG1 4.3Å; I851-V875 HydrophobicContact CD1-CG2 4.07Å; I851-V875 HydrophobicContact CG1-CG1 4.18Å; I851-V875 HydrophobicContact CG1-CG2 4.18Å; I851-A877 PolarHBondContact N-O 2.79Å; I851-A877 VanDerWaalsContact N-O 3.15Å; I851-V878 HydrophobicContact CB-CG1 4.2Å; I851-V878 HydrophobicContact CB-CG2 4.28Å; I851-V878 HydrophobicContact CG2-CG1 4.24Å; I851-V878 CarbonylContact O-C 3.56Å; I851-V878 WeakPolarHBondContact O-CA 3.45Å; I851-I879 PolarHBondContact O-N 2.79Å
852	L	98.6	Very high	89.6	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	136.7	165.1	-57.9	-177.9	0	0	0	109	A750 L752 F753 L754 I850 I879 F918	A750-L852 HydrophobicContact CB-CG 4.32Å; L752-L852 PolarHBondContact O-N 3.15Å; F753-L852 WeakPolarHBondContact CA-O 3.46Å; F753-L852 HydrophobicContact CD2-CB 3.62Å; F753-L852 HydrophobicContact CD2-CD1 4.2Å; F753-L852 HydrophobicContact CE2-CB 4.12Å; F753-L852 HydrophobicContact CE2-CD1 4.33Å; F753-L852 HydrophobicContact CG-CB 4.25Å; F753-L852 HydrophobicContact CG-CD1 4.35Å; L754-L852 PolarHBondContact N-O 3.16Å; I850-L852 HydrophobicContact CD1-CD2 4.04Å; L852-I879 CarbonylContact C-O 3.56Å; L852-I879 WeakPolarHBondContact CA-O 3.32Å; L852-I879 HydrophobicContact CD2-CB 3.86Å; L852-I879 HydrophobicContact CD2-CD1 4.01Å; L852-I879 HydrophobicContact CD2-CG1 4.21Å; L852-F918 HydrophobicContact CD1-CZ 4.01Å
853	A	98.1	Very high	88.4	Confident	3 Å²	3	44.1 Å²	44.1	3%	0.025	25%	0.248	C	C	.	.			trans	-143	163.8	178.3	0	0	0	0	0	112.5	L754 Y857 I879 A880	L754-A853 HydrophobicContact CB-CB 4.32Å; A853-Y857 HydrophobicContact CB-CD2 3.45Å; A853-Y857 VanDerWaalsContact CB-CD2 3.45Å; A853-Y857 HydrophobicContact CB-CE2 4.16Å; A853-Y857 HydrophobicContact CB-CG 3.92Å; A853-I879 PolarHBondContact N-O 3.45Å; A853-A880 HydrophobicContact CB-CB 4.06Å; A853-A880 WeakPolarHBondContact O-CA 3.2Å
854	G	96.1	Very high	87.5	Confident	5 Å²	5	39.8 Å²	39.8	5%	0.052	23%	0.228	C	C	.	.			trans	-85	-139.2	171.8	0	0	0	0	0	112.4	G755 D756 E881	G755-G854 PolarHBondContact O-N 3.37Å; D756-G854 WeakPolarHBondContact OD1-CA 3.5Å; G854-E881 PolarHBondContact O-N 3.39Å
855	K	93.3	Very high	87.2	Confident	100 Å²	100	31.6 Å²	31.6	44%	0.435	20%	0.197	S	C	.	.	S	Bend	trans	-82.5	155.4	180	-61.2	171.9	-169.9	174.9	0	112.4	D756 K757 Y857 E881 S882	D756-K855 CarbonylContact C-O 3.59Å; D756-K855 WeakPolarHBondContact CA-O 3.27Å; D756-K855 HydrophobicContact CB-CB 4.45Å; D756-K855 PolarHBondContact OD1-N 3.18Å; K757-K855 PolarHBondContact N-O 3.05Å; K855-Y857 VanDerWaalsContact C-N 3.25Å; K855-Y857 PolarHBondContact O-N 3.21Å; K855-E881 WeakPolarHBondContact CE-OE2 3.48Å; K855-E881 HydrophobicContact CG-CB 3.71Å; K855-E881 HydrophobicContact CG-CG 4.43Å; K855-E881 IonicContact NZ-OE2 2.74Å; K855-S882 WeakPolarHBondContact CA-OG 3.44Å
856	D	85.2	Confident	87	Confident	65 Å²	65	26.9 Å²	26.9	35%	0.348	17%	0.171	S	C	.	.	S	Bend	trans	54.4	39.1	172.1	-48.9	-25.8	0	0	0	113.1	K757 G858 S859 S882	K757-D856 VanDerWaalsContact CE-OD2 3.25Å; K757-D856 WeakPolarHBondContact CE-OD2 3.49Å; K757-D856 HydrophobicContact CG-CB 4.06Å; D856-G858 PolarHBondContact O-N 3.06Å; D856-S859 WeakPolarHBondContact O-CB 3.45Å; D856-S859 PolarHBondContact O-N 2.79Å; D856-S859 PolarHBondContact O-OG 2.93Å; D856-S882 PolarHBondContact N-O 3.08Å; D856-S882 PolarHBondContact N-OG 2.92Å; D856-S882 PolarHBondContact OD1-OG 3Å
857	Y	94.1	Very high	87	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.14	C	C	.	.	B	Isolated β-bridge	trans	-65.3	126.7	178.3	179.3	-96	0	0	0	110.6	L754 V758 I763 A853 K855 V878 S882 F883 E884 H887 L891	L754-Y857 HydrophobicContact CD1-CE2 3.93Å; V758-Y857 HydrophobicContact CB-CD2 3.73Å; V758-Y857 HydrophobicContact CB-CE2 4.08Å; V758-Y857 HydrophobicContact CG1-CD2 4.12Å; V758-Y857 HydrophobicContact CG1-CE2 3.92Å; V758-Y857 HydrophobicContact CG2-CD2 4.05Å; V758-Y857 HydrophobicContact CG2-CE2 4.48Å; I763-Y857 HydrophobicContact CD1-CE1 4.29Å; I763-Y857 HydrophobicContact CD1-CE2 4.26Å; A853-Y857 HydrophobicContact CB-CD2 3.45Å; A853-Y857 VanDerWaalsContact CB-CD2 3.45Å; A853-Y857 HydrophobicContact CB-CE2 4.16Å; A853-Y857 HydrophobicContact CB-CG 3.92Å; K855-Y857 VanDerWaalsContact C-N 3.25Å; K855-Y857 PolarHBondContact O-N 3.21Å; Y857-V878 HydrophobicContact CD1-CG1 4.02Å; Y857-V878 HydrophobicContact CE1-CG1 3.81Å; Y857-V878 HydrophobicContact CE1-CG2 4.38Å; Y857-S882 PolarHBondContact N-O 3.01Å; Y857-S882 VanDerWaalsContact N-O 3.07Å; Y857-F883 AromaticContact CD1-CD1 3.8Å; Y857-F883 HydrophobicContact CD1-CD1 3.8Å; Y857-F883 AromaticContact CD1-CE1 3.79Å; Y857-F883 HydrophobicContact CD1-CE1 3.79Å; Y857-F883 HydrophobicContact CE1-CE1 4.39Å; Y857-E884 PolarHBondContact O-N 3.39Å; Y857-H887 AromaticContact CD1-CD2 3.7Å; Y857-H887 AromaticContact CD1-NE2 3.87Å; Y857-H887 AromaticContact CE1-CD2 3.59Å; Y857-H887 AromaticContact CE1-NE2 3.24Å; Y857-H887 WeakPolarHBondContact CE1-NE2 3.32Å; Y857-L891 HydrophobicContact CE1-CD1 4.47Å
858	G	84.9	Confident	86.9	Confident	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	11.8	-178	0	0	0	0	0	115.8	V758 T760 D856 H887	V758-G858 WeakPolarHBondContact O-CA 3.46Å; V758-G858 PolarHBondContact O-N 2.95Å; T760-G858 WeakPolarHBondContact CG2-O 3.47Å; D856-G858 PolarHBondContact O-N 3.06Å; G858-H887 WeakPolarHBondContact CA-CD2 3.21Å
859	S	75.3	Confident	86.9	Confident	24 Å²	24	20 Å²	20	17%	0.168	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-63.4	145.8	-174.7	34.9	0	0	0	0	114.8	V758 T759 T760 D856	V758-S859 PolarHBondContact O-N 3.1Å; T759-S859 CarbonylContact C-O 3.6Å; T759-S859 WeakPolarHBondContact CA-O 3.22Å; T759-S859 WeakPolarHBondContact CB-O 3.43Å; T760-S859 PolarHBondContact N-O 3.33Å; D856-S859 WeakPolarHBondContact O-CB 3.45Å; D856-S859 PolarHBondContact O-N 2.79Å; D856-S859 PolarHBondContact O-OG 2.93Å
860	G	65.6	Low	86.9	Confident	44 Å²	44	20 Å²	20	45%	0.454	12%	0.116	S	C	.	.	S	Bend	trans	104.6	-163.1	173.5	0	0	0	0	0	114.6
861	N	61.4	Low	86.8	Confident	112 Å²	112	21.6 Å²	21.6	60%	0.599	12%	0.122	S	C	*	.	S	Bend	trans	-61.4	141.5	-166.8	-66.1	21.8	0	0	0	112.8	T760	T760-N861 WeakPolarHBondContact CB-O 3.43Å; T760-N861 WeakPolarHBondContact CG2-O 3.48Å; T760-N861 PolarHBondContact OG1-O 3.03Å
862	S	63.8	Low	86.7	Confident	31 Å²	31	22.8 Å²	22.8	22%	0.217	13%	0.129	C	C	.	.			trans	-69.5	132.2	-177.2	-151.3	0	0	0	0	112.9	G305 L886 Q890	G305-S862 VanDerWaalsContact CA-CB 3.42Å; G305-S862 WeakPolarHBondContact CA-OG 3.39Å; G305-S862 PolarHBondContact N-OG 2.78Å; S862-L886 WeakPolarHBondContact OG-CD1 3.43Å; S862-L886 WeakPolarHBondContact OG-CD2 3.46Å; S862-Q890 PolarHBondContact OG-NE2 2.99Å
863	R	73.3	Confident	86.7	Confident	27 Å²	27	22.9 Å²	22.9	10%	0.102	13%	0.129	C	C	.	.			trans	-145.7	141.3	-179.3	-63.4	179.7	-174.9	175.1	10.3	107.9	D761 S764 V866	D761-R863 VanDerWaalsContact CG-NH1 3.29Å; D761-R863 IonicContact OD1-CZ 3.77Å; D761-R863 VanDerWaalsContact OD1-CZ 3.26Å; D761-R863 IonicContact OD1-NH1 3.15Å; D761-R863 PolarHBondContact OD1-NH1 2.88Å; D761-R863 IonicContact OD1-NH2 2.72Å; D761-R863 PolarHBondContact OD1-NH2 3.47Å; D761-R863 IonicContact OD2-CZ 2.74Å; D761-R863 IonicContact OD2-NH1 2.67Å; D761-R863 IonicContact OD2-NH2 3.68Å; D761-R863 PolarHBondContact OD2-NH2 3.17Å; S764-R863 PolarHBondContact O-NH1 2.82Å; R863-V866 HydrophobicContact CB-CG1 3.93Å; R863-V866 WeakPolarHBondContact O-CG2 3.46Å
864	D	76.1	Confident	86.6	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-42	178.5	62.4	-42.3	0	0	0	113	P95 I307 R796 V866 A867 K868	P95-D864 WeakPolarHBondContact CB-OD2 3.45Å; P95-D864 WeakPolarHBondContact CG-OD2 3.31Å; I307-D864 WeakPolarHBondContact CD1-O 3.36Å; I307-D864 HydrophobicContact CG1-CB 4.25Å; R796-D864 IonicContact CZ-OD1 3.3Å; R796-D864 IonicContact NE-OD1 3.72Å; D864-V866 PolarHBondContact O-N 3.32Å; D864-V866 VanDerWaalsContact O-N 3.09Å; D864-A867 PolarHBondContact O-N 3.13Å; D864-K868 HydrophobicContact CB-CD 4.34Å; D864-K868 PolarHBondContact O-N 2.99Å
865	W	89.8	Confident	86.7	Confident	7 Å²	7	22.9 Å²	22.9	3%	0.027	13%	0.129	C	C	.	.	H	α-helix	trans	-70.9	-5.3	-173.8	-84.1	97.4	0	0	0	115.6	F731 S764 R796 D799 M802 A867 K868 G869 L872	F731-W865 HydrophobicContact CZ-CH2 4.23Å; S764-W865 VanDerWaalsContact OG-CB 3.23Å; S764-W865 WeakPolarHBondContact OG-CB 3.41Å; R796-W865 PolarHBondContact O-NE1 3.16Å; D799-W865 HydrophobicContact CB-CH2 4.09Å; M802-W865 HydrophobicContact CB-CD2 3.3Å; M802-W865 VanDerWaalsContact CB-CE2 3.49Å; M802-W865 HydrophobicContact CB-CE3 3.41Å; M802-W865 VanDerWaalsContact CB-CE3 3.41Å; M802-W865 HydrophobicContact CB-CG 3.9Å; M802-W865 HydrophobicContact CB-CH2 3.96Å; M802-W865 HydrophobicContact CB-CZ2 3.83Å; M802-W865 HydrophobicContact CB-CZ3 3.75Å; M802-W865 HydrophobicContact CE-CB 3.9Å; M802-W865 HydrophobicContact CE-CD2 4.32Å; M802-W865 HydrophobicContact CE-CG 3.69Å; M802-W865 HydrophobicContact CG-CD2 3.81Å; M802-W865 HydrophobicContact CG-CE3 4.41Å; M802-W865 HydrophobicContact CG-CG 4.08Å; M802-W865 HydrophobicContact CG-CZ2 4.12Å; W865-A867 VanDerWaalsContact C-N 3.31Å; W865-A867 PolarHBondContact O-N 2.84Å; W865-K868 HydrophobicContact CD2-CB 4.16Å; W865-K868 HydrophobicContact CE3-CB 3.79Å; W865-K868 HydrophobicContact CH2-CB 4.35Å; W865-K868 HydrophobicContact CZ3-CB 3.9Å; W865-G869 WeakPolarHBondContact O-CA 3.15Å; W865-G869 PolarHBondContact O-N 3.14Å; W865-L872 HydrophobicContact CH2-CD1 3.92Å; W865-L872 HydrophobicContact CZ3-CD1 3.92Å
866	V	90.4	Very high	86.9	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-73.7	-21	176.2	-55.8	0	0	0	0	113.5	T760 I763 R863 D864 P870 H887	T760-V866 HydrophobicContact CG2-CG1 4.04Å; I763-V866 HydrophobicContact CB-CB 4.26Å; I763-V866 HydrophobicContact CB-CG1 4.2Å; I763-V866 HydrophobicContact CG2-CB 3.91Å; I763-V866 HydrophobicContact CG2-CG1 4.32Å; I763-V866 WeakPolarHBondContact CG2-O 3.25Å; R863-V866 HydrophobicContact CB-CG1 3.93Å; R863-V866 WeakPolarHBondContact O-CG2 3.46Å; D864-V866 PolarHBondContact O-N 3.32Å; D864-V866 VanDerWaalsContact O-N 3.09Å; V866-P870 WeakPolarHBondContact O-CD 3.26Å; V866-P870 WeakPolarHBondContact O-CG 3.27Å; V866-H887 WeakPolarHBondContact CG2-ND1 3.49Å
867	A	92.9	Very high	87.5	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-109.3	-41.5	172.4	0	0	0	0	0	111.4	I307 D864 W865 G869 P870 Y871 Q890 L891 M894	I307-A867 HydrophobicContact CD1-CB 3.96Å; D864-A867 PolarHBondContact O-N 3.13Å; W865-A867 VanDerWaalsContact C-N 3.31Å; W865-A867 PolarHBondContact O-N 2.84Å; A867-G869 VanDerWaalsContact C-N 3.27Å; A867-G869 PolarHBondContact O-N 2.74Å; A867-P870 WeakPolarHBondContact O-CD 3.44Å; A867-Y871 VanDerWaalsContact O-CB 3.29Å; A867-Y871 WeakPolarHBondContact O-CB 3.41Å; A867-Y871 PolarHBondContact O-N 2.88Å; A867-Y871 VanDerWaalsContact O-N 3.07Å; A867-Q890 HydrophobicContact CB-CB 3.91Å; A867-Q890 VanDerWaalsContact CB-O 3.23Å; A867-Q890 WeakPolarHBondContact CB-O 3.36Å; A867-L891 HydrophobicContact CB-CD2 4.31Å; A867-M894 HydrophobicContact CB-CB 4.13Å; A867-M894 HydrophobicContact CB-CG 3.61Å
868	K	94.9	Very high	87.7	Confident	1 Å²	1	20 Å²	20	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-58.7	-37.7	174.9	-68.2	174.3	-175.6	-179.8	0	112.1	D99 E310 F731 D864 W865 L872 M894	D99-K868 IonicContact OD2-NZ 3.27Å; D99-K868 PolarHBondContact OD2-NZ 2.81Å; E310-K868 IonicContact OE1-NZ 3.35Å; E310-K868 IonicContact OE2-NZ 3.31Å; E310-K868 PolarHBondContact OE2-NZ 3.12Å; F731-K868 HydrophobicContact CE1-CB 4.34Å; F731-K868 HydrophobicContact CE1-CG 4.46Å; F731-K868 HydrophobicContact CE2-CD 4.26Å; F731-K868 HydrophobicContact CE2-CG 4.46Å; F731-K868 HydrophobicContact CZ-CB 3.89Å; F731-K868 HydrophobicContact CZ-CD 4.11Å; F731-K868 HydrophobicContact CZ-CG 3.9Å; D864-K868 HydrophobicContact CB-CD 4.34Å; D864-K868 PolarHBondContact O-N 2.99Å; W865-K868 HydrophobicContact CD2-CB 4.16Å; W865-K868 HydrophobicContact CE3-CB 3.79Å; W865-K868 HydrophobicContact CH2-CB 4.35Å; W865-K868 HydrophobicContact CZ3-CB 3.9Å; K868-L872 WeakPolarHBondContact O-CG 3.43Å; K868-L872 PolarHBondContact O-N 3.31Å; K868-M894 HydrophobicContact CD-SD 4.46Å; K868-M894 HydrophobicContact CG-CE 3.87Å; K868-M894 HydrophobicContact CG-CG 4.17Å; K868-M894 HydrophobicContact CG-SD 3.55Å; K868-M894 VanDerWaalsContact CG-SD 3.55Å
869	G	96.5	Very high	88.3	Confident	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.5	-61.9	176.6	0	0	0	0	0	113.6	T806 W865 A867 Y871 L872 L873	T806-G869 WeakPolarHBondContact OG1-CA 3.45Å; W865-G869 WeakPolarHBondContact O-CA 3.15Å; W865-G869 PolarHBondContact O-N 3.14Å; A867-G869 VanDerWaalsContact C-N 3.27Å; A867-G869 PolarHBondContact O-N 2.74Å; G869-Y871 PolarHBondContact O-N 3.18Å; G869-L872 PolarHBondContact O-N 2.89Å; G869-L872 VanDerWaalsContact O-N 3.1Å; G869-L873 PolarHBondContact O-N 3.32Å
870	P	97.9	Very high	89.4	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.3	-34.7	177.6	-28.9	37.9	0	0	0	113.5	I763 T806 F807 V866 A867 L872 L873 G874 V875 I896	I763-P870 HydrophobicContact CG2-CG 4.05Å; T806-P870 HydrophobicContact CG2-CG 4.04Å; F807-P870 HydrophobicContact CE2-CB 4.38Å; F807-P870 HydrophobicContact CE2-CG 3.86Å; F807-P870 HydrophobicContact CZ-CG 4.1Å; V866-P870 WeakPolarHBondContact O-CD 3.26Å; V866-P870 WeakPolarHBondContact O-CG 3.27Å; A867-P870 WeakPolarHBondContact O-CD 3.44Å; P870-L872 PolarHBondContact O-N 3.11Å; P870-L873 CarbonylContact O-C 3.55Å; P870-L873 PolarHBondContact O-N 3Å; P870-G874 PolarHBondContact O-N 2.97Å; P870-V875 HydrophobicContact CB-CB 4.18Å; P870-V875 HydrophobicContact CB-CG2 4.13Å; P870-V875 VanDerWaalsContact O-CB 3.29Å; P870-V875 WeakPolarHBondContact O-CB 3.29Å; P870-V875 WeakPolarHBondContact O-CG2 3.26Å; P870-V875 PolarHBondContact O-N 3.39Å; P870-I896 HydrophobicContact CB-CD1 4Å
871	Y	96.4	Very high	90.9	Very high	33 Å²	33	18.7 Å²	18.7	13%	0.129	9%	0.09	C	C	.	.	H	α-helix	trans	-57.9	-48.3	174.3	178	-92.4	0	0	0	111.9	F731 A867 G869 G874 R876 M894 I896 R964	F731-Y871 AromaticContact CD1-CD1 3.96Å; F731-Y871 HydrophobicContact CD1-CD1 3.96Å; F731-Y871 AromaticContact CD1-CE1 3.89Å; F731-Y871 HydrophobicContact CD1-CE1 3.89Å; F731-Y871 HydrophobicContact CE1-CD1 4.07Å; F731-Y871 HydrophobicContact CE1-CE1 4.45Å; A867-Y871 VanDerWaalsContact O-CB 3.29Å; A867-Y871 WeakPolarHBondContact O-CB 3.41Å; A867-Y871 PolarHBondContact O-N 2.88Å; A867-Y871 VanDerWaalsContact O-N 3.07Å; G869-Y871 PolarHBondContact O-N 3.18Å; Y871-G874 WeakPolarHBondContact O-CA 3.19Å; Y871-G874 PolarHBondContact O-N 3.36Å; Y871-R876 PolarHBondContact O-NH1 2.95Å; Y871-M894 HydrophobicContact CD1-CE 4.16Å; Y871-M894 WeakPolarHBondContact CD2-O 3.3Å; Y871-M894 WeakPolarHBondContact CE2-O 3.39Å; Y871-M894 HydrophobicContact CG-CE 4.11Å; Y871-I896 HydrophobicContact CD2-CG1 4.38Å; Y871-R964 VanDerWaalsContact OH-CZ 3.32Å; Y871-R964 PolarHBondContact OH-NH2 3.47Å
872	L	96.8	Very high	92.5	Very high	26 Å²	26	14.6 Å²	14.6	14%	0.136	7%	0.071	C	C	.	.	H	α-helix	trans	-75.2	-21.9	177.4	-65.9	-174.5	0	0	0	113.7	P730 F731 D799 T803 Q843 W865 K868 G869 P870 G874	P730-L872 HydrophobicContact CG-CD1 4.45Å; P730-L872 HydrophobicContact CG-CD2 3.63Å; F731-L872 HydrophobicContact CD1-CD2 4.07Å; F731-L872 HydrophobicContact CE1-CD1 3.82Å; F731-L872 HydrophobicContact CE1-CD2 3.8Å; F731-L872 HydrophobicContact CE1-CG 3.76Å; F731-L872 HydrophobicContact CZ-CD1 4.14Å; D799-L872 HydrophobicContact CB-CD1 4.15Å; T803-L872 HydrophobicContact CG2-CB 3.69Å; T803-L872 WeakPolarHBondContact OG1-CB 3.37Å; T803-L872 WeakPolarHBondContact OG1-CD1 3.5Å; Q843-L872 PolarHBondContact NE2-O 2.76Å; W865-L872 HydrophobicContact CH2-CD1 3.92Å; W865-L872 HydrophobicContact CZ3-CD1 3.92Å; K868-L872 WeakPolarHBondContact O-CG 3.43Å; K868-L872 PolarHBondContact O-N 3.31Å; G869-L872 PolarHBondContact O-N 2.89Å; G869-L872 VanDerWaalsContact O-N 3.1Å; P870-L872 PolarHBondContact O-N 3.11Å; L872-G874 PolarHBondContact O-N 2.91Å
873	L	97.8	Very high	93.9	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.6	163.3	-67.4	177.7	0	0	0	112.6	L751 T803 T806 F807 V835 F836 A839 Q843 L849 G869 P870	L751-L873 HydrophobicContact CD2-CB 4.23Å; L751-L873 HydrophobicContact CD2-CD1 4.19Å; T803-L873 HydrophobicContact CG2-CD2 3.78Å; T803-L873 HydrophobicContact CG2-CG 4.09Å; T806-L873 HydrophobicContact CG2-CD1 3.55Å; T806-L873 HydrophobicContact CG2-CG 4.34Å; F807-L873 HydrophobicContact CD2-CD1 3.76Å; F807-L873 HydrophobicContact CE2-CD1 4.19Å; V835-L873 HydrophobicContact CG1-CD1 4.42Å; F836-L873 HydrophobicContact CB-CD2 4.42Å; F836-L873 HydrophobicContact CD2-CD2 3.9Å; A839-L873 HydrophobicContact CB-CB 4.09Å; A839-L873 HydrophobicContact CB-CD2 3.71Å; A839-L873 HydrophobicContact CB-CG 4.44Å; Q843-L873 PolarHBondContact NE2-O 3.17Å; L849-L873 WeakPolarHBondContact CD1-O 3.48Å; G869-L873 PolarHBondContact O-N 3.32Å; P870-L873 CarbonylContact O-C 3.55Å; P870-L873 PolarHBondContact O-N 3Å
874	G	96.3	Very high	94.4	Very high	8 Å²	8	15.8 Å²	15.8	8%	0.082	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.9	10	176.4	0	0	0	0	0	114.1	P870 Y871 L872 R876	P870-G874 PolarHBondContact O-N 2.97Å; Y871-G874 WeakPolarHBondContact O-CA 3.19Å; Y871-G874 PolarHBondContact O-N 3.36Å; L872-G874 PolarHBondContact O-N 2.91Å; G874-R876 PolarHBondContact O-NH1 3.32Å
875	V	98.1	Very high	94.5	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	138.8	174.9	-176.9	0	0	0	0	109.7	L751 L849 I851 P870 A877 V878 I896	L751-V875 HydrophobicContact CD2-CG2 4.19Å; L849-V875 HydrophobicContact CB-CG2 4.45Å; L849-V875 CarbonylContact O-C 3.57Å; L849-V875 WeakPolarHBondContact O-CA 3.28Å; I851-V875 HydrophobicContact CD1-CG1 4.3Å; I851-V875 HydrophobicContact CD1-CG2 4.07Å; I851-V875 HydrophobicContact CG1-CG1 4.18Å; I851-V875 HydrophobicContact CG1-CG2 4.18Å; P870-V875 HydrophobicContact CB-CB 4.18Å; P870-V875 HydrophobicContact CB-CG2 4.13Å; P870-V875 VanDerWaalsContact O-CB 3.29Å; P870-V875 WeakPolarHBondContact O-CB 3.29Å; P870-V875 WeakPolarHBondContact O-CG2 3.26Å; P870-V875 PolarHBondContact O-N 3.39Å; V875-A877 WeakPolarHBondContact CG1-O 3.48Å; V875-V878 HydrophobicContact CG1-CG2 4.4Å; V875-I896 HydrophobicContact CG1-CG2 4.29Å
876	R	96.6	Very high	93.9	Very high	104 Å²	104	21.5 Å²	21.5	39%	0.392	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-26.9	179.2	-61.2	-63.1	171.5	-104.4	0.9	113.6	I745 L849 Y871 G874 M897	I745-R876 HydrophobicContact CD1-CB 3.75Å; I745-R876 HydrophobicContact CG1-CB 4.19Å; L849-R876 PolarHBondContact O-N 3.41Å; Y871-R876 PolarHBondContact O-NH1 2.95Å; G874-R876 PolarHBondContact O-NH1 3.32Å; R876-M897 PolarHBondContact O-N 3.27Å
877	A	98.1	Very high	93.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	154.7	171.2	0	0	0	0	0	111.7	I745 I850 I851 V875 M897 L899	I745-A877 HydrophobicContact CD1-CB 3.7Å; I850-A877 VanDerWaalsContact CA-O 3.22Å; I850-A877 WeakPolarHBondContact CA-O 3.42Å; I850-A877 WeakPolarHBondContact CB-O 3.5Å; I850-A877 HydrophobicContact CG2-CB 4.09Å; I851-A877 PolarHBondContact N-O 2.79Å; I851-A877 VanDerWaalsContact N-O 3.15Å; V875-A877 WeakPolarHBondContact CG1-O 3.48Å; A877-M897 VanDerWaalsContact CA-O 3.25Å; A877-M897 WeakPolarHBondContact CA-O 3.39Å; A877-M897 HydrophobicContact CB-CB 4.12Å; A877-M897 HydrophobicContact CB-CE 4.14Å; A877-L899 HydrophobicContact CB-CD1 3.84Å; A877-L899 HydrophobicContact CB-CG 4.34Å
878	V	98.6	Very high	93.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.9	166.8	-178	0	0	0	0	107	I851 Y857 V875 F883 L891 I896 M897 L899	I851-V878 HydrophobicContact CB-CG1 4.2Å; I851-V878 HydrophobicContact CB-CG2 4.28Å; I851-V878 HydrophobicContact CG2-CG1 4.24Å; I851-V878 CarbonylContact O-C 3.56Å; I851-V878 WeakPolarHBondContact O-CA 3.45Å; Y857-V878 HydrophobicContact CD1-CG1 4.02Å; Y857-V878 HydrophobicContact CE1-CG1 3.81Å; Y857-V878 HydrophobicContact CE1-CG2 4.38Å; V875-V878 HydrophobicContact CG1-CG2 4.4Å; V878-F883 HydrophobicContact CB-CE1 3.95Å; V878-F883 HydrophobicContact CB-CZ 4.05Å; V878-F883 HydrophobicContact CG1-CE1 3.77Å; V878-F883 HydrophobicContact CG1-CZ 3.94Å; V878-L891 HydrophobicContact CB-CD1 4.42Å; V878-L891 HydrophobicContact CG2-CD1 4.13Å; V878-L891 HydrophobicContact CG2-CD2 4.45Å; V878-I896 HydrophobicContact CG2-CG2 4.13Å; V878-M897 PolarHBondContact N-O 3.36Å; V878-L899 WeakPolarHBondContact O-CA 3.43Å; V878-L899 WeakPolarHBondContact O-CB 3.25Å; V878-L899 PolarHBondContact O-N 2.66Å
879	I	98.4	Very high	93	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.8	173.5	-45	179.7	0	0	0	108.2	I850 I851 L852 A853 L899 F901 V934 V944	I850-I879 HydrophobicContact CD1-CD1 3.89Å; I850-I879 HydrophobicContact CD1-CG1 4.44Å; I851-I879 PolarHBondContact O-N 2.79Å; L852-I879 CarbonylContact C-O 3.56Å; L852-I879 WeakPolarHBondContact CA-O 3.32Å; L852-I879 HydrophobicContact CD2-CB 3.86Å; L852-I879 HydrophobicContact CD2-CD1 4.01Å; L852-I879 HydrophobicContact CD2-CG1 4.21Å; A853-I879 PolarHBondContact N-O 3.45Å; I879-L899 CarbonylContact C-O 3.25Å; I879-L899 VanDerWaalsContact CA-O 3.27Å; I879-L899 WeakPolarHBondContact CA-O 3.46Å; I879-L899 HydrophobicContact CB-CB 4.41Å; I879-L899 HydrophobicContact CD1-CD1 4.35Å; I879-L899 HydrophobicContact CG1-CB 4.08Å; I879-L899 HydrophobicContact CG1-CD1 3.91Å; I879-L899 HydrophobicContact CG2-CB 4.36Å; I879-F901 HydrophobicContact CB-CZ 4.45Å; I879-F901 HydrophobicContact CG2-CD1 4.14Å; I879-F901 HydrophobicContact CG2-CD2 4.23Å; I879-F901 HydrophobicContact CG2-CE1 3.74Å; I879-F901 HydrophobicContact CG2-CE2 3.83Å; I879-F901 HydrophobicContact CG2-CG 4.37Å; I879-F901 HydrophobicContact CG2-CZ 3.57Å; I879-V934 HydrophobicContact CD1-CG1 4.41Å; I879-V934 HydrophobicContact CD1-CG2 4.37Å; I879-V944 HydrophobicContact CG2-CG1 4.05Å
880	A	98.1	Very high	92.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	162.3	-176.1	0	0	0	0	0	112.6	A853 F883 L899 Q900 F901	A853-A880 HydrophobicContact CB-CB 4.06Å; A853-A880 WeakPolarHBondContact O-CA 3.2Å; A880-F883 HydrophobicContact CB-CD2 4.16Å; A880-F883 HydrophobicContact CB-CE1 4.17Å; A880-F883 HydrophobicContact CB-CE2 3.66Å; A880-F883 HydrophobicContact CB-CZ 3.65Å; A880-L899 PolarHBondContact N-O 2.81Å; A880-Q900 WeakPolarHBondContact O-CA 3.33Å; A880-F901 WeakPolarHBondContact O-CD2 3.32Å; A880-F901 PolarHBondContact O-N 3.05Å
881	E	97.1	Very high	92.4	Very high	41 Å²	41	24.1 Å²	24.1	19%	0.192	12%	0.116	C	C	.	.	S	Bend	trans	-74	-38.8	170.7	-66	-171.4	-140.3	0	0	111.4	G854 K855 Q900 F901 N906	G854-E881 PolarHBondContact O-N 3.39Å; K855-E881 WeakPolarHBondContact CE-OE2 3.48Å; K855-E881 HydrophobicContact CG-CB 3.71Å; K855-E881 HydrophobicContact CG-CG 4.43Å; K855-E881 IonicContact NZ-OE2 2.74Å; E881-Q900 VanDerWaalsContact O-CG 3.26Å; E881-Q900 WeakPolarHBondContact O-CG 3.48Å; E881-Q900 PolarHBondContact O-NE2 3.14Å; E881-F901 HydrophobicContact CG-CD2 4.1Å; E881-N906 HydrophobicContact CG-CB 3.53Å; E881-N906 WeakPolarHBondContact OE1-CB 3.45Å; E881-N906 PolarHBondContact OE1-ND2 3.45Å
882	S	94.9	Very high	92.1	Very high	27 Å²	27	22.6 Å²	22.6	19%	0.189	11%	0.11	C	C	.	.			trans	-154.2	154.2	169.8	61.2	0	0	0	0	111	K855 D856 Y857	K855-S882 WeakPolarHBondContact CA-OG 3.44Å; D856-S882 PolarHBondContact N-O 3.08Å; D856-S882 PolarHBondContact N-OG 2.92Å; D856-S882 PolarHBondContact OD1-OG 3Å; Y857-S882 PolarHBondContact N-O 3.01Å; Y857-S882 VanDerWaalsContact N-O 3.07Å
883	F	92.6	Very high	91.7	Very high	26 Å²	26	21.7 Å²	21.7	11%	0.114	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-111.5	150.3	173.7	-66.3	-98.9	0	0	0	109.6	Y857 V878 A880 K888 L891 P898 L899 L947	Y857-F883 AromaticContact CD1-CD1 3.8Å; Y857-F883 HydrophobicContact CD1-CD1 3.8Å; Y857-F883 AromaticContact CD1-CE1 3.79Å; Y857-F883 HydrophobicContact CD1-CE1 3.79Å; Y857-F883 HydrophobicContact CE1-CE1 4.39Å; V878-F883 HydrophobicContact CB-CE1 3.95Å; V878-F883 HydrophobicContact CB-CZ 4.05Å; V878-F883 HydrophobicContact CG1-CE1 3.77Å; V878-F883 HydrophobicContact CG1-CZ 3.94Å; A880-F883 HydrophobicContact CB-CD2 4.16Å; A880-F883 HydrophobicContact CB-CE1 4.17Å; A880-F883 HydrophobicContact CB-CE2 3.66Å; A880-F883 HydrophobicContact CB-CZ 3.65Å; F883-K888 HydrophobicContact CB-CB 3.95Å; F883-K888 HydrophobicContact CG-CB 4.42Å; F883-L891 HydrophobicContact CD1-CD1 3.99Å; F883-L891 HydrophobicContact CE1-CD1 3.66Å; F883-P898 HydrophobicContact CE1-CB 4.1Å; F883-P898 HydrophobicContact CE2-CB 4.16Å; F883-P898 HydrophobicContact CZ-CB 3.92Å; F883-L899 WeakPolarHBondContact CE2-O 3.5Å; F883-L947 HydrophobicContact CD2-CD1 3.64Å; F883-L947 HydrophobicContact CE2-CD1 4.15Å
884	E	84.6	Confident	91.4	Very high	56 Å²	56	22.1 Å²	22.1	26%	0.262	11%	0.109	S	C	.	.			trans	-67.6	140.8	158.6	-167.5	-69.1	122.7	0	0	109	Y857 L886 H887 K888	Y857-E884 PolarHBondContact O-N 3.39Å; E884-L886 VanDerWaalsContact CD-N 3.32Å; E884-L886 PolarHBondContact O-N 2.95Å; E884-L886 PolarHBondContact OE1-N 2.94Å; E884-L886 WeakPolarHBondContact OE2-CA 3.3Å; E884-L886 WeakPolarHBondContact OE2-CB 3.14Å; E884-L886 PolarHBondContact OE2-N 3.24Å; E884-H887 HydrophobicContact CB-CB 4.47Å; E884-H887 PolarHBondContact O-N 3.21Å; E884-H887 PolarHBondContact OE2-N 3.43Å; E884-K888 WeakPolarHBondContact O-CB 3.32Å; E884-K888 PolarHBondContact O-N 3.08Å
885	K	78.3	Confident	91.2	Very high	91 Å²	91	22.4 Å²	22.4	40%	0.396	11%	0.112	S	C	.	.	H	α-helix	trans	-60	-47.7	-169.3	-177.2	-173.8	174.3	-170.8	0	112.1	T321 S889	T321-K885 PolarHBondContact OG1-NZ 3.2Å; K885-S889 PolarHBondContact O-N 3.25Å; K885-S889 PolarHBondContact O-OG 3.05Å
886	L	76.5	Confident	91.1	Very high	37 Å²	37	22.4 Å²	22.4	19%	0.194	11%	0.112	C	C	.	.	H	α-helix	trans	-66.5	-45.4	179.9	149.2	72.6	0	0	0	110.7	E308 S862 E884 K888 S889 Q890	E308-L886 HydrophobicContact CG-CD1 4.17Å; E308-L886 WeakPolarHBondContact OE1-CD1 3.44Å; E308-L886 WeakPolarHBondContact OE2-CD1 3.42Å; S862-L886 WeakPolarHBondContact OG-CD1 3.43Å; S862-L886 WeakPolarHBondContact OG-CD2 3.46Å; E884-L886 VanDerWaalsContact CD-N 3.32Å; E884-L886 PolarHBondContact O-N 2.95Å; E884-L886 PolarHBondContact OE1-N 2.94Å; E884-L886 WeakPolarHBondContact OE2-CA 3.3Å; E884-L886 WeakPolarHBondContact OE2-CB 3.14Å; E884-L886 PolarHBondContact OE2-N 3.24Å; L886-K888 VanDerWaalsContact C-N 3.34Å; L886-K888 PolarHBondContact O-N 2.9Å; L886-S889 WeakPolarHBondContact O-CB 3.44Å; L886-S889 PolarHBondContact O-N 2.94Å; L886-Q890 HydrophobicContact CD1-CG 4.33Å; L886-Q890 WeakPolarHBondContact O-CG 3.49Å; L886-Q890 PolarHBondContact O-N 3.42Å; L886-Q890 VanDerWaalsContact O-N 3.13Å
887	H	86.6	Confident	91.1	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	9%	0.094	C	C	.	.	H	α-helix	trans	-63.4	-38.7	179.1	-173.4	53	0	0	0	112.8	Y857 G858 V866 E884 S889 Q890 L891	Y857-H887 AromaticContact CD1-CD2 3.7Å; Y857-H887 AromaticContact CD1-NE2 3.87Å; Y857-H887 AromaticContact CE1-CD2 3.59Å; Y857-H887 AromaticContact CE1-NE2 3.24Å; Y857-H887 WeakPolarHBondContact CE1-NE2 3.32Å; G858-H887 WeakPolarHBondContact CA-CD2 3.21Å; V866-H887 WeakPolarHBondContact CG2-ND1 3.49Å; E884-H887 HydrophobicContact CB-CB 4.47Å; E884-H887 PolarHBondContact O-N 3.21Å; E884-H887 PolarHBondContact OE2-N 3.43Å; H887-S889 VanDerWaalsContact C-N 3.34Å; H887-S889 PolarHBondContact O-N 3.43Å; H887-Q890 PolarHBondContact ND1-OE1 3Å; H887-Q890 WeakPolarHBondContact O-CB 3.39Å; H887-Q890 PolarHBondContact O-N 3.29Å; H887-Q890 VanDerWaalsContact O-N 3.17Å; H887-L891 WeakPolarHBondContact O-CG 3.48Å; H887-L891 PolarHBondContact O-N 2.78Å
888	K	90.1	Very high	91	Very high	17 Å²	17	17.5 Å²	17.5	7%	0.074	9%	0.094	C	C	.	.	H	α-helix	trans	-55	-48.1	172.3	176.2	-142.2	69.7	-170.6	0	111.3	F883 E884 L886 Q890 L891 V892 P898 L947 D949	F883-K888 HydrophobicContact CB-CB 3.95Å; F883-K888 HydrophobicContact CG-CB 4.42Å; E884-K888 WeakPolarHBondContact O-CB 3.32Å; E884-K888 PolarHBondContact O-N 3.08Å; L886-K888 VanDerWaalsContact C-N 3.34Å; L886-K888 PolarHBondContact O-N 2.9Å; K888-Q890 VanDerWaalsContact C-N 3.29Å; K888-Q890 PolarHBondContact O-N 2.76Å; K888-L891 WeakPolarHBondContact O-CB 3.48Å; K888-L891 PolarHBondContact O-N 3.24Å; K888-V892 PolarHBondContact O-N 2.73Å; K888-V892 VanDerWaalsContact O-N 3.16Å; K888-P898 HydrophobicContact CG-CB 4.05Å; K888-P898 HydrophobicContact CG-CG 3.99Å; K888-L947 HydrophobicContact CD-CB 3.99Å; K888-L947 HydrophobicContact CD-CD1 4.41Å; K888-L947 HydrophobicContact CG-CB 4.17Å; K888-D949 IonicContact NZ-OD2 4Å; K888-D949 PolarHBondContact NZ-OD2 3.48Å
889	S	83.7	Confident	91	Very high	37 Å²	37	17.5 Å²	17.5	26%	0.259	9%	0.094	S	C	.	.	H	α-helix	trans	-60.9	-36.5	177.8	-54.9	0	0	0	0	112.5	K885 L886 H887 V892 G893	K885-S889 PolarHBondContact O-N 3.25Å; K885-S889 PolarHBondContact O-OG 3.05Å; L886-S889 WeakPolarHBondContact O-CB 3.44Å; L886-S889 PolarHBondContact O-N 2.94Å; H887-S889 VanDerWaalsContact C-N 3.34Å; H887-S889 PolarHBondContact O-N 3.43Å; S889-V892 PolarHBondContact O-N 2.91Å; S889-G893 PolarHBondContact O-N 2.91Å
890	Q	87.4	Confident	91	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-66.6	-37.4	175.9	-64.9	167.4	-15.5	0	0	112.9	I307 S862 A867 L886 H887 K888 G893 M894	I307-Q890 HydrophobicContact CB-CG 4.34Å; I307-Q890 HydrophobicContact CD1-CB 3.98Å; I307-Q890 HydrophobicContact CD1-CG 4.14Å; S862-Q890 PolarHBondContact OG-NE2 2.99Å; A867-Q890 HydrophobicContact CB-CB 3.91Å; A867-Q890 VanDerWaalsContact CB-O 3.23Å; A867-Q890 WeakPolarHBondContact CB-O 3.36Å; L886-Q890 HydrophobicContact CD1-CG 4.33Å; L886-Q890 WeakPolarHBondContact O-CG 3.49Å; L886-Q890 PolarHBondContact O-N 3.42Å; L886-Q890 VanDerWaalsContact O-N 3.13Å; H887-Q890 PolarHBondContact ND1-OE1 3Å; H887-Q890 WeakPolarHBondContact O-CB 3.39Å; H887-Q890 PolarHBondContact O-N 3.29Å; H887-Q890 VanDerWaalsContact O-N 3.17Å; K888-Q890 VanDerWaalsContact C-N 3.29Å; K888-Q890 PolarHBondContact O-N 2.76Å; Q890-G893 PolarHBondContact O-N 2.74Å; Q890-M894 PolarHBondContact O-N 3.32Å
891	L	92.9	Very high	91	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.9	-48.2	174.6	-66.4	175.6	0	0	0	110.8	Y857 A867 V878 F883 H887 K888 G893 M894 G895 I896 P898	Y857-L891 HydrophobicContact CE1-CD1 4.47Å; A867-L891 HydrophobicContact CB-CD2 4.31Å; V878-L891 HydrophobicContact CB-CD1 4.42Å; V878-L891 HydrophobicContact CG2-CD1 4.13Å; V878-L891 HydrophobicContact CG2-CD2 4.45Å; F883-L891 HydrophobicContact CD1-CD1 3.99Å; F883-L891 HydrophobicContact CE1-CD1 3.66Å; H887-L891 WeakPolarHBondContact O-CG 3.48Å; H887-L891 PolarHBondContact O-N 2.78Å; K888-L891 WeakPolarHBondContact O-CB 3.48Å; K888-L891 PolarHBondContact O-N 3.24Å; L891-G893 PolarHBondContact O-N 3.39Å; L891-M894 CarbonylContact O-C 3.56Å; L891-M894 PolarHBondContact O-N 3.31Å; L891-M894 VanDerWaalsContact O-N 3.15Å; L891-G895 PolarHBondContact O-N 3.39Å; L891-G895 VanDerWaalsContact O-N 3.15Å; L891-I896 CarbonylContact C-O 3.59Å; L891-I896 VanDerWaalsContact C-O 3.25Å; L891-I896 HydrophobicContact CB-CB 4.19Å; L891-I896 HydrophobicContact CD2-CB 4.16Å; L891-I896 HydrophobicContact CD2-CD1 3.92Å; L891-I896 HydrophobicContact CD2-CG2 4.14Å; L891-I896 PolarHBondContact O-N 3.48Å; L891-I896 VanDerWaalsContact O-O 3.12Å; L891-P898 HydrophobicContact CD1-CB 4.39Å
892	V	91.1	Very high	90.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-58.3	-46.9	174.8	177.3	0	0	0	0	111	K888 S889 M894 G895 P898 F948 D953	K888-V892 PolarHBondContact O-N 2.73Å; K888-V892 VanDerWaalsContact O-N 3.16Å; S889-V892 PolarHBondContact O-N 2.91Å; V892-M894 PolarHBondContact O-N 2.96Å; V892-M894 VanDerWaalsContact O-N 3.14Å; V892-G895 PolarHBondContact O-N 2.88Å; V892-P898 HydrophobicContact CG2-CG 3.8Å; V892-F948 HydrophobicContact CG1-CD1 4.18Å; V892-F948 HydrophobicContact CG1-CE1 4.38Å; V892-F948 HydrophobicContact CG2-CD1 3.9Å; V892-F948 HydrophobicContact CG2-CE1 4.06Å; V892-D953 HydrophobicContact CG1-CB 3.84Å
893	G	87.6	Confident	90.8	Very high	7 Å²	7	24.7 Å²	24.7	7%	0.072	14%	0.141	C	C	.	.	H	α-helix	trans	-58.3	-26.1	177.9	0	0	0	0	0	114.2	S889 Q890 L891 G961 L962	S889-G893 PolarHBondContact O-N 2.91Å; Q890-G893 PolarHBondContact O-N 2.74Å; L891-G893 PolarHBondContact O-N 3.39Å; G893-G961 CarbonylContact O-C 3.57Å; G893-G961 WeakPolarHBondContact O-CA 3.44Å; G893-L962 PolarHBondContact O-N 3.49Å
894	M	91.8	Very high	90.6	Very high	10 Å²	10	27 Å²	27	5%	0.049	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	2.3	173.3	-67.8	-55	-51.3	0	0	114.4	I307 F731 A867 K868 Y871 Q890 L891 V892	I307-M894 HydrophobicContact CD1-CG 4.27Å; F731-M894 HydrophobicContact CD1-CE 3.92Å; F731-M894 HydrophobicContact CE1-CE 3.88Å; F731-M894 HydrophobicContact CZ-CE 4.44Å; A867-M894 HydrophobicContact CB-CB 4.13Å; A867-M894 HydrophobicContact CB-CG 3.61Å; K868-M894 HydrophobicContact CD-SD 4.46Å; K868-M894 HydrophobicContact CG-CE 3.87Å; K868-M894 HydrophobicContact CG-CG 4.17Å; K868-M894 HydrophobicContact CG-SD 3.55Å; K868-M894 VanDerWaalsContact CG-SD 3.55Å; Y871-M894 HydrophobicContact CD1-CE 4.16Å; Y871-M894 WeakPolarHBondContact CD2-O 3.3Å; Y871-M894 WeakPolarHBondContact CE2-O 3.39Å; Y871-M894 HydrophobicContact CG-CE 4.11Å; Q890-M894 PolarHBondContact O-N 3.32Å; L891-M894 CarbonylContact O-C 3.56Å; L891-M894 PolarHBondContact O-N 3.31Å; L891-M894 VanDerWaalsContact O-N 3.15Å; V892-M894 PolarHBondContact O-N 2.96Å; V892-M894 VanDerWaalsContact O-N 3.14Å
895	G	91.7	Very high	91.1	Very high	14 Å²	14	27.6 Å²	27.6	14%	0.144	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	22.2	-177.7	0	0	0	0	0	114.5	L891 V892	L891-G895 PolarHBondContact O-N 3.39Å; L891-G895 VanDerWaalsContact O-N 3.15Å; V892-G895 PolarHBondContact O-N 2.88Å
896	I	95.8	Very high	91.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.163	C	C	.	.			trans	-92.1	127.9	168.3	-56	176.3	0	0	0	107.8	P870 Y871 V875 V878 L891 P898	P870-I896 HydrophobicContact CB-CD1 4Å; Y871-I896 HydrophobicContact CD2-CG1 4.38Å; V875-I896 HydrophobicContact CG1-CG2 4.29Å; V878-I896 HydrophobicContact CG2-CG2 4.13Å; L891-I896 CarbonylContact C-O 3.59Å; L891-I896 VanDerWaalsContact C-O 3.25Å; L891-I896 HydrophobicContact CB-CB 4.19Å; L891-I896 HydrophobicContact CD2-CB 4.16Å; L891-I896 HydrophobicContact CD2-CD1 3.92Å; L891-I896 HydrophobicContact CD2-CG2 4.14Å; L891-I896 PolarHBondContact O-N 3.48Å; L891-I896 VanDerWaalsContact O-O 3.12Å; I896-P898 VanDerWaalsContact O-CD 3.24Å; I896-P898 WeakPolarHBondContact O-CD 3.5Å
897	M	96.8	Very high	92.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	117	-177.8	-175.6	166.7	47.5	0	0	111.8	I745 R876 A877 V878 L899 V920 L922 L932 F948 F957	I745-M897 HydrophobicContact CD1-CE 3.81Å; R876-M897 PolarHBondContact O-N 3.27Å; A877-M897 VanDerWaalsContact CA-O 3.25Å; A877-M897 WeakPolarHBondContact CA-O 3.39Å; A877-M897 HydrophobicContact CB-CB 4.12Å; A877-M897 HydrophobicContact CB-CE 4.14Å; V878-M897 PolarHBondContact N-O 3.36Å; M897-L899 HydrophobicContact CE-CD1 4.11Å; M897-L899 HydrophobicContact CE-CD2 4.15Å; M897-L899 HydrophobicContact CE-CG 4.38Å; M897-L899 HydrophobicContact CG-CD2 3.6Å; M897-L899 HydrophobicContact CG-CG 3.97Å; M897-L899 PolarHBondContact O-N 2.94Å; M897-L899 HydrophobicContact SD-CD2 3.75Å; M897-L899 HydrophobicContact SD-CG 4.47Å; M897-V920 HydrophobicContact CE-CG1 4Å; M897-L922 HydrophobicContact CE-CD2 4.23Å; M897-L922 HydrophobicContact SD-CD2 4Å; M897-L932 HydrophobicContact CE-CD1 4.38Å; M897-L932 HydrophobicContact SD-CD1 3.64Å; M897-F948 HydrophobicContact CB-CZ 4.33Å; M897-F948 HydrophobicContact CG-CE2 4.21Å; M897-F948 HydrophobicContact CG-CZ 3.83Å; M897-F948 HydrophobicContact SD-CE2 4.38Å; M897-F948 HydrophobicContact SD-CZ 4.41Å; M897-F957 HydrophobicContact CB-CE2 3.9Å; M897-F957 HydrophobicContact CB-CZ 4.26Å; M897-F957 HydrophobicContact SD-CZ 4.27Å
898	P	97.2	Very high	93.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	114.8	171.5	32.4	-31.6	0	0	0	109.8	F883 K888 L891 V892 I896 L947	F883-P898 HydrophobicContact CE1-CB 4.1Å; F883-P898 HydrophobicContact CE2-CB 4.16Å; F883-P898 HydrophobicContact CZ-CB 3.92Å; K888-P898 HydrophobicContact CG-CB 4.05Å; K888-P898 HydrophobicContact CG-CG 3.99Å; L891-P898 HydrophobicContact CD1-CB 4.39Å; V892-P898 HydrophobicContact CG2-CG 3.8Å; I896-P898 VanDerWaalsContact O-CD 3.24Å; I896-P898 WeakPolarHBondContact O-CD 3.5Å; P898-L947 HydrophobicContact CB-CB 4.27Å; P898-L947 HydrophobicContact CG-CB 4.01Å; P898-L947 PolarHBondContact O-N 3.43Å
899	L	98.2	Very high	93.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.5	179.8	-61.4	177.2	0	0	0	109.7	A877 V878 I879 A880 F883 M897 V920 L932 V944 T945 A946	A877-L899 HydrophobicContact CB-CD1 3.84Å; A877-L899 HydrophobicContact CB-CG 4.34Å; V878-L899 WeakPolarHBondContact O-CA 3.43Å; V878-L899 WeakPolarHBondContact O-CB 3.25Å; V878-L899 PolarHBondContact O-N 2.66Å; I879-L899 CarbonylContact C-O 3.25Å; I879-L899 VanDerWaalsContact CA-O 3.27Å; I879-L899 WeakPolarHBondContact CA-O 3.46Å; I879-L899 HydrophobicContact CB-CB 4.41Å; I879-L899 HydrophobicContact CD1-CD1 4.35Å; I879-L899 HydrophobicContact CG1-CB 4.08Å; I879-L899 HydrophobicContact CG1-CD1 3.91Å; I879-L899 HydrophobicContact CG2-CB 4.36Å; A880-L899 PolarHBondContact N-O 2.81Å; F883-L899 WeakPolarHBondContact CE2-O 3.5Å; M897-L899 HydrophobicContact CE-CD1 4.11Å; M897-L899 HydrophobicContact CE-CD2 4.15Å; M897-L899 HydrophobicContact CE-CG 4.38Å; M897-L899 HydrophobicContact CG-CD2 3.6Å; M897-L899 HydrophobicContact CG-CG 3.97Å; M897-L899 PolarHBondContact O-N 2.94Å; M897-L899 HydrophobicContact SD-CD2 3.75Å; M897-L899 HydrophobicContact SD-CG 4.47Å; L899-V920 HydrophobicContact CD1-CG1 4.21Å; L899-V920 HydrophobicContact CD1-CG2 4.19Å; L899-L932 HydrophobicContact CD2-CD1 4Å; L899-V944 HydrophobicContact CB-CB 4.26Å; L899-V944 HydrophobicContact CB-CG2 4.14Å; L899-V944 HydrophobicContact CD1-CG2 4.14Å; L899-V944 HydrophobicContact CD2-CG2 3.92Å; L899-V944 HydrophobicContact CG-CG2 4.29Å; L899-T945 WeakPolarHBondContact CA-O 3.48Å; L899-A946 HydrophobicContact CD2-CB 4.02Å
900	Q	98.1	Very high	94	Very high	50 Å²	50	30.1 Å²	30.1	23%	0.234	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.8	174.2	-157.7	-179.1	-3.9	0	0	110.3	A880 E881 V944 T945 L947	A880-Q900 WeakPolarHBondContact O-CA 3.33Å; E881-Q900 VanDerWaalsContact O-CG 3.26Å; E881-Q900 WeakPolarHBondContact O-CG 3.48Å; E881-Q900 PolarHBondContact O-NE2 3.14Å; Q900-V944 CarbonylContact O-C 3.52Å; Q900-V944 WeakPolarHBondContact O-CA 3.29Å; Q900-V944 VanDerWaalsContact O-CB 3.32Å; Q900-V944 WeakPolarHBondContact O-CB 3.27Å; Q900-T945 PolarHBondContact N-O 3.29Å; Q900-T945 PolarHBondContact O-N 2.94Å; Q900-L947 HydrophobicContact CB-CD1 3.98Å; Q900-L947 HydrophobicContact CB-CD2 4.07Å; Q900-L947 HydrophobicContact CB-CG 4.01Å
901	F	97.9	Very high	94.4	Very high	7 Å²	7	38.3 Å²	38.3	3%	0.031	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	148	164.7	-65.8	-75.1	0	0	0	110.4	I879 A880 E881 Q905 A907 L910 L912 F942	I879-F901 HydrophobicContact CB-CZ 4.45Å; I879-F901 HydrophobicContact CG2-CD1 4.14Å; I879-F901 HydrophobicContact CG2-CD2 4.23Å; I879-F901 HydrophobicContact CG2-CE1 3.74Å; I879-F901 HydrophobicContact CG2-CE2 3.83Å; I879-F901 HydrophobicContact CG2-CG 4.37Å; I879-F901 HydrophobicContact CG2-CZ 3.57Å; A880-F901 WeakPolarHBondContact O-CD2 3.32Å; A880-F901 PolarHBondContact O-N 3.05Å; E881-F901 HydrophobicContact CG-CD2 4.1Å; F901-Q905 HydrophobicContact CB-CB 4.37Å; F901-Q905 WeakPolarHBondContact CB-O 3.38Å; F901-A907 HydrophobicContact CZ-CB 4.22Å; F901-L910 HydrophobicContact CD1-CD1 3.91Å; F901-L910 HydrophobicContact CE1-CD1 3.91Å; F901-L912 HydrophobicContact CE1-CD1 4.17Å; F901-L912 HydrophobicContact CZ-CD1 4.44Å; F901-F942 HydrophobicContact CD1-CD2 4.34Å; F901-F942 HydrophobicContact CD1-CE2 4.03Å; F901-F942 HydrophobicContact CE1-CD2 4.37Å; F901-F942 AromaticContact CE1-CE2 3.71Å; F901-F942 HydrophobicContact CE1-CE2 3.71Å; F901-F942 HydrophobicContact CE1-CZ 4.27Å
902	V	96.1	Very high	94.6	Very high	31 Å²	31	38.6 Å²	38.6	19%	0.188	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-66.3	154.4	172.3	-66.3	0	0	0	0	110.7	G904 Q905	V902-G904 PolarHBondContact O-N 3.03Å; V902-Q905 HydrophobicContact CG2-CB 4.12Å; V902-Q905 HydrophobicContact CG2-CG 3.83Å; V902-Q905 VanDerWaalsContact CG2-OE1 3.28Å; V902-Q905 WeakPolarHBondContact O-CB 3.46Å; V902-Q905 PolarHBondContact O-N 3.37Å
903	S	91.1	Very high	94.8	Very high	132 Å²	132	40.5 Å²	40.5	92%	0.923	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53	129.3	-173.6	-168	0	0	0	0	112.4	Q905	S903-Q905 VanDerWaalsContact C-N 3.31Å
904	G	88.8	Confident	95.1	Very high	74 Å²	74	40.1 Å²	40.1	76%	0.763	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	83	-5	-177.1	0	0	0	0	0	115.5	V902	V902-G904 PolarHBondContact O-N 3.03Å
905	Q	94.5	Very high	95.4	Very high	68 Å²	68	45.3 Å²	45.3	32%	0.318	27%	0.266	S	S	.	.			trans	-102.8	148.2	172.1	-65.3	-174.2	1	0	0	112	F901 V902 S903 L910	F901-Q905 HydrophobicContact CB-CB 4.37Å; F901-Q905 WeakPolarHBondContact CB-O 3.38Å; V902-Q905 HydrophobicContact CG2-CB 4.12Å; V902-Q905 HydrophobicContact CG2-CG 3.83Å; V902-Q905 VanDerWaalsContact CG2-OE1 3.28Å; V902-Q905 WeakPolarHBondContact O-CB 3.46Å; V902-Q905 PolarHBondContact O-N 3.37Å; S903-Q905 VanDerWaalsContact C-N 3.31Å; Q905-L910 HydrophobicContact CB-CD1 4.31Å; Q905-L910 HydrophobicContact CB-CG 4.49Å
906	N	95.4	Very high	95.6	Very high	29 Å²	29	44.8 Å²	44.8	16%	0.155	26%	0.26	C	S	.	.			trans	-153.4	-180	167.6	72.1	8.8	0	0	0	110.8	E881 D908 T909 L910	E881-N906 HydrophobicContact CG-CB 3.53Å; E881-N906 WeakPolarHBondContact OE1-CB 3.45Å; E881-N906 PolarHBondContact OE1-ND2 3.45Å; N906-D908 VanDerWaalsContact C-N 3.26Å; N906-D908 PolarHBondContact O-N 2.93Å; N906-D908 PolarHBondContact OD1-N 3.49Å; N906-T909 PolarHBondContact N-OG1 3.02Å; N906-T909 PolarHBondContact O-N 3.23Å; N906-T909 PolarHBondContact O-OG1 2.97Å; N906-T909 WeakPolarHBondContact OD1-CG2 3.41Å; N906-T909 PolarHBondContact OD1-N 3.34Å; N906-T909 PolarHBondContact OD1-OG1 3.27Å; N906-L910 WeakPolarHBondContact O-CB 3.3Å; N906-L910 WeakPolarHBondContact O-CG 3.49Å; N906-L910 PolarHBondContact O-N 2.75Å; N906-L910 VanDerWaalsContact O-N 3.16Å
907	A	95.7	Very high	95.7	Very high	6 Å²	6	50.6 Å²	50.6	5%	0.05	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-34.5	-178.4	0	0	0	0	0	114.1	F753 F901 E911 L912	F753-A907 HydrophobicContact CE2-CB 3.65Å; F753-A907 HydrophobicContact CZ-CB 3.62Å; F901-A907 HydrophobicContact CZ-CB 4.22Å; A907-E911 PolarHBondContact O-N 3.12Å; A907-L912 HydrophobicContact CB-CB 4.26Å; A907-L912 WeakPolarHBondContact O-CB 3.44Å; A907-L912 PolarHBondContact O-N 3.18Å
908	D	94.8	Very high	95.8	Very high	88 Å²	88	50.5 Å²	50.5	47%	0.471	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-43	-179.2	-66.2	-49.1	0	0	0	112.1	R815 N906 L910 E911	R815-D908 IonicContact CZ-OD1 2.96Å; R815-D908 VanDerWaalsContact CZ-OD1 3.3Å; R815-D908 IonicContact CZ-OD2 3.16Å; R815-D908 VanDerWaalsContact NH1-CG 3.32Å; R815-D908 IonicContact NH1-OD1 3.02Å; R815-D908 PolarHBondContact NH1-OD1 2.89Å; R815-D908 IonicContact NH1-OD2 3.75Å; R815-D908 PolarHBondContact NH1-OD2 2.85Å; R815-D908 IonicContact NH2-OD1 2.8Å; R815-D908 PolarHBondContact NH2-OD1 3.03Å; R815-D908 IonicContact NH2-OD2 2.73Å; N906-D908 VanDerWaalsContact C-N 3.26Å; N906-D908 PolarHBondContact O-N 2.93Å; N906-D908 PolarHBondContact OD1-N 3.49Å; D908-L910 PolarHBondContact O-N 2.96Å; D908-E911 PolarHBondContact O-N 3.2Å; D908-E911 VanDerWaalsContact O-N 3.08Å
909	T	96.1	Very high	95.8	Very high	86 Å²	86	51.5 Å²	51.5	53%	0.528	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.3	174.8	58.6	0	0	0	0	113.9	N906	N906-T909 PolarHBondContact N-OG1 3.02Å; N906-T909 PolarHBondContact O-N 3.23Å; N906-T909 PolarHBondContact O-OG1 2.97Å; N906-T909 WeakPolarHBondContact OD1-CG2 3.41Å; N906-T909 PolarHBondContact OD1-N 3.34Å; N906-T909 PolarHBondContact OD1-OG1 3.27Å
910	L	94.9	Very high	95.7	Very high	28 Å²	28	51.5 Å²	51.5	15%	0.147	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	7.5	177.6	-66.9	172.8	0	0	0	112.6	F901 Q905 N906 D908 L912 F942	F901-L910 HydrophobicContact CD1-CD1 3.91Å; F901-L910 HydrophobicContact CE1-CD1 3.91Å; Q905-L910 HydrophobicContact CB-CD1 4.31Å; Q905-L910 HydrophobicContact CB-CG 4.49Å; N906-L910 WeakPolarHBondContact O-CB 3.3Å; N906-L910 WeakPolarHBondContact O-CG 3.49Å; N906-L910 PolarHBondContact O-N 2.75Å; N906-L910 VanDerWaalsContact O-N 3.16Å; D908-L910 PolarHBondContact O-N 2.96Å; L910-L912 HydrophobicContact CB-CD1 4.18Å; L910-L912 HydrophobicContact CB-CD2 4.38Å; L910-L912 HydrophobicContact CB-CG 3.81Å; L910-L912 HydrophobicContact CD1-CD1 4.38Å; L910-L912 PolarHBondContact O-N 3.37Å; L910-L912 VanDerWaalsContact O-N 3.11Å; L910-F942 HydrophobicContact CD1-CB 4Å; L910-F942 HydrophobicContact CD1-CD1 4.23Å; L910-F942 HydrophobicContact CD1-CD2 3.71Å; L910-F942 HydrophobicContact CD1-CE2 4.19Å; L910-F942 HydrophobicContact CD1-CG 3.73Å; L910-F942 HydrophobicContact CD2-CB 4.11Å
911	E	95.4	Very high	95.4	Very high	172 Å²	172	51.5 Å²	51.5	80%	0.804	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	29.1	-178.7	-56.5	-173	169	0	0	114.3	A907 D908 S913	A907-E911 PolarHBondContact O-N 3.12Å; D908-E911 PolarHBondContact O-N 3.2Å; D908-E911 VanDerWaalsContact O-N 3.08Å; E911-S913 PolarHBondContact O-N 3.29Å
912	L	96.7	Very high	95	Very high	7 Å²	7	52.4 Å²	52.4	4%	0.037	30%	0.302	C	S	.	.			trans	-74.4	118	-178.1	-58.8	-178.6	0	0	0	110.2	F753 F901 A907 L910 G914 F918 T936 F942	F753-L912 WeakPolarHBondContact CE1-O 3.31Å; F901-L912 HydrophobicContact CE1-CD1 4.17Å; F901-L912 HydrophobicContact CZ-CD1 4.44Å; A907-L912 HydrophobicContact CB-CB 4.26Å; A907-L912 WeakPolarHBondContact O-CB 3.44Å; A907-L912 PolarHBondContact O-N 3.18Å; L910-L912 HydrophobicContact CB-CD1 4.18Å; L910-L912 HydrophobicContact CB-CD2 4.38Å; L910-L912 HydrophobicContact CB-CG 3.81Å; L910-L912 HydrophobicContact CD1-CD1 4.38Å; L910-L912 PolarHBondContact O-N 3.37Å; L910-L912 VanDerWaalsContact O-N 3.11Å; L912-G914 VanDerWaalsContact C-N 3.33Å; L912-F918 HydrophobicContact CD1-CE1 4.38Å; L912-F918 HydrophobicContact CD2-CE1 4.41Å; L912-T936 HydrophobicContact CD2-CG2 4.08Å; L912-F942 HydrophobicContact CD1-CE1 3.85Å; L912-F942 HydrophobicContact CD1-CZ 3.75Å; L912-F942 HydrophobicContact CD2-CE1 4.1Å
913	S	95.3	Very high	94.6	Very high	40 Å²	40	53 Å²	53	28%	0.28	31%	0.307	S	S	.	.			trans	-84.1	-10.9	176.8	70.3	0	0	0	0	113.5	F816 E911 K915 E916 K938	F816-S913 WeakPolarHBondContact CE1-O 3.18Å; E911-S913 PolarHBondContact O-N 3.29Å; S913-K915 PolarHBondContact O-N 3.38Å; S913-K915 PolarHBondContact OG-N 2.88Å; S913-E916 WeakPolarHBondContact CB-OE1 3.45Å; S913-E916 PolarHBondContact N-OE1 3.37Å; S913-E916 PolarHBondContact N-OE2 2.96Å; S913-E916 VanDerWaalsContact OG-CD 3.3Å; S913-E916 PolarHBondContact OG-OE1 3.42Å; S913-E916 PolarHBondContact OG-OE2 3.16Å; S913-K938 PolarHBondContact OG-NZ 2.84Å
914	G	95.5	Very high	94.1	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.309	C	S	.	.	S	Bend	trans	74.7	-8.8	-170.1	0	0	0	0	0	113.9	A750 F816 L912 E916	A750-G914 WeakPolarHBondContact CB-O 3.28Å; F816-G914 WeakPolarHBondContact CZ-O 3.19Å; L912-G914 VanDerWaalsContact C-N 3.33Å; G914-E916 VanDerWaalsContact C-N 3.34Å; G914-E916 VanDerWaalsContact C-OE2 3.31Å; G914-E916 VanDerWaalsContact CA-OE2 3.29Å; G914-E916 WeakPolarHBondContact CA-OE2 3.42Å; G914-E916 PolarHBondContact N-OE2 3.13Å
915	K	96.8	Very high	93.8	Very high	118 Å²	118	56.5 Å²	56.5	51%	0.513	30%	0.297	S	S	.	.			trans	-87.1	-5.7	-179.2	-61.1	-179.6	-178.9	176.6	0	113.3	F816 I827 S913	F816-K915 HydrophobicContact CE1-CG 4.16Å; I827-K915 HydrophobicContact CG2-CB 4.44Å; S913-K915 PolarHBondContact O-N 3.38Å; S913-K915 PolarHBondContact OG-N 2.88Å
916	E	96.6	Very high	93.5	Very high	4 Å²	4	53.6 Å²	53.6	2%	0.019	28%	0.283	C	S	.	.	S	Bend	trans	-65	164.4	173.9	-56.5	73.8	-157.7	0	0	111.3	S913 G914 F918 T936 K938	S913-E916 WeakPolarHBondContact CB-OE1 3.45Å; S913-E916 PolarHBondContact N-OE1 3.37Å; S913-E916 PolarHBondContact N-OE2 2.96Å; S913-E916 VanDerWaalsContact OG-CD 3.3Å; S913-E916 PolarHBondContact OG-OE1 3.42Å; S913-E916 PolarHBondContact OG-OE2 3.16Å; G914-E916 VanDerWaalsContact C-N 3.34Å; G914-E916 VanDerWaalsContact C-OE2 3.31Å; G914-E916 VanDerWaalsContact CA-OE2 3.29Å; G914-E916 WeakPolarHBondContact CA-OE2 3.42Å; G914-E916 PolarHBondContact N-OE2 3.13Å; E916-F918 HydrophobicContact CB-CD2 4.43Å; E916-F918 HydrophobicContact CB-CE1 4.44Å; E916-F918 HydrophobicContact CB-CE2 3.86Å; E916-F918 HydrophobicContact CB-CZ 3.86Å; E916-F918 HydrophobicContact CG-CZ 4.5Å; E916-F918 WeakPolarHBondContact O-CD2 3.44Å; E916-F918 WeakPolarHBondContact O-CE2 3.44Å; E916-T936 HydrophobicContact CB-CG2 4.41Å; E916-T936 HydrophobicContact CG-CG2 4.47Å; E916-K938 HydrophobicContact CG-CD 3.73Å; E916-K938 HydrophobicContact CG-CG 3.97Å; E916-K938 VanDerWaalsContact OE1-CE 3.26Å; E916-K938 WeakPolarHBondContact OE1-CE 3.36Å; E916-K938 IonicContact OE1-NZ 3.88Å; E916-K938 PolarHBondContact OE1-NZ 3.33Å
917	R	97.5	Very high	93.3	Very high	121 Å²	121	60.4 Å²	60.4	46%	0.457	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	142.6	155.4	-63.6	177.8	-179.7	148.4	-0.1	109.2	A748 H749 T936 S937	A748-R917 CarbonylContact O-C 3.58Å; A748-R917 VanDerWaalsContact O-CA 3.27Å; A748-R917 WeakPolarHBondContact O-CA 3.26Å; H749-R917 WeakPolarHBondContact NE2-CG 3.46Å; H749-R917 PolarHBondContact NE2-NE 3.41Å; R917-T936 CarbonylContact O-C 3.44Å; R917-T936 WeakPolarHBondContact O-CA 3.28Å; R917-S937 PolarHBondContact N-OG 2.85Å; R917-S937 PolarHBondContact O-N 2.84Å
918	F	98.2	Very high	93.1	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	126.1	-175.2	-61.6	-95.6	0	0	0	110	A748 A750 I850 L852 L912 E916 V934 R935 T936	A748-F918 WeakPolarHBondContact CB-O 3.44Å; A748-F918 PolarHBondContact N-O 3.09Å; A748-F918 PolarHBondContact O-N 3.04Å; A750-F918 HydrophobicContact CB-CE2 4.26Å; I850-F918 HydrophobicContact CD1-CB 3.72Å; I850-F918 HydrophobicContact CD1-CD1 4.04Å; I850-F918 HydrophobicContact CD1-CD2 3.69Å; I850-F918 HydrophobicContact CD1-CE2 4.32Å; I850-F918 HydrophobicContact CD1-CG 3.54Å; I850-F918 HydrophobicContact CG1-CD2 4.38Å; L852-F918 HydrophobicContact CD1-CZ 4.01Å; L912-F918 HydrophobicContact CD1-CE1 4.38Å; L912-F918 HydrophobicContact CD2-CE1 4.41Å; E916-F918 HydrophobicContact CB-CD2 4.43Å; E916-F918 HydrophobicContact CB-CE1 4.44Å; E916-F918 HydrophobicContact CB-CE2 3.86Å; E916-F918 HydrophobicContact CB-CZ 3.86Å; E916-F918 HydrophobicContact CG-CZ 4.5Å; E916-F918 WeakPolarHBondContact O-CD2 3.44Å; E916-F918 WeakPolarHBondContact O-CE2 3.44Å; F918-V934 HydrophobicContact CB-CG1 4.46Å; F918-V934 HydrophobicContact CD1-CG1 4.08Å; F918-R935 WeakPolarHBondContact CA-O 3.5Å; F918-T936 HydrophobicContact CD1-CG2 4Å; F918-T936 HydrophobicContact CE1-CG2 3.94Å
919	S	98.2	Very high	93	Very high	20 Å²	20	64.7 Å²	64.7	14%	0.14	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.8	168.8	-68.4	0	0	0	0	110	I745 E746 N747 V934 R935	I745-S919 CarbonylContact O-C 3.58Å; I745-S919 WeakPolarHBondContact O-CA 3.47Å; E746-S919 WeakPolarHBondContact OE2-CB 3.46Å; E746-S919 PolarHBondContact OE2-OG 2.81Å; N747-S919 PolarHBondContact N-OG 2.67Å; S919-V934 CarbonylContact O-C 3.58Å; S919-V934 WeakPolarHBondContact O-CA 3.31Å; S919-R935 PolarHBondContact N-O 2.85Å; S919-R935 PolarHBondContact O-N 3.09Å
920	V	96.5	Very high	92.9	Very high	0 Å²	0	63 Å²	63	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	107.8	176.2	-169.8	0	0	0	0	107.9	S744 I745 M897 L899 L932 V934	S744-V920 WeakPolarHBondContact CA-O 3.49Å; S744-V920 WeakPolarHBondContact CB-O 3.33Å; I745-V920 HydrophobicContact CB-CB 4.18Å; I745-V920 HydrophobicContact CB-CG2 4.37Å; I745-V920 PolarHBondContact N-O 3.5Å; I745-V920 PolarHBondContact O-N 3.25Å; M897-V920 HydrophobicContact CE-CG1 4Å; L899-V920 HydrophobicContact CD1-CG1 4.21Å; L899-V920 HydrophobicContact CD1-CG2 4.19Å; V920-L932 HydrophobicContact CG1-CB 4.25Å; V920-L932 HydrophobicContact CG1-CD1 4.13Å; V920-V934 HydrophobicContact CG2-CG1 4.38Å; V920-V934 HydrophobicContact CG2-CG2 4.2Å
921	A	90.8	Very high	92.9	Very high	51 Å²	51	67.5 Å²	67.5	42%	0.421	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-78.3	127.4	-180	0	0	0	0	0	110.6	T933	A921-T933 PolarHBondContact N-O 3.08Å
922	L	90.4	Very high	92.9	Very high	25 Å²	25	59.6 Å²	59.6	13%	0.131	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-99.5	142.2	173.1	-64.6	-177.8	0	0	0	111.2	P742 Q743 S744 M897 L926 L932 F957	P742-L922 HydrophobicContact CB-CD1 3.75Å; Q743-L922 WeakPolarHBondContact O-CD1 3.37Å; S744-L922 PolarHBondContact OG-N 3.1Å; M897-L922 HydrophobicContact CE-CD2 4.23Å; M897-L922 HydrophobicContact SD-CD2 4Å; L922-L926 HydrophobicContact CD2-CD1 4.48Å; L922-L926 HydrophobicContact CD2-CD2 4.3Å; L922-L932 HydrophobicContact CD2-CD1 3.68Å; L922-L932 HydrophobicContact CD2-CD2 4.26Å; L922-F957 HydrophobicContact CD1-CE1 4.27Å; L922-F957 HydrophobicContact CD1-CZ 4.46Å
923	P	87.4	Confident	92.9	Very high	44 Å²	44	62 Å²	62	29%	0.286	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-76.3	164.5	169.1	35.8	-38.8	0	0	0	111.5	S925 L926	P923-S925 VanDerWaalsContact C-N 3.26Å; P923-S925 WeakPolarHBondContact CG-O 3.32Å; P923-S925 PolarHBondContact O-N 2.87Å; P923-L926 HydrophobicContact CG-CD2 3.97Å; P923-L926 HydrophobicContact CG-CG 4.14Å
924	E	79.8	Confident	93	Very high	207 Å²	207	60.1 Å²	60.1	97%	0.967	29%	0.292	S	S	*	.	S	Bend	trans	-61.4	-34.7	171.6	-63.3	-176.8	160.5	0	0	112.8
925	S	83.9	Confident	93.1	Very high	73 Å²	73	68.1 Å²	68.1	51%	0.51	32%	0.322	S	S	.	.	S	Bend	trans	-121.2	115.5	175.5	169.7	0	0	0	0	109.3	P923 Q930	P923-S925 VanDerWaalsContact C-N 3.26Å; P923-S925 WeakPolarHBondContact CG-O 3.32Å; P923-S925 PolarHBondContact O-N 2.87Å; S925-Q930 PolarHBondContact O-OE1 3.08Å
926	L	87.3	Confident	93.1	Very high	7 Å²	7	63.1 Å²	63.1	4%	0.037	30%	0.301	C	S	.	.			trans	-82.9	143.3	168.9	-81.9	163.6	0	0	0	110.3	P742 L922 P923 L932 V954 F957	P742-L926 HydrophobicContact CB-CD1 4.28Å; P742-L926 HydrophobicContact CG-CD1 4.33Å; L922-L926 HydrophobicContact CD2-CD1 4.48Å; L922-L926 HydrophobicContact CD2-CD2 4.3Å; P923-L926 HydrophobicContact CG-CD2 3.97Å; P923-L926 HydrophobicContact CG-CG 4.14Å; L926-L932 HydrophobicContact CD2-CD2 4.2Å; L926-V954 HydrophobicContact CB-CG1 3.83Å; L926-F957 HydrophobicContact CD1-CD1 3.79Å; L926-F957 HydrophobicContact CD1-CE1 3.73Å
927	R	90.6	Very high	93	Very high	172 Å²	172	66.7 Å²	66.7	65%	0.649	33%	0.326	S	S	*	.			trans	-123.9	158	172.6	-62.4	-175	-175.8	-174.3	0.2	110.9	R929 Q930	R927-R929 PolarHBondContact O-N 2.8Å; R927-Q930 VanDerWaalsContact O-CB 3.28Å; R927-Q930 WeakPolarHBondContact O-CB 3.34Å; R927-Q930 PolarHBondContact O-N 3.48Å
928	P	91.6	Very high	92.7	Very high	40 Å²	40	67.1 Å²	67.1	26%	0.26	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	138.3	171.8	-27.3	36.2	0	0	0	112.1	Q930 F948 E951 V954	P928-Q930 PolarHBondContact O-N 3.17Å; P928-F948 CarbonylContact C-O 3.57Å; P928-F948 VanDerWaalsContact CA-O 3.26Å; P928-F948 WeakPolarHBondContact CA-O 3.4Å; P928-E951 WeakPolarHBondContact CD-OE1 3.09Å; P928-E951 HydrophobicContact CG-CG 4.31Å; P928-E951 WeakPolarHBondContact CG-OE1 3.37Å; P928-V954 HydrophobicContact CG-CG2 4.43Å
929	R	92.6	Very high	92.3	Very high	143 Å²	143	70.3 Å²	70.3	54%	0.54	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	29.1	179.9	-55.3	-163.4	68.7	166.4	4.8	115.3	R927 T945 A946 F948 D949	R927-R929 PolarHBondContact O-N 2.8Å; R929-T945 HydrophobicContact CB-CG2 4.24Å; R929-T945 WeakPolarHBondContact O-CG2 3.16Å; R929-A946 VanDerWaalsContact CA-O 3.29Å; R929-A946 WeakPolarHBondContact CA-O 3.46Å; R929-F948 WeakPolarHBondContact CG-O 3.44Å; R929-F948 PolarHBondContact N-O 2.92Å; R929-D949 WeakPolarHBondContact CD-OD1 3.34Å; R929-D949 IonicContact NE-OD1 3.24Å
930	Q	93.8	Very high	92.1	Very high	52 Å²	52	72 Å²	72	24%	0.243	37%	0.374	C	S	.	.			trans	-65.3	139.1	179.4	-178.2	163.8	13.1	0	0	112.4	S925 R927 P928 L932 A946	S925-Q930 PolarHBondContact O-OE1 3.08Å; R927-Q930 VanDerWaalsContact O-CB 3.28Å; R927-Q930 WeakPolarHBondContact O-CB 3.34Å; R927-Q930 PolarHBondContact O-N 3.48Å; P928-Q930 PolarHBondContact O-N 3.17Å; Q930-L932 HydrophobicContact CG-CD2 4.38Å; Q930-A946 PolarHBondContact O-N 2.94Å
931	Q	95.3	Very high	92	Very high	122 Å²	122	75.2 Å²	75.2	57%	0.57	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	131.8	169	-68.6	-171.8	36.7	0	0	110.9	V944	Q931-V944 CarbonylContact C-O 3.55Å; Q931-V944 VanDerWaalsContact CA-O 3.28Å; Q931-V944 WeakPolarHBondContact CA-O 3.46Å
932	L	96	Very high	92.3	Very high	6 Å²	6	73.3 Å²	73.3	3%	0.031	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	152	175.7	-58	178.6	0	0	0	109.7	M897 L899 V920 L922 L926 Q930 S943 V944 A946	M897-L932 HydrophobicContact CE-CD1 4.38Å; M897-L932 HydrophobicContact SD-CD1 3.64Å; L899-L932 HydrophobicContact CD2-CD1 4Å; V920-L932 HydrophobicContact CG1-CB 4.25Å; V920-L932 HydrophobicContact CG1-CD1 4.13Å; L922-L932 HydrophobicContact CD2-CD1 3.68Å; L922-L932 HydrophobicContact CD2-CD2 4.26Å; L926-L932 HydrophobicContact CD2-CD2 4.2Å; Q930-L932 HydrophobicContact CG-CD2 4.38Å; L932-S943 WeakPolarHBondContact O-CA 3.42Å; L932-V944 HydrophobicContact CB-CG2 4.15Å; L932-V944 PolarHBondContact N-O 2.86Å; L932-V944 PolarHBondContact O-N 3.36Å; L932-A946 HydrophobicContact CD1-CB 3.86Å; L932-A946 HydrophobicContact CG-CB 4.26Å
933	T	96.3	Very high	92.6	Very high	57 Å²	57	74.2 Å²	74.2	35%	0.35	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	126.2	176	-57.6	0	0	0	0	110.3	A921 R935 S941	A921-T933 PolarHBondContact N-O 3.08Å; T933-R935 HydrophobicContact CG2-CG 4.24Å; T933-S941 WeakPolarHBondContact CG2-OG 3.48Å
934	V	97.5	Very high	93.1	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.4	170.2	-171.4	0	0	0	0	108.9	I879 F918 S919 V920 S941 F942 V944	I879-V934 HydrophobicContact CD1-CG1 4.41Å; I879-V934 HydrophobicContact CD1-CG2 4.37Å; F918-V934 HydrophobicContact CB-CG1 4.46Å; F918-V934 HydrophobicContact CD1-CG1 4.08Å; S919-V934 CarbonylContact O-C 3.58Å; S919-V934 WeakPolarHBondContact O-CA 3.31Å; V920-V934 HydrophobicContact CG2-CG1 4.38Å; V920-V934 HydrophobicContact CG2-CG2 4.2Å; V934-S941 VanDerWaalsContact O-CA 3.32Å; V934-S941 WeakPolarHBondContact O-CA 3.35Å; V934-F942 HydrophobicContact CB-CD1 4.28Å; V934-F942 HydrophobicContact CB-CD2 4.22Å; V934-F942 HydrophobicContact CB-CE1 3.88Å; V934-F942 HydrophobicContact CB-CE2 3.82Å; V934-F942 HydrophobicContact CB-CG 4.44Å; V934-F942 HydrophobicContact CB-CZ 3.64Å; V934-F942 HydrophobicContact CG1-CE1 3.81Å; V934-F942 HydrophobicContact CG1-CE2 4.25Å; V934-F942 HydrophobicContact CG1-CZ 3.59Å; V934-F942 HydrophobicContact CG2-CD2 4.46Å; V934-F942 HydrophobicContact CG2-CE2 3.94Å; V934-F942 HydrophobicContact CG2-CZ 4.14Å; V934-F942 PolarHBondContact N-O 2.86Å; V934-F942 PolarHBondContact O-N 3.43Å; V934-V944 HydrophobicContact CG2-CB 4.34Å; V934-V944 HydrophobicContact CG2-CG1 3.78Å; V934-V944 HydrophobicContact CG2-CG2 3.57Å
935	R	97.5	Very high	93.9	Very high	169 Å²	169	63.4 Å²	63.4	64%	0.638	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112	141.7	174.6	-63.5	-175.7	178.8	-160.8	0.1	110	F918 S919 T933	F918-R935 WeakPolarHBondContact CA-O 3.5Å; S919-R935 PolarHBondContact N-O 2.85Å; S919-R935 PolarHBondContact O-N 3.09Å; T933-R935 HydrophobicContact CG2-CG 4.24Å
936	T	97.1	Very high	94.5	Very high	13 Å²	13	59.9 Å²	59.9	8%	0.08	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	153.6	177.2	70.2	0	0	0	0	112	L912 E916 R917 F918 K938 G939 T940 F942	L912-T936 HydrophobicContact CD2-CG2 4.08Å; E916-T936 HydrophobicContact CB-CG2 4.41Å; E916-T936 HydrophobicContact CG-CG2 4.47Å; R917-T936 CarbonylContact O-C 3.44Å; R917-T936 WeakPolarHBondContact O-CA 3.28Å; F918-T936 HydrophobicContact CD1-CG2 4Å; F918-T936 HydrophobicContact CE1-CG2 3.94Å; T936-K938 PolarHBondContact O-N 2.97Å; T936-G939 PolarHBondContact O-N 3.03Å; T936-T940 PolarHBondContact N-O 2.81Å; T936-T940 WeakPolarHBondContact OG1-CB 3.42Å; T936-T940 PolarHBondContact OG1-N 3.3Å; T936-T940 PolarHBondContact OG1-O 3.48Å; T936-F942 HydrophobicContact CG2-CE1 4.1Å
937	S	94.9	Very high	94.8	Very high	78 Å²	78	60.1 Å²	60.1	55%	0.545	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-7.1	173.2	61.5	0	0	0	0	115	R917	R917-S937 PolarHBondContact N-OG 2.85Å; R917-S937 PolarHBondContact O-N 2.84Å
938	K	91.6	Very high	94.9	Very high	130 Å²	130	52 Å²	52	57%	0.565	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-2.6	172.7	-71.4	-177.7	-179.5	170.4	0	113.3	S913 E916 T936	S913-K938 PolarHBondContact OG-NZ 2.84Å; E916-K938 HydrophobicContact CG-CD 3.73Å; E916-K938 HydrophobicContact CG-CG 3.97Å; E916-K938 VanDerWaalsContact OE1-CE 3.26Å; E916-K938 WeakPolarHBondContact OE1-CE 3.36Å; E916-K938 IonicContact OE1-NZ 3.88Å; E916-K938 PolarHBondContact OE1-NZ 3.33Å; T936-K938 PolarHBondContact O-N 2.97Å
939	G	89.5	Confident	94.6	Very high	67 Å²	67	53.6 Å²	53.6	69%	0.691	29%	0.287	S	S	*	.	S	Bend	trans	92.7	-14.7	-176.6	0	0	0	0	0	114.5	T936 S941	T936-G939 PolarHBondContact O-N 3.03Å; G939-S941 PolarHBondContact O-N 3.04Å
940	T	93	Very high	94.1	Very high	57 Å²	57	49 Å²	49	35%	0.35	28%	0.277	S	S	.	.			trans	-62.4	132.2	173	-43.7	0	0	0	0	110.2	T936	T936-T940 PolarHBondContact N-O 2.81Å; T936-T940 WeakPolarHBondContact OG1-CB 3.42Å; T936-T940 PolarHBondContact OG1-N 3.3Å; T936-T940 PolarHBondContact OG1-O 3.48Å
941	S	95.3	Very high	93.7	Very high	67 Å²	67	51.7 Å²	51.7	47%	0.469	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	134.4	176.5	-173.1	0	0	0	0	109.2	T933 V934 G939	T933-S941 WeakPolarHBondContact CG2-OG 3.48Å; V934-S941 VanDerWaalsContact O-CA 3.32Å; V934-S941 WeakPolarHBondContact O-CA 3.35Å; G939-S941 PolarHBondContact O-N 3.04Å
942	F	96.3	Very high	93.2	Very high	10 Å²	10	47.1 Å²	47.1	4%	0.044	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161.6	-177.4	61.6	-85.1	0	0	0	111.8	F901 L910 L912 V934 T936 V944	F901-F942 HydrophobicContact CD1-CD2 4.34Å; F901-F942 HydrophobicContact CD1-CE2 4.03Å; F901-F942 HydrophobicContact CE1-CD2 4.37Å; F901-F942 AromaticContact CE1-CE2 3.71Å; F901-F942 HydrophobicContact CE1-CE2 3.71Å; F901-F942 HydrophobicContact CE1-CZ 4.27Å; L910-F942 HydrophobicContact CD1-CB 4Å; L910-F942 HydrophobicContact CD1-CD1 4.23Å; L910-F942 HydrophobicContact CD1-CD2 3.71Å; L910-F942 HydrophobicContact CD1-CE2 4.19Å; L910-F942 HydrophobicContact CD1-CG 3.73Å; L910-F942 HydrophobicContact CD2-CB 4.11Å; L912-F942 HydrophobicContact CD1-CE1 3.85Å; L912-F942 HydrophobicContact CD1-CZ 3.75Å; L912-F942 HydrophobicContact CD2-CE1 4.1Å; V934-F942 HydrophobicContact CB-CD1 4.28Å; V934-F942 HydrophobicContact CB-CD2 4.22Å; V934-F942 HydrophobicContact CB-CE1 3.88Å; V934-F942 HydrophobicContact CB-CE2 3.82Å; V934-F942 HydrophobicContact CB-CG 4.44Å; V934-F942 HydrophobicContact CB-CZ 3.64Å; V934-F942 HydrophobicContact CG1-CE1 3.81Å; V934-F942 HydrophobicContact CG1-CE2 4.25Å; V934-F942 HydrophobicContact CG1-CZ 3.59Å; V934-F942 HydrophobicContact CG2-CD2 4.46Å; V934-F942 HydrophobicContact CG2-CE2 3.94Å; V934-F942 HydrophobicContact CG2-CZ 4.14Å; V934-F942 PolarHBondContact N-O 2.86Å; V934-F942 PolarHBondContact O-N 3.43Å; T936-F942 HydrophobicContact CG2-CE1 4.1Å; F942-V944 HydrophobicContact CD2-CG1 3.84Å; F942-V944 HydrophobicContact CE2-CG1 3.59Å
943	S	96.9	Very high	92.8	Very high	44 Å²	44	48 Å²	48	31%	0.308	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	145.5	178.1	-62.6	0	0	0	0	111.5	L932	L932-S943 WeakPolarHBondContact O-CA 3.42Å
944	V	97.6	Very high	92.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.9	172.1	-64.2	0	0	0	0	109.7	I879 L899 Q900 Q931 L932 V934 F942	I879-V944 HydrophobicContact CG2-CG1 4.05Å; L899-V944 HydrophobicContact CB-CB 4.26Å; L899-V944 HydrophobicContact CB-CG2 4.14Å; L899-V944 HydrophobicContact CD1-CG2 4.14Å; L899-V944 HydrophobicContact CD2-CG2 3.92Å; L899-V944 HydrophobicContact CG-CG2 4.29Å; Q900-V944 CarbonylContact O-C 3.52Å; Q900-V944 WeakPolarHBondContact O-CA 3.29Å; Q900-V944 VanDerWaalsContact O-CB 3.32Å; Q900-V944 WeakPolarHBondContact O-CB 3.27Å; Q931-V944 CarbonylContact C-O 3.55Å; Q931-V944 VanDerWaalsContact CA-O 3.28Å; Q931-V944 WeakPolarHBondContact CA-O 3.46Å; L932-V944 HydrophobicContact CB-CG2 4.15Å; L932-V944 PolarHBondContact N-O 2.86Å; L932-V944 PolarHBondContact O-N 3.36Å; V934-V944 HydrophobicContact CG2-CB 4.34Å; V934-V944 HydrophobicContact CG2-CG1 3.78Å; V934-V944 HydrophobicContact CG2-CG2 3.57Å; F942-V944 HydrophobicContact CD2-CG1 3.84Å; F942-V944 HydrophobicContact CE2-CG1 3.59Å
945	T	97.3	Very high	92.1	Very high	24 Å²	24	47.5 Å²	47.5	15%	0.147	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.2	173.7	-52.5	0	0	0	0	109.4	L899 Q900 R929 L947	L899-T945 WeakPolarHBondContact CA-O 3.48Å; Q900-T945 PolarHBondContact N-O 3.29Å; Q900-T945 PolarHBondContact O-N 2.94Å; R929-T945 HydrophobicContact CB-CG2 4.24Å; R929-T945 WeakPolarHBondContact O-CG2 3.16Å; T945-L947 HydrophobicContact CG2-CD2 4Å; T945-L947 PolarHBondContact O-N 2.96Å
946	A	96.4	Very high	91.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	115	170.1	0	0	0	0	0	109.9	L899 R929 Q930 L932 F948	L899-A946 HydrophobicContact CD2-CB 4.02Å; R929-A946 VanDerWaalsContact CA-O 3.29Å; R929-A946 WeakPolarHBondContact CA-O 3.46Å; Q930-A946 PolarHBondContact O-N 2.94Å; L932-A946 HydrophobicContact CD1-CB 3.86Å; L932-A946 HydrophobicContact CG-CB 4.26Å; A946-F948 HydrophobicContact CB-CD2 3.94Å; A946-F948 HydrophobicContact CB-CE2 3.94Å; A946-F948 PolarHBondContact O-N 3.2Å
947	L	94.2	Very high	91.3	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.063	24%	0.242	C	C	.	.			trans	-83.4	54.6	-174.2	-58.2	-174.7	0	0	0	113.1	F883 K888 P898 Q900 T945	F883-L947 HydrophobicContact CD2-CD1 3.64Å; F883-L947 HydrophobicContact CE2-CD1 4.15Å; K888-L947 HydrophobicContact CD-CB 3.99Å; K888-L947 HydrophobicContact CD-CD1 4.41Å; K888-L947 HydrophobicContact CG-CB 4.17Å; P898-L947 HydrophobicContact CB-CB 4.27Å; P898-L947 HydrophobicContact CG-CB 4.01Å; P898-L947 PolarHBondContact O-N 3.43Å; Q900-L947 HydrophobicContact CB-CD1 3.98Å; Q900-L947 HydrophobicContact CB-CD2 4.07Å; Q900-L947 HydrophobicContact CB-CG 4.01Å; T945-L947 HydrophobicContact CG2-CD2 4Å; T945-L947 PolarHBondContact O-N 2.96Å
948	F	92.2	Very high	91.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.23	C	C	.	.			trans	-86.9	114.6	158.7	-52.2	-58.2	0	0	0	106.6	V892 M897 P928 R929 A946 D953 V954 F957	V892-F948 HydrophobicContact CG1-CD1 4.18Å; V892-F948 HydrophobicContact CG1-CE1 4.38Å; V892-F948 HydrophobicContact CG2-CD1 3.9Å; V892-F948 HydrophobicContact CG2-CE1 4.06Å; M897-F948 HydrophobicContact CB-CZ 4.33Å; M897-F948 HydrophobicContact CG-CE2 4.21Å; M897-F948 HydrophobicContact CG-CZ 3.83Å; M897-F948 HydrophobicContact SD-CE2 4.38Å; M897-F948 HydrophobicContact SD-CZ 4.41Å; P928-F948 CarbonylContact C-O 3.57Å; P928-F948 VanDerWaalsContact CA-O 3.26Å; P928-F948 WeakPolarHBondContact CA-O 3.4Å; R929-F948 WeakPolarHBondContact CG-O 3.44Å; R929-F948 PolarHBondContact N-O 2.92Å; A946-F948 HydrophobicContact CB-CD2 3.94Å; A946-F948 HydrophobicContact CB-CE2 3.94Å; A946-F948 PolarHBondContact O-N 3.2Å; F948-D953 HydrophobicContact CB-CB 3.85Å; F948-D953 HydrophobicContact CD1-CB 4.13Å; F948-D953 HydrophobicContact CG-CB 4.44Å; F948-V954 HydrophobicContact CB-CG2 3.83Å; F948-V954 HydrophobicContact CD2-CG2 4.41Å; F948-V954 HydrophobicContact CG-CG2 4.27Å; F948-F957 HydrophobicContact CD1-CB 4.37Å; F948-F957 HydrophobicContact CE1-CB 3.65Å; F948-F957 HydrophobicContact CE1-CD1 4.43Å; F948-F957 AromaticContact CE1-CD2 3.93Å; F948-F957 HydrophobicContact CE1-CD2 3.93Å; F948-F957 AromaticContact CE1-CG 3.74Å; F948-F957 HydrophobicContact CE1-CG 3.74Å; F948-F957 HydrophobicContact CE2-CD1 4.11Å; F948-F957 HydrophobicContact CE2-CG 4.23Å; F948-F957 HydrophobicContact CZ-CB 3.79Å; F948-F957 AromaticContact CZ-CD1 3.68Å; F948-F957 HydrophobicContact CZ-CD1 3.68Å; F948-F957 AromaticContact CZ-CD2 3.62Å; F948-F957 HydrophobicContact CZ-CD2 3.62Å; F948-F957 HydrophobicContact CZ-CE1 4.15Å; F948-F957 HydrophobicContact CZ-CE2 4.11Å; F948-F957 AromaticContact CZ-CG 3.38Å; F948-F957 HydrophobicContact CZ-CG 3.38Å; F948-F957 HydrophobicContact CZ-CZ 4.35Å
949	D	84.3	Confident	91	Very high	75 Å²	75	34.2 Å²	34.2	40%	0.401	21%	0.207	S	C	.	.			trans	-91.4	-18.6	-173.4	-71.8	-30.3	0	0	0	112.3	K888 R929 D953	K888-D949 IonicContact NZ-OD2 4Å; K888-D949 PolarHBondContact NZ-OD2 3.48Å; R929-D949 WeakPolarHBondContact CD-OD1 3.34Å; R929-D949 IonicContact NE-OD1 3.24Å; D949-D953 PolarHBondContact N-OD2 2.88Å
950	S	83.2	Confident	91	Very high	45 Å²	45	32 Å²	32	32%	0.315	18%	0.184	S	C	.	.	S	Bend	trans	-132.7	162.3	-178.8	67.3	0	0	0	0	112.7	V952 D953 V954	S950-V952 PolarHBondContact O-N 3.42Å; S950-V952 PolarHBondContact OG-N 3.23Å; S950-D953 PolarHBondContact N-OD2 2.8Å; S950-D953 WeakPolarHBondContact O-CB 3.45Å; S950-D953 PolarHBondContact O-N 3.18Å; S950-D953 PolarHBondContact OG-N 2.8Å; S950-D953 VanDerWaalsContact OG-N 3.11Å; S950-D953 PolarHBondContact OG-OD2 3.48Å; S950-V954 PolarHBondContact O-N 2.9Å
951	E	85.3	Confident	90.8	Very high	109 Å²	109	29.5 Å²	29.5	51%	0.509	17%	0.169	S	C	.	.	H	α-helix	trans	-60.4	-30	169.9	-63.9	-61.6	155.2	0	0	111.9	P928 V954 I955	P928-E951 WeakPolarHBondContact CD-OE1 3.09Å; P928-E951 HydrophobicContact CG-CG 4.31Å; P928-E951 WeakPolarHBondContact CG-OE1 3.37Å; E951-V954 PolarHBondContact O-N 3.42Å; E951-I955 WeakPolarHBondContact O-CG1 3.25Å; E951-I955 PolarHBondContact O-N 3.3Å
952	V	84.1	Confident	90.4	Very high	27 Å²	27	26.5 Å²	26.5	16%	0.164	15%	0.148	C	C	.	.	H	α-helix	trans	-66.2	-40.5	176.8	177.2	0	0	0	0	111	Y58 S950 V954 I955 F956	Y58-V952 HydrophobicContact CE1-CG1 4.28Å; S950-V952 PolarHBondContact O-N 3.42Å; S950-V952 PolarHBondContact OG-N 3.23Å; V952-V954 VanDerWaalsContact C-N 3.3Å; V952-V954 PolarHBondContact O-N 3.47Å; V952-I955 PolarHBondContact O-N 2.98Å; V952-F956 HydrophobicContact CG1-CD1 4.46Å; V952-F956 HydrophobicContact CG1-CD2 4.07Å; V952-F956 HydrophobicContact CG1-CE1 3.86Å; V952-F956 HydrophobicContact CG1-CE2 3.42Å; V952-F956 VanDerWaalsContact CG1-CE2 3.42Å; V952-F956 HydrophobicContact CG1-CZ 3.29Å; V952-F956 VanDerWaalsContact O-CG 3.31Å; V952-F956 WeakPolarHBondContact O-CG 3.32Å; V952-F956 PolarHBondContact O-N 3.14Å
953	D	87.8	Confident	90	Very high	25 Å²	25	26.6 Å²	26.6	13%	0.134	15%	0.148	C	C	.	.	H	α-helix	trans	-60.3	-40.6	173.3	-63.9	-49.8	0	0	0	111.9	V892 F948 D949 S950 F956 F957	V892-D953 HydrophobicContact CG1-CB 3.84Å; F948-D953 HydrophobicContact CB-CB 3.85Å; F948-D953 HydrophobicContact CD1-CB 4.13Å; F948-D953 HydrophobicContact CG-CB 4.44Å; D949-D953 PolarHBondContact N-OD2 2.88Å; S950-D953 PolarHBondContact N-OD2 2.8Å; S950-D953 WeakPolarHBondContact O-CB 3.45Å; S950-D953 PolarHBondContact O-N 3.18Å; S950-D953 PolarHBondContact OG-N 2.8Å; S950-D953 VanDerWaalsContact OG-N 3.11Å; S950-D953 PolarHBondContact OG-OD2 3.48Å; D953-F956 PolarHBondContact O-N 2.91Å; D953-F957 WeakPolarHBondContact O-CB 3.37Å; D953-F957 PolarHBondContact O-N 3.04Å
954	V	90.2	Very high	89.7	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.012	14%	0.141	C	C	.	.	H	α-helix	trans	-65.4	-43.6	176.7	178.3	0	0	0	0	110.7	L926 P928 F948 S950 E951 V952 F957 Q958	L926-V954 HydrophobicContact CB-CG1 3.83Å; P928-V954 HydrophobicContact CG-CG2 4.43Å; F948-V954 HydrophobicContact CB-CG2 3.83Å; F948-V954 HydrophobicContact CD2-CG2 4.41Å; F948-V954 HydrophobicContact CG-CG2 4.27Å; S950-V954 PolarHBondContact O-N 2.9Å; E951-V954 PolarHBondContact O-N 3.42Å; V952-V954 VanDerWaalsContact C-N 3.3Å; V952-V954 PolarHBondContact O-N 3.47Å; V954-F957 PolarHBondContact O-N 3.27Å; V954-Q958 HydrophobicContact CG1-CG 4.46Å; V954-Q958 WeakPolarHBondContact O-CB 3.36Å; V954-Q958 VanDerWaalsContact O-CG 3.27Å; V954-Q958 WeakPolarHBondContact O-CG 3.24Å; V954-Q958 PolarHBondContact O-N 3.39Å
955	I	89.1	Confident	89.3	Confident	43 Å²	43	27.6 Å²	27.6	22%	0.221	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-47.2	175	-69.7	164.1	0	0	0	110.8	F57 E951 V952 F957 Q958 H959 F965	F57-I955 HydrophobicContact CE2-CD1 4.15Å; F57-I955 HydrophobicContact CZ-CD1 4.31Å; E951-I955 WeakPolarHBondContact O-CG1 3.25Å; E951-I955 PolarHBondContact O-N 3.3Å; V952-I955 PolarHBondContact O-N 2.98Å; I955-F957 VanDerWaalsContact C-N 3.34Å; I955-F957 PolarHBondContact O-N 3.24Å; I955-Q958 PolarHBondContact O-N 3.01Å; I955-H959 PolarHBondContact O-CD2 3.1Å; I955-H959 PolarHBondContact O-N 2.68Å; I955-F965 HydrophobicContact CG2-CD2 3.76Å; I955-F965 HydrophobicContact CG2-CE2 3.72Å
956	F	88.6	Confident	88.8	Confident	4 Å²	4	27.2 Å²	27.2	2%	0.018	14%	0.144	C	C	.	.	H	α-helix	trans	-61.8	-42.2	177.6	-64.1	-21	0	0	0	111.9	Y58 Q316 V952 D953 H959 G960 G961 L962 F965	Y58-F956 HydrophobicContact CE1-CZ 4.33Å; Q316-F956 HydrophobicContact CG-CZ 4.23Å; Q316-F956 VanDerWaalsContact OE1-CZ 3.3Å; V952-F956 HydrophobicContact CG1-CD1 4.46Å; V952-F956 HydrophobicContact CG1-CD2 4.07Å; V952-F956 HydrophobicContact CG1-CE1 3.86Å; V952-F956 HydrophobicContact CG1-CE2 3.42Å; V952-F956 VanDerWaalsContact CG1-CE2 3.42Å; V952-F956 HydrophobicContact CG1-CZ 3.29Å; V952-F956 VanDerWaalsContact O-CG 3.31Å; V952-F956 WeakPolarHBondContact O-CG 3.32Å; V952-F956 PolarHBondContact O-N 3.14Å; D953-F956 PolarHBondContact O-N 2.91Å; F956-H959 PolarHBondContact O-N 3.11Å; F956-G960 PolarHBondContact O-N 2.83Å; F956-G960 VanDerWaalsContact O-N 3.12Å; F956-G961 WeakPolarHBondContact O-CA 3.29Å; F956-G961 PolarHBondContact O-N 3.39Å; F956-L962 HydrophobicContact CD1-CD1 4.18Å; F956-L962 HydrophobicContact CE1-CD1 3.68Å; F956-L962 HydrophobicContact CE2-CD1 4.04Å; F956-L962 HydrophobicContact CZ-CD1 3.59Å; F956-F965 HydrophobicContact CD1-CB 4.03Å; F956-F965 HydrophobicContact CD1-CD1 4.06Å; F956-F965 HydrophobicContact CD1-CD2 4.43Å; F956-F965 AromaticContact CD1-CG 3.91Å; F956-F965 HydrophobicContact CD1-CG 3.91Å; F956-F965 HydrophobicContact CE1-CB 4.46Å; F956-F965 AromaticContact CE1-CD1 3.65Å; F956-F965 HydrophobicContact CE1-CD1 3.65Å; F956-F965 AromaticContact CE1-CE1 3.99Å; F956-F965 HydrophobicContact CE1-CE1 3.99Å; F956-F965 AromaticContact CE1-CG 3.98Å; F956-F965 HydrophobicContact CE1-CG 3.98Å
957	F	90.5	Very high	88.4	Confident	28 Å²	28	27.2 Å²	27.2	12%	0.123	14%	0.144	C	C	.	.	H	α-helix	trans	-61.9	-45.6	175.2	179.6	-106.3	0	0	0	112.3	P742 M897 L922 L926 F948 D953 V954 I955 H959 G960	P742-F957 HydrophobicContact CB-CE1 4.34Å; M897-F957 HydrophobicContact CB-CE2 3.9Å; M897-F957 HydrophobicContact CB-CZ 4.26Å; M897-F957 HydrophobicContact SD-CZ 4.27Å; L922-F957 HydrophobicContact CD1-CE1 4.27Å; L922-F957 HydrophobicContact CD1-CZ 4.46Å; L926-F957 HydrophobicContact CD1-CD1 3.79Å; L926-F957 HydrophobicContact CD1-CE1 3.73Å; F948-F957 HydrophobicContact CD1-CB 4.37Å; F948-F957 HydrophobicContact CE1-CB 3.65Å; F948-F957 HydrophobicContact CE1-CD1 4.43Å; F948-F957 AromaticContact CE1-CD2 3.93Å; F948-F957 HydrophobicContact CE1-CD2 3.93Å; F948-F957 AromaticContact CE1-CG 3.74Å; F948-F957 HydrophobicContact CE1-CG 3.74Å; F948-F957 HydrophobicContact CE2-CD1 4.11Å; F948-F957 HydrophobicContact CE2-CG 4.23Å; F948-F957 HydrophobicContact CZ-CB 3.79Å; F948-F957 AromaticContact CZ-CD1 3.68Å; F948-F957 HydrophobicContact CZ-CD1 3.68Å; F948-F957 AromaticContact CZ-CD2 3.62Å; F948-F957 HydrophobicContact CZ-CD2 3.62Å; F948-F957 HydrophobicContact CZ-CE1 4.15Å; F948-F957 HydrophobicContact CZ-CE2 4.11Å; F948-F957 AromaticContact CZ-CG 3.38Å; F948-F957 HydrophobicContact CZ-CG 3.38Å; F948-F957 HydrophobicContact CZ-CZ 4.35Å; D953-F957 WeakPolarHBondContact O-CB 3.37Å; D953-F957 PolarHBondContact O-N 3.04Å; V954-F957 PolarHBondContact O-N 3.27Å; I955-F957 VanDerWaalsContact C-N 3.34Å; I955-F957 PolarHBondContact O-N 3.24Å; F957-H959 VanDerWaalsContact C-N 3.3Å; F957-H959 PolarHBondContact O-N 3.05Å; F957-G960 WeakPolarHBondContact O-CA 3.22Å; F957-G960 PolarHBondContact O-N 3.08Å
958	Q	89.9	Confident	88.2	Confident	63 Å²	63	27 Å²	27	29%	0.294	14%	0.142	S	C	.	.	H	α-helix	trans	-58.2	-39.8	174.8	-73.6	170.9	-0.3	0	0	112.3	P742 V954 I955 G960	P742-Q958 HydrophobicContact CG-CG 3.9Å; V954-Q958 HydrophobicContact CG1-CG 4.46Å; V954-Q958 WeakPolarHBondContact O-CB 3.36Å; V954-Q958 VanDerWaalsContact O-CG 3.27Å; V954-Q958 WeakPolarHBondContact O-CG 3.24Å; V954-Q958 PolarHBondContact O-N 3.39Å; I955-Q958 PolarHBondContact O-N 3.01Å; Q958-G960 PolarHBondContact O-N 2.93Å
959	H	89.4	Confident	87.8	Confident	17 Å²	17	29.1 Å²	29.1	8%	0.079	16%	0.156	C	C	.	.	H	α-helix	trans	-73.1	-11.6	175.5	-78.8	-117.8	0	0	0	113.4	I739 I955 F956 F957 R964 F965 R968	I739-H959 VanDerWaalsContact CD1-CE1 3.5Å; I739-H959 WeakPolarHBondContact CD1-CE1 3.48Å; I739-H959 WeakPolarHBondContact CD1-NE2 3.38Å; I955-H959 PolarHBondContact O-CD2 3.1Å; I955-H959 PolarHBondContact O-N 2.68Å; F956-H959 PolarHBondContact O-N 3.11Å; F957-H959 VanDerWaalsContact C-N 3.3Å; F957-H959 PolarHBondContact O-N 3.05Å; H959-R964 WeakPolarHBondContact O-CB 3.34Å; H959-F965 HydrophobicContact CB-CB 3.82Å; H959-F965 AromaticContact CD2-CD2 3.99Å; H959-F965 AromaticContact CE1-CD2 3.68Å; H959-F965 AromaticContact CG-CD2 3.87Å; H959-F965 AromaticContact ND1-CD2 3.68Å; H959-F965 AromaticContact NE2-CD2 3.87Å; H959-R968 VanDerWaalsContact CA-NH1 3.34Å; H959-R968 PolarHBondContact O-NH1 3Å
960	G	88.8	Confident	87.8	Confident	21 Å²	21	26.8 Å²	26.8	22%	0.216	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	28.8	-177.8	0	0	0	0	0	113.7	F956 F957 Q958 R964	F956-G960 PolarHBondContact O-N 2.83Å; F956-G960 VanDerWaalsContact O-N 3.12Å; F957-G960 WeakPolarHBondContact O-CA 3.22Å; F957-G960 PolarHBondContact O-N 3.08Å; Q958-G960 PolarHBondContact O-N 2.93Å; G960-R964 WeakPolarHBondContact O-CD 3.21Å
961	G	89.4	Confident	88	Confident	3 Å²	3	24.9 Å²	24.9	3%	0.031	13%	0.13	C	C	.	.	S	Bend	trans	117.8	154.9	-178.3	0	0	0	0	0	113.1	G893 F956 L963 R964 F965	G893-G961 CarbonylContact O-C 3.57Å; G893-G961 WeakPolarHBondContact O-CA 3.44Å; F956-G961 WeakPolarHBondContact O-CA 3.29Å; F956-G961 PolarHBondContact O-N 3.39Å; G961-L963 VanDerWaalsContact C-N 3.35Å; G961-L963 PolarHBondContact O-N 3.3Å; G961-R964 PolarHBondContact O-N 3.33Å; G961-R964 VanDerWaalsContact O-N 3.14Å; G961-F965 PolarHBondContact O-N 3.06Å
962	L	87.3	Confident	87.8	Confident	5 Å²	5	23.6 Å²	23.6	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-53.3	-47.1	179.8	170.3	62.2	0	0	0	112.6	A311 Q316 G893 F956 R964 F965 V966	A311-L962 HydrophobicContact CB-CD2 3.33Å; Q316-L962 VanDerWaalsContact OE1-CD1 3.32Å; Q316-L962 VanDerWaalsContact OE1-CD2 3.3Å; G893-L962 PolarHBondContact O-N 3.49Å; F956-L962 HydrophobicContact CD1-CD1 4.18Å; F956-L962 HydrophobicContact CE1-CD1 3.68Å; F956-L962 HydrophobicContact CE2-CD1 4.04Å; F956-L962 HydrophobicContact CZ-CD1 3.59Å; L962-R964 PolarHBondContact O-N 3.18Å; L962-F965 HydrophobicContact CD1-CD1 4.45Å; L962-F965 WeakPolarHBondContact O-CA 3.18Å; L962-F965 WeakPolarHBondContact O-CB 3.44Å; L962-F965 PolarHBondContact O-N 3.09Å; L962-V966 HydrophobicContact CD1-CG2 3.96Å; L962-V966 PolarHBondContact O-N 3.35Å
963	L	87.9	Confident	87.1	Confident	11 Å²	11	25.1 Å²	25.1	6%	0.058	13%	0.131	C	C	.	.	H	α-helix	trans	-61.2	-35.2	-177.5	-54.2	-176.2	0	0	0	111.7	D99 M103 E310 L314 F732 G961 A967	D99-L963 HydrophobicContact CB-CD1 4.26Å; M103-L963 HydrophobicContact CE-CB 4.29Å; M103-L963 HydrophobicContact CE-CD2 4.39Å; E310-L963 HydrophobicContact CG-CD2 4.03Å; E310-L963 WeakPolarHBondContact OE1-CD1 3.17Å; E310-L963 WeakPolarHBondContact OE1-CD2 3.44Å; L314-L963 HydrophobicContact CD1-CD2 3.91Å; F732-L963 HydrophobicContact CE1-CB 3.93Å; F732-L963 HydrophobicContact CZ-CB 3.89Å; G961-L963 VanDerWaalsContact C-N 3.35Å; G961-L963 PolarHBondContact O-N 3.3Å; L963-A967 VanDerWaalsContact O-CB 3.27Å; L963-A967 WeakPolarHBondContact O-CB 3.5Å; L963-A967 PolarHBondContact O-N 3.21Å
964	R	90.1	Very high	85.7	Confident	41 Å²	41	24.2 Å²	24.2	16%	0.155	13%	0.128	C	C	.	.	H	α-helix	trans	-75.6	-32.6	175.2	-66.8	-173.8	171.9	-173.7	-3.6	112.7	F731 L735 Y871 H959 G960 G961 L962 R968	F731-R964 VanDerWaalsContact O-CZ 3.3Å; F731-R964 PolarHBondContact O-NE 3.38Å; F731-R964 PolarHBondContact O-NH2 3.08Å; L735-R964 HydrophobicContact CD1-CB 4.16Å; L735-R964 HydrophobicContact CD1-CG 4.25Å; Y871-R964 VanDerWaalsContact OH-CZ 3.32Å; Y871-R964 PolarHBondContact OH-NH2 3.47Å; H959-R964 WeakPolarHBondContact O-CB 3.34Å; G960-R964 WeakPolarHBondContact O-CD 3.21Å; G961-R964 PolarHBondContact O-N 3.33Å; G961-R964 VanDerWaalsContact O-N 3.14Å; L962-R964 PolarHBondContact O-N 3.18Å; R964-R968 WeakPolarHBondContact O-CB 3.26Å; R964-R968 WeakPolarHBondContact O-CG 3.49Å; R964-R968 PolarHBondContact O-N 3.27Å
965	F	89.2	Confident	83.8	Confident	24 Å²	24	28 Å²	28	11%	0.105	15%	0.153	C	C	.	.	H	α-helix	trans	-57.9	-57.7	169.4	169.7	-96.7	0	0	0	110.3	I955 F956 H959 G961 L962 A967 R968 T969	I955-F965 HydrophobicContact CG2-CD2 3.76Å; I955-F965 HydrophobicContact CG2-CE2 3.72Å; F956-F965 HydrophobicContact CD1-CB 4.03Å; F956-F965 HydrophobicContact CD1-CD1 4.06Å; F956-F965 HydrophobicContact CD1-CD2 4.43Å; F956-F965 AromaticContact CD1-CG 3.91Å; F956-F965 HydrophobicContact CD1-CG 3.91Å; F956-F965 HydrophobicContact CE1-CB 4.46Å; F956-F965 AromaticContact CE1-CD1 3.65Å; F956-F965 HydrophobicContact CE1-CD1 3.65Å; F956-F965 AromaticContact CE1-CE1 3.99Å; F956-F965 HydrophobicContact CE1-CE1 3.99Å; F956-F965 AromaticContact CE1-CG 3.98Å; F956-F965 HydrophobicContact CE1-CG 3.98Å; H959-F965 HydrophobicContact CB-CB 3.82Å; H959-F965 AromaticContact CD2-CD2 3.99Å; H959-F965 AromaticContact CE1-CD2 3.68Å; H959-F965 AromaticContact CG-CD2 3.87Å; H959-F965 AromaticContact ND1-CD2 3.68Å; H959-F965 AromaticContact NE2-CD2 3.87Å; G961-F965 PolarHBondContact O-N 3.06Å; L962-F965 HydrophobicContact CD1-CD1 4.45Å; L962-F965 WeakPolarHBondContact O-CA 3.18Å; L962-F965 WeakPolarHBondContact O-CB 3.44Å; L962-F965 PolarHBondContact O-N 3.09Å; F965-A967 PolarHBondContact O-N 3.16Å; F965-R968 PolarHBondContact O-N 2.96Å; F965-R968 VanDerWaalsContact O-N 3.14Å; F965-T969 PolarHBondContact O-N 3.34Å; F965-T969 PolarHBondContact O-OG1 2.99Å; F965-T969 VanDerWaalsContact O-OG1 3.05Å
966	V	87.1	Confident	81.6	Confident	17 Å²	17	29.1 Å²	29.1	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-59.5	-45	-179.2	178.5	0	0	0	0	111.8	M103 L314 L962 R968 T969 V970	M103-V966 HydrophobicContact CE-CB 4.25Å; M103-V966 HydrophobicContact CE-CG1 4.22Å; M103-V966 HydrophobicContact SD-CB 4.4Å; M103-V966 HydrophobicContact SD-CG1 3.87Å; L314-V966 HydrophobicContact CB-CG1 4.33Å; L314-V966 HydrophobicContact CB-CG2 4.1Å; L314-V966 HydrophobicContact CD1-CB 4.27Å; L314-V966 HydrophobicContact CD1-CG1 4.16Å; L314-V966 HydrophobicContact CD1-CG2 4.06Å; L314-V966 HydrophobicContact CD2-CG1 3.95Å; L314-V966 HydrophobicContact CG-CG1 4.36Å; L962-V966 HydrophobicContact CD1-CG2 3.96Å; L962-V966 PolarHBondContact O-N 3.35Å; V966-R968 VanDerWaalsContact C-N 3.34Å; V966-R968 PolarHBondContact O-N 3.47Å; V966-T969 PolarHBondContact O-N 3.4Å; V966-V970 WeakPolarHBondContact O-CG2 3.48Å; V966-V970 PolarHBondContact O-N 2.93Å
967	A	88.1	Confident	79.2	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-40.8	177.7	0	0	0	0	0	112.7	M103 F732 L735 L963 F965 V971	M103-A967 HydrophobicContact CG-CB 3.95Å; M103-A967 HydrophobicContact SD-CB 4.37Å; F732-A967 HydrophobicContact CD1-CB 4.14Å; F732-A967 HydrophobicContact CE1-CB 3.95Å; L735-A967 HydrophobicContact CD1-CB 4.39Å; L735-A967 HydrophobicContact CD2-CB 3.72Å; L963-A967 VanDerWaalsContact O-CB 3.27Å; L963-A967 WeakPolarHBondContact O-CB 3.5Å; L963-A967 PolarHBondContact O-N 3.21Å; F965-A967 PolarHBondContact O-N 3.16Å; A967-V971 VanDerWaalsContact O-CG2 3.32Å; A967-V971 WeakPolarHBondContact O-CG2 3.43Å; A967-V971 PolarHBondContact O-N 2.86Å; A967-V971 VanDerWaalsContact O-N 3.08Å
968	R	89.4	Confident	76.4	Confident	6 Å²	6	32.6 Å²	32.6	2%	0.023	20%	0.203	C	C	.	.	H	α-helix	trans	-64.8	-46.2	173.1	-77	-166.7	-175.6	102.9	1.8	111.8	L735 S736 K737 D738 H959 R964 F965 V966 V970 V971 E972	L735-R968 HydrophobicContact CD1-CG 4.03Å; S736-R968 PolarHBondContact O-NE 3Å; S736-R968 PolarHBondContact OG-NH2 2.97Å; K737-R968 WeakPolarHBondContact O-CD 3.48Å; D738-R968 PolarHBondContact O-NH2 3.07Å; H959-R968 VanDerWaalsContact CA-NH1 3.34Å; H959-R968 PolarHBondContact O-NH1 3Å; R964-R968 WeakPolarHBondContact O-CB 3.26Å; R964-R968 WeakPolarHBondContact O-CG 3.49Å; R964-R968 PolarHBondContact O-N 3.27Å; F965-R968 PolarHBondContact O-N 2.96Å; F965-R968 VanDerWaalsContact O-N 3.14Å; V966-R968 VanDerWaalsContact C-N 3.34Å; V966-R968 PolarHBondContact O-N 3.47Å; R968-V970 PolarHBondContact O-N 3.27Å; R968-V971 CarbonylContact O-C 3.57Å; R968-V971 PolarHBondContact O-N 3.14Å; R968-E972 WeakPolarHBondContact O-CB 3.29Å; R968-E972 WeakPolarHBondContact O-CG 3.34Å; R968-E972 PolarHBondContact O-N 3.3Å
969	T	84.9	Confident	73.6	Confident	46 Å²	46	32.2 Å²	32.2	28%	0.282	21%	0.211	S	C	.	.	H	α-helix	trans	-57.4	-36.7	178.8	-54.9	0	0	0	0	112.3	F965 V966 N973	F965-T969 PolarHBondContact O-N 3.34Å; F965-T969 PolarHBondContact O-OG1 2.99Å; F965-T969 VanDerWaalsContact O-OG1 3.05Å; V966-T969 PolarHBondContact O-N 3.4Å; T969-N973 WeakPolarHBondContact CG2-ND2 3.14Å; T969-N973 WeakPolarHBondContact O-CB 3.38Å; T969-N973 PolarHBondContact O-N 2.92Å; T969-N973 PolarHBondContact O-ND2 3.35Å
970	V	84.6	Confident	70.8	Confident	25 Å²	25	33 Å²	33	15%	0.152	22%	0.223	C	C	.	.	H	α-helix	trans	-70.2	-44.2	172.7	177.4	0	0	0	0	111.5	V107 V112 L116 V117 V966 R968 E972 N973 G974	V107-V970 HydrophobicContact CG1-CG1 3.79Å; V107-V970 HydrophobicContact CG2-CB 4.17Å; V107-V970 HydrophobicContact CG2-CG1 3.9Å; V112-V970 HydrophobicContact CG1-CG1 4.39Å; L116-V970 HydrophobicContact CB-CG1 3.77Å; L116-V970 HydrophobicContact CD1-CG1 4.35Å; V117-V970 HydrophobicContact CG2-CG1 4.3Å; V966-V970 WeakPolarHBondContact O-CG2 3.48Å; V966-V970 PolarHBondContact O-N 2.93Å; R968-V970 PolarHBondContact O-N 3.27Å; V970-E972 VanDerWaalsContact C-N 3.33Å; V970-E972 PolarHBondContact O-N 3.42Å; V970-N973 PolarHBondContact O-N 3.12Å; V970-G974 PolarHBondContact O-N 3.43Å
971	V	85.5	Confident	68	Low	5 Å²	5	38.9 Å²	38.9	3%	0.03	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-32.6	179.3	169.7	0	0	0	0	113.2	V107 H110 K737 A967 R968	V107-V971 HydrophobicContact CB-CG2 4.44Å; V107-V971 HydrophobicContact CG2-CG2 4.13Å; H110-V971 HydrophobicContact CB-CG1 3.74Å; H110-V971 HydrophobicContact CB-CG2 3.85Å; K737-V971 HydrophobicContact CD-CG1 4.16Å; K737-V971 HydrophobicContact CG-CG1 3.94Å; A967-V971 VanDerWaalsContact O-CG2 3.32Å; A967-V971 WeakPolarHBondContact O-CG2 3.43Å; A967-V971 PolarHBondContact O-N 2.86Å; A967-V971 VanDerWaalsContact O-N 3.08Å; R968-V971 CarbonylContact O-C 3.57Å; R968-V971 PolarHBondContact O-N 3.14Å
972	E	82.1	Confident	65	Low	83 Å²	83	45.9 Å²	45.9	39%	0.388	28%	0.277	S	S	.	.	H	α-helix	trans	-75.9	-42.5	177.2	-73.4	169.6	-157.8	0	0	112.1	R968 V970 P975	R968-E972 WeakPolarHBondContact O-CB 3.29Å; R968-E972 WeakPolarHBondContact O-CG 3.34Å; R968-E972 PolarHBondContact O-N 3.3Å; V970-E972 VanDerWaalsContact C-N 3.33Å; V970-E972 PolarHBondContact O-N 3.42Å; E972-P975 WeakPolarHBondContact O-CD 3.45Å
973	N	68.9	Low	62.1	Low	58 Å²	58	52.7 Å²	52.7	31%	0.31	31%	0.309	S	S	.	.	H	α-helix	trans	-91.9	-16.9	-173.8	-66.4	-54.4	0	0	0	114.8	T969 V970 P975 A976 A977	T969-N973 WeakPolarHBondContact CG2-ND2 3.14Å; T969-N973 WeakPolarHBondContact O-CB 3.38Å; T969-N973 PolarHBondContact O-N 2.92Å; T969-N973 PolarHBondContact O-ND2 3.35Å; V970-N973 PolarHBondContact O-N 3.12Å; N973-P975 VanDerWaalsContact C-CD 3.45Å; N973-P975 VanDerWaalsContact C-N 3.33Å; N973-A976 WeakPolarHBondContact O-CB 3.22Å; N973-A976 PolarHBondContact O-N 2.78Å; N973-A977 PolarHBondContact O-N 3.34Å
974	G	58.8	Low	59.2	Low	7 Å²	7	59.2 Å²	59.2	7%	0.072	34%	0.343	C	S	.	.	H	α-helix	trans	-49.2	-43.2	178.1	0	0	0	0	0	115.2	V970 A976 A977 A978	V970-G974 PolarHBondContact O-N 3.43Å; G974-A976 VanDerWaalsContact C-N 3.31Å; G974-A976 PolarHBondContact O-N 2.82Å; G974-A977 PolarHBondContact O-N 3.25Å; G974-A978 PolarHBondContact O-N 3.07Å
975	P	49.4	Very low	56.2	Low	81 Å²	81	63.1 Å²	63.1	53%	0.526	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-31.8	174.8	-23.5	34.7	0	0	0	114.3	E972 N973 A979	E972-P975 WeakPolarHBondContact O-CD 3.45Å; N973-P975 VanDerWaalsContact C-CD 3.45Å; N973-P975 VanDerWaalsContact C-N 3.33Å; P975-A979 PolarHBondContact O-N 3.4Å
976	A	43.5	Very low	53.1	Low	67 Å²	67	66.2 Å²	66.2	55%	0.554	40%	0.396	S	S	*	.	H	α-helix	trans	-78.7	-37.1	-179.9	0	0	0	0	0	112	N973 G974 A979 G980	N973-A976 WeakPolarHBondContact O-CB 3.22Å; N973-A976 PolarHBondContact O-N 2.78Å; G974-A976 VanDerWaalsContact C-N 3.31Å; G974-A976 PolarHBondContact O-N 2.82Å; A976-A979 PolarHBondContact O-N 3.36Å; A976-G980 PolarHBondContact O-N 3.23Å; A976-G980 VanDerWaalsContact O-N 3.09Å
977	A	38.1	Very low	50.3	Low	48 Å²	48	74.7 Å²	74.7	40%	0.397	45%	0.448	S	S	.	.	H	α-helix	trans	-61.8	-46.6	173.5	0	0	0	0	0	111.6	N973 G974 A979 G980 E981	N973-A977 PolarHBondContact O-N 3.34Å; G974-A977 PolarHBondContact O-N 3.25Å; A977-A979 VanDerWaalsContact C-N 3.28Å; A977-A979 PolarHBondContact O-N 3.26Å; A977-G980 PolarHBondContact O-N 3.11Å; A977-G980 VanDerWaalsContact O-N 3.16Å; A977-E981 PolarHBondContact O-N 3.22Å
978	A	32.7	Very low	48.4	Very low	56 Å²	56	78.5 Å²	78.5	46%	0.463	47%	0.47	S	S	.	.	H	α-helix	trans	-63.5	-30.1	177.5	0	0	0	0	0	113.6	G974	G974-A978 PolarHBondContact O-N 3.07Å
979	A	31	Very low	46.3	Very low	56 Å²	56	82.3 Å²	82.3	46%	0.463	49%	0.494	S	S	.	.	H	α-helix	trans	-75.4	-32.8	174.7	0	0	0	0	0	112.9	P975 A976 A977	P975-A979 PolarHBondContact O-N 3.4Å; A976-A979 PolarHBondContact O-N 3.36Å; A977-A979 VanDerWaalsContact C-N 3.28Å; A977-A979 PolarHBondContact O-N 3.26Å
980	G	30	Very low	44.1	Very low	33 Å²	33	84.3 Å²	84.3	34%	0.34	51%	0.506	S	S	.	.	H	α-helix	trans	-69.2	-40.1	177.3	0	0	0	0	0	113.4	A976 A977 Q982 Q983 L984	A976-G980 PolarHBondContact O-N 3.23Å; A976-G980 VanDerWaalsContact O-N 3.09Å; A977-G980 PolarHBondContact O-N 3.11Å; A977-G980 VanDerWaalsContact O-N 3.16Å; G980-Q982 VanDerWaalsContact C-N 3.31Å; G980-Q982 PolarHBondContact O-N 2.7Å; G980-Q983 PolarHBondContact O-N 3.25Å; G980-L984 PolarHBondContact O-N 3.34Å
981	E	29.5	Very low	41.8	Very low	144 Å²	144	87.8 Å²	87.8	67%	0.673	53%	0.526	S	S	*	.	H	α-helix	trans	-63.6	-35	177.6	-73.3	-173.8	147.1	0	0	112.5	A977 Q983 L984 T985	A977-E981 PolarHBondContact O-N 3.22Å; E981-Q983 VanDerWaalsContact C-N 3.31Å; E981-Q983 PolarHBondContact O-N 3.5Å; E981-L984 PolarHBondContact O-N 3.25Å; E981-T985 PolarHBondContact O-N 3.29Å; E981-T985 PolarHBondContact O-OG1 3.37Å
982	Q	26.8	Very low	39	Very low	150 Å²	150	92.9 Å²	92.9	70%	0.701	56%	0.557	S	S	*	*	H	α-helix	trans	-65.7	-28.9	177.2	-72.8	-170.1	-12.9	0	0	113.7	G980 T985	G980-Q982 VanDerWaalsContact C-N 3.31Å; G980-Q982 PolarHBondContact O-N 2.7Å; Q982-T985 PolarHBondContact O-OG1 3.39Å; Q982-T985 VanDerWaalsContact O-OG1 3.07Å
983	Q	25.4	Very low	36.2	Very low	149 Å²	149	93.6 Å²	93.6	70%	0.696	57%	0.569	S	S	*	*	H	α-helix	trans	-79.4	-30.5	174.6	-77.5	-171	-27.9	0	0	113.1	G980 E981 T985 S986	G980-Q983 PolarHBondContact O-N 3.25Å; E981-Q983 VanDerWaalsContact C-N 3.31Å; E981-Q983 PolarHBondContact O-N 3.5Å; Q983-T985 VanDerWaalsContact C-N 3.3Å; Q983-T985 PolarHBondContact O-N 3.05Å; Q983-S986 PolarHBondContact O-N 3.13Å; Q983-S986 PolarHBondContact O-OG 3.39Å; Q983-S986 VanDerWaalsContact O-OG 3.13Å
984	L	28.1	Very low	33.8	Very low	147 Å²	147	96.1 Å²	96.1	77%	0.77	59%	0.587	S	S	*	*	H	α-helix	trans	-75.2	-17.3	176.9	-81.1	159.6	0	0	0	113.3	G980 E981 S986	G980-L984 PolarHBondContact O-N 3.34Å; E981-L984 PolarHBondContact O-N 3.25Å; L984-S986 VanDerWaalsContact C-N 3.34Å
985	T	26.7	Very low	31.9	Very low	123 Å²	123	103 Å²	103	76%	0.755	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.6	4.9	172.2	51.1	0	0	0	0	114.7	E981 Q982 Q983	E981-T985 PolarHBondContact O-N 3.29Å; E981-T985 PolarHBondContact O-OG1 3.37Å; Q982-T985 PolarHBondContact O-OG1 3.39Å; Q982-T985 VanDerWaalsContact O-OG1 3.07Å; Q983-T985 VanDerWaalsContact C-N 3.3Å; Q983-T985 PolarHBondContact O-N 3.05Å
986	S	25.3	Very low	30.4	Very low	90 Å²	90	104.8 Å²	104.8	63%	0.629	64%	0.635	S	S	*	*			trans	-127.4	21.7	-174.7	64.1	0	0	0	0	115.5	Q983 L984	Q983-S986 PolarHBondContact O-N 3.13Å; Q983-S986 PolarHBondContact O-OG 3.39Å; Q983-S986 VanDerWaalsContact O-OG 3.13Å; L984-S986 VanDerWaalsContact C-N 3.34Å
987	V	28	Very low	29.2	Very low	195 Å²	195	108.3 Å²	108.3	100%	1.182	64%	0.643	S	S	*	*			trans	-134.9	0	173.5	-174.4	0	0	0	0	110.1

Retrieved 987 of 987 residues in 871.2 ms (Link to these results)

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