A0A060VXY3_ONCMY Loading...

Methyltransferase HEMK2

Methyltransferase that can methylate proteins and, to a lower extent, arsenic. Catalytic subunit of a heterodimer with TRMT112, which monomethylates 'Lys-12' of histone H4 (H4K12me1), a modification present at the promoters of numerous genes encoding cell cycle regulators. Catalytic subunit of a heterodimer with TRMT112, which catalyzes N5-methylation of Glu residue of proteins with a Gly-Gln-Xaa-Xaa-Xaa-Arg motif. Methylates ETF1 on 'Gln-185'; ETF1 needs to be complexed to ERF3 in its GTP-bound form to be efficiently methylated. May also play a role in the modulation of arsenic-induced toxicity by mediating the conversion of monomethylarsonous acid (3+) into the less toxic dimethylarsonic acid. It however only plays a limited role in arsenic metabolism compared with AS3MT.

AlphaFold DB , UniProt , Accession A0A060VXY3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n6amt1, Length 214 aa.

Structure Viewer

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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	57.1	Low	91	Very high	200 Å²	200	74 Å²	74	99%	0.985	42%	0.421	S	S	*	.				0	133	0	-72.8	173.5	-177.1	0	0	105.7
2	S	81.9	Confident	91.3	Very high	106 Å²	106	70 Å²	70	74%	0.741	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-86.5	130.8	172.5	175.2	0	0	0	0	108	E34	S2-E34 WeakPolarHBondContact CA-OE1 3.45Å
3	F	89.6	Confident	91.6	Very high	30 Å²	30	77.1 Å²	77.1	13%	0.132	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-98.4	122	177.1	-65.3	-89.2	0	0	0	108.1	E34 A37 F61 V65	F3-E34 HydrophobicContact CD2-CG 4.21Å; F3-E34 PolarHBondContact N-OE1 3.42Å; F3-A37 HydrophobicContact CE2-CB 3.85Å; F3-F61 HydrophobicContact CB-CD2 4.36Å; F3-F61 HydrophobicContact CB-CE2 3.41Å; F3-F61 VanDerWaalsContact CB-CE2 3.41Å; F3-F61 HydrophobicContact CB-CZ 3.75Å; F3-F61 HydrophobicContact CG-CE2 4.45Å; F3-F61 HydrophobicContact CG-CZ 4.43Å; F3-V65 HydrophobicContact CB-CG2 4.4Å; F3-V65 HydrophobicContact CD1-CG2 3.83Å; F3-V65 HydrophobicContact CD2-CG2 3.93Å; F3-V65 HydrophobicContact CE1-CB 4.26Å; F3-V65 HydrophobicContact CE1-CG2 3.98Å; F3-V65 HydrophobicContact CE2-CG1 4.38Å; F3-V65 HydrophobicContact CE2-CG2 4.05Å; F3-V65 HydrophobicContact CG-CG2 3.79Å; F3-V65 HydrophobicContact CZ-CB 4.28Å; F3-V65 HydrophobicContact CZ-CG1 4.17Å; F3-V65 HydrophobicContact CZ-CG2 4.06Å
4	P	94.3	Very high	91.9	Very high	103 Å²	103	75.7 Å²	75.7	67%	0.669	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-67.8	149.6	178.4	29.8	-34.2	0	0	0	110.1
5	T	96.3	Very high	92	Very high	69 Å²	69	77.9 Å²	77.9	42%	0.423	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-59.4	131.9	167.7	-46.9	0	0	0	0	109.4	Y8 F27 I30 V57	T5-Y8 HydrophobicContact CG2-CD1 4.29Å; T5-Y8 HydrophobicContact CG2-CE1 3.73Å; T5-F27 HydrophobicContact CG2-CD1 4.37Å; T5-F27 HydrophobicContact CG2-CE1 3.94Å; T5-I30 HydrophobicContact CG2-CD1 4.26Å; T5-V57 HydrophobicContact CG2-CG2 4.3Å
6	P	97.9	Very high	92.3	Very high	9 Å²	9	74.4 Å²	74.4	6%	0.058	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-59.5	157.3	178.4	-25.3	35.7	0	0	0	112.3	Y8 V57 A60 F61 N92	P6-Y8 WeakPolarHBondContact O-CD1 3.35Å; P6-Y8 PolarHBondContact O-N 3.28Å; P6-V57 HydrophobicContact CB-CG2 4.12Å; P6-V57 HydrophobicContact CG-CG2 4.16Å; P6-A60 HydrophobicContact CB-CB 3.91Å; P6-A60 HydrophobicContact CG-CB 3.92Å; P6-F61 HydrophobicContact CG-CB 3.8Å; P6-N92 VanDerWaalsContact CA-OD1 3.26Å; P6-N92 WeakPolarHBondContact CA-OD1 3.49Å; P6-N92 WeakPolarHBondContact CB-OD1 3.49Å
7	L	97.6	Very high	92.4	Very high	110 Å²	110	74.9 Å²	74.9	58%	0.576	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-70.5	121.6	171.6	-63.1	175.5	0	0	0	110.3	C91 N92	L7-C91 HydrophobicContact CB-CB 4.29Å; L7-N92 PolarHBondContact N-ND2 3.12Å; L7-N92 PolarHBondContact N-OD1 3.13Å; L7-N92 PolarHBondContact O-ND2 2.88Å
8	Y	96.9	Very high	92.4	Very high	63 Å²	63	76.1 Å²	76.1	25%	0.247	44%	0.44	C	S	.	.			trans	-133.6	15	-179.9	58.5	-97.8	0	0	0	113.2	T5 P6 H10 A11 P22 F27 V57	T5-Y8 HydrophobicContact CG2-CD1 4.29Å; T5-Y8 HydrophobicContact CG2-CE1 3.73Å; P6-Y8 WeakPolarHBondContact O-CD1 3.35Å; P6-Y8 PolarHBondContact O-N 3.28Å; Y8-H10 PolarHBondContact O-N 2.74Å; Y8-A11 WeakPolarHBondContact O-CB 3.41Å; Y8-A11 PolarHBondContact O-N 2.92Å; Y8-P22 HydrophobicContact CD1-CG 4.3Å; Y8-P22 HydrophobicContact CD2-CB 4.44Å; Y8-P22 HydrophobicContact CD2-CG 3.78Å; Y8-P22 HydrophobicContact CE2-CB 4.36Å; Y8-P22 HydrophobicContact CE2-CG 4.17Å; Y8-P22 HydrophobicContact CG-CG 3.87Å; Y8-F27 HydrophobicContact CE1-CE1 4.23Å; Y8-F27 HydrophobicContact CE1-CZ 4.42Å; Y8-F27 WeakPolarHBondContact OH-CZ 3.5Å; Y8-V57 HydrophobicContact CD1-CB 4.43Å; Y8-V57 HydrophobicContact CD1-CG2 3.6Å; Y8-V57 HydrophobicContact CE1-CG2 4.36Å; Y8-V57 HydrophobicContact CG-CG2 4.26Å
9	S	96.3	Very high	92.5	Very high	93 Å²	93	72.2 Å²	72.2	65%	0.65	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-14.2	-169.1	54.3	0	0	0	0	115.8	R13	S9-R13 WeakPolarHBondContact O-CD 3.22Å
10	H	97.3	Very high	92.5	Very high	30 Å²	30	71.7 Å²	71.7	14%	0.139	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-22.4	174.6	53.9	-78.1	0	0	0	113.4	Y8 R13 F16 C84 T88	Y8-H10 PolarHBondContact O-N 2.74Å; H10-R13 PolarHBondContact O-N 3.42Å; H10-F16 HydrophobicContact CB-CD2 3.97Å; H10-F16 HydrophobicContact CB-CE2 4.13Å; H10-F16 AromaticContact CD2-CD2 3.71Å; H10-F16 AromaticContact CD2-CE2 3.64Å; H10-F16 WeakPolarHBondContact O-CD2 3.35Å; H10-C84 PolarHBondContact CD2-SG 3.42Å; H10-C84 PolarHBondContact NE2-O 3.46Å; H10-T88 PolarHBondContact CE1-OG1 3.47Å; H10-T88 PolarHBondContact NE2-N 3.08Å; H10-T88 PolarHBondContact NE2-OG1 3.03Å
11	A	96.3	Very high	92.7	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.008	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	142.8	176.6	0	0	0	0	0	111.1	Y8 R13	Y8-A11 WeakPolarHBondContact O-CB 3.41Å; Y8-A11 PolarHBondContact O-N 2.92Å; A11-R13 PolarHBondContact O-N 3.1Å
12	G	94.4	Very high	94.6	Very high	26 Å²	26	64.1 Å²	64.1	27%	0.268	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	8.1	-177.1	0	0	0	0	0	114.7	F16	G12-F16 CarbonylContact C-O 3.54Å; G12-F16 WeakPolarHBondContact CA-O 3.41Å; G12-F16 PolarHBondContact N-O 3.35Å
13	R	94.9	Very high	95.3	Very high	162 Å²	162	60.8 Å²	60.8	61%	0.611	35%	0.348	S	S	*	.	S	Bend	trans	-134.4	149.9	-174.9	-57.4	179.8	-170	-109.8	-6	112.5	S9 H10 A11 P15 F16	S9-R13 WeakPolarHBondContact O-CD 3.22Å; H10-R13 PolarHBondContact O-N 3.42Å; A11-R13 PolarHBondContact O-N 3.1Å; R13-P15 WeakPolarHBondContact O-CD 3.49Å; R13-F16 CarbonylContact O-C 3.48Å; R13-F16 WeakPolarHBondContact O-CA 3.21Å; R13-F16 PolarHBondContact O-N 3.38Å
14	G	95.3	Very high	95.5	Very high	58 Å²	58	63.5 Å²	63.5	60%	0.598	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	54.7	-121.4	172.9	0	0	0	0	0	111.9	F16 T17	G14-F16 PolarHBondContact O-N 3.25Å; G14-T17 PolarHBondContact N-OG1 3.08Å; G14-T17 PolarHBondContact O-N 3.13Å; G14-T17 PolarHBondContact O-OG1 2.86Å
15	P	94.6	Very high	95.6	Very high	108 Å²	108	58.8 Å²	58.8	70%	0.701	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-68.1	-10.5	178.1	31.7	-35.8	0	0	0	114	R13	R13-P15 WeakPolarHBondContact O-CD 3.49Å
16	F	96.3	Very high	95.7	Very high	22 Å²	22	55.7 Å²	55.7	10%	0.096	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-112.6	23.8	-178.7	-48.8	-57.3	0	0	0	112.5	H10 G12 R13 G14 D18 V19 Q83 C84 E87	H10-F16 HydrophobicContact CB-CD2 3.97Å; H10-F16 HydrophobicContact CB-CE2 4.13Å; H10-F16 AromaticContact CD2-CD2 3.71Å; H10-F16 AromaticContact CD2-CE2 3.64Å; H10-F16 WeakPolarHBondContact O-CD2 3.35Å; G12-F16 CarbonylContact C-O 3.54Å; G12-F16 WeakPolarHBondContact CA-O 3.41Å; G12-F16 PolarHBondContact N-O 3.35Å; R13-F16 CarbonylContact O-C 3.48Å; R13-F16 WeakPolarHBondContact O-CA 3.21Å; R13-F16 PolarHBondContact O-N 3.38Å; G14-F16 PolarHBondContact O-N 3.25Å; F16-D18 PolarHBondContact O-N 3.05Å; F16-V19 HydrophobicContact CB-CB 4.16Å; F16-V19 HydrophobicContact CB-CG2 3.91Å; F16-V19 HydrophobicContact CD1-CG2 4.33Å; F16-V19 WeakPolarHBondContact O-CB 3.49Å; F16-V19 PolarHBondContact O-N 2.77Å; F16-V19 VanDerWaalsContact O-N 3.07Å; F16-Q83 HydrophobicContact CE1-CB 3.89Å; F16-C84 HydrophobicContact CB-CB 4.42Å; F16-C84 HydrophobicContact CD1-CB 3.55Å; F16-C84 HydrophobicContact CE1-CB 3.84Å; F16-C84 VanDerWaalsContact CE1-N 3.34Å; F16-C84 HydrophobicContact CG-CB 3.91Å; F16-C84 HydrophobicContact CZ-CB 4.41Å; F16-E87 HydrophobicContact CE2-CB 4.3Å; F16-E87 HydrophobicContact CE2-CG 4.4Å; F16-E87 HydrophobicContact CZ-CB 4.18Å
17	T	94.6	Very high	95.7	Very high	83 Å²	83	57.4 Å²	57.4	51%	0.509	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.9	179.4	-56.5	0	0	0	0	112.1	G14 V19	G14-T17 PolarHBondContact N-OG1 3.08Å; G14-T17 PolarHBondContact O-N 3.13Å; G14-T17 PolarHBondContact O-OG1 2.86Å; T17-V19 VanDerWaalsContact C-N 3.32Å; T17-V19 PolarHBondContact O-N 2.96Å
18	D	91.3	Very high	95.7	Very high	96 Å²	96	52.2 Å²	52.2	51%	0.513	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95	25.1	178.2	-54.9	-43.7	0	0	0	112.8	F16 N78 I137	F16-D18 PolarHBondContact O-N 3.05Å; D18-N78 PolarHBondContact O-ND2 3.48Å; D18-I137 HydrophobicContact CB-CB 4.37Å; D18-I137 VanDerWaalsContact O-CD1 3.24Å; D18-I137 WeakPolarHBondContact O-CD1 3.3Å
19	V	95.3	Very high	95.8	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.018	28%	0.279	C	S	.	.	S	Bend	trans	-108.6	136.7	173.4	-179.3	0	0	0	0	109.6	F16 T17 E21 G54 A80 A81 C84 I137	F16-V19 HydrophobicContact CB-CB 4.16Å; F16-V19 HydrophobicContact CB-CG2 3.91Å; F16-V19 HydrophobicContact CD1-CG2 4.33Å; F16-V19 WeakPolarHBondContact O-CB 3.49Å; F16-V19 PolarHBondContact O-N 2.77Å; F16-V19 VanDerWaalsContact O-N 3.07Å; T17-V19 VanDerWaalsContact C-N 3.32Å; T17-V19 PolarHBondContact O-N 2.96Å; V19-E21 PolarHBondContact O-N 3.19Å; V19-E21 VanDerWaalsContact O-N 3.17Å; V19-G54 WeakPolarHBondContact CG1-O 3.5Å; V19-A80 HydrophobicContact CG2-CB 3.81Å; V19-A81 HydrophobicContact CG1-CB 4.22Å; V19-A81 HydrophobicContact CG2-CB 4.37Å; V19-C84 HydrophobicContact CG1-CB 3.99Å; V19-C84 HydrophobicContact CG2-CB 4.13Å; V19-I137 VanDerWaalsContact C-CD1 3.45Å
20	Y	92.6	Very high	95.9	Very high	61 Å²	61	45 Å²	45	24%	0.239	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-56.7	117.3	178.2	-173.3	-97.4	0	0	0	111.7	A23 D25 A140	Y20-A23 WeakPolarHBondContact OH-CB 3.49Å; Y20-D25 VanDerWaalsContact OH-CG 3.25Å; Y20-D25 PolarHBondContact OH-OD1 3.19Å; Y20-D25 PolarHBondContact OH-OD2 3.03Å; Y20-D25 VanDerWaalsContact OH-OD2 3.08Å; Y20-A140 HydrophobicContact CD2-CB 3.88Å; Y20-A140 HydrophobicContact CG-CB 4.25Å
21	E	96.3	Very high	96	Very high	103 Å²	103	46 Å²	46	48%	0.481	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-75	130.3	172.2	-172.6	171.5	-168	0	0	108.9	V19 A23	V19-E21 PolarHBondContact O-N 3.19Å; V19-E21 VanDerWaalsContact O-N 3.17Å; E21-A23 PolarHBondContact O-N 3.17Å
22	P	97.1	Very high	96.1	Very high	10 Å²	10	46 Å²	46	7%	0.065	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-51	127.9	178.9	-30.5	37.9	0	0	0	113	Y8 F27 S55 V57	Y8-P22 HydrophobicContact CD1-CG 4.3Å; Y8-P22 HydrophobicContact CD2-CB 4.44Å; Y8-P22 HydrophobicContact CD2-CG 3.78Å; Y8-P22 HydrophobicContact CE2-CB 4.36Å; Y8-P22 HydrophobicContact CE2-CG 4.17Å; Y8-P22 HydrophobicContact CG-CG 3.87Å; P22-F27 HydrophobicContact CB-CE1 4.19Å; P22-F27 HydrophobicContact CB-CZ 3.89Å; P22-S55 VanDerWaalsContact CG-OG 3.28Å; P22-S55 WeakPolarHBondContact CG-OG 3.16Å; P22-V57 HydrophobicContact CB-CG1 3.97Å; P22-V57 HydrophobicContact CG-CB 4.01Å; P22-V57 HydrophobicContact CG-CG1 3.55Å; P22-V57 HydrophobicContact CG-CG2 4.49Å
23	A	95.6	Very high	96.3	Very high	36 Å²	36	44.8 Å²	44.8	30%	0.298	24%	0.243	S	C	.	.			trans	-126.2	-165.6	178.1	0	0	0	0	0	111.7	Y20 E21 D25 S26 F27	Y20-A23 WeakPolarHBondContact OH-CB 3.49Å; E21-A23 PolarHBondContact O-N 3.17Å; A23-D25 PolarHBondContact O-N 3.19Å; A23-S26 WeakPolarHBondContact O-CB 3.47Å; A23-S26 PolarHBondContact O-N 3.12Å; A23-F27 VanDerWaalsContact C-CD2 3.45Å; A23-F27 WeakPolarHBondContact O-CD2 3.45Å; A23-F27 WeakPolarHBondContact O-CG 3.25Å; A23-F27 PolarHBondContact O-N 3.23Å
24	E	95.4	Very high	96.4	Very high	87 Å²	87	40 Å²	40	41%	0.407	23%	0.227	S	C	.	.	H	α-helix	trans	-55.1	-34.1	-174.3	-72	-61.3	137.1	0	0	114	L28 R198 T200 L205	E24-L28 WeakPolarHBondContact O-CB 3.49Å; E24-L28 PolarHBondContact O-N 3.42Å; E24-R198 IonicContact OE2-NH1 3.72Å; E24-R198 PolarHBondContact OE2-NH1 3.18Å; E24-T200 HydrophobicContact CB-CG2 4.14Å; E24-T200 HydrophobicContact CG-CG2 3.94Å; E24-L205 HydrophobicContact CB-CD1 4.14Å
25	D	96.6	Very high	96.5	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-66	-43.7	175.2	62.7	-22.8	0	0	0	112.6	Y20 A23 L28 L29 N121 Y124 V171 L205	Y20-D25 VanDerWaalsContact OH-CG 3.25Å; Y20-D25 PolarHBondContact OH-OD1 3.19Å; Y20-D25 PolarHBondContact OH-OD2 3.03Å; Y20-D25 VanDerWaalsContact OH-OD2 3.08Å; A23-D25 PolarHBondContact O-N 3.19Å; D25-L28 PolarHBondContact O-N 2.91Å; D25-L29 PolarHBondContact O-N 3.21Å; D25-N121 PolarHBondContact OD2-ND2 2.72Å; D25-Y124 HydrophobicContact CB-CE1 4.04Å; D25-Y124 VanDerWaalsContact CB-OH 3.32Å; D25-Y124 WeakPolarHBondContact CB-OH 3.5Å; D25-Y124 PolarHBondContact OD2-OH 3.12Å; D25-V171 HydrophobicContact CB-CG1 4.17Å; D25-L205 HydrophobicContact CB-CD1 4.34Å; D25-L205 HydrophobicContact CB-CD2 4.13Å
26	S	97.8	Very high	96.6	Very high	5 Å²	5	38.6 Å²	38.6	4%	0.035	20%	0.196	C	C	.	.	H	α-helix	trans	-66	-44.2	176.6	-56.6	0	0	0	0	110.4	A23 L29 I30	A23-S26 WeakPolarHBondContact O-CB 3.47Å; A23-S26 PolarHBondContact O-N 3.12Å; S26-L29 PolarHBondContact O-N 3.17Å; S26-I30 WeakPolarHBondContact O-CG1 3.42Å; S26-I30 PolarHBondContact O-N 3.36Å
27	F	97.6	Very high	96.7	Very high	45 Å²	45	38 Å²	38	20%	0.197	20%	0.195	C	C	.	.	H	α-helix	trans	-69	-36.3	176.7	-60	-51.7	0	0	0	112	T5 Y8 P22 A23 L29 I30 D31	T5-F27 HydrophobicContact CG2-CD1 4.37Å; T5-F27 HydrophobicContact CG2-CE1 3.94Å; Y8-F27 HydrophobicContact CE1-CE1 4.23Å; Y8-F27 HydrophobicContact CE1-CZ 4.42Å; Y8-F27 WeakPolarHBondContact OH-CZ 3.5Å; P22-F27 HydrophobicContact CB-CE1 4.19Å; P22-F27 HydrophobicContact CB-CZ 3.89Å; A23-F27 VanDerWaalsContact C-CD2 3.45Å; A23-F27 WeakPolarHBondContact O-CD2 3.45Å; A23-F27 WeakPolarHBondContact O-CG 3.25Å; A23-F27 PolarHBondContact O-N 3.23Å; F27-L29 VanDerWaalsContact C-N 3.32Å; F27-L29 PolarHBondContact O-N 3.09Å; F27-I30 HydrophobicContact CD1-CD1 4.38Å; F27-I30 PolarHBondContact O-N 3.11Å; F27-D31 WeakPolarHBondContact O-CB 3.3Å; F27-D31 PolarHBondContact O-N 3.34Å
28	L	97.9	Very high	96.8	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-62.5	-40.3	173.4	-173.3	69.1	0	0	0	111.7	E24 D25 D31 A32 L196 R198 L205 V207	E24-L28 WeakPolarHBondContact O-CB 3.49Å; E24-L28 PolarHBondContact O-N 3.42Å; D25-L28 PolarHBondContact O-N 2.91Å; L28-D31 PolarHBondContact O-N 3.13Å; L28-A32 WeakPolarHBondContact O-CB 3.46Å; L28-A32 PolarHBondContact O-N 3.3Å; L28-L196 HydrophobicContact CD1-CD2 3.69Å; L28-L196 HydrophobicContact CD1-CG 3.79Å; L28-L196 HydrophobicContact CG-CD2 4.47Å; L28-R198 HydrophobicContact CD1-CB 3.65Å; L28-R198 HydrophobicContact CD2-CB 4.4Å; L28-L205 HydrophobicContact CD2-CB 3.48Å; L28-L205 VanDerWaalsContact CD2-CB 3.48Å; L28-V207 HydrophobicContact CD2-CG2 4.02Å; L28-V207 HydrophobicContact CG-CG2 3.82Å
29	L	98.7	Very high	97.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.6	-42.4	175	-177	55.3	0	0	0	111.6	D25 S26 F27 A32 L33 V58 N121 V171 V207	D25-L29 PolarHBondContact O-N 3.21Å; S26-L29 PolarHBondContact O-N 3.17Å; F27-L29 VanDerWaalsContact C-N 3.32Å; F27-L29 PolarHBondContact O-N 3.09Å; L29-A32 PolarHBondContact O-N 3.2Å; L29-L33 HydrophobicContact CD1-CG 4.49Å; L29-L33 HydrophobicContact CG-CD1 4.44Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.18Å; L29-L33 PolarHBondContact O-N 2.65Å; L29-V58 HydrophobicContact CD2-CG1 3.7Å; L29-V58 HydrophobicContact CD2-CG2 4.29Å; L29-V58 HydrophobicContact CG-CG1 3.83Å; L29-N121 HydrophobicContact CD2-CB 4.26Å; L29-V171 HydrophobicContact CB-CG2 3.94Å; L29-V171 HydrophobicContact CD1-CG2 4.37Å; L29-V171 HydrophobicContact CD2-CG2 4Å; L29-V171 HydrophobicContact CG-CG2 4.33Å; L29-V207 HydrophobicContact CB-CG2 4.49Å; L29-V207 HydrophobicContact CD1-CG1 3.82Å; L29-V207 HydrophobicContact CD1-CG2 4.37Å
30	I	98.6	Very high	97.2	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-58.8	-46.9	173.6	-74.3	171.3	0	0	0	111.1	T5 S26 F27 A32 L33 E34 V57 V58 F61	T5-I30 HydrophobicContact CG2-CD1 4.26Å; S26-I30 WeakPolarHBondContact O-CG1 3.42Å; S26-I30 PolarHBondContact O-N 3.36Å; F27-I30 HydrophobicContact CD1-CD1 4.38Å; F27-I30 PolarHBondContact O-N 3.11Å; I30-A32 VanDerWaalsContact C-N 3.31Å; I30-A32 PolarHBondContact O-N 3.34Å; I30-L33 CarbonylContact O-C 3.43Å; I30-L33 PolarHBondContact O-N 2.88Å; I30-L33 VanDerWaalsContact O-N 3.13Å; I30-E34 PolarHBondContact O-N 2.89Å; I30-V57 HydrophobicContact CD1-CG1 4.32Å; I30-V57 HydrophobicContact CD1-CG2 4.12Å; I30-V58 HydrophobicContact CG1-CG2 4.36Å; I30-F61 HydrophobicContact CB-CD1 4.43Å; I30-F61 HydrophobicContact CB-CG 4.5Å; I30-F61 HydrophobicContact CD1-CB 4.43Å; I30-F61 HydrophobicContact CG1-CB 4.18Å; I30-F61 HydrophobicContact CG1-CD1 4.31Å; I30-F61 HydrophobicContact CG1-CG 4.13Å; I30-F61 HydrophobicContact CG2-CD1 3.98Å; I30-F61 HydrophobicContact CG2-CD2 3.73Å; I30-F61 HydrophobicContact CG2-CE1 3.95Å; I30-F61 HydrophobicContact CG2-CE2 3.67Å; I30-F61 HydrophobicContact CG2-CG 3.88Å; I30-F61 HydrophobicContact CG2-CZ 3.8Å; I30-F61 WeakPolarHBondContact O-CE1 3.45Å
31	D	98.1	Very high	97.4	Very high	52 Å²	52	42.9 Å²	42.9	28%	0.278	21%	0.209	S	C	.	.	H	α-helix	trans	-62.6	-39	179.2	-68.8	-16.5	0	0	0	111.7	F27 L28 L33 E34 Q35 L196 R198	F27-D31 WeakPolarHBondContact O-CB 3.3Å; F27-D31 PolarHBondContact O-N 3.34Å; L28-D31 PolarHBondContact O-N 3.13Å; D31-L33 VanDerWaalsContact C-N 3.35Å; D31-E34 PolarHBondContact O-N 2.93Å; D31-Q35 WeakPolarHBondContact O-CB 3.49Å; D31-Q35 PolarHBondContact O-N 3.15Å; D31-L196 HydrophobicContact CB-CD2 3.63Å; D31-R198 IonicContact OD2-CZ 2.86Å; D31-R198 IonicContact OD2-NH2 3.9Å; D31-R198 PolarHBondContact OD2-NH2 2.77Å
32	A	98.4	Very high	97.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-39.6	174.9	0	0	0	0	0	111.8	L28 L29 I30 D36 L196 V207	L28-A32 WeakPolarHBondContact O-CB 3.46Å; L28-A32 PolarHBondContact O-N 3.3Å; L29-A32 PolarHBondContact O-N 3.2Å; I30-A32 VanDerWaalsContact C-N 3.31Å; I30-A32 PolarHBondContact O-N 3.34Å; A32-D36 WeakPolarHBondContact O-CB 3.22Å; A32-D36 PolarHBondContact O-N 2.96Å; A32-D36 VanDerWaalsContact O-N 3.16Å; A32-L196 HydrophobicContact CB-CB 4.03Å; A32-L196 HydrophobicContact CB-CD2 4.12Å; A32-V207 HydrophobicContact CB-CB 4Å; A32-V207 HydrophobicContact CB-CG1 3.86Å; A32-V207 HydrophobicContact CB-CG2 4.05Å
33	L	98.5	Very high	97.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-69.8	-36.5	175.1	-66.6	174.3	0	0	0	112.1	L29 I30 D31 D36 A37 L40 V58 F61 L62 L119 Y169	L29-L33 HydrophobicContact CD1-CG 4.49Å; L29-L33 HydrophobicContact CG-CD1 4.44Å; L29-L33 VanDerWaalsContact O-CG 3.29Å; L29-L33 WeakPolarHBondContact O-CG 3.18Å; L29-L33 PolarHBondContact O-N 2.65Å; I30-L33 CarbonylContact O-C 3.43Å; I30-L33 PolarHBondContact O-N 2.88Å; I30-L33 VanDerWaalsContact O-N 3.13Å; D31-L33 VanDerWaalsContact C-N 3.35Å; L33-D36 CarbonylContact O-C 3.54Å; L33-D36 PolarHBondContact O-N 2.87Å; L33-A37 PolarHBondContact O-N 2.55Å; L33-L40 HydrophobicContact CB-CD1 4.43Å; L33-L40 HydrophobicContact CD2-CD1 3.9Å; L33-V58 HydrophobicContact CD1-CG1 3.65Å; L33-F61 HydrophobicContact CB-CD1 4.11Å; L33-F61 HydrophobicContact CB-CE1 3.84Å; L33-F61 HydrophobicContact CD1-CD1 4.38Å; L33-L62 HydrophobicContact CD2-CD1 4.49Å; L33-L119 HydrophobicContact CD1-CD1 4.01Å; L33-L119 HydrophobicContact CD1-CD2 4.12Å; L33-L119 HydrophobicContact CD2-CD2 3.77Å; L33-L119 HydrophobicContact CG-CD2 4.5Å; L33-Y169 HydrophobicContact CD2-CD1 4.17Å; L33-Y169 HydrophobicContact CD2-CD2 4.21Å; L33-Y169 HydrophobicContact CD2-CE1 4.12Å; L33-Y169 HydrophobicContact CD2-CE2 4.18Å; L33-Y169 HydrophobicContact CD2-CG 4.22Å
34	E	98.1	Very high	97.5	Very high	61 Å²	61	50 Å²	50	29%	0.285	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-46.4	174.5	-165.4	175.6	-149.7	0	0	110.7	S2 F3 I30 D31 D36 A37 F61	S2-E34 WeakPolarHBondContact CA-OE1 3.45Å; F3-E34 HydrophobicContact CD2-CG 4.21Å; F3-E34 PolarHBondContact N-OE1 3.42Å; I30-E34 PolarHBondContact O-N 2.89Å; D31-E34 PolarHBondContact O-N 2.93Å; E34-D36 PolarHBondContact O-N 2.8Å; E34-A37 WeakPolarHBondContact O-CB 3.5Å; E34-A37 PolarHBondContact O-N 3.09Å; E34-F61 HydrophobicContact CB-CE1 4.28Å; E34-F61 HydrophobicContact CB-CZ 3.79Å; E34-F61 HydrophobicContact CG-CZ 4.21Å
35	Q	97.5	Very high	97.6	Very high	126 Å²	126	46 Å²	46	59%	0.589	22%	0.223	S	C	*	.	H	α-helix	trans	-58.3	-32.7	175.9	-172.5	-179	28.1	0	0	111.9	D31 C195	D31-Q35 WeakPolarHBondContact O-CB 3.49Å; D31-Q35 PolarHBondContact O-N 3.15Å; Q35-C195 PolarHBondContact OE1-O 3.14Å
36	D	97.6	Very high	97.7	Very high	12 Å²	12	49.6 Å²	49.6	6%	0.064	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	5.8	178.7	-92.8	-5.3	0	0	0	114.9	A32 L33 E34 D38 R39 L40 Y169 R209	A32-D36 WeakPolarHBondContact O-CB 3.22Å; A32-D36 PolarHBondContact O-N 2.96Å; A32-D36 VanDerWaalsContact O-N 3.16Å; L33-D36 CarbonylContact O-C 3.54Å; L33-D36 PolarHBondContact O-N 2.87Å; E34-D36 PolarHBondContact O-N 2.8Å; D36-D38 VanDerWaalsContact C-N 3.28Å; D36-D38 PolarHBondContact O-N 3.47Å; D36-D38 VanDerWaalsContact O-N 3.13Å; D36-R39 WeakPolarHBondContact O-CA 3.35Å; D36-R39 WeakPolarHBondContact O-CB 3.28Å; D36-R39 PolarHBondContact O-N 3.06Å; D36-R39 IonicContact OD1-NE 3.32Å; D36-L40 HydrophobicContact CB-CD1 4Å; D36-L40 HydrophobicContact CB-CG 4.16Å; D36-L40 WeakPolarHBondContact O-CG 3.27Å; D36-L40 PolarHBondContact O-N 3.31Å; D36-Y169 WeakPolarHBondContact OD2-CE1 3.36Å; D36-Y169 PolarHBondContact OD2-OH 2.83Å; D36-R209 IonicContact OD1-CZ 3.61Å; D36-R209 IonicContact OD1-NH1 2.84Å; D36-R209 PolarHBondContact OD1-NH1 2.87Å; D36-R209 WeakPolarHBondContact OD2-CD 3.37Å; D36-R209 IonicContact OD2-CZ 3.85Å; D36-R209 IonicContact OD2-NE 2.72Å; D36-R209 IonicContact OD2-NH1 3.87Å; D36-R209 PolarHBondContact OD2-NH1 3.49Å
37	A	97.8	Very high	97.8	Very high	8 Å²	8	50.2 Å²	50.2	7%	0.066	25%	0.252	C	S	.	.	H	α-helix	trans	-52.4	-43.7	-172.6	0	0	0	0	0	113.3	F3 L33 E34 L40 K41 V65	F3-A37 HydrophobicContact CE2-CB 3.85Å; L33-A37 PolarHBondContact O-N 2.55Å; E34-A37 WeakPolarHBondContact O-CB 3.5Å; E34-A37 PolarHBondContact O-N 3.09Å; A37-L40 PolarHBondContact O-N 3.38Å; A37-K41 WeakPolarHBondContact O-CB 3.38Å; A37-K41 VanDerWaalsContact O-CG 3.24Å; A37-K41 WeakPolarHBondContact O-CG 3.33Å; A37-K41 PolarHBondContact O-N 3.47Å; A37-V65 HydrophobicContact CB-CG1 3.72Å
38	D	97.1	Very high	97.8	Very high	135 Å²	135	48.2 Å²	48.2	72%	0.722	24%	0.244	S	C	*	.	H	α-helix	trans	-67.5	-37	178.6	-71.2	-23.4	0	0	0	112.4	D36 K42	D36-D38 VanDerWaalsContact C-N 3.28Å; D36-D38 PolarHBondContact O-N 3.47Å; D36-D38 VanDerWaalsContact O-N 3.13Å; D38-K42 VanDerWaalsContact O-CB 3.23Å; D38-K42 WeakPolarHBondContact O-CB 3.3Å; D38-K42 PolarHBondContact O-N 3.04Å
39	R	96.9	Very high	97.9	Very high	126 Å²	126	48.2 Å²	48.2	48%	0.475	24%	0.244	S	C	.	.	H	α-helix	trans	-65.8	-48.4	175.1	171.9	-176.2	-64	-82.2	-3.3	110.6	D36 K42 I43 L167	D36-R39 WeakPolarHBondContact O-CA 3.35Å; D36-R39 WeakPolarHBondContact O-CB 3.28Å; D36-R39 PolarHBondContact O-N 3.06Å; D36-R39 IonicContact OD1-NE 3.32Å; R39-K42 WeakPolarHBondContact O-CB 3.36Å; R39-K42 PolarHBondContact O-N 3.16Å; R39-K42 VanDerWaalsContact O-N 3.16Å; R39-I43 PolarHBondContact O-N 3.39Å; R39-L167 HydrophobicContact CG-CD1 4.27Å
40	L	97.6	Very high	97.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-43.5	-179.6	-73	169	0	0	0	110.8	L33 D36 A37 K42 I43 S44 P45 L62 I66 V117 L167 Y169	L33-L40 HydrophobicContact CB-CD1 4.43Å; L33-L40 HydrophobicContact CD2-CD1 3.9Å; D36-L40 HydrophobicContact CB-CD1 4Å; D36-L40 HydrophobicContact CB-CG 4.16Å; D36-L40 WeakPolarHBondContact O-CG 3.27Å; D36-L40 PolarHBondContact O-N 3.31Å; A37-L40 PolarHBondContact O-N 3.38Å; L40-K42 PolarHBondContact O-N 2.82Å; L40-I43 HydrophobicContact CD2-CD1 4.49Å; L40-I43 WeakPolarHBondContact O-CG1 3.32Å; L40-I43 PolarHBondContact O-N 2.83Å; L40-S44 PolarHBondContact O-N 3.32Å; L40-P45 VanDerWaalsContact O-CD 3.32Å; L40-P45 WeakPolarHBondContact O-CD 3.46Å; L40-L62 HydrophobicContact CD1-CD1 4.05Å; L40-I66 VanDerWaalsContact C-CD1 3.45Å; L40-I66 HydrophobicContact CB-CD1 3.6Å; L40-I66 WeakPolarHBondContact O-CD1 3.24Å; L40-V117 HydrophobicContact CD2-CG1 4.4Å; L40-V117 HydrophobicContact CD2-CG2 3.83Å; L40-L167 HydrophobicContact CD2-CD1 4.14Å; L40-Y169 HydrophobicContact CD2-CE2 4.21Å
41	K	97	Very high	97.9	Very high	85 Å²	85	48.4 Å²	48.4	37%	0.37	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-40	172.5	-73.7	172.8	178.2	-177.3	0	112.7	A37 I43 S44 V65	A37-K41 WeakPolarHBondContact O-CB 3.38Å; A37-K41 VanDerWaalsContact O-CG 3.24Å; A37-K41 WeakPolarHBondContact O-CG 3.33Å; A37-K41 PolarHBondContact O-N 3.47Å; K41-I43 PolarHBondContact O-N 2.58Å; K41-S44 PolarHBondContact O-N 2.88Å; K41-S44 VanDerWaalsContact O-N 3.09Å; K41-V65 WeakPolarHBondContact CE-O 3.33Å
42	K	96.9	Very high	97.9	Very high	184 Å²	184	47.3 Å²	47.3	80%	0.8	25%	0.246	S	C	*	.	H	α-helix	trans	-65	-36.1	-179.3	-176.4	177.2	179.7	179.5	0	113	D38 R39 L40 S44	D38-K42 VanDerWaalsContact O-CB 3.23Å; D38-K42 WeakPolarHBondContact O-CB 3.3Å; D38-K42 PolarHBondContact O-N 3.04Å; R39-K42 WeakPolarHBondContact O-CB 3.36Å; R39-K42 PolarHBondContact O-N 3.16Å; R39-K42 VanDerWaalsContact O-N 3.16Å; L40-K42 PolarHBondContact O-N 2.82Å; K42-S44 PolarHBondContact O-N 3.34Å
43	I	96.3	Very high	97.9	Very high	35 Å²	35	47.6 Å²	47.6	18%	0.179	25%	0.248	C	C	.	.	H	α-helix	trans	-75.5	-14.6	175	66	167.6	0	0	0	112.4	R39 L40 K41 V117 Q165 L167	R39-I43 PolarHBondContact O-N 3.39Å; L40-I43 HydrophobicContact CD2-CD1 4.49Å; L40-I43 WeakPolarHBondContact O-CG1 3.32Å; L40-I43 PolarHBondContact O-N 2.83Å; K41-I43 PolarHBondContact O-N 2.58Å; I43-V117 HydrophobicContact CD1-CG2 4.08Å; I43-Q165 PolarHBondContact O-NE2 3.22Å; I43-L167 HydrophobicContact CD1-CD1 3.91Å; I43-L167 HydrophobicContact CD1-CG 4.22Å
44	S	97	Very high	97.8	Very high	79 Å²	79	48.1 Å²	48.1	55%	0.552	25%	0.253	S	S	*	.			trans	46.7	62	176.2	-176.6	0	0	0	0	112.1	L40 K41 K42	L40-S44 PolarHBondContact O-N 3.32Å; K41-S44 PolarHBondContact O-N 2.88Å; K41-S44 VanDerWaalsContact O-N 3.09Å; K42-S44 PolarHBondContact O-N 3.34Å
45	P	98.2	Very high	97.9	Very high	3 Å²	3	45.4 Å²	45.4	2%	0.019	24%	0.241	C	C	.	.			trans	-62.7	141.6	-169.4	29.8	-35.2	0	0	0	110.7	L40 I66 A70 D116 V117	L40-P45 VanDerWaalsContact O-CD 3.32Å; L40-P45 WeakPolarHBondContact O-CD 3.46Å; P45-I66 HydrophobicContact CG-CD1 3.78Å; P45-I66 HydrophobicContact CG-CG1 3.98Å; P45-I66 HydrophobicContact CG-CG2 3.72Å; P45-A70 WeakPolarHBondContact O-CB 3.41Å; P45-D116 HydrophobicContact CB-CB 3.49Å; P45-D116 VanDerWaalsContact CB-CB 3.49Å; P45-V117 HydrophobicContact CB-CG2 4.01Å; P45-V117 HydrophobicContact CG-CG2 4.25Å
46	S	98.4	Very high	97.9	Very high	80 Å²	80	39.4 Å²	39.4	56%	0.559	21%	0.213	S	C	*	.	S	Bend	trans	-92.5	-35.3	174	-63.1	0	0	0	0	111.6	L71 D116	S46-L71 PolarHBondContact O-N 2.67Å; S46-D116 PolarHBondContact N-OD2 3.18Å
47	V	98.8	Very high	98	Very high	19 Å²	19	38.9 Å²	38.9	12%	0.115	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.1	179.2	-175.1	0	0	0	0	110.4	L73 V115 D116 V117	V47-L73 HydrophobicContact CG1-CD1 4.3Å; V47-V115 HydrophobicContact CG1-CG2 4.46Å; V47-D116 PolarHBondContact N-OD2 2.98Å; V47-D116 PolarHBondContact O-N 3.06Å; V47-V117 PolarHBondContact O-N 2.57Å
48	C	98.9	Very high	98	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.02	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	141.2	171.8	-59.9	0	0	0	0	109	L62 L71 Y72 L73 V117	C48-L62 HydrophobicContact CB-CD2 3.78Å; C48-L71 PolarHBondContact N-O 3.05Å; C48-Y72 HydrophobicContact CB-CD1 3.79Å; C48-Y72 HydrophobicContact CB-CE1 4.16Å; C48-L73 PolarHBondContact O-N 3.01Å; C48-V117 CarbonylContact C-O 3.52Å; C48-V117 WeakPolarHBondContact CA-O 3.4Å; C48-V117 HydrophobicContact CB-CB 4.39Å
49	L	98.9	Very high	98.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	124.9	178.3	176.4	61.8	0	0	0	110	V51 L73 T75 V104 L107 V115 V117 I118 L119	L49-V51 HydrophobicContact CD2-CG2 4.29Å; L49-V51 HydrophobicContact CG-CG2 4.25Å; L49-L73 CarbonylContact C-O 3.56Å; L49-L73 VanDerWaalsContact CA-O 3.28Å; L49-L73 WeakPolarHBondContact CA-O 3.49Å; L49-L73 HydrophobicContact CD1-CB 3.81Å; L49-T75 HydrophobicContact CD1-CG2 4.23Å; L49-V104 HydrophobicContact CD2-CG1 3.84Å; L49-L107 HydrophobicContact CD1-CD1 3.73Å; L49-L107 HydrophobicContact CD2-CD1 4.17Å; L49-V115 HydrophobicContact CB-CG1 3.62Å; L49-V117 PolarHBondContact N-O 3.47Å; L49-I118 CarbonylContact O-C 3.47Å; L49-I118 VanDerWaalsContact O-CA 3.26Å; L49-I118 WeakPolarHBondContact O-CA 3.27Å; L49-L119 PolarHBondContact O-N 2.62Å
50	E	98.9	Very high	98.2	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.019	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.2	162.4	-178.3	175.2	-152.3	0	0	109.7	V58 S59 L73 C74 T75 L119	E50-V58 WeakPolarHBondContact OE1-CB 3.37Å; E50-S59 WeakPolarHBondContact CB-OG 3.26Å; E50-S59 WeakPolarHBondContact OE2-CB 3.35Å; E50-S59 PolarHBondContact OE2-N 3.19Å; E50-S59 PolarHBondContact OE2-OG 2.82Å; E50-L73 PolarHBondContact N-O 3.4Å; E50-C74 CarbonylContact O-C 3.55Å; E50-C74 WeakPolarHBondContact O-CA 2.96Å; E50-T75 PolarHBondContact O-N 3.07Å; E50-L119 WeakPolarHBondContact CA-O 3.37Å; E50-L119 HydrophobicContact CB-CB 4.2Å; E50-L119 HydrophobicContact CG-CB 4.17Å
51	V	98.8	Very high	98.3	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.018	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.3	171.4	-177.5	0	0	0	0	108.5	L49 T75 L103 V104 L119 F120 F154	L49-V51 HydrophobicContact CD2-CG2 4.29Å; L49-V51 HydrophobicContact CG-CG2 4.25Å; V51-T75 WeakPolarHBondContact CA-OG1 3.41Å; V51-L103 HydrophobicContact CG1-CD2 3.93Å; V51-V104 HydrophobicContact CG2-CG1 3.84Å; V51-L119 PolarHBondContact N-O 2.99Å; V51-F120 HydrophobicContact CB-CD2 3.9Å; V51-F120 HydrophobicContact CB-CE2 4.14Å; V51-F120 HydrophobicContact CB-CG 4.21Å; V51-F120 HydrophobicContact CG1-CD2 4.06Å; V51-F120 HydrophobicContact CG1-CE2 3.77Å; V51-F120 HydrophobicContact CG1-CZ 4.04Å; V51-F120 WeakPolarHBondContact O-CD2 3.36Å; V51-F154 HydrophobicContact CG2-CE1 4.31Å; V51-F154 HydrophobicContact CG2-CE2 3.92Å; V51-F154 HydrophobicContact CG2-CZ 3.67Å
52	G	98	Very high	98.3	Very high	30 Å²	30	22.6 Å²	22.6	31%	0.309	14%	0.136	S	C	.	.	S	Bend	trans	70.8	58.9	-175.9	0	0	0	0	0	112.1	G54 T75	G52-G54 VanDerWaalsContact C-N 3.27Å; G52-G54 PolarHBondContact O-N 3.23Å; G52-T75 VanDerWaalsContact CA-O 3.29Å; G52-T75 WeakPolarHBondContact CA-O 3.37Å; G52-T75 PolarHBondContact N-O 3.09Å
53	S	98.3	Very high	98.4	Very high	6 Å²	6	14 Å²	14	4%	0.042	10%	0.1	C	C	.	.			trans	-65.1	-24	-171.9	63.4	0	0	0	0	115.3	S55 G56 T75 D76 T85	S53-S55 PolarHBondContact O-N 3.13Å; S53-G56 WeakPolarHBondContact O-CA 3.38Å; S53-G56 PolarHBondContact O-N 3.33Å; S53-T75 PolarHBondContact N-O 3.03Å; S53-D76 PolarHBondContact N-OD2 3.39Å; S53-D76 VanDerWaalsContact N-OD2 3.13Å; S53-T85 PolarHBondContact OG-OG1 3.4Å
54	G	97.8	Very high	98.5	Very high	10 Å²	10	14.9 Å²	14.9	10%	0.103	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	-112.5	-179.4	0	0	0	0	0	112	V19 G52 G56 D76 A81 T85	V19-G54 WeakPolarHBondContact CG1-O 3.5Å; G52-G54 VanDerWaalsContact C-N 3.27Å; G52-G54 PolarHBondContact O-N 3.23Å; G54-G56 VanDerWaalsContact C-N 3.29Å; G54-G56 PolarHBondContact O-N 3.34Å; G54-D76 PolarHBondContact N-OD2 2.87Å; G54-A81 CarbonylContact O-C 3.54Å; G54-A81 WeakPolarHBondContact O-CA 3.16Å; G54-A81 WeakPolarHBondContact O-CB 3.44Å; G54-A81 VanDerWaalsContact O-O 3.12Å; G54-T85 PolarHBondContact O-OG1 3.17Å
55	S	98.3	Very high	98.5	Very high	4 Å²	4	11.3 Å²	11.3	3%	0.028	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-17.8	176	64.7	0	0	0	0	114.3	P22 S53 V57 T88	P22-S55 VanDerWaalsContact CG-OG 3.28Å; P22-S55 WeakPolarHBondContact CG-OG 3.16Å; S53-S55 PolarHBondContact O-N 3.13Å; S55-V57 VanDerWaalsContact C-N 3.31Å; S55-V57 WeakPolarHBondContact OG-CG1 3.34Å; S55-V57 PolarHBondContact OG-N 3.17Å; S55-T88 WeakPolarHBondContact O-CB 3.38Å; S55-T88 PolarHBondContact O-OG1 3.16Å
56	G	98.7	Very high	98.5	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	79.6	6.9	-174.8	0	0	0	0	0	114.7	S53 G54 V58 A60 T85	S53-G56 WeakPolarHBondContact O-CA 3.38Å; S53-G56 PolarHBondContact O-N 3.33Å; G54-G56 VanDerWaalsContact C-N 3.29Å; G54-G56 PolarHBondContact O-N 3.34Å; G56-V58 VanDerWaalsContact C-N 3.34Å; G56-V58 PolarHBondContact O-N 3.15Å; G56-A60 WeakPolarHBondContact O-CB 3.49Å; G56-A60 PolarHBondContact O-N 3.08Å; G56-T85 VanDerWaalsContact CA-OG1 3.24Å; G56-T85 WeakPolarHBondContact CA-OG1 3.25Å; G56-T85 PolarHBondContact N-OG1 2.88Å
57	V	98.8	Very high	98.4	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-38.6	-175.6	72	0	0	0	0	112.5	T5 P6 Y8 P22 I30 S55 A60 F61	T5-V57 HydrophobicContact CG2-CG2 4.3Å; P6-V57 HydrophobicContact CB-CG2 4.12Å; P6-V57 HydrophobicContact CG-CG2 4.16Å; Y8-V57 HydrophobicContact CD1-CB 4.43Å; Y8-V57 HydrophobicContact CD1-CG2 3.6Å; Y8-V57 HydrophobicContact CE1-CG2 4.36Å; Y8-V57 HydrophobicContact CG-CG2 4.26Å; P22-V57 HydrophobicContact CB-CG1 3.97Å; P22-V57 HydrophobicContact CG-CB 4.01Å; P22-V57 HydrophobicContact CG-CG1 3.55Å; P22-V57 HydrophobicContact CG-CG2 4.49Å; I30-V57 HydrophobicContact CD1-CG1 4.32Å; I30-V57 HydrophobicContact CD1-CG2 4.12Å; S55-V57 VanDerWaalsContact C-N 3.31Å; S55-V57 WeakPolarHBondContact OG-CG1 3.34Å; S55-V57 PolarHBondContact OG-N 3.17Å; V57-A60 PolarHBondContact O-N 3.12Å; V57-F61 WeakPolarHBondContact O-CB 3.39Å; V57-F61 PolarHBondContact O-N 2.87Å
58	V	98.9	Very high	98.3	Very high	4 Å²	4	14.8 Å²	14.8	2%	0.024	11%	0.106	C	C	.	.	H	α-helix	trans	-73.6	-44.1	-176.4	-172.2	0	0	0	0	110.1	L29 I30 L33 E50 G56 A60 F61 L62 L119	L29-V58 HydrophobicContact CD2-CG1 3.7Å; L29-V58 HydrophobicContact CD2-CG2 4.29Å; L29-V58 HydrophobicContact CG-CG1 3.83Å; I30-V58 HydrophobicContact CG1-CG2 4.36Å; L33-V58 HydrophobicContact CD1-CG1 3.65Å; E50-V58 WeakPolarHBondContact OE1-CB 3.37Å; G56-V58 VanDerWaalsContact C-N 3.34Å; G56-V58 PolarHBondContact O-N 3.15Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 3.5Å; V58-F61 WeakPolarHBondContact O-CB 3.48Å; V58-F61 PolarHBondContact O-N 2.76Å; V58-L62 PolarHBondContact O-N 2.96Å; V58-L119 HydrophobicContact CG1-CD1 3.76Å
59	S	98.9	Very high	98.2	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.028	14%	0.141	C	C	.	.	H	α-helix	trans	-57.3	-43.7	170.5	-80.2	0	0	0	0	112.8	E50 F61 L62 A63 C74	E50-S59 WeakPolarHBondContact CB-OG 3.26Å; E50-S59 WeakPolarHBondContact OE2-CB 3.35Å; E50-S59 PolarHBondContact OE2-N 3.19Å; E50-S59 PolarHBondContact OE2-OG 2.82Å; S59-F61 VanDerWaalsContact C-N 3.31Å; S59-F61 PolarHBondContact O-N 3.45Å; S59-L62 PolarHBondContact O-N 2.7Å; S59-A63 WeakPolarHBondContact O-CB 3.34Å; S59-A63 PolarHBondContact O-N 2.67Å; S59-C74 VanDerWaalsContact CB-SG 3.59Å; S59-C74 PolarHBondContact OG-SG 3.15Å
60	A	98.8	Very high	98.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-63.1	-39.5	177.1	0	0	0	0	0	111.8	P6 G56 V57 V58 A63 S64 T88 V94 L96	P6-A60 HydrophobicContact CB-CB 3.91Å; P6-A60 HydrophobicContact CG-CB 3.92Å; G56-A60 WeakPolarHBondContact O-CB 3.49Å; G56-A60 PolarHBondContact O-N 3.08Å; V57-A60 PolarHBondContact O-N 3.12Å; V58-A60 VanDerWaalsContact C-N 3.33Å; V58-A60 PolarHBondContact O-N 3.5Å; A60-A63 PolarHBondContact O-N 3.43Å; A60-S64 PolarHBondContact O-N 3.09Å; A60-T88 HydrophobicContact CB-CG2 3.85Å; A60-V94 HydrophobicContact CB-CG2 4.09Å; A60-L96 HydrophobicContact CB-CD1 4.21Å
61	F	98.8	Very high	98.2	Very high	1 Å²	1	24.3 Å²	24.3	0%	0.004	16%	0.162	C	C	.	.	H	α-helix	trans	-63.6	-51.1	175.4	-179.4	-95.8	0	0	0	111.2	F3 P6 I30 L33 E34 V57 V58 S59 A63 S64 V65	F3-F61 HydrophobicContact CB-CD2 4.36Å; F3-F61 HydrophobicContact CB-CE2 3.41Å; F3-F61 VanDerWaalsContact CB-CE2 3.41Å; F3-F61 HydrophobicContact CB-CZ 3.75Å; F3-F61 HydrophobicContact CG-CE2 4.45Å; F3-F61 HydrophobicContact CG-CZ 4.43Å; P6-F61 HydrophobicContact CG-CB 3.8Å; I30-F61 HydrophobicContact CB-CD1 4.43Å; I30-F61 HydrophobicContact CB-CG 4.5Å; I30-F61 HydrophobicContact CD1-CB 4.43Å; I30-F61 HydrophobicContact CG1-CB 4.18Å; I30-F61 HydrophobicContact CG1-CD1 4.31Å; I30-F61 HydrophobicContact CG1-CG 4.13Å; I30-F61 HydrophobicContact CG2-CD1 3.98Å; I30-F61 HydrophobicContact CG2-CD2 3.73Å; I30-F61 HydrophobicContact CG2-CE1 3.95Å; I30-F61 HydrophobicContact CG2-CE2 3.67Å; I30-F61 HydrophobicContact CG2-CG 3.88Å; I30-F61 HydrophobicContact CG2-CZ 3.8Å; I30-F61 WeakPolarHBondContact O-CE1 3.45Å; L33-F61 HydrophobicContact CB-CD1 4.11Å; L33-F61 HydrophobicContact CB-CE1 3.84Å; L33-F61 HydrophobicContact CD1-CD1 4.38Å; E34-F61 HydrophobicContact CB-CE1 4.28Å; E34-F61 HydrophobicContact CB-CZ 3.79Å; E34-F61 HydrophobicContact CG-CZ 4.21Å; V57-F61 WeakPolarHBondContact O-CB 3.39Å; V57-F61 PolarHBondContact O-N 2.87Å; V58-F61 WeakPolarHBondContact O-CB 3.48Å; V58-F61 PolarHBondContact O-N 2.76Å; S59-F61 VanDerWaalsContact C-N 3.31Å; S59-F61 PolarHBondContact O-N 3.45Å; F61-A63 PolarHBondContact O-N 3.22Å; F61-S64 WeakPolarHBondContact O-CB 3.43Å; F61-S64 PolarHBondContact O-N 2.85Å; F61-S64 PolarHBondContact O-OG 3.34Å; F61-V65 HydrophobicContact CD1-CG2 4.13Å; F61-V65 HydrophobicContact CE1-CG2 3.66Å; F61-V65 HydrophobicContact CZ-CG2 3.87Å; F61-V65 WeakPolarHBondContact O-CG2 3.46Å; F61-V65 PolarHBondContact O-N 3.12Å; F61-V65 VanDerWaalsContact O-N 3.07Å
62	L	98.8	Very high	98.2	Very high	3 Å²	3	24.5 Å²	24.5	2%	0.016	16%	0.163	C	C	.	.	H	α-helix	trans	-56.3	-41.3	177	-179	65.8	0	0	0	111.3	L33 L40 C48 V58 S59 S64 V65 I66 Y72 V117 L119	L33-L62 HydrophobicContact CD2-CD1 4.49Å; L40-L62 HydrophobicContact CD1-CD1 4.05Å; C48-L62 HydrophobicContact CB-CD2 3.78Å; V58-L62 PolarHBondContact O-N 2.96Å; S59-L62 PolarHBondContact O-N 2.7Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 2.88Å; L62-V65 PolarHBondContact O-N 2.61Å; L62-V65 VanDerWaalsContact O-N 3.15Å; L62-I66 HydrophobicContact CD1-CG1 3.83Å; L62-I66 HydrophobicContact CG-CG1 4.24Å; L62-I66 WeakPolarHBondContact O-CB 3.32Å; L62-I66 PolarHBondContact O-N 2.79Å; L62-Y72 HydrophobicContact CG-CE1 4.4Å; L62-V117 HydrophobicContact CD2-CB 4.37Å; L62-V117 HydrophobicContact CD2-CG1 3.89Å; L62-L119 HydrophobicContact CB-CD1 4.37Å; L62-L119 HydrophobicContact CD2-CD1 3.86Å; L62-L119 HydrophobicContact CD2-CG 4.36Å
63	A	98.6	Very high	98.2	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.033	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-36.4	177	0	0	0	0	0	113.2	S59 A60 F61 V65 G67 Y72 V94 L96	S59-A63 WeakPolarHBondContact O-CB 3.34Å; S59-A63 PolarHBondContact O-N 2.67Å; A60-A63 PolarHBondContact O-N 3.43Å; F61-A63 PolarHBondContact O-N 3.22Å; A63-V65 VanDerWaalsContact C-N 3.33Å; A63-G67 WeakPolarHBondContact O-CA 3.39Å; A63-G67 PolarHBondContact O-N 3.4Å; A63-Y72 VanDerWaalsContact CA-CE1 3.44Å; A63-Y72 VanDerWaalsContact CA-CZ 3.43Å; A63-Y72 HydrophobicContact CB-CD1 3.9Å; A63-Y72 HydrophobicContact CB-CD2 3.97Å; A63-Y72 HydrophobicContact CB-CE1 3.71Å; A63-Y72 HydrophobicContact CB-CE2 3.77Å; A63-Y72 HydrophobicContact CB-CG 4.04Å; A63-V94 HydrophobicContact CB-CB 3.96Å; A63-V94 HydrophobicContact CB-CG1 3.93Å; A63-V94 HydrophobicContact CB-CG2 4.47Å; A63-L96 HydrophobicContact CB-CD2 4.24Å
64	S	97.9	Very high	98.2	Very high	52 Å²	52	23.5 Å²	23.5	36%	0.364	15%	0.15	S	C	.	.	H	α-helix	trans	-68	-32.3	173.8	81.5	0	0	0	0	112.9	A60 F61 L62	A60-S64 PolarHBondContact O-N 3.09Å; F61-S64 WeakPolarHBondContact O-CB 3.43Å; F61-S64 PolarHBondContact O-N 2.85Å; F61-S64 PolarHBondContact O-OG 3.34Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 2.88Å
65	V	97.7	Very high	98.3	Very high	5 Å²	5	23.1 Å²	23.1	3%	0.03	15%	0.145	C	C	.	.	H	α-helix	trans	-75.4	-47.6	179.5	173.6	0	0	0	0	111.6	F3 A37 K41 F61 L62 A63	F3-V65 HydrophobicContact CB-CG2 4.4Å; F3-V65 HydrophobicContact CD1-CG2 3.83Å; F3-V65 HydrophobicContact CD2-CG2 3.93Å; F3-V65 HydrophobicContact CE1-CB 4.26Å; F3-V65 HydrophobicContact CE1-CG2 3.98Å; F3-V65 HydrophobicContact CE2-CG1 4.38Å; F3-V65 HydrophobicContact CE2-CG2 4.05Å; F3-V65 HydrophobicContact CG-CG2 3.79Å; F3-V65 HydrophobicContact CZ-CB 4.28Å; F3-V65 HydrophobicContact CZ-CG1 4.17Å; F3-V65 HydrophobicContact CZ-CG2 4.06Å; A37-V65 HydrophobicContact CB-CG1 3.72Å; K41-V65 WeakPolarHBondContact CE-O 3.33Å; F61-V65 HydrophobicContact CD1-CG2 4.13Å; F61-V65 HydrophobicContact CE1-CG2 3.66Å; F61-V65 HydrophobicContact CZ-CG2 3.87Å; F61-V65 WeakPolarHBondContact O-CG2 3.46Å; F61-V65 PolarHBondContact O-N 3.12Å; F61-V65 VanDerWaalsContact O-N 3.07Å; L62-V65 PolarHBondContact O-N 2.61Å; L62-V65 VanDerWaalsContact O-N 3.15Å; A63-V65 VanDerWaalsContact C-N 3.33Å
66	I	97.8	Very high	98.3	Very high	25 Å²	25	23.8 Å²	23.8	13%	0.128	15%	0.149	C	C	.	.	H	α-helix	trans	-82.6	-38.3	-174.7	-66.6	-57.4	0	0	0	111.9	L40 P45 L62 A70 Y72	L40-I66 VanDerWaalsContact C-CD1 3.45Å; L40-I66 HydrophobicContact CB-CD1 3.6Å; L40-I66 WeakPolarHBondContact O-CD1 3.24Å; P45-I66 HydrophobicContact CG-CD1 3.78Å; P45-I66 HydrophobicContact CG-CG1 3.98Å; P45-I66 HydrophobicContact CG-CG2 3.72Å; L62-I66 HydrophobicContact CD1-CG1 3.83Å; L62-I66 HydrophobicContact CG-CG1 4.24Å; L62-I66 WeakPolarHBondContact O-CB 3.32Å; L62-I66 PolarHBondContact O-N 2.79Å; I66-A70 HydrophobicContact CG2-CB 3.84Å; I66-Y72 VanDerWaalsContact CB-OH 3.22Å; I66-Y72 WeakPolarHBondContact CB-OH 3.16Å; I66-Y72 WeakPolarHBondContact CG2-OH 3.47Å
67	G	96.9	Very high	98.1	Very high	19 Å²	19	27.5 Å²	27.5	20%	0.196	17%	0.171	C	C	.	.			trans	95.3	178.9	-178.8	0	0	0	0	0	114.4	A63 T69 Y72	A63-G67 WeakPolarHBondContact O-CA 3.39Å; A63-G67 PolarHBondContact O-N 3.4Å; G67-T69 VanDerWaalsContact C-N 3.26Å; G67-T69 PolarHBondContact O-N 3.4Å; G67-T69 VanDerWaalsContact O-N 3.12Å; G67-Y72 PolarHBondContact O-OH 3.43Å
68	P	96.6	Very high	97.9	Very high	131 Å²	131	28.7 Å²	28.7	85%	0.851	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-2	-162.1	31.1	-37.7	0	0	0	115.4
69	T	96.3	Very high	97.8	Very high	122 Å²	122	32 Å²	32	75%	0.748	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-20.2	-174.5	52.3	0	0	0	0	113.8	G67	G67-T69 VanDerWaalsContact C-N 3.26Å; G67-T69 PolarHBondContact O-N 3.4Å; G67-T69 VanDerWaalsContact O-N 3.12Å
70	A	98.4	Very high	97.7	Very high	9 Å²	9	33.1 Å²	33.1	7%	0.074	21%	0.208	C	C	.	.	S	Bend	trans	-86.3	154	176.5	0	0	0	0	0	111.3	P45 I66 Y72	P45-A70 WeakPolarHBondContact O-CB 3.41Å; I66-A70 HydrophobicContact CG2-CB 3.84Å; A70-Y72 HydrophobicContact CB-CE1 4.25Å; A70-Y72 HydrophobicContact CB-CE2 4.09Å; A70-Y72 WeakPolarHBondContact O-CD2 3.39Å; A70-Y72 WeakPolarHBondContact O-CE2 3.47Å
71	L	98.8	Very high	97.6	Very high	76 Å²	76	33.1 Å²	33.1	40%	0.398	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	126.3	167.5	175.9	64.6	0	0	0	109.5	S46 C48 L73 Q97	S46-L71 PolarHBondContact O-N 2.67Å; C48-L71 PolarHBondContact N-O 3.05Å; L71-L73 HydrophobicContact CD1-CD2 4.09Å; L71-L73 HydrophobicContact CD2-CD1 4.25Å; L71-L73 HydrophobicContact CD2-CD2 4Å; L71-L73 HydrophobicContact CD2-CG 4.08Å; L71-L73 HydrophobicContact CG-CD2 3.98Å; L71-L73 HydrophobicContact CG-CG 4.04Å; L71-Q97 HydrophobicContact CD1-CG 4.07Å
72	Y	98.9	Very high	97.5	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.027	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	102.6	177.5	-55.8	-83.4	0	0	0	110.3	C48 L62 A63 I66 G67 A70 S95 L96 Q97	C48-Y72 HydrophobicContact CB-CD1 3.79Å; C48-Y72 HydrophobicContact CB-CE1 4.16Å; L62-Y72 HydrophobicContact CG-CE1 4.4Å; A63-Y72 VanDerWaalsContact CA-CE1 3.44Å; A63-Y72 VanDerWaalsContact CA-CZ 3.43Å; A63-Y72 HydrophobicContact CB-CD1 3.9Å; A63-Y72 HydrophobicContact CB-CD2 3.97Å; A63-Y72 HydrophobicContact CB-CE1 3.71Å; A63-Y72 HydrophobicContact CB-CE2 3.77Å; A63-Y72 HydrophobicContact CB-CG 4.04Å; I66-Y72 VanDerWaalsContact CB-OH 3.22Å; I66-Y72 WeakPolarHBondContact CB-OH 3.16Å; I66-Y72 WeakPolarHBondContact CG2-OH 3.47Å; G67-Y72 PolarHBondContact O-OH 3.43Å; A70-Y72 HydrophobicContact CB-CE1 4.25Å; A70-Y72 HydrophobicContact CB-CE2 4.09Å; A70-Y72 WeakPolarHBondContact O-CD2 3.39Å; A70-Y72 WeakPolarHBondContact O-CE2 3.47Å; Y72-S95 WeakPolarHBondContact CD2-O 3.21Å; Y72-L96 HydrophobicContact CG-CD2 4.12Å; Y72-Q97 WeakPolarHBondContact O-CB 3.06Å; Y72-Q97 PolarHBondContact O-N 2.96Å
73	L	98.9	Very high	97.5	Very high	16 Å²	16	38.1 Å²	38.1	8%	0.084	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	142.5	173.6	-60	179.8	0	0	0	109.5	V47 C48 L49 E50 L71 Q97 I99 L107 L111	V47-L73 HydrophobicContact CG1-CD1 4.3Å; C48-L73 PolarHBondContact O-N 3.01Å; L49-L73 CarbonylContact C-O 3.56Å; L49-L73 VanDerWaalsContact CA-O 3.28Å; L49-L73 WeakPolarHBondContact CA-O 3.49Å; L49-L73 HydrophobicContact CD1-CB 3.81Å; E50-L73 PolarHBondContact N-O 3.4Å; L71-L73 HydrophobicContact CD1-CD2 4.09Å; L71-L73 HydrophobicContact CD2-CD1 4.25Å; L71-L73 HydrophobicContact CD2-CD2 4Å; L71-L73 HydrophobicContact CD2-CG 4.08Å; L71-L73 HydrophobicContact CG-CD2 3.98Å; L71-L73 HydrophobicContact CG-CG 4.04Å; L73-Q97 HydrophobicContact CD2-CB 3.83Å; L73-Q97 HydrophobicContact CD2-CG 4.49Å; L73-I99 HydrophobicContact CD2-CD1 4.46Å; L73-L107 HydrophobicContact CD1-CD2 4.44Å; L73-L111 HydrophobicContact CD1-CD1 3.49Å; L73-L111 VanDerWaalsContact CD1-CD1 3.49Å; L73-L111 HydrophobicContact CD1-CD2 4.17Å; L73-L111 HydrophobicContact CD1-CG 4.4Å
74	C	98.6	Very high	97.5	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.8	176.1	-51.6	0	0	0	0	107.6	E50 S59 T85 Q97 P98 I99	E50-C74 CarbonylContact O-C 3.55Å; E50-C74 WeakPolarHBondContact O-CA 2.96Å; S59-C74 VanDerWaalsContact CB-SG 3.59Å; S59-C74 PolarHBondContact OG-SG 3.15Å; C74-T85 HydrophobicContact CB-CG2 4.09Å; C74-Q97 PolarHBondContact N-O 3.41Å; C74-Q97 VanDerWaalsContact N-O 3.15Å; C74-P98 HydrophobicContact CB-CB 4.39Å; C74-P98 CarbonylContact O-C 3.58Å; C74-P98 VanDerWaalsContact O-CA 3.3Å; C74-P98 WeakPolarHBondContact O-CA 3.4Å; C74-I99 PolarHBondContact O-N 2.91Å
75	T	98.7	Very high	97.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	147.4	169.7	61.7	0	0	0	0	110.7	L49 E50 V51 G52 S53 I99 T101 L103 L107	L49-T75 HydrophobicContact CD1-CG2 4.23Å; E50-T75 PolarHBondContact O-N 3.07Å; V51-T75 WeakPolarHBondContact CA-OG1 3.41Å; G52-T75 VanDerWaalsContact CA-O 3.29Å; G52-T75 WeakPolarHBondContact CA-O 3.37Å; G52-T75 PolarHBondContact N-O 3.09Å; S53-T75 PolarHBondContact N-O 3.03Å; T75-I99 WeakPolarHBondContact CA-O 3.44Å; T75-I99 HydrophobicContact CG2-CB 4.46Å; T75-T101 HydrophobicContact CG2-CG2 3.48Å; T75-T101 VanDerWaalsContact CG2-CG2 3.48Å; T75-L103 VanDerWaalsContact CB-O 3.25Å; T75-L103 WeakPolarHBondContact CB-O 3.24Å; T75-L103 WeakPolarHBondContact CG2-O 3.35Å; T75-L103 PolarHBondContact OG1-O 2.83Å; T75-L107 HydrophobicContact CG2-CD1 3.68Å; T75-L107 HydrophobicContact CG2-CG 4.44Å
76	D	97.9	Very high	97.6	Very high	19 Å²	19	37.5 Å²	37.5	10%	0.102	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	147	167.7	-149.2	-66.2	0	0	0	109.7	S53 G54 N78 A81 I99 I100 T101	S53-D76 PolarHBondContact N-OD2 3.39Å; S53-D76 VanDerWaalsContact N-OD2 3.13Å; G54-D76 PolarHBondContact N-OD2 2.87Å; D76-N78 WeakPolarHBondContact OD1-CB 3.44Å; D76-N78 PolarHBondContact OD1-N 3.24Å; D76-A81 HydrophobicContact CB-CB 3.99Å; D76-A81 VanDerWaalsContact CG-CB 3.4Å; D76-A81 WeakPolarHBondContact OD2-CB 3.48Å; D76-I99 PolarHBondContact N-O 3.42Å; D76-I99 VanDerWaalsContact N-O 3.16Å; D76-I100 VanDerWaalsContact O-CA 3.27Å; D76-I100 WeakPolarHBondContact O-CA 3.35Å; D76-T101 CarbonylContact C-O 3.41Å; D76-T101 PolarHBondContact O-N 3.4Å
77	V	95.5	Very high	97.6	Very high	77 Å²	77	39.3 Å²	39.3	47%	0.467	23%	0.232	S	C	.	.	S	Bend	trans	-79.3	-27.6	173.9	69.7	0	0	0	0	110.7	P79	V77-P79 WeakPolarHBondContact O-CD 3.16Å
78	N	94.9	Very high	97.7	Very high	27 Å²	27	38.4 Å²	38.4	14%	0.144	22%	0.223	C	C	.	.	S	Bend	trans	-83.5	116.6	179.4	-179.3	-8.2	0	0	0	110.5	D18 D76 A80 A81 A82	D18-N78 PolarHBondContact O-ND2 3.48Å; D76-N78 WeakPolarHBondContact OD1-CB 3.44Å; D76-N78 PolarHBondContact OD1-N 3.24Å; N78-A80 PolarHBondContact O-N 3.38Å; N78-A80 VanDerWaalsContact OD1-CB 3.32Å; N78-A80 WeakPolarHBondContact OD1-CB 3.44Å; N78-A80 PolarHBondContact OD1-N 2.96Å; N78-A81 HydrophobicContact CB-CB 3.92Å; N78-A81 WeakPolarHBondContact O-CB 3.45Å; N78-A81 PolarHBondContact O-N 2.82Å; N78-A81 VanDerWaalsContact O-N 3.09Å; N78-A82 PolarHBondContact O-N 3.43Å
79	P	95.7	Very high	97.8	Very high	74 Å²	74	32.5 Å²	32.5	48%	0.481	19%	0.185	S	C	.	.	H	α-helix	trans	-57.8	-34.3	176.7	-25.6	36.2	0	0	0	113.9	V77 A81 A82 Q83 I100	V77-P79 WeakPolarHBondContact O-CD 3.16Å; P79-A81 VanDerWaalsContact C-N 3.34Å; P79-A82 PolarHBondContact O-N 3.23Å; P79-Q83 WeakPolarHBondContact O-CG 3.29Å; P79-Q83 PolarHBondContact O-N 3.08Å; P79-Q83 VanDerWaalsContact O-N 3.13Å; P79-I100 HydrophobicContact CB-CD1 3.8Å; P79-I100 HydrophobicContact CG-CD1 4.3Å; P79-I100 HydrophobicContact CG-CG2 4.26Å
80	A	96.3	Very high	97.9	Very high	26 Å²	26	33.8 Å²	33.8	22%	0.215	18%	0.176	C	C	.	.	H	α-helix	trans	-67.5	-36.3	178.1	0	0	0	0	0	111.5	V19 N78 Q83 C84	V19-A80 HydrophobicContact CG2-CB 3.81Å; N78-A80 PolarHBondContact O-N 3.38Å; N78-A80 VanDerWaalsContact OD1-CB 3.32Å; N78-A80 WeakPolarHBondContact OD1-CB 3.44Å; N78-A80 PolarHBondContact OD1-N 2.96Å; A80-Q83 PolarHBondContact O-N 3.41Å; A80-C84 WeakPolarHBondContact O-CB 3.46Å; A80-C84 PolarHBondContact O-N 3.26Å
81	A	97.3	Very high	97.9	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.017	19%	0.192	C	C	.	.	H	α-helix	trans	-65.1	-44.9	174.8	0	0	0	0	0	111.2	V19 G54 D76 N78 P79 Q83 C84 T85	V19-A81 HydrophobicContact CG1-CB 4.22Å; V19-A81 HydrophobicContact CG2-CB 4.37Å; G54-A81 CarbonylContact O-C 3.54Å; G54-A81 WeakPolarHBondContact O-CA 3.16Å; G54-A81 WeakPolarHBondContact O-CB 3.44Å; G54-A81 VanDerWaalsContact O-O 3.12Å; D76-A81 HydrophobicContact CB-CB 3.99Å; D76-A81 VanDerWaalsContact CG-CB 3.4Å; D76-A81 WeakPolarHBondContact OD2-CB 3.48Å; N78-A81 HydrophobicContact CB-CB 3.92Å; N78-A81 WeakPolarHBondContact O-CB 3.45Å; N78-A81 PolarHBondContact O-N 2.82Å; N78-A81 VanDerWaalsContact O-N 3.09Å; P79-A81 VanDerWaalsContact C-N 3.34Å; A81-Q83 VanDerWaalsContact C-N 3.29Å; A81-Q83 PolarHBondContact O-N 2.97Å; A81-C84 WeakPolarHBondContact O-CB 3.47Å; A81-C84 PolarHBondContact O-N 3.48Å; A81-C84 VanDerWaalsContact O-N 3.08Å; A81-T85 PolarHBondContact O-N 2.93Å; A81-T85 PolarHBondContact O-OG1 3.26Å
82	A	97.8	Very high	97.9	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-58.3	-39.9	174.5	0	0	0	0	0	112.7	N78 P79 L86 P98 I100	N78-A82 PolarHBondContact O-N 3.43Å; P79-A82 PolarHBondContact O-N 3.23Å; A82-L86 PolarHBondContact O-N 2.91Å; A82-P98 HydrophobicContact CB-CB 4.08Å; A82-P98 WeakPolarHBondContact O-CB 3.45Å; A82-P98 VanDerWaalsContact O-CG 3.3Å; A82-P98 WeakPolarHBondContact O-CG 3.22Å; A82-I100 HydrophobicContact CB-CD1 4.35Å; A82-I100 HydrophobicContact CB-CG1 3.62Å
83	Q	98.2	Very high	97.8	Very high	104 Å²	104	38.9 Å²	38.9	49%	0.486	22%	0.221	S	C	.	.	H	α-helix	trans	-69.9	-38.1	173.9	-65.5	-58.5	-38.8	0	0	112.4	F16 P79 A80 A81 L86 E87	F16-Q83 HydrophobicContact CE1-CB 3.89Å; P79-Q83 WeakPolarHBondContact O-CG 3.29Å; P79-Q83 PolarHBondContact O-N 3.08Å; P79-Q83 VanDerWaalsContact O-N 3.13Å; A80-Q83 PolarHBondContact O-N 3.41Å; A81-Q83 VanDerWaalsContact C-N 3.29Å; A81-Q83 PolarHBondContact O-N 2.97Å; Q83-L86 WeakPolarHBondContact O-CB 3.23Å; Q83-L86 PolarHBondContact O-N 2.79Å; Q83-E87 PolarHBondContact O-N 2.9Å
84	C	98.5	Very high	97.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-44.3	176	-171.2	0	0	0	0	111.3	H10 F16 V19 A80 A81 L86 E87 T88	H10-C84 PolarHBondContact CD2-SG 3.42Å; H10-C84 PolarHBondContact NE2-O 3.46Å; F16-C84 HydrophobicContact CB-CB 4.42Å; F16-C84 HydrophobicContact CD1-CB 3.55Å; F16-C84 HydrophobicContact CE1-CB 3.84Å; F16-C84 VanDerWaalsContact CE1-N 3.34Å; F16-C84 HydrophobicContact CG-CB 3.91Å; F16-C84 HydrophobicContact CZ-CB 4.41Å; V19-C84 HydrophobicContact CG1-CB 3.99Å; V19-C84 HydrophobicContact CG2-CB 4.13Å; A80-C84 WeakPolarHBondContact O-CB 3.46Å; A80-C84 PolarHBondContact O-N 3.26Å; A81-C84 WeakPolarHBondContact O-CB 3.47Å; A81-C84 PolarHBondContact O-N 3.48Å; A81-C84 VanDerWaalsContact O-N 3.08Å; C84-L86 VanDerWaalsContact C-N 3.29Å; C84-L86 PolarHBondContact O-N 3.2Å; C84-E87 PolarHBondContact O-N 3.13Å; C84-E87 VanDerWaalsContact O-N 3.12Å; C84-T88 PolarHBondContact O-N 2.92Å; C84-T88 PolarHBondContact O-OG1 3.44Å; C84-T88 VanDerWaalsContact O-OG1 3.09Å
85	T	98.8	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-40.8	173.5	-68.2	0	0	0	0	111.7	S53 G54 G56 C74 A81 E87 T88 S89 L96 P98	S53-T85 PolarHBondContact OG-OG1 3.4Å; G54-T85 PolarHBondContact O-OG1 3.17Å; G56-T85 VanDerWaalsContact CA-OG1 3.24Å; G56-T85 WeakPolarHBondContact CA-OG1 3.25Å; G56-T85 PolarHBondContact N-OG1 2.88Å; C74-T85 HydrophobicContact CB-CG2 4.09Å; A81-T85 PolarHBondContact O-N 2.93Å; A81-T85 PolarHBondContact O-OG1 3.26Å; T85-E87 VanDerWaalsContact C-N 3.35Å; T85-T88 PolarHBondContact O-N 2.5Å; T85-S89 WeakPolarHBondContact O-CB 3.27Å; T85-S89 PolarHBondContact O-N 2.97Å; T85-L96 HydrophobicContact CG2-CB 4.26Å; T85-L96 HydrophobicContact CG2-CD1 3.85Å; T85-P98 HydrophobicContact CG2-CB 4.07Å; T85-P98 HydrophobicContact CG2-CG 4.42Å
86	L	98.6	Very high	97.8	Very high	48 Å²	48	43.4 Å²	43.4	25%	0.251	25%	0.252	S	S	.	.	H	α-helix	trans	-65.1	-38.4	175.6	-173.1	61.2	0	0	0	112	A82 Q83 C84 S89 R90 P98	A82-L86 PolarHBondContact O-N 2.91Å; Q83-L86 WeakPolarHBondContact O-CB 3.23Å; Q83-L86 PolarHBondContact O-N 2.79Å; C84-L86 VanDerWaalsContact C-N 3.29Å; C84-L86 PolarHBondContact O-N 3.2Å; L86-S89 VanDerWaalsContact O-CB 3.25Å; L86-S89 WeakPolarHBondContact O-CB 3.45Å; L86-S89 PolarHBondContact O-N 3.45Å; L86-R90 VanDerWaalsContact CD2-NH2 3.25Å; L86-R90 WeakPolarHBondContact O-CG 3.26Å; L86-R90 PolarHBondContact O-N 3.19Å; L86-P98 HydrophobicContact CB-CG 4.16Å
87	E	98.6	Very high	97.8	Very high	64 Å²	64	46.9 Å²	46.9	30%	0.299	27%	0.268	S	S	.	.	H	α-helix	trans	-69	-41.7	175.5	-167.8	59.5	-161.3	0	0	112	F16 Q83 C84 T85 S89 R90 C91	F16-E87 HydrophobicContact CE2-CB 4.3Å; F16-E87 HydrophobicContact CE2-CG 4.4Å; F16-E87 HydrophobicContact CZ-CB 4.18Å; Q83-E87 PolarHBondContact O-N 2.9Å; C84-E87 PolarHBondContact O-N 3.13Å; C84-E87 VanDerWaalsContact O-N 3.12Å; T85-E87 VanDerWaalsContact C-N 3.35Å; E87-S89 VanDerWaalsContact C-N 3.25Å; E87-S89 PolarHBondContact O-N 2.86Å; E87-R90 WeakPolarHBondContact O-CB 3.3Å; E87-R90 PolarHBondContact O-N 2.86Å; E87-R90 VanDerWaalsContact O-N 3.09Å; E87-R90 IonicContact OE2-CZ 3.96Å; E87-R90 IonicContact OE2-NH1 2.73Å; E87-R90 PolarHBondContact OE2-NH1 2.96Å; E87-C91 PolarHBondContact O-N 2.85Å; E87-C91 PolarHBondContact O-SG 2.76Å
88	T	98.8	Very high	98	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.8	-40.6	171.3	-59.5	0	0	0	0	111.1	H10 S55 A60 C84 T85 R90 C91 N92	H10-T88 PolarHBondContact CE1-OG1 3.47Å; H10-T88 PolarHBondContact NE2-N 3.08Å; H10-T88 PolarHBondContact NE2-OG1 3.03Å; S55-T88 WeakPolarHBondContact O-CB 3.38Å; S55-T88 PolarHBondContact O-OG1 3.16Å; A60-T88 HydrophobicContact CB-CG2 3.85Å; C84-T88 PolarHBondContact O-N 2.92Å; C84-T88 PolarHBondContact O-OG1 3.44Å; C84-T88 VanDerWaalsContact O-OG1 3.09Å; T85-T88 PolarHBondContact O-N 2.5Å; T88-R90 VanDerWaalsContact C-N 3.34Å; T88-R90 PolarHBondContact O-N 2.92Å; T88-C91 PolarHBondContact O-N 2.73Å; T88-N92 WeakPolarHBondContact O-CB 3.36Å; T88-N92 PolarHBondContact O-N 2.82Å; T88-N92 PolarHBondContact O-ND2 3.47Å
89	S	98.6	Very high	98.1	Very high	7 Å²	7	45.9 Å²	45.9	5%	0.049	26%	0.261	C	S	.	.	H	α-helix	trans	-56.5	-46.8	174.3	-163.8	0	0	0	0	111.8	T85 L86 E87 A93 V94 L96	T85-S89 WeakPolarHBondContact O-CB 3.27Å; T85-S89 PolarHBondContact O-N 2.97Å; L86-S89 VanDerWaalsContact O-CB 3.25Å; L86-S89 WeakPolarHBondContact O-CB 3.45Å; L86-S89 PolarHBondContact O-N 3.45Å; E87-S89 VanDerWaalsContact C-N 3.25Å; E87-S89 PolarHBondContact O-N 2.86Å; S89-A93 PolarHBondContact O-N 2.9Å; S89-V94 PolarHBondContact O-N 2.93Å; S89-V94 VanDerWaalsContact O-N 3.11Å; S89-V94 VanDerWaalsContact O-O 3.13Å; S89-V94 PolarHBondContact OG-O 2.82Å; S89-L96 PolarHBondContact OG-N 2.67Å
90	R	98.4	Very high	98.3	Very high	148 Å²	148	46.8 Å²	46.8	56%	0.558	26%	0.261	S	S	*	.	H	α-helix	trans	-66.1	-49.3	-179.8	-67.7	177.4	-172.8	120.8	3	112.1	L86 E87 T88 N92 A93	L86-R90 VanDerWaalsContact CD2-NH2 3.25Å; L86-R90 WeakPolarHBondContact O-CG 3.26Å; L86-R90 PolarHBondContact O-N 3.19Å; E87-R90 WeakPolarHBondContact O-CB 3.3Å; E87-R90 PolarHBondContact O-N 2.86Å; E87-R90 VanDerWaalsContact O-N 3.09Å; E87-R90 IonicContact OE2-CZ 3.96Å; E87-R90 IonicContact OE2-NH1 2.73Å; E87-R90 PolarHBondContact OE2-NH1 2.96Å; T88-R90 VanDerWaalsContact C-N 3.34Å; T88-R90 PolarHBondContact O-N 2.92Å; R90-N92 PolarHBondContact O-N 2.82Å; R90-N92 VanDerWaalsContact O-N 3.17Å; R90-A93 PolarHBondContact O-N 2.82Å
91	C	98.3	Very high	98.3	Very high	60 Å²	60	46.4 Å²	46.4	41%	0.405	26%	0.256	S	S	.	.	H	α-helix	trans	-60.1	-26.7	-178.7	-71.1	0	0	0	0	113.1	L7 E87 T88	L7-C91 HydrophobicContact CB-CB 4.29Å; E87-C91 PolarHBondContact O-N 2.85Å; E87-C91 PolarHBondContact O-SG 2.76Å; T88-C91 PolarHBondContact O-N 2.73Å
92	N	98.4	Very high	98.3	Very high	41 Å²	41	49.4 Å²	49.4	22%	0.219	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.1	5.6	-177.3	-66.1	-77.2	0	0	0	114	P6 L7 T88 R90 V94	P6-N92 VanDerWaalsContact CA-OD1 3.26Å; P6-N92 WeakPolarHBondContact CA-OD1 3.49Å; P6-N92 WeakPolarHBondContact CB-OD1 3.49Å; L7-N92 PolarHBondContact N-ND2 3.12Å; L7-N92 PolarHBondContact N-OD1 3.13Å; L7-N92 PolarHBondContact O-ND2 2.88Å; T88-N92 WeakPolarHBondContact O-CB 3.36Å; T88-N92 PolarHBondContact O-N 2.82Å; T88-N92 PolarHBondContact O-ND2 3.47Å; R90-N92 PolarHBondContact O-N 2.82Å; R90-N92 VanDerWaalsContact O-N 3.17Å; N92-V94 HydrophobicContact CB-CG2 4.19Å; N92-V94 PolarHBondContact O-N 3.25Å
93	A	97.9	Very high	98.3	Very high	99 Å²	99	49.9 Å²	49.9	82%	0.818	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	37.9	-178.8	0	0	0	0	0	113.9	S89 R90	S89-A93 PolarHBondContact O-N 2.9Å; R90-A93 PolarHBondContact O-N 2.82Å
94	V	98.2	Very high	98.3	Very high	34 Å²	34	45 Å²	45	21%	0.206	25%	0.251	C	S	.	.			trans	-112.7	166.4	173.5	-64.3	0	0	0	0	110.1	A60 A63 S89 N92 L96	A60-V94 HydrophobicContact CB-CG2 4.09Å; A63-V94 HydrophobicContact CB-CB 3.96Å; A63-V94 HydrophobicContact CB-CG1 3.93Å; A63-V94 HydrophobicContact CB-CG2 4.47Å; S89-V94 PolarHBondContact O-N 2.93Å; S89-V94 VanDerWaalsContact O-N 3.11Å; S89-V94 VanDerWaalsContact O-O 3.13Å; S89-V94 PolarHBondContact OG-O 2.82Å; N92-V94 HydrophobicContact CB-CG2 4.19Å; N92-V94 PolarHBondContact O-N 3.25Å; V94-L96 HydrophobicContact CG2-CD1 4.49Å; V94-L96 HydrophobicContact CG2-CD2 4.34Å; V94-L96 HydrophobicContact CG2-CG 4.1Å
95	S	98.4	Very high	98.2	Very high	77 Å²	77	50 Å²	50	54%	0.538	28%	0.278	S	S	.	.			trans	-113.7	95.4	-179.8	-173.8	0	0	0	0	111.1	Y72 Q97	Y72-S95 WeakPolarHBondContact CD2-O 3.21Å; S95-Q97 PolarHBondContact OG-NE2 3.4Å
96	L	98.8	Very high	98.1	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.6	174.4	-52.4	-176.3	0	0	0	110.2	A60 A63 Y72 T85 S89 V94 P98	A60-L96 HydrophobicContact CB-CD1 4.21Å; A63-L96 HydrophobicContact CB-CD2 4.24Å; Y72-L96 HydrophobicContact CG-CD2 4.12Å; T85-L96 HydrophobicContact CG2-CB 4.26Å; T85-L96 HydrophobicContact CG2-CD1 3.85Å; S89-L96 PolarHBondContact OG-N 2.67Å; V94-L96 HydrophobicContact CG2-CD1 4.49Å; V94-L96 HydrophobicContact CG2-CD2 4.34Å; V94-L96 HydrophobicContact CG2-CG 4.1Å; L96-P98 WeakPolarHBondContact O-CD 3.39Å
97	Q	98.7	Very high	98.1	Very high	91 Å²	91	51.7 Å²	51.7	43%	0.425	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	82.6	-179.5	-56.5	-60.5	-59.7	0	0	109.8	L71 Y72 L73 C74 S95	L71-Q97 HydrophobicContact CD1-CG 4.07Å; Y72-Q97 WeakPolarHBondContact O-CB 3.06Å; Y72-Q97 PolarHBondContact O-N 2.96Å; L73-Q97 HydrophobicContact CD2-CB 3.83Å; L73-Q97 HydrophobicContact CD2-CG 4.49Å; C74-Q97 PolarHBondContact N-O 3.41Å; C74-Q97 VanDerWaalsContact N-O 3.15Å; S95-Q97 PolarHBondContact OG-NE2 3.4Å
98	P	98.6	Very high	97.9	Very high	35 Å²	35	50.7 Å²	50.7	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	141.4	-179.9	30	-33.7	0	0	0	112.2	C74 A82 T85 L86 L96	C74-P98 HydrophobicContact CB-CB 4.39Å; C74-P98 CarbonylContact O-C 3.58Å; C74-P98 VanDerWaalsContact O-CA 3.3Å; C74-P98 WeakPolarHBondContact O-CA 3.4Å; A82-P98 HydrophobicContact CB-CB 4.08Å; A82-P98 WeakPolarHBondContact O-CB 3.45Å; A82-P98 VanDerWaalsContact O-CG 3.3Å; A82-P98 WeakPolarHBondContact O-CG 3.22Å; T85-P98 HydrophobicContact CG2-CB 4.07Å; T85-P98 HydrophobicContact CG2-CG 4.42Å; L86-P98 HydrophobicContact CB-CG 4.16Å; L96-P98 WeakPolarHBondContact O-CD 3.39Å
99	I	98.6	Very high	97.9	Very high	48 Å²	48	55.4 Å²	55.4	25%	0.246	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.5	-178.6	-61.9	163.5	0	0	0	108.5	L73 C74 T75 D76 T101 S106 L107	L73-I99 HydrophobicContact CD2-CD1 4.46Å; C74-I99 PolarHBondContact O-N 2.91Å; T75-I99 WeakPolarHBondContact CA-O 3.44Å; T75-I99 HydrophobicContact CG2-CB 4.46Å; D76-I99 PolarHBondContact N-O 3.42Å; D76-I99 VanDerWaalsContact N-O 3.16Å; I99-T101 HydrophobicContact CG2-CG2 4.17Å; I99-T101 PolarHBondContact O-N 2.72Å; I99-S106 WeakPolarHBondContact CG2-OG 3.47Å; I99-L107 HydrophobicContact CD1-CD2 3.55Å
100	I	97.9	Very high	97.8	Very high	93 Å²	93	64.6 Å²	64.6	48%	0.477	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	110.5	175.9	-55.7	166.4	0	0	0	108.1	D76 P79 A82	D76-I100 VanDerWaalsContact O-CA 3.27Å; D76-I100 WeakPolarHBondContact O-CA 3.35Å; P79-I100 HydrophobicContact CB-CD1 3.8Å; P79-I100 HydrophobicContact CG-CD1 4.3Å; P79-I100 HydrophobicContact CG-CG2 4.26Å; A82-I100 HydrophobicContact CB-CD1 4.35Å; A82-I100 HydrophobicContact CB-CG1 3.62Å
101	T	97.4	Very high	97.8	Very high	19 Å²	19	58.5 Å²	58.5	12%	0.117	33%	0.331	C	S	.	.	S	Bend	trans	-162.3	157.7	-179.1	-173.1	0	0	0	0	110.4	T75 D76 I99 S106	T75-T101 HydrophobicContact CG2-CG2 3.48Å; T75-T101 VanDerWaalsContact CG2-CG2 3.48Å; D76-T101 CarbonylContact C-O 3.41Å; D76-T101 PolarHBondContact O-N 3.4Å; I99-T101 HydrophobicContact CG2-CG2 4.17Å; I99-T101 PolarHBondContact O-N 2.72Å; T101-S106 PolarHBondContact OG1-N 3.29Å
102	D	96.7	Very high	97.8	Very high	64 Å²	64	58.5 Å²	58.5	34%	0.342	33%	0.331	S	S	.	.	S	Bend	trans	-74.6	128.7	163.5	-169	-6.7	0	0	0	109.3	V104 D105 R153	D102-V104 PolarHBondContact O-N 3.39Å; D102-D105 WeakPolarHBondContact O-CB 3.24Å; D102-D105 PolarHBondContact O-N 3.07Å; D102-R153 IonicContact OD1-CZ 2.62Å; D102-R153 IonicContact OD1-NH2 3.87Å; D102-R153 PolarHBondContact OD1-NH2 3.19Å; D102-R153 IonicContact OD2-CZ 3.75Å; D102-R153 IonicContact OD2-NH1 2.76Å; D102-R153 IonicContact OD2-NH2 3.54Å; D102-R153 PolarHBondContact OD2-NH2 3Å
103	L	97.8	Very high	97.8	Very high	15 Å²	15	58.5 Å²	58.5	8%	0.079	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	41	-94.3	-175.4	-64.7	174.4	0	0	0	113.2	V51 T75 F120 V150 R153 F154	V51-L103 HydrophobicContact CG1-CD2 3.93Å; T75-L103 VanDerWaalsContact CB-O 3.25Å; T75-L103 WeakPolarHBondContact CB-O 3.24Å; T75-L103 WeakPolarHBondContact CG2-O 3.35Å; T75-L103 PolarHBondContact OG1-O 2.83Å; L103-F120 HydrophobicContact CD2-CE1 4.4Å; L103-F120 HydrophobicContact CD2-CZ 3.99Å; L103-V150 HydrophobicContact CD2-CG1 4.32Å; L103-R153 HydrophobicContact CD1-CB 3.95Å; L103-F154 HydrophobicContact CB-CD2 4.44Å; L103-F154 HydrophobicContact CD1-CB 4.17Å; L103-F154 HydrophobicContact CD2-CB 4.15Å; L103-F154 HydrophobicContact CD2-CD2 4.35Å; L103-F154 HydrophobicContact CD2-CG 4.47Å
104	V	98.4	Very high	97.9	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.8	19.6	-177.3	-63.4	0	0	0	0	112.4	L49 V51 D102 S106 L107 L108 F154 L157 L161	L49-V104 HydrophobicContact CD2-CG1 3.84Å; V51-V104 HydrophobicContact CG2-CG1 3.84Å; D102-V104 PolarHBondContact O-N 3.39Å; V104-S106 PolarHBondContact O-N 2.88Å; V104-L107 HydrophobicContact CB-CB 4.41Å; V104-L107 HydrophobicContact CB-CD1 4.37Å; V104-L107 HydrophobicContact CG1-CD1 4.36Å; V104-L107 WeakPolarHBondContact O-CB 3.47Å; V104-L107 PolarHBondContact O-N 3.3Å; V104-L108 HydrophobicContact CG2-CD1 4.14Å; V104-L108 PolarHBondContact O-N 3.48Å; V104-F154 HydrophobicContact CG1-CE2 3.78Å; V104-F154 HydrophobicContact CG2-CE2 4.19Å; V104-L157 HydrophobicContact CG2-CB 4.38Å; V104-L157 HydrophobicContact CG2-CD1 3.53Å; V104-L161 HydrophobicContact CG1-CD1 4.13Å; V104-L161 HydrophobicContact CG2-CD1 4.11Å
105	D	96.7	Very high	97.9	Very high	106 Å²	106	57.5 Å²	57.5	57%	0.567	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-37	-170.3	-76.8	-3.2	0	0	0	112.7	D102 L107	D102-D105 WeakPolarHBondContact O-CB 3.24Å; D102-D105 PolarHBondContact O-N 3.07Å; D105-L107 VanDerWaalsContact C-N 3.29Å; D105-L107 PolarHBondContact O-N 3.3Å
106	S	96.3	Very high	97.9	Very high	68 Å²	68	54.3 Å²	54.3	48%	0.476	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-10.9	178.1	68.3	0	0	0	0	114.8	I99 T101 V104	I99-S106 WeakPolarHBondContact CG2-OG 3.47Å; T101-S106 PolarHBondContact OG1-N 3.29Å; V104-S106 PolarHBondContact O-N 2.88Å
107	L	97.9	Very high	97.9	Very high	15 Å²	15	54.3 Å²	54.3	8%	0.079	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-23.1	-171.2	-63.5	-178.8	0	0	0	113.8	L49 L73 T75 I99 V104 D105 R110 L111	L49-L107 HydrophobicContact CD1-CD1 3.73Å; L49-L107 HydrophobicContact CD2-CD1 4.17Å; L73-L107 HydrophobicContact CD1-CD2 4.44Å; T75-L107 HydrophobicContact CG2-CD1 3.68Å; T75-L107 HydrophobicContact CG2-CG 4.44Å; I99-L107 HydrophobicContact CD1-CD2 3.55Å; V104-L107 HydrophobicContact CB-CB 4.41Å; V104-L107 HydrophobicContact CB-CD1 4.37Å; V104-L107 HydrophobicContact CG1-CD1 4.36Å; V104-L107 WeakPolarHBondContact O-CB 3.47Å; V104-L107 PolarHBondContact O-N 3.3Å; D105-L107 VanDerWaalsContact C-N 3.29Å; D105-L107 PolarHBondContact O-N 3.3Å; L107-R110 PolarHBondContact O-N 2.91Å; L107-R110 VanDerWaalsContact O-N 3.08Å; L107-L111 HydrophobicContact CB-CD1 3.82Å; L107-L111 HydrophobicContact CB-CG 4.19Å; L107-L111 HydrophobicContact CD1-CD1 3.84Å; L107-L111 HydrophobicContact CD2-CD1 4.13Å; L107-L111 HydrophobicContact CG-CD1 4.16Å; L107-L111 PolarHBondContact O-N 2.94Å
108	L	95.6	Very high	97.9	Very high	43 Å²	43	50 Å²	50	23%	0.225	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	144.4	177.3	-70.2	175.2	0	0	0	111	V104 L157 K160 L161	V104-L108 HydrophobicContact CG2-CD1 4.14Å; V104-L108 PolarHBondContact O-N 3.48Å; L108-L157 HydrophobicContact CD1-CD2 4.3Å; L108-K160 HydrophobicContact CD2-CB 4.47Å; L108-L161 HydrophobicContact CD2-CD2 3.63Å; L108-L161 HydrophobicContact CD2-CG 4.26Å; L108-L161 HydrophobicContact CG-CD2 4.08Å
109	P	97.7	Very high	97.9	Very high	100 Å²	100	48.3 Å²	48.3	65%	0.649	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.8	7	2	35.9	-36.6	0	0	0	114.2	L111 C112	P109-L111 VanDerWaalsContact C-N 3.27Å; P109-L111 PolarHBondContact O-N 3.02Å; P109-C112 VanDerWaalsContact O-CB 3.3Å; P109-C112 WeakPolarHBondContact O-CB 3.48Å; P109-C112 PolarHBondContact O-N 3.35Å; P109-C112 PolarHBondContact O-SG 2.81Å; P109-C112 VanDerWaalsContact O-SG 3.35Å
110	R	98.3	Very high	97.9	Very high	199 Å²	199	46.2 Å²	46.2	75%	0.751	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-33	-171.1	-66.7	-68.7	-66.9	163.4	-3.1	113.5	L107 K114	L107-R110 PolarHBondContact O-N 2.91Å; L107-R110 VanDerWaalsContact O-N 3.08Å; R110-K114 WeakPolarHBondContact O-CE 3.21Å
111	L	98.2	Very high	98	Very high	20 Å²	20	42.9 Å²	42.9	11%	0.105	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	10	176.4	-63.4	-170.4	0	0	0	114.8	L73 L107 P109 G113 K114 V115 L161	L73-L111 HydrophobicContact CD1-CD1 3.49Å; L73-L111 VanDerWaalsContact CD1-CD1 3.49Å; L73-L111 HydrophobicContact CD1-CD2 4.17Å; L73-L111 HydrophobicContact CD1-CG 4.4Å; L107-L111 HydrophobicContact CB-CD1 3.82Å; L107-L111 HydrophobicContact CB-CG 4.19Å; L107-L111 HydrophobicContact CD1-CD1 3.84Å; L107-L111 HydrophobicContact CD2-CD1 4.13Å; L107-L111 HydrophobicContact CG-CD1 4.16Å; L107-L111 PolarHBondContact O-N 2.94Å; P109-L111 VanDerWaalsContact C-N 3.27Å; P109-L111 PolarHBondContact O-N 3.02Å; L111-G113 PolarHBondContact O-N 3.03Å; L111-G113 VanDerWaalsContact O-N 3.1Å; L111-K114 PolarHBondContact O-N 3.39Å; L111-K114 VanDerWaalsContact O-N 3.08Å; L111-V115 HydrophobicContact CB-CG2 4.05Å; L111-V115 HydrophobicContact CD1-CG2 4.11Å; L111-L161 HydrophobicContact CB-CD2 4.2Å
112	C	98.3	Very high	98	Very high	60 Å²	60	42 Å²	42	41%	0.405	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	119.9	179	-79.3	0	0	0	0	112	P109 K114 K160	P109-C112 VanDerWaalsContact O-CB 3.3Å; P109-C112 WeakPolarHBondContact O-CB 3.48Å; P109-C112 PolarHBondContact O-N 3.35Å; P109-C112 PolarHBondContact O-SG 2.81Å; P109-C112 VanDerWaalsContact O-SG 3.35Å; C112-K114 VanDerWaalsContact C-N 3.26Å; C112-K114 WeakPolarHBondContact O-CG 3.45Å; C112-K114 PolarHBondContact O-N 3.05Å; C112-K160 CarbonylContact C-O 3.44Å; C112-K160 WeakPolarHBondContact CA-O 3.38Å
113	G	98.1	Very high	97.9	Very high	41 Å²	41	39.8 Å²	39.8	42%	0.423	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.7	18.1	178.2	0	0	0	0	0	114.8	L111 K160 L161 L162 S163	L111-G113 PolarHBondContact O-N 3.03Å; L111-G113 VanDerWaalsContact O-N 3.1Å; G113-K160 PolarHBondContact N-O 3.26Å; G113-L161 CarbonylContact C-O 3.6Å; G113-L161 PolarHBondContact N-O 2.96Å; G113-L162 WeakPolarHBondContact CA-O 3.4Å; G113-S163 WeakPolarHBondContact O-CA 3.43Å; G113-S163 WeakPolarHBondContact O-CB 3.4Å
114	K	98.6	Very high	97.8	Very high	112 Å²	112	40.2 Å²	40.2	49%	0.487	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111	-16.3	-172	-58.5	-162.4	-179.8	-162.3	0	115	R110 L111 C112 L161	R110-K114 WeakPolarHBondContact O-CE 3.21Å; L111-K114 PolarHBondContact O-N 3.39Å; L111-K114 VanDerWaalsContact O-N 3.08Å; C112-K114 VanDerWaalsContact C-N 3.26Å; C112-K114 WeakPolarHBondContact O-CG 3.45Å; C112-K114 PolarHBondContact O-N 3.05Å; K114-L161 PolarHBondContact N-O 3.13Å; K114-L161 VanDerWaalsContact N-O 3.13Å
115	V	98.8	Very high	97.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.9	-169.8	-167.7	0	0	0	0	110.2	V47 L49 L111 V117 I118 L161 L162 S163	V47-V115 HydrophobicContact CG1-CG2 4.46Å; L49-V115 HydrophobicContact CB-CG1 3.62Å; L111-V115 HydrophobicContact CB-CG2 4.05Å; L111-V115 HydrophobicContact CD1-CG2 4.11Å; V115-V117 WeakPolarHBondContact CG1-O 3.29Å; V115-I118 HydrophobicContact CB-CD1 4.32Å; V115-I118 HydrophobicContact CB-CG1 4.06Å; V115-I118 HydrophobicContact CG1-CD1 4.24Å; V115-I118 HydrophobicContact CG1-CG1 3.47Å; V115-I118 VanDerWaalsContact CG1-CG1 3.47Å; V115-L161 HydrophobicContact CG2-CB 4.24Å; V115-L161 HydrophobicContact CG2-CD2 4.29Å; V115-L161 PolarHBondContact N-O 3.08Å; V115-L162 CarbonylContact O-C 3.49Å; V115-L162 WeakPolarHBondContact O-CA 3.48Å; V115-S163 PolarHBondContact O-N 2.94Å
116	D	98.8	Very high	97.6	Very high	11 Å²	11	41.6 Å²	41.6	6%	0.059	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-28.8	-175.8	-63.1	-55	0	0	0	112.8	P45 S46 V47 S163 Q165 G166 L167	P45-D116 HydrophobicContact CB-CB 3.49Å; P45-D116 VanDerWaalsContact CB-CB 3.49Å; S46-D116 PolarHBondContact N-OD2 3.18Å; V47-D116 PolarHBondContact N-OD2 2.98Å; V47-D116 PolarHBondContact O-N 3.06Å; D116-S163 VanDerWaalsContact OD1-CB 3.27Å; D116-S163 WeakPolarHBondContact OD1-CB 3.33Å; D116-S163 PolarHBondContact OD1-OG 2.81Å; D116-Q165 WeakPolarHBondContact OD1-CG 3.47Å; D116-Q165 PolarHBondContact OD1-NE2 3.26Å; D116-G166 CarbonylContact O-C 3.58Å; D116-G166 VanDerWaalsContact O-CA 3.27Å; D116-G166 WeakPolarHBondContact O-CA 3.22Å; D116-L167 PolarHBondContact O-N 3.22Å
117	V	98.9	Very high	97.4	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	121.3	174	-177.1	0	0	0	0	108.5	L40 I43 P45 V47 C48 L49 L62 V115 L119 L167 Y169	L40-V117 HydrophobicContact CD2-CG1 4.4Å; L40-V117 HydrophobicContact CD2-CG2 3.83Å; I43-V117 HydrophobicContact CD1-CG2 4.08Å; P45-V117 HydrophobicContact CB-CG2 4.01Å; P45-V117 HydrophobicContact CG-CG2 4.25Å; V47-V117 PolarHBondContact O-N 2.57Å; C48-V117 CarbonylContact C-O 3.52Å; C48-V117 WeakPolarHBondContact CA-O 3.4Å; C48-V117 HydrophobicContact CB-CB 4.39Å; L49-V117 PolarHBondContact N-O 3.47Å; L62-V117 HydrophobicContact CD2-CB 4.37Å; L62-V117 HydrophobicContact CD2-CG1 3.89Å; V115-V117 WeakPolarHBondContact CG1-O 3.29Å; V117-L119 HydrophobicContact CG1-CD2 3.82Å; V117-L119 HydrophobicContact CG1-CG 4.27Å; V117-L167 CarbonylContact C-O 3.52Å; V117-L167 WeakPolarHBondContact CA-O 3.26Å; V117-Y169 HydrophobicContact CG1-CD2 4.31Å; V117-Y169 HydrophobicContact CG1-CE2 4.27Å
118	I	98.9	Very high	97.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.7	170.1	-59	178.5	0	0	0	108.1	L49 V115 F154 L158 L161 L162 L167 F168 Y169	L49-I118 CarbonylContact O-C 3.47Å; L49-I118 VanDerWaalsContact O-CA 3.26Å; L49-I118 WeakPolarHBondContact O-CA 3.27Å; V115-I118 HydrophobicContact CB-CD1 4.32Å; V115-I118 HydrophobicContact CB-CG1 4.06Å; V115-I118 HydrophobicContact CG1-CD1 4.24Å; V115-I118 HydrophobicContact CG1-CG1 3.47Å; V115-I118 VanDerWaalsContact CG1-CG1 3.47Å; I118-F154 HydrophobicContact CG2-CE1 4Å; I118-F154 HydrophobicContact CG2-CZ 3.9Å; I118-L158 HydrophobicContact CD1-CD2 4Å; I118-L158 HydrophobicContact CG2-CD2 4.39Å; I118-L161 HydrophobicContact CD1-CB 3.72Å; I118-L161 HydrophobicContact CD1-CD1 4.1Å; I118-L162 HydrophobicContact CB-CD2 4.45Å; I118-L162 HydrophobicContact CD1-CD2 3.56Å; I118-L162 HydrophobicContact CD1-CG 3.71Å; I118-L162 HydrophobicContact CG1-CD2 3.82Å; I118-L167 PolarHBondContact N-O 2.83Å; I118-F168 HydrophobicContact CB-CB 4.34Å; I118-F168 HydrophobicContact CB-CD2 3.83Å; I118-F168 HydrophobicContact CG2-CD2 3.61Å; I118-F168 HydrophobicContact CG2-CE2 4.01Å; I118-F168 CarbonylContact O-C 3.57Å; I118-F168 WeakPolarHBondContact O-CA 3.36Å; I118-Y169 PolarHBondContact O-N 2.88Å
119	L	98.9	Very high	97	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	137.1	172.7	-52.3	179.9	0	0	0	108.9	L33 L49 E50 V51 V58 L62 V117 Y169	L33-L119 HydrophobicContact CD1-CD1 4.01Å; L33-L119 HydrophobicContact CD1-CD2 4.12Å; L33-L119 HydrophobicContact CD2-CD2 3.77Å; L33-L119 HydrophobicContact CG-CD2 4.5Å; L49-L119 PolarHBondContact O-N 2.62Å; E50-L119 WeakPolarHBondContact CA-O 3.37Å; E50-L119 HydrophobicContact CB-CB 4.2Å; E50-L119 HydrophobicContact CG-CB 4.17Å; V51-L119 PolarHBondContact N-O 2.99Å; V58-L119 HydrophobicContact CG1-CD1 3.76Å; L62-L119 HydrophobicContact CB-CD1 4.37Å; L62-L119 HydrophobicContact CD2-CD1 3.86Å; L62-L119 HydrophobicContact CD2-CG 4.36Å; V117-L119 HydrophobicContact CG1-CD2 3.82Å; V117-L119 HydrophobicContact CG1-CG 4.27Å; L119-Y169 HydrophobicContact CD2-CD2 3.8Å; L119-Y169 HydrophobicContact CD2-CG 4.07Å
120	F	98.8	Very high	96.6	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.018	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	114.3	169.9	-164.9	-168.3	0	0	0	110.5	V51 L103 P122 V150 M151 F154 F168 Y169 L170 V171	V51-F120 HydrophobicContact CB-CD2 3.9Å; V51-F120 HydrophobicContact CB-CE2 4.14Å; V51-F120 HydrophobicContact CB-CG 4.21Å; V51-F120 HydrophobicContact CG1-CD2 4.06Å; V51-F120 HydrophobicContact CG1-CE2 3.77Å; V51-F120 HydrophobicContact CG1-CZ 4.04Å; V51-F120 WeakPolarHBondContact O-CD2 3.36Å; L103-F120 HydrophobicContact CD2-CE1 4.4Å; L103-F120 HydrophobicContact CD2-CZ 3.99Å; F120-P122 HydrophobicContact CD1-CB 4.16Å; F120-P122 HydrophobicContact CD2-CB 4.03Å; F120-P122 HydrophobicContact CE1-CB 3.85Å; F120-P122 HydrophobicContact CE2-CB 3.73Å; F120-P122 HydrophobicContact CG-CB 4.27Å; F120-P122 HydrophobicContact CZ-CB 3.64Å; F120-P122 VanDerWaalsContact O-CD 3.26Å; F120-P122 WeakPolarHBondContact O-CD 3.42Å; F120-V150 HydrophobicContact CZ-CG1 4.14Å; F120-M151 HydrophobicContact CE1-CB 4.27Å; F120-F154 HydrophobicContact CD1-CB 4.47Å; F120-F154 AromaticContact CD1-CD1 3.51Å; F120-F154 HydrophobicContact CD1-CD1 3.51Å; F120-F154 HydrophobicContact CD1-CE1 4.03Å; F120-F154 HydrophobicContact CD1-CG 4.21Å; F120-F154 HydrophobicContact CE1-CB 3.91Å; F120-F154 AromaticContact CE1-CD1 3.8Å; F120-F154 HydrophobicContact CE1-CD1 3.8Å; F120-F154 HydrophobicContact CE1-CG 4.02Å; F120-F154 HydrophobicContact CG-CD1 4.48Å; F120-F168 HydrophobicContact CB-CE2 3.82Å; F120-F168 HydrophobicContact CB-CZ 4.36Å; F120-Y169 PolarHBondContact N-O 3.2Å; F120-L170 HydrophobicContact CB-CD1 4.23Å; F120-L170 HydrophobicContact CD1-CD1 4.17Å; F120-L170 HydrophobicContact CG-CD1 4.42Å; F120-L170 WeakPolarHBondContact O-CA 3.34Å; F120-V171 PolarHBondContact O-N 2.96Å; F120-V171 VanDerWaalsContact O-N 3.08Å
121	N	98.6	Very high	96	Very high	24 Å²	24	40.2 Å²	40.2	13%	0.128	23%	0.228	C	C	.	.			trans	-100.8	87.6	161.3	-174.9	19.8	0	0	0	107.6	D25 L29 Y124 V171	D25-N121 PolarHBondContact OD2-ND2 2.72Å; L29-N121 HydrophobicContact CD2-CB 4.26Å; N121-Y124 WeakPolarHBondContact OD1-CE1 3.11Å; N121-V171 HydrophobicContact CB-CB 4.35Å; N121-V171 HydrophobicContact CB-CG2 3.94Å; N121-V171 VanDerWaalsContact OD1-CB 3.25Å; N121-V171 WeakPolarHBondContact OD1-CB 3.33Å; N121-V171 WeakPolarHBondContact OD1-CG1 3.33Å
122	P	97.7	Very high	95.5	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.006	23%	0.232	C	C	.	.			trans	-74.8	164.3	-170.8	32.8	-37.8	0	0	0	111.7	F120 Y124 M151 L170 V171	F120-P122 HydrophobicContact CD1-CB 4.16Å; F120-P122 HydrophobicContact CD2-CB 4.03Å; F120-P122 HydrophobicContact CE1-CB 3.85Å; F120-P122 HydrophobicContact CE2-CB 3.73Å; F120-P122 HydrophobicContact CG-CB 4.27Å; F120-P122 HydrophobicContact CZ-CB 3.64Å; F120-P122 VanDerWaalsContact O-CD 3.26Å; F120-P122 WeakPolarHBondContact O-CD 3.42Å; P122-Y124 WeakPolarHBondContact O-CD1 3.41Å; P122-Y124 PolarHBondContact O-N 3.16Å; P122-M151 HydrophobicContact CB-CB 4.22Å; P122-M151 HydrophobicContact CB-CE 4.28Å; P122-M151 HydrophobicContact CG-CB 4.36Å; P122-M151 HydrophobicContact CG-CE 3.57Å; P122-M151 HydrophobicContact CG-SD 4.45Å; P122-L170 HydrophobicContact CG-CD1 3.83Å; P122-V171 WeakPolarHBondContact CD-O 3.49Å
123	P	95.8	Very high	94.5	Very high	16 Å²	16	41 Å²	41	10%	0.104	25%	0.245	C	C	.	.			trans	-63.5	103.6	159	28.2	-33.5	0	0	0	109	A139 W141 G143 V150	P123-A139 WeakPolarHBondContact CB-O 3.36Å; P123-W141 CarbonylContact C-O 3.57Å; P123-G143 WeakPolarHBondContact O-CA 3.22Å; P123-V150 HydrophobicContact CG-CB 3.78Å; P123-V150 HydrophobicContact CG-CG1 3.83Å; P123-V150 HydrophobicContact CG-CG2 3.67Å
124	Y	95.2	Very high	93.5	Very high	24 Å²	24	40.4 Å²	40.4	9%	0.094	23%	0.234	C	C	.	.			trans	-108.9	-1.3	-170.7	55.4	-112.2	0	0	0	114	D25 N121 P122 W141 G147 V171 V173 N176	D25-Y124 HydrophobicContact CB-CE1 4.04Å; D25-Y124 VanDerWaalsContact CB-OH 3.32Å; D25-Y124 WeakPolarHBondContact CB-OH 3.5Å; D25-Y124 PolarHBondContact OD2-OH 3.12Å; N121-Y124 WeakPolarHBondContact OD1-CE1 3.11Å; P122-Y124 WeakPolarHBondContact O-CD1 3.41Å; P122-Y124 PolarHBondContact O-N 3.16Å; Y124-W141 PolarHBondContact N-O 3Å; Y124-G147 WeakPolarHBondContact O-CA 3.35Å; Y124-V171 HydrophobicContact CD1-CG1 4.38Å; Y124-V171 HydrophobicContact CE1-CG1 4.17Å; Y124-V173 HydrophobicContact CD2-CB 4.46Å; Y124-V173 HydrophobicContact CD2-CG1 3.65Å; Y124-V173 HydrophobicContact CD2-CG2 3.99Å; Y124-V173 HydrophobicContact CE2-CG1 3.65Å; Y124-V173 HydrophobicContact CG-CG1 4.45Å; Y124-N176 WeakPolarHBondContact CB-OD1 3.35Å; Y124-N176 PolarHBondContact O-ND2 3.08Å
125	V	94.3	Very high	92.2	Very high	55 Å²	55	43.8 Å²	43.8	33%	0.333	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-76.1	137.8	-176.9	-179.7	0	0	0	0	109.6	T127 W141 G143	V125-T127 HydrophobicContact CG1-CG2 4.24Å; V125-T127 PolarHBondContact O-N 2.9Å; V125-W141 HydrophobicContact CB-CB 4.26Å; V125-W141 VanDerWaalsContact CB-O 3.26Å; V125-W141 WeakPolarHBondContact CB-O 3.47Å; V125-W141 HydrophobicContact CG2-CB 3.85Å; V125-W141 PolarHBondContact N-O 3.02Å; V125-G143 WeakPolarHBondContact O-CA 3.41Å; V125-G143 PolarHBondContact O-N 3.37Å
126	V	95.1	Very high	91	Very high	80 Å²	80	45 Å²	45	49%	0.485	26%	0.263	S	S	.	.			trans	-69.5	115.9	174.7	-175.3	0	0	0	0	109	E175	V126-E175 HydrophobicContact CG2-CB 3.86Å; V126-E175 HydrophobicContact CG2-CG 4.31Å
127	T	93.8	Very high	90.1	Very high	18 Å²	18	46.6 Å²	46.6	11%	0.11	27%	0.272	C	S	.	.			trans	-133.9	164.9	178.1	61.6	0	0	0	0	110	V125 A142 G144	V125-T127 HydrophobicContact CG1-CG2 4.24Å; V125-T127 PolarHBondContact O-N 2.9Å; T127-A142 HydrophobicContact CG2-CB 4.15Å; T127-G144 PolarHBondContact N-O 3.17Å; T127-G144 CarbonylContact O-C 3.57Å; T127-G144 VanDerWaalsContact O-CA 3.24Å; T127-G144 WeakPolarHBondContact O-CA 3.36Å; T127-G144 WeakPolarHBondContact OG1-CA 3.24Å; T127-G144 PolarHBondContact OG1-N 2.84Å
128	P	93.3	Very high	89.3	Confident	69 Å²	69	49.7 Å²	49.7	45%	0.448	29%	0.286	S	S	.	.			trans	-52.9	143.4	161	-22.5	33.5	0	0	0	111	E130 E131	P128-E130 WeakPolarHBondContact CB-OE2 3.4Å; P128-E130 PolarHBondContact O-N 3.46Å; P128-E131 HydrophobicContact CB-CG 4.49Å; P128-E131 WeakPolarHBondContact CD-OE1 3.14Å; P128-E131 PolarHBondContact O-N 3.41Å; P128-E131 VanDerWaalsContact O-N 3.13Å
129	S	91.9	Very high	88.6	Confident	59 Å²	59	50.9 Å²	50.9	41%	0.413	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-63.7	-24.5	-178	-58.5	0	0	0	0	112.4	E131 V132 E149	S129-E131 PolarHBondContact O-N 2.78Å; S129-V132 WeakPolarHBondContact O-CB 3.27Å; S129-V132 PolarHBondContact O-N 2.88Å; S129-E149 VanDerWaalsContact CB-OE1 3.31Å; S129-E149 WeakPolarHBondContact CB-OE1 3.25Å; S129-E149 PolarHBondContact OG-OE1 2.85Å
130	E	89.3	Confident	87.9	Confident	167 Å²	167	52.7 Å²	52.7	78%	0.78	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-68.2	-18.8	178	-55.6	79	-171.7	0	0	113	P128	P128-E130 WeakPolarHBondContact CB-OE2 3.4Å; P128-E130 PolarHBondContact O-N 3.46Å
131	E	85.6	Confident	87.4	Confident	84 Å²	84	57.2 Å²	57.2	39%	0.393	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-84.5	-12.7	176.5	-64.3	179.6	-157.9	0	0	112.5	P128 S129 A142	P128-E131 HydrophobicContact CB-CG 4.49Å; P128-E131 WeakPolarHBondContact CD-OE1 3.14Å; P128-E131 PolarHBondContact O-N 3.41Å; P128-E131 VanDerWaalsContact O-N 3.13Å; S129-E131 PolarHBondContact O-N 2.78Å; E131-A142 HydrophobicContact CB-CB 4.15Å; E131-A142 WeakPolarHBondContact O-CB 3.4Å
132	V	87.4	Confident	87.2	Confident	32 Å²	32	56.1 Å²	56.1	19%	0.194	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	132	178.7	-178.3	0	0	0	0	110.3	S129 G144 E149 V150	S129-V132 WeakPolarHBondContact O-CB 3.27Å; S129-V132 PolarHBondContact O-N 2.88Å; V132-G144 VanDerWaalsContact CG2-CA 3.4Å; V132-E149 HydrophobicContact CG2-CB 4.45Å; V132-V150 HydrophobicContact CG1-CG2 3.71Å
133	G	77.5	Confident	87	Confident	64 Å²	64	56 Å²	56	66%	0.66	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	16.8	176.6	0	0	0	0	0	114.3
134	S	76.4	Confident	87	Confident	29 Å²	29	55.3 Å²	55.3	20%	0.203	32%	0.317	C	S	.	.			trans	-57	162.6	163.2	68.2	0	0	0	0	111.6	E138 A139	S134-E138 WeakPolarHBondContact CB-OE1 3.43Å; S134-E138 VanDerWaalsContact OG-CG 3.25Å; S134-E138 WeakPolarHBondContact OG-CG 3.28Å; S134-E138 PolarHBondContact OG-OE1 3.27Å; S134-A139 WeakPolarHBondContact O-CB 3.31Å; S134-A139 PolarHBondContact OG-N 2.85Å; S134-A139 VanDerWaalsContact OG-N 3.17Å
135	Q	70.3	Confident	87	Confident	183 Å²	183	62.2 Å²	62.2	86%	0.855	34%	0.343	S	S	*	.	S	Bend	trans	-105.6	-4.4	179.6	-64.7	-164.8	-21.2	0	0	113.3
136	G	74.2	Confident	87	Confident	24 Å²	24	67.2 Å²	67.2	25%	0.247	36%	0.356	C	S	.	.	S	Bend	trans	-86.3	-169.9	176.2	0	0	0	0	0	112.8	E138 A139	G136-E138 VanDerWaalsContact CA-OE1 3.24Å; G136-E138 WeakPolarHBondContact CA-OE1 3.46Å; G136-E138 WeakPolarHBondContact CA-OE2 3.47Å; G136-E138 PolarHBondContact N-OE1 3.46Å; G136-E138 VanDerWaalsContact N-OE1 3.12Å; G136-E138 PolarHBondContact O-N 3.42Å; G136-A139 WeakPolarHBondContact O-CB 3.17Å; G136-A139 PolarHBondContact O-N 3.5Å
137	I	80.1	Confident	87.1	Confident	45 Å²	45	63.4 Å²	63.4	23%	0.231	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-59.1	-26.7	177.8	-174.2	69.8	0	0	0	111.7	D18 V19 A139 A140 W141	D18-I137 HydrophobicContact CB-CB 4.37Å; D18-I137 VanDerWaalsContact O-CD1 3.24Å; D18-I137 WeakPolarHBondContact O-CD1 3.3Å; V19-I137 VanDerWaalsContact C-CD1 3.45Å; I137-A139 PolarHBondContact O-N 2.96Å; I137-A139 VanDerWaalsContact O-N 3.15Å; I137-A140 WeakPolarHBondContact O-CB 3.47Å; I137-A140 PolarHBondContact O-N 3.34Å; I137-W141 HydrophobicContact CB-CZ3 4.28Å; I137-W141 HydrophobicContact CG1-CZ3 3.78Å; I137-W141 HydrophobicContact CG2-CH2 3.87Å; I137-W141 HydrophobicContact CG2-CZ3 3.93Å; I137-W141 WeakPolarHBondContact O-CZ3 3.44Å
138	E	82.4	Confident	87.3	Confident	66 Å²	66	63.1 Å²	63.1	31%	0.308	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-61.9	-21.8	179.6	63.4	-63.4	157.4	0	0	114.2	S134 G136 A140 W141 A142	S134-E138 WeakPolarHBondContact CB-OE1 3.43Å; S134-E138 VanDerWaalsContact OG-CG 3.25Å; S134-E138 WeakPolarHBondContact OG-CG 3.28Å; S134-E138 PolarHBondContact OG-OE1 3.27Å; G136-E138 VanDerWaalsContact CA-OE1 3.24Å; G136-E138 WeakPolarHBondContact CA-OE1 3.46Å; G136-E138 WeakPolarHBondContact CA-OE2 3.47Å; G136-E138 PolarHBondContact N-OE1 3.46Å; G136-E138 VanDerWaalsContact N-OE1 3.12Å; G136-E138 PolarHBondContact O-N 3.42Å; E138-A140 PolarHBondContact O-N 3.36Å; E138-A140 VanDerWaalsContact O-N 3.17Å; E138-W141 VanDerWaalsContact CA-CH2 3.41Å; E138-W141 VanDerWaalsContact CA-CZ2 3.4Å; E138-W141 HydrophobicContact CB-CD2 4.41Å; E138-W141 HydrophobicContact CB-CH2 3.64Å; E138-W141 HydrophobicContact CB-CZ2 3.26Å; E138-W141 HydrophobicContact CB-CZ3 4.34Å; E138-W141 PolarHBondContact O-N 3.08Å; E138-W141 VanDerWaalsContact O-N 3.16Å; E138-A142 VanDerWaalsContact O-CB 3.29Å; E138-A142 WeakPolarHBondContact O-CB 3.43Å; E138-A142 PolarHBondContact O-N 2.84Å
139	A	83.6	Confident	87.5	Confident	24 Å²	24	62.7 Å²	62.7	20%	0.198	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-60.9	-21.4	170.1	0	0	0	0	0	113.4	P123 S134 G136 I137 W141	P123-A139 WeakPolarHBondContact CB-O 3.36Å; S134-A139 WeakPolarHBondContact O-CB 3.31Å; S134-A139 PolarHBondContact OG-N 2.85Å; S134-A139 VanDerWaalsContact OG-N 3.17Å; G136-A139 WeakPolarHBondContact O-CB 3.17Å; G136-A139 PolarHBondContact O-N 3.5Å; I137-A139 PolarHBondContact O-N 2.96Å; I137-A139 VanDerWaalsContact O-N 3.15Å; A139-W141 VanDerWaalsContact C-N 3.31Å
140	A	85.1	Confident	87.7	Confident	38 Å²	38	60.9 Å²	60.9	31%	0.314	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-73.1	-21	178.5	0	0	0	0	0	113.2	Y20 I137 E138	Y20-A140 HydrophobicContact CD2-CB 3.88Å; Y20-A140 HydrophobicContact CG-CB 4.25Å; I137-A140 WeakPolarHBondContact O-CB 3.47Å; I137-A140 PolarHBondContact O-N 3.34Å; E138-A140 PolarHBondContact O-N 3.36Å; E138-A140 VanDerWaalsContact O-N 3.17Å
141	W	88.3	Confident	88.1	Confident	99 Å²	99	52.9 Å²	52.9	38%	0.375	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	-27.5	-178.1	68.7	79.2	0	0	0	114.8	P123 Y124 V125 I137 E138 A139 G143	P123-W141 CarbonylContact C-O 3.57Å; Y124-W141 PolarHBondContact N-O 3Å; V125-W141 HydrophobicContact CB-CB 4.26Å; V125-W141 VanDerWaalsContact CB-O 3.26Å; V125-W141 WeakPolarHBondContact CB-O 3.47Å; V125-W141 HydrophobicContact CG2-CB 3.85Å; V125-W141 PolarHBondContact N-O 3.02Å; I137-W141 HydrophobicContact CB-CZ3 4.28Å; I137-W141 HydrophobicContact CG1-CZ3 3.78Å; I137-W141 HydrophobicContact CG2-CH2 3.87Å; I137-W141 HydrophobicContact CG2-CZ3 3.93Å; I137-W141 WeakPolarHBondContact O-CZ3 3.44Å; E138-W141 VanDerWaalsContact CA-CH2 3.41Å; E138-W141 VanDerWaalsContact CA-CZ2 3.4Å; E138-W141 HydrophobicContact CB-CD2 4.41Å; E138-W141 HydrophobicContact CB-CH2 3.64Å; E138-W141 HydrophobicContact CB-CZ2 3.26Å; E138-W141 HydrophobicContact CB-CZ3 4.34Å; E138-W141 PolarHBondContact O-N 3.08Å; E138-W141 VanDerWaalsContact O-N 3.16Å; A139-W141 VanDerWaalsContact C-N 3.31Å; W141-G143 PolarHBondContact O-N 3.29Å
142	A	93.3	Very high	88.7	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-67.1	96.5	-173.2	0	0	0	0	0	113.2	T127 E131 E138	T127-A142 HydrophobicContact CG2-CB 4.15Å; E131-A142 HydrophobicContact CB-CB 4.15Å; E131-A142 WeakPolarHBondContact O-CB 3.4Å; E138-A142 VanDerWaalsContact O-CB 3.29Å; E138-A142 WeakPolarHBondContact O-CB 3.43Å; E138-A142 PolarHBondContact O-N 2.84Å
143	G	93.8	Very high	89.2	Confident	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.			trans	-96.4	-3.4	-179	0	0	0	0	0	114.3	P123 V125 W141 G147 R148 E149	P123-G143 WeakPolarHBondContact O-CA 3.22Å; V125-G143 WeakPolarHBondContact O-CA 3.41Å; V125-G143 PolarHBondContact O-N 3.37Å; W141-G143 PolarHBondContact O-N 3.29Å; G143-G147 CarbonylContact O-C 3.58Å; G143-G147 WeakPolarHBondContact O-CA 3.46Å; G143-R148 PolarHBondContact O-N 3.03Å; G143-E149 WeakPolarHBondContact O-CB 3.24Å; G143-E149 PolarHBondContact O-N 3.3Å
144	G	95.9	Very high	90.2	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.248	C	C	.	.			trans	70.7	-146.7	178.5	0	0	0	0	0	113	T127 V132 W146 G147	T127-G144 PolarHBondContact N-O 3.17Å; T127-G144 CarbonylContact O-C 3.57Å; T127-G144 VanDerWaalsContact O-CA 3.24Å; T127-G144 WeakPolarHBondContact O-CA 3.36Å; T127-G144 WeakPolarHBondContact OG1-CA 3.24Å; T127-G144 PolarHBondContact OG1-N 2.84Å; V132-G144 VanDerWaalsContact CG2-CA 3.4Å; G144-W146 PolarHBondContact O-N 3.27Å; G144-G147 PolarHBondContact O-N 2.94Å
145	R	95.1	Very high	91.3	Very high	170 Å²	170	51.6 Å²	51.6	64%	0.642	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-58.7	122.5	-178.8	-161.3	-167.3	174.9	-175.3	-1.4	110.5	G147 R148 E149	R145-G147 PolarHBondContact O-N 3.35Å; R145-G147 VanDerWaalsContact O-N 3.08Å; R145-R148 PolarHBondContact O-N 2.98Å; R145-E149 HydrophobicContact CB-CG 4.42Å; R145-E149 WeakPolarHBondContact CB-OE1 3.46Å; R145-E149 PolarHBondContact N-OE1 3.44Å
146	W	95.2	Very high	92.6	Very high	159 Å²	159	45.7 Å²	45.7	60%	0.602	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	59.4	9.6	-173.9	-49.2	98.4	0	0	0	114.7	G144 R148 N176	G144-W146 PolarHBondContact O-N 3.27Å; W146-R148 HydrophobicContact CB-CB 4.33Å; W146-R148 HydrophobicContact CB-CG 3.96Å; W146-R148 WeakPolarHBondContact O-CG 3.16Å; W146-R148 PolarHBondContact O-N 3.03Å; W146-N176 PolarHBondContact O-ND2 2.89Å
147	G	96.8	Very high	93.7	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	67.3	23.8	-172.8	0	0	0	0	0	113.3	Y124 G143 G144 R145 M151 N176	Y124-G147 WeakPolarHBondContact O-CA 3.35Å; G143-G147 CarbonylContact O-C 3.58Å; G143-G147 WeakPolarHBondContact O-CA 3.46Å; G144-G147 PolarHBondContact O-N 2.94Å; R145-G147 PolarHBondContact O-N 3.35Å; R145-G147 VanDerWaalsContact O-N 3.08Å; G147-M151 VanDerWaalsContact O-CE 3.27Å; G147-M151 WeakPolarHBondContact O-CE 3.26Å; G147-N176 PolarHBondContact O-ND2 2.97Å
148	R	97.5	Very high	94.6	Very high	13 Å²	13	43.8 Å²	43.8	5%	0.049	20%	0.201	C	C	.	.			trans	-113.7	-14.3	-166.2	-75.9	-81.1	-64.4	-84.4	-11.7	114.8	G143 R145 W146 V150 M151 D152 N176 E180	G143-R148 PolarHBondContact O-N 3.03Å; R145-R148 PolarHBondContact O-N 2.98Å; W146-R148 HydrophobicContact CB-CB 4.33Å; W146-R148 HydrophobicContact CB-CG 3.96Å; W146-R148 WeakPolarHBondContact O-CG 3.16Å; W146-R148 PolarHBondContact O-N 3.03Å; R148-V150 VanDerWaalsContact C-N 3.3Å; R148-V150 PolarHBondContact O-N 3.13Å; R148-M151 VanDerWaalsContact CD-SD 3.54Å; R148-M151 WeakPolarHBondContact O-CG 3.44Å; R148-M151 PolarHBondContact O-N 3.45Å; R148-D152 IonicContact CZ-OD1 3.05Å; R148-D152 IonicContact NE-OD1 2.62Å; R148-D152 PolarHBondContact NE-OD1 2.99Å; R148-D152 IonicContact NE-OD2 2.9Å; R148-D152 IonicContact NH2-OD1 3.93Å; R148-D152 PolarHBondContact NH2-OD1 3.17Å; R148-D152 IonicContact NH2-OD2 3.7Å; R148-D152 VanDerWaalsContact O-CB 3.26Å; R148-D152 WeakPolarHBondContact O-CB 3.03Å; R148-D152 PolarHBondContact O-N 3.32Å; R148-N176 WeakPolarHBondContact CD-O 3.46Å; R148-N176 HydrophobicContact CG-CB 4.29Å; R148-N176 PolarHBondContact NH1-O 3.17Å; R148-E180 IonicContact NH1-OE2 3.66Å
149	E	97.7	Very high	95.3	Very high	59 Å²	59	42.4 Å²	42.4	28%	0.276	20%	0.197	S	C	.	.	H	α-helix	trans	-60.4	-39.2	-167.3	-66.5	-173.4	-148.7	0	0	112.8	S129 V132 G143 R145 R153	S129-E149 VanDerWaalsContact CB-OE1 3.31Å; S129-E149 WeakPolarHBondContact CB-OE1 3.25Å; S129-E149 PolarHBondContact OG-OE1 2.85Å; V132-E149 HydrophobicContact CG2-CB 4.45Å; G143-E149 WeakPolarHBondContact O-CB 3.24Å; G143-E149 PolarHBondContact O-N 3.3Å; R145-E149 HydrophobicContact CB-CG 4.42Å; R145-E149 WeakPolarHBondContact CB-OE1 3.46Å; R145-E149 PolarHBondContact N-OE1 3.44Å; E149-R153 WeakPolarHBondContact O-CG 3.33Å; E149-R153 PolarHBondContact O-N 2.91Å
150	V	97.1	Very high	96	Very high	21 Å²	21	46.9 Å²	46.9	13%	0.127	21%	0.212	C	C	.	.	H	α-helix	trans	-73.7	-45.5	179.3	-178	0	0	0	0	111.7	L103 F120 P123 V132 R148 R153 F154	L103-V150 HydrophobicContact CD2-CG1 4.32Å; F120-V150 HydrophobicContact CZ-CG1 4.14Å; P123-V150 HydrophobicContact CG-CB 3.78Å; P123-V150 HydrophobicContact CG-CG1 3.83Å; P123-V150 HydrophobicContact CG-CG2 3.67Å; V132-V150 HydrophobicContact CG1-CG2 3.71Å; R148-V150 VanDerWaalsContact C-N 3.3Å; R148-V150 PolarHBondContact O-N 3.13Å; V150-R153 WeakPolarHBondContact O-CB 3.16Å; V150-R153 PolarHBondContact O-N 3.4Å; V150-F154 PolarHBondContact O-N 3.27Å
151	M	97.6	Very high	96.6	Very high	0 Å²	0	45 Å²	45	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-71	-35	-179.5	68.3	177.1	87.6	0	0	112.7	F120 P122 G147 R148 R153 F154 F155 L170 N176 I181	F120-M151 HydrophobicContact CE1-CB 4.27Å; P122-M151 HydrophobicContact CB-CB 4.22Å; P122-M151 HydrophobicContact CB-CE 4.28Å; P122-M151 HydrophobicContact CG-CB 4.36Å; P122-M151 HydrophobicContact CG-CE 3.57Å; P122-M151 HydrophobicContact CG-SD 4.45Å; G147-M151 VanDerWaalsContact O-CE 3.27Å; G147-M151 WeakPolarHBondContact O-CE 3.26Å; R148-M151 VanDerWaalsContact CD-SD 3.54Å; R148-M151 WeakPolarHBondContact O-CG 3.44Å; R148-M151 PolarHBondContact O-N 3.45Å; M151-R153 VanDerWaalsContact C-N 3.27Å; M151-R153 PolarHBondContact O-N 3.15Å; M151-F154 WeakPolarHBondContact O-CA 3.43Å; M151-F154 WeakPolarHBondContact O-CB 3.09Å; M151-F154 PolarHBondContact O-N 3.19Å; M151-F155 HydrophobicContact CB-CE1 3.9Å; M151-F155 HydrophobicContact CB-CZ 3.77Å; M151-F155 HydrophobicContact CG-CE1 4.26Å; M151-F155 HydrophobicContact CG-CE2 4.13Å; M151-F155 HydrophobicContact CG-CZ 3.6Å; M151-F155 WeakPolarHBondContact O-CD1 3.29Å; M151-F155 WeakPolarHBondContact O-CE1 3.47Å; M151-F155 VanDerWaalsContact O-CG 3.27Å; M151-F155 WeakPolarHBondContact O-CG 3.25Å; M151-F155 PolarHBondContact O-N 2.92Å; M151-F155 VanDerWaalsContact O-N 3.08Å; M151-F155 HydrophobicContact SD-CZ 3.79Å; M151-L170 HydrophobicContact SD-CD2 4.34Å; M151-N176 HydrophobicContact CE-CB 4.38Å; M151-I181 HydrophobicContact SD-CD1 3.77Å
152	D	98.3	Very high	97.1	Very high	61 Å²	61	40.3 Å²	40.3	33%	0.326	18%	0.179	S	C	.	.	H	α-helix	trans	-63.5	-32.6	176.6	-79.7	-0.8	0	0	0	111.9	R148 F154 F155 P156	R148-D152 IonicContact CZ-OD1 3.05Å; R148-D152 IonicContact NE-OD1 2.62Å; R148-D152 PolarHBondContact NE-OD1 2.99Å; R148-D152 IonicContact NE-OD2 2.9Å; R148-D152 IonicContact NH2-OD1 3.93Å; R148-D152 PolarHBondContact NH2-OD1 3.17Å; R148-D152 IonicContact NH2-OD2 3.7Å; R148-D152 VanDerWaalsContact O-CB 3.26Å; R148-D152 WeakPolarHBondContact O-CB 3.03Å; R148-D152 PolarHBondContact O-N 3.32Å; D152-F154 VanDerWaalsContact C-N 3.3Å; D152-F154 PolarHBondContact O-N 2.77Å; D152-F155 WeakPolarHBondContact OD1-CE2 3.39Å; D152-P156 VanDerWaalsContact O-CD 3.24Å; D152-P156 WeakPolarHBondContact O-CD 3.39Å
153	R	98.1	Very high	97.3	Very high	120 Å²	120	40.7 Å²	40.7	45%	0.453	18%	0.182	S	C	.	.	H	α-helix	trans	-65.9	-31.8	171	-75.5	167.1	34.8	161.2	-2.1	112.9	D102 L103 E149 V150 M151	D102-R153 IonicContact OD1-CZ 2.62Å; D102-R153 IonicContact OD1-NH2 3.87Å; D102-R153 PolarHBondContact OD1-NH2 3.19Å; D102-R153 IonicContact OD2-CZ 3.75Å; D102-R153 IonicContact OD2-NH1 2.76Å; D102-R153 IonicContact OD2-NH2 3.54Å; D102-R153 PolarHBondContact OD2-NH2 3Å; L103-R153 HydrophobicContact CD1-CB 3.95Å; E149-R153 WeakPolarHBondContact O-CG 3.33Å; E149-R153 PolarHBondContact O-N 2.91Å; V150-R153 WeakPolarHBondContact O-CB 3.16Å; V150-R153 PolarHBondContact O-N 3.4Å; M151-R153 VanDerWaalsContact C-N 3.27Å; M151-R153 PolarHBondContact O-N 3.15Å
154	F	98.4	Very high	97.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-80.1	-33	-177.8	-175.2	-124	0	0	0	112.8	V51 L103 V104 I118 F120 V150 M151 D152 L157 L158 L161 F168	V51-F154 HydrophobicContact CG2-CE1 4.31Å; V51-F154 HydrophobicContact CG2-CE2 3.92Å; V51-F154 HydrophobicContact CG2-CZ 3.67Å; L103-F154 HydrophobicContact CB-CD2 4.44Å; L103-F154 HydrophobicContact CD1-CB 4.17Å; L103-F154 HydrophobicContact CD2-CB 4.15Å; L103-F154 HydrophobicContact CD2-CD2 4.35Å; L103-F154 HydrophobicContact CD2-CG 4.47Å; V104-F154 HydrophobicContact CG1-CE2 3.78Å; V104-F154 HydrophobicContact CG2-CE2 4.19Å; I118-F154 HydrophobicContact CG2-CE1 4Å; I118-F154 HydrophobicContact CG2-CZ 3.9Å; F120-F154 HydrophobicContact CD1-CB 4.47Å; F120-F154 AromaticContact CD1-CD1 3.51Å; F120-F154 HydrophobicContact CD1-CD1 3.51Å; F120-F154 HydrophobicContact CD1-CE1 4.03Å; F120-F154 HydrophobicContact CD1-CG 4.21Å; F120-F154 HydrophobicContact CE1-CB 3.91Å; F120-F154 AromaticContact CE1-CD1 3.8Å; F120-F154 HydrophobicContact CE1-CD1 3.8Å; F120-F154 HydrophobicContact CE1-CG 4.02Å; F120-F154 HydrophobicContact CG-CD1 4.48Å; V150-F154 PolarHBondContact O-N 3.27Å; M151-F154 WeakPolarHBondContact O-CA 3.43Å; M151-F154 WeakPolarHBondContact O-CB 3.09Å; M151-F154 PolarHBondContact O-N 3.19Å; D152-F154 VanDerWaalsContact C-N 3.3Å; D152-F154 PolarHBondContact O-N 2.77Å; F154-L157 HydrophobicContact CD2-CB 4.36Å; F154-L157 HydrophobicContact CD2-CD1 4.24Å; F154-L157 HydrophobicContact CE2-CB 4.49Å; F154-L157 WeakPolarHBondContact O-CA 3.27Å; F154-L157 VanDerWaalsContact O-CB 3.3Å; F154-L157 WeakPolarHBondContact O-CB 3.39Å; F154-L157 PolarHBondContact O-N 3.01Å; F154-L158 HydrophobicContact CD1-CD2 4.09Å; F154-L158 HydrophobicContact CD1-CG 4.33Å; F154-L158 HydrophobicContact CE1-CD2 3.44Å; F154-L158 VanDerWaalsContact CE1-CD2 3.44Å; F154-L158 HydrophobicContact CE1-CG 4.14Å; F154-L158 HydrophobicContact CZ-CD2 3.85Å; F154-L161 HydrophobicContact CE2-CD1 3.78Å; F154-L161 HydrophobicContact CZ-CD1 3.96Å; F154-F168 HydrophobicContact CD1-CZ 4.41Å; F154-F168 AromaticContact CE1-CE2 4Å; F154-F168 HydrophobicContact CE1-CE2 4Å; F154-F168 HydrophobicContact CE1-CZ 4.26Å
155	F	98.3	Very high	97.4	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53.6	-42.4	-174.5	-62.3	-21.2	0	0	0	115.4	M151 D152 L157 L158 P159 L170 I181 L184 L185 F188	M151-F155 HydrophobicContact CB-CE1 3.9Å; M151-F155 HydrophobicContact CB-CZ 3.77Å; M151-F155 HydrophobicContact CG-CE1 4.26Å; M151-F155 HydrophobicContact CG-CE2 4.13Å; M151-F155 HydrophobicContact CG-CZ 3.6Å; M151-F155 WeakPolarHBondContact O-CD1 3.29Å; M151-F155 WeakPolarHBondContact O-CE1 3.47Å; M151-F155 VanDerWaalsContact O-CG 3.27Å; M151-F155 WeakPolarHBondContact O-CG 3.25Å; M151-F155 PolarHBondContact O-N 2.92Å; M151-F155 VanDerWaalsContact O-N 3.08Å; M151-F155 HydrophobicContact SD-CZ 3.79Å; D152-F155 WeakPolarHBondContact OD1-CE2 3.39Å; F155-L157 PolarHBondContact O-N 3Å; F155-L157 VanDerWaalsContact O-N 3.13Å; F155-L158 HydrophobicContact CD1-CD1 3.99Å; F155-L158 PolarHBondContact O-N 3.46Å; F155-P159 WeakPolarHBondContact O-CD 3Å; F155-L170 HydrophobicContact CE1-CD2 3.84Å; F155-L170 HydrophobicContact CZ-CD2 3.94Å; F155-I181 HydrophobicContact CE2-CG1 4.48Å; F155-I181 HydrophobicContact CE2-CG2 4.11Å; F155-I181 HydrophobicContact CZ-CG1 4.46Å; F155-I181 HydrophobicContact CZ-CG2 3.78Å; F155-L184 HydrophobicContact CD2-CD2 3.72Å; F155-L184 HydrophobicContact CE2-CD2 4.12Å; F155-L185 HydrophobicContact CB-CD2 3.64Å; F155-L185 HydrophobicContact CD1-CD1 4.46Å; F155-L185 HydrophobicContact CD1-CD2 3.82Å; F155-L185 HydrophobicContact CD2-CD2 4.19Å; F155-L185 HydrophobicContact CE1-CD1 4.46Å; F155-L185 HydrophobicContact CG-CD2 3.62Å; F155-L185 HydrophobicContact CG-CG 4.48Å; F155-F188 HydrophobicContact CB-CD2 4.41Å; F155-F188 HydrophobicContact CB-CE2 4.13Å
156	P	97.9	Very high	97.5	Very high	58 Å²	58	44.6 Å²	44.6	38%	0.377	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-64.3	-15.1	176	-22.2	34	0	0	0	114.8	D152 F188	D152-P156 VanDerWaalsContact O-CD 3.24Å; D152-P156 WeakPolarHBondContact O-CD 3.39Å; P156-F188 HydrophobicContact CB-CE1 4.08Å; P156-F188 HydrophobicContact CB-CZ 4.25Å; P156-F188 HydrophobicContact CG-CE1 4.24Å; P156-F188 HydrophobicContact CG-CZ 3.9Å
157	L	98.3	Very high	97.7	Very high	30 Å²	30	37.6 Å²	37.6	16%	0.157	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-89.4	-24.2	-179.8	-51.4	-179.2	0	0	0	112.2	V104 L108 F154 F155 K160 L161	V104-L157 HydrophobicContact CG2-CB 4.38Å; V104-L157 HydrophobicContact CG2-CD1 3.53Å; L108-L157 HydrophobicContact CD1-CD2 4.3Å; F154-L157 HydrophobicContact CD2-CB 4.36Å; F154-L157 HydrophobicContact CD2-CD1 4.24Å; F154-L157 HydrophobicContact CE2-CB 4.49Å; F154-L157 WeakPolarHBondContact O-CA 3.27Å; F154-L157 VanDerWaalsContact O-CB 3.3Å; F154-L157 WeakPolarHBondContact O-CB 3.39Å; F154-L157 PolarHBondContact O-N 3.01Å; F155-L157 PolarHBondContact O-N 3Å; F155-L157 VanDerWaalsContact O-N 3.13Å; L157-K160 WeakPolarHBondContact O-CA 3.13Å; L157-K160 WeakPolarHBondContact O-CB 3.26Å; L157-K160 PolarHBondContact O-N 3.17Å; L157-L161 HydrophobicContact CB-CD1 4.38Å; L157-L161 PolarHBondContact O-N 2.95Å; L157-L161 VanDerWaalsContact O-N 3.08Å
158	L	98.3	Very high	97.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-54.6	-46	-178.8	-67.4	167.6	0	0	0	113.5	I118 F154 F155 K160 L161 L162 F168 L185 L190	I118-L158 HydrophobicContact CD1-CD2 4Å; I118-L158 HydrophobicContact CG2-CD2 4.39Å; F154-L158 HydrophobicContact CD1-CD2 4.09Å; F154-L158 HydrophobicContact CD1-CG 4.33Å; F154-L158 HydrophobicContact CE1-CD2 3.44Å; F154-L158 VanDerWaalsContact CE1-CD2 3.44Å; F154-L158 HydrophobicContact CE1-CG 4.14Å; F154-L158 HydrophobicContact CZ-CD2 3.85Å; F155-L158 HydrophobicContact CD1-CD1 3.99Å; F155-L158 PolarHBondContact O-N 3.46Å; L158-K160 PolarHBondContact O-N 3.17Å; L158-L161 PolarHBondContact O-N 3.16Å; L158-L161 VanDerWaalsContact O-N 3.17Å; L158-L162 HydrophobicContact CB-CD1 4.37Å; L158-L162 PolarHBondContact O-N 2.91Å; L158-F168 HydrophobicContact CD1-CD1 3.64Å; L158-F168 HydrophobicContact CD1-CE1 3.46Å; L158-F168 VanDerWaalsContact CD1-CE1 3.46Å; L158-F168 HydrophobicContact CD1-CG 4.4Å; L158-F168 HydrophobicContact CD1-CZ 4.07Å; L158-F168 HydrophobicContact CD2-CB 4.4Å; L158-F168 HydrophobicContact CD2-CD1 3.89Å; L158-F168 HydrophobicContact CD2-CD2 3.88Å; L158-F168 HydrophobicContact CD2-CE1 4.04Å; L158-F168 HydrophobicContact CD2-CE2 4.04Å; L158-F168 HydrophobicContact CD2-CG 3.79Å; L158-F168 HydrophobicContact CD2-CZ 4.09Å; L158-F168 HydrophobicContact CG-CD1 4.43Å; L158-F168 HydrophobicContact CG-CE1 4.4Å; L158-L185 HydrophobicContact CD1-CD1 4.3Å; L158-L185 HydrophobicContact CD1-CD2 3.74Å; L158-L190 HydrophobicContact CB-CD1 3.73Å; L158-L190 HydrophobicContact CD1-CD1 3.86Å; L158-L190 HydrophobicContact CG-CD1 4.43Å
159	P	96.9	Very high	97.8	Very high	36 Å²	36	37 Å²	37	23%	0.234	18%	0.184	C	C	.	.	H	α-helix	trans	-70.7	-12.3	179	-17.4	33.4	0	0	0	113.3	F155 F188 R212	F155-P159 WeakPolarHBondContact O-CD 3Å; P159-F188 HydrophobicContact CG-CB 3.69Å; P159-F188 HydrophobicContact CG-CD1 4.34Å; P159-F188 HydrophobicContact CG-CG 4.38Å; P159-F188 WeakPolarHBondContact CG-O 3.43Å; P159-R212 PolarHBondContact O-NH1 3.25Å; P159-R212 PolarHBondContact O-NH2 3Å
160	K	97.5	Very high	97.9	Very high	118 Å²	118	34.1 Å²	34.1	51%	0.513	17%	0.171	S	C	.	.	H	α-helix	trans	-86.4	-36.9	172.4	-59.9	177.7	-176.7	173.7	0	110.5	L108 C112 G113 L157 L158	L108-K160 HydrophobicContact CD2-CB 4.47Å; C112-K160 CarbonylContact C-O 3.44Å; C112-K160 WeakPolarHBondContact CA-O 3.38Å; G113-K160 PolarHBondContact N-O 3.26Å; L157-K160 WeakPolarHBondContact O-CA 3.13Å; L157-K160 WeakPolarHBondContact O-CB 3.26Å; L157-K160 PolarHBondContact O-N 3.17Å; L158-K160 PolarHBondContact O-N 3.17Å
161	L	98.4	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-81.4	-49.2	-175.2	-69	165	0	0	0	113.7	V104 L108 L111 G113 K114 V115 I118 F154 L157 L158 S163	V104-L161 HydrophobicContact CG1-CD1 4.13Å; V104-L161 HydrophobicContact CG2-CD1 4.11Å; L108-L161 HydrophobicContact CD2-CD2 3.63Å; L108-L161 HydrophobicContact CD2-CG 4.26Å; L108-L161 HydrophobicContact CG-CD2 4.08Å; L111-L161 HydrophobicContact CB-CD2 4.2Å; G113-L161 CarbonylContact C-O 3.6Å; G113-L161 PolarHBondContact N-O 2.96Å; K114-L161 PolarHBondContact N-O 3.13Å; K114-L161 VanDerWaalsContact N-O 3.13Å; V115-L161 HydrophobicContact CG2-CB 4.24Å; V115-L161 HydrophobicContact CG2-CD2 4.29Å; V115-L161 PolarHBondContact N-O 3.08Å; I118-L161 HydrophobicContact CD1-CB 3.72Å; I118-L161 HydrophobicContact CD1-CD1 4.1Å; F154-L161 HydrophobicContact CE2-CD1 3.78Å; F154-L161 HydrophobicContact CZ-CD1 3.96Å; L157-L161 HydrophobicContact CB-CD1 4.38Å; L157-L161 PolarHBondContact O-N 2.95Å; L157-L161 VanDerWaalsContact O-N 3.08Å; L158-L161 PolarHBondContact O-N 3.16Å; L158-L161 VanDerWaalsContact O-N 3.17Å; L161-S163 PolarHBondContact O-N 3.2Å
162	L	98.4	Very high	98	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	135.3	-167.9	-76.4	167.4	0	0	0	111.8	G113 V115 I118 L158 F168 L190 R212	G113-L162 WeakPolarHBondContact CA-O 3.4Å; V115-L162 CarbonylContact O-C 3.49Å; V115-L162 WeakPolarHBondContact O-CA 3.48Å; I118-L162 HydrophobicContact CB-CD2 4.45Å; I118-L162 HydrophobicContact CD1-CD2 3.56Å; I118-L162 HydrophobicContact CD1-CG 3.71Å; I118-L162 HydrophobicContact CG1-CD2 3.82Å; L158-L162 HydrophobicContact CB-CD1 4.37Å; L158-L162 PolarHBondContact O-N 2.91Å; L162-F168 HydrophobicContact CD1-CB 4.28Å; L162-F168 HydrophobicContact CD2-CB 4.33Å; L162-L190 HydrophobicContact CD1-CD1 4.19Å; L162-L190 HydrophobicContact CD1-CD2 3.55Å; L162-R212 PolarHBondContact O-NE 2.81Å; L162-R212 VanDerWaalsContact O-NE 3.12Å; L162-R212 PolarHBondContact O-NH2 3.26Å
163	S	98.1	Very high	97.9	Very high	9 Å²	9	30.5 Å²	30.5	6%	0.063	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	176.9	167.8	81.1	0	0	0	0	111.1	G113 V115 D116 L161 Q165 G166 R212	G113-S163 WeakPolarHBondContact O-CA 3.43Å; G113-S163 WeakPolarHBondContact O-CB 3.4Å; V115-S163 PolarHBondContact O-N 2.94Å; D116-S163 VanDerWaalsContact OD1-CB 3.27Å; D116-S163 WeakPolarHBondContact OD1-CB 3.33Å; D116-S163 PolarHBondContact OD1-OG 2.81Å; L161-S163 PolarHBondContact O-N 3.2Å; S163-Q165 PolarHBondContact O-N 3.24Å; S163-Q165 WeakPolarHBondContact OG-CG 3.3Å; S163-Q165 PolarHBondContact OG-N 3.15Å; S163-G166 PolarHBondContact O-N 2.84Å; S163-G166 VanDerWaalsContact O-N 3.13Å; S163-G166 PolarHBondContact OG-N 2.9Å; S163-R212 WeakPolarHBondContact O-CD 3.4Å; S163-R212 PolarHBondContact O-NE 3.19Å; S163-R212 VanDerWaalsContact O-NE 3.15Å
164	N	96.1	Very high	97.8	Very high	159 Å²	159	27.5 Å²	27.5	85%	0.85	15%	0.152	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	-25.6	176.9	-71	-17.7	0	0	0	113.1
165	Q	95.5	Very high	97.7	Very high	92 Å²	92	32.1 Å²	32.1	43%	0.43	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	8.2	175.6	62.7	177.2	37.9	0	0	112.5	I43 D116 S163	I43-Q165 PolarHBondContact O-NE2 3.22Å; D116-Q165 WeakPolarHBondContact OD1-CG 3.47Å; D116-Q165 PolarHBondContact OD1-NE2 3.26Å; S163-Q165 PolarHBondContact O-N 3.24Å; S163-Q165 WeakPolarHBondContact OG-CG 3.3Å; S163-Q165 PolarHBondContact OG-N 3.15Å
166	G	97.6	Very high	97.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	135.8	-168.5	0	0	0	0	0	113.4	D116 S163	D116-G166 CarbonylContact O-C 3.58Å; D116-G166 VanDerWaalsContact O-CA 3.27Å; D116-G166 WeakPolarHBondContact O-CA 3.22Å; S163-G166 PolarHBondContact O-N 2.84Å; S163-G166 VanDerWaalsContact O-N 3.13Å; S163-G166 PolarHBondContact OG-N 2.9Å
167	L	98.6	Very high	97.6	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.063	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.4	169.9	-60.7	178.9	0	0	0	110	R39 L40 I43 D116 V117 I118 Y169 F210 H211	R39-L167 HydrophobicContact CG-CD1 4.27Å; L40-L167 HydrophobicContact CD2-CD1 4.14Å; I43-L167 HydrophobicContact CD1-CD1 3.91Å; I43-L167 HydrophobicContact CD1-CG 4.22Å; D116-L167 PolarHBondContact O-N 3.22Å; V117-L167 CarbonylContact C-O 3.52Å; V117-L167 WeakPolarHBondContact CA-O 3.26Å; I118-L167 PolarHBondContact N-O 2.83Å; L167-Y169 HydrophobicContact CB-CD2 4.45Å; L167-Y169 HydrophobicContact CB-CE2 3.73Å; L167-Y169 HydrophobicContact CD1-CE2 4.28Å; L167-F210 CarbonylContact C-O 3.4Å; L167-F210 WeakPolarHBondContact CA-O 3.38Å; L167-H211 HydrophobicContact CD2-CB 3.97Å
168	F	98.8	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	126.7	172.7	166.8	-128.4	0	0	0	110	I118 F120 F154 L158 L162 L170 L185 R209 F210	I118-F168 HydrophobicContact CB-CB 4.34Å; I118-F168 HydrophobicContact CB-CD2 3.83Å; I118-F168 HydrophobicContact CG2-CD2 3.61Å; I118-F168 HydrophobicContact CG2-CE2 4.01Å; I118-F168 CarbonylContact O-C 3.57Å; I118-F168 WeakPolarHBondContact O-CA 3.36Å; F120-F168 HydrophobicContact CB-CE2 3.82Å; F120-F168 HydrophobicContact CB-CZ 4.36Å; F154-F168 HydrophobicContact CD1-CZ 4.41Å; F154-F168 AromaticContact CE1-CE2 4Å; F154-F168 HydrophobicContact CE1-CE2 4Å; F154-F168 HydrophobicContact CE1-CZ 4.26Å; L158-F168 HydrophobicContact CD1-CD1 3.64Å; L158-F168 HydrophobicContact CD1-CE1 3.46Å; L158-F168 VanDerWaalsContact CD1-CE1 3.46Å; L158-F168 HydrophobicContact CD1-CG 4.4Å; L158-F168 HydrophobicContact CD1-CZ 4.07Å; L158-F168 HydrophobicContact CD2-CB 4.4Å; L158-F168 HydrophobicContact CD2-CD1 3.89Å; L158-F168 HydrophobicContact CD2-CD2 3.88Å; L158-F168 HydrophobicContact CD2-CE1 4.04Å; L158-F168 HydrophobicContact CD2-CE2 4.04Å; L158-F168 HydrophobicContact CD2-CG 3.79Å; L158-F168 HydrophobicContact CD2-CZ 4.09Å; L158-F168 HydrophobicContact CG-CD1 4.43Å; L158-F168 HydrophobicContact CG-CE1 4.4Å; L162-F168 HydrophobicContact CD1-CB 4.28Å; L162-F168 HydrophobicContact CD2-CB 4.33Å; F168-L170 HydrophobicContact CE1-CB 3.88Å; F168-L170 HydrophobicContact CE1-CD2 4.24Å; F168-L170 HydrophobicContact CE2-CB 4.22Å; F168-L170 HydrophobicContact CZ-CB 3.64Å; F168-L170 HydrophobicContact CZ-CD1 3.95Å; F168-L170 HydrophobicContact CZ-CD2 4.25Å; F168-L170 HydrophobicContact CZ-CG 4.15Å; F168-L185 HydrophobicContact CD1-CD1 4.42Å; F168-L185 HydrophobicContact CE1-CD1 4.08Å; F168-R209 CarbonylContact O-C 3.53Å; F168-R209 WeakPolarHBondContact O-CA 3.3Å; F168-F210 HydrophobicContact CB-CB 4.22Å; F168-F210 HydrophobicContact CD1-CB 4.11Å; F168-F210 AromaticContact CD1-CD2 3.55Å; F168-F210 HydrophobicContact CD1-CD2 3.55Å; F168-F210 HydrophobicContact CD1-CE2 4.35Å; F168-F210 HydrophobicContact CD1-CG 4.11Å; F168-F210 AromaticContact CE1-CD2 3.99Å; F168-F210 HydrophobicContact CE1-CD2 3.99Å; F168-F210 HydrophobicContact CE1-CE2 4.36Å; F168-F210 HydrophobicContact CG-CD2 4.47Å; F168-F210 PolarHBondContact N-O 3.28Å; F168-F210 PolarHBondContact O-N 3.43Å
169	Y	98.9	Very high	97.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.8	176.7	-63.1	-102.3	0	0	0	109.4	L33 D36 L40 V117 I118 L119 F120 L167 V207 L208 R209	L33-Y169 HydrophobicContact CD2-CD1 4.17Å; L33-Y169 HydrophobicContact CD2-CD2 4.21Å; L33-Y169 HydrophobicContact CD2-CE1 4.12Å; L33-Y169 HydrophobicContact CD2-CE2 4.18Å; L33-Y169 HydrophobicContact CD2-CG 4.22Å; D36-Y169 WeakPolarHBondContact OD2-CE1 3.36Å; D36-Y169 PolarHBondContact OD2-OH 2.83Å; L40-Y169 HydrophobicContact CD2-CE2 4.21Å; V117-Y169 HydrophobicContact CG1-CD2 4.31Å; V117-Y169 HydrophobicContact CG1-CE2 4.27Å; I118-Y169 PolarHBondContact O-N 2.88Å; L119-Y169 HydrophobicContact CD2-CD2 3.8Å; L119-Y169 HydrophobicContact CD2-CG 4.07Å; F120-Y169 PolarHBondContact N-O 3.2Å; L167-Y169 HydrophobicContact CB-CD2 4.45Å; L167-Y169 HydrophobicContact CB-CE2 3.73Å; L167-Y169 HydrophobicContact CD1-CE2 4.28Å; Y169-V207 HydrophobicContact CD1-CG1 4.16Å; Y169-L208 WeakPolarHBondContact CA-O 3Å; Y169-R209 HydrophobicContact CD1-CB 4.23Å; Y169-R209 HydrophobicContact CD1-CG 4.16Å; Y169-R209 HydrophobicContact CE1-CB 4.16Å; Y169-R209 HydrophobicContact CE1-CG 3.75Å; Y169-R209 HydrophobicContact CE2-CG 4.39Å; Y169-R209 WeakPolarHBondContact OH-CD 3.4Å
170	L	98.9	Very high	97.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	125.3	-177	178.3	64.6	0	0	0	110.2	F120 P122 M151 F155 F168 T172 I181 V207 L208 F210	F120-L170 HydrophobicContact CB-CD1 4.23Å; F120-L170 HydrophobicContact CD1-CD1 4.17Å; F120-L170 HydrophobicContact CG-CD1 4.42Å; F120-L170 WeakPolarHBondContact O-CA 3.34Å; P122-L170 HydrophobicContact CG-CD1 3.83Å; M151-L170 HydrophobicContact SD-CD2 4.34Å; F155-L170 HydrophobicContact CE1-CD2 3.84Å; F155-L170 HydrophobicContact CZ-CD2 3.94Å; F168-L170 HydrophobicContact CE1-CB 3.88Å; F168-L170 HydrophobicContact CE1-CD2 4.24Å; F168-L170 HydrophobicContact CE2-CB 4.22Å; F168-L170 HydrophobicContact CZ-CB 3.64Å; F168-L170 HydrophobicContact CZ-CD1 3.95Å; F168-L170 HydrophobicContact CZ-CD2 4.25Å; F168-L170 HydrophobicContact CZ-CG 4.15Å; L170-T172 HydrophobicContact CD2-CG2 3.92Å; L170-T172 HydrophobicContact CG-CG2 3.89Å; L170-I181 HydrophobicContact CD2-CD1 4.45Å; L170-I181 HydrophobicContact CD2-CG2 3.9Å; L170-V207 CarbonylContact O-C 3.07Å; L170-V207 WeakPolarHBondContact O-CA 3.48Å; L170-L208 HydrophobicContact CB-CB 4.45Å; L170-L208 PolarHBondContact N-O 2.91Å; L170-L208 PolarHBondContact O-N 2.92Å; L170-F210 HydrophobicContact CB-CE2 4.42Å
171	V	98.6	Very high	97.6	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	138.9	168.8	-176.5	0	0	0	0	109.7	D25 L29 F120 N121 P122 Y124 L205 V207	D25-V171 HydrophobicContact CB-CG1 4.17Å; L29-V171 HydrophobicContact CB-CG2 3.94Å; L29-V171 HydrophobicContact CD1-CG2 4.37Å; L29-V171 HydrophobicContact CD2-CG2 4Å; L29-V171 HydrophobicContact CG-CG2 4.33Å; F120-V171 PolarHBondContact O-N 2.96Å; F120-V171 VanDerWaalsContact O-N 3.08Å; N121-V171 HydrophobicContact CB-CB 4.35Å; N121-V171 HydrophobicContact CB-CG2 3.94Å; N121-V171 VanDerWaalsContact OD1-CB 3.25Å; N121-V171 WeakPolarHBondContact OD1-CB 3.33Å; N121-V171 WeakPolarHBondContact OD1-CG1 3.33Å; P122-V171 WeakPolarHBondContact CD-O 3.49Å; Y124-V171 HydrophobicContact CD1-CG1 4.38Å; Y124-V171 HydrophobicContact CE1-CG1 4.17Å; V171-L205 HydrophobicContact CG1-CD2 4.3Å; V171-V207 HydrophobicContact CG2-CG2 4.35Å
172	T	98.1	Very high	97.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.7	179	56	0	0	0	0	110.7	L170 N176 I181 L205 S206 L208	L170-T172 HydrophobicContact CD2-CG2 3.92Å; L170-T172 HydrophobicContact CG-CG2 3.89Å; T172-N176 WeakPolarHBondContact CA-OD1 3.21Å; T172-I181 HydrophobicContact CG2-CD1 3.6Å; T172-L205 CarbonylContact O-C 3.55Å; T172-L205 WeakPolarHBondContact O-CA 3.44Å; T172-S206 PolarHBondContact N-O 3.28Å; T172-S206 PolarHBondContact O-N 3.46Å; T172-S206 PolarHBondContact OG1-O 2.82Å; T172-S206 VanDerWaalsContact OG1-O 3.06Å; T172-L208 HydrophobicContact CG2-CD1 4Å; T172-L208 HydrophobicContact CG2-CG 4.35Å
173	V	96.8	Very high	97.5	Very high	6 Å²	6	40 Å²	40	4%	0.036	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	168	163.3	-66	0	0	0	0	110.8	Y124 E175 N176 S204 L205	Y124-V173 HydrophobicContact CD2-CB 4.46Å; Y124-V173 HydrophobicContact CD2-CG1 3.65Å; Y124-V173 HydrophobicContact CD2-CG2 3.99Å; Y124-V173 HydrophobicContact CE2-CG1 3.65Å; Y124-V173 HydrophobicContact CG-CG1 4.45Å; V173-E175 WeakPolarHBondContact CB-OE2 3.45Å; V173-E175 HydrophobicContact CG2-CB 4.09Å; V173-E175 WeakPolarHBondContact CG2-OE2 3.26Å; V173-E175 PolarHBondContact O-N 3.4Å; V173-N176 VanDerWaalsContact CG2-OD1 3.3Å; V173-N176 WeakPolarHBondContact CG2-OD1 3.32Å; V173-N176 PolarHBondContact N-OD1 2.84Å; V173-N176 WeakPolarHBondContact O-CB 3.4Å; V173-N176 PolarHBondContact O-N 2.62Å; V173-S204 WeakPolarHBondContact CA-O 3.36Å; V173-L205 HydrophobicContact CG1-CD2 3.52Å; V173-L205 HydrophobicContact CG1-CG 4.36Å
174	A	95.4	Very high	97.4	Very high	56 Å²	56	41.6 Å²	41.6	46%	0.463	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-56.7	-37.3	179.3	0	0	0	0	0	112.7	N176 N177 S204	A174-N176 PolarHBondContact O-N 3.05Å; A174-N177 PolarHBondContact O-N 2.94Å; A174-S204 PolarHBondContact N-O 2.86Å
175	E	96.3	Very high	97.5	Very high	97 Å²	97	34 Å²	34	45%	0.453	18%	0.176	S	C	.	.	G	3₁₀ helix	trans	-61.8	-25.8	179	-67.2	76.4	-174.2	0	0	112.6	V126 V173 N177	V126-E175 HydrophobicContact CG2-CB 3.86Å; V126-E175 HydrophobicContact CG2-CG 4.31Å; V173-E175 WeakPolarHBondContact CB-OE2 3.45Å; V173-E175 HydrophobicContact CG2-CB 4.09Å; V173-E175 WeakPolarHBondContact CG2-OE2 3.26Å; V173-E175 PolarHBondContact O-N 3.4Å; E175-N177 PolarHBondContact O-N 3.17Å
176	N	97.3	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-77.4	-7.2	176.7	-51.5	145.3	0	0	0	112.9	Y124 W146 G147 R148 M151 T172 V173 A174 I181	Y124-N176 WeakPolarHBondContact CB-OD1 3.35Å; Y124-N176 PolarHBondContact O-ND2 3.08Å; W146-N176 PolarHBondContact O-ND2 2.89Å; G147-N176 PolarHBondContact O-ND2 2.97Å; R148-N176 WeakPolarHBondContact CD-O 3.46Å; R148-N176 HydrophobicContact CG-CB 4.29Å; R148-N176 PolarHBondContact NH1-O 3.17Å; M151-N176 HydrophobicContact CE-CB 4.38Å; T172-N176 WeakPolarHBondContact CA-OD1 3.21Å; V173-N176 VanDerWaalsContact CG2-OD1 3.3Å; V173-N176 WeakPolarHBondContact CG2-OD1 3.32Å; V173-N176 PolarHBondContact N-OD1 2.84Å; V173-N176 WeakPolarHBondContact O-CB 3.4Å; V173-N176 PolarHBondContact O-N 2.62Å; A174-N176 PolarHBondContact O-N 3.05Å; N176-I181 HydrophobicContact CB-CD1 4.12Å
177	N	97.1	Very high	97.5	Very high	66 Å²	66	44.6 Å²	44.6	35%	0.353	22%	0.217	S	C	.	.			trans	55.2	71.2	-176.2	-166.2	-6.3	0	0	0	113.1	A174 E175 E179 E180 I181	A174-N177 PolarHBondContact O-N 2.94Å; E175-N177 PolarHBondContact O-N 3.17Å; N177-E179 PolarHBondContact O-N 3.47Å; N177-E180 HydrophobicContact CB-CB 4.02Å; N177-E180 VanDerWaalsContact ND2-CB 3.35Å; N177-E180 WeakPolarHBondContact ND2-CB 3.44Å; N177-E180 PolarHBondContact ND2-OE2 2.82Å; N177-E180 WeakPolarHBondContact O-CB 3.46Å; N177-E180 PolarHBondContact O-N 2.88Å; N177-E180 PolarHBondContact OD1-N 2.86Å; N177-I181 PolarHBondContact O-N 3.06Å
178	P	97.2	Very high	97.4	Very high	9 Å²	9	47.3 Å²	47.3	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-55.7	-32.2	-177.3	-25.9	35.8	0	0	0	114.6	I181 T182 L208	P178-I181 PolarHBondContact O-N 2.86Å; P178-T182 WeakPolarHBondContact O-CB 3.41Å; P178-T182 PolarHBondContact O-N 3.13Å; P178-T182 PolarHBondContact O-OG1 3.08Å; P178-L208 HydrophobicContact CB-CD1 4.02Å; P178-L208 HydrophobicContact CB-CD2 4.12Å
179	E	96.9	Very high	97.3	Very high	125 Å²	125	48.9 Å²	48.9	58%	0.584	24%	0.244	S	C	*	.	H	α-helix	trans	-63.9	-44.9	175	-68.7	72.5	-161.8	0	0	111.2	N177 T182 I183	N177-E179 PolarHBondContact O-N 3.47Å; E179-T182 WeakPolarHBondContact O-CB 3.38Å; E179-T182 PolarHBondContact O-N 3.22Å; E179-I183 WeakPolarHBondContact O-CG1 3.48Å; E179-I183 PolarHBondContact O-N 3.21Å
180	E	97.6	Very high	97.3	Very high	100 Å²	100	48.9 Å²	48.9	47%	0.467	24%	0.244	S	C	.	.	H	α-helix	trans	-65.9	-41.6	175.5	-179.1	-179	-166.4	0	0	111.9	R148 N177 T182 I183 L184	R148-E180 IonicContact NH1-OE2 3.66Å; N177-E180 HydrophobicContact CB-CB 4.02Å; N177-E180 VanDerWaalsContact ND2-CB 3.35Å; N177-E180 WeakPolarHBondContact ND2-CB 3.44Å; N177-E180 PolarHBondContact ND2-OE2 2.82Å; N177-E180 WeakPolarHBondContact O-CB 3.46Å; N177-E180 PolarHBondContact O-N 2.88Å; N177-E180 PolarHBondContact OD1-N 2.86Å; E180-T182 PolarHBondContact O-N 3.04Å; E180-I183 PolarHBondContact O-N 3.19Å; E180-I183 VanDerWaalsContact O-N 3.15Å; E180-L184 WeakPolarHBondContact O-CB 3.46Å; E180-L184 PolarHBondContact O-N 2.9Å
181	I	98.2	Very high	97.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-55.2	-45.7	173.1	-65.6	172.4	0	0	0	109.9	M151 F155 L170 T172 N176 N177 P178 I183 L184 L185 L208 F210	M151-I181 HydrophobicContact SD-CD1 3.77Å; F155-I181 HydrophobicContact CE2-CG1 4.48Å; F155-I181 HydrophobicContact CE2-CG2 4.11Å; F155-I181 HydrophobicContact CZ-CG1 4.46Å; F155-I181 HydrophobicContact CZ-CG2 3.78Å; L170-I181 HydrophobicContact CD2-CD1 4.45Å; L170-I181 HydrophobicContact CD2-CG2 3.9Å; T172-I181 HydrophobicContact CG2-CD1 3.6Å; N176-I181 HydrophobicContact CB-CD1 4.12Å; N177-I181 PolarHBondContact O-N 3.06Å; P178-I181 PolarHBondContact O-N 2.86Å; I181-I183 VanDerWaalsContact C-N 3.34Å; I181-I183 PolarHBondContact O-N 2.82Å; I181-L184 PolarHBondContact O-N 3.37Å; I181-L185 HydrophobicContact CG2-CD1 3.97Å; I181-L185 HydrophobicContact CG2-CG 4.31Å; I181-L185 WeakPolarHBondContact O-CG 3.48Å; I181-L185 PolarHBondContact O-N 3.31Å; I181-L208 HydrophobicContact CB-CD1 4.37Å; I181-L208 HydrophobicContact CG2-CD1 4.14Å; I181-F210 HydrophobicContact CG2-CZ 4.25Å
182	T	97.8	Very high	97.1	Very high	12 Å²	12	54 Å²	54	7%	0.074	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-41.8	179.3	-59.7	0	0	0	0	111.7	P178 E179 E180 R186 G192 F210	P178-T182 WeakPolarHBondContact O-CB 3.41Å; P178-T182 PolarHBondContact O-N 3.13Å; P178-T182 PolarHBondContact O-OG1 3.08Å; E179-T182 WeakPolarHBondContact O-CB 3.38Å; E179-T182 PolarHBondContact O-N 3.22Å; E180-T182 PolarHBondContact O-N 3.04Å; T182-R186 WeakPolarHBondContact O-CG 3.24Å; T182-R186 PolarHBondContact O-N 2.87Å; T182-G192 VanDerWaalsContact CG2-O 3.3Å; T182-G192 WeakPolarHBondContact CG2-O 3.45Å; T182-F210 HydrophobicContact CG2-CE1 4.34Å
183	I	97.3	Very high	97	Very high	98 Å²	98	56.6 Å²	56.6	50%	0.503	29%	0.293	S	S	.	.	H	α-helix	trans	-65.8	-40.4	175.5	-67.9	164.5	0	0	0	111.1	E179 E180 I181 R186	E179-I183 WeakPolarHBondContact O-CG1 3.48Å; E179-I183 PolarHBondContact O-N 3.21Å; E180-I183 PolarHBondContact O-N 3.19Å; E180-I183 VanDerWaalsContact O-N 3.15Å; I181-I183 VanDerWaalsContact C-N 3.34Å; I181-I183 PolarHBondContact O-N 2.82Å; I183-R186 PolarHBondContact O-N 3.24Å
184	L	97.3	Very high	97.1	Very high	42 Å²	42	59.7 Å²	59.7	22%	0.22	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-48.4	178.9	177.9	59.9	0	0	0	111.3	F155 E180 I181 R186 K187 F188	F155-L184 HydrophobicContact CD2-CD2 3.72Å; F155-L184 HydrophobicContact CE2-CD2 4.12Å; E180-L184 WeakPolarHBondContact O-CB 3.46Å; E180-L184 PolarHBondContact O-N 2.9Å; I181-L184 PolarHBondContact O-N 3.37Å; L184-R186 PolarHBondContact O-N 3.36Å; L184-K187 HydrophobicContact CD1-CD 4.42Å; L184-K187 VanDerWaalsContact O-CB 3.26Å; L184-K187 WeakPolarHBondContact O-CB 3.35Å; L184-K187 PolarHBondContact O-N 2.93Å; L184-F188 HydrophobicContact CD1-CE2 4Å; L184-F188 HydrophobicContact CG-CE2 4.11Å
185	L	97.8	Very high	97.1	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-65.8	-24.6	-179.4	-70.7	-177.1	0	0	0	113.2	F155 L158 F168 I181 K187 F188 G189 L190 F210	F155-L185 HydrophobicContact CB-CD2 3.64Å; F155-L185 HydrophobicContact CD1-CD1 4.46Å; F155-L185 HydrophobicContact CD1-CD2 3.82Å; F155-L185 HydrophobicContact CD2-CD2 4.19Å; F155-L185 HydrophobicContact CE1-CD1 4.46Å; F155-L185 HydrophobicContact CG-CD2 3.62Å; F155-L185 HydrophobicContact CG-CG 4.48Å; L158-L185 HydrophobicContact CD1-CD1 4.3Å; L158-L185 HydrophobicContact CD1-CD2 3.74Å; F168-L185 HydrophobicContact CD1-CD1 4.42Å; F168-L185 HydrophobicContact CE1-CD1 4.08Å; I181-L185 HydrophobicContact CG2-CD1 3.97Å; I181-L185 HydrophobicContact CG2-CG 4.31Å; I181-L185 WeakPolarHBondContact O-CG 3.48Å; I181-L185 PolarHBondContact O-N 3.31Å; L185-K187 VanDerWaalsContact C-N 3.27Å; L185-K187 PolarHBondContact O-N 3.01Å; L185-F188 HydrophobicContact CD2-CD2 4.07Å; L185-F188 CarbonylContact O-C 3.17Å; L185-F188 WeakPolarHBondContact O-CA 3.43Å; L185-F188 WeakPolarHBondContact O-CB 3.31Å; L185-F188 PolarHBondContact O-N 2.9Å; L185-G189 PolarHBondContact O-N 3.18Å; L185-L190 CarbonylContact C-O 3.49Å; L185-L190 HydrophobicContact CB-CB 4.22Å; L185-L190 HydrophobicContact CD2-CD1 4.28Å; L185-L190 WeakPolarHBondContact O-CB 3.39Å; L185-L190 PolarHBondContact O-N 2.93Å; L185-F210 HydrophobicContact CB-CD1 4.18Å; L185-F210 HydrophobicContact CB-CE1 4.03Å; L185-F210 HydrophobicContact CD1-CD1 3.85Å; L185-F210 HydrophobicContact CD1-CD2 3.91Å; L185-F210 HydrophobicContact CD1-CE1 3.64Å; L185-F210 HydrophobicContact CD1-CE2 3.64Å; L185-F210 HydrophobicContact CD1-CG 4.01Å; L185-F210 HydrophobicContact CD1-CZ 3.53Å; L185-F210 HydrophobicContact CG-CE1 4.42Å
186	R	97.1	Very high	97.2	Very high	148 Å²	148	55.7 Å²	55.7	56%	0.558	29%	0.289	S	S	*	.	H	α-helix	trans	-60.2	-35.3	168	-72.5	176.6	-164.9	-180	5.2	113	T182 I183 L184 F188 G189 L190	T182-R186 WeakPolarHBondContact O-CG 3.24Å; T182-R186 PolarHBondContact O-N 2.87Å; I183-R186 PolarHBondContact O-N 3.24Å; L184-R186 PolarHBondContact O-N 3.36Å; R186-F188 PolarHBondContact O-N 3.43Å; R186-G189 PolarHBondContact O-N 2.57Å; R186-L190 WeakPolarHBondContact CA-O 3.46Å; R186-L190 WeakPolarHBondContact CG-O 3.35Å; R186-L190 PolarHBondContact N-O 2.8Å
187	K	96	Very high	97.1	Very high	165 Å²	165	58.9 Å²	58.9	72%	0.717	31%	0.311	S	S	*	.	H	α-helix	trans	-65.8	-24	175.5	-56.4	179.4	-177.5	174.2	0	112	L184 L185 G189	L184-K187 HydrophobicContact CD1-CD 4.42Å; L184-K187 VanDerWaalsContact O-CB 3.26Å; L184-K187 WeakPolarHBondContact O-CB 3.35Å; L184-K187 PolarHBondContact O-N 2.93Å; L185-K187 VanDerWaalsContact C-N 3.27Å; L185-K187 PolarHBondContact O-N 3.01Å; K187-G189 VanDerWaalsContact C-N 3.32Å
188	F	95.9	Very high	97	Very high	69 Å²	69	59.8 Å²	59.8	30%	0.303	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	9	174	-67.2	-64.7	0	0	0	113.2	F155 P156 P159 L184 L185 R186	F155-F188 HydrophobicContact CB-CD2 4.41Å; F155-F188 HydrophobicContact CB-CE2 4.13Å; P156-F188 HydrophobicContact CB-CE1 4.08Å; P156-F188 HydrophobicContact CB-CZ 4.25Å; P156-F188 HydrophobicContact CG-CE1 4.24Å; P156-F188 HydrophobicContact CG-CZ 3.9Å; P159-F188 HydrophobicContact CG-CB 3.69Å; P159-F188 HydrophobicContact CG-CD1 4.34Å; P159-F188 HydrophobicContact CG-CG 4.38Å; P159-F188 WeakPolarHBondContact CG-O 3.43Å; L184-F188 HydrophobicContact CD1-CE2 4Å; L184-F188 HydrophobicContact CG-CE2 4.11Å; L185-F188 HydrophobicContact CD2-CD2 4.07Å; L185-F188 CarbonylContact O-C 3.17Å; L185-F188 WeakPolarHBondContact O-CA 3.43Å; L185-F188 WeakPolarHBondContact O-CB 3.31Å; L185-F188 PolarHBondContact O-N 2.9Å; R186-F188 PolarHBondContact O-N 3.43Å
189	G	96.9	Very high	96.7	Very high	33 Å²	33	68.9 Å²	68.9	34%	0.34	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	25.1	178.7	0	0	0	0	0	114	L185 R186 K187 T213	L185-G189 PolarHBondContact O-N 3.18Å; R186-G189 PolarHBondContact O-N 2.57Å; K187-G189 VanDerWaalsContact C-N 3.32Å; G189-T213 PolarHBondContact O-N 2.96Å; G189-T213 PolarHBondContact O-OG1 2.96Å
190	L	97.9	Very high	95.6	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134.3	177.6	-58.8	173.1	0	0	0	111	L158 L162 L185 R186 F210 H211 R212	L158-L190 HydrophobicContact CB-CD1 3.73Å; L158-L190 HydrophobicContact CD1-CD1 3.86Å; L158-L190 HydrophobicContact CG-CD1 4.43Å; L162-L190 HydrophobicContact CD1-CD1 4.19Å; L162-L190 HydrophobicContact CD1-CD2 3.55Å; L185-L190 CarbonylContact C-O 3.49Å; L185-L190 HydrophobicContact CB-CB 4.22Å; L185-L190 HydrophobicContact CD2-CD1 4.28Å; L185-L190 WeakPolarHBondContact O-CB 3.39Å; L185-L190 PolarHBondContact O-N 2.93Å; R186-L190 WeakPolarHBondContact CA-O 3.46Å; R186-L190 WeakPolarHBondContact CG-O 3.35Å; R186-L190 PolarHBondContact N-O 2.8Å; L190-F210 HydrophobicContact CB-CB 4.49Å; L190-H211 CarbonylContact C-O 3.42Å; L190-H211 VanDerWaalsContact CA-O 3.31Å; L190-H211 WeakPolarHBondContact CA-O 3.47Å; L190-R212 HydrophobicContact CD2-CG 4.04Å
191	Q	97.4	Very high	94.7	Very high	96 Å²	96	62.5 Å²	62.5	45%	0.449	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.2	171.3	-174.3	173.4	15.6	0	0	109	F210 H211	Q191-F210 CarbonylContact O-C 3.58Å; Q191-F210 WeakPolarHBondContact O-CA 3.13Å; Q191-H211 PolarHBondContact N-O 3.06Å; Q191-H211 PolarHBondContact O-CD2 3.39Å; Q191-H211 PolarHBondContact O-N 3.23Å
192	G	96.4	Very high	93.6	Very high	12 Å²	12	68.3 Å²	68.3	12%	0.124	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.9	173	176.7	0	0	0	0	0	113.5	T182 R209 F210	T182-G192 VanDerWaalsContact CG2-O 3.3Å; T182-G192 WeakPolarHBondContact CG2-O 3.45Å; G192-R209 WeakPolarHBondContact CA-O 3.42Å; G192-F210 VanDerWaalsContact CA-CD1 3.44Å
193	A	97.1	Very high	92.6	Very high	54 Å²	54	71.9 Å²	71.9	45%	0.446	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	162.9	179.2	0	0	0	0	0	109.6	C195 R209	A193-C195 PolarHBondContact O-N 3.05Å; A193-R209 PolarHBondContact N-O 2.82Å; A193-R209 VanDerWaalsContact N-O 3.15Å; A193-R209 PolarHBondContact O-N 3.23Å
194	P	97.3	Very high	92.3	Very high	71 Å²	71	69.5 Å²	69.5	46%	0.461	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56	130.8	166.4	-21	31.8	0	0	0	110.6	L208	P194-L208 HydrophobicContact CB-CD2 4.03Å; P194-L208 HydrophobicContact CG-CD2 3.68Å
195	C	96.4	Very high	92.3	Very high	24 Å²	24	67.6 Å²	67.6	16%	0.162	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-30.1	173.1	64.9	0	0	0	0	112.1	Q35 A193 V207 R209	Q35-C195 PolarHBondContact OE1-O 3.14Å; A193-C195 PolarHBondContact O-N 3.05Å; C195-V207 PolarHBondContact N-O 3.32Å; C195-V207 PolarHBondContact SG-O 3.01Å; C195-R209 HydrophobicContact CB-CB 4.04Å
196	L	97.6	Very high	92.3	Very high	46 Å²	46	68.2 Å²	68.2	24%	0.241	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	141	173.9	-168.6	62.4	0	0	0	109.8	L28 D31 A32 S206 V207	L28-L196 HydrophobicContact CD1-CD2 3.69Å; L28-L196 HydrophobicContact CD1-CG 3.79Å; L28-L196 HydrophobicContact CG-CD2 4.47Å; D31-L196 HydrophobicContact CB-CD2 3.63Å; A32-L196 HydrophobicContact CB-CB 4.03Å; A32-L196 HydrophobicContact CB-CD2 4.12Å; L196-S206 WeakPolarHBondContact O-CA 3.42Å; L196-V207 PolarHBondContact O-N 3.45Å
197	S	96.6	Very high	92.4	Very high	66 Å²	66	61.1 Å²	61.1	46%	0.462	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143.6	175.6	-60.5	0	0	0	0	109.8	L205 S206	S197-L205 CarbonylContact C-O 3.54Å; S197-L205 VanDerWaalsContact CA-O 3.27Å; S197-L205 WeakPolarHBondContact CA-O 3.27Å; S197-S206 PolarHBondContact OG-OG 3.35Å
198	R	94.6	Very high	92.5	Very high	85 Å²	85	53.3 Å²	53.3	32%	0.321	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.1	176.2	-175.4	-177	-66.9	172.9	3.8	109.4	E24 L28 D31 T200 L205	E24-R198 IonicContact OE2-NH1 3.72Å; E24-R198 PolarHBondContact OE2-NH1 3.18Å; L28-R198 HydrophobicContact CD1-CB 3.65Å; L28-R198 HydrophobicContact CD2-CB 4.4Å; D31-R198 IonicContact OD2-CZ 2.86Å; D31-R198 IonicContact OD2-NH2 3.9Å; D31-R198 PolarHBondContact OD2-NH2 2.77Å; R198-T200 HydrophobicContact CG-CG2 4.01Å; R198-L205 PolarHBondContact N-O 2.96Å; R198-L205 PolarHBondContact O-N 3.28Å
199	R	90.3	Very high	92.6	Very high	200 Å²	200	53 Å²	53	76%	0.755	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	120.9	169.4	-168.4	176.4	-178.9	176.8	3.6	109.4	E203	R199-E203 WeakPolarHBondContact CA-O 3.47Å
200	T	74.9	Confident	92.7	Very high	31 Å²	31	51.4 Å²	51.4	19%	0.19	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	95.4	-179.6	39.5	0	0	0	0	108.4	E24 R198 E203	E24-T200 HydrophobicContact CB-CG2 4.14Å; E24-T200 HydrophobicContact CG-CG2 3.94Å; R198-T200 HydrophobicContact CG-CG2 4.01Å; T200-E203 PolarHBondContact N-O 3.15Å; T200-E203 PolarHBondContact O-N 3.01Å
201	G	77.2	Confident	92.7	Very high	61 Å²	61	55 Å²	55	63%	0.629	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	-126.9	-173.6	0	0	0	0	0	112.2	E203	G201-E203 VanDerWaalsContact C-N 3.31Å
202	P	74.8	Confident	92.6	Very high	122 Å²	122	53.4 Å²	53.4	79%	0.792	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-20.6	176.8	31.9	-32.6	0	0	0	112.9
203	E	77.1	Confident	92.2	Very high	86 Å²	86	56.4 Å²	56.4	40%	0.402	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	142.2	-173.6	-62.8	179.1	171.9	0	0	111.7	R199 T200 G201	R199-E203 WeakPolarHBondContact CA-O 3.47Å; T200-E203 PolarHBondContact N-O 3.15Å; T200-E203 PolarHBondContact O-N 3.01Å; G201-E203 VanDerWaalsContact C-N 3.31Å
204	S	92.7	Very high	90.7	Very high	49 Å²	49	63.3 Å²	63.3	34%	0.343	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	95.8	174	179.6	0	0	0	0	108.7	V173 A174	V173-S204 WeakPolarHBondContact CA-O 3.36Å; A174-S204 PolarHBondContact N-O 2.86Å
205	L	96.4	Very high	90.4	Very high	1 Å²	1	63 Å²	63	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	139.7	179.2	-70.4	162.9	0	0	0	110.5	E24 D25 L28 V171 T172 V173 S197 R198	E24-L205 HydrophobicContact CB-CD1 4.14Å; D25-L205 HydrophobicContact CB-CD1 4.34Å; D25-L205 HydrophobicContact CB-CD2 4.13Å; L28-L205 HydrophobicContact CD2-CB 3.48Å; L28-L205 VanDerWaalsContact CD2-CB 3.48Å; V171-L205 HydrophobicContact CG1-CD2 4.3Å; T172-L205 CarbonylContact O-C 3.55Å; T172-L205 WeakPolarHBondContact O-CA 3.44Å; V173-L205 HydrophobicContact CG1-CD2 3.52Å; V173-L205 HydrophobicContact CG1-CG 4.36Å; S197-L205 CarbonylContact C-O 3.54Å; S197-L205 VanDerWaalsContact CA-O 3.27Å; S197-L205 WeakPolarHBondContact CA-O 3.27Å; R198-L205 PolarHBondContact N-O 2.96Å; R198-L205 PolarHBondContact O-N 3.28Å
206	S	98	Very high	90.1	Very high	13 Å²	13	65 Å²	65	9%	0.091	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136	175.3	-65.3	0	0	0	0	111.2	T172 L196 S197	T172-S206 PolarHBondContact N-O 3.28Å; T172-S206 PolarHBondContact O-N 3.46Å; T172-S206 PolarHBondContact OG1-O 2.82Å; T172-S206 VanDerWaalsContact OG1-O 3.06Å; L196-S206 WeakPolarHBondContact O-CA 3.42Å; S197-S206 PolarHBondContact OG-OG 3.35Å
207	V	98.7	Very high	89.7	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	113.3	167.4	-177.1	0	0	0	0	108	L28 L29 A32 Y169 L170 V171 C195 L196	L28-V207 HydrophobicContact CD2-CG2 4.02Å; L28-V207 HydrophobicContact CG-CG2 3.82Å; L29-V207 HydrophobicContact CB-CG2 4.49Å; L29-V207 HydrophobicContact CD1-CG1 3.82Å; L29-V207 HydrophobicContact CD1-CG2 4.37Å; A32-V207 HydrophobicContact CB-CB 4Å; A32-V207 HydrophobicContact CB-CG1 3.86Å; A32-V207 HydrophobicContact CB-CG2 4.05Å; Y169-V207 HydrophobicContact CD1-CG1 4.16Å; L170-V207 CarbonylContact O-C 3.07Å; L170-V207 WeakPolarHBondContact O-CA 3.48Å; V171-V207 HydrophobicContact CG2-CG2 4.35Å; C195-V207 PolarHBondContact N-O 3.32Å; C195-V207 PolarHBondContact SG-O 3.01Å; L196-V207 PolarHBondContact O-N 3.45Å
208	L	98.8	Very high	89.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	138.2	172.5	-54.6	-176.5	0	0	0	109.4	Y169 L170 T172 P178 I181 P194 F210	Y169-L208 WeakPolarHBondContact CA-O 3Å; L170-L208 HydrophobicContact CB-CB 4.45Å; L170-L208 PolarHBondContact N-O 2.91Å; L170-L208 PolarHBondContact O-N 2.92Å; T172-L208 HydrophobicContact CG2-CD1 4Å; T172-L208 HydrophobicContact CG2-CG 4.35Å; P178-L208 HydrophobicContact CB-CD1 4.02Å; P178-L208 HydrophobicContact CB-CD2 4.12Å; I181-L208 HydrophobicContact CB-CD1 4.37Å; I181-L208 HydrophobicContact CG2-CD1 4.14Å; P194-L208 HydrophobicContact CB-CD2 4.03Å; P194-L208 HydrophobicContact CG-CD2 3.68Å; L208-F210 HydrophobicContact CB-CD2 4.24Å; L208-F210 HydrophobicContact CB-CE2 3.36Å; L208-F210 HydrophobicContact CB-CZ 3.79Å; L208-F210 HydrophobicContact CD1-CE2 3.97Å; L208-F210 HydrophobicContact CD1-CZ 3.76Å; L208-F210 HydrophobicContact CG-CE2 4.33Å; L208-F210 HydrophobicContact CG-CZ 4.41Å
209	R	98.6	Very high	88.9	Confident	62 Å²	62	64.9 Å²	64.9	23%	0.234	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.2	173.9	-175.9	-179	63.9	-142	-5.4	110.1	D36 F168 Y169 G192 A193 C195	D36-R209 IonicContact OD1-CZ 3.61Å; D36-R209 IonicContact OD1-NH1 2.84Å; D36-R209 PolarHBondContact OD1-NH1 2.87Å; D36-R209 WeakPolarHBondContact OD2-CD 3.37Å; D36-R209 IonicContact OD2-CZ 3.85Å; D36-R209 IonicContact OD2-NE 2.72Å; D36-R209 IonicContact OD2-NH1 3.87Å; D36-R209 PolarHBondContact OD2-NH1 3.49Å; F168-R209 CarbonylContact O-C 3.53Å; F168-R209 WeakPolarHBondContact O-CA 3.3Å; Y169-R209 HydrophobicContact CD1-CB 4.23Å; Y169-R209 HydrophobicContact CD1-CG 4.16Å; Y169-R209 HydrophobicContact CE1-CB 4.16Å; Y169-R209 HydrophobicContact CE1-CG 3.75Å; Y169-R209 HydrophobicContact CE2-CG 4.39Å; Y169-R209 WeakPolarHBondContact OH-CD 3.4Å; G192-R209 WeakPolarHBondContact CA-O 3.42Å; A193-R209 PolarHBondContact N-O 2.82Å; A193-R209 VanDerWaalsContact N-O 3.15Å; A193-R209 PolarHBondContact O-N 3.23Å; C195-R209 HydrophobicContact CB-CB 4.04Å
210	F	98.7	Very high	88.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	154.4	-179.5	-59.5	-89.5	0	0	0	111.8	L167 F168 L170 I181 T182 L185 L190 Q191 G192 L208	L167-F210 CarbonylContact C-O 3.4Å; L167-F210 WeakPolarHBondContact CA-O 3.38Å; F168-F210 HydrophobicContact CB-CB 4.22Å; F168-F210 HydrophobicContact CD1-CB 4.11Å; F168-F210 AromaticContact CD1-CD2 3.55Å; F168-F210 HydrophobicContact CD1-CD2 3.55Å; F168-F210 HydrophobicContact CD1-CE2 4.35Å; F168-F210 HydrophobicContact CD1-CG 4.11Å; F168-F210 AromaticContact CE1-CD2 3.99Å; F168-F210 HydrophobicContact CE1-CD2 3.99Å; F168-F210 HydrophobicContact CE1-CE2 4.36Å; F168-F210 HydrophobicContact CG-CD2 4.47Å; F168-F210 PolarHBondContact N-O 3.28Å; F168-F210 PolarHBondContact O-N 3.43Å; L170-F210 HydrophobicContact CB-CE2 4.42Å; I181-F210 HydrophobicContact CG2-CZ 4.25Å; T182-F210 HydrophobicContact CG2-CE1 4.34Å; L185-F210 HydrophobicContact CB-CD1 4.18Å; L185-F210 HydrophobicContact CB-CE1 4.03Å; L185-F210 HydrophobicContact CD1-CD1 3.85Å; L185-F210 HydrophobicContact CD1-CD2 3.91Å; L185-F210 HydrophobicContact CD1-CE1 3.64Å; L185-F210 HydrophobicContact CD1-CE2 3.64Å; L185-F210 HydrophobicContact CD1-CG 4.01Å; L185-F210 HydrophobicContact CD1-CZ 3.53Å; L185-F210 HydrophobicContact CG-CE1 4.42Å; L190-F210 HydrophobicContact CB-CB 4.49Å; Q191-F210 CarbonylContact O-C 3.58Å; Q191-F210 WeakPolarHBondContact O-CA 3.13Å; G192-F210 VanDerWaalsContact CA-CD1 3.44Å; L208-F210 HydrophobicContact CB-CD2 4.24Å; L208-F210 HydrophobicContact CB-CE2 3.36Å; L208-F210 HydrophobicContact CB-CZ 3.79Å; L208-F210 HydrophobicContact CD1-CE2 3.97Å; L208-F210 HydrophobicContact CD1-CZ 3.76Å; L208-F210 HydrophobicContact CG-CE2 4.33Å; L208-F210 HydrophobicContact CG-CZ 4.41Å
211	H	97.7	Very high	89.8	Confident	75 Å²	75	57.6 Å²	57.6	35%	0.347	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	166.1	169.4	63	89.5	0	0	0	109.6	L167 L190 Q191	L167-H211 HydrophobicContact CD2-CB 3.97Å; L190-H211 CarbonylContact C-O 3.42Å; L190-H211 VanDerWaalsContact CA-O 3.31Å; L190-H211 WeakPolarHBondContact CA-O 3.47Å; Q191-H211 PolarHBondContact N-O 3.06Å; Q191-H211 PolarHBondContact O-CD2 3.39Å; Q191-H211 PolarHBondContact O-N 3.23Å
212	R	95.1	Very high	90.8	Very high	63 Å²	63	57.4 Å²	57.4	24%	0.238	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139.9	173.4	-70	-177	176.8	-86.2	4.2	111.3	P159 L162 S163 L190 T214	P159-R212 PolarHBondContact O-NH1 3.25Å; P159-R212 PolarHBondContact O-NH2 3Å; L162-R212 PolarHBondContact O-NE 2.81Å; L162-R212 VanDerWaalsContact O-NE 3.12Å; L162-R212 PolarHBondContact O-NH2 3.26Å; S163-R212 WeakPolarHBondContact O-CD 3.4Å; S163-R212 PolarHBondContact O-NE 3.19Å; S163-R212 VanDerWaalsContact O-NE 3.15Å; L190-R212 HydrophobicContact CD2-CG 4.04Å; R212-T214 PolarHBondContact O-N 3.18Å
213	T	87.8	Confident	92.1	Very high	76 Å²	76	52 Å²	52	47%	0.466	28%	0.279	S	S	.	.			trans	-68.4	123.3	166.9	-48.4	0	0	0	0	108.1	G189	G189-T213 PolarHBondContact O-N 2.96Å; G189-T213 PolarHBondContact O-OG1 2.96Å
214	T	66.1	Low	93.5	Very high	199 Å²	199	48.9 Å²	48.9	100%	1.221	27%	0.268	S	S	*	.			trans	-69.6	0	171.8	49.1	0	0	0	0	111.9	R212	R212-T214 PolarHBondContact O-N 3.18Å

Retrieved 214 of 214 residues in 1727.8 ms (Link to these results)

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