A0A3Q0KDF5_SCHMA 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 A0A3Q0KDF5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 219 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	84.4	Confident	93.7	Very high	97 Å²	97	65.1 Å²	65.1	48%	0.478	38%	0.383	S	S	.	.				0	-179.2	0	-70.9	156.3	-177.1	0	0	108.6	E32 F59 I64	M1-E32 HydrophobicContact CE-CG 4.25Å; M1-E32 HydrophobicContact CG-CG 4.42Å; M1-E32 PolarHBondContact N-OE1 2.84Å; M1-E32 PolarHBondContact N-OE2 3.28Å; M1-E32 HydrophobicContact SD-CB 4.18Å; M1-E32 HydrophobicContact SD-CG 3.89Å; M1-F59 HydrophobicContact CB-CE2 3.6Å; M1-F59 HydrophobicContact CB-CZ 3.78Å; M1-F59 HydrophobicContact CG-CZ 4.49Å; M1-F59 HydrophobicContact SD-CE1 4.48Å; M1-F59 HydrophobicContact SD-CE2 4.45Å; M1-F59 HydrophobicContact SD-CZ 3.87Å; M1-I64 HydrophobicContact CE-CD1 3.72Å; M1-I64 HydrophobicContact SD-CD1 3.17Å; M1-I64 WeakPolarHBondContact SD-CD1 3.23Å; M1-I64 HydrophobicContact SD-CG1 4.22Å
2	T	88.1	Confident	93.8	Very high	115 Å²	115	69.3 Å²	69.3	71%	0.706	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-96.3	129	-179.1	-52	0	0	0	0	110.7
3	T	92.3	Very high	93.9	Very high	75 Å²	75	71.7 Å²	71.7	46%	0.46	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-61	133.4	173.2	-52.2	0	0	0	0	110.6	Y25 L28	T3-Y25 HydrophobicContact CG2-CD1 4.42Å; T3-Y25 HydrophobicContact CG2-CE1 3.85Å; T3-L28 HydrophobicContact CG2-CD2 4.27Å
4	P	96.3	Very high	94.1	Very high	7 Å²	7	66.8 Å²	66.8	5%	0.045	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-59.7	148.1	179.6	-26.2	36.7	0	0	0	113.3	T6 V55 A58 F59 N90	P4-T6 PolarHBondContact O-N 3.31Å; P4-V55 HydrophobicContact CB-CG2 4.4Å; P4-V55 HydrophobicContact CG-CG2 4.23Å; P4-A58 HydrophobicContact CB-CB 3.79Å; P4-A58 HydrophobicContact CG-CB 3.88Å; P4-F59 HydrophobicContact CG-CB 3.73Å; P4-F59 HydrophobicContact CG-CD2 4.4Å; P4-N90 WeakPolarHBondContact CA-OD1 3.32Å; P4-N90 HydrophobicContact CB-CB 4.34Å
5	I	96.9	Very high	94	Very high	97 Å²	97	67.7 Å²	67.7	50%	0.497	40%	0.4	S	S	.	.			trans	-70.9	113.8	172.7	-58.4	170.6	0	0	0	108.7	V89 N90	I5-V89 HydrophobicContact CB-CG1 3.92Å; I5-V89 HydrophobicContact CD1-CG1 4.23Å; I5-V89 HydrophobicContact CG2-CG1 4.01Å; I5-N90 PolarHBondContact N-ND2 2.87Å; I5-N90 PolarHBondContact N-OD1 2.85Å; I5-N90 PolarHBondContact O-ND2 2.78Å
6	T	96.7	Very high	93.9	Very high	30 Å²	30	69.9 Å²	69.9	18%	0.184	41%	0.406	C	S	.	.			trans	-117.8	23.3	178.6	54.9	0	0	0	0	112.1	P4 C8 M9 P20 V55 V86	P4-T6 PolarHBondContact O-N 3.31Å; T6-C8 PolarHBondContact O-N 3.18Å; T6-M9 VanDerWaalsContact O-CB 3.26Å; T6-M9 WeakPolarHBondContact O-CB 3.34Å; T6-M9 VanDerWaalsContact O-CG 3.29Å; T6-M9 WeakPolarHBondContact O-CG 3.29Å; T6-M9 PolarHBondContact O-N 3.3Å; T6-P20 HydrophobicContact CG2-CG 3.84Å; T6-V55 HydrophobicContact CG2-CB 4.1Å; T6-V55 HydrophobicContact CG2-CG2 3.96Å; T6-V86 HydrophobicContact CG2-CG1 3.94Å; T6-V86 HydrophobicContact CG2-CG2 4.17Å
7	S	95.2	Very high	94	Very high	84 Å²	84	66.3 Å²	66.3	59%	0.587	39%	0.385	S	S	*	.	G	3₁₀ helix	trans	-54.6	-31.4	-175.4	53.8	0	0	0	0	114	M9 S10	S7-M9 PolarHBondContact O-N 3.29Å; S7-M9 VanDerWaalsContact O-N 3.15Å; S7-S10 PolarHBondContact O-N 2.81Å; S7-S10 VanDerWaalsContact O-N 3.13Å; S7-S10 PolarHBondContact O-OG 3.21Å
8	C	94.7	Very high	93.9	Very high	8 Å²	8	65.8 Å²	65.8	5%	0.054	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-58.5	-24.7	175.1	63.5	0	0	0	0	113.2	T6 S10 E11 F14	T6-C8 PolarHBondContact O-N 3.18Å; C8-S10 PolarHBondContact O-N 3.43Å; C8-E11 WeakPolarHBondContact CA-OE1 3.18Å; C8-E11 WeakPolarHBondContact O-CB 3.28Å; C8-E11 VanDerWaalsContact O-CG 3.3Å; C8-E11 WeakPolarHBondContact O-CG 3.5Å; C8-E11 PolarHBondContact O-N 2.93Å; C8-F14 HydrophobicContact CB-CD2 4.42Å; C8-F14 HydrophobicContact CB-CE2 4.21Å; C8-F14 WeakPolarHBondContact O-CD2 3.42Å
9	M	94.8	Very high	94	Very high	25 Å²	25	65.8 Å²	65.8	12%	0.123	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-63.1	-13.3	177.7	-62	-62.5	94.5	0	0	113.5	T6 S7 E11 F14 V17 A82 V86	T6-M9 VanDerWaalsContact O-CB 3.26Å; T6-M9 WeakPolarHBondContact O-CB 3.34Å; T6-M9 VanDerWaalsContact O-CG 3.29Å; T6-M9 WeakPolarHBondContact O-CG 3.29Å; T6-M9 PolarHBondContact O-N 3.3Å; S7-M9 PolarHBondContact O-N 3.29Å; S7-M9 VanDerWaalsContact O-N 3.15Å; M9-E11 VanDerWaalsContact C-N 3.3Å; M9-F14 HydrophobicContact CE-CB 4.02Å; M9-F14 HydrophobicContact CE-CD1 4.36Å; M9-F14 HydrophobicContact CE-CD2 3.5Å; M9-F14 VanDerWaalsContact CE-CD2 3.5Å; M9-F14 HydrophobicContact CE-CE2 4.05Å; M9-F14 HydrophobicContact CE-CG 3.69Å; M9-F14 HydrophobicContact SD-CB 4.35Å; M9-V17 HydrophobicContact SD-CG1 4.22Å; M9-A82 HydrophobicContact CE-CB 3.39Å; M9-A82 HydrophobicContact SD-CB 4.03Å; M9-V86 HydrophobicContact CE-CG2 4.25Å
10	S	94.5	Very high	94.1	Very high	107 Å²	107	63.5 Å²	63.5	75%	0.748	37%	0.366	S	S	*	.	G	3₁₀ helix	trans	-81.1	-7.8	171.8	65.6	0	0	0	0	114	S7 C8	S7-S10 PolarHBondContact O-N 2.81Å; S7-S10 VanDerWaalsContact O-N 3.13Å; S7-S10 PolarHBondContact O-OG 3.21Å; C8-S10 PolarHBondContact O-N 3.43Å
11	E	96.6	Very high	94.2	Very high	71 Å²	71	61.8 Å²	61.8	33%	0.332	36%	0.358	S	S	.	.	S	Bend	trans	-78.5	145.3	-177.5	-64.2	174.8	-147.7	0	0	111.8	C8 M9 E13 F14 R85	C8-E11 WeakPolarHBondContact CA-OE1 3.18Å; C8-E11 WeakPolarHBondContact O-CB 3.28Å; C8-E11 VanDerWaalsContact O-CG 3.3Å; C8-E11 WeakPolarHBondContact O-CG 3.5Å; C8-E11 PolarHBondContact O-N 2.93Å; M9-E11 VanDerWaalsContact C-N 3.3Å; E11-E13 PolarHBondContact O-N 3.5Å; E11-F14 PolarHBondContact O-N 3.29Å; E11-R85 IonicContact OE1-CZ 3.38Å; E11-R85 IonicContact OE1-NH1 3.58Å; E11-R85 IonicContact OE1-NH2 3.7Å; E11-R85 PolarHBondContact OE1-NH2 3.47Å; E11-R85 IonicContact OE2-CZ 2.97Å; E11-R85 VanDerWaalsContact OE2-CZ 3.31Å; E11-R85 IonicContact OE2-NH1 2.92Å; E11-R85 PolarHBondContact OE2-NH1 3.06Å; E11-R85 IonicContact OE2-NH2 3.68Å; E11-R85 PolarHBondContact OE2-NH2 2.94Å
12	P	95.5	Very high	94.7	Very high	115 Å²	115	61.3 Å²	61.3	75%	0.747	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-56.1	-28.2	-179.1	-26.6	34.9	0	0	0	114.5	F14 S15	P12-F14 PolarHBondContact O-N 3.27Å; P12-S15 WeakPolarHBondContact O-CB 3.22Å; P12-S15 PolarHBondContact O-N 3.05Å; P12-S15 PolarHBondContact O-OG 3.12Å
13	E	95.5	Very high	95.1	Very high	101 Å²	101	56.2 Å²	56.2	47%	0.472	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-57.6	-34.3	175.8	-174.6	-178.4	-168.9	0	0	112.3	E11 T78 R85	E11-E13 PolarHBondContact O-N 3.5Å; E13-T78 VanDerWaalsContact O-CG2 3.22Å; E13-T78 WeakPolarHBondContact O-CG2 3.48Å; E13-R85 IonicContact OE2-NH1 3.74Å; E13-R85 PolarHBondContact OE2-NH1 3.01Å; E13-R85 VanDerWaalsContact OE2-NH1 3.15Å
14	F	95.8	Very high	95.3	Very high	3 Å²	3	52.9 Å²	52.9	1%	0.013	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-106.6	19.6	-176.1	-56.4	-52	0	0	0	113.2	C8 M9 E11 P12 E16 V17 T78 H81 A82 R85	C8-F14 HydrophobicContact CB-CD2 4.42Å; C8-F14 HydrophobicContact CB-CE2 4.21Å; C8-F14 WeakPolarHBondContact O-CD2 3.42Å; M9-F14 HydrophobicContact CE-CB 4.02Å; M9-F14 HydrophobicContact CE-CD1 4.36Å; M9-F14 HydrophobicContact CE-CD2 3.5Å; M9-F14 VanDerWaalsContact CE-CD2 3.5Å; M9-F14 HydrophobicContact CE-CE2 4.05Å; M9-F14 HydrophobicContact CE-CG 3.69Å; M9-F14 HydrophobicContact SD-CB 4.35Å; E11-F14 PolarHBondContact O-N 3.29Å; P12-F14 PolarHBondContact O-N 3.27Å; F14-E16 PolarHBondContact O-N 3.31Å; F14-V17 HydrophobicContact CB-CB 4.25Å; F14-V17 HydrophobicContact CB-CG2 4.14Å; F14-V17 HydrophobicContact CD1-CG2 4.03Å; F14-V17 PolarHBondContact O-N 2.97Å; F14-T78 HydrophobicContact CD1-CG2 3.89Å; F14-T78 HydrophobicContact CE1-CG2 4.37Å; F14-H81 HydrophobicContact CE1-CB 3.96Å; F14-H81 HydrophobicContact CZ-CB 4.42Å; F14-A82 HydrophobicContact CD1-CB 3.7Å; F14-A82 HydrophobicContact CE1-CB 3.85Å; F14-A82 HydrophobicContact CG-CB 4.2Å; F14-A82 HydrophobicContact CZ-CB 4.42Å; F14-R85 VanDerWaalsContact CE2-NH1 3.3Å; F14-R85 VanDerWaalsContact CZ-CD 3.46Å; F14-R85 HydrophobicContact CZ-CG 4.45Å
15	S	93.5	Very high	95.4	Very high	80 Å²	80	56.2 Å²	56.2	56%	0.559	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.8	179.1	52.3	0	0	0	0	113.8	P12	P12-S15 WeakPolarHBondContact O-CB 3.22Å; P12-S15 PolarHBondContact O-N 3.05Å; P12-S15 PolarHBondContact O-OG 3.12Å
16	E	91.9	Very high	95.4	Very high	104 Å²	104	51.6 Å²	51.6	49%	0.486	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	6.5	177.4	-65.5	-63.6	143.2	0	0	113.7	F14 I141	F14-E16 PolarHBondContact O-N 3.31Å; E16-I141 WeakPolarHBondContact O-CB 3.49Å
17	V	95.5	Very high	95.5	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.048	28%	0.282	C	S	.	.	S	Bend	trans	-95.3	132.6	175.3	-178.9	0	0	0	0	108.7	M9 F14 P19 T78 A79 A82	M9-V17 HydrophobicContact SD-CG1 4.22Å; F14-V17 HydrophobicContact CB-CB 4.25Å; F14-V17 HydrophobicContact CB-CG2 4.14Å; F14-V17 HydrophobicContact CD1-CG2 4.03Å; F14-V17 PolarHBondContact O-N 2.97Å; V17-P19 VanDerWaalsContact O-CD 3.29Å; V17-P19 WeakPolarHBondContact O-CD 3.3Å; V17-P19 VanDerWaalsContact O-N 3.11Å; V17-T78 HydrophobicContact CG2-CG2 3.66Å; V17-A79 HydrophobicContact CG1-CB 4.41Å; V17-A79 HydrophobicContact CG2-CB 4.5Å; V17-A82 HydrophobicContact CG1-CB 4Å; V17-A82 HydrophobicContact CG2-CB 4.17Å
18	Y	93.3	Very high	95.6	Very high	58 Å²	58	46.4 Å²	46.4	23%	0.227	26%	0.255	C	S	.	.			trans	-60.2	115.6	175.5	-170.2	-102.1	0	0	0	110.2	S21 S144 W145	Y18-S21 WeakPolarHBondContact OH-CB 3.44Å; Y18-S21 PolarHBondContact OH-OG 3.46Å; Y18-S144 WeakPolarHBondContact CB-OG 3.48Å; Y18-S144 WeakPolarHBondContact CD2-OG 3.41Å; Y18-W145 HydrophobicContact CD2-CE3 4.03Å; Y18-W145 HydrophobicContact CD2-CZ3 4.42Å; Y18-W145 HydrophobicContact CE2-CE3 4.15Å
19	P	95.1	Very high	95.8	Very high	66 Å²	66	48.8 Å²	48.8	43%	0.429	27%	0.268	S	S	.	.			trans	-70.3	154.9	-179.4	30.3	-34.7	0	0	0	109.9	V17 S21	V17-P19 VanDerWaalsContact O-CD 3.29Å; V17-P19 WeakPolarHBondContact O-CD 3.3Å; V17-P19 VanDerWaalsContact O-N 3.11Å; P19-S21 PolarHBondContact O-N 3.24Å; P19-S21 VanDerWaalsContact O-N 3.16Å
20	P	96.6	Very high	96	Very high	18 Å²	18	47.6 Å²	47.6	12%	0.117	26%	0.262	C	S	.	.			trans	-48.7	126.1	169.9	-25.2	33	0	0	0	110.9	T6 Y25 V55	T6-P20 HydrophobicContact CG2-CG 3.84Å; P20-Y25 HydrophobicContact CB-CE1 4.32Å; P20-V55 HydrophobicContact CB-CB 4.32Å; P20-V55 HydrophobicContact CB-CG1 4.06Å; P20-V55 HydrophobicContact CB-CG2 4.3Å; P20-V55 HydrophobicContact CG-CB 3.95Å; P20-V55 HydrophobicContact CG-CG1 4.08Å; P20-V55 HydrophobicContact CG-CG2 4.2Å
21	S	95	Very high	96.2	Very high	29 Å²	29	42.5 Å²	42.5	20%	0.203	23%	0.226	C	C	.	.			trans	-133.2	-177.9	-175.1	113.4	0	0	0	0	111	Y18 P19 D23 S24 Y25	Y18-S21 WeakPolarHBondContact OH-CB 3.44Å; Y18-S21 PolarHBondContact OH-OG 3.46Å; P19-S21 PolarHBondContact O-N 3.24Å; P19-S21 VanDerWaalsContact O-N 3.16Å; S21-D23 PolarHBondContact O-N 3.34Å; S21-D23 VanDerWaalsContact O-N 3.17Å; S21-D23 PolarHBondContact OG-OD1 2.93Å; S21-S24 PolarHBondContact N-OG 2.75Å; S21-S24 WeakPolarHBondContact O-CA 3.26Å; S21-S24 VanDerWaalsContact O-CB 3.26Å; S21-S24 WeakPolarHBondContact O-CB 3.49Å; S21-S24 PolarHBondContact O-N 3.42Å; S21-Y25 VanDerWaalsContact C-CD2 3.43Å; S21-Y25 WeakPolarHBondContact O-CD2 3.42Å; S21-Y25 PolarHBondContact O-N 3.32Å
22	E	95.3	Very high	96.2	Very high	87 Å²	87	42.6 Å²	42.6	41%	0.407	23%	0.227	S	C	.	.	H	α-helix	trans	-50.3	-37.1	180	-68.6	-60.5	143.6	0	0	114.1	L26 R205 V207	E22-L26 WeakPolarHBondContact O-CB 3.49Å; E22-L26 PolarHBondContact O-N 3.4Å; E22-R205 IonicContact OE2-NH1 3.62Å; E22-V207 HydrophobicContact CB-CB 4.4Å; E22-V207 HydrophobicContact CB-CG1 3.52Å; E22-V207 HydrophobicContact CB-CG2 3.94Å; E22-V207 HydrophobicContact CG-CG1 3.89Å
23	D	95.9	Very high	96.4	Very high	7 Å²	7	42.5 Å²	42.5	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-68.7	-39.8	176.6	62.9	-14.2	0	0	0	112.6	S21 L26 F27 N123 Y126 L175 L212	S21-D23 PolarHBondContact O-N 3.34Å; S21-D23 VanDerWaalsContact O-N 3.17Å; S21-D23 PolarHBondContact OG-OD1 2.93Å; D23-L26 PolarHBondContact O-N 3.5Å; D23-F27 PolarHBondContact O-N 2.87Å; D23-N123 PolarHBondContact OD2-ND2 2.87Å; D23-Y126 HydrophobicContact CB-CE1 4.16Å; D23-Y126 WeakPolarHBondContact CB-OH 3.28Å; D23-Y126 WeakPolarHBondContact OD2-CE1 3.48Å; D23-Y126 PolarHBondContact OD2-OH 3.35Å; D23-Y126 VanDerWaalsContact OD2-OH 3.11Å; D23-L175 HydrophobicContact CB-CD1 4.01Å; D23-L175 WeakPolarHBondContact O-CD1 3.23Å; D23-L212 HydrophobicContact CB-CD1 3.76Å
24	S	97.2	Very high	96.5	Very high	5 Å²	5	38.3 Å²	38.3	4%	0.035	20%	0.2	C	C	.	.	H	α-helix	trans	-63	-48.2	174.2	-50.5	0	0	0	0	109.4	S21 L26 F27 L28	S21-S24 PolarHBondContact N-OG 2.75Å; S21-S24 WeakPolarHBondContact O-CA 3.26Å; S21-S24 VanDerWaalsContact O-CB 3.26Å; S21-S24 WeakPolarHBondContact O-CB 3.49Å; S21-S24 PolarHBondContact O-N 3.42Å; S24-L26 PolarHBondContact O-N 2.97Å; S24-F27 WeakPolarHBondContact O-CA 3.46Å; S24-F27 VanDerWaalsContact O-CB 3.22Å; S24-F27 WeakPolarHBondContact O-CB 3.35Å; S24-F27 PolarHBondContact O-N 2.72Å; S24-L28 WeakPolarHBondContact O-CD1 3.46Å; S24-L28 PolarHBondContact O-N 2.91Å
25	Y	97.3	Very high	96.6	Very high	78 Å²	78	39.7 Å²	39.7	31%	0.306	21%	0.21	S	C	.	.	H	α-helix	trans	-66.4	-36.7	179.2	-59.9	-54.5	0	0	0	112.8	T3 P20 S21 F27 L28 D29	T3-Y25 HydrophobicContact CG2-CD1 4.42Å; T3-Y25 HydrophobicContact CG2-CE1 3.85Å; P20-Y25 HydrophobicContact CB-CE1 4.32Å; S21-Y25 VanDerWaalsContact C-CD2 3.43Å; S21-Y25 WeakPolarHBondContact O-CD2 3.42Å; S21-Y25 PolarHBondContact O-N 3.32Å; Y25-F27 PolarHBondContact O-N 3.21Å; Y25-L28 PolarHBondContact O-N 3.15Å; Y25-D29 VanDerWaalsContact O-CG 3.26Å; Y25-D29 PolarHBondContact O-N 2.9Å
26	L	97.8	Very high	96.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-57.5	-40.5	169.6	174.8	62.4	0	0	0	111.3	E22 D23 S24 D29 A30 L175 L203 R205 L212 V214	E22-L26 WeakPolarHBondContact O-CB 3.49Å; E22-L26 PolarHBondContact O-N 3.4Å; D23-L26 PolarHBondContact O-N 3.5Å; S24-L26 PolarHBondContact O-N 2.97Å; L26-D29 PolarHBondContact O-N 2.96Å; L26-A30 WeakPolarHBondContact O-CB 3.22Å; L26-A30 PolarHBondContact O-N 3.47Å; L26-L175 HydrophobicContact CD2-CD1 4.21Å; L26-L203 HydrophobicContact CD1-CB 4.22Å; L26-L203 HydrophobicContact CD1-CD2 3.77Å; L26-L203 HydrophobicContact CD1-CG 3.69Å; L26-R205 HydrophobicContact CD1-CB 3.8Å; L26-R205 HydrophobicContact CD2-CB 4.22Å; L26-L212 HydrophobicContact CD2-CB 3.51Å; L26-V214 HydrophobicContact CD2-CG2 4.43Å; L26-V214 HydrophobicContact CG-CG2 4.02Å
27	F	98.4	Very high	97	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-64.1	-45.6	175.8	-146	-68.6	0	0	0	112.4	D23 S24 Y25 D29 A30 L31 I56 M121 F122 N123 L175 V214	D23-F27 PolarHBondContact O-N 2.87Å; S24-F27 WeakPolarHBondContact O-CA 3.46Å; S24-F27 VanDerWaalsContact O-CB 3.22Å; S24-F27 WeakPolarHBondContact O-CB 3.35Å; S24-F27 PolarHBondContact O-N 2.72Å; Y25-F27 PolarHBondContact O-N 3.21Å; F27-D29 PolarHBondContact O-N 3.38Å; F27-A30 PolarHBondContact O-N 3.32Å; F27-L31 HydrophobicContact CD1-CD1 3.95Å; F27-L31 HydrophobicContact CD1-CG 4Å; F27-L31 HydrophobicContact CE1-CD1 4.17Å; F27-L31 HydrophobicContact CE1-CD2 4.24Å; F27-L31 HydrophobicContact CE1-CG 4.17Å; F27-L31 WeakPolarHBondContact O-CG 3.5Å; F27-L31 PolarHBondContact O-N 3.29Å; F27-I56 HydrophobicContact CB-CD1 3.82Å; F27-I56 HydrophobicContact CB-CG1 4.16Å; F27-I56 HydrophobicContact CD1-CD1 4.04Å; F27-I56 HydrophobicContact CD1-CG1 4.37Å; F27-I56 HydrophobicContact CD1-CG2 3.77Å; F27-I56 HydrophobicContact CD2-CD1 4.02Å; F27-I56 HydrophobicContact CE1-CG2 4.02Å; F27-I56 HydrophobicContact CG-CD1 3.69Å; F27-I56 HydrophobicContact CG-CG1 4.31Å; F27-I56 HydrophobicContact CG-CG2 4.5Å; F27-M121 HydrophobicContact CE1-CB 4.22Å; F27-M121 HydrophobicContact CE1-CG 4.41Å; F27-M121 HydrophobicContact CE1-SD 4.35Å; F27-M121 HydrophobicContact CZ-CB 4.07Å; F27-F122 WeakPolarHBondContact CE2-O 3.41Å; F27-N123 HydrophobicContact CD2-CB 4.08Å; F27-N123 HydrophobicContact CE2-CB 4.36Å; F27-L175 HydrophobicContact CD2-CB 3.95Å; F27-L175 HydrophobicContact CD2-CD1 4.35Å; F27-L175 HydrophobicContact CE2-CB 4.07Å; F27-V214 HydrophobicContact CB-CG2 4.49Å; F27-V214 HydrophobicContact CD2-CG2 4.09Å; F27-V214 HydrophobicContact CE2-CG1 4.43Å; F27-V214 HydrophobicContact CG-CG2 4.33Å
28	L	98.4	Very high	97.1	Very high	4 Å²	4	35 Å²	35	2%	0.021	19%	0.19	C	C	.	.	H	α-helix	trans	-58.4	-48.2	175.6	-84.3	72.1	0	0	0	111	T3 S24 Y25 A30 L31 E32 V55 I56 F59	T3-L28 HydrophobicContact CG2-CD2 4.27Å; S24-L28 WeakPolarHBondContact O-CD1 3.46Å; S24-L28 PolarHBondContact O-N 2.91Å; Y25-L28 PolarHBondContact O-N 3.15Å; L28-A30 VanDerWaalsContact C-N 3.3Å; L28-A30 PolarHBondContact O-N 3.3Å; L28-L31 PolarHBondContact O-N 2.81Å; L28-E32 PolarHBondContact O-N 2.88Å; L28-V55 HydrophobicContact CD1-CG1 4.35Å; L28-V55 HydrophobicContact CD1-CG2 4.37Å; L28-V55 HydrophobicContact CD2-CG2 4.31Å; L28-I56 HydrophobicContact CD1-CG1 3.9Å; L28-F59 HydrophobicContact CB-CD1 3.97Å; L28-F59 HydrophobicContact CB-CE1 4Å; L28-F59 HydrophobicContact CB-CG 4.33Å; L28-F59 HydrophobicContact CB-CZ 4.39Å; L28-F59 HydrophobicContact CD2-CB 3.87Å; L28-F59 HydrophobicContact CD2-CD1 4.24Å; L28-F59 HydrophobicContact CD2-CD2 3.83Å; L28-F59 HydrophobicContact CD2-CE2 4.36Å; L28-F59 HydrophobicContact CD2-CG 3.73Å; L28-F59 HydrophobicContact CG-CB 3.81Å; L28-F59 HydrophobicContact CG-CD1 3.68Å; L28-F59 HydrophobicContact CG-CD2 4.2Å; L28-F59 HydrophobicContact CG-CE1 4.21Å; L28-F59 HydrophobicContact CG-CG 3.64Å; L28-F59 VanDerWaalsContact O-CE1 3.27Å; L28-F59 WeakPolarHBondContact O-CE1 3.3Å
29	D	98.1	Very high	97.2	Very high	59 Å²	59	35.3 Å²	35.3	32%	0.316	20%	0.201	S	C	.	.	H	α-helix	trans	-62.3	-37.7	179.8	-68.8	-20.6	0	0	0	111.8	Y25 L26 F27 E32 L33 L203 R205	Y25-D29 VanDerWaalsContact O-CG 3.26Å; Y25-D29 PolarHBondContact O-N 2.9Å; L26-D29 PolarHBondContact O-N 2.96Å; F27-D29 PolarHBondContact O-N 3.38Å; D29-E32 PolarHBondContact O-N 3.01Å; D29-L33 VanDerWaalsContact O-CB 3.29Å; D29-L33 WeakPolarHBondContact O-CB 3.48Å; D29-L33 PolarHBondContact O-N 2.86Å; D29-L203 HydrophobicContact CB-CD2 3.49Å; D29-L203 VanDerWaalsContact CB-CD2 3.49Å; D29-R205 IonicContact OD2-CZ 3.59Å; D29-R205 IonicContact OD2-NH1 3.68Å; D29-R205 IonicContact OD2-NH2 2.7Å; D29-R205 PolarHBondContact OD2-NH2 2.98Å
30	A	98.5	Very high	97.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-42.1	175.1	0	0	0	0	0	112.1	L26 F27 L28 L33 D34 I202 L203 V214	L26-A30 WeakPolarHBondContact O-CB 3.22Å; L26-A30 PolarHBondContact O-N 3.47Å; F27-A30 PolarHBondContact O-N 3.32Å; L28-A30 VanDerWaalsContact C-N 3.3Å; L28-A30 PolarHBondContact O-N 3.3Å; A30-L33 PolarHBondContact O-N 3.37Å; A30-D34 WeakPolarHBondContact O-CB 3.36Å; A30-D34 PolarHBondContact O-N 3.04Å; A30-I202 HydrophobicContact CB-CB 4.34Å; A30-I202 HydrophobicContact CB-CG2 3.83Å; A30-I202 WeakPolarHBondContact O-CG2 3.29Å; A30-L203 HydrophobicContact CB-CB 4.01Å; A30-V214 HydrophobicContact CB-CB 3.63Å; A30-V214 HydrophobicContact CB-CG1 3.64Å; A30-V214 HydrophobicContact CB-CG2 3.92Å
31	L	98.5	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-40.7	175.3	-68.1	176.2	0	0	0	111.8	F27 L28 D34 S35 L38 I56 F59 I64 M121 Y173	F27-L31 HydrophobicContact CD1-CD1 3.95Å; F27-L31 HydrophobicContact CD1-CG 4Å; F27-L31 HydrophobicContact CE1-CD1 4.17Å; F27-L31 HydrophobicContact CE1-CD2 4.24Å; F27-L31 HydrophobicContact CE1-CG 4.17Å; F27-L31 WeakPolarHBondContact O-CG 3.5Å; F27-L31 PolarHBondContact O-N 3.29Å; L28-L31 PolarHBondContact O-N 2.81Å; L31-D34 CarbonylContact O-C 3.55Å; L31-D34 PolarHBondContact O-N 3.06Å; L31-S35 PolarHBondContact O-N 3.4Å; L31-L38 HydrophobicContact CD2-CD1 3.92Å; L31-I56 HydrophobicContact CD1-CG2 3.92Å; L31-F59 HydrophobicContact CB-CD1 4.5Å; L31-F59 HydrophobicContact CB-CE1 4.3Å; L31-F59 HydrophobicContact CD1-CD1 4.45Å; L31-I64 HydrophobicContact CB-CD1 4.32Å; L31-I64 HydrophobicContact CB-CG1 4.39Å; L31-M121 HydrophobicContact CD1-SD 4.06Å; L31-M121 HydrophobicContact CD2-SD 4.23Å; L31-Y173 HydrophobicContact CD2-CD1 4Å; L31-Y173 HydrophobicContact CD2-CE1 4.12Å; L31-Y173 HydrophobicContact CD2-CG 4.26Å
32	E	98.1	Very high	97.3	Very high	72 Å²	72	49.1 Å²	49.1	34%	0.336	25%	0.247	S	C	.	.	H	α-helix	trans	-63.4	-46.2	176.2	178.9	159.3	-170.2	0	0	111.3	M1 L28 D29 D34 S35 F59 I64	M1-E32 HydrophobicContact CE-CG 4.25Å; M1-E32 HydrophobicContact CG-CG 4.42Å; M1-E32 PolarHBondContact N-OE1 2.84Å; M1-E32 PolarHBondContact N-OE2 3.28Å; M1-E32 HydrophobicContact SD-CB 4.18Å; M1-E32 HydrophobicContact SD-CG 3.89Å; L28-E32 PolarHBondContact O-N 2.88Å; D29-E32 PolarHBondContact O-N 3.01Å; E32-D34 PolarHBondContact O-N 3.28Å; E32-S35 VanDerWaalsContact O-CB 3.24Å; E32-S35 WeakPolarHBondContact O-CB 3.29Å; E32-S35 PolarHBondContact O-N 2.79Å; E32-S35 PolarHBondContact O-OG 3.22Å; E32-F59 HydrophobicContact CB-CE1 4.32Å; E32-F59 HydrophobicContact CB-CZ 4.13Å; E32-I64 HydrophobicContact CB-CD1 4.4Å
33	L	98.1	Very high	97.3	Very high	113 Å²	113	45.4 Å²	45.4	59%	0.592	23%	0.23	S	C	*	.	H	α-helix	trans	-60.1	-35.2	177.5	-178.6	61.6	0	0	0	112.3	D29 A30 I202 L203	D29-L33 VanDerWaalsContact O-CB 3.29Å; D29-L33 WeakPolarHBondContact O-CB 3.48Å; D29-L33 PolarHBondContact O-N 2.86Å; A30-L33 PolarHBondContact O-N 3.37Å; L33-I202 HydrophobicContact CD2-CG2 4.34Å; L33-I202 VanDerWaalsContact CD2-O 3.29Å; L33-I202 WeakPolarHBondContact CD2-O 3.4Å; L33-L203 HydrophobicContact CD2-CB 4.47Å; L33-L203 HydrophobicContact CD2-CD1 4.42Å
34	D	98	Very high	97.4	Very high	14 Å²	14	48.9 Å²	48.9	8%	0.075	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.1	12.6	-176.2	-149.5	22.5	0	0	0	113.6	A30 L31 E32 G36 F37 L38 Y173 I202 R216	A30-D34 WeakPolarHBondContact O-CB 3.36Å; A30-D34 PolarHBondContact O-N 3.04Å; L31-D34 CarbonylContact O-C 3.55Å; L31-D34 PolarHBondContact O-N 3.06Å; E32-D34 PolarHBondContact O-N 3.28Å; D34-G36 PolarHBondContact O-N 2.93Å; D34-G36 VanDerWaalsContact O-N 3.16Å; D34-F37 WeakPolarHBondContact O-CB 3.33Å; D34-F37 PolarHBondContact O-N 2.66Å; D34-F37 WeakPolarHBondContact OD1-CB 3.38Å; D34-L38 PolarHBondContact O-N 2.77Å; D34-L38 VanDerWaalsContact O-N 3.15Å; D34-Y173 HydrophobicContact CB-CE1 4.31Å; D34-Y173 WeakPolarHBondContact OD2-CE1 3.46Å; D34-Y173 PolarHBondContact OD2-OH 2.82Å; D34-I202 HydrophobicContact CB-CG2 3.93Å; D34-I202 WeakPolarHBondContact OD2-CD1 3.29Å; D34-R216 IonicContact OD1-NH1 2.75Å; D34-R216 PolarHBondContact OD1-NH1 3.15Å; D34-R216 WeakPolarHBondContact OD2-CD 3.32Å; D34-R216 IonicContact OD2-CZ 3.7Å; D34-R216 IonicContact OD2-NE 3.61Å; D34-R216 IonicContact OD2-NH1 3.78Å; D34-R216 PolarHBondContact OD2-NH1 3.15Å
35	S	97.3	Very high	97.4	Very high	32 Å²	32	49.8 Å²	49.8	22%	0.224	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-30.4	-177.8	56.4	0	0	0	0	113.9	L31 E32 L38 S39	L31-S35 PolarHBondContact O-N 3.4Å; E32-S35 VanDerWaalsContact O-CB 3.24Å; E32-S35 WeakPolarHBondContact O-CB 3.29Å; E32-S35 PolarHBondContact O-N 2.79Å; E32-S35 PolarHBondContact O-OG 3.22Å; S35-L38 PolarHBondContact O-N 3.07Å; S35-S39 WeakPolarHBondContact O-CB 3.29Å; S35-S39 PolarHBondContact O-N 3.25Å; S35-S39 PolarHBondContact O-OG 2.84Å
36	G	97.2	Very high	97.5	Very high	43 Å²	43	46 Å²	46	44%	0.443	24%	0.241	S	C	.	.	H	α-helix	trans	-62.1	-47.7	174.2	0	0	0	0	0	112.4	D34 S39 E40	D34-G36 PolarHBondContact O-N 2.93Å; D34-G36 VanDerWaalsContact O-N 3.16Å; G36-S39 WeakPolarHBondContact O-CB 3.38Å; G36-S39 PolarHBondContact O-N 3.39Å; G36-E40 PolarHBondContact O-N 3.22Å; G36-E40 VanDerWaalsContact O-N 3.12Å
37	F	97.7	Very high	97.6	Very high	51 Å²	51	46.1 Å²	46.1	22%	0.224	24%	0.242	C	C	.	.	H	α-helix	trans	-63.2	-44.3	175.4	171.3	-91.3	0	0	0	111.5	D34 S39 E40 L41 C171 R216	D34-F37 WeakPolarHBondContact O-CB 3.33Å; D34-F37 PolarHBondContact O-N 2.66Å; D34-F37 WeakPolarHBondContact OD1-CB 3.38Å; F37-S39 VanDerWaalsContact C-N 3.26Å; F37-S39 PolarHBondContact O-N 2.79Å; F37-E40 PolarHBondContact O-N 2.7Å; F37-E40 VanDerWaalsContact O-N 3.14Å; F37-L41 HydrophobicContact CE1-CD2 4.39Å; F37-L41 PolarHBondContact O-N 2.98Å; F37-C171 HydrophobicContact CE1-CB 4.36Å; F37-C171 HydrophobicContact CZ-CB 4.47Å; F37-R216 VanDerWaalsContact CB-NH1 3.29Å; F37-R216 VanDerWaalsContact CD1-NH1 3.26Å; F37-R216 VanDerWaalsContact CD2-CZ 3.46Å; F37-R216 VanDerWaalsContact CD2-NH1 3.31Å
38	L	97.5	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.8	-36.2	178.6	-68.8	171.8	0	0	0	111.9	L31 D34 S35 L41 R42 I64 L65 L119 Y173	L31-L38 HydrophobicContact CD2-CD1 3.92Å; D34-L38 PolarHBondContact O-N 2.77Å; D34-L38 VanDerWaalsContact O-N 3.15Å; S35-L38 PolarHBondContact O-N 3.07Å; L38-L41 PolarHBondContact O-N 3.31Å; L38-R42 PolarHBondContact O-N 3.37Å; L38-I64 HydrophobicContact CB-CG2 4.3Å; L38-I64 HydrophobicContact CD1-CG2 3.68Å; L38-L65 HydrophobicContact CB-CD1 4.05Å; L38-L65 HydrophobicContact CB-CD2 3.99Å; L38-L65 HydrophobicContact CB-CG 4.31Å; L38-L65 HydrophobicContact CD2-CD1 4.29Å; L38-L119 HydrophobicContact CD2-CD1 4.27Å; L38-L119 HydrophobicContact CD2-CD2 4.08Å; L38-Y173 HydrophobicContact CD2-CE2 3.77Å
39	S	95.7	Very high	97.6	Very high	64 Å²	64	46.1 Å²	46.1	45%	0.448	24%	0.242	S	C	.	.	H	α-helix	trans	-67.4	-34.9	175.4	-62.7	0	0	0	0	112.7	S35 G36 F37 R42	S35-S39 WeakPolarHBondContact O-CB 3.29Å; S35-S39 PolarHBondContact O-N 3.25Å; S35-S39 PolarHBondContact O-OG 2.84Å; G36-S39 WeakPolarHBondContact O-CB 3.38Å; G36-S39 PolarHBondContact O-N 3.39Å; F37-S39 VanDerWaalsContact C-N 3.26Å; F37-S39 PolarHBondContact O-N 2.79Å; S39-R42 WeakPolarHBondContact O-CG 3.49Å
40	E	96.6	Very high	97.6	Very high	160 Å²	160	44.6 Å²	44.6	75%	0.748	24%	0.24	S	C	*	.	H	α-helix	trans	-72.7	-38.7	174.8	-72.2	178	-179.5	0	0	112.1	G36 F37 R42	G36-E40 PolarHBondContact O-N 3.22Å; G36-E40 VanDerWaalsContact O-N 3.12Å; F37-E40 PolarHBondContact O-N 2.7Å; F37-E40 VanDerWaalsContact O-N 3.14Å; E40-R42 VanDerWaalsContact C-N 3.29Å; E40-R42 PolarHBondContact O-N 3.19Å
41	L	96.2	Very high	97.6	Very high	39 Å²	39	44.8 Å²	44.8	20%	0.204	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-36.8	177.4	179.7	65.8	0	0	0	112.4	F37 L38 P43 H169	F37-L41 HydrophobicContact CE1-CD2 4.39Å; F37-L41 PolarHBondContact O-N 2.98Å; L38-L41 PolarHBondContact O-N 3.31Å; L41-P43 HydrophobicContact CD2-CB 4.25Å; L41-P43 HydrophobicContact CD2-CG 4.32Å; L41-P43 HydrophobicContact CG-CB 4.4Å; L41-H169 VanDerWaalsContact CD1-O 3.29Å; L41-H169 WeakPolarHBondContact CD1-O 3.5Å
42	R	95	Very high	97.5	Very high	204 Å²	204	45.5 Å²	45.5	77%	0.77	25%	0.249	S	C	*	.			trans	47.5	55.8	-176.7	-60.4	-175	179.3	137.8	1.5	113	L38 S39 E40 T44	L38-R42 PolarHBondContact O-N 3.37Å; S39-R42 WeakPolarHBondContact O-CG 3.49Å; E40-R42 VanDerWaalsContact C-N 3.29Å; E40-R42 PolarHBondContact O-N 3.19Å; R42-T44 PolarHBondContact O-N 3.36Å
43	P	96.6	Very high	97.5	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.052	24%	0.235	C	C	.	.			trans	-64.5	136.4	-175.4	28.8	-34.8	0	0	0	111.1	L41 T46 L65 D118 L119	L41-P43 HydrophobicContact CD2-CB 4.25Å; L41-P43 HydrophobicContact CD2-CG 4.32Å; L41-P43 HydrophobicContact CG-CB 4.4Å; P43-T46 HydrophobicContact CB-CG2 3.83Å; P43-T46 HydrophobicContact CG-CG2 3.98Å; P43-L65 HydrophobicContact CG-CD1 3.41Å; P43-L65 VanDerWaalsContact CG-CD1 3.41Å; P43-D118 HydrophobicContact CB-CB 3.41Å; P43-D118 VanDerWaalsContact CB-CB 3.41Å; P43-L119 HydrophobicContact CB-CB 4.25Å
44	T	97	Very high	97.5	Very high	81 Å²	81	37 Å²	37	50%	0.497	21%	0.207	S	C	.	.	S	Bend	trans	-93.4	-40.2	177.5	62.3	0	0	0	0	111.4	R42 L68 F69 D118	R42-T44 PolarHBondContact O-N 3.36Å; T44-L68 WeakPolarHBondContact O-CB 3.47Å; T44-L68 PolarHBondContact O-N 3.12Å; T44-F69 PolarHBondContact O-N 2.88Å; T44-D118 PolarHBondContact N-OD2 2.66Å; T44-D118 PolarHBondContact OG1-OD2 3.34Å
45	L	98.4	Very high	97.5	Very high	23 Å²	23	36.5 Å²	36.5	12%	0.12	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.2	177	179.2	61	0	0	0	110.1	F69 I71 L113 V117 D118 L119	L45-F69 WeakPolarHBondContact CA-O 3.33Å; L45-F69 HydrophobicContact CD1-CB 3.96Å; L45-F69 HydrophobicContact CD1-CD1 3.96Å; L45-F69 HydrophobicContact CD1-CG 4.41Å; L45-I71 HydrophobicContact CD1-CD1 3.98Å; L45-I71 HydrophobicContact CD1-CG1 4.32Å; L45-L113 HydrophobicContact CD2-CD1 4.34Å; L45-L113 HydrophobicContact CD2-CD2 3.98Å; L45-V117 HydrophobicContact CD2-CG2 3.92Å; L45-V117 HydrophobicContact CG-CG2 4.31Å; L45-D118 PolarHBondContact N-OD2 3.22Å; L45-D118 PolarHBondContact O-N 2.85Å; L45-L119 PolarHBondContact O-N 3.45Å
46	T	98.7	Very high	97.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149	-179.6	63.4	0	0	0	0	110.8	P43 L60 P67 F69 H70 I71 L119	P43-T46 HydrophobicContact CB-CG2 3.83Å; P43-T46 HydrophobicContact CG-CG2 3.98Å; T46-L60 HydrophobicContact CG2-CD2 4.47Å; T46-P67 HydrophobicContact CG2-CB 3.64Å; T46-P67 HydrophobicContact CG2-CG 4.05Å; T46-F69 PolarHBondContact N-O 2.99Å; T46-H70 WeakPolarHBondContact O-CA 3.49Å; T46-H70 WeakPolarHBondContact OG1-CB 3.48Å; T46-H70 PolarHBondContact OG1-ND1 2.97Å; T46-I71 PolarHBondContact O-N 3.24Å; T46-L119 CarbonylContact C-O 3.47Å; T46-L119 WeakPolarHBondContact CA-O 3.39Å; T46-L119 HydrophobicContact CG2-CB 3.89Å; T46-L119 HydrophobicContact CG2-CD2 4.16Å; T46-L119 HydrophobicContact CG2-CG 4.48Å
47	L	98.8	Very high	97.6	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	125.7	-177.1	174.1	63.4	0	0	0	110.5	V49 I71 T73 A106 L109 V117 L119 V120 M121 L165	L47-V49 HydrophobicContact CD2-CG2 4.05Å; L47-V49 HydrophobicContact CG-CG2 4.06Å; L47-I71 CarbonylContact C-O 3.55Å; L47-I71 VanDerWaalsContact CA-O 3.27Å; L47-I71 WeakPolarHBondContact CA-O 3.29Å; L47-I71 HydrophobicContact CD1-CB 3.83Å; L47-I71 HydrophobicContact CD1-CG2 3.67Å; L47-T73 HydrophobicContact CD1-CG2 3.92Å; L47-A106 HydrophobicContact CD2-CB 3.95Å; L47-L109 HydrophobicContact CD1-CD1 4.33Å; L47-V117 HydrophobicContact CB-CG1 3.83Å; L47-L119 PolarHBondContact N-O 3.06Å; L47-V120 HydrophobicContact CD2-CG1 4.46Å; L47-V120 CarbonylContact O-C 3.53Å; L47-V120 WeakPolarHBondContact O-CA 3.4Å; L47-M121 PolarHBondContact O-N 3.2Å; L47-L165 HydrophobicContact CD2-CD1 3.76Å
48	E	98.9	Very high	97.6	Very high	3 Å²	3	30.7 Å²	30.7	1%	0.014	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	128.3	160.2	-174.8	176.9	-157.9	0	0	109.9	S51 I56 S57 I71 C72 T73 M121	E48-S51 WeakPolarHBondContact OE2-CB 3.38Å; E48-I56 WeakPolarHBondContact OE1-CB 3.24Å; E48-S57 VanDerWaalsContact CB-OG 3.28Å; E48-S57 WeakPolarHBondContact CB-OG 3.48Å; E48-S57 VanDerWaalsContact OE2-CB 3.23Å; E48-S57 WeakPolarHBondContact OE2-CB 3.38Å; E48-S57 PolarHBondContact OE2-N 3.1Å; E48-S57 PolarHBondContact OE2-OG 3.05Å; E48-I71 PolarHBondContact N-O 3.38Å; E48-C72 CarbonylContact O-C 3.52Å; E48-T73 PolarHBondContact O-N 2.92Å; E48-T73 PolarHBondContact O-OG1 3.15Å; E48-M121 WeakPolarHBondContact CA-O 3.22Å; E48-M121 HydrophobicContact CB-CE 4.04Å
49	V	98.8	Very high	97.6	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	134.3	170.7	-177	0	0	0	0	109.2	L47 T73 L105 A106 V120 M121 F122 F158	L47-V49 HydrophobicContact CD2-CG2 4.05Å; L47-V49 HydrophobicContact CG-CG2 4.06Å; V49-T73 WeakPolarHBondContact CA-OG1 3.36Å; V49-L105 HydrophobicContact CG1-CB 4.25Å; V49-L105 HydrophobicContact CG1-CD2 3.82Å; V49-A106 HydrophobicContact CG2-CB 4.4Å; V49-V120 HydrophobicContact CG2-CG1 4.44Å; V49-M121 PolarHBondContact N-O 3.15Å; V49-F122 HydrophobicContact CB-CB 4.46Å; V49-F122 HydrophobicContact CB-CD2 4.05Å; V49-F122 HydrophobicContact CB-CE2 4.39Å; V49-F122 HydrophobicContact CB-CG 4.22Å; V49-F122 HydrophobicContact CG1-CD2 4.18Å; V49-F122 HydrophobicContact CG1-CE2 4.02Å; V49-F122 HydrophobicContact CG1-CZ 4.25Å; V49-F122 WeakPolarHBondContact O-CD2 3.43Å; V49-F158 HydrophobicContact CB-CD2 4.27Å; V49-F158 HydrophobicContact CB-CE2 4.14Å; V49-F158 HydrophobicContact CG1-CD2 4.3Å; V49-F158 HydrophobicContact CG2-CD2 4.15Å; V49-F158 HydrophobicContact CG2-CE2 3.88Å
50	G	98	Very high	97.7	Very high	27 Å²	27	27.8 Å²	27.8	28%	0.278	14%	0.142	S	C	.	.	S	Bend	trans	64.4	53.5	-177	0	0	0	0	0	112.3	G52 T73	G50-G52 PolarHBondContact O-N 3.22Å; G50-T73 WeakPolarHBondContact CA-O 3.48Å; G50-T73 PolarHBondContact N-O 3.18Å
51	S	98.3	Very high	97.7	Very high	4 Å²	4	20.3 Å²	20.3	3%	0.028	11%	0.107	C	C	.	.			trans	-65	-22.3	-170.2	62.8	0	0	0	0	114.4	E48 S53 G54 T73 D74 S83	E48-S51 WeakPolarHBondContact OE2-CB 3.38Å; S51-S53 PolarHBondContact O-N 2.7Å; S51-G54 WeakPolarHBondContact O-CA 3.34Å; S51-G54 PolarHBondContact O-N 2.81Å; S51-T73 PolarHBondContact N-O 3.07Å; S51-T73 VanDerWaalsContact N-O 3.13Å; S51-D74 PolarHBondContact N-OD2 3.16Å; S51-S83 WeakPolarHBondContact CB-OG 3.44Å; S51-S83 PolarHBondContact OG-OG 2.86Å
52	G	97.1	Very high	97.6	Very high	15 Å²	15	20.6 Å²	20.6	16%	0.155	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-113.2	174.8	0	0	0	0	0	112.4	G50 G54 D74 A79 S83	G50-G52 PolarHBondContact O-N 3.22Å; G52-G54 VanDerWaalsContact C-N 3.28Å; G52-G54 PolarHBondContact O-N 2.98Å; G52-D74 PolarHBondContact N-OD2 3.37Å; G52-A79 CarbonylContact O-C 3.56Å; G52-S83 PolarHBondContact O-OG 3.2Å
53	S	97.3	Very high	97.5	Very high	6 Å²	6	12.7 Å²	12.7	4%	0.042	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.8	176.1	61.9	0	0	0	0	114.6	S51 V55 V86	S51-S53 PolarHBondContact O-N 2.7Å; S53-V55 VanDerWaalsContact C-N 3.29Å; S53-V55 PolarHBondContact O-N 3.37Å; S53-V55 WeakPolarHBondContact OG-CG1 3.36Å; S53-V86 WeakPolarHBondContact O-CB 3.31Å; S53-V86 VanDerWaalsContact O-CG2 3.24Å; S53-V86 WeakPolarHBondContact O-CG2 3.47Å
54	G	98.3	Very high	97.3	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	74.8	11.3	-176.2	0	0	0	0	0	114.8	S51 G52 I56 S57 A58 S83	S51-G54 WeakPolarHBondContact O-CA 3.34Å; S51-G54 PolarHBondContact O-N 2.81Å; G52-G54 VanDerWaalsContact C-N 3.28Å; G52-G54 PolarHBondContact O-N 2.98Å; G54-I56 PolarHBondContact O-N 3.24Å; G54-S57 PolarHBondContact O-N 3.25Å; G54-A58 VanDerWaalsContact O-CB 3.28Å; G54-A58 WeakPolarHBondContact O-CB 3.33Å; G54-A58 PolarHBondContact O-N 3.34Å; G54-S83 WeakPolarHBondContact CA-OG 3.03Å; G54-S83 PolarHBondContact N-OG 2.99Å
55	V	98.5	Very high	97	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.018	7%	0.071	C	C	.	.	H	α-helix	trans	-64.9	-38.1	-176.3	68.2	0	0	0	0	113	P4 T6 P20 L28 S53 F59	P4-V55 HydrophobicContact CB-CG2 4.4Å; P4-V55 HydrophobicContact CG-CG2 4.23Å; T6-V55 HydrophobicContact CG2-CB 4.1Å; T6-V55 HydrophobicContact CG2-CG2 3.96Å; P20-V55 HydrophobicContact CB-CB 4.32Å; P20-V55 HydrophobicContact CB-CG1 4.06Å; P20-V55 HydrophobicContact CB-CG2 4.3Å; P20-V55 HydrophobicContact CG-CB 3.95Å; P20-V55 HydrophobicContact CG-CG1 4.08Å; P20-V55 HydrophobicContact CG-CG2 4.2Å; L28-V55 HydrophobicContact CD1-CG1 4.35Å; L28-V55 HydrophobicContact CD1-CG2 4.37Å; L28-V55 HydrophobicContact CD2-CG2 4.31Å; S53-V55 VanDerWaalsContact C-N 3.29Å; S53-V55 PolarHBondContact O-N 3.37Å; S53-V55 WeakPolarHBondContact OG-CG1 3.36Å; V55-F59 WeakPolarHBondContact O-CB 3.44Å; V55-F59 PolarHBondContact O-N 3.12Å
56	I	98.6	Very high	96.6	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.021	10%	0.099	C	C	.	.	H	α-helix	trans	-67.5	-48.8	179.2	-62.7	170.2	0	0	0	109.4	F27 L28 L31 E48 G54 A58 F59 L60 M121 N123	F27-I56 HydrophobicContact CB-CD1 3.82Å; F27-I56 HydrophobicContact CB-CG1 4.16Å; F27-I56 HydrophobicContact CD1-CD1 4.04Å; F27-I56 HydrophobicContact CD1-CG1 4.37Å; F27-I56 HydrophobicContact CD1-CG2 3.77Å; F27-I56 HydrophobicContact CD2-CD1 4.02Å; F27-I56 HydrophobicContact CE1-CG2 4.02Å; F27-I56 HydrophobicContact CG-CD1 3.69Å; F27-I56 HydrophobicContact CG-CG1 4.31Å; F27-I56 HydrophobicContact CG-CG2 4.5Å; L28-I56 HydrophobicContact CD1-CG1 3.9Å; L31-I56 HydrophobicContact CD1-CG2 3.92Å; E48-I56 WeakPolarHBondContact OE1-CB 3.24Å; G54-I56 PolarHBondContact O-N 3.24Å; I56-A58 PolarHBondContact O-N 3.26Å; I56-F59 PolarHBondContact O-N 2.97Å; I56-L60 WeakPolarHBondContact O-CB 3.44Å; I56-L60 PolarHBondContact O-N 3.25Å; I56-M121 HydrophobicContact CG2-CE 3.93Å; I56-M121 HydrophobicContact CG2-SD 4.08Å; I56-N123 HydrophobicContact CD1-CB 3.85Å
57	S	98.4	Very high	96.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-61.8	-41.3	176.4	-74.8	0	0	0	0	113.8	E48 G54 F59 L60 C61 H70 C72	E48-S57 VanDerWaalsContact CB-OG 3.28Å; E48-S57 WeakPolarHBondContact CB-OG 3.48Å; E48-S57 VanDerWaalsContact OE2-CB 3.23Å; E48-S57 WeakPolarHBondContact OE2-CB 3.38Å; E48-S57 PolarHBondContact OE2-N 3.1Å; E48-S57 PolarHBondContact OE2-OG 3.05Å; G54-S57 PolarHBondContact O-N 3.25Å; S57-F59 VanDerWaalsContact C-N 3.33Å; S57-F59 PolarHBondContact O-N 2.86Å; S57-L60 PolarHBondContact O-N 3.44Å; S57-C61 WeakPolarHBondContact O-CB 3.27Å; S57-C61 PolarHBondContact O-N 3.35Å; S57-C61 PolarHBondContact O-SG 2.94Å; S57-C61 VanDerWaalsContact O-SG 3.41Å; S57-H70 WeakPolarHBondContact CB-NE2 3.32Å; S57-H70 PolarHBondContact OG-CE1 3.05Å; S57-H70 PolarHBondContact OG-NE2 3.47Å; S57-C72 PolarHBondContact OG-SG 3Å
58	A	97.6	Very high	96.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-64.1	-39.2	174.7	0	0	0	0	0	111.9	P4 G54 I56 S62 V86 L87 N90	P4-A58 HydrophobicContact CB-CB 3.79Å; P4-A58 HydrophobicContact CG-CB 3.88Å; G54-A58 VanDerWaalsContact O-CB 3.28Å; G54-A58 WeakPolarHBondContact O-CB 3.33Å; G54-A58 PolarHBondContact O-N 3.34Å; I56-A58 PolarHBondContact O-N 3.26Å; A58-S62 WeakPolarHBondContact O-CB 3.06Å; A58-S62 PolarHBondContact O-N 3.32Å; A58-S62 PolarHBondContact O-OG 2.82Å; A58-V86 HydrophobicContact CB-CG1 3.68Å; A58-L87 HydrophobicContact CB-CD2 4.44Å; A58-N90 HydrophobicContact CB-CB 4.05Å
59	F	97.7	Very high	96.1	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-66.2	-47.1	175.4	-175.8	-110.1	0	0	0	111.8	M1 P4 L28 L31 E32 V55 I56 S57 C61 S62 S63 I64	M1-F59 HydrophobicContact CB-CE2 3.6Å; M1-F59 HydrophobicContact CB-CZ 3.78Å; M1-F59 HydrophobicContact CG-CZ 4.49Å; M1-F59 HydrophobicContact SD-CE1 4.48Å; M1-F59 HydrophobicContact SD-CE2 4.45Å; M1-F59 HydrophobicContact SD-CZ 3.87Å; P4-F59 HydrophobicContact CG-CB 3.73Å; P4-F59 HydrophobicContact CG-CD2 4.4Å; L28-F59 HydrophobicContact CB-CD1 3.97Å; L28-F59 HydrophobicContact CB-CE1 4Å; L28-F59 HydrophobicContact CB-CG 4.33Å; L28-F59 HydrophobicContact CB-CZ 4.39Å; L28-F59 HydrophobicContact CD2-CB 3.87Å; L28-F59 HydrophobicContact CD2-CD1 4.24Å; L28-F59 HydrophobicContact CD2-CD2 3.83Å; L28-F59 HydrophobicContact CD2-CE2 4.36Å; L28-F59 HydrophobicContact CD2-CG 3.73Å; L28-F59 HydrophobicContact CG-CB 3.81Å; L28-F59 HydrophobicContact CG-CD1 3.68Å; L28-F59 HydrophobicContact CG-CD2 4.2Å; L28-F59 HydrophobicContact CG-CE1 4.21Å; L28-F59 HydrophobicContact CG-CG 3.64Å; L28-F59 VanDerWaalsContact O-CE1 3.27Å; L28-F59 WeakPolarHBondContact O-CE1 3.3Å; L31-F59 HydrophobicContact CB-CD1 4.5Å; L31-F59 HydrophobicContact CB-CE1 4.3Å; L31-F59 HydrophobicContact CD1-CD1 4.45Å; E32-F59 HydrophobicContact CB-CE1 4.32Å; E32-F59 HydrophobicContact CB-CZ 4.13Å; V55-F59 WeakPolarHBondContact O-CB 3.44Å; V55-F59 PolarHBondContact O-N 3.12Å; I56-F59 PolarHBondContact O-N 2.97Å; S57-F59 VanDerWaalsContact C-N 3.33Å; S57-F59 PolarHBondContact O-N 2.86Å; F59-C61 PolarHBondContact O-N 2.88Å; F59-S62 PolarHBondContact O-N 2.91Å; F59-S63 VanDerWaalsContact O-CB 3.32Å; F59-S63 WeakPolarHBondContact O-CB 3.32Å; F59-S63 PolarHBondContact O-N 2.94Å; F59-I64 HydrophobicContact CD1-CD1 4.21Å; F59-I64 HydrophobicContact CD1-CG1 3.88Å; F59-I64 HydrophobicContact CE1-CD1 3.53Å; F59-I64 HydrophobicContact CE1-CG1 3.74Å; F59-I64 HydrophobicContact CZ-CD1 4.03Å; F59-I64 HydrophobicContact CZ-CG1 4.47Å; F59-I64 PolarHBondContact O-N 2.51Å
60	L	96.9	Very high	96.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	I	π-helix	trans	-53.6	-55.4	176.2	-177	77.8	0	0	0	110.7	T46 I56 S57 I64 L65 L119 M121	T46-L60 HydrophobicContact CG2-CD2 4.47Å; I56-L60 WeakPolarHBondContact O-CB 3.44Å; I56-L60 PolarHBondContact O-N 3.25Å; S57-L60 PolarHBondContact O-N 3.44Å; L60-I64 HydrophobicContact CD1-CB 4.21Å; L60-I64 HydrophobicContact CD1-CG2 4.42Å; L60-I64 PolarHBondContact O-N 3.14Å; L60-I64 VanDerWaalsContact O-N 3.11Å; L60-L65 HydrophobicContact CD1-CB 4.38Å; L60-L65 HydrophobicContact CD1-CD1 3.72Å; L60-L65 HydrophobicContact CD1-CG 4.1Å; L60-L65 HydrophobicContact CG-CB 4.48Å; L60-L65 HydrophobicContact CG-CD1 4.46Å; L60-L65 PolarHBondContact O-N 3.38Å; L60-L65 VanDerWaalsContact O-O 3.12Å; L60-L119 HydrophobicContact CD1-CD2 3.91Å; L60-L119 HydrophobicContact CD2-CD2 3.99Å; L60-M121 HydrophobicContact CB-CE 4.4Å; L60-M121 HydrophobicContact CD1-SD 4.27Å; L60-M121 HydrophobicContact CD2-CE 3.64Å; L60-M121 HydrophobicContact CD2-SD 4.04Å; L60-M121 HydrophobicContact CG-CE 4.49Å
61	C	96.4	Very high	96.1	Very high	2 Å²	2	25.3 Å²	25.3	1%	0.014	13%	0.134	C	C	.	.	I	π-helix	trans	-76.6	-22.1	-172.2	-67.4	0	0	0	0	114.6	S57 F59 L65 H70 V91 V96	S57-C61 WeakPolarHBondContact O-CB 3.27Å; S57-C61 PolarHBondContact O-N 3.35Å; S57-C61 PolarHBondContact O-SG 2.94Å; S57-C61 VanDerWaalsContact O-SG 3.41Å; F59-C61 PolarHBondContact O-N 2.88Å; C61-L65 CarbonylContact C-O 3.54Å; C61-H70 VanDerWaalsContact SG-CG 3.52Å; C61-V91 HydrophobicContact CB-CG1 4.07Å; C61-V91 HydrophobicContact CB-CG2 3.62Å; C61-V96 HydrophobicContact CB-CG1 4.42Å; C61-V96 HydrophobicContact CB-CG2 4.3Å
62	S	94.7	Very high	96.1	Very high	45 Å²	45	25.1 Å²	25.1	32%	0.315	13%	0.133	S	C	.	.	I	π-helix	trans	-93.8	-32.3	178.5	65.4	0	0	0	0	113.2	A58 F59 N90	A58-S62 WeakPolarHBondContact O-CB 3.06Å; A58-S62 PolarHBondContact O-N 3.32Å; A58-S62 PolarHBondContact O-OG 2.82Å; F59-S62 PolarHBondContact O-N 2.91Å; S62-N90 WeakPolarHBondContact CB-O 3.14Å
63	S	92.2	Very high	96.2	Very high	39 Å²	39	24.5 Å²	24.5	27%	0.273	13%	0.126	S	C	.	.	I	π-helix	trans	-125.2	-29.3	-163.9	-61.6	0	0	0	0	115.1	F59	F59-S63 VanDerWaalsContact O-CB 3.32Å; F59-S63 WeakPolarHBondContact O-CB 3.32Å; F59-S63 PolarHBondContact O-N 2.94Å
64	I	92.1	Very high	96.3	Very high	19 Å²	19	25 Å²	25	10%	0.097	13%	0.128	C	C	.	.	I	π-helix	trans	-103.6	-54.8	-173.9	-48.9	-76.6	0	0	0	111.2	M1 L31 E32 L38 F59 L60	M1-I64 HydrophobicContact CE-CD1 3.72Å; M1-I64 HydrophobicContact SD-CD1 3.17Å; M1-I64 WeakPolarHBondContact SD-CD1 3.23Å; M1-I64 HydrophobicContact SD-CG1 4.22Å; L31-I64 HydrophobicContact CB-CD1 4.32Å; L31-I64 HydrophobicContact CB-CG1 4.39Å; E32-I64 HydrophobicContact CB-CD1 4.4Å; L38-I64 HydrophobicContact CB-CG2 4.3Å; L38-I64 HydrophobicContact CD1-CG2 3.68Å; F59-I64 HydrophobicContact CD1-CD1 4.21Å; F59-I64 HydrophobicContact CD1-CG1 3.88Å; F59-I64 HydrophobicContact CE1-CD1 3.53Å; F59-I64 HydrophobicContact CE1-CG1 3.74Å; F59-I64 HydrophobicContact CZ-CD1 4.03Å; F59-I64 HydrophobicContact CZ-CG1 4.47Å; F59-I64 PolarHBondContact O-N 2.51Å; L60-I64 HydrophobicContact CD1-CB 4.21Å; L60-I64 HydrophobicContact CD1-CG2 4.42Å; L60-I64 PolarHBondContact O-N 3.14Å; L60-I64 VanDerWaalsContact O-N 3.11Å
65	L	91.3	Very high	96.2	Very high	17 Å²	17	29.7 Å²	29.7	9%	0.089	15%	0.153	C	C	.	.			trans	-131.5	161.1	-170.9	-63	176.4	0	0	0	111.2	L38 P43 L60 C61 P67 L119	L38-L65 HydrophobicContact CB-CD1 4.05Å; L38-L65 HydrophobicContact CB-CD2 3.99Å; L38-L65 HydrophobicContact CB-CG 4.31Å; L38-L65 HydrophobicContact CD2-CD1 4.29Å; P43-L65 HydrophobicContact CG-CD1 3.41Å; P43-L65 VanDerWaalsContact CG-CD1 3.41Å; L60-L65 HydrophobicContact CD1-CB 4.38Å; L60-L65 HydrophobicContact CD1-CD1 3.72Å; L60-L65 HydrophobicContact CD1-CG 4.1Å; L60-L65 HydrophobicContact CG-CB 4.48Å; L60-L65 HydrophobicContact CG-CD1 4.46Å; L60-L65 PolarHBondContact O-N 3.38Å; L60-L65 VanDerWaalsContact O-O 3.12Å; C61-L65 CarbonylContact C-O 3.54Å; L65-P67 VanDerWaalsContact C-CD 3.47Å; L65-L119 HydrophobicContact CD1-CD2 4.07Å
66	K	91.1	Very high	96	Very high	159 Å²	159	30.5 Å²	30.5	69%	0.691	16%	0.158	S	C	*	.			trans	-124.5	70	166.7	-62.5	-177.3	-176.8	-176.4	0	108.4	V96	K66-V96 HydrophobicContact CB-CG2 4.25Å
67	P	93.5	Very high	95.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.18	C	C	.	.			trans	-61.8	154.5	177.1	30.1	-35.5	0	0	0	109.6	T46 L65 F69 H70 V96	T46-P67 HydrophobicContact CG2-CB 3.64Å; T46-P67 HydrophobicContact CG2-CG 4.05Å; L65-P67 VanDerWaalsContact C-CD 3.47Å; P67-F69 VanDerWaalsContact C-N 3.31Å; P67-H70 HydrophobicContact CG-CB 4.17Å; P67-V96 HydrophobicContact CG-CG1 3.99Å
68	L	94.3	Very high	95.9	Very high	131 Å²	131	37 Å²	37	69%	0.686	19%	0.194	S	C	*	.	S	Bend	trans	-64.8	-42.4	175.8	179	62.8	0	0	0	110.4	T44 T97	T44-L68 WeakPolarHBondContact O-CB 3.47Å; T44-L68 PolarHBondContact O-N 3.12Å; L68-T97 WeakPolarHBondContact O-CB 3.45Å; L68-T97 PolarHBondContact O-N 3.42Å
69	F	97.3	Very high	95.9	Very high	73 Å²	73	37.2 Å²	37.2	32%	0.32	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	135.1	179.1	-152.8	-88.7	0	0	0	111.4	T44 L45 T46 P67 I71 T97 D99	T44-F69 PolarHBondContact O-N 2.88Å; L45-F69 WeakPolarHBondContact CA-O 3.33Å; L45-F69 HydrophobicContact CD1-CB 3.96Å; L45-F69 HydrophobicContact CD1-CD1 3.96Å; L45-F69 HydrophobicContact CD1-CG 4.41Å; T46-F69 PolarHBondContact N-O 2.99Å; P67-F69 VanDerWaalsContact C-N 3.31Å; F69-I71 HydrophobicContact CD1-CD1 4.16Å; F69-I71 HydrophobicContact CD1-CG1 3.68Å; F69-I71 HydrophobicContact CE1-CD1 4.09Å; F69-I71 HydrophobicContact CE1-CG1 3.59Å; F69-T97 CarbonylContact C-O 3.48Å; F69-T97 VanDerWaalsContact CA-O 3.27Å; F69-T97 WeakPolarHBondContact CA-O 3.23Å; F69-T97 HydrophobicContact CD2-CG2 3.58Å; F69-T97 HydrophobicContact CE2-CG2 3.35Å; F69-T97 HydrophobicContact CZ-CG2 4.34Å; F69-D99 HydrophobicContact CE1-CB 4.2Å; F69-D99 HydrophobicContact CZ-CB 4.07Å
70	H	98.3	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	130.7	177.9	175.5	76.1	0	0	0	110.6	T46 S57 C61 P67 C72 V96 T97 Y98 D99	T46-H70 WeakPolarHBondContact O-CA 3.49Å; T46-H70 WeakPolarHBondContact OG1-CB 3.48Å; T46-H70 PolarHBondContact OG1-ND1 2.97Å; S57-H70 WeakPolarHBondContact CB-NE2 3.32Å; S57-H70 PolarHBondContact OG-CE1 3.05Å; S57-H70 PolarHBondContact OG-NE2 3.47Å; C61-H70 VanDerWaalsContact SG-CG 3.52Å; P67-H70 HydrophobicContact CG-CB 4.17Å; H70-C72 PolarHBondContact NE2-SG 3.27Å; H70-V96 HydrophobicContact CB-CG1 4Å; H70-T97 PolarHBondContact N-O 2.81Å; H70-Y98 CarbonylContact O-C 3.52Å; H70-Y98 WeakPolarHBondContact O-CA 3.32Å; H70-Y98 WeakPolarHBondContact O-CB 3.38Å; H70-D99 PolarHBondContact O-N 2.88Å
71	I	98.6	Very high	96	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.051	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	131.7	-179.8	-60.2	173.5	0	0	0	108.9	L45 T46 L47 E48 F69 T73 D99 I101 L109 L113	L45-I71 HydrophobicContact CD1-CD1 3.98Å; L45-I71 HydrophobicContact CD1-CG1 4.32Å; T46-I71 PolarHBondContact O-N 3.24Å; L47-I71 CarbonylContact C-O 3.55Å; L47-I71 VanDerWaalsContact CA-O 3.27Å; L47-I71 WeakPolarHBondContact CA-O 3.29Å; L47-I71 HydrophobicContact CD1-CB 3.83Å; L47-I71 HydrophobicContact CD1-CG2 3.67Å; E48-I71 PolarHBondContact N-O 3.38Å; F69-I71 HydrophobicContact CD1-CD1 4.16Å; F69-I71 HydrophobicContact CD1-CG1 3.68Å; F69-I71 HydrophobicContact CE1-CD1 4.09Å; F69-I71 HydrophobicContact CE1-CG1 3.59Å; I71-T73 HydrophobicContact CG2-CG2 4.14Å; I71-D99 WeakPolarHBondContact CA-O 3.17Å; I71-I101 HydrophobicContact CG2-CD1 3.96Å; I71-I101 HydrophobicContact CG2-CG1 4.4Å; I71-L109 HydrophobicContact CG2-CD1 3.99Å; I71-L113 HydrophobicContact CD1-CD1 3.6Å
72	C	98.8	Very high	96.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.3	161.6	-68.8	0	0	0	0	109.3	E48 S57 H70 D99 V100 I101	E48-C72 CarbonylContact O-C 3.52Å; S57-C72 PolarHBondContact OG-SG 3Å; H70-C72 PolarHBondContact NE2-SG 3.27Å; C72-D99 PolarHBondContact N-O 2.79Å; C72-V100 HydrophobicContact CB-CB 4.26Å; C72-V100 HydrophobicContact CB-CG1 3.84Å; C72-V100 HydrophobicContact CB-CG2 4.01Å; C72-V100 WeakPolarHBondContact O-CA 3.48Å; C72-I101 PolarHBondContact O-N 2.84Å
73	T	98.7	Very high	96.3	Very high	1 Å²	1	39 Å²	39	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	139.2	168.9	51.7	0	0	0	0	109.9	L47 E48 V49 G50 S51 I71 I101 L105 L109	L47-T73 HydrophobicContact CD1-CG2 3.92Å; E48-T73 PolarHBondContact O-N 2.92Å; E48-T73 PolarHBondContact O-OG1 3.15Å; V49-T73 WeakPolarHBondContact CA-OG1 3.36Å; G50-T73 WeakPolarHBondContact CA-O 3.48Å; G50-T73 PolarHBondContact N-O 3.18Å; S51-T73 PolarHBondContact N-O 3.07Å; S51-T73 VanDerWaalsContact N-O 3.13Å; I71-T73 HydrophobicContact CG2-CG2 4.14Å; T73-I101 WeakPolarHBondContact CA-O 3.15Å; T73-I101 HydrophobicContact CG2-CB 4.3Å; T73-L105 VanDerWaalsContact CB-O 3.32Å; T73-L105 WeakPolarHBondContact CB-O 3.46Å; T73-L105 PolarHBondContact OG1-O 3.02Å; T73-L109 HydrophobicContact CG2-CD1 3.72Å
74	D	98.3	Very high	96.5	Very high	17 Å²	17	40.4 Å²	40.4	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	147	172.4	-155.7	-66.1	0	0	0	110.7	S51 G52 S76 A79 I101 N102 C103	S51-D74 PolarHBondContact N-OD2 3.16Å; G52-D74 PolarHBondContact N-OD2 3.37Å; D74-S76 VanDerWaalsContact C-N 3.33Å; D74-S76 WeakPolarHBondContact OD1-CB 3.23Å; D74-S76 PolarHBondContact OD1-N 2.9Å; D74-A79 HydrophobicContact CB-CB 4.1Å; D74-A79 VanDerWaalsContact CG-CB 3.46Å; D74-I101 PolarHBondContact N-O 3.44Å; D74-N102 CarbonylContact O-C 3.58Å; D74-N102 VanDerWaalsContact O-CA 3.25Å; D74-N102 WeakPolarHBondContact O-CA 3.44Å; D74-N102 PolarHBondContact O-ND2 3.19Å; D74-C103 CarbonylContact C-O 3.54Å; D74-C103 PolarHBondContact O-N 2.82Å
75	I	96.2	Very high	96.8	Very high	99 Å²	99	43.3 Å²	43.3	51%	0.508	21%	0.213	S	C	.	.	S	Bend	trans	-75.6	-26.4	176.8	-164.3	169.4	0	0	0	111.7	N102 C103	I75-N102 PolarHBondContact O-ND2 2.79Å; I75-C103 WeakPolarHBondContact CA-O 3.35Å; I75-C103 PolarHBondContact N-O 3.05Å
76	S	95.9	Very high	97.1	Very high	19 Å²	19	42.5 Å²	42.5	13%	0.133	21%	0.209	C	C	.	.			trans	-87.9	119.8	176.9	173.6	0	0	0	0	110.8	D74 T78 A79 C80	D74-S76 VanDerWaalsContact C-N 3.33Å; D74-S76 WeakPolarHBondContact OD1-CB 3.23Å; D74-S76 PolarHBondContact OD1-N 2.9Å; S76-T78 PolarHBondContact O-N 3.44Å; S76-T78 PolarHBondContact OG-N 3.43Å; S76-A79 WeakPolarHBondContact O-CB 3.32Å; S76-A79 PolarHBondContact O-N 2.77Å; S76-A79 VanDerWaalsContact O-N 3.14Å; S76-A79 PolarHBondContact OG-N 2.91Å; S76-C80 PolarHBondContact O-N 3.39Å; S76-C80 PolarHBondContact O-SG 2.87Å; S76-C80 VanDerWaalsContact O-SG 3.41Å
77	L	96.6	Very high	97.4	Very high	94 Å²	94	34.9 Å²	34.9	49%	0.492	18%	0.176	S	C	.	.	H	α-helix	trans	-59.5	-36.7	175	179.8	61.4	0	0	0	111.4	C80 H81 N102	L77-C80 WeakPolarHBondContact O-CB 3.34Å; L77-C80 PolarHBondContact O-N 3.49Å; L77-H81 PolarHBondContact O-N 3.31Å; L77-N102 HydrophobicContact CD1-CB 4.25Å; L77-N102 PolarHBondContact N-ND2 3.43Å
78	T	97	Very high	97.6	Very high	48 Å²	48	39.4 Å²	39.4	29%	0.294	20%	0.2	S	C	.	.	H	α-helix	trans	-65.7	-39	177.2	-49.6	0	0	0	0	111.4	E13 F14 V17 S76 H81 A82	E13-T78 VanDerWaalsContact O-CG2 3.22Å; E13-T78 WeakPolarHBondContact O-CG2 3.48Å; F14-T78 HydrophobicContact CD1-CG2 3.89Å; F14-T78 HydrophobicContact CE1-CG2 4.37Å; V17-T78 HydrophobicContact CG2-CG2 3.66Å; S76-T78 PolarHBondContact O-N 3.44Å; S76-T78 PolarHBondContact OG-N 3.43Å; T78-H81 PolarHBondContact O-N 3.41Å; T78-A82 WeakPolarHBondContact O-CB 3.33Å; T78-A82 PolarHBondContact O-N 2.74Å
79	A	97.7	Very high	97.7	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-66.2	-36.9	172.6	0	0	0	0	0	112	V17 G52 D74 S76 H81 A82 S83	V17-A79 HydrophobicContact CG1-CB 4.41Å; V17-A79 HydrophobicContact CG2-CB 4.5Å; G52-A79 CarbonylContact O-C 3.56Å; D74-A79 HydrophobicContact CB-CB 4.1Å; D74-A79 VanDerWaalsContact CG-CB 3.46Å; S76-A79 WeakPolarHBondContact O-CB 3.32Å; S76-A79 PolarHBondContact O-N 2.77Å; S76-A79 VanDerWaalsContact O-N 3.14Å; S76-A79 PolarHBondContact OG-N 2.91Å; A79-H81 VanDerWaalsContact C-N 3.35Å; A79-H81 PolarHBondContact O-N 3.45Å; A79-A82 WeakPolarHBondContact O-CB 3.4Å; A79-A82 PolarHBondContact O-N 3.23Å; A79-S83 WeakPolarHBondContact O-CB 3.24Å; A79-S83 PolarHBondContact O-N 2.9Å; A79-S83 PolarHBondContact O-OG 3.07Å
80	C	98.4	Very high	97.7	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.034	18%	0.184	C	C	.	.	H	α-helix	trans	-60.1	-45	172.1	-65.4	0	0	0	0	111.9	S76 L77 S83 L84 V100 N102	S76-C80 PolarHBondContact O-N 3.39Å; S76-C80 PolarHBondContact O-SG 2.87Å; S76-C80 VanDerWaalsContact O-SG 3.41Å; L77-C80 WeakPolarHBondContact O-CB 3.34Å; L77-C80 PolarHBondContact O-N 3.49Å; C80-S83 PolarHBondContact O-N 3.23Å; C80-L84 WeakPolarHBondContact O-CB 3.4Å; C80-L84 PolarHBondContact O-N 3.04Å; C80-V100 HydrophobicContact CB-CG1 3.59Å; C80-N102 VanDerWaalsContact SG-CA 3.54Å
81	H	98.2	Very high	97.5	Very high	83 Å²	83	35.2 Å²	35.2	38%	0.384	19%	0.185	S	C	.	.	H	α-helix	trans	-63.8	-43	176.4	-69.3	178.5	0	0	0	112.3	F14 L77 T78 A79 L84 R85	F14-H81 HydrophobicContact CE1-CB 3.96Å; F14-H81 HydrophobicContact CZ-CB 4.42Å; L77-H81 PolarHBondContact O-N 3.31Å; T78-H81 PolarHBondContact O-N 3.41Å; A79-H81 VanDerWaalsContact C-N 3.35Å; A79-H81 PolarHBondContact O-N 3.45Å; H81-L84 PolarHBondContact O-N 2.93Å; H81-R85 WeakPolarHBondContact O-CG 3.36Å; H81-R85 PolarHBondContact O-N 3.04Å
82	A	98.4	Very high	96.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-56.2	-52.8	174.2	0	0	0	0	0	111.4	M9 F14 V17 T78 A79 L84 R85 V86	M9-A82 HydrophobicContact CE-CB 3.39Å; M9-A82 HydrophobicContact SD-CB 4.03Å; F14-A82 HydrophobicContact CD1-CB 3.7Å; F14-A82 HydrophobicContact CE1-CB 3.85Å; F14-A82 HydrophobicContact CG-CB 4.2Å; F14-A82 HydrophobicContact CZ-CB 4.42Å; V17-A82 HydrophobicContact CG1-CB 4Å; V17-A82 HydrophobicContact CG2-CB 4.17Å; T78-A82 WeakPolarHBondContact O-CB 3.33Å; T78-A82 PolarHBondContact O-N 2.74Å; A79-A82 WeakPolarHBondContact O-CB 3.4Å; A79-A82 PolarHBondContact O-N 3.23Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 3.45Å; A82-R85 PolarHBondContact O-N 2.84Å; A82-R85 VanDerWaalsContact O-N 3.16Å; A82-V86 WeakPolarHBondContact O-CG2 3.29Å; A82-V86 PolarHBondContact O-N 3.46Å
83	S	98.5	Very high	95.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.1	-45.1	179.8	-64.2	0	0	0	0	111.7	S51 G52 G54 A79 C80 R85 V86 L87	S51-S83 WeakPolarHBondContact CB-OG 3.44Å; S51-S83 PolarHBondContact OG-OG 2.86Å; G52-S83 PolarHBondContact O-OG 3.2Å; G54-S83 WeakPolarHBondContact CA-OG 3.03Å; G54-S83 PolarHBondContact N-OG 2.99Å; A79-S83 WeakPolarHBondContact O-CB 3.24Å; A79-S83 PolarHBondContact O-N 2.9Å; A79-S83 PolarHBondContact O-OG 3.07Å; C80-S83 PolarHBondContact O-N 3.23Å; S83-R85 PolarHBondContact O-N 3.11Å; S83-V86 PolarHBondContact O-N 2.89Å; S83-L87 WeakPolarHBondContact O-CB 3.5Å; S83-L87 WeakPolarHBondContact O-CG 3.26Å; S83-L87 PolarHBondContact O-N 3.18Å
84	L	98.2	Very high	95	Very high	68 Å²	68	50.2 Å²	50.2	36%	0.356	28%	0.283	S	S	.	.	H	α-helix	trans	-63.1	-41.7	177.5	-177.5	59.8	0	0	0	112.1	C80 H81 A82 L87 N88 Y98 V100	C80-L84 WeakPolarHBondContact O-CB 3.4Å; C80-L84 PolarHBondContact O-N 3.04Å; H81-L84 PolarHBondContact O-N 2.93Å; A82-L84 VanDerWaalsContact C-N 3.33Å; A82-L84 PolarHBondContact O-N 3.45Å; L84-L87 PolarHBondContact O-N 3.14Å; L84-N88 WeakPolarHBondContact O-CB 3.22Å; L84-N88 VanDerWaalsContact O-CG 3.25Å; L84-N88 PolarHBondContact O-N 3.02Å; L84-N88 PolarHBondContact O-ND2 3.11Å; L84-N88 VanDerWaalsContact O-ND2 3.09Å; L84-Y98 HydrophobicContact CD1-CD2 4.4Å; L84-Y98 HydrophobicContact CD1-CE2 4.02Å; L84-V100 HydrophobicContact CB-CG2 3.97Å; L84-V100 HydrophobicContact CD1-CG2 4.23Å
85	R	97.8	Very high	94.3	Very high	80 Å²	80	51.4 Å²	51.4	30%	0.302	29%	0.293	S	S	.	.	H	α-helix	trans	-65.3	-42.9	177	-75.3	-175.8	71.3	-177.5	-9.8	112	E11 E13 F14 H81 A82 S83 N88 V89	E11-R85 IonicContact OE1-CZ 3.38Å; E11-R85 IonicContact OE1-NH1 3.58Å; E11-R85 IonicContact OE1-NH2 3.7Å; E11-R85 PolarHBondContact OE1-NH2 3.47Å; E11-R85 IonicContact OE2-CZ 2.97Å; E11-R85 VanDerWaalsContact OE2-CZ 3.31Å; E11-R85 IonicContact OE2-NH1 2.92Å; E11-R85 PolarHBondContact OE2-NH1 3.06Å; E11-R85 IonicContact OE2-NH2 3.68Å; E11-R85 PolarHBondContact OE2-NH2 2.94Å; E13-R85 IonicContact OE2-NH1 3.74Å; E13-R85 PolarHBondContact OE2-NH1 3.01Å; E13-R85 VanDerWaalsContact OE2-NH1 3.15Å; F14-R85 VanDerWaalsContact CE2-NH1 3.3Å; F14-R85 VanDerWaalsContact CZ-CD 3.46Å; F14-R85 HydrophobicContact CZ-CG 4.45Å; H81-R85 WeakPolarHBondContact O-CG 3.36Å; H81-R85 PolarHBondContact O-N 3.04Å; A82-R85 PolarHBondContact O-N 2.84Å; A82-R85 VanDerWaalsContact O-N 3.16Å; S83-R85 PolarHBondContact O-N 3.11Å; R85-N88 PolarHBondContact O-N 3.05Å; R85-V89 WeakPolarHBondContact O-CG2 3.4Å; R85-V89 PolarHBondContact O-N 3.06Å
86	V	98.3	Very high	94.2	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.9	-40.8	177.5	173.8	0	0	0	0	110.9	T6 M9 S53 A58 A82 S83 V89 N90	T6-V86 HydrophobicContact CG2-CG1 3.94Å; T6-V86 HydrophobicContact CG2-CG2 4.17Å; M9-V86 HydrophobicContact CE-CG2 4.25Å; S53-V86 WeakPolarHBondContact O-CB 3.31Å; S53-V86 VanDerWaalsContact O-CG2 3.24Å; S53-V86 WeakPolarHBondContact O-CG2 3.47Å; A58-V86 HydrophobicContact CB-CG1 3.68Å; A82-V86 WeakPolarHBondContact O-CG2 3.29Å; A82-V86 PolarHBondContact O-N 3.46Å; S83-V86 PolarHBondContact O-N 2.89Å; V86-V89 PolarHBondContact O-N 3.17Å; V86-N90 WeakPolarHBondContact O-CB 3.42Å; V86-N90 PolarHBondContact O-N 2.98Å; V86-N90 PolarHBondContact O-ND2 3.21Å
87	L	97.5	Very high	94.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-47.1	173.3	-76.3	167	0	0	0	112	A58 S83 L84 V89 N90 V91 Y98 V100	A58-L87 HydrophobicContact CB-CD2 4.44Å; S83-L87 WeakPolarHBondContact O-CB 3.5Å; S83-L87 WeakPolarHBondContact O-CG 3.26Å; S83-L87 PolarHBondContact O-N 3.18Å; L84-L87 PolarHBondContact O-N 3.14Å; L87-V89 VanDerWaalsContact C-N 3.26Å; L87-V89 PolarHBondContact O-N 2.99Å; L87-N90 PolarHBondContact O-N 2.77Å; L87-V91 HydrophobicContact CD2-CG2 3.76Å; L87-V91 WeakPolarHBondContact O-CB 3.31Å; L87-V91 PolarHBondContact O-N 3.19Å; L87-Y98 HydrophobicContact CB-CD2 4.08Å; L87-Y98 HydrophobicContact CB-CE1 4.4Å; L87-Y98 HydrophobicContact CB-CE2 3.71Å; L87-Y98 HydrophobicContact CD1-CD2 3.83Å; L87-Y98 HydrophobicContact CD1-CE2 4.31Å; L87-Y98 HydrophobicContact CD1-CG 4.16Å; L87-Y98 HydrophobicContact CG-CD2 4.47Å; L87-V100 HydrophobicContact CD1-CG2 4.07Å
88	N	96.7	Very high	94.3	Very high	96 Å²	96	47.3 Å²	47.3	51%	0.513	27%	0.271	S	S	.	.	H	α-helix	trans	-59.2	-33.8	179.3	-78.1	-36.6	0	0	0	113.6	L84 R85 Y98	L84-N88 WeakPolarHBondContact O-CB 3.22Å; L84-N88 VanDerWaalsContact O-CG 3.25Å; L84-N88 PolarHBondContact O-N 3.02Å; L84-N88 PolarHBondContact O-ND2 3.11Å; L84-N88 VanDerWaalsContact O-ND2 3.09Å; R85-N88 PolarHBondContact O-N 3.05Å; N88-Y98 WeakPolarHBondContact CA-OH 3.43Å; N88-Y98 PolarHBondContact OD1-OH 2.92Å
89	V	96.5	Very high	94.3	Very high	88 Å²	88	48.9 Å²	48.9	53%	0.533	28%	0.278	S	S	.	.	H	α-helix	trans	-79.1	-33.5	-179.8	172.1	0	0	0	0	112.1	I5 R85 V86 L87	I5-V89 HydrophobicContact CB-CG1 3.92Å; I5-V89 HydrophobicContact CD1-CG1 4.23Å; I5-V89 HydrophobicContact CG2-CG1 4.01Å; R85-V89 WeakPolarHBondContact O-CG2 3.4Å; R85-V89 PolarHBondContact O-N 3.06Å; V86-V89 PolarHBondContact O-N 3.17Å; L87-V89 VanDerWaalsContact C-N 3.26Å; L87-V89 PolarHBondContact O-N 2.99Å
90	N	96.5	Very high	94.3	Very high	26 Å²	26	49.8 Å²	49.8	14%	0.139	28%	0.283	C	S	.	.	H	α-helix	trans	-105.2	-26.2	-168.4	-69.4	-77.9	0	0	0	114.4	P4 I5 A58 S62 V86 L87	P4-N90 WeakPolarHBondContact CA-OD1 3.32Å; P4-N90 HydrophobicContact CB-CB 4.34Å; I5-N90 PolarHBondContact N-ND2 2.87Å; I5-N90 PolarHBondContact N-OD1 2.85Å; I5-N90 PolarHBondContact O-ND2 2.78Å; A58-N90 HydrophobicContact CB-CB 4.05Å; S62-N90 WeakPolarHBondContact CB-O 3.14Å; V86-N90 WeakPolarHBondContact O-CB 3.42Å; V86-N90 PolarHBondContact O-N 2.98Å; V86-N90 PolarHBondContact O-ND2 3.21Å; L87-N90 PolarHBondContact O-N 2.77Å
91	V	94.4	Very high	94.3	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.012	29%	0.292	C	S	.	.	S	Bend	trans	-103.2	115.5	-174.7	-174.8	0	0	0	0	109.3	C61 L87 S93 V96 Y98	C61-V91 HydrophobicContact CB-CG1 4.07Å; C61-V91 HydrophobicContact CB-CG2 3.62Å; L87-V91 HydrophobicContact CD2-CG2 3.76Å; L87-V91 WeakPolarHBondContact O-CB 3.31Å; L87-V91 PolarHBondContact O-N 3.19Å; V91-S93 PolarHBondContact O-N 3.03Å; V91-V96 HydrophobicContact CG1-CB 3.99Å; V91-V96 HydrophobicContact CG1-CG2 4.41Å; V91-Y98 HydrophobicContact CB-CD1 4.48Å; V91-Y98 HydrophobicContact CB-CE1 3.81Å; V91-Y98 HydrophobicContact CG1-CD1 4.14Å; V91-Y98 HydrophobicContact CG1-CE1 3.75Å
92	P	86.2	Confident	94.3	Very high	72 Å²	72	51.5 Å²	51.5	47%	0.468	29%	0.294	S	S	.	.			trans	-59.4	130.8	178	-21.7	32.1	0	0	0	111.2	T94 S95	P92-T94 PolarHBondContact O-N 3.48Å; P92-S95 PolarHBondContact O-N 3.1Å
93	S	78.4	Confident	94.3	Very high	114 Å²	114	52.3 Å²	52.3	80%	0.797	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.8	-171	-43.7	0	0	0	0	115.3	V91	V91-S93 PolarHBondContact O-N 3.03Å
94	T	79.7	Confident	94.2	Very high	139 Å²	139	55.4 Å²	55.4	85%	0.853	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-4	-180	54.7	0	0	0	0	114.1	P92	P92-T94 PolarHBondContact O-N 3.48Å
95	S	84.1	Confident	94.2	Very high	43 Å²	43	53.4 Å²	53.4	30%	0.301	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-41.7	-169.8	-64.7	0	0	0	0	114.1	P92	P92-S95 PolarHBondContact O-N 3.1Å
96	V	93.4	Very high	94.2	Very high	6 Å²	6	49.7 Å²	49.7	4%	0.036	30%	0.297	C	S	.	.			trans	-142.6	132.1	-173.5	176.4	0	0	0	0	108.1	C61 K66 P67 H70 V91 Y98	C61-V96 HydrophobicContact CB-CG1 4.42Å; C61-V96 HydrophobicContact CB-CG2 4.3Å; K66-V96 HydrophobicContact CB-CG2 4.25Å; P67-V96 HydrophobicContact CG-CG1 3.99Å; H70-V96 HydrophobicContact CB-CG1 4Å; V91-V96 HydrophobicContact CG1-CB 3.99Å; V91-V96 HydrophobicContact CG1-CG2 4.41Å; V96-Y98 HydrophobicContact CG1-CD1 4.46Å
97	T	96.3	Very high	94.2	Very high	80 Å²	80	52.9 Å²	52.9	49%	0.491	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.5	168.1	-52.8	0	0	0	0	108.2	L68 F69 H70	L68-T97 WeakPolarHBondContact O-CB 3.45Å; L68-T97 PolarHBondContact O-N 3.42Å; F69-T97 CarbonylContact C-O 3.48Å; F69-T97 VanDerWaalsContact CA-O 3.27Å; F69-T97 WeakPolarHBondContact CA-O 3.23Å; F69-T97 HydrophobicContact CD2-CG2 3.58Å; F69-T97 HydrophobicContact CE2-CG2 3.35Å; F69-T97 HydrophobicContact CZ-CG2 4.34Å; H70-T97 PolarHBondContact N-O 2.81Å
98	Y	97.3	Very high	94.2	Very high	39 Å²	39	56.8 Å²	56.8	15%	0.153	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	156.5	178.1	52.3	-100.1	0	0	0	112.8	H70 L84 L87 N88 V91 V96	H70-Y98 CarbonylContact O-C 3.52Å; H70-Y98 WeakPolarHBondContact O-CA 3.32Å; H70-Y98 WeakPolarHBondContact O-CB 3.38Å; L84-Y98 HydrophobicContact CD1-CD2 4.4Å; L84-Y98 HydrophobicContact CD1-CE2 4.02Å; L87-Y98 HydrophobicContact CB-CD2 4.08Å; L87-Y98 HydrophobicContact CB-CE1 4.4Å; L87-Y98 HydrophobicContact CB-CE2 3.71Å; L87-Y98 HydrophobicContact CD1-CD2 3.83Å; L87-Y98 HydrophobicContact CD1-CE2 4.31Å; L87-Y98 HydrophobicContact CD1-CG 4.16Å; L87-Y98 HydrophobicContact CG-CD2 4.47Å; N88-Y98 WeakPolarHBondContact CA-OH 3.43Å; N88-Y98 PolarHBondContact OD1-OH 2.92Å; V91-Y98 HydrophobicContact CB-CD1 4.48Å; V91-Y98 HydrophobicContact CB-CE1 3.81Å; V91-Y98 HydrophobicContact CG1-CD1 4.14Å; V91-Y98 HydrophobicContact CG1-CE1 3.75Å; V96-Y98 HydrophobicContact CG1-CD1 4.46Å
99	D	97.7	Very high	94.3	Very high	82 Å²	82	53.1 Å²	53.1	44%	0.439	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	154.6	174.3	-161.5	7	0	0	0	110.7	F69 H70 I71 C72	F69-D99 HydrophobicContact CE1-CB 4.2Å; F69-D99 HydrophobicContact CZ-CB 4.07Å; H70-D99 PolarHBondContact O-N 2.88Å; I71-D99 WeakPolarHBondContact CA-O 3.17Å; C72-D99 PolarHBondContact N-O 2.79Å
100	V	98.5	Very high	94.4	Very high	22 Å²	22	51 Å²	51	13%	0.133	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.5	-179.5	-170.2	0	0	0	0	109.3	C72 C80 L84 L87	C72-V100 HydrophobicContact CB-CB 4.26Å; C72-V100 HydrophobicContact CB-CG1 3.84Å; C72-V100 HydrophobicContact CB-CG2 4.01Å; C72-V100 WeakPolarHBondContact O-CA 3.48Å; C80-V100 HydrophobicContact CB-CG1 3.59Å; L84-V100 HydrophobicContact CB-CG2 3.97Å; L84-V100 HydrophobicContact CD1-CG2 4.23Å; L87-V100 HydrophobicContact CD1-CG2 4.07Å
101	I	98.5	Very high	94.5	Very high	45 Å²	45	55.3 Å²	55.3	23%	0.231	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	117.4	-169.1	-55.7	175.9	0	0	0	109.9	I71 C72 T73 D74 C103 L109	I71-I101 HydrophobicContact CG2-CD1 3.96Å; I71-I101 HydrophobicContact CG2-CG1 4.4Å; C72-I101 PolarHBondContact O-N 2.84Å; T73-I101 WeakPolarHBondContact CA-O 3.15Å; T73-I101 HydrophobicContact CG2-CB 4.3Å; D74-I101 PolarHBondContact N-O 3.44Å; I101-C103 HydrophobicContact CG2-CB 4.41Å; I101-C103 PolarHBondContact O-N 3.13Å; I101-L109 HydrophobicContact CD1-CD1 4.25Å; I101-L109 HydrophobicContact CD1-CD2 3.73Å
102	N	98.2	Very high	94.6	Very high	79 Å²	79	65.7 Å²	65.7	42%	0.422	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	107.2	174.8	-178.6	-125.1	0	0	0	110.8	D74 I75 L77 C80	D74-N102 CarbonylContact O-C 3.58Å; D74-N102 VanDerWaalsContact O-CA 3.25Å; D74-N102 WeakPolarHBondContact O-CA 3.44Å; D74-N102 PolarHBondContact O-ND2 3.19Å; I75-N102 PolarHBondContact O-ND2 2.79Å; L77-N102 HydrophobicContact CD1-CB 4.25Å; L77-N102 PolarHBondContact N-ND2 3.43Å; C80-N102 VanDerWaalsContact SG-CA 3.54Å
103	C	97.7	Very high	95.2	Very high	18 Å²	18	63.4 Å²	63.4	12%	0.122	36%	0.363	C	S	.	.	S	Bend	trans	-164.3	165.5	-179.8	61.8	0	0	0	0	113	D74 I75 I101 L105 P108	D74-C103 CarbonylContact C-O 3.54Å; D74-C103 PolarHBondContact O-N 2.82Å; I75-C103 WeakPolarHBondContact CA-O 3.35Å; I75-C103 PolarHBondContact N-O 3.05Å; I101-C103 HydrophobicContact CG2-CB 4.41Å; I101-C103 PolarHBondContact O-N 3.13Å; C103-L105 PolarHBondContact O-N 3.38Å; C103-L105 PolarHBondContact SG-O 3.18Å; C103-P108 HydrophobicContact CB-CG 3.47Å; C103-P108 VanDerWaalsContact CB-CG 3.47Å
104	S	96.7	Very high	96.1	Very high	65 Å²	65	63.8 Å²	63.8	46%	0.455	35%	0.348	S	S	.	.	S	Bend	trans	-78.5	116.7	173	179.5	0	0	0	0	110.8	A106 T107	S104-A106 PolarHBondContact O-N 3.04Å; S104-T107 WeakPolarHBondContact O-CB 3.34Å; S104-T107 PolarHBondContact O-N 3.25Å; S104-T107 PolarHBondContact O-OG1 2.83Å
105	L	97.6	Very high	97	Very high	25 Å²	25	61.7 Å²	61.7	13%	0.131	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	-130	-174.9	-58.2	176.1	0	0	0	110.1	V49 T73 C103 F122 V154 P157 F158 Q161	V49-L105 HydrophobicContact CG1-CB 4.25Å; V49-L105 HydrophobicContact CG1-CD2 3.82Å; T73-L105 VanDerWaalsContact CB-O 3.32Å; T73-L105 WeakPolarHBondContact CB-O 3.46Å; T73-L105 PolarHBondContact OG1-O 3.02Å; C103-L105 PolarHBondContact O-N 3.38Å; C103-L105 PolarHBondContact SG-O 3.18Å; L105-F122 HydrophobicContact CD2-CE1 4.26Å; L105-F122 HydrophobicContact CD2-CZ 3.98Å; L105-V154 HydrophobicContact CD2-CB 4.44Å; L105-P157 HydrophobicContact CD1-CB 3.98Å; L105-F158 HydrophobicContact CD1-CB 4.48Å; L105-F158 HydrophobicContact CD2-CB 4.44Å; L105-Q161 VanDerWaalsContact CB-OE1 3.28Å
106	A	98.3	Very high	97.7	Very high	2 Å²	2	62.2 Å²	62.2	2%	0.017	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	18.2	174.8	0	0	0	0	0	112.3	L47 V49 S104 L109 L110 L165	L47-A106 HydrophobicContact CD2-CB 3.95Å; V49-A106 HydrophobicContact CG2-CB 4.4Å; S104-A106 PolarHBondContact O-N 3.04Å; A106-L109 WeakPolarHBondContact O-CA 3.34Å; A106-L109 WeakPolarHBondContact O-CB 3.34Å; A106-L109 PolarHBondContact O-N 2.98Å; A106-L110 PolarHBondContact O-N 2.87Å; A106-L165 HydrophobicContact CB-CD1 3.55Å
107	T	98.4	Very high	97.9	Very high	68 Å²	68	61.9 Å²	61.9	42%	0.417	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-49.5	-49.4	-170.1	-52.6	0	0	0	0	114.5	S104 L109 L110 Q161	S104-T107 WeakPolarHBondContact O-CB 3.34Å; S104-T107 PolarHBondContact O-N 3.25Å; S104-T107 PolarHBondContact O-OG1 2.83Å; T107-L109 PolarHBondContact O-N 3.29Å; T107-L110 WeakPolarHBondContact O-CG 3.33Å; T107-L110 PolarHBondContact O-N 3.49Å; T107-Q161 PolarHBondContact OG1-NE2 3.26Å; T107-Q161 VanDerWaalsContact OG1-NE2 3.12Å
108	P	98	Very high	98	Very high	82 Å²	82	59.3 Å²	59.3	53%	0.532	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-71.2	-13.2	-179.3	29.8	-36.1	0	0	0	113.6	C103	C103-P108 HydrophobicContact CB-CG 3.47Å; C103-P108 VanDerWaalsContact CB-CG 3.47Å
109	L	98.1	Very high	98.1	Very high	18 Å²	18	57.4 Å²	57.4	9%	0.094	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-92	-18.4	-177.2	-53.3	-177.9	0	0	0	112.9	L47 I71 T73 I101 A106 T107 S111 R112 L113	L47-L109 HydrophobicContact CD1-CD1 4.33Å; I71-L109 HydrophobicContact CG2-CD1 3.99Å; T73-L109 HydrophobicContact CG2-CD1 3.72Å; I101-L109 HydrophobicContact CD1-CD1 4.25Å; I101-L109 HydrophobicContact CD1-CD2 3.73Å; A106-L109 WeakPolarHBondContact O-CA 3.34Å; A106-L109 WeakPolarHBondContact O-CB 3.34Å; A106-L109 PolarHBondContact O-N 2.98Å; T107-L109 PolarHBondContact O-N 3.29Å; L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 2.99Å; L109-R112 PolarHBondContact O-N 3.49Å; L109-L113 HydrophobicContact CB-CD1 3.9Å; L109-L113 HydrophobicContact CB-CG 4.23Å; L109-L113 HydrophobicContact CD1-CD1 4.09Å; L109-L113 HydrophobicContact CG-CD1 4.41Å; L109-L113 WeakPolarHBondContact O-CB 3.27Å; L109-L113 PolarHBondContact O-N 2.89Å
110	L	98.4	Very high	98.2	Very high	44 Å²	44	53.5 Å²	53.5	23%	0.23	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-46.4	-171.8	-65.3	176.8	0	0	0	113.7	A106 T107 Y114 Q161 L165	A106-L110 PolarHBondContact O-N 2.87Å; T107-L110 WeakPolarHBondContact O-CG 3.33Å; T107-L110 PolarHBondContact O-N 3.49Å; L110-Y114 WeakPolarHBondContact O-CA 3.38Å; L110-Y114 WeakPolarHBondContact O-CB 3.03Å; L110-Y114 PolarHBondContact O-N 3.02Å; L110-Y114 VanDerWaalsContact O-N 3.15Å; L110-Q161 HydrophobicContact CD1-CG 4.09Å; L110-Q161 HydrophobicContact CD2-CB 3.78Å; L110-Q161 HydrophobicContact CD2-CG 3.91Å; L110-L165 HydrophobicContact CD2-CD1 4.1Å; L110-L165 HydrophobicContact CD2-CD2 4.2Å; L110-L165 HydrophobicContact CD2-CG 3.93Å
111	S	97.9	Very high	98.2	Very high	116 Å²	116	52.5 Å²	52.5	81%	0.811	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-35.1	-178.3	-178.2	0	0	0	0	112.7	L109	L109-S111 VanDerWaalsContact C-N 3.33Å; L109-S111 PolarHBondContact O-N 2.99Å
112	R	97.6	Very high	98.2	Very high	221 Å²	221	50.6 Å²	50.6	83%	0.834	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-30.8	-173	-173.9	174.1	178.2	-175.5	-2.1	112.3	L109	L109-R112 PolarHBondContact O-N 3.49Å
113	L	98.1	Very high	98.2	Very high	23 Å²	23	48 Å²	48	12%	0.12	26%	0.255	C	S	.	.	S	Bend	trans	-109.8	16.3	-178.1	-56.1	-173.5	0	0	0	112.3	L45 I71 L109 Q115 S116 V117 L165	L45-L113 HydrophobicContact CD2-CD1 4.34Å; L45-L113 HydrophobicContact CD2-CD2 3.98Å; I71-L113 HydrophobicContact CD1-CD1 3.6Å; L109-L113 HydrophobicContact CB-CD1 3.9Å; L109-L113 HydrophobicContact CB-CG 4.23Å; L109-L113 HydrophobicContact CD1-CD1 4.09Å; L109-L113 HydrophobicContact CG-CD1 4.41Å; L109-L113 WeakPolarHBondContact O-CB 3.27Å; L109-L113 PolarHBondContact O-N 2.89Å; L113-Q115 PolarHBondContact O-N 3.38Å; L113-S116 WeakPolarHBondContact O-CB 3.31Å; L113-S116 PolarHBondContact O-N 2.92Å; L113-V117 HydrophobicContact CB-CG2 4.1Å; L113-V117 HydrophobicContact CD1-CG2 4.31Å; L113-L165 HydrophobicContact CB-CD2 3.66Å
114	Y	98.4	Very high	98.2	Very high	122 Å²	122	47.1 Å²	47.1	48%	0.478	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	124.8	176.8	-174.9	-103	0	0	0	109.9	L110 S116 N164	L110-Y114 WeakPolarHBondContact O-CA 3.38Å; L110-Y114 WeakPolarHBondContact O-CB 3.03Å; L110-Y114 PolarHBondContact O-N 3.02Å; L110-Y114 VanDerWaalsContact O-N 3.15Å; Y114-S116 PolarHBondContact O-N 2.92Å; Y114-S116 VanDerWaalsContact O-N 3.14Å; Y114-S116 PolarHBondContact O-OG 2.66Å; Y114-N164 HydrophobicContact CD2-CB 4.27Å; Y114-N164 WeakPolarHBondContact CD2-O 3.26Å; Y114-N164 HydrophobicContact CE2-CB 4.17Å
115	Q	97.9	Very high	98.1	Very high	95 Å²	95	44.9 Å²	44.9	44%	0.444	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	33.8	-178.4	-61.5	-174.9	-43.7	0	0	115.9	L113 N164 L165 L166 S167	L113-Q115 PolarHBondContact O-N 3.38Å; Q115-N164 PolarHBondContact N-O 3.36Å; Q115-L165 CarbonylContact C-O 3.48Å; Q115-L165 WeakPolarHBondContact CA-O 3.36Å; Q115-L165 PolarHBondContact N-O 2.56Å; Q115-L166 VanDerWaalsContact CA-O 3.24Å; Q115-L166 WeakPolarHBondContact CA-O 3.45Å; Q115-S167 WeakPolarHBondContact O-CA 3.44Å
116	S	98.4	Very high	98	Very high	54 Å²	54	44.2 Å²	44.2	38%	0.378	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-11.2	-173.4	-58.1	0	0	0	0	114.5	L113 Y114 L165	L113-S116 WeakPolarHBondContact O-CB 3.31Å; L113-S116 PolarHBondContact O-N 2.92Å; Y114-S116 PolarHBondContact O-N 2.92Å; Y114-S116 VanDerWaalsContact O-N 3.14Å; Y114-S116 PolarHBondContact O-OG 2.66Å; S116-L165 PolarHBondContact N-O 3.21Å
117	V	98.7	Very high	97.7	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.9	-175.7	-172.3	0	0	0	0	110.3	L45 L47 L113 L119 V120 L165 L166 S167	L45-V117 HydrophobicContact CD2-CG2 3.92Å; L45-V117 HydrophobicContact CG-CG2 4.31Å; L47-V117 HydrophobicContact CB-CG1 3.83Å; L113-V117 HydrophobicContact CB-CG2 4.1Å; L113-V117 HydrophobicContact CD1-CG2 4.31Å; V117-L119 WeakPolarHBondContact CG1-O 3.47Å; V117-V120 HydrophobicContact CB-CG2 4.2Å; V117-V120 HydrophobicContact CG1-CG2 3.68Å; V117-L165 HydrophobicContact CB-CB 4.27Å; V117-L165 HydrophobicContact CG2-CB 3.93Å; V117-L165 HydrophobicContact CG2-CD2 4.33Å; V117-L165 PolarHBondContact N-O 2.79Å; V117-L166 CarbonylContact O-C 3.15Å; V117-L166 WeakPolarHBondContact O-CA 3.43Å; V117-S167 PolarHBondContact O-N 3.03Å
118	D	98.5	Very high	97.4	Very high	25 Å²	25	45 Å²	45	13%	0.134	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-27.7	-175.7	-60	-47.8	0	0	0	112.5	P43 T44 L45 S167 G170 C171	P43-D118 HydrophobicContact CB-CB 3.41Å; P43-D118 VanDerWaalsContact CB-CB 3.41Å; T44-D118 PolarHBondContact N-OD2 2.66Å; T44-D118 PolarHBondContact OG1-OD2 3.34Å; L45-D118 PolarHBondContact N-OD2 3.22Å; L45-D118 PolarHBondContact O-N 2.85Å; D118-S167 WeakPolarHBondContact OD1-CB 3.27Å; D118-S167 PolarHBondContact OD1-OG 2.46Å; D118-G170 CarbonylContact O-C 3.49Å; D118-G170 WeakPolarHBondContact O-CA 3.18Å; D118-C171 PolarHBondContact O-N 3.41Å
119	L	98.8	Very high	97.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	121.7	177.1	170.5	63.4	0	0	0	109.8	L38 P43 L45 T46 L47 L60 L65 V117 M121 C171 Y173	L38-L119 HydrophobicContact CD2-CD1 4.27Å; L38-L119 HydrophobicContact CD2-CD2 4.08Å; P43-L119 HydrophobicContact CB-CB 4.25Å; L45-L119 PolarHBondContact O-N 3.45Å; T46-L119 CarbonylContact C-O 3.47Å; T46-L119 WeakPolarHBondContact CA-O 3.39Å; T46-L119 HydrophobicContact CG2-CB 3.89Å; T46-L119 HydrophobicContact CG2-CD2 4.16Å; T46-L119 HydrophobicContact CG2-CG 4.48Å; L47-L119 PolarHBondContact N-O 3.06Å; L60-L119 HydrophobicContact CD1-CD2 3.91Å; L60-L119 HydrophobicContact CD2-CD2 3.99Å; L65-L119 HydrophobicContact CD1-CD2 4.07Å; V117-L119 WeakPolarHBondContact CG1-O 3.47Å; L119-M121 HydrophobicContact CD1-CG 4.03Å; L119-M121 HydrophobicContact CD2-CG 4.35Å; L119-M121 HydrophobicContact CD2-SD 4.15Å; L119-M121 HydrophobicContact CG-CG 4Å; L119-M121 HydrophobicContact CG-SD 4.45Å; L119-C171 WeakPolarHBondContact CA-O 3.48Å; L119-Y173 HydrophobicContact CD1-CD2 3.42Å; L119-Y173 VanDerWaalsContact CD1-CD2 3.42Å; L119-Y173 HydrophobicContact CD1-CE2 3.68Å
120	V	98.8	Very high	96.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.9	171.1	-177.4	0	0	0	0	108.8	L47 V49 V117 F158 A162 L166 C171 I172 Y173	L47-V120 HydrophobicContact CD2-CG1 4.46Å; L47-V120 CarbonylContact O-C 3.53Å; L47-V120 WeakPolarHBondContact O-CA 3.4Å; V49-V120 HydrophobicContact CG2-CG1 4.44Å; V117-V120 HydrophobicContact CB-CG2 4.2Å; V117-V120 HydrophobicContact CG1-CG2 3.68Å; V120-F158 HydrophobicContact CG1-CE2 3.68Å; V120-F158 HydrophobicContact CG1-CZ 3.83Å; V120-A162 HydrophobicContact CG1-CB 4.11Å; V120-L166 HydrophobicContact CG2-CD2 3.94Å; V120-C171 PolarHBondContact N-O 2.93Å; V120-I172 HydrophobicContact CB-CG1 4.2Å; V120-I172 CarbonylContact O-C 3.54Å; V120-I172 VanDerWaalsContact O-CA 3.23Å; V120-I172 WeakPolarHBondContact O-CA 3.37Å; V120-Y173 PolarHBondContact O-N 3.16Å
121	M	98.8	Very high	95.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142	178.6	-56.3	-178.5	-55.8	0	0	110	F27 L31 L47 E48 V49 I56 L60 L119 Y173	F27-M121 HydrophobicContact CE1-CB 4.22Å; F27-M121 HydrophobicContact CE1-CG 4.41Å; F27-M121 HydrophobicContact CE1-SD 4.35Å; F27-M121 HydrophobicContact CZ-CB 4.07Å; L31-M121 HydrophobicContact CD1-SD 4.06Å; L31-M121 HydrophobicContact CD2-SD 4.23Å; L47-M121 PolarHBondContact O-N 3.2Å; E48-M121 WeakPolarHBondContact CA-O 3.22Å; E48-M121 HydrophobicContact CB-CE 4.04Å; V49-M121 PolarHBondContact N-O 3.15Å; I56-M121 HydrophobicContact CG2-CE 3.93Å; I56-M121 HydrophobicContact CG2-SD 4.08Å; L60-M121 HydrophobicContact CB-CE 4.4Å; L60-M121 HydrophobicContact CD1-SD 4.27Å; L60-M121 HydrophobicContact CD2-CE 3.64Å; L60-M121 HydrophobicContact CD2-SD 4.04Å; L60-M121 HydrophobicContact CG-CE 4.49Å; L119-M121 HydrophobicContact CD1-CG 4.03Å; L119-M121 HydrophobicContact CD2-CG 4.35Å; L119-M121 HydrophobicContact CD2-SD 4.15Å; L119-M121 HydrophobicContact CG-CG 4Å; L119-M121 HydrophobicContact CG-SD 4.45Å; M121-Y173 CarbonylContact C-O 3.52Å; M121-Y173 WeakPolarHBondContact CA-O 3.45Å
122	F	98.8	Very high	95.3	Very high	6 Å²	6	45.3 Å²	45.3	3%	0.026	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	120.8	173.9	-168.3	-163.7	0	0	0	111.6	F27 V49 L105 P124 V154 F158 Y173 L174 L175	F27-F122 WeakPolarHBondContact CE2-O 3.41Å; V49-F122 HydrophobicContact CB-CB 4.46Å; V49-F122 HydrophobicContact CB-CD2 4.05Å; V49-F122 HydrophobicContact CB-CE2 4.39Å; V49-F122 HydrophobicContact CB-CG 4.22Å; V49-F122 HydrophobicContact CG1-CD2 4.18Å; V49-F122 HydrophobicContact CG1-CE2 4.02Å; V49-F122 HydrophobicContact CG1-CZ 4.25Å; V49-F122 WeakPolarHBondContact O-CD2 3.43Å; L105-F122 HydrophobicContact CD2-CE1 4.26Å; L105-F122 HydrophobicContact CD2-CZ 3.98Å; F122-P124 HydrophobicContact CD1-CB 3.91Å; F122-P124 HydrophobicContact CD1-CG 4.47Å; F122-P124 HydrophobicContact CD2-CB 4.15Å; F122-P124 HydrophobicContact CE1-CB 3.6Å; F122-P124 VanDerWaalsContact CE2-CA 3.48Å; F122-P124 HydrophobicContact CE2-CB 3.87Å; F122-P124 HydrophobicContact CG-CB 4.22Å; F122-P124 HydrophobicContact CZ-CB 3.59Å; F122-P124 VanDerWaalsContact O-CD 3.26Å; F122-P124 WeakPolarHBondContact O-CD 3.17Å; F122-V154 HydrophobicContact CE1-CG2 4.47Å; F122-V154 HydrophobicContact CZ-CG2 4.14Å; F122-F158 HydrophobicContact CB-CD2 4.27Å; F122-F158 HydrophobicContact CB-CE1 4.03Å; F122-F158 HydrophobicContact CB-CE2 3.67Å; F122-F158 HydrophobicContact CB-CZ 3.53Å; F122-F158 HydrophobicContact CD1-CB 3.9Å; F122-F158 AromaticContact CD1-CD1 3.55Å; F122-F158 HydrophobicContact CD1-CD1 3.55Å; F122-F158 AromaticContact CD1-CD2 3.45Å; F122-F158 HydrophobicContact CD1-CD2 3.45Å; F122-F158 VanDerWaalsContact CD1-CD2 3.45Å; F122-F158 AromaticContact CD1-CE1 3.85Å; F122-F158 HydrophobicContact CD1-CE1 3.85Å; F122-F158 AromaticContact CD1-CE2 3.75Å; F122-F158 HydrophobicContact CD1-CE2 3.75Å; F122-F158 AromaticContact CD1-CG 3.32Å; F122-F158 HydrophobicContact CD1-CG 3.32Å; F122-F158 AromaticContact CD1-CZ 3.94Å; F122-F158 HydrophobicContact CD1-CZ 3.94Å; F122-F158 HydrophobicContact CE1-CB 3.68Å; F122-F158 HydrophobicContact CE1-CD1 4.19Å; F122-F158 AromaticContact CE1-CD2 3.93Å; F122-F158 HydrophobicContact CE1-CD2 3.93Å; F122-F158 AromaticContact CE1-CG 3.66Å; F122-F158 HydrophobicContact CE1-CG 3.66Å; F122-F158 HydrophobicContact CG-CD2 4.08Å; F122-F158 HydrophobicContact CG-CE1 4.45Å; F122-F158 AromaticContact CG-CE2 3.99Å; F122-F158 HydrophobicContact CG-CE2 3.99Å; F122-F158 HydrophobicContact CG-CG 4.35Å; F122-F158 HydrophobicContact CG-CZ 4.18Å; F122-Y173 PolarHBondContact N-O 3.12Å; F122-L174 HydrophobicContact CB-CD1 3.96Å; F122-L174 HydrophobicContact CD1-CD1 3.95Å; F122-L174 HydrophobicContact CG-CD1 4.25Å; F122-L174 WeakPolarHBondContact O-CA 3.49Å; F122-L175 PolarHBondContact O-N 2.95Å; F122-L175 VanDerWaalsContact O-N 3.13Å
123	N	98.4	Very high	94.5	Very high	23 Å²	23	40 Å²	40	12%	0.123	22%	0.215	C	C	.	.			trans	-99.9	88.2	160.4	-176.2	27.6	0	0	0	108.4	D23 F27 I56 L175	D23-N123 PolarHBondContact OD2-ND2 2.87Å; F27-N123 HydrophobicContact CD2-CB 4.08Å; F27-N123 HydrophobicContact CE2-CB 4.36Å; I56-N123 HydrophobicContact CD1-CB 3.85Å; N123-L175 WeakPolarHBondContact OD1-CD1 3.35Å
124	P	97.3	Very high	93.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	22%	0.216	C	C	.	.			trans	-74.4	164.3	-170.9	31.5	-37.2	0	0	0	112.7	F122 Y126 V154 I155 L174 L175	F122-P124 HydrophobicContact CD1-CB 3.91Å; F122-P124 HydrophobicContact CD1-CG 4.47Å; F122-P124 HydrophobicContact CD2-CB 4.15Å; F122-P124 HydrophobicContact CE1-CB 3.6Å; F122-P124 VanDerWaalsContact CE2-CA 3.48Å; F122-P124 HydrophobicContact CE2-CB 3.87Å; F122-P124 HydrophobicContact CG-CB 4.22Å; F122-P124 HydrophobicContact CZ-CB 3.59Å; F122-P124 VanDerWaalsContact O-CD 3.26Å; F122-P124 WeakPolarHBondContact O-CD 3.17Å; P124-Y126 WeakPolarHBondContact O-CD1 3.47Å; P124-Y126 PolarHBondContact O-N 2.75Å; P124-V154 HydrophobicContact CB-CG2 4.46Å; P124-I155 HydrophobicContact CB-CD1 4.09Å; P124-I155 HydrophobicContact CB-CG1 3.69Å; P124-I155 HydrophobicContact CG-CD1 3.69Å; P124-I155 HydrophobicContact CG-CG1 3.79Å; P124-L174 HydrophobicContact CG-CD1 3.99Å; P124-L175 VanDerWaalsContact CD-O 3.31Å; P124-L175 WeakPolarHBondContact CD-O 3.42Å; P124-L175 WeakPolarHBondContact CG-O 3.27Å
125	P	95.1	Very high	93	Very high	17 Å²	17	41.4 Å²	41.4	11%	0.11	22%	0.223	C	C	.	.			trans	-64.6	104.5	155.4	28.5	-33	0	0	0	109.2	A143 S144 W145 S146 G147 V154	P125-A143 WeakPolarHBondContact CB-O 3.41Å; P125-S144 WeakPolarHBondContact CA-O 3.43Å; P125-S144 WeakPolarHBondContact CB-O 3.37Å; P125-W145 CarbonylContact C-O 3.16Å; P125-W145 VanDerWaalsContact CB-C 3.47Å; P125-S146 WeakPolarHBondContact CB-O 3.49Å; P125-G147 WeakPolarHBondContact O-CA 3.48Å; P125-V154 HydrophobicContact CG-CG2 3.45Å; P125-V154 VanDerWaalsContact CG-CG2 3.45Å
126	Y	94.5	Very high	92.4	Very high	12 Å²	12	41.5 Å²	41.5	5%	0.047	23%	0.234	C	C	.	.			trans	-105.8	-5.1	-172.7	52.3	-103.1	0	0	0	114.2	D23 P124 P128 W145 G151 L175 N180 E210 L212	D23-Y126 HydrophobicContact CB-CE1 4.16Å; D23-Y126 WeakPolarHBondContact CB-OH 3.28Å; D23-Y126 WeakPolarHBondContact OD2-CE1 3.48Å; D23-Y126 PolarHBondContact OD2-OH 3.35Å; D23-Y126 VanDerWaalsContact OD2-OH 3.11Å; P124-Y126 WeakPolarHBondContact O-CD1 3.47Å; P124-Y126 PolarHBondContact O-N 2.75Å; Y126-P128 WeakPolarHBondContact O-CD 3.48Å; Y126-W145 PolarHBondContact N-O 3.08Å; Y126-G151 WeakPolarHBondContact O-CA 3.41Å; Y126-L175 HydrophobicContact CD1-CD2 3.38Å; Y126-L175 HydrophobicContact CE1-CD2 3.49Å; Y126-L175 VanDerWaalsContact CE1-CD2 3.49Å; Y126-L175 HydrophobicContact CG-CD2 4.16Å; Y126-N180 VanDerWaalsContact CB-OD1 3.27Å; Y126-N180 WeakPolarHBondContact CB-OD1 3.28Å; Y126-N180 PolarHBondContact O-ND2 2.92Å; Y126-E210 WeakPolarHBondContact CE2-OE2 3.24Å; Y126-L212 HydrophobicContact CD2-CD2 3.99Å; Y126-L212 HydrophobicContact CE2-CD1 4.4Å; Y126-L212 HydrophobicContact CE2-CD2 3.59Å
127	V	93.2	Very high	91.4	Very high	34 Å²	34	39.2 Å²	39.2	21%	0.206	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-76.5	124	-174.7	-177.1	0	0	0	0	109.3	T129 W145 G147	V127-T129 PolarHBondContact O-N 3.19Å; V127-W145 WeakPolarHBondContact CB-O 3.47Å; V127-W145 HydrophobicContact CG2-CB 4.12Å; V127-W145 WeakPolarHBondContact CG2-O 3.48Å; V127-W145 PolarHBondContact N-O 3.11Å; V127-G147 PolarHBondContact O-N 3.32Å
128	P	92.6	Very high	90.4	Very high	53 Å²	53	43.4 Å²	43.4	34%	0.344	25%	0.247	S	C	.	.			trans	-60.5	124.8	175.1	-21.5	32	0	0	0	111.6	Y126 G148 D179	Y126-P128 WeakPolarHBondContact O-CD 3.48Å; P128-G148 WeakPolarHBondContact CA-O 3.33Å; P128-D179 HydrophobicContact CG-CB 3.51Å
129	T	90.8	Very high	89.3	Confident	33 Å²	33	45.5 Å²	45.5	20%	0.202	26%	0.264	C	S	.	.			trans	-136.2	166	176.6	52.4	0	0	0	0	109.4	V127 S146 G148 R149	V127-T129 PolarHBondContact O-N 3.19Å; T129-S146 WeakPolarHBondContact CB-OG 3.39Å; T129-S146 WeakPolarHBondContact CG2-OG 3.48Å; T129-S146 PolarHBondContact OG1-OG 2.89Å; T129-G148 PolarHBondContact N-O 3.44Å; T129-G148 CarbonylContact O-C 3.58Å; T129-G148 WeakPolarHBondContact O-CA 3.41Å; T129-G148 VanDerWaalsContact O-O 3.07Å; T129-G148 VanDerWaalsContact OG1-CA 3.31Å; T129-G148 WeakPolarHBondContact OG1-CA 3.49Å; T129-G148 PolarHBondContact OG1-N 2.98Å; T129-R149 PolarHBondContact O-N 2.85Å
130	T	87	Confident	88.4	Confident	75 Å²	75	48.5 Å²	48.5	46%	0.46	28%	0.282	S	S	.	.			trans	-66.1	148.5	170.5	64.8	0	0	0	0	109.7	D132 E133 H134	T130-D132 PolarHBondContact O-N 2.92Å; T130-E133 WeakPolarHBondContact CB-OE2 3.42Å; T130-E133 PolarHBondContact N-OE2 2.82Å; T130-E133 PolarHBondContact O-N 2.86Å; T130-E133 VanDerWaalsContact O-N 3.16Å; T130-E133 VanDerWaalsContact OG1-CB 3.28Å; T130-E133 WeakPolarHBondContact OG1-CB 3.5Å; T130-E133 WeakPolarHBondContact OG1-CG 3.09Å; T130-E133 PolarHBondContact OG1-N 2.99Å; T130-E133 VanDerWaalsContact OG1-N 3.14Å; T130-E133 PolarHBondContact OG1-OE2 2.93Å; T130-H134 PolarHBondContact O-N 3.18Å
131	S	84.1	Confident	87.5	Confident	42 Å²	42	50.4 Å²	50.4	29%	0.294	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-28.7	176.5	-59.2	0	0	0	0	112.4	K135 E153	S131-K135 WeakPolarHBondContact O-CB 3.28Å; S131-K135 WeakPolarHBondContact O-CD 3.45Å; S131-K135 WeakPolarHBondContact O-CG 3.08Å; S131-K135 PolarHBondContact O-N 3.16Å; S131-E153 WeakPolarHBondContact CA-OE1 3.35Å; S131-E153 VanDerWaalsContact CB-OE1 3.28Å; S131-E153 WeakPolarHBondContact CB-OE1 2.99Å; S131-E153 PolarHBondContact OG-OE1 2.96Å
132	D	85.1	Confident	86.6	Confident	116 Å²	116	53.1 Å²	53.1	62%	0.62	31%	0.309	S	S	*	.	H	α-helix	trans	-73	-41.4	176.9	-66.4	-24.2	0	0	0	111.6	T130 S136	T130-D132 PolarHBondContact O-N 2.92Å; D132-S136 VanDerWaalsContact O-CB 3.25Å; D132-S136 WeakPolarHBondContact O-CB 3.31Å; D132-S136 PolarHBondContact O-N 3.18Å; D132-S136 PolarHBondContact O-OG 2.61Å
133	E	81.9	Confident	85.9	Confident	110 Å²	110	53.9 Å²	53.9	51%	0.514	32%	0.316	S	S	.	.	H	α-helix	trans	-62.8	-43.4	171.6	-74	160.5	164.5	0	0	111.6	T130 S136 A137	T130-E133 WeakPolarHBondContact CB-OE2 3.42Å; T130-E133 PolarHBondContact N-OE2 2.82Å; T130-E133 PolarHBondContact O-N 2.86Å; T130-E133 VanDerWaalsContact O-N 3.16Å; T130-E133 VanDerWaalsContact OG1-CB 3.28Å; T130-E133 WeakPolarHBondContact OG1-CB 3.5Å; T130-E133 WeakPolarHBondContact OG1-CG 3.09Å; T130-E133 PolarHBondContact OG1-N 2.99Å; T130-E133 VanDerWaalsContact OG1-N 3.14Å; T130-E133 PolarHBondContact OG1-OE2 2.93Å; E133-S136 PolarHBondContact O-N 3.16Å; E133-A137 PolarHBondContact O-N 3.2Å
134	H	82.5	Confident	85.1	Confident	33 Å²	33	54.8 Å²	54.8	15%	0.153	32%	0.324	C	S	.	.	H	α-helix	trans	-60.3	-49.4	176.9	178.7	67.1	0	0	0	112.1	T130 S136 A137 S146 E153	T130-H134 PolarHBondContact O-N 3.18Å; H134-S136 VanDerWaalsContact C-N 3.29Å; H134-S136 PolarHBondContact O-N 2.83Å; H134-A137 WeakPolarHBondContact O-CB 3.47Å; H134-A137 PolarHBondContact O-N 2.96Å; H134-S146 WeakPolarHBondContact CA-OG 3.46Å; H134-S146 PolarHBondContact CE1-O 2.71Å; H134-S146 PolarHBondContact ND1-O 2.62Å; H134-E153 IonicContact CD2-OE2 2.68Å; H134-E153 PolarHBondContact CD2-OE2 3.38Å; H134-E153 IonicContact NE2-OE2 2.7Å
135	K	82.7	Confident	84.5	Confident	141 Å²	141	59.1 Å²	59.1	61%	0.613	34%	0.341	S	S	*	.	H	α-helix	trans	-63.8	-35.4	177.5	-72	168.6	-171	170.4	0	112.6	S131 A137	S131-K135 WeakPolarHBondContact O-CB 3.28Å; S131-K135 WeakPolarHBondContact O-CD 3.45Å; S131-K135 WeakPolarHBondContact O-CG 3.08Å; S131-K135 PolarHBondContact O-N 3.16Å; K135-A137 VanDerWaalsContact C-N 3.28Å; K135-A137 PolarHBondContact O-N 3.25Å
136	S	83.5	Confident	84.1	Confident	97 Å²	97	58.4 Å²	58.4	68%	0.678	34%	0.336	S	S	*	.	H	α-helix	trans	-71	-24.8	178.6	-58.8	0	0	0	0	112.6	D132 E133 H134 S138	D132-S136 VanDerWaalsContact O-CB 3.25Å; D132-S136 WeakPolarHBondContact O-CB 3.31Å; D132-S136 PolarHBondContact O-N 3.18Å; D132-S136 PolarHBondContact O-OG 2.61Å; E133-S136 PolarHBondContact O-N 3.16Å; H134-S136 VanDerWaalsContact C-N 3.29Å; H134-S136 PolarHBondContact O-N 2.83Å; S136-S138 VanDerWaalsContact C-N 3.3Å; S136-S138 PolarHBondContact O-N 2.71Å
137	A	79	Confident	83.9	Confident	6 Å²	6	57.8 Å²	57.8	5%	0.05	33%	0.333	C	S	.	.	H	α-helix	trans	-67.1	-28.1	179.1	0	0	0	0	0	113.1	E133 H134 K135 S139 T140 V142 A143	E133-A137 PolarHBondContact O-N 3.2Å; H134-A137 WeakPolarHBondContact O-CB 3.47Å; H134-A137 PolarHBondContact O-N 2.96Å; K135-A137 VanDerWaalsContact C-N 3.28Å; K135-A137 PolarHBondContact O-N 3.25Å; A137-S139 PolarHBondContact O-N 2.89Å; A137-T140 VanDerWaalsContact O-CB 3.31Å; A137-T140 WeakPolarHBondContact O-CB 3Å; A137-T140 WeakPolarHBondContact O-CG2 3.39Å; A137-T140 PolarHBondContact O-N 2.87Å; A137-T140 PolarHBondContact O-OG1 2.85Å; A137-V142 HydrophobicContact CB-CB 3.92Å; A137-V142 HydrophobicContact CB-CG1 3.82Å; A137-A143 HydrophobicContact CB-CB 3.99Å
138	S	77.8	Confident	83.8	Confident	87 Å²	87	56.2 Å²	56.2	61%	0.608	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.5	-124.3	175.2	-171.9	0	0	0	0	112.6	S136 A143	S136-S138 VanDerWaalsContact C-N 3.3Å; S136-S138 PolarHBondContact O-N 2.71Å; S138-A143 WeakPolarHBondContact O-CB 3.4Å
139	S	74.7	Confident	83.8	Confident	70 Å²	70	62.6 Å²	62.6	49%	0.49	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	18.9	175	68.9	0	0	0	0	113.6	A137	A137-S139 PolarHBondContact O-N 2.89Å
140	T	80.9	Confident	83.9	Confident	62 Å²	62	64.1 Å²	64.1	38%	0.38	35%	0.348	S	S	.	.	S	Bend	trans	-76.4	166.4	175.7	68	0	0	0	0	110.7	A137 V142 A143	A137-T140 VanDerWaalsContact O-CB 3.31Å; A137-T140 WeakPolarHBondContact O-CB 3Å; A137-T140 WeakPolarHBondContact O-CG2 3.39Å; A137-T140 PolarHBondContact O-N 2.87Å; A137-T140 PolarHBondContact O-OG1 2.85Å; T140-V142 PolarHBondContact O-N 2.83Å; T140-V142 PolarHBondContact OG1-N 3.02Å; T140-A143 VanDerWaalsContact O-CB 3.31Å; T140-A143 WeakPolarHBondContact O-CB 3.28Å; T140-A143 PolarHBondContact O-N 2.81Å
141	I	79.7	Confident	84.3	Confident	40 Å²	40	60.6 Å²	60.6	21%	0.205	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-54.5	-29.4	175.6	-159.7	-178.1	0	0	0	112.5	E16 A143 S144 W145	E16-I141 WeakPolarHBondContact O-CB 3.49Å; I141-A143 PolarHBondContact O-N 2.96Å; I141-S144 VanDerWaalsContact O-CB 3.29Å; I141-S144 WeakPolarHBondContact O-CB 3.27Å; I141-S144 PolarHBondContact O-N 2.98Å; I141-S144 PolarHBondContact O-OG 3.49Å; I141-W145 HydrophobicContact CB-CZ3 4.32Å; I141-W145 HydrophobicContact CD1-CZ3 4.27Å; I141-W145 HydrophobicContact CG1-CZ3 3.82Å; I141-W145 HydrophobicContact CG2-CH2 3.93Å; I141-W145 HydrophobicContact CG2-CZ3 4.11Å; I141-W145 VanDerWaalsContact O-CE3 3.27Å; I141-W145 WeakPolarHBondContact O-CZ3 3.47Å
142	V	79.7	Confident	84.9	Confident	58 Å²	58	59.7 Å²	59.7	35%	0.352	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-59.8	-31	177.2	-178.2	0	0	0	0	112.6	A137 T140 S144 W145 S146	A137-V142 HydrophobicContact CB-CB 3.92Å; A137-V142 HydrophobicContact CB-CG1 3.82Å; T140-V142 PolarHBondContact O-N 2.83Å; T140-V142 PolarHBondContact OG1-N 3.02Å; V142-S144 PolarHBondContact O-N 2.96Å; V142-W145 HydrophobicContact CB-CH2 4.4Å; V142-W145 HydrophobicContact CB-CZ2 3.98Å; V142-W145 HydrophobicContact CG1-CZ2 4.09Å; V142-W145 HydrophobicContact CG2-CH2 4.06Å; V142-W145 HydrophobicContact CG2-CZ2 3.76Å; V142-W145 PolarHBondContact O-N 3.03Å; V142-S146 WeakPolarHBondContact O-CB 3.21Å; V142-S146 PolarHBondContact O-N 3.18Å
143	A	83.5	Confident	85.4	Confident	22 Å²	22	57 Å²	57	18%	0.182	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-69.4	-16.4	178.8	0	0	0	0	0	113.1	P125 A137 S138 T140 I141 W145	P125-A143 WeakPolarHBondContact CB-O 3.41Å; A137-A143 HydrophobicContact CB-CB 3.99Å; S138-A143 WeakPolarHBondContact O-CB 3.4Å; T140-A143 VanDerWaalsContact O-CB 3.31Å; T140-A143 WeakPolarHBondContact O-CB 3.28Å; T140-A143 PolarHBondContact O-N 2.81Å; I141-A143 PolarHBondContact O-N 2.96Å; A143-W145 VanDerWaalsContact C-N 3.32Å
144	S	82.3	Confident	86.1	Confident	42 Å²	42	53.2 Å²	53.2	29%	0.294	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-73.1	-21.9	177.5	69.2	0	0	0	0	113.7	Y18 P125 I141 V142	Y18-S144 WeakPolarHBondContact CB-OG 3.48Å; Y18-S144 WeakPolarHBondContact CD2-OG 3.41Å; P125-S144 WeakPolarHBondContact CA-O 3.43Å; P125-S144 WeakPolarHBondContact CB-O 3.37Å; I141-S144 VanDerWaalsContact O-CB 3.29Å; I141-S144 WeakPolarHBondContact O-CB 3.27Å; I141-S144 PolarHBondContact O-N 2.98Å; I141-S144 PolarHBondContact O-OG 3.49Å; V142-S144 PolarHBondContact O-N 2.96Å
145	W	84.9	Confident	86.8	Confident	92 Å²	92	51.6 Å²	51.6	35%	0.348	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.3	-26.3	176.4	64.9	81.1	0	0	0	113.9	Y18 P125 Y126 V127 I141 V142 A143 G147	Y18-W145 HydrophobicContact CD2-CE3 4.03Å; Y18-W145 HydrophobicContact CD2-CZ3 4.42Å; Y18-W145 HydrophobicContact CE2-CE3 4.15Å; P125-W145 CarbonylContact C-O 3.16Å; P125-W145 VanDerWaalsContact CB-C 3.47Å; Y126-W145 PolarHBondContact N-O 3.08Å; V127-W145 WeakPolarHBondContact CB-O 3.47Å; V127-W145 HydrophobicContact CG2-CB 4.12Å; V127-W145 WeakPolarHBondContact CG2-O 3.48Å; V127-W145 PolarHBondContact N-O 3.11Å; I141-W145 HydrophobicContact CB-CZ3 4.32Å; I141-W145 HydrophobicContact CD1-CZ3 4.27Å; I141-W145 HydrophobicContact CG1-CZ3 3.82Å; I141-W145 HydrophobicContact CG2-CH2 3.93Å; I141-W145 HydrophobicContact CG2-CZ3 4.11Å; I141-W145 VanDerWaalsContact O-CE3 3.27Å; I141-W145 WeakPolarHBondContact O-CZ3 3.47Å; V142-W145 HydrophobicContact CB-CH2 4.4Å; V142-W145 HydrophobicContact CB-CZ2 3.98Å; V142-W145 HydrophobicContact CG1-CZ2 4.09Å; V142-W145 HydrophobicContact CG2-CH2 4.06Å; V142-W145 HydrophobicContact CG2-CZ2 3.76Å; V142-W145 PolarHBondContact O-N 3.03Å; A143-W145 VanDerWaalsContact C-N 3.32Å; W145-G147 PolarHBondContact O-N 3.48Å; W145-G147 VanDerWaalsContact O-N 3.16Å
146	S	86.7	Confident	87.5	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.007	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-70	106.6	-179.5	-178.7	0	0	0	0	111.3	P125 T129 H134 V142	P125-S146 WeakPolarHBondContact CB-O 3.49Å; T129-S146 WeakPolarHBondContact CB-OG 3.39Å; T129-S146 WeakPolarHBondContact CG2-OG 3.48Å; T129-S146 PolarHBondContact OG1-OG 2.89Å; H134-S146 WeakPolarHBondContact CA-OG 3.46Å; H134-S146 PolarHBondContact CE1-O 2.71Å; H134-S146 PolarHBondContact ND1-O 2.62Å; V142-S146 WeakPolarHBondContact O-CB 3.21Å; V142-S146 PolarHBondContact O-N 3.18Å
147	G	89.2	Confident	88.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.246	C	C	.	.			trans	-98.8	0.9	-176.9	0	0	0	0	0	115.3	P125 V127 W145 G151 R152 E153	P125-G147 WeakPolarHBondContact O-CA 3.48Å; V127-G147 PolarHBondContact O-N 3.32Å; W145-G147 PolarHBondContact O-N 3.48Å; W145-G147 VanDerWaalsContact O-N 3.16Å; G147-G151 CarbonylContact O-C 3.51Å; G147-G151 WeakPolarHBondContact O-CA 2.97Å; G147-R152 PolarHBondContact O-N 3.11Å; G147-R152 VanDerWaalsContact O-N 3.1Å; G147-E153 WeakPolarHBondContact O-CB 3.48Å; G147-E153 PolarHBondContact O-N 2.67Å
148	G	91.8	Very high	89.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.244	C	C	.	.			trans	70.5	-150.8	-178.4	0	0	0	0	0	112.7	P128 T129 L150 G151 E153	P128-G148 WeakPolarHBondContact CA-O 3.33Å; T129-G148 PolarHBondContact N-O 3.44Å; T129-G148 CarbonylContact O-C 3.58Å; T129-G148 WeakPolarHBondContact O-CA 3.41Å; T129-G148 VanDerWaalsContact O-O 3.07Å; T129-G148 VanDerWaalsContact OG1-CA 3.31Å; T129-G148 WeakPolarHBondContact OG1-CA 3.49Å; T129-G148 PolarHBondContact OG1-N 2.98Å; G148-L150 PolarHBondContact O-N 3.49Å; G148-G151 PolarHBondContact O-N 3.21Å; G148-E153 WeakPolarHBondContact CA-OE1 3.42Å
149	R	91.4	Very high	90.2	Very high	188 Å²	188	41 Å²	41	71%	0.709	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-56.3	124.5	-178.4	-179.8	174.9	177.4	173.6	-0.3	111.1	T129 G151 R152 E153	T129-R149 PolarHBondContact O-N 2.85Å; R149-G151 PolarHBondContact O-N 3.48Å; R149-R152 PolarHBondContact O-N 2.91Å; R149-E153 PolarHBondContact N-OE1 3.43Å
150	L	93.9	Very high	91.3	Very high	65 Å²	65	40 Å²	40	34%	0.34	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	56.9	9.8	-174.6	-57.7	172.2	0	0	0	114	G148 R152 N180	G148-L150 PolarHBondContact O-N 3.49Å; L150-R152 VanDerWaalsContact C-N 3.28Å; L150-R152 HydrophobicContact CB-CG 4.01Å; L150-R152 WeakPolarHBondContact O-CG 3.45Å; L150-R152 PolarHBondContact O-N 2.97Å; L150-N180 WeakPolarHBondContact O-CA 3.37Å; L150-N180 PolarHBondContact O-ND2 3.44Å
151	G	95.5	Very high	92.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	68.2	23.7	-170.5	0	0	0	0	0	114	Y126 G147 G148 R149 I155 N180	Y126-G151 WeakPolarHBondContact O-CA 3.41Å; G147-G151 CarbonylContact O-C 3.51Å; G147-G151 WeakPolarHBondContact O-CA 2.97Å; G148-G151 PolarHBondContact O-N 3.21Å; R149-G151 PolarHBondContact O-N 3.48Å; G151-I155 WeakPolarHBondContact O-CD1 3.26Å; G151-N180 PolarHBondContact O-ND2 3.47Å
152	R	96.8	Very high	93	Very high	24 Å²	24	36.3 Å²	36.3	9%	0.091	19%	0.185	C	C	.	.			trans	-119.9	8.4	-172.2	-50.6	-164.2	-26	-136.3	-5.1	116.2	G147 R149 L150 V154 I155 D156 N180 E184	G147-R152 PolarHBondContact O-N 3.11Å; G147-R152 VanDerWaalsContact O-N 3.1Å; R149-R152 PolarHBondContact O-N 2.91Å; L150-R152 VanDerWaalsContact C-N 3.28Å; L150-R152 HydrophobicContact CB-CG 4.01Å; L150-R152 WeakPolarHBondContact O-CG 3.45Å; L150-R152 PolarHBondContact O-N 2.97Å; R152-V154 PolarHBondContact O-N 3.17Å; R152-I155 HydrophobicContact CB-CB 4.21Å; R152-I155 PolarHBondContact O-N 2.94Å; R152-D156 WeakPolarHBondContact CB-OD1 3.37Å; R152-D156 IonicContact CZ-OD1 2.66Å; R152-D156 IonicContact CZ-OD2 3.31Å; R152-D156 IonicContact NE-OD1 3.85Å; R152-D156 PolarHBondContact NE-OD1 3.14Å; R152-D156 IonicContact NE-OD2 3.05Å; R152-D156 PolarHBondContact NE-OD2 3.27Å; R152-D156 IonicContact NH2-OD1 2.79Å; R152-D156 IonicContact NH2-OD2 3.6Å; R152-D156 PolarHBondContact NH2-OD2 3.16Å; R152-D156 PolarHBondContact O-N 3.39Å; R152-N180 WeakPolarHBondContact CD-O 3.48Å; R152-N180 HydrophobicContact CG-CB 4.12Å; R152-E184 IonicContact CZ-OE2 2.66Å; R152-E184 IonicContact NH1-OE2 3.93Å; R152-E184 PolarHBondContact NH1-OE2 3.45Å; R152-E184 IonicContact NH2-OE2 3.68Å
153	E	95	Very high	93.9	Very high	58 Å²	58	36 Å²	36	27%	0.271	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.9	-176.4	-72.6	-169.3	-155.7	0	0	112.9	S131 H134 G147 G148 R149 P157	S131-E153 WeakPolarHBondContact CA-OE1 3.35Å; S131-E153 VanDerWaalsContact CB-OE1 3.28Å; S131-E153 WeakPolarHBondContact CB-OE1 2.99Å; S131-E153 PolarHBondContact OG-OE1 2.96Å; H134-E153 IonicContact CD2-OE2 2.68Å; H134-E153 PolarHBondContact CD2-OE2 3.38Å; H134-E153 IonicContact NE2-OE2 2.7Å; G147-E153 WeakPolarHBondContact O-CB 3.48Å; G147-E153 PolarHBondContact O-N 2.67Å; G148-E153 WeakPolarHBondContact CA-OE1 3.42Å; R149-E153 PolarHBondContact N-OE1 3.43Å; E153-P157 WeakPolarHBondContact O-CD 3.32Å; E153-P157 VanDerWaalsContact O-CG 3.31Å; E153-P157 WeakPolarHBondContact O-CG 3.4Å
154	V	95.7	Very high	94.6	Very high	31 Å²	31	37.4 Å²	37.4	19%	0.188	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-23.6	173.1	-58	0	0	0	0	113.8	L105 F122 P124 P125 R152 F158	L105-V154 HydrophobicContact CD2-CB 4.44Å; F122-V154 HydrophobicContact CE1-CG2 4.47Å; F122-V154 HydrophobicContact CZ-CG2 4.14Å; P124-V154 HydrophobicContact CB-CG2 4.46Å; P125-V154 HydrophobicContact CG-CG2 3.45Å; P125-V154 VanDerWaalsContact CG-CG2 3.45Å; R152-V154 PolarHBondContact O-N 3.17Å; V154-F158 VanDerWaalsContact O-CB 3.23Å; V154-F158 WeakPolarHBondContact O-CB 3.18Å; V154-F158 PolarHBondContact O-N 3.32Å; V154-F158 VanDerWaalsContact O-N 3.11Å
155	I	98.4	Very high	95.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.6	-50	177.6	-61.1	180	0	0	0	109.6	P124 G151 R152 F158 L159 L174 L176	P124-I155 HydrophobicContact CB-CD1 4.09Å; P124-I155 HydrophobicContact CB-CG1 3.69Å; P124-I155 HydrophobicContact CG-CD1 3.69Å; P124-I155 HydrophobicContact CG-CG1 3.79Å; G151-I155 WeakPolarHBondContact O-CD1 3.26Å; R152-I155 HydrophobicContact CB-CB 4.21Å; R152-I155 PolarHBondContact O-N 2.94Å; I155-F158 WeakPolarHBondContact O-CA 3.32Å; I155-F158 VanDerWaalsContact O-CB 3.31Å; I155-F158 WeakPolarHBondContact O-CB 3.25Å; I155-F158 PolarHBondContact O-N 3.19Å; I155-L159 HydrophobicContact CG2-CD2 4.36Å; I155-L159 HydrophobicContact CG2-CG 4.44Å; I155-L159 WeakPolarHBondContact O-CG 3.32Å; I155-L159 PolarHBondContact O-N 3.45Å; I155-L174 HydrophobicContact CG2-CD2 4.22Å; I155-L176 HydrophobicContact CD1-CD2 3.78Å; I155-L176 HydrophobicContact CG2-CD2 4.24Å
156	D	98.1	Very high	96	Very high	47 Å²	47	31.2 Å²	31.2	25%	0.251	15%	0.153	S	C	.	.	H	α-helix	trans	-60.7	-47.2	-174.5	-72.2	4.2	0	0	0	112	R152 F158 L159 M188	R152-D156 WeakPolarHBondContact CB-OD1 3.37Å; R152-D156 IonicContact CZ-OD1 2.66Å; R152-D156 IonicContact CZ-OD2 3.31Å; R152-D156 IonicContact NE-OD1 3.85Å; R152-D156 PolarHBondContact NE-OD1 3.14Å; R152-D156 IonicContact NE-OD2 3.05Å; R152-D156 PolarHBondContact NE-OD2 3.27Å; R152-D156 IonicContact NH2-OD1 2.79Å; R152-D156 IonicContact NH2-OD2 3.6Å; R152-D156 PolarHBondContact NH2-OD2 3.16Å; R152-D156 PolarHBondContact O-N 3.39Å; D156-F158 PolarHBondContact O-N 3.21Å; D156-L159 PolarHBondContact O-N 3.31Å; D156-M188 HydrophobicContact CB-CE 4Å
157	P	98	Very high	96.5	Very high	60 Å²	60	31.6 Å²	31.6	39%	0.39	16%	0.155	S	C	.	.	H	α-helix	trans	-62.2	-38.3	171.1	-23.7	34.3	0	0	0	113.5	L105 E153 L159 S160 Q161	L105-P157 HydrophobicContact CD1-CB 3.98Å; E153-P157 WeakPolarHBondContact O-CD 3.32Å; E153-P157 VanDerWaalsContact O-CG 3.31Å; E153-P157 WeakPolarHBondContact O-CG 3.4Å; P157-L159 VanDerWaalsContact C-N 3.32Å; P157-L159 PolarHBondContact O-N 3.04Å; P157-S160 PolarHBondContact O-N 3.24Å; P157-Q161 WeakPolarHBondContact O-CG 3.34Å; P157-Q161 PolarHBondContact O-N 3.13Å
158	F	98.6	Very high	96.9	Very high	2 Å²	2	35.4 Å²	35.4	1%	0.009	18%	0.18	C	C	.	.	H	α-helix	trans	-58.2	-41.8	177	160.7	-93.3	0	0	0	111.9	V49 L105 V120 F122 V154 I155 D156 S160 Q161 A162 I172 L174	V49-F158 HydrophobicContact CB-CD2 4.27Å; V49-F158 HydrophobicContact CB-CE2 4.14Å; V49-F158 HydrophobicContact CG1-CD2 4.3Å; V49-F158 HydrophobicContact CG2-CD2 4.15Å; V49-F158 HydrophobicContact CG2-CE2 3.88Å; L105-F158 HydrophobicContact CD1-CB 4.48Å; L105-F158 HydrophobicContact CD2-CB 4.44Å; V120-F158 HydrophobicContact CG1-CE2 3.68Å; V120-F158 HydrophobicContact CG1-CZ 3.83Å; F122-F158 HydrophobicContact CB-CD2 4.27Å; F122-F158 HydrophobicContact CB-CE1 4.03Å; F122-F158 HydrophobicContact CB-CE2 3.67Å; F122-F158 HydrophobicContact CB-CZ 3.53Å; F122-F158 HydrophobicContact CD1-CB 3.9Å; F122-F158 AromaticContact CD1-CD1 3.55Å; F122-F158 HydrophobicContact CD1-CD1 3.55Å; F122-F158 AromaticContact CD1-CD2 3.45Å; F122-F158 HydrophobicContact CD1-CD2 3.45Å; F122-F158 VanDerWaalsContact CD1-CD2 3.45Å; F122-F158 AromaticContact CD1-CE1 3.85Å; F122-F158 HydrophobicContact CD1-CE1 3.85Å; F122-F158 AromaticContact CD1-CE2 3.75Å; F122-F158 HydrophobicContact CD1-CE2 3.75Å; F122-F158 AromaticContact CD1-CG 3.32Å; F122-F158 HydrophobicContact CD1-CG 3.32Å; F122-F158 AromaticContact CD1-CZ 3.94Å; F122-F158 HydrophobicContact CD1-CZ 3.94Å; F122-F158 HydrophobicContact CE1-CB 3.68Å; F122-F158 HydrophobicContact CE1-CD1 4.19Å; F122-F158 AromaticContact CE1-CD2 3.93Å; F122-F158 HydrophobicContact CE1-CD2 3.93Å; F122-F158 AromaticContact CE1-CG 3.66Å; F122-F158 HydrophobicContact CE1-CG 3.66Å; F122-F158 HydrophobicContact CG-CD2 4.08Å; F122-F158 HydrophobicContact CG-CE1 4.45Å; F122-F158 AromaticContact CG-CE2 3.99Å; F122-F158 HydrophobicContact CG-CE2 3.99Å; F122-F158 HydrophobicContact CG-CG 4.35Å; F122-F158 HydrophobicContact CG-CZ 4.18Å; V154-F158 VanDerWaalsContact O-CB 3.23Å; V154-F158 WeakPolarHBondContact O-CB 3.18Å; V154-F158 PolarHBondContact O-N 3.32Å; V154-F158 VanDerWaalsContact O-N 3.11Å; I155-F158 WeakPolarHBondContact O-CA 3.32Å; I155-F158 VanDerWaalsContact O-CB 3.31Å; I155-F158 WeakPolarHBondContact O-CB 3.25Å; I155-F158 PolarHBondContact O-N 3.19Å; D156-F158 PolarHBondContact O-N 3.21Å; F158-S160 VanDerWaalsContact C-N 3.27Å; F158-S160 PolarHBondContact O-N 2.86Å; F158-Q161 PolarHBondContact O-N 2.78Å; F158-A162 HydrophobicContact CD1-CB 4.49Å; F158-A162 HydrophobicContact CD2-CB 4.33Å; F158-A162 HydrophobicContact CE1-CB 4.05Å; F158-A162 HydrophobicContact CE2-CB 3.88Å; F158-A162 HydrophobicContact CZ-CB 3.73Å; F158-A162 WeakPolarHBondContact O-CB 3.37Å; F158-A162 PolarHBondContact O-N 2.95Å; F158-I172 HydrophobicContact CE1-CG2 4.01Å; F158-I172 HydrophobicContact CZ-CG2 3.86Å; F158-L174 HydrophobicContact CD1-CD1 4.35Å; F158-L174 HydrophobicContact CE1-CD1 3.99Å; F158-L174 HydrophobicContact CE1-CD2 4.37Å
159	L	98.6	Very high	97	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.8	-43.7	-178.3	-59.8	177	0	0	0	111.9	I155 D156 P157 Y163 L174 V185 M188 M189 L192	I155-L159 HydrophobicContact CG2-CD2 4.36Å; I155-L159 HydrophobicContact CG2-CG 4.44Å; I155-L159 WeakPolarHBondContact O-CG 3.32Å; I155-L159 PolarHBondContact O-N 3.45Å; D156-L159 PolarHBondContact O-N 3.31Å; P157-L159 VanDerWaalsContact C-N 3.32Å; P157-L159 PolarHBondContact O-N 3.04Å; L159-Y163 WeakPolarHBondContact O-CB 3.15Å; L159-Y163 PolarHBondContact O-N 3.19Å; L159-Y163 VanDerWaalsContact O-N 3.1Å; L159-L174 HydrophobicContact CD2-CD2 3.85Å; L159-V185 HydrophobicContact CD1-CG1 3.88Å; L159-V185 HydrophobicContact CD2-CG1 3.91Å; L159-M188 HydrophobicContact CD1-CB 3.92Å; L159-M188 HydrophobicContact CD1-CE 4.05Å; L159-M188 HydrophobicContact CD1-SD 4.31Å; L159-M189 HydrophobicContact CB-CE 3.77Å; L159-M189 HydrophobicContact CD2-CE 3.56Å; L159-M189 HydrophobicContact CG-CE 4.18Å; L159-L192 HydrophobicContact CB-CD1 3.83Å
160	S	98.1	Very high	97.3	Very high	48 Å²	48	33.5 Å²	33.5	34%	0.336	18%	0.179	S	C	.	.	H	α-helix	trans	-68.6	-39.4	177.4	-176.5	0	0	0	0	112.1	P157 F158 N164	P157-S160 PolarHBondContact O-N 3.24Å; F158-S160 VanDerWaalsContact C-N 3.27Å; F158-S160 PolarHBondContact O-N 2.86Å; S160-N164 WeakPolarHBondContact O-CB 3.31Å; S160-N164 VanDerWaalsContact O-CG 3.24Å; S160-N164 PolarHBondContact O-N 3.02Å; S160-N164 PolarHBondContact O-ND2 3.27Å
161	Q	98.6	Very high	97.5	Very high	24 Å²	24	30.4 Å²	30.4	11%	0.112	16%	0.163	C	C	.	.	H	α-helix	trans	-65.7	-48.9	178	-69.2	-166.2	19.1	0	0	111.3	L105 T107 L110 P157 F158 Y163 N164 L165	L105-Q161 VanDerWaalsContact CB-OE1 3.28Å; T107-Q161 PolarHBondContact OG1-NE2 3.26Å; T107-Q161 VanDerWaalsContact OG1-NE2 3.12Å; L110-Q161 HydrophobicContact CD1-CG 4.09Å; L110-Q161 HydrophobicContact CD2-CB 3.78Å; L110-Q161 HydrophobicContact CD2-CG 3.91Å; P157-Q161 WeakPolarHBondContact O-CG 3.34Å; P157-Q161 PolarHBondContact O-N 3.13Å; F158-Q161 PolarHBondContact O-N 2.78Å; Q161-Y163 PolarHBondContact O-N 2.76Å; Q161-N164 PolarHBondContact O-N 3.39Å; Q161-L165 VanDerWaalsContact O-CG 3.26Å; Q161-L165 WeakPolarHBondContact O-CG 3.39Å; Q161-L165 PolarHBondContact O-N 2.91Å
162	A	98.5	Very high	97.7	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.008	16%	0.163	C	C	.	.	H	α-helix	trans	-57.1	-50.2	179.1	0	0	0	0	0	110.7	V120 F158 N164 L165 L166 I172	V120-A162 HydrophobicContact CG1-CB 4.11Å; F158-A162 HydrophobicContact CD1-CB 4.49Å; F158-A162 HydrophobicContact CD2-CB 4.33Å; F158-A162 HydrophobicContact CE1-CB 4.05Å; F158-A162 HydrophobicContact CE2-CB 3.88Å; F158-A162 HydrophobicContact CZ-CB 3.73Å; F158-A162 WeakPolarHBondContact O-CB 3.37Å; F158-A162 PolarHBondContact O-N 2.95Å; A162-N164 VanDerWaalsContact C-N 3.34Å; A162-N164 PolarHBondContact O-N 2.98Å; A162-L165 PolarHBondContact O-N 3Å; A162-L165 VanDerWaalsContact O-N 3.11Å; A162-L166 WeakPolarHBondContact O-CG 3.36Å; A162-L166 PolarHBondContact O-N 3.46Å; A162-I172 HydrophobicContact CB-CD1 3.67Å; A162-I172 HydrophobicContact CB-CG1 4.07Å
163	Y	98	Very high	97.8	Very high	50 Å²	50	29.3 Å²	29.3	20%	0.196	16%	0.159	C	C	.	.	H	α-helix	trans	-58.1	-43.4	177.4	175.2	-109	0	0	0	113	L159 Q161 L165 L166 L192 L197	L159-Y163 WeakPolarHBondContact O-CB 3.15Å; L159-Y163 PolarHBondContact O-N 3.19Å; L159-Y163 VanDerWaalsContact O-N 3.1Å; Q161-Y163 PolarHBondContact O-N 2.76Å; Y163-L165 PolarHBondContact O-N 3.3Å; Y163-L166 PolarHBondContact O-N 2.87Å; Y163-L192 WeakPolarHBondContact CE1-O 3.42Å; Y163-L197 HydrophobicContact CD2-CD1 4Å
164	N	98.1	Very high	98	Very high	52 Å²	52	26.5 Å²	26.5	28%	0.278	15%	0.146	S	C	.	.	H	α-helix	trans	-66.4	-26.9	178.9	-73	-20.5	0	0	0	113.1	Y114 Q115 S160 Q161 A162	Y114-N164 HydrophobicContact CD2-CB 4.27Å; Y114-N164 WeakPolarHBondContact CD2-O 3.26Å; Y114-N164 HydrophobicContact CE2-CB 4.17Å; Q115-N164 PolarHBondContact N-O 3.36Å; S160-N164 WeakPolarHBondContact O-CB 3.31Å; S160-N164 VanDerWaalsContact O-CG 3.24Å; S160-N164 PolarHBondContact O-N 3.02Å; S160-N164 PolarHBondContact O-ND2 3.27Å; Q161-N164 PolarHBondContact O-N 3.39Å; A162-N164 VanDerWaalsContact C-N 3.34Å; A162-N164 PolarHBondContact O-N 2.98Å
165	L	98.6	Very high	98.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-81.5	-26.9	176.7	-69.9	166.7	0	0	0	112.5	L47 A106 L110 L113 Q115 S116 V117 Q161 A162 Y163 S167	L47-L165 HydrophobicContact CD2-CD1 3.76Å; A106-L165 HydrophobicContact CB-CD1 3.55Å; L110-L165 HydrophobicContact CD2-CD1 4.1Å; L110-L165 HydrophobicContact CD2-CD2 4.2Å; L110-L165 HydrophobicContact CD2-CG 3.93Å; L113-L165 HydrophobicContact CB-CD2 3.66Å; Q115-L165 CarbonylContact C-O 3.48Å; Q115-L165 WeakPolarHBondContact CA-O 3.36Å; Q115-L165 PolarHBondContact N-O 2.56Å; S116-L165 PolarHBondContact N-O 3.21Å; V117-L165 HydrophobicContact CB-CB 4.27Å; V117-L165 HydrophobicContact CG2-CB 3.93Å; V117-L165 HydrophobicContact CG2-CD2 4.33Å; V117-L165 PolarHBondContact N-O 2.79Å; Q161-L165 VanDerWaalsContact O-CG 3.26Å; Q161-L165 WeakPolarHBondContact O-CG 3.39Å; Q161-L165 PolarHBondContact O-N 2.91Å; A162-L165 PolarHBondContact O-N 3Å; A162-L165 VanDerWaalsContact O-N 3.11Å; Y163-L165 PolarHBondContact O-N 3.3Å; L165-S167 PolarHBondContact O-N 3.3Å
166	L	98.3	Very high	98.1	Very high	3 Å²	3	25 Å²	25	2%	0.016	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	131.3	-171.5	-79.7	-176.6	0	0	0	114	Q115 V117 V120 A162 Y163 C171 I172 L197	Q115-L166 VanDerWaalsContact CA-O 3.24Å; Q115-L166 WeakPolarHBondContact CA-O 3.45Å; V117-L166 CarbonylContact O-C 3.15Å; V117-L166 WeakPolarHBondContact O-CA 3.43Å; V120-L166 HydrophobicContact CG2-CD2 3.94Å; A162-L166 WeakPolarHBondContact O-CG 3.36Å; A162-L166 PolarHBondContact O-N 3.46Å; Y163-L166 PolarHBondContact O-N 2.87Å; L166-C171 WeakPolarHBondContact CD2-O 3.08Å; L166-I172 HydrophobicContact CD1-CD1 3.75Å; L166-I172 HydrophobicContact CD1-CG1 3.84Å; L166-I172 HydrophobicContact CD2-CG1 4.11Å; L166-I172 HydrophobicContact CG-CD1 4.34Å; L166-I172 HydrophobicContact CG-CG1 4.17Å; L166-L197 HydrophobicContact CD1-CD1 3.6Å; L166-L197 HydrophobicContact CD1-CD2 4.34Å
167	S	98.1	Very high	98	Very high	9 Å²	9	22.9 Å²	22.9	6%	0.063	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	166.3	167.1	79.8	0	0	0	0	112	Q115 V117 D118 L165 H169 G170 R196	Q115-S167 WeakPolarHBondContact O-CA 3.44Å; V117-S167 PolarHBondContact O-N 3.03Å; D118-S167 WeakPolarHBondContact OD1-CB 3.27Å; D118-S167 PolarHBondContact OD1-OG 2.46Å; L165-S167 PolarHBondContact O-N 3.3Å; S167-H169 PolarHBondContact O-N 3.36Å; S167-G170 PolarHBondContact O-N 2.82Å; S167-G170 VanDerWaalsContact O-N 3.07Å; S167-G170 PolarHBondContact OG-N 3.49Å; S167-R196 PolarHBondContact O-NH1 2.75Å; S167-R196 VanDerWaalsContact O-NH1 3.15Å; S167-R196 PolarHBondContact O-NH2 3.46Å
168	P	95.9	Very high	97.9	Very high	80 Å²	80	28.4 Å²	28.4	52%	0.519	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	-26.3	176.8	-31.8	38.6	0	0	0	115.3	R196	P168-R196 PolarHBondContact O-NH1 2.86Å
169	H	94.8	Very high	97.8	Very high	149 Å²	149	32.2 Å²	32.2	69%	0.69	16%	0.159	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.9	1.3	179.9	-57.5	-59.9	0	0	0	113.4	L41 S167	L41-H169 VanDerWaalsContact CD1-O 3.29Å; L41-H169 WeakPolarHBondContact CD1-O 3.5Å; S167-H169 PolarHBondContact O-N 3.36Å
170	G	97.9	Very high	97.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	157.7	-174.6	0	0	0	0	0	114	D118 S167 R196	D118-G170 CarbonylContact O-C 3.49Å; D118-G170 WeakPolarHBondContact O-CA 3.18Å; S167-G170 PolarHBondContact O-N 2.82Å; S167-G170 VanDerWaalsContact O-N 3.07Å; S167-G170 PolarHBondContact OG-N 3.49Å; G170-R196 PolarHBondContact O-NH2 3Å
171	C	98.5	Very high	97.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	163.6	179.7	68.6	0	0	0	0	112.9	F37 D118 L119 V120 L166 R216 Y217	F37-C171 HydrophobicContact CE1-CB 4.36Å; F37-C171 HydrophobicContact CZ-CB 4.47Å; D118-C171 PolarHBondContact O-N 3.41Å; L119-C171 WeakPolarHBondContact CA-O 3.48Å; V120-C171 PolarHBondContact N-O 2.93Å; L166-C171 WeakPolarHBondContact CD2-O 3.08Å; C171-R216 HydrophobicContact CB-CG 4.41Å; C171-Y217 CarbonylContact C-O 3.56Å; C171-Y217 WeakPolarHBondContact CA-O 3.38Å; C171-Y217 VanDerWaalsContact CB-O 3.3Å; C171-Y217 WeakPolarHBondContact CB-O 3.44Å
172	I	98.8	Very high	97.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	134.9	177	-58.8	156.6	0	0	0	109.2	V120 F158 A162 L166 L174 M189 L197 R216 Y217	V120-I172 HydrophobicContact CB-CG1 4.2Å; V120-I172 CarbonylContact O-C 3.54Å; V120-I172 VanDerWaalsContact O-CA 3.23Å; V120-I172 WeakPolarHBondContact O-CA 3.37Å; F158-I172 HydrophobicContact CE1-CG2 4.01Å; F158-I172 HydrophobicContact CZ-CG2 3.86Å; A162-I172 HydrophobicContact CB-CD1 3.67Å; A162-I172 HydrophobicContact CB-CG1 4.07Å; L166-I172 HydrophobicContact CD1-CD1 3.75Å; L166-I172 HydrophobicContact CD1-CG1 3.84Å; L166-I172 HydrophobicContact CD2-CG1 4.11Å; L166-I172 HydrophobicContact CG-CD1 4.34Å; L166-I172 HydrophobicContact CG-CG1 4.17Å; I172-L174 HydrophobicContact CG2-CB 4.35Å; I172-M189 HydrophobicContact CD1-CE 3.63Å; I172-M189 HydrophobicContact CD1-SD 4.03Å; I172-L197 HydrophobicContact CD1-CD1 4.32Å; I172-R216 CarbonylContact O-C 3.56Å; I172-R216 VanDerWaalsContact O-CA 3.27Å; I172-R216 WeakPolarHBondContact O-CA 3.29Å; I172-Y217 HydrophobicContact CB-CD2 4.27Å; I172-Y217 HydrophobicContact CG2-CD2 4.37Å; I172-Y217 PolarHBondContact N-O 3.31Å; I172-Y217 PolarHBondContact O-N 2.81Å
173	Y	98.9	Very high	97.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	127	162.7	-73.1	-110.2	0	0	0	108.9	L31 D34 L38 L119 V120 M121 F122 I202 V214 F215 R216	L31-Y173 HydrophobicContact CD2-CD1 4Å; L31-Y173 HydrophobicContact CD2-CE1 4.12Å; L31-Y173 HydrophobicContact CD2-CG 4.26Å; D34-Y173 HydrophobicContact CB-CE1 4.31Å; D34-Y173 WeakPolarHBondContact OD2-CE1 3.46Å; D34-Y173 PolarHBondContact OD2-OH 2.82Å; L38-Y173 HydrophobicContact CD2-CE2 3.77Å; L119-Y173 HydrophobicContact CD1-CD2 3.42Å; L119-Y173 VanDerWaalsContact CD1-CD2 3.42Å; L119-Y173 HydrophobicContact CD1-CE2 3.68Å; V120-Y173 PolarHBondContact O-N 3.16Å; M121-Y173 CarbonylContact C-O 3.52Å; M121-Y173 WeakPolarHBondContact CA-O 3.45Å; F122-Y173 PolarHBondContact N-O 3.12Å; Y173-I202 HydrophobicContact CE1-CG1 4.16Å; Y173-V214 HydrophobicContact CD1-CG1 4.08Å; Y173-F215 WeakPolarHBondContact CA-O 3.42Å; Y173-R216 HydrophobicContact CD1-CB 4.39Å; Y173-R216 HydrophobicContact CD2-CG 4.29Å; Y173-R216 HydrophobicContact CE1-CB 4.1Å; Y173-R216 HydrophobicContact CE1-CG 4.26Å; Y173-R216 HydrophobicContact CE2-CG 3.83Å; Y173-R216 VanDerWaalsContact OH-CD 3.29Å; Y173-R216 WeakPolarHBondContact OH-CD 3.21Å
174	L	98.9	Very high	97.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	126.6	-176.6	176.2	64.2	0	0	0	109.3	F122 P124 I155 F158 L159 I172 L176 V185 F215 Y217	F122-L174 HydrophobicContact CB-CD1 3.96Å; F122-L174 HydrophobicContact CD1-CD1 3.95Å; F122-L174 HydrophobicContact CG-CD1 4.25Å; F122-L174 WeakPolarHBondContact O-CA 3.49Å; P124-L174 HydrophobicContact CG-CD1 3.99Å; I155-L174 HydrophobicContact CG2-CD2 4.22Å; F158-L174 HydrophobicContact CD1-CD1 4.35Å; F158-L174 HydrophobicContact CE1-CD1 3.99Å; F158-L174 HydrophobicContact CE1-CD2 4.37Å; L159-L174 HydrophobicContact CD2-CD2 3.85Å; I172-L174 HydrophobicContact CG2-CB 4.35Å; L174-L176 HydrophobicContact CD2-CD1 4.36Å; L174-L176 HydrophobicContact CD2-CD2 3.86Å; L174-L176 HydrophobicContact CD2-CG 4.15Å; L174-L176 HydrophobicContact CG-CD2 3.96Å; L174-L176 HydrophobicContact CG-CG 4.07Å; L174-V185 HydrophobicContact CD2-CG1 4.12Å; L174-F215 PolarHBondContact N-O 3.48Å; L174-F215 PolarHBondContact O-N 3.18Å; L174-Y217 HydrophobicContact CB-CE2 4.02Å; L174-Y217 HydrophobicContact CD2-CE2 4.13Å
175	L	98.6	Very high	97.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	132.2	169.2	-173	149.1	0	0	0	109.4	D23 L26 F27 F122 N123 P124 Y126 L212 T213 V214	D23-L175 HydrophobicContact CB-CD1 4.01Å; D23-L175 WeakPolarHBondContact O-CD1 3.23Å; L26-L175 HydrophobicContact CD2-CD1 4.21Å; F27-L175 HydrophobicContact CD2-CB 3.95Å; F27-L175 HydrophobicContact CD2-CD1 4.35Å; F27-L175 HydrophobicContact CE2-CB 4.07Å; F122-L175 PolarHBondContact O-N 2.95Å; F122-L175 VanDerWaalsContact O-N 3.13Å; N123-L175 WeakPolarHBondContact OD1-CD1 3.35Å; P124-L175 VanDerWaalsContact CD-O 3.31Å; P124-L175 WeakPolarHBondContact CD-O 3.42Å; P124-L175 WeakPolarHBondContact CG-O 3.27Å; Y126-L175 HydrophobicContact CD1-CD2 3.38Å; Y126-L175 HydrophobicContact CE1-CD2 3.49Å; Y126-L175 VanDerWaalsContact CE1-CD2 3.49Å; Y126-L175 HydrophobicContact CG-CD2 4.16Å; L175-L212 HydrophobicContact CD2-CB 4.48Å; L175-L212 HydrophobicContact CD2-CD2 4.23Å; L175-T213 WeakPolarHBondContact CA-O 3.42Å; L175-V214 HydrophobicContact CB-CG2 4.35Å; L175-V214 HydrophobicContact CD1-CG2 4.15Å; L175-V214 HydrophobicContact CG-CG2 4.39Å
176	L	98.4	Very high	97.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.6	174.5	-63.7	175.3	0	0	0	110	I155 L174 N180 P182 V185 T213 F215	I155-L176 HydrophobicContact CD1-CD2 3.78Å; I155-L176 HydrophobicContact CG2-CD2 4.24Å; L174-L176 HydrophobicContact CD2-CD1 4.36Å; L174-L176 HydrophobicContact CD2-CD2 3.86Å; L174-L176 HydrophobicContact CD2-CG 4.15Å; L174-L176 HydrophobicContact CG-CD2 3.96Å; L174-L176 HydrophobicContact CG-CG 4.07Å; L176-N180 HydrophobicContact CD2-CB 4.1Å; L176-P182 HydrophobicContact CB-CG 4.24Å; L176-P182 HydrophobicContact CD1-CB 3.99Å; L176-P182 HydrophobicContact CD1-CG 4.31Å; L176-V185 HydrophobicContact CD1-CB 3.99Å; L176-V185 HydrophobicContact CD1-CG1 3.88Å; L176-V185 HydrophobicContact CD1-CG2 4.21Å; L176-V185 HydrophobicContact CD2-CG1 4.48Å; L176-V185 HydrophobicContact CD2-CG2 4.39Å; L176-T213 PolarHBondContact N-O 3.46Å; L176-T213 PolarHBondContact O-N 2.9Å; L176-F215 HydrophobicContact CB-CD2 4.2Å; L176-F215 HydrophobicContact CB-CE2 4.09Å; L176-F215 HydrophobicContact CD1-CD2 3.86Å; L176-F215 HydrophobicContact CD1-CE2 4.05Å; L176-F215 HydrophobicContact CG-CD2 4.21Å; L176-F215 HydrophobicContact CG-CE2 4.48Å
177	S	96.8	Very high	97.7	Very high	1 Å²	1	45 Å²	45	1%	0.007	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	160.7	161.8	83	0	0	0	0	110.4	D179 N180 F211	S177-D179 PolarHBondContact O-N 3.42Å; S177-D179 PolarHBondContact OG-N 3.48Å; S177-N180 PolarHBondContact N-OD1 3.49Å; S177-N180 WeakPolarHBondContact O-CB 3.43Å; S177-N180 PolarHBondContact O-N 2.87Å; S177-N180 VanDerWaalsContact O-N 3.12Å; S177-N180 VanDerWaalsContact OG-CG 3.28Å; S177-N180 PolarHBondContact OG-N 3.17Å; S177-N180 PolarHBondContact OG-ND2 2.61Å; S177-N180 PolarHBondContact OG-OD1 3.01Å; S177-F211 CarbonylContact C-O 3.54Å; S177-F211 WeakPolarHBondContact CA-O 3.19Å
178	R	95.9	Very high	97.7	Very high	176 Å²	176	47.4 Å²	47.4	66%	0.664	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-55.9	-34.5	170.5	-178.7	177.5	177.5	178.4	-0.4	112.6	N180 C181 F211	R178-N180 PolarHBondContact O-N 2.87Å; R178-C181 PolarHBondContact O-N 3.29Å; R178-F211 HydrophobicContact CB-CB 4.14Å; R178-F211 PolarHBondContact N-O 3.28Å
179	D	95.4	Very high	97.8	Very high	83 Å²	83	43.6 Å²	43.6	44%	0.444	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-72.1	-16.4	-178.4	-62.7	-41.7	0	0	0	112.9	P128 S177 C181	P128-D179 HydrophobicContact CG-CB 3.51Å; S177-D179 PolarHBondContact O-N 3.42Å; S177-D179 PolarHBondContact OG-N 3.48Å; D179-C181 PolarHBondContact O-N 3.26Å
180	N	97.4	Very high	98	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-75.4	3.8	172.2	-51.1	147.4	0	0	0	113.5	Y126 L150 G151 R152 L176 S177 R178	Y126-N180 VanDerWaalsContact CB-OD1 3.27Å; Y126-N180 WeakPolarHBondContact CB-OD1 3.28Å; Y126-N180 PolarHBondContact O-ND2 2.92Å; L150-N180 WeakPolarHBondContact O-CA 3.37Å; L150-N180 PolarHBondContact O-ND2 3.44Å; G151-N180 PolarHBondContact O-ND2 3.47Å; R152-N180 WeakPolarHBondContact CD-O 3.48Å; R152-N180 HydrophobicContact CG-CB 4.12Å; L176-N180 HydrophobicContact CD2-CB 4.1Å; S177-N180 PolarHBondContact N-OD1 3.49Å; S177-N180 WeakPolarHBondContact O-CB 3.43Å; S177-N180 PolarHBondContact O-N 2.87Å; S177-N180 VanDerWaalsContact O-N 3.12Å; S177-N180 VanDerWaalsContact OG-CG 3.28Å; S177-N180 PolarHBondContact OG-N 3.17Å; S177-N180 PolarHBondContact OG-ND2 2.61Å; S177-N180 PolarHBondContact OG-OD1 3.01Å; R178-N180 PolarHBondContact O-N 2.87Å
181	C	97.4	Very high	98	Very high	40 Å²	40	46.9 Å²	46.9	27%	0.27	23%	0.225	S	C	.	.			trans	49.5	65.1	-177.6	-51.2	0	0	0	0	112.1	R178 D179 E183 E184 V185	R178-C181 PolarHBondContact O-N 3.29Å; D179-C181 PolarHBondContact O-N 3.26Å; C181-E183 PolarHBondContact O-N 3.26Å; C181-E184 HydrophobicContact CB-CB 4.28Å; C181-E184 HydrophobicContact CB-CG 4.1Å; C181-E184 WeakPolarHBondContact O-CB 3.14Å; C181-E184 PolarHBondContact O-N 3.06Å; C181-V185 PolarHBondContact O-N 2.86Å
182	P	98.4	Very high	97.9	Very high	23 Å²	23	49.8 Å²	49.8	15%	0.149	24%	0.24	C	C	.	.	H	α-helix	trans	-49.9	-37	-173.3	-30.1	35.9	0	0	0	114.7	L176 E184 V185 H186 F215	L176-P182 HydrophobicContact CB-CG 4.24Å; L176-P182 HydrophobicContact CD1-CB 3.99Å; L176-P182 HydrophobicContact CD1-CG 4.31Å; P182-E184 VanDerWaalsContact C-N 3.29Å; P182-E184 PolarHBondContact O-N 2.93Å; P182-V185 CarbonylContact O-C 3.02Å; P182-V185 WeakPolarHBondContact O-CA 3.34Å; P182-V185 WeakPolarHBondContact O-CB 3.34Å; P182-V185 PolarHBondContact O-N 2.98Å; P182-H186 PolarHBondContact O-CD2 3.31Å; P182-H186 VanDerWaalsContact O-CD2 3.29Å; P182-H186 PolarHBondContact O-N 3.14Å; P182-H186 PolarHBondContact O-ND1 2.62Å; P182-F215 HydrophobicContact CB-CE2 4.01Å; P182-F215 HydrophobicContact CB-CZ 4.04Å; P182-F215 HydrophobicContact CG-CE2 4.29Å
183	E	98.2	Very high	97.9	Very high	142 Å²	142	49.9 Å²	49.9	66%	0.664	24%	0.241	S	C	*	.	H	α-helix	trans	-55.9	-40.3	175.2	-61.1	-58.7	157.5	0	0	113.2	C181 H186 L187	C181-E183 PolarHBondContact O-N 3.26Å; E183-H186 PolarHBondContact O-N 3.45Å; E183-L187 VanDerWaalsContact O-CG 3.28Å; E183-L187 WeakPolarHBondContact O-CG 2.97Å; E183-L187 PolarHBondContact O-N 3.41Å
184	E	98.4	Very high	97.8	Very high	94 Å²	94	56.9 Å²	56.9	44%	0.439	28%	0.278	S	S	.	.	H	α-helix	trans	-68.6	-41	175.5	-65.6	-173.9	-169.9	0	0	111.3	R152 C181 P182 H186 L187 M188	R152-E184 IonicContact CZ-OE2 2.66Å; R152-E184 IonicContact NH1-OE2 3.93Å; R152-E184 PolarHBondContact NH1-OE2 3.45Å; R152-E184 IonicContact NH2-OE2 3.68Å; C181-E184 HydrophobicContact CB-CB 4.28Å; C181-E184 HydrophobicContact CB-CG 4.1Å; C181-E184 WeakPolarHBondContact O-CB 3.14Å; C181-E184 PolarHBondContact O-N 3.06Å; P182-E184 VanDerWaalsContact C-N 3.29Å; P182-E184 PolarHBondContact O-N 2.93Å; E184-H186 VanDerWaalsContact C-N 3.32Å; E184-H186 PolarHBondContact O-N 3.26Å; E184-L187 PolarHBondContact O-N 2.83Å; E184-M188 VanDerWaalsContact O-CG 3.3Å; E184-M188 WeakPolarHBondContact O-CG 3.25Å; E184-M188 PolarHBondContact O-N 3.44Å
185	V	98.5	Very high	97.6	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.1	-41.9	176.7	179.3	0	0	0	0	110.7	L159 L174 L176 C181 P182 M188 M189 Y217	L159-V185 HydrophobicContact CD1-CG1 3.88Å; L159-V185 HydrophobicContact CD2-CG1 3.91Å; L174-V185 HydrophobicContact CD2-CG1 4.12Å; L176-V185 HydrophobicContact CD1-CB 3.99Å; L176-V185 HydrophobicContact CD1-CG1 3.88Å; L176-V185 HydrophobicContact CD1-CG2 4.21Å; L176-V185 HydrophobicContact CD2-CG1 4.48Å; L176-V185 HydrophobicContact CD2-CG2 4.39Å; C181-V185 PolarHBondContact O-N 2.86Å; P182-V185 CarbonylContact O-C 3.02Å; P182-V185 WeakPolarHBondContact O-CA 3.34Å; P182-V185 WeakPolarHBondContact O-CB 3.34Å; P182-V185 PolarHBondContact O-N 2.98Å; V185-M188 PolarHBondContact O-N 2.97Å; V185-M189 PolarHBondContact O-N 3.22Å; V185-Y217 WeakPolarHBondContact CG1-OH 3.4Å
186	H	98.6	Very high	97.6	Very high	24 Å²	24	61.5 Å²	61.5	11%	0.111	31%	0.305	C	S	.	.	H	α-helix	trans	-61.1	-48.2	175.4	-57.7	-19.3	0	0	0	111.2	P182 E183 E184 M188 M189 T190 A199 F215 Y217	P182-H186 PolarHBondContact O-CD2 3.31Å; P182-H186 VanDerWaalsContact O-CD2 3.29Å; P182-H186 PolarHBondContact O-N 3.14Å; P182-H186 PolarHBondContact O-ND1 2.62Å; E183-H186 PolarHBondContact O-N 3.45Å; E184-H186 VanDerWaalsContact C-N 3.32Å; E184-H186 PolarHBondContact O-N 3.26Å; H186-M188 VanDerWaalsContact C-N 3.32Å; H186-M188 PolarHBondContact O-N 2.92Å; H186-M189 PolarHBondContact O-N 2.96Å; H186-T190 WeakPolarHBondContact O-CB 3.36Å; H186-T190 PolarHBondContact O-N 3.16Å; H186-T190 PolarHBondContact O-OG1 3.4Å; H186-T190 VanDerWaalsContact O-OG1 3.12Å; H186-A199 HydrophobicContact CB-CB 4.14Å; H186-A199 VanDerWaalsContact ND1-CB 3.35Å; H186-A199 WeakPolarHBondContact ND1-CB 3.34Å; H186-F215 AromaticContact CE1-CD1 3.58Å; H186-F215 AromaticContact CE1-CE1 3.66Å; H186-F215 AromaticContact CE1-CG 3.77Å; H186-F215 AromaticContact CE1-CZ 3.9Å; H186-F215 AromaticContact NE2-CD1 3.83Å; H186-F215 AromaticContact NE2-CE1 3.48Å; H186-F215 WeakPolarHBondContact NE2-CE1 3.44Å; H186-F215 AromaticContact NE2-CZ 3.76Å; H186-Y217 PolarHBondContact CE1-OH 3.05Å; H186-Y217 VanDerWaalsContact CE1-OH 3.28Å; H186-Y217 AromaticContact ND1-CE1 3.53Å; H186-Y217 AromaticContact ND1-CZ 3.53Å; H186-Y217 PolarHBondContact ND1-OH 2.96Å
187	L	98.3	Very high	97.5	Very high	123 Å²	123	61.5 Å²	61.5	64%	0.644	31%	0.305	S	S	*	.	H	α-helix	trans	-60.6	-40	176.6	-72.1	171.6	0	0	0	112.4	E183 E184 K191	E183-L187 VanDerWaalsContact O-CG 3.28Å; E183-L187 WeakPolarHBondContact O-CG 2.97Å; E183-L187 PolarHBondContact O-N 3.41Å; E184-L187 PolarHBondContact O-N 2.83Å; L187-K191 VanDerWaalsContact O-CB 3.32Å; L187-K191 WeakPolarHBondContact O-CB 3.5Å; L187-K191 PolarHBondContact O-N 2.9Å
188	M	98.2	Very high	97.6	Very high	61 Å²	61	66.3 Å²	66.3	30%	0.3	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-46.9	174.7	-73.2	175.7	70.1	0	0	111.5	D156 L159 E184 V185 H186 K191 L192	D156-M188 HydrophobicContact CB-CE 4Å; L159-M188 HydrophobicContact CD1-CB 3.92Å; L159-M188 HydrophobicContact CD1-CE 4.05Å; L159-M188 HydrophobicContact CD1-SD 4.31Å; E184-M188 VanDerWaalsContact O-CG 3.3Å; E184-M188 WeakPolarHBondContact O-CG 3.25Å; E184-M188 PolarHBondContact O-N 3.44Å; V185-M188 PolarHBondContact O-N 2.97Å; H186-M188 VanDerWaalsContact C-N 3.32Å; H186-M188 PolarHBondContact O-N 2.92Å; M188-K191 PolarHBondContact O-N 3.37Å; M188-L192 WeakPolarHBondContact O-CB 3.46Å; M188-L192 VanDerWaalsContact O-CG 3.29Å; M188-L192 WeakPolarHBondContact O-CG 3.36Å; M188-L192 PolarHBondContact O-N 2.78Å
189	M	98.3	Very high	97.7	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.6	-42.8	179.1	-173.3	55	66.9	0	0	112.1	L159 I172 V185 H186 K191 L192 S193 L197 Y217	L159-M189 HydrophobicContact CB-CE 3.77Å; L159-M189 HydrophobicContact CD2-CE 3.56Å; L159-M189 HydrophobicContact CG-CE 4.18Å; I172-M189 HydrophobicContact CD1-CE 3.63Å; I172-M189 HydrophobicContact CD1-SD 4.03Å; V185-M189 PolarHBondContact O-N 3.22Å; H186-M189 PolarHBondContact O-N 2.96Å; M189-K191 VanDerWaalsContact C-N 3.31Å; M189-K191 PolarHBondContact O-N 2.98Å; M189-L192 PolarHBondContact O-N 3.38Å; M189-S193 VanDerWaalsContact O-CB 3.26Å; M189-S193 WeakPolarHBondContact O-CB 3.31Å; M189-S193 PolarHBondContact O-N 3.17Å; M189-S193 PolarHBondContact O-OG 2.86Å; M189-L197 HydrophobicContact CG-CB 3.98Å; M189-L197 HydrophobicContact CG-CD1 4.19Å; M189-L197 HydrophobicContact SD-CB 4.49Å; M189-L197 HydrophobicContact SD-CD1 3.64Å; M189-Y217 HydrophobicContact CB-CD1 3.87Å; M189-Y217 HydrophobicContact CB-CE1 3.88Å; M189-Y217 HydrophobicContact CG-CD1 3.5Å; M189-Y217 HydrophobicContact CG-CE1 4.03Å; M189-Y217 HydrophobicContact CG-CG 4.01Å
190	T	97.9	Very high	97.8	Very high	47 Å²	47	60.8 Å²	60.8	29%	0.288	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-41.3	174.4	-62.3	0	0	0	0	111.1	H186 S193 N194 G195 L197	H186-T190 WeakPolarHBondContact O-CB 3.36Å; H186-T190 PolarHBondContact O-N 3.16Å; H186-T190 PolarHBondContact O-OG1 3.4Å; H186-T190 VanDerWaalsContact O-OG1 3.12Å; T190-S193 PolarHBondContact O-OG 2.94Å; T190-N194 PolarHBondContact O-N 3.38Å; T190-G195 PolarHBondContact O-N 3.34Å; T190-L197 PolarHBondContact OG1-O 3.47Å
191	K	98.1	Very high	97.9	Very high	171 Å²	171	65.5 Å²	65.5	74%	0.743	33%	0.333	S	S	*	.	H	α-helix	trans	-67	-48.7	176.6	-176.4	179.6	178	-178.1	0	112.5	L187 M188 M189 S193 N194	L187-K191 VanDerWaalsContact O-CB 3.32Å; L187-K191 WeakPolarHBondContact O-CB 3.5Å; L187-K191 PolarHBondContact O-N 2.9Å; M188-K191 PolarHBondContact O-N 3.37Å; M189-K191 VanDerWaalsContact C-N 3.31Å; M189-K191 PolarHBondContact O-N 2.98Å; K191-S193 PolarHBondContact O-N 2.91Å; K191-N194 PolarHBondContact O-N 3.38Å
192	L	97.7	Very high	98	Very high	60 Å²	60	64.4 Å²	64.4	31%	0.314	33%	0.325	S	S	.	.	H	α-helix	trans	-57.5	-38.7	178.5	-76.3	167.4	0	0	0	111.5	L159 Y163 M188 M189	L159-L192 HydrophobicContact CB-CD1 3.83Å; Y163-L192 WeakPolarHBondContact CE1-O 3.42Å; M188-L192 WeakPolarHBondContact O-CB 3.46Å; M188-L192 VanDerWaalsContact O-CG 3.29Å; M188-L192 WeakPolarHBondContact O-CG 3.36Å; M188-L192 PolarHBondContact O-N 2.78Å; M189-L192 PolarHBondContact O-N 3.38Å
193	S	97	Very high	98	Very high	3 Å²	3	65.5 Å²	65.5	2%	0.021	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	5.4	-177.5	67.9	0	0	0	0	114.9	M189 T190 K191 G195 R196 L197	M189-S193 VanDerWaalsContact O-CB 3.26Å; M189-S193 WeakPolarHBondContact O-CB 3.31Å; M189-S193 PolarHBondContact O-N 3.17Å; M189-S193 PolarHBondContact O-OG 2.86Å; T190-S193 PolarHBondContact O-OG 2.94Å; K191-S193 PolarHBondContact O-N 2.91Å; S193-G195 PolarHBondContact O-N 3.23Å; S193-R196 WeakPolarHBondContact O-CB 3.44Å; S193-R196 PolarHBondContact O-N 3.34Å; S193-R196 PolarHBondContact OG-N 2.87Å; S193-L197 WeakPolarHBondContact OG-CB 3.35Å; S193-L197 PolarHBondContact OG-N 3.46Å
194	N	96.6	Very high	97.9	Very high	146 Å²	146	64 Å²	64	78%	0.781	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	40.2	-173.8	-62.4	-56.4	0	0	0	113.1	T190 K191 R196	T190-N194 PolarHBondContact O-N 3.38Å; K191-N194 PolarHBondContact O-N 3.38Å; N194-R196 VanDerWaalsContact C-N 3.32Å; N194-R196 PolarHBondContact O-N 2.85Å
195	G	96.6	Very high	97.9	Very high	30 Å²	30	63.3 Å²	63.3	31%	0.309	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-0.3	-179	0	0	0	0	0	114.9	T190 S193 H198	T190-G195 PolarHBondContact O-N 3.34Å; S193-G195 PolarHBondContact O-N 3.23Å; G195-H198 PolarHBondContact O-CE1 3.25Å; G195-H198 PolarHBondContact O-NE2 3.06Å
196	R	96.7	Very high	97.5	Very high	67 Å²	67	70.8 Å²	70.8	25%	0.253	34%	0.344	S	S	.	.			trans	-68.2	-38.3	-179.3	-169.3	-167.7	101.2	155.7	6	112.6	S167 P168 G170 S193 N194 C219	S167-R196 PolarHBondContact O-NH1 2.75Å; S167-R196 VanDerWaalsContact O-NH1 3.15Å; S167-R196 PolarHBondContact O-NH2 3.46Å; P168-R196 PolarHBondContact O-NH1 2.86Å; G170-R196 PolarHBondContact O-NH2 3Å; S193-R196 WeakPolarHBondContact O-CB 3.44Å; S193-R196 PolarHBondContact O-N 3.34Å; S193-R196 PolarHBondContact OG-N 2.87Å; N194-R196 VanDerWaalsContact C-N 3.32Å; N194-R196 PolarHBondContact O-N 2.85Å; R196-C219 PolarHBondContact NE-SG 2.68Å; R196-C219 VanDerWaalsContact NE-SG 3.38Å; R196-C219 WeakPolarHBondContact O-CA 3.47Å
197	L	98.1	Very high	96.5	Very high	0 Å²	0	70.3 Å²	70.3	0%	0	34%	0.342	C	S	.	.			trans	-104.6	126.2	-173.3	-62.6	176.7	0	0	0	111.5	Y163 L166 I172 M189 T190 S193 S218	Y163-L197 HydrophobicContact CD2-CD1 4Å; L166-L197 HydrophobicContact CD1-CD1 3.6Å; L166-L197 HydrophobicContact CD1-CD2 4.34Å; I172-L197 HydrophobicContact CD1-CD1 4.32Å; M189-L197 HydrophobicContact CG-CB 3.98Å; M189-L197 HydrophobicContact CG-CD1 4.19Å; M189-L197 HydrophobicContact SD-CB 4.49Å; M189-L197 HydrophobicContact SD-CD1 3.64Å; T190-L197 PolarHBondContact OG1-O 3.47Å; S193-L197 WeakPolarHBondContact OG-CB 3.35Å; S193-L197 PolarHBondContact OG-N 3.46Å; L197-S218 WeakPolarHBondContact CA-O 3.46Å
198	H	97.6	Very high	95.5	Very high	102 Å²	102	72.4 Å²	72.4	47%	0.472	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	138.1	177.5	-59.4	-67.7	0	0	0	110.8	G195 Y217 S218	G195-H198 PolarHBondContact O-CE1 3.25Å; G195-H198 PolarHBondContact O-NE2 3.06Å; H198-Y217 WeakPolarHBondContact O-CA 3.3Å; H198-S218 PolarHBondContact N-O 3.31Å; H198-S218 PolarHBondContact O-N 3.05Å
199	A	98.5	Very high	94.5	Very high	40 Å²	40	76.3 Å²	76.3	33%	0.331	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.5	174.8	0	0	0	0	0	110.6	H186 R216 Y217	H186-A199 HydrophobicContact CB-CB 4.14Å; H186-A199 VanDerWaalsContact ND1-CB 3.35Å; H186-A199 WeakPolarHBondContact ND1-CB 3.34Å; A199-R216 CarbonylContact C-O 3.43Å; A199-R216 WeakPolarHBondContact CA-O 3.47Å; A199-Y217 HydrophobicContact CB-CD1 4Å; A199-Y217 HydrophobicContact CB-CE1 3.67Å
200	K	98.5	Very high	93.8	Very high	103 Å²	103	78.8 Å²	78.8	45%	0.448	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	124	167.3	-177.5	-175.2	175.1	-168.6	0	108.2	I202 F215 R216	K200-I202 HydrophobicContact CB-CD1 4.48Å; K200-I202 HydrophobicContact CD-CD1 3.94Å; K200-I202 HydrophobicContact CG-CD1 4.07Å; K200-I202 PolarHBondContact O-N 3.01Å; K200-F215 CarbonylContact O-C 3.58Å; K200-F215 WeakPolarHBondContact O-CA 3.42Å; K200-R216 PolarHBondContact N-O 3.13Å; K200-R216 PolarHBondContact O-N 2.73Å
201	E	98.6	Very high	93.6	Very high	99 Å²	99	80.6 Å²	80.6	46%	0.463	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	124.9	167.8	-178.7	174.5	132.5	0	0	109.5	H204 T213 F215	E201-H204 IonicContact OE1-CE1 3.97Å; E201-H204 IonicContact OE1-CG 3.15Å; E201-H204 IonicContact OE1-ND1 3.18Å; E201-H204 PolarHBondContact OE1-ND1 3.17Å; E201-T213 HydrophobicContact CB-CG2 4.49Å; E201-T213 HydrophobicContact CG-CG2 3.59Å; E201-F215 HydrophobicContact CB-CD1 4.21Å; E201-F215 HydrophobicContact CB-CE1 3.98Å; E201-F215 HydrophobicContact CG-CE1 4.44Å
202	I	98.7	Very high	93.6	Very high	18 Å²	18	72.5 Å²	72.5	9%	0.092	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	-53	176.9	-56.6	-53.3	0	0	0	109.9	A30 L33 D34 Y173 K200 V214 R216	A30-I202 HydrophobicContact CB-CB 4.34Å; A30-I202 HydrophobicContact CB-CG2 3.83Å; A30-I202 WeakPolarHBondContact O-CG2 3.29Å; L33-I202 HydrophobicContact CD2-CG2 4.34Å; L33-I202 VanDerWaalsContact CD2-O 3.29Å; L33-I202 WeakPolarHBondContact CD2-O 3.4Å; D34-I202 HydrophobicContact CB-CG2 3.93Å; D34-I202 WeakPolarHBondContact OD2-CD1 3.29Å; Y173-I202 HydrophobicContact CE1-CG1 4.16Å; K200-I202 HydrophobicContact CB-CD1 4.48Å; K200-I202 HydrophobicContact CD-CD1 3.94Å; K200-I202 HydrophobicContact CG-CD1 4.07Å; K200-I202 PolarHBondContact O-N 3.01Å; I202-V214 WeakPolarHBondContact CB-O 3.44Å; I202-V214 PolarHBondContact N-O 2.93Å; I202-R216 HydrophobicContact CD1-CB 3.75Å; I202-R216 HydrophobicContact CG1-CB 3.76Å
203	L	98.4	Very high	93.6	Very high	45 Å²	45	70.5 Å²	70.5	24%	0.236	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	136.4	-179.3	-171.7	60.5	0	0	0	110.3	L26 D29 A30 L33 T213 V214	L26-L203 HydrophobicContact CD1-CB 4.22Å; L26-L203 HydrophobicContact CD1-CD2 3.77Å; L26-L203 HydrophobicContact CD1-CG 3.69Å; D29-L203 HydrophobicContact CB-CD2 3.49Å; D29-L203 VanDerWaalsContact CB-CD2 3.49Å; A30-L203 HydrophobicContact CB-CB 4.01Å; L33-L203 HydrophobicContact CD2-CB 4.47Å; L33-L203 HydrophobicContact CD2-CD1 4.42Å; L203-T213 WeakPolarHBondContact O-CA 3.47Å; L203-V214 PolarHBondContact O-N 3.03Å
204	H	97.7	Very high	93.7	Very high	110 Å²	110	70.3 Å²	70.3	51%	0.509	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	152.3	169.7	69.6	-99.2	0	0	0	110.9	E201 L212 T213	E201-H204 IonicContact OE1-CE1 3.97Å; E201-H204 IonicContact OE1-CG 3.15Å; E201-H204 IonicContact OE1-ND1 3.18Å; E201-H204 PolarHBondContact OE1-ND1 3.17Å; H204-L212 CarbonylContact C-O 3.59Å; H204-L212 VanDerWaalsContact CA-O 3.23Å; H204-L212 WeakPolarHBondContact CA-O 3.47Å; H204-T213 HydrophobicContact CB-CG2 4.03Å; H204-T213 WeakPolarHBondContact CB-OG1 3.22Å
205	R	96.7	Very high	93.8	Very high	81 Å²	81	64 Å²	64	31%	0.306	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	142.5	172	-174.1	176.3	-66.2	168.5	5.2	109.6	E22 L26 D29 V207 L212	E22-R205 IonicContact OE2-NH1 3.62Å; L26-R205 HydrophobicContact CD1-CB 3.8Å; L26-R205 HydrophobicContact CD2-CB 4.22Å; D29-R205 IonicContact OD2-CZ 3.59Å; D29-R205 IonicContact OD2-NH1 3.68Å; D29-R205 IonicContact OD2-NH2 2.7Å; D29-R205 PolarHBondContact OD2-NH2 2.98Å; R205-V207 HydrophobicContact CB-CG2 4.39Å; R205-V207 HydrophobicContact CG-CG2 4.05Å; R205-L212 PolarHBondContact N-O 2.88Å; R205-L212 PolarHBondContact O-N 3.31Å
206	R	90.5	Very high	93.9	Very high	157 Å²	157	63.5 Å²	63.5	59%	0.592	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.4	116.3	165.3	-173.9	177.9	177.9	164.9	2.6	108.5	E210 F211	R206-E210 CarbonylContact C-O 3.58Å; R206-E210 WeakPolarHBondContact CA-O 3.26Å; R206-F211 HydrophobicContact CB-CD1 4.22Å; R206-F211 HydrophobicContact CB-CE1 4.09Å; R206-F211 HydrophobicContact CG-CD1 4.4Å; R206-F211 HydrophobicContact CG-CE1 4.12Å; R206-F211 HydrophobicContact CG-CZ 4.25Å
207	V	79.1	Confident	94	Very high	14 Å²	14	60.3 Å²	60.3	9%	0.085	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.2	178.5	176.7	0	0	0	0	107.3	E22 R205 N209 E210 L212	E22-V207 HydrophobicContact CB-CB 4.4Å; E22-V207 HydrophobicContact CB-CG1 3.52Å; E22-V207 HydrophobicContact CB-CG2 3.94Å; E22-V207 HydrophobicContact CG-CG1 3.89Å; R205-V207 HydrophobicContact CB-CG2 4.39Å; R205-V207 HydrophobicContact CG-CG2 4.05Å; V207-N209 PolarHBondContact O-N 3.09Å; V207-E210 PolarHBondContact N-O 3.47Å; V207-E210 PolarHBondContact O-N 2.96Å; V207-L212 HydrophobicContact CB-CD1 4.25Å; V207-L212 HydrophobicContact CG2-CD1 4.14Å
208	H	75.6	Confident	94	Very high	166 Å²	166	60.9 Å²	60.9	77%	0.769	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	-111.7	-171.1	-58.4	92.2	0	0	0	112.1
209	N	78.5	Confident	93.7	Very high	144 Å²	144	60.8 Å²	60.8	77%	0.77	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	1.9	178.5	-76.1	-18.4	0	0	0	113.7	V207	V207-N209 PolarHBondContact O-N 3.09Å
210	E	83.3	Confident	93.5	Very high	51 Å²	51	61.9 Å²	61.9	24%	0.238	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	145.8	-176.4	-62.2	-178.2	162.6	0	0	111	Y126 R206 V207 L212	Y126-E210 WeakPolarHBondContact CE2-OE2 3.24Å; R206-E210 CarbonylContact C-O 3.58Å; R206-E210 WeakPolarHBondContact CA-O 3.26Å; V207-E210 PolarHBondContact N-O 3.47Å; V207-E210 PolarHBondContact O-N 2.96Å; E210-L212 HydrophobicContact CB-CD2 4.23Å; E210-L212 HydrophobicContact CB-CG 4.49Å
211	F	93.3	Very high	93.2	Very high	85 Å²	85	59.7 Å²	59.7	37%	0.373	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	107.8	170.2	-71.2	-91.7	0	0	0	107.5	S177 R178 R206	S177-F211 CarbonylContact C-O 3.54Å; S177-F211 WeakPolarHBondContact CA-O 3.19Å; R178-F211 HydrophobicContact CB-CB 4.14Å; R178-F211 PolarHBondContact N-O 3.28Å; R206-F211 HydrophobicContact CB-CD1 4.22Å; R206-F211 HydrophobicContact CB-CE1 4.09Å; R206-F211 HydrophobicContact CG-CD1 4.4Å; R206-F211 HydrophobicContact CG-CE1 4.12Å; R206-F211 HydrophobicContact CG-CZ 4.25Å
212	L	97.6	Very high	92.9	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	139.7	180	-56.8	-177	0	0	0	109.3	D23 L26 Y126 L175 H204 R205 V207 E210	D23-L212 HydrophobicContact CB-CD1 3.76Å; L26-L212 HydrophobicContact CD2-CB 3.51Å; Y126-L212 HydrophobicContact CD2-CD2 3.99Å; Y126-L212 HydrophobicContact CE2-CD1 4.4Å; Y126-L212 HydrophobicContact CE2-CD2 3.59Å; L175-L212 HydrophobicContact CD2-CB 4.48Å; L175-L212 HydrophobicContact CD2-CD2 4.23Å; H204-L212 CarbonylContact C-O 3.59Å; H204-L212 VanDerWaalsContact CA-O 3.23Å; H204-L212 WeakPolarHBondContact CA-O 3.47Å; R205-L212 PolarHBondContact N-O 2.88Å; R205-L212 PolarHBondContact O-N 3.31Å; V207-L212 HydrophobicContact CB-CD1 4.25Å; V207-L212 HydrophobicContact CG2-CD1 4.14Å; E210-L212 HydrophobicContact CB-CD2 4.23Å; E210-L212 HydrophobicContact CB-CG 4.49Å
213	T	98.5	Very high	92.6	Very high	18 Å²	18	59.8 Å²	59.8	11%	0.11	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	132.1	-179.3	-53.6	0	0	0	0	110.1	L175 L176 E201 L203 H204 F215	L175-T213 WeakPolarHBondContact CA-O 3.42Å; L176-T213 PolarHBondContact N-O 3.46Å; L176-T213 PolarHBondContact O-N 2.9Å; E201-T213 HydrophobicContact CB-CG2 4.49Å; E201-T213 HydrophobicContact CG-CG2 3.59Å; L203-T213 WeakPolarHBondContact O-CA 3.47Å; H204-T213 HydrophobicContact CB-CG2 4.03Å; H204-T213 WeakPolarHBondContact CB-OG1 3.22Å; T213-F215 VanDerWaalsContact CB-CE2 3.48Å; T213-F215 HydrophobicContact CG2-CD1 4.3Å; T213-F215 HydrophobicContact CG2-CD2 3.92Å; T213-F215 HydrophobicContact CG2-CE1 3.83Å; T213-F215 HydrophobicContact CG2-CE2 3.43Å; T213-F215 VanDerWaalsContact CG2-CE2 3.43Å; T213-F215 HydrophobicContact CG2-CG 4.34Å; T213-F215 HydrophobicContact CG2-CZ 3.38Å
214	V	98.8	Very high	92.2	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.4	170.1	179.3	0	0	0	0	108.1	L26 F27 A30 Y173 L175 I202 L203	L26-V214 HydrophobicContact CD2-CG2 4.43Å; L26-V214 HydrophobicContact CG-CG2 4.02Å; F27-V214 HydrophobicContact CB-CG2 4.49Å; F27-V214 HydrophobicContact CD2-CG2 4.09Å; F27-V214 HydrophobicContact CE2-CG1 4.43Å; F27-V214 HydrophobicContact CG-CG2 4.33Å; A30-V214 HydrophobicContact CB-CB 3.63Å; A30-V214 HydrophobicContact CB-CG1 3.64Å; A30-V214 HydrophobicContact CB-CG2 3.92Å; Y173-V214 HydrophobicContact CD1-CG1 4.08Å; L175-V214 HydrophobicContact CB-CG2 4.35Å; L175-V214 HydrophobicContact CD1-CG2 4.15Å; L175-V214 HydrophobicContact CG-CG2 4.39Å; I202-V214 WeakPolarHBondContact CB-O 3.44Å; I202-V214 PolarHBondContact N-O 2.93Å; L203-V214 PolarHBondContact O-N 3.03Å
215	F	98.8	Very high	91.9	Very high	14 Å²	14	57.5 Å²	57.5	6%	0.061	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	141.7	176.4	-66.4	-84.5	0	0	0	110.6	Y173 L174 L176 P182 H186 K200 E201 T213 Y217	Y173-F215 WeakPolarHBondContact CA-O 3.42Å; L174-F215 PolarHBondContact N-O 3.48Å; L174-F215 PolarHBondContact O-N 3.18Å; L176-F215 HydrophobicContact CB-CD2 4.2Å; L176-F215 HydrophobicContact CB-CE2 4.09Å; L176-F215 HydrophobicContact CD1-CD2 3.86Å; L176-F215 HydrophobicContact CD1-CE2 4.05Å; L176-F215 HydrophobicContact CG-CD2 4.21Å; L176-F215 HydrophobicContact CG-CE2 4.48Å; P182-F215 HydrophobicContact CB-CE2 4.01Å; P182-F215 HydrophobicContact CB-CZ 4.04Å; P182-F215 HydrophobicContact CG-CE2 4.29Å; H186-F215 AromaticContact CE1-CD1 3.58Å; H186-F215 AromaticContact CE1-CE1 3.66Å; H186-F215 AromaticContact CE1-CG 3.77Å; H186-F215 AromaticContact CE1-CZ 3.9Å; H186-F215 AromaticContact NE2-CD1 3.83Å; H186-F215 AromaticContact NE2-CE1 3.48Å; H186-F215 WeakPolarHBondContact NE2-CE1 3.44Å; H186-F215 AromaticContact NE2-CZ 3.76Å; K200-F215 CarbonylContact O-C 3.58Å; K200-F215 WeakPolarHBondContact O-CA 3.42Å; E201-F215 HydrophobicContact CB-CD1 4.21Å; E201-F215 HydrophobicContact CB-CE1 3.98Å; E201-F215 HydrophobicContact CG-CE1 4.44Å; T213-F215 VanDerWaalsContact CB-CE2 3.48Å; T213-F215 HydrophobicContact CG2-CD1 4.3Å; T213-F215 HydrophobicContact CG2-CD2 3.92Å; T213-F215 HydrophobicContact CG2-CE1 3.83Å; T213-F215 HydrophobicContact CG2-CE2 3.43Å; T213-F215 VanDerWaalsContact CG2-CE2 3.43Å; T213-F215 HydrophobicContact CG2-CG 4.34Å; T213-F215 HydrophobicContact CG2-CZ 3.38Å; F215-Y217 HydrophobicContact CB-CE2 3.9Å
216	R	98.8	Very high	91.5	Very high	18 Å²	18	55.8 Å²	55.8	7%	0.068	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	131.2	164.2	-173.3	-179.4	77.7	-161.4	11.9	109.9	D34 F37 C171 I172 Y173 A199 K200 I202 S218	D34-R216 IonicContact OD1-NH1 2.75Å; D34-R216 PolarHBondContact OD1-NH1 3.15Å; D34-R216 WeakPolarHBondContact OD2-CD 3.32Å; D34-R216 IonicContact OD2-CZ 3.7Å; D34-R216 IonicContact OD2-NE 3.61Å; D34-R216 IonicContact OD2-NH1 3.78Å; D34-R216 PolarHBondContact OD2-NH1 3.15Å; F37-R216 VanDerWaalsContact CB-NH1 3.29Å; F37-R216 VanDerWaalsContact CD1-NH1 3.26Å; F37-R216 VanDerWaalsContact CD2-CZ 3.46Å; F37-R216 VanDerWaalsContact CD2-NH1 3.31Å; C171-R216 HydrophobicContact CB-CG 4.41Å; I172-R216 CarbonylContact O-C 3.56Å; I172-R216 VanDerWaalsContact O-CA 3.27Å; I172-R216 WeakPolarHBondContact O-CA 3.29Å; Y173-R216 HydrophobicContact CD1-CB 4.39Å; Y173-R216 HydrophobicContact CD2-CG 4.29Å; Y173-R216 HydrophobicContact CE1-CB 4.1Å; Y173-R216 HydrophobicContact CE1-CG 4.26Å; Y173-R216 HydrophobicContact CE2-CG 3.83Å; Y173-R216 VanDerWaalsContact OH-CD 3.29Å; Y173-R216 WeakPolarHBondContact OH-CD 3.21Å; A199-R216 CarbonylContact C-O 3.43Å; A199-R216 WeakPolarHBondContact CA-O 3.47Å; K200-R216 PolarHBondContact N-O 3.13Å; K200-R216 PolarHBondContact O-N 2.73Å; I202-R216 HydrophobicContact CD1-CB 3.75Å; I202-R216 HydrophobicContact CG1-CB 3.76Å; R216-S218 PolarHBondContact NE-OG 2.7Å
217	Y	98.7	Very high	91.6	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	111.2	167.7	-57.8	-95.7	0	0	0	108.6	C171 I172 L174 V185 H186 M189 H198 A199 F215	C171-Y217 CarbonylContact C-O 3.56Å; C171-Y217 WeakPolarHBondContact CA-O 3.38Å; C171-Y217 VanDerWaalsContact CB-O 3.3Å; C171-Y217 WeakPolarHBondContact CB-O 3.44Å; I172-Y217 HydrophobicContact CB-CD2 4.27Å; I172-Y217 HydrophobicContact CG2-CD2 4.37Å; I172-Y217 PolarHBondContact N-O 3.31Å; I172-Y217 PolarHBondContact O-N 2.81Å; L174-Y217 HydrophobicContact CB-CE2 4.02Å; L174-Y217 HydrophobicContact CD2-CE2 4.13Å; V185-Y217 WeakPolarHBondContact CG1-OH 3.4Å; H186-Y217 PolarHBondContact CE1-OH 3.05Å; H186-Y217 VanDerWaalsContact CE1-OH 3.28Å; H186-Y217 AromaticContact ND1-CE1 3.53Å; H186-Y217 AromaticContact ND1-CZ 3.53Å; H186-Y217 PolarHBondContact ND1-OH 2.96Å; M189-Y217 HydrophobicContact CB-CD1 3.87Å; M189-Y217 HydrophobicContact CB-CE1 3.88Å; M189-Y217 HydrophobicContact CG-CD1 3.5Å; M189-Y217 HydrophobicContact CG-CE1 4.03Å; M189-Y217 HydrophobicContact CG-CG 4.01Å; H198-Y217 WeakPolarHBondContact O-CA 3.3Å; A199-Y217 HydrophobicContact CB-CD1 4Å; A199-Y217 HydrophobicContact CB-CE1 3.67Å; F215-Y217 HydrophobicContact CB-CE2 3.9Å
218	S	97.9	Very high	92.6	Very high	12 Å²	12	50.8 Å²	50.8	8%	0.084	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	168.5	-179.8	62.9	0	0	0	0	110.4	L197 H198 R216	L197-S218 WeakPolarHBondContact CA-O 3.46Å; H198-S218 PolarHBondContact N-O 3.31Å; H198-S218 PolarHBondContact O-N 3.05Å; R216-S218 PolarHBondContact NE-OG 2.7Å
219	C	91.9	Very high	94.2	Very high	101 Å²	101	40.4 Å²	40.4	68%	0.682	22%	0.218	S	C	*	.			trans	-65	0	166.4	-52.1	0	0	0	0	111.2	R196	R196-C219 PolarHBondContact NE-SG 2.68Å; R196-C219 VanDerWaalsContact NE-SG 3.38Å; R196-C219 WeakPolarHBondContact O-CA 3.47Å

Retrieved 219 of 219 residues in 66.2 ms (Link to these results)

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