A0A3Q0KVL7_SCHMA Loading...

Cytochrome b5 domain-containing protein 1

Radial spoke stalk protein that binds heme under oxidizing conditions. Required for the coordinated beating of multiple cilia maybe by functioning in a redox signaling pathway.

AlphaFold DB , UniProt , Accession A0A3Q0KVL7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 208 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.1	Very low	84.9	Confident	189 Å²	189	81 Å²	81	93%	0.931	38%	0.382	S	S	*	.				0	134.4	0	-121.1	162.3	176.7	0	0	107
2	K	58.8	Low	85.9	Confident	201 Å²	201	81 Å²	81	87%	0.874	39%	0.385	S	S	*	.			trans	-75	126.8	170.7	-79.8	-173.7	174.1	-172.5	0	107.4	R4	K2-R4 PolarHBondContact O-N 3.16Å
3	S	67.7	Low	86.7	Confident	28 Å²	28	80.1 Å²	80.1	20%	0.196	40%	0.399	C	S	.	.			trans	-57.9	135.2	176.1	-170.5	0	0	0	0	109	Y5 E143	S3-Y5 PolarHBondContact OG-N 2.78Å; S3-Y5 PolarHBondContact OG-O 2.88Å; S3-Y5 VanDerWaalsContact OG-O 3.05Å; S3-E143 PolarHBondContact OG-OE1 3.3Å; S3-E143 VanDerWaalsContact OG-OE1 3.11Å
4	R	87.7	Confident	87.5	Confident	179 Å²	179	77.4 Å²	77.4	68%	0.675	39%	0.385	S	S	*	.	S	Bend	trans	-83.6	-20.4	178.9	-68.2	-178.2	177.8	178.3	0.6	111.9	K2 Y116	K2-R4 PolarHBondContact O-N 3.16Å; R4-Y116 WeakPolarHBondContact O-CD2 3.39Å; R4-Y116 PolarHBondContact O-N 3.01Å
5	Y	95.5	Very high	88.1	Confident	71 Å²	71	78.5 Å²	78.5	28%	0.278	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	141.1	-175	-66.5	-84.1	0	0	0	110.3	S3 Y116 E142 R151	S3-Y5 PolarHBondContact OG-N 2.78Å; S3-Y5 PolarHBondContact OG-O 2.88Å; S3-Y5 VanDerWaalsContact OG-O 3.05Å; Y5-Y116 CarbonylContact C-O 3.57Å; Y5-Y116 WeakPolarHBondContact CA-O 3.45Å; Y5-Y116 HydrophobicContact CE1-CD2 4.39Å; Y5-Y116 HydrophobicContact CE1-CG 4.23Å; Y5-E142 HydrophobicContact CD1-CB 3.93Å; Y5-E142 HydrophobicContact CD1-CG 4.08Å; Y5-E142 HydrophobicContact CD2-CB 3.78Å; Y5-E142 HydrophobicContact CE1-CB 3.81Å; Y5-E142 HydrophobicContact CE1-CG 3.75Å; Y5-E142 HydrophobicContact CE2-CB 3.65Å; Y5-E142 HydrophobicContact CE2-CG 4.45Å; Y5-E142 HydrophobicContact CG-CB 3.92Å; Y5-R151 PolarHBondContact O-NH2 2.77Å
6	F	96.6	Very high	88.6	Confident	28 Å²	28	75.9 Å²	75.9	12%	0.123	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.7	-178	-65.1	-81	0	0	0	109.9	D10 V11 W21 V28 V114 Y116 T118	F6-D10 HydrophobicContact CB-CB 4.13Å; F6-D10 HydrophobicContact CD1-CB 4Å; F6-V11 HydrophobicContact CB-CG2 4.31Å; F6-W21 HydrophobicContact CD1-CH2 4.35Å; F6-W21 AromaticContact CD1-CZ3 3.75Å; F6-W21 HydrophobicContact CD1-CZ3 3.75Å; F6-W21 AromaticContact CE1-CH2 3.71Å; F6-W21 HydrophobicContact CE1-CH2 3.71Å; F6-W21 AromaticContact CE1-CZ3 3.59Å; F6-W21 HydrophobicContact CE1-CZ3 3.59Å; F6-W21 HydrophobicContact CG-CZ3 4.31Å; F6-W21 AromaticContact CZ-CH2 3.95Å; F6-W21 HydrophobicContact CZ-CH2 3.95Å; F6-W21 HydrophobicContact CZ-CZ3 4.03Å; F6-V28 HydrophobicContact CB-CG2 3.96Å; F6-V28 HydrophobicContact CD2-CB 4.15Å; F6-V28 HydrophobicContact CD2-CG1 4.49Å; F6-V28 HydrophobicContact CD2-CG2 4.03Å; F6-V28 HydrophobicContact CG-CG2 4.32Å; F6-V114 HydrophobicContact CE2-CG2 4.11Å; F6-V114 HydrophobicContact CZ-CG2 4.44Å; F6-Y116 PolarHBondContact N-O 3.02Å; F6-T118 WeakPolarHBondContact O-CG2 3.49Å; F6-T118 PolarHBondContact O-N 3.4Å
7	T	96.4	Very high	88.9	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.006	39%	0.386	C	S	.	.			trans	-77	160.1	169.7	73.7	0	0	0	0	109.9	N9 D10 V11 T121 E138	T7-N9 PolarHBondContact O-N 2.76Å; T7-N9 PolarHBondContact OG1-N 2.99Å; T7-D10 PolarHBondContact N-OD2 2.96Å; T7-D10 WeakPolarHBondContact O-CB 3.31Å; T7-D10 PolarHBondContact O-N 3.35Å; T7-D10 VanDerWaalsContact O-N 3.08Å; T7-D10 VanDerWaalsContact OG1-CG 3.23Å; T7-D10 PolarHBondContact OG1-N 2.82Å; T7-D10 PolarHBondContact OG1-OD2 2.82Å; T7-V11 PolarHBondContact O-N 3.13Å; T7-T121 HydrophobicContact CG2-CG2 3.84Å; T7-E138 HydrophobicContact CG2-CG 4.1Å
8	P	96.7	Very high	89.4	Confident	67 Å²	67	78.4 Å²	78.4	44%	0.435	40%	0.399	S	S	.	.	H	α-helix	trans	-55.6	-32.9	170.5	-26.2	36.4	0	0	0	112.8	V11 L12 L117 T121	P8-V11 PolarHBondContact O-N 3.21Å; P8-L12 WeakPolarHBondContact O-CB 3.49Å; P8-L12 PolarHBondContact O-N 2.95Å; P8-L117 HydrophobicContact CG-CD1 4.46Å; P8-T121 VanDerWaalsContact CD-CG2 3.49Å
9	N	96.4	Very high	89.8	Confident	85 Å²	85	77.5 Å²	77.5	46%	0.455	40%	0.395	S	S	.	.	H	α-helix	trans	-71.6	-34.4	176.3	-72.9	-32.4	0	0	0	112.9	T7 V11 L12 A13 E138	T7-N9 PolarHBondContact O-N 2.76Å; T7-N9 PolarHBondContact OG1-N 2.99Å; N9-V11 VanDerWaalsContact C-N 3.31Å; N9-V11 PolarHBondContact O-N 3.47Å; N9-L12 PolarHBondContact O-N 3.36Å; N9-A13 PolarHBondContact O-N 3.12Å; N9-A13 VanDerWaalsContact O-N 3.17Å; N9-E138 WeakPolarHBondContact CB-OE2 3.42Å; N9-E138 PolarHBondContact ND2-OE2 2.93Å
10	D	95.7	Very high	90.2	Very high	41 Å²	41	73.6 Å²	73.6	22%	0.219	38%	0.376	C	S	.	.	H	α-helix	trans	-60.3	-44.4	172.2	-64	-33.3	0	0	0	110.1	F6 T7 H14 R151	F6-D10 HydrophobicContact CB-CB 4.13Å; F6-D10 HydrophobicContact CD1-CB 4Å; T7-D10 PolarHBondContact N-OD2 2.96Å; T7-D10 WeakPolarHBondContact O-CB 3.31Å; T7-D10 PolarHBondContact O-N 3.35Å; T7-D10 VanDerWaalsContact O-N 3.08Å; T7-D10 VanDerWaalsContact OG1-CG 3.23Å; T7-D10 PolarHBondContact OG1-N 2.82Å; T7-D10 PolarHBondContact OG1-OD2 2.82Å; D10-H14 PolarHBondContact O-CE1 2.65Å; D10-H14 PolarHBondContact O-ND1 3.38Å; D10-R151 IonicContact OD1-NH1 2.69Å; D10-R151 PolarHBondContact OD1-NH1 2.72Å; D10-R151 VanDerWaalsContact OD1-NH1 3.11Å; D10-R151 IonicContact OD2-CZ 3.41Å; D10-R151 VanDerWaalsContact OD2-CZ 3.32Å; D10-R151 IonicContact OD2-NH1 3.54Å; D10-R151 PolarHBondContact OD2-NH1 3.38Å; D10-R151 IonicContact OD2-NH2 2.71Å; D10-R151 PolarHBondContact OD2-NH2 3.09Å
11	V	97.2	Very high	90.5	Very high	1 Å²	1	71.4 Å²	71.4	1%	0.006	36%	0.363	C	S	.	.	H	α-helix	trans	-65.8	-43.3	176.2	-176.7	0	0	0	0	111.1	F6 T7 P8 N9 A13 H14 W21 V28 G52 L117	F6-V11 HydrophobicContact CB-CG2 4.31Å; T7-V11 PolarHBondContact O-N 3.13Å; P8-V11 PolarHBondContact O-N 3.21Å; N9-V11 VanDerWaalsContact C-N 3.31Å; N9-V11 PolarHBondContact O-N 3.47Å; V11-A13 PolarHBondContact O-N 3.43Å; V11-H14 PolarHBondContact O-N 3.23Å; V11-W21 HydrophobicContact CG1-CB 4.11Å; V11-V28 HydrophobicContact CG2-CB 4.47Å; V11-V28 HydrophobicContact CG2-CG1 3.83Å; V11-V28 HydrophobicContact CG2-CG2 3.72Å; V11-G52 WeakPolarHBondContact O-CA 3.39Å; V11-L117 HydrophobicContact CG2-CD1 4Å
12	L	97.4	Very high	93	Very high	81 Å²	81	62.5 Å²	62.5	42%	0.424	32%	0.319	S	S	.	.	H	α-helix	trans	-59.3	-30.4	-179.1	-177.4	63.3	0	0	0	113.6	P8 N9 H14 N15 G52	P8-L12 WeakPolarHBondContact O-CB 3.49Å; P8-L12 PolarHBondContact O-N 2.95Å; N9-L12 PolarHBondContact O-N 3.36Å; L12-H14 PolarHBondContact O-N 3.03Å; L12-N15 WeakPolarHBondContact O-CB 3.47Å; L12-N15 PolarHBondContact O-ND2 3.34Å; L12-G52 WeakPolarHBondContact CA-O 3.25Å
13	A	96.4	Very high	94.9	Very high	69 Å²	69	53.1 Å²	53.1	57%	0.57	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.8	177.6	0	0	0	0	0	113.2	N9 V11	N9-A13 PolarHBondContact O-N 3.12Å; N9-A13 VanDerWaalsContact O-N 3.17Å; V11-A13 PolarHBondContact O-N 3.43Å
14	H	97.1	Very high	96.3	Very high	43 Å²	43	52 Å²	52	20%	0.199	27%	0.27	C	S	.	.			trans	-104.9	67.4	-176.1	-55.9	65.4	0	0	0	109	D10 V11 L12 D19 W21	D10-H14 PolarHBondContact O-CE1 2.65Å; D10-H14 PolarHBondContact O-ND1 3.38Å; V11-H14 PolarHBondContact O-N 3.23Å; L12-H14 PolarHBondContact O-N 3.03Å; H14-D19 CarbonylContact C-O 3.52Å; H14-D19 WeakPolarHBondContact CA-O 3.24Å; H14-D19 IonicContact CD2-OD1 3.94Å; H14-D19 PolarHBondContact CD2-OD1 2.96Å; H14-D19 IonicContact CD2-OD2 3.34Å; H14-D19 PolarHBondContact CD2-OD2 3.49Å; H14-D19 IonicContact CG-OD1 2.76Å; H14-D19 IonicContact CG-OD2 2.84Å; H14-W21 HydrophobicContact CB-CB 3.72Å; H14-W21 HydrophobicContact CB-CD2 3.85Å; H14-W21 HydrophobicContact CB-CE3 4.38Å; H14-W21 HydrophobicContact CB-CG 3.51Å; H14-W21 AromaticContact CD2-CD2 3.57Å; H14-W21 AromaticContact CD2-CE2 3.34Å; H14-W21 AromaticContact CD2-CZ2 3.63Å; H14-W21 AromaticContact CD2-NE1 3.61Å; H14-W21 AromaticContact CE1-CZ3 3.92Å; H14-W21 AromaticContact CG-CD2 3.62Å; H14-W21 AromaticContact CG-CE2 3.9Å; H14-W21 AromaticContact CG-CE3 3.91Å; H14-W21 AromaticContact CG-CG 3.86Å; H14-W21 AromaticContact ND1-CE3 3.93Å; H14-W21 AromaticContact NE2-CE2 3.8Å; H14-W21 AromaticContact NE2-CH2 3.65Å; H14-W21 AromaticContact NE2-CZ2 3.58Å; H14-W21 AromaticContact NE2-CZ3 3.94Å; H14-W21 PolarHBondContact O-N 3.35Å
15	N	96.9	Very high	96.7	Very high	93 Å²	93	45.8 Å²	45.8	50%	0.497	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	21	-170.4	67.5	9.4	0	0	0	114.8	L12 D19 A51	L12-N15 WeakPolarHBondContact O-CB 3.47Å; L12-N15 PolarHBondContact O-ND2 3.34Å; N15-D19 PolarHBondContact N-O 2.85Å; N15-A51 HydrophobicContact CB-CB 4.4Å
16	S	95.7	Very high	96.7	Very high	38 Å²	38	44.1 Å²	44.1	27%	0.266	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	158.7	-176.5	73.6	0	0	0	0	112	E18 D19 C20	S16-E18 PolarHBondContact O-N 3.35Å; S16-D19 PolarHBondContact N-O 3.13Å; S16-D19 CarbonylContact O-C 3.58Å; S16-D19 PolarHBondContact O-N 3.34Å; S16-D19 VanDerWaalsContact O-N 3.07Å; S16-D19 PolarHBondContact OG-N 3.38Å; S16-D19 VanDerWaalsContact OG-N 3.14Å; S16-D19 PolarHBondContact OG-O 2.93Å; S16-C20 WeakPolarHBondContact O-CA 3.45Å; S16-C20 WeakPolarHBondContact O-CB 3.25Å; S16-C20 PolarHBondContact O-N 2.93Å
17	P	94.7	Very high	96.7	Very high	63 Å²	63	47.3 Å²	47.3	41%	0.409	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.1	177	-22.8	33.1	0	0	0	114.3	C35 L48	P17-C35 VanDerWaalsContact O-CB 3.32Å; P17-C35 WeakPolarHBondContact O-CB 3.43Å; P17-L48 HydrophobicContact CB-CD2 4Å; P17-L48 HydrophobicContact CG-CD1 4.34Å; P17-L48 HydrophobicContact CG-CD2 3.97Å
18	E	96.6	Very high	96.8	Very high	134 Å²	134	47.2 Å²	47.2	63%	0.626	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-13.1	177.7	-62.7	76.6	-164.9	0	0	113.5	S16 T32	S16-E18 PolarHBondContact O-N 3.35Å; E18-T32 WeakPolarHBondContact O-CG2 3.45Å
19	D	97.2	Very high	96.8	Very high	60 Å²	60	44.5 Å²	44.5	32%	0.321	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	87.9	178	-173.8	18.4	0	0	0	109.2	H14 N15 S16	H14-D19 CarbonylContact C-O 3.52Å; H14-D19 WeakPolarHBondContact CA-O 3.24Å; H14-D19 IonicContact CD2-OD1 3.94Å; H14-D19 PolarHBondContact CD2-OD1 2.96Å; H14-D19 IonicContact CD2-OD2 3.34Å; H14-D19 PolarHBondContact CD2-OD2 3.49Å; H14-D19 IonicContact CG-OD1 2.76Å; H14-D19 IonicContact CG-OD2 2.84Å; N15-D19 PolarHBondContact N-O 2.85Å; S16-D19 PolarHBondContact N-O 3.13Å; S16-D19 CarbonylContact O-C 3.58Å; S16-D19 PolarHBondContact O-N 3.34Å; S16-D19 VanDerWaalsContact O-N 3.07Å; S16-D19 PolarHBondContact OG-N 3.38Å; S16-D19 VanDerWaalsContact OG-N 3.14Å; S16-D19 PolarHBondContact OG-O 2.93Å
20	C	97.5	Very high	96.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	100.7	-165.8	-176.1	0	0	0	0	110.7	S16 L31 T32	S16-C20 WeakPolarHBondContact O-CA 3.45Å; S16-C20 WeakPolarHBondContact O-CB 3.25Å; S16-C20 PolarHBondContact O-N 2.93Å; C20-L31 WeakPolarHBondContact O-CA 3.42Å; C20-L31 PolarHBondContact O-N 3.09Å; C20-T32 PolarHBondContact N-OG1 2.8Å
21	W	98.1	Very high	97	Very high	28 Å²	28	40.5 Å²	40.5	11%	0.106	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	151.6	170.5	-65	6.9	0	0	0	111.5	F6 V11 H14 V28 W29 G52 V114	F6-W21 HydrophobicContact CD1-CH2 4.35Å; F6-W21 AromaticContact CD1-CZ3 3.75Å; F6-W21 HydrophobicContact CD1-CZ3 3.75Å; F6-W21 AromaticContact CE1-CH2 3.71Å; F6-W21 HydrophobicContact CE1-CH2 3.71Å; F6-W21 AromaticContact CE1-CZ3 3.59Å; F6-W21 HydrophobicContact CE1-CZ3 3.59Å; F6-W21 HydrophobicContact CG-CZ3 4.31Å; F6-W21 AromaticContact CZ-CH2 3.95Å; F6-W21 HydrophobicContact CZ-CH2 3.95Å; F6-W21 HydrophobicContact CZ-CZ3 4.03Å; V11-W21 HydrophobicContact CG1-CB 4.11Å; H14-W21 HydrophobicContact CB-CB 3.72Å; H14-W21 HydrophobicContact CB-CD2 3.85Å; H14-W21 HydrophobicContact CB-CE3 4.38Å; H14-W21 HydrophobicContact CB-CG 3.51Å; H14-W21 AromaticContact CD2-CD2 3.57Å; H14-W21 AromaticContact CD2-CE2 3.34Å; H14-W21 AromaticContact CD2-CZ2 3.63Å; H14-W21 AromaticContact CD2-NE1 3.61Å; H14-W21 AromaticContact CE1-CZ3 3.92Å; H14-W21 AromaticContact CG-CD2 3.62Å; H14-W21 AromaticContact CG-CE2 3.9Å; H14-W21 AromaticContact CG-CE3 3.91Å; H14-W21 AromaticContact CG-CG 3.86Å; H14-W21 AromaticContact ND1-CE3 3.93Å; H14-W21 AromaticContact NE2-CE2 3.8Å; H14-W21 AromaticContact NE2-CH2 3.65Å; H14-W21 AromaticContact NE2-CZ2 3.58Å; H14-W21 AromaticContact NE2-CZ3 3.94Å; H14-W21 PolarHBondContact O-N 3.35Å; W21-V28 HydrophobicContact CB-CG1 4.43Å; W21-V28 HydrophobicContact CD2-CG1 4.15Å; W21-V28 HydrophobicContact CE3-CG1 3.58Å; W21-V28 HydrophobicContact CZ3-CG1 4.16Å; W21-W29 VanDerWaalsContact CA-O 3.23Å; W21-W29 WeakPolarHBondContact CA-O 3.45Å; W21-G52 WeakPolarHBondContact O-CA 3.46Å; W21-G52 PolarHBondContact O-N 2.69Å; W21-V114 HydrophobicContact CD2-CG2 4.37Å; W21-V114 HydrophobicContact CE3-CG2 4.32Å; W21-V114 HydrophobicContact CH2-CG2 4.09Å; W21-V114 HydrophobicContact CZ2-CG1 4.45Å; W21-V114 HydrophobicContact CZ2-CG2 4.13Å; W21-V114 HydrophobicContact CZ3-CG2 4.18Å
22	V	98	Very high	97	Very high	1 Å²	1	42 Å²	42	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	153.8	167.4	-62.5	0	0	0	0	108.4	F24 W29 L31 I55	V22-F24 HydrophobicContact CG2-CD1 4.32Å; V22-W29 HydrophobicContact CG2-CB 4.08Å; V22-W29 PolarHBondContact N-O 3.16Å; V22-W29 PolarHBondContact O-N 3.45Å; V22-L31 HydrophobicContact CB-CD1 4.48Å; V22-L31 HydrophobicContact CG1-CD1 4.13Å; V22-L31 HydrophobicContact CG2-CD1 3.51Å; V22-L31 HydrophobicContact CG2-CG 3.93Å; V22-I55 HydrophobicContact CB-CD1 3.95Å; V22-I55 HydrophobicContact CB-CG1 4.23Å; V22-I55 HydrophobicContact CG1-CD1 4.27Å; V22-I55 HydrophobicContact CG2-CD1 3.72Å; V22-I55 HydrophobicContact CG2-CG1 4.32Å
23	S	97.8	Very high	97	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.028	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	142	167.8	61.6	0	0	0	0	110.4	Y27 K53 D54 I55	S23-Y27 CarbonylContact C-O 3.53Å; S23-Y27 WeakPolarHBondContact CA-O 3.42Å; S23-K53 PolarHBondContact N-O 3.11Å; S23-D54 CarbonylContact O-C 3.58Å; S23-D54 VanDerWaalsContact O-CA 3.3Å; S23-D54 WeakPolarHBondContact O-CA 3.49Å; S23-D54 VanDerWaalsContact OG-CA 3.29Å; S23-D54 WeakPolarHBondContact OG-CA 3.32Å; S23-D54 WeakPolarHBondContact OG-CB 3.46Å; S23-I55 PolarHBondContact O-N 3.01Å
24	F	97.1	Very high	97	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	145.6	164.6	64.1	-85.4	0	0	0	111.5	V22 G26 Y27 W29 I55 S56 F59 W106 W107	V22-F24 HydrophobicContact CG2-CD1 4.32Å; F24-G26 PolarHBondContact O-N 2.82Å; F24-G26 VanDerWaalsContact O-N 3.12Å; F24-Y27 PolarHBondContact N-O 2.88Å; F24-Y27 PolarHBondContact O-N 2.82Å; F24-W29 AromaticContact CD1-CD1 3.53Å; F24-W29 HydrophobicContact CD1-CG 4.07Å; F24-W29 AromaticContact CD1-NE1 3.69Å; F24-W29 HydrophobicContact CE1-CB 4.19Å; F24-W29 AromaticContact CE1-CD1 3.16Å; F24-W29 AromaticContact CE1-CD2 3.45Å; F24-W29 HydrophobicContact CE1-CD2 3.45Å; F24-W29 VanDerWaalsContact CE1-CD2 3.45Å; F24-W29 AromaticContact CE1-CE2 3.37Å; F24-W29 HydrophobicContact CE1-CE3 4.23Å; F24-W29 AromaticContact CE1-CG 3.36Å; F24-W29 HydrophobicContact CE1-CG 3.36Å; F24-W29 HydrophobicContact CE1-CZ2 4.13Å; F24-W29 AromaticContact CE1-NE1 3.15Å; F24-W29 AromaticContact CE2-CE2 3.89Å; F24-W29 AromaticContact CE2-CZ2 3.95Å; F24-W29 HydrophobicContact CE2-CZ2 3.95Å; F24-W29 AromaticContact CE2-NE1 3.77Å; F24-W29 AromaticContact CZ-CD1 3.76Å; F24-W29 AromaticContact CZ-CD2 3.58Å; F24-W29 HydrophobicContact CZ-CD2 3.58Å; F24-W29 AromaticContact CZ-CE2 3.1Å; F24-W29 HydrophobicContact CZ-CE3 4.18Å; F24-W29 HydrophobicContact CZ-CG 4Å; F24-W29 HydrophobicContact CZ-CH2 4.06Å; F24-W29 AromaticContact CZ-CZ2 3.38Å; F24-W29 HydrophobicContact CZ-CZ2 3.38Å; F24-W29 HydrophobicContact CZ-CZ3 4.4Å; F24-W29 AromaticContact CZ-NE1 3.2Å; F24-I55 HydrophobicContact CB-CG1 3.88Å; F24-I55 HydrophobicContact CD1-CD1 4.21Å; F24-I55 HydrophobicContact CD1-CG1 4.1Å; F24-I55 HydrophobicContact CG-CG1 4.34Å; F24-S56 WeakPolarHBondContact CA-OG 3.38Å; F24-F59 HydrophobicContact CB-CD2 4.05Å; F24-F59 HydrophobicContact CB-CE2 4.25Å; F24-F59 HydrophobicContact CD1-CE2 4.25Å; F24-F59 AromaticContact CD2-CD2 3.81Å; F24-F59 HydrophobicContact CD2-CD2 3.81Å; F24-F59 AromaticContact CD2-CE2 3.98Å; F24-F59 HydrophobicContact CD2-CE2 3.98Å; F24-F59 HydrophobicContact CD2-CG 4.2Å; F24-F59 HydrophobicContact CE2-CD2 4.45Å; F24-F59 HydrophobicContact CE2-CE2 4.37Å; F24-F59 HydrophobicContact CE2-CZ 4.46Å; F24-F59 AromaticContact CG-CD2 3.97Å; F24-F59 HydrophobicContact CG-CD2 3.97Å; F24-F59 AromaticContact CG-CE2 3.91Å; F24-F59 HydrophobicContact CG-CE2 3.91Å; F24-W106 HydrophobicContact CE1-CH2 4.4Å; F24-W106 AromaticContact CE1-CZ3 3.69Å; F24-W106 HydrophobicContact CE1-CZ3 3.69Å; F24-W106 HydrophobicContact CZ-CZ3 4.17Å; F24-W107 HydrophobicContact CE2-CB 4.32Å; F24-W107 HydrophobicContact CZ-CB 3.92Å
25	L	95.9	Very high	97	Very high	48 Å²	48	35.9 Å²	35.9	25%	0.251	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	34.8	178.5	-56.4	179.2	0	0	0	113	Y27 S56 F59 E61	L25-Y27 VanDerWaalsContact O-CD2 3.23Å; L25-Y27 WeakPolarHBondContact O-CD2 3.47Å; L25-Y27 WeakPolarHBondContact O-CE2 3.41Å; L25-S56 PolarHBondContact N-OG 3.41Å; L25-F59 HydrophobicContact CD1-CB 4.02Å; L25-F59 HydrophobicContact CG-CB 4.38Å; L25-E61 HydrophobicContact CD2-CB 4.25Å; L25-E61 HydrophobicContact CD2-CG 3.74Å
26	G	95.7	Very high	96.9	Very high	35 Å²	35	34.8 Å²	34.8	36%	0.361	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	3.3	178.8	0	0	0	0	0	115.7	F24 Y116 L117	F24-G26 PolarHBondContact O-N 2.82Å; F24-G26 VanDerWaalsContact O-N 3.12Å; G26-Y116 WeakPolarHBondContact O-CA 3.13Å; G26-L117 PolarHBondContact O-N 3.18Å
27	Y	97.1	Very high	96.9	Very high	95 Å²	95	39.6 Å²	39.6	37%	0.373	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.4	177.8	-62.8	-87.6	0	0	0	111.1	S23 F24 L25 W29 I113 Y116	S23-Y27 CarbonylContact C-O 3.53Å; S23-Y27 WeakPolarHBondContact CA-O 3.42Å; F24-Y27 PolarHBondContact N-O 2.88Å; F24-Y27 PolarHBondContact O-N 2.82Å; L25-Y27 VanDerWaalsContact O-CD2 3.23Å; L25-Y27 WeakPolarHBondContact O-CD2 3.47Å; L25-Y27 WeakPolarHBondContact O-CE2 3.41Å; Y27-W29 VanDerWaalsContact CB-NE1 3.3Å; Y27-I113 HydrophobicContact CD1-CD1 4.09Å; Y27-I113 HydrophobicContact CD1-CG2 4.02Å; Y27-I113 HydrophobicContact CG-CD1 4.45Å; Y27-Y116 AromaticContact CD1-CD1 3.88Å; Y27-Y116 HydrophobicContact CD1-CD1 3.88Å; Y27-Y116 AromaticContact CD1-CE1 3.82Å; Y27-Y116 HydrophobicContact CD1-CE1 3.82Å; Y27-Y116 AromaticContact CE1-CD1 3.81Å; Y27-Y116 HydrophobicContact CE1-CD1 3.81Å; Y27-Y116 AromaticContact CE1-CE1 3.34Å; Y27-Y116 HydrophobicContact CE1-CE1 3.34Å
28	V	97.7	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128	170.7	-176.9	0	0	0	0	109.1	F6 V11 W21 I113 V114 G115 L117	F6-V28 HydrophobicContact CB-CG2 3.96Å; F6-V28 HydrophobicContact CD2-CB 4.15Å; F6-V28 HydrophobicContact CD2-CG1 4.49Å; F6-V28 HydrophobicContact CD2-CG2 4.03Å; F6-V28 HydrophobicContact CG-CG2 4.32Å; V11-V28 HydrophobicContact CG2-CB 4.47Å; V11-V28 HydrophobicContact CG2-CG1 3.83Å; V11-V28 HydrophobicContact CG2-CG2 3.72Å; W21-V28 HydrophobicContact CB-CG1 4.43Å; W21-V28 HydrophobicContact CD2-CG1 4.15Å; W21-V28 HydrophobicContact CE3-CG1 3.58Å; W21-V28 HydrophobicContact CZ3-CG1 4.16Å; V28-I113 WeakPolarHBondContact O-CA 3.43Å; V28-V114 HydrophobicContact CB-CG2 3.91Å; V28-V114 HydrophobicContact CG1-CG2 3.58Å; V28-V114 WeakPolarHBondContact O-CG2 3.32Å; V28-V114 PolarHBondContact O-N 2.95Å; V28-G115 PolarHBondContact N-O 3.49Å; V28-L117 HydrophobicContact CG2-CB 4.1Å; V28-L117 HydrophobicContact CG2-CD1 4.3Å
29	W	97.8	Very high	96.7	Very high	9 Å²	9	40.3 Å²	40.3	3%	0.034	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.5	-173.2	-67.6	72.8	0	0	0	110.3	W21 V22 F24 Y27 L31 W106 W107 D109 L112 I113	W21-W29 VanDerWaalsContact CA-O 3.23Å; W21-W29 WeakPolarHBondContact CA-O 3.45Å; V22-W29 HydrophobicContact CG2-CB 4.08Å; V22-W29 PolarHBondContact N-O 3.16Å; V22-W29 PolarHBondContact O-N 3.45Å; F24-W29 AromaticContact CD1-CD1 3.53Å; F24-W29 HydrophobicContact CD1-CG 4.07Å; F24-W29 AromaticContact CD1-NE1 3.69Å; F24-W29 HydrophobicContact CE1-CB 4.19Å; F24-W29 AromaticContact CE1-CD1 3.16Å; F24-W29 AromaticContact CE1-CD2 3.45Å; F24-W29 HydrophobicContact CE1-CD2 3.45Å; F24-W29 VanDerWaalsContact CE1-CD2 3.45Å; F24-W29 AromaticContact CE1-CE2 3.37Å; F24-W29 HydrophobicContact CE1-CE3 4.23Å; F24-W29 AromaticContact CE1-CG 3.36Å; F24-W29 HydrophobicContact CE1-CG 3.36Å; F24-W29 HydrophobicContact CE1-CZ2 4.13Å; F24-W29 AromaticContact CE1-NE1 3.15Å; F24-W29 AromaticContact CE2-CE2 3.89Å; F24-W29 AromaticContact CE2-CZ2 3.95Å; F24-W29 HydrophobicContact CE2-CZ2 3.95Å; F24-W29 AromaticContact CE2-NE1 3.77Å; F24-W29 AromaticContact CZ-CD1 3.76Å; F24-W29 AromaticContact CZ-CD2 3.58Å; F24-W29 HydrophobicContact CZ-CD2 3.58Å; F24-W29 AromaticContact CZ-CE2 3.1Å; F24-W29 HydrophobicContact CZ-CE3 4.18Å; F24-W29 HydrophobicContact CZ-CG 4Å; F24-W29 HydrophobicContact CZ-CH2 4.06Å; F24-W29 AromaticContact CZ-CZ2 3.38Å; F24-W29 HydrophobicContact CZ-CZ2 3.38Å; F24-W29 HydrophobicContact CZ-CZ3 4.4Å; F24-W29 AromaticContact CZ-NE1 3.2Å; Y27-W29 VanDerWaalsContact CB-NE1 3.3Å; W29-L31 HydrophobicContact CB-CD2 4.28Å; W29-W106 WeakPolarHBondContact CZ3-O 3.35Å; W29-W107 WeakPolarHBondContact CH2-O 3.4Å; W29-D109 WeakPolarHBondContact CZ3-O 3.49Å; W29-L112 CarbonylContact C-O 3.6Å; W29-L112 WeakPolarHBondContact CA-O 3.41Å; W29-L112 HydrophobicContact CE3-CB 3.63Å; W29-L112 HydrophobicContact CE3-CD1 4.48Å; W29-L112 HydrophobicContact CZ3-CB 4.01Å; W29-I113 HydrophobicContact CD2-CG1 3.8Å; W29-I113 HydrophobicContact CE3-CG1 4.07Å; W29-I113 HydrophobicContact CG-CG1 4.5Å; W29-I113 HydrophobicContact CH2-CD1 3.94Å; W29-I113 HydrophobicContact CH2-CG1 3.78Å; W29-I113 HydrophobicContact CZ2-CD1 3.59Å; W29-I113 HydrophobicContact CZ2-CG1 3.51Å; W29-I113 HydrophobicContact CZ3-CG1 4.06Å
30	D	97.6	Very high	96.4	Very high	43 Å²	43	41.4 Å²	41.4	23%	0.23	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	105.2	170.2	179.5	8.5	0	0	0	109.7	T32 L112 V114	D30-T32 WeakPolarHBondContact OD1-CB 3.14Å; D30-T32 PolarHBondContact OD1-N 2.96Å; D30-T32 PolarHBondContact OD1-OG1 3.37Å; D30-L112 PolarHBondContact N-O 2.73Å; D30-V114 HydrophobicContact CB-CG1 3.61Å
31	L	97.8	Very high	96.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.254	C	S	.	.			trans	-94.6	6.6	179.1	-58.4	-171.9	0	0	0	112.9	C20 V22 W29 P33 I34 C35 I47 W106 L112	C20-L31 WeakPolarHBondContact O-CA 3.42Å; C20-L31 PolarHBondContact O-N 3.09Å; V22-L31 HydrophobicContact CB-CD1 4.48Å; V22-L31 HydrophobicContact CG1-CD1 4.13Å; V22-L31 HydrophobicContact CG2-CD1 3.51Å; V22-L31 HydrophobicContact CG2-CG 3.93Å; W29-L31 HydrophobicContact CB-CD2 4.28Å; L31-P33 VanDerWaalsContact C-CD 3.42Å; L31-P33 VanDerWaalsContact C-N 3.3Å; L31-I34 HydrophobicContact CB-CB 4.48Å; L31-I34 HydrophobicContact CD2-CG1 4.3Å; L31-I34 WeakPolarHBondContact O-CA 3.39Å; L31-I34 WeakPolarHBondContact O-CB 3.39Å; L31-I34 PolarHBondContact O-N 3.47Å; L31-C35 PolarHBondContact O-N 2.8Å; L31-C35 PolarHBondContact O-SG 3.02Å; L31-I47 HydrophobicContact CD1-CG2 3.64Å; L31-W106 HydrophobicContact CD1-CE3 4.14Å; L31-W106 HydrophobicContact CD1-CH2 4.19Å; L31-W106 HydrophobicContact CD1-CZ3 3.89Å; L31-W106 HydrophobicContact CD2-CD2 4.22Å; L31-W106 HydrophobicContact CD2-CE3 3.51Å; L31-W106 HydrophobicContact CD2-CZ3 3.91Å; L31-W106 HydrophobicContact CG-CE3 4.5Å; L31-L112 HydrophobicContact CD2-CD1 4.19Å
32	T	97.5	Very high	96	Very high	32 Å²	32	48.1 Å²	48.1	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-51.7	-42.8	176.2	-52.6	0	0	0	0	112.7	E18 C20 D30 I34 C35 A36	E18-T32 WeakPolarHBondContact O-CG2 3.45Å; C20-T32 PolarHBondContact N-OG1 2.8Å; D30-T32 WeakPolarHBondContact OD1-CB 3.14Å; D30-T32 PolarHBondContact OD1-N 2.96Å; D30-T32 PolarHBondContact OD1-OG1 3.37Å; T32-I34 VanDerWaalsContact C-N 3.32Å; T32-I34 PolarHBondContact O-N 3.29Å; T32-C35 PolarHBondContact O-N 2.84Å; T32-A36 WeakPolarHBondContact O-CB 3.33Å; T32-A36 PolarHBondContact O-N 3.21Å
33	P	96.7	Very high	95.8	Very high	50 Å²	50	48.9 Å²	48.9	33%	0.325	29%	0.285	S	S	.	.	H	α-helix	trans	-63	-36	175	-22.1	34.6	0	0	0	113.3	L31 A36 Q37 L112	L31-P33 VanDerWaalsContact C-CD 3.42Å; L31-P33 VanDerWaalsContact C-N 3.3Å; P33-A36 PolarHBondContact O-N 3.5Å; P33-Q37 WeakPolarHBondContact O-CB 3.5Å; P33-Q37 WeakPolarHBondContact O-CG 3.41Å; P33-Q37 PolarHBondContact O-N 2.97Å; P33-L112 HydrophobicContact CB-CD2 4.47Å; P33-L112 HydrophobicContact CG-CD2 4.15Å
34	I	96.5	Very high	95.7	Very high	8 Å²	8	49 Å²	49	4%	0.041	29%	0.285	C	S	.	.	H	α-helix	trans	-69.3	-42.5	179.1	-57.3	-57.8	0	0	0	110.4	L31 T32 Q37 N38 L44 V87 W106 L112	L31-I34 HydrophobicContact CB-CB 4.48Å; L31-I34 HydrophobicContact CD2-CG1 4.3Å; L31-I34 WeakPolarHBondContact O-CA 3.39Å; L31-I34 WeakPolarHBondContact O-CB 3.39Å; L31-I34 PolarHBondContact O-N 3.47Å; T32-I34 VanDerWaalsContact C-N 3.32Å; T32-I34 PolarHBondContact O-N 3.29Å; I34-Q37 PolarHBondContact O-N 2.93Å; I34-N38 WeakPolarHBondContact O-CB 3.39Å; I34-N38 PolarHBondContact O-N 3.1Å; I34-N38 VanDerWaalsContact O-N 3.07Å; I34-N38 PolarHBondContact O-ND2 3.48Å; I34-L44 HydrophobicContact CG2-CD2 4.42Å; I34-V87 HydrophobicContact CG2-CB 4.28Å; I34-V87 HydrophobicContact CG2-CG1 3.94Å; I34-V87 HydrophobicContact CG2-CG2 4.44Å; I34-W106 HydrophobicContact CD1-CB 3.81Å; I34-W106 HydrophobicContact CG1-CB 3.95Å; I34-L112 HydrophobicContact CD1-CD1 4.07Å; I34-L112 HydrophobicContact CG1-CD1 3.94Å
35	C	96.5	Very high	95.6	Very high	6 Å²	6	54 Å²	54	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-60.2	-44.4	173.5	-67.8	0	0	0	0	111.6	P17 L31 T32 N38 K39 L44	P17-C35 VanDerWaalsContact O-CB 3.32Å; P17-C35 WeakPolarHBondContact O-CB 3.43Å; L31-C35 PolarHBondContact O-N 2.8Å; L31-C35 PolarHBondContact O-SG 3.02Å; T32-C35 PolarHBondContact O-N 2.84Å; C35-N38 PolarHBondContact O-N 3.03Å; C35-K39 PolarHBondContact O-N 3Å; C35-L44 WeakPolarHBondContact O-CD1 3.43Å
36	A	96.3	Very high	95.6	Very high	70 Å²	70	52.2 Å²	52.2	58%	0.579	30%	0.3	S	S	*	.	H	α-helix	trans	-64	-43.8	177.9	0	0	0	0	0	112.5	T32 P33 N38	T32-A36 WeakPolarHBondContact O-CB 3.33Å; T32-A36 PolarHBondContact O-N 3.21Å; P33-A36 PolarHBondContact O-N 3.5Å; A36-N38 VanDerWaalsContact C-N 3.34Å; A36-N38 PolarHBondContact O-N 3.31Å
37	Q	94.5	Very high	95.7	Very high	140 Å²	140	50.6 Å²	50.6	65%	0.654	28%	0.283	S	S	*	.	H	α-helix	trans	-68.1	-32.2	-179.6	-72.5	168.7	30.5	0	0	113.1	P33 I34	P33-Q37 WeakPolarHBondContact O-CB 3.5Å; P33-Q37 WeakPolarHBondContact O-CG 3.41Å; P33-Q37 PolarHBondContact O-N 2.97Å; I34-Q37 PolarHBondContact O-N 2.93Å
38	N	93.6	Very high	95.6	Very high	39 Å²	39	48.3 Å²	48.3	21%	0.209	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	21.3	-174.5	-67	-91.8	0	0	0	112.6	I34 C35 A36 G40 S41 L44 V87	I34-N38 WeakPolarHBondContact O-CB 3.39Å; I34-N38 PolarHBondContact O-N 3.1Å; I34-N38 VanDerWaalsContact O-N 3.07Å; I34-N38 PolarHBondContact O-ND2 3.48Å; C35-N38 PolarHBondContact O-N 3.03Å; A36-N38 VanDerWaalsContact C-N 3.34Å; A36-N38 PolarHBondContact O-N 3.31Å; N38-G40 PolarHBondContact O-N 3.23Å; N38-S41 WeakPolarHBondContact O-CB 3.44Å; N38-S41 PolarHBondContact O-N 3.45Å; N38-L44 VanDerWaalsContact C-CD1 3.41Å; N38-L44 HydrophobicContact CB-CD1 3.73Å; N38-L44 HydrophobicContact CB-CD2 3.95Å; N38-L44 HydrophobicContact CB-CG 3.67Å; N38-L44 WeakPolarHBondContact O-CD1 3.32Å; N38-V87 HydrophobicContact CB-CG2 4.11Å
39	K	93.7	Very high	95.6	Very high	172 Å²	172	55.1 Å²	55.1	75%	0.748	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	126.3	-173.2	-171	170.1	-176.3	165.3	0	111.9	C35 S41	C35-K39 PolarHBondContact O-N 3Å; K39-S41 VanDerWaalsContact C-N 3.28Å; K39-S41 PolarHBondContact O-N 3.34Å
40	G	91.4	Very high	95.5	Very high	84 Å²	84	56.1 Å²	56.1	87%	0.866	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-5.1	-177.5	0	0	0	0	0	115.1	N38	N38-G40 PolarHBondContact O-N 3.23Å
41	S	93.4	Very high	95.5	Very high	38 Å²	38	54.4 Å²	54.4	27%	0.266	30%	0.303	S	S	.	.			trans	-69.3	135.6	173.9	-176.7	0	0	0	0	111.3	N38 K39 L43 L44	N38-S41 WeakPolarHBondContact O-CB 3.44Å; N38-S41 PolarHBondContact O-N 3.45Å; K39-S41 VanDerWaalsContact C-N 3.28Å; K39-S41 PolarHBondContact O-N 3.34Å; S41-L43 PolarHBondContact O-N 3.28Å; S41-L43 PolarHBondContact OG-N 3.01Å; S41-L44 PolarHBondContact O-N 2.94Å; S41-L44 VanDerWaalsContact O-N 3.13Å
42	I	92.9	Very high	95.5	Very high	130 Å²	130	54.6 Å²	54.6	67%	0.667	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-59.9	-26.1	172.2	-166.5	70.3	0	0	0	111.8	L44 Q45	I42-L44 PolarHBondContact O-N 3.32Å; I42-Q45 HydrophobicContact CD1-CG 4.01Å; I42-Q45 WeakPolarHBondContact O-CB 3.33Å; I42-Q45 WeakPolarHBondContact O-CG 3.38Å; I42-Q45 PolarHBondContact O-N 2.71Å; I42-Q45 VanDerWaalsContact O-N 3.11Å
43	L	95	Very high	95.5	Very high	18 Å²	18	57.3 Å²	57.3	9%	0.094	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-70.1	-14.9	179.9	-57.8	-178.5	0	0	0	113.3	S41 R85 F86 V87 W98	S41-L43 PolarHBondContact O-N 3.28Å; S41-L43 PolarHBondContact OG-N 3.01Å; L43-R85 HydrophobicContact CD2-CB 4.11Å; L43-R85 HydrophobicContact CD2-CG 4.02Å; L43-R85 WeakPolarHBondContact CD2-O 3.48Å; L43-F86 CarbonylContact O-C 3.58Å; L43-F86 WeakPolarHBondContact O-CA 3.49Å; L43-V87 HydrophobicContact CB-CG2 3.89Å; L43-V87 PolarHBondContact O-N 2.86Å; L43-V87 VanDerWaalsContact O-N 3.17Å; L43-W98 HydrophobicContact CD1-CZ3 3.88Å
44	L	95.3	Very high	95.5	Very high	5 Å²	5	58.7 Å²	58.7	3%	0.026	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-79	-21.2	172	-77.8	-179.8	0	0	0	113	I34 C35 N38 S41 I42 I47 L48 V87	I34-L44 HydrophobicContact CG2-CD2 4.42Å; C35-L44 WeakPolarHBondContact O-CD1 3.43Å; N38-L44 VanDerWaalsContact C-CD1 3.41Å; N38-L44 HydrophobicContact CB-CD1 3.73Å; N38-L44 HydrophobicContact CB-CD2 3.95Å; N38-L44 HydrophobicContact CB-CG 3.67Å; N38-L44 WeakPolarHBondContact O-CD1 3.32Å; S41-L44 PolarHBondContact O-N 2.94Å; S41-L44 VanDerWaalsContact O-N 3.13Å; I42-L44 PolarHBondContact O-N 3.32Å; L44-I47 PolarHBondContact O-N 2.91Å; L44-I47 VanDerWaalsContact O-N 3.08Å; L44-L48 HydrophobicContact CB-CD1 4.14Å; L44-L48 HydrophobicContact CB-CG 4.32Å; L44-L48 WeakPolarHBondContact O-CG 3.4Å; L44-L48 PolarHBondContact O-N 2.98Å; L44-V87 HydrophobicContact CD2-CG2 3.65Å; L44-V87 HydrophobicContact CG-CG2 4.08Å
45	Q	95.4	Very high	95.5	Very high	113 Å²	113	58.4 Å²	58.4	53%	0.528	32%	0.318	S	S	.	.	H	α-helix	trans	-56.4	-44.7	-172.3	-68.8	-66.6	-30.8	0	0	113.8	I42 I47 L48 K49	I42-Q45 HydrophobicContact CD1-CG 4.01Å; I42-Q45 WeakPolarHBondContact O-CB 3.33Å; I42-Q45 WeakPolarHBondContact O-CG 3.38Å; I42-Q45 PolarHBondContact O-N 2.71Å; I42-Q45 VanDerWaalsContact O-N 3.11Å; Q45-I47 VanDerWaalsContact C-N 3.33Å; Q45-I47 PolarHBondContact O-N 3.26Å; Q45-L48 PolarHBondContact O-N 3.16Å; Q45-K49 WeakPolarHBondContact O-CB 3.42Å; Q45-K49 PolarHBondContact O-N 2.81Å
46	P	96.4	Very high	95.5	Very high	10 Å²	10	59.2 Å²	59.2	7%	0.065	32%	0.324	C	S	.	.	H	α-helix	trans	-63.3	-40	177.3	-21.3	33.8	0	0	0	112.5	K49 E50 W58 F86	P46-K49 PolarHBondContact O-N 3.15Å; P46-E50 PolarHBondContact O-N 3.41Å; P46-W58 HydrophobicContact CB-CH2 4.02Å; P46-F86 HydrophobicContact CB-CB 4.15Å; P46-F86 HydrophobicContact CG-CB 4.16Å
47	I	96.4	Very high	95.5	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-65.3	-49	179.4	-64.3	173.1	0	0	0	109.9	L31 L44 Q45 K49 E50 A51 W58 F86 V87 W106	L31-I47 HydrophobicContact CD1-CG2 3.64Å; L44-I47 PolarHBondContact O-N 2.91Å; L44-I47 VanDerWaalsContact O-N 3.08Å; Q45-I47 VanDerWaalsContact C-N 3.33Å; Q45-I47 PolarHBondContact O-N 3.26Å; I47-K49 VanDerWaalsContact C-N 3.27Å; I47-K49 PolarHBondContact O-N 2.8Å; I47-E50 CarbonylContact O-C 3.57Å; I47-E50 PolarHBondContact O-N 3.05Å; I47-E50 VanDerWaalsContact O-N 3.11Å; I47-A51 PolarHBondContact O-N 3.01Å; I47-W58 HydrophobicContact CG1-CZ3 4.42Å; I47-F86 HydrophobicContact CD1-CB 4.24Å; I47-F86 HydrophobicContact CG1-CB 4.05Å; I47-V87 HydrophobicContact CD1-CB 4.15Å; I47-V87 HydrophobicContact CD1-CG2 4.25Å; I47-W106 HydrophobicContact CD1-CZ2 4.2Å
48	L	96.2	Very high	95.6	Very high	46 Å²	46	53.6 Å²	53.6	24%	0.241	29%	0.285	C	S	.	.	H	α-helix	trans	-63	-33.2	-179.8	-67.2	177.7	0	0	0	112.7	P17 L44 Q45 E50 A51	P17-L48 HydrophobicContact CB-CD2 4Å; P17-L48 HydrophobicContact CG-CD1 4.34Å; P17-L48 HydrophobicContact CG-CD2 3.97Å; L44-L48 HydrophobicContact CB-CD1 4.14Å; L44-L48 HydrophobicContact CB-CG 4.32Å; L44-L48 WeakPolarHBondContact O-CG 3.4Å; L44-L48 PolarHBondContact O-N 2.98Å; Q45-L48 PolarHBondContact O-N 3.16Å; L48-E50 VanDerWaalsContact C-N 3.29Å; L48-E50 PolarHBondContact O-N 3.5Å; L48-A51 WeakPolarHBondContact O-CB 3.5Å; L48-A51 PolarHBondContact O-N 3.25Å
49	K	96.1	Very high	95.8	Very high	143 Å²	143	51.7 Å²	51.7	62%	0.622	28%	0.275	S	S	*	.	H	α-helix	trans	-69.3	-28.5	176.9	-173.3	-179.8	176.1	-171.7	0	113	Q45 P46 I47 K53	Q45-K49 WeakPolarHBondContact O-CB 3.42Å; Q45-K49 PolarHBondContact O-N 2.81Å; P46-K49 PolarHBondContact O-N 3.15Å; I47-K49 VanDerWaalsContact C-N 3.27Å; I47-K49 PolarHBondContact O-N 2.8Å; K49-K53 PolarHBondContact O-NZ 3.29Å
50	E	96.5	Very high	95.9	Very high	30 Å²	30	46.4 Å²	46.4	14%	0.14	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	12.6	176.6	-58.4	-51.8	148	0	0	113.1	P46 I47 L48 G52 K53 I55 W58	P46-E50 PolarHBondContact O-N 3.41Å; I47-E50 CarbonylContact O-C 3.57Å; I47-E50 PolarHBondContact O-N 3.05Å; I47-E50 VanDerWaalsContact O-N 3.11Å; L48-E50 VanDerWaalsContact C-N 3.29Å; L48-E50 PolarHBondContact O-N 3.5Å; E50-G52 PolarHBondContact O-N 2.98Å; E50-K53 WeakPolarHBondContact O-CB 3.34Å; E50-K53 PolarHBondContact O-N 3.11Å; E50-K53 VanDerWaalsContact O-N 3.12Å; E50-K53 IonicContact OE1-NZ 3.67Å; E50-K53 WeakPolarHBondContact OE2-CD 3.31Å; E50-K53 IonicContact OE2-NZ 3.11Å; E50-K53 PolarHBondContact OE2-NZ 2.96Å; E50-I55 HydrophobicContact CB-CG2 3.53Å; E50-I55 HydrophobicContact CG-CG2 4.16Å; E50-W58 HydrophobicContact CB-CH2 4.4Å; E50-W58 HydrophobicContact CB-CZ2 4.22Å; E50-W58 HydrophobicContact CG-CH2 4.16Å; E50-W58 HydrophobicContact CG-CZ2 3.57Å
51	A	97.1	Very high	96.1	Very high	7 Å²	7	49.7 Å²	49.7	6%	0.058	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	136.2	173.5	0	0	0	0	0	110.2	N15 I47 L48 K53	N15-A51 HydrophobicContact CB-CB 4.4Å; I47-A51 PolarHBondContact O-N 3.01Å; L48-A51 WeakPolarHBondContact O-CB 3.5Å; L48-A51 PolarHBondContact O-N 3.25Å; A51-K53 VanDerWaalsContact C-N 3.33Å
52	G	97.5	Very high	96.1	Very high	5 Å²	5	57.5 Å²	57.5	5%	0.052	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	12.5	-175	0	0	0	0	0	115.1	V11 L12 W21 E50	V11-G52 WeakPolarHBondContact O-CA 3.39Å; L12-G52 WeakPolarHBondContact CA-O 3.25Å; W21-G52 WeakPolarHBondContact O-CA 3.46Å; W21-G52 PolarHBondContact O-N 2.69Å; E50-G52 PolarHBondContact O-N 2.98Å
53	K	97.6	Very high	96.2	Very high	89 Å²	89	56 Å²	56	39%	0.387	27%	0.273	S	S	.	.	S	Bend	trans	-126.6	169.5	-176.9	-54.2	-168.8	-138.4	139.1	0	113.6	S23 K49 E50 A51	S23-K53 PolarHBondContact N-O 3.11Å; K49-K53 PolarHBondContact O-NZ 3.29Å; E50-K53 WeakPolarHBondContact O-CB 3.34Å; E50-K53 PolarHBondContact O-N 3.11Å; E50-K53 VanDerWaalsContact O-N 3.12Å; E50-K53 IonicContact OE1-NZ 3.67Å; E50-K53 WeakPolarHBondContact OE2-CD 3.31Å; E50-K53 IonicContact OE2-NZ 3.11Å; E50-K53 PolarHBondContact OE2-NZ 2.96Å; A51-K53 VanDerWaalsContact C-N 3.33Å
54	D	97.2	Very high	96.1	Very high	79 Å²	79	56.2 Å²	56.2	42%	0.422	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-84.1	114.3	172.4	-172.4	1.3	0	0	0	112	S23 S56	S23-D54 CarbonylContact O-C 3.58Å; S23-D54 VanDerWaalsContact O-CA 3.3Å; S23-D54 WeakPolarHBondContact O-CA 3.49Å; S23-D54 VanDerWaalsContact OG-CA 3.29Å; S23-D54 WeakPolarHBondContact OG-CA 3.32Å; S23-D54 WeakPolarHBondContact OG-CB 3.46Å; D54-S56 WeakPolarHBondContact OD1-CB 3.4Å; D54-S56 PolarHBondContact OD1-N 3.01Å; D54-S56 PolarHBondContact OD1-OG 2.9Å; D54-S56 PolarHBondContact OD2-OG 3.34Å
55	I	97.2	Very high	96.1	Very high	1 Å²	1	58 Å²	58	1%	0.005	29%	0.29	C	S	.	.			trans	-103.9	17.5	178.7	64.7	174.5	0	0	0	112.7	V22 S23 F24 E50 H57 W58 F59 W106	V22-I55 HydrophobicContact CB-CD1 3.95Å; V22-I55 HydrophobicContact CB-CG1 4.23Å; V22-I55 HydrophobicContact CG1-CD1 4.27Å; V22-I55 HydrophobicContact CG2-CD1 3.72Å; V22-I55 HydrophobicContact CG2-CG1 4.32Å; S23-I55 PolarHBondContact O-N 3.01Å; F24-I55 HydrophobicContact CB-CG1 3.88Å; F24-I55 HydrophobicContact CD1-CD1 4.21Å; F24-I55 HydrophobicContact CD1-CG1 4.1Å; F24-I55 HydrophobicContact CG-CG1 4.34Å; E50-I55 HydrophobicContact CB-CG2 3.53Å; E50-I55 HydrophobicContact CG-CG2 4.16Å; I55-H57 PolarHBondContact O-N 3.34Å; I55-W58 HydrophobicContact CB-CD2 4.04Å; I55-W58 HydrophobicContact CB-CE3 4.28Å; I55-W58 HydrophobicContact CB-CG 4.28Å; I55-W58 HydrophobicContact CD1-CE3 4.02Å; I55-W58 HydrophobicContact CD1-CZ3 4.17Å; I55-W58 HydrophobicContact CG2-CD2 4.46Å; I55-W58 HydrophobicContact CG2-CZ2 4.33Å; I55-W58 WeakPolarHBondContact O-CB 3.29Å; I55-W58 PolarHBondContact O-N 3.4Å; I55-F59 HydrophobicContact CD1-CE2 3.97Å; I55-F59 HydrophobicContact CG1-CE2 4.04Å; I55-F59 WeakPolarHBondContact O-CD2 3.41Å; I55-W106 HydrophobicContact CD1-CH2 3.82Å
56	S	96.9	Very high	96.2	Very high	23 Å²	23	52.7 Å²	52.7	16%	0.161	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-49.4	-32.9	176.5	-64.8	0	0	0	0	113.3	F24 L25 D54 W58 F59	F24-S56 WeakPolarHBondContact CA-OG 3.38Å; L25-S56 PolarHBondContact N-OG 3.41Å; D54-S56 WeakPolarHBondContact OD1-CB 3.4Å; D54-S56 PolarHBondContact OD1-N 3.01Å; D54-S56 PolarHBondContact OD1-OG 2.9Å; D54-S56 PolarHBondContact OD2-OG 3.34Å; S56-W58 PolarHBondContact O-N 3.35Å; S56-W58 VanDerWaalsContact O-N 3.14Å; S56-F59 PolarHBondContact O-N 2.98Å
57	H	95.7	Very high	96.2	Very high	78 Å²	78	56.8 Å²	56.8	36%	0.361	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-64.7	-14.2	178.5	69.4	-79.8	0	0	0	114.6	I55 R67 Y83	I55-H57 PolarHBondContact O-N 3.34Å; H57-R67 WeakPolarHBondContact O-CD 3.16Å; H57-R67 VanDerWaalsContact O-CZ 3.24Å; H57-R67 PolarHBondContact O-NE 3.2Å; H57-R67 PolarHBondContact O-NH1 3.14Å; H57-Y83 AromaticContact NE2-CE2 3.68Å
58	W	96.9	Very high	96.2	Very high	14 Å²	14	59.8 Å²	59.8	5%	0.053	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-79.4	-22.1	173.3	-65.5	7	0	0	0	112.5	P46 I47 E50 I55 S56 R67 Y83 F86	P46-W58 HydrophobicContact CB-CH2 4.02Å; I47-W58 HydrophobicContact CG1-CZ3 4.42Å; E50-W58 HydrophobicContact CB-CH2 4.4Å; E50-W58 HydrophobicContact CB-CZ2 4.22Å; E50-W58 HydrophobicContact CG-CH2 4.16Å; E50-W58 HydrophobicContact CG-CZ2 3.57Å; I55-W58 HydrophobicContact CB-CD2 4.04Å; I55-W58 HydrophobicContact CB-CE3 4.28Å; I55-W58 HydrophobicContact CB-CG 4.28Å; I55-W58 HydrophobicContact CD1-CE3 4.02Å; I55-W58 HydrophobicContact CD1-CZ3 4.17Å; I55-W58 HydrophobicContact CG2-CD2 4.46Å; I55-W58 HydrophobicContact CG2-CZ2 4.33Å; I55-W58 WeakPolarHBondContact O-CB 3.29Å; I55-W58 PolarHBondContact O-N 3.4Å; S56-W58 PolarHBondContact O-N 3.35Å; S56-W58 VanDerWaalsContact O-N 3.14Å; W58-R67 PolarHBondContact O-N 2.95Å; W58-Y83 AromaticContact NE1-CD2 3.83Å; W58-F86 HydrophobicContact CD2-CE1 4.33Å; W58-F86 HydrophobicContact CE3-CD1 4.06Å; W58-F86 AromaticContact CE3-CE1 3.68Å; W58-F86 HydrophobicContact CE3-CE1 3.68Å; W58-F86 AromaticContact CE3-CZ 3.95Å; W58-F86 HydrophobicContact CE3-CZ 3.95Å; W58-F86 AromaticContact CZ3-CD1 3.87Å; W58-F86 HydrophobicContact CZ3-CD1 3.87Å; W58-F86 AromaticContact CZ3-CE1 3.99Å; W58-F86 HydrophobicContact CZ3-CE1 3.99Å; W58-F86 HydrophobicContact CZ3-CG 4.2Å; W58-F86 HydrophobicContact CZ3-CZ 4.42Å
59	F	97.2	Very high	96.1	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-111.2	150.2	-170.1	-59.4	-84.6	0	0	0	111.7	F24 L25 I55 S56 D65 V66 R67 W106 W107	F24-F59 HydrophobicContact CB-CD2 4.05Å; F24-F59 HydrophobicContact CB-CE2 4.25Å; F24-F59 HydrophobicContact CD1-CE2 4.25Å; F24-F59 AromaticContact CD2-CD2 3.81Å; F24-F59 HydrophobicContact CD2-CD2 3.81Å; F24-F59 AromaticContact CD2-CE2 3.98Å; F24-F59 HydrophobicContact CD2-CE2 3.98Å; F24-F59 HydrophobicContact CD2-CG 4.2Å; F24-F59 HydrophobicContact CE2-CD2 4.45Å; F24-F59 HydrophobicContact CE2-CE2 4.37Å; F24-F59 HydrophobicContact CE2-CZ 4.46Å; F24-F59 AromaticContact CG-CD2 3.97Å; F24-F59 HydrophobicContact CG-CD2 3.97Å; F24-F59 AromaticContact CG-CE2 3.91Å; F24-F59 HydrophobicContact CG-CE2 3.91Å; L25-F59 HydrophobicContact CD1-CB 4.02Å; L25-F59 HydrophobicContact CG-CB 4.38Å; I55-F59 HydrophobicContact CD1-CE2 3.97Å; I55-F59 HydrophobicContact CG1-CE2 4.04Å; I55-F59 WeakPolarHBondContact O-CD2 3.41Å; S56-F59 PolarHBondContact O-N 2.98Å; F59-D65 CarbonylContact C-O 3.55Å; F59-D65 WeakPolarHBondContact CA-O 3.4Å; F59-V66 HydrophobicContact CD1-CG2 3.87Å; F59-V66 HydrophobicContact CE1-CG2 3.48Å; F59-V66 VanDerWaalsContact CE1-CG2 3.48Å; F59-V66 HydrophobicContact CZ-CG2 4.33Å; F59-R67 VanDerWaalsContact C-CG 3.5Å; F59-R67 PolarHBondContact O-NE 2.7Å; F59-R67 PolarHBondContact O-NH2 3.12Å; F59-W106 HydrophobicContact CE2-CH2 4.35Å; F59-W106 AromaticContact CZ-CH2 3.74Å; F59-W106 HydrophobicContact CZ-CH2 3.74Å; F59-W106 HydrophobicContact CZ-CZ2 4.23Å; F59-W106 HydrophobicContact CZ-CZ3 4.43Å; F59-W107 HydrophobicContact CD1-CB 4.42Å; F59-W107 HydrophobicContact CD1-CG 4.4Å; F59-W107 HydrophobicContact CE1-CB 3.44Å; F59-W107 VanDerWaalsContact CE1-CB 3.44Å; F59-W107 AromaticContact CE1-CD1 3.8Å; F59-W107 HydrophobicContact CE1-CD2 4.04Å; F59-W107 AromaticContact CE1-CG 3.5Å; F59-W107 HydrophobicContact CE1-CG 3.5Å; F59-W107 HydrophobicContact CZ-CB 3.76Å; F59-W107 HydrophobicContact CZ-CG 4.22Å
60	D	96	Very high	96.1	Very high	60 Å²	60	59.2 Å²	59.2	32%	0.321	29%	0.294	S	S	.	.			trans	-83.9	120.7	170.1	179.1	-68.3	0	0	0	108.7	K62 T63 G64 D65 R67	D60-K62 PolarHBondContact O-N 2.8Å; D60-K62 VanDerWaalsContact O-N 3.16Å; D60-K62 WeakPolarHBondContact OD1-CA 3.32Å; D60-K62 WeakPolarHBondContact OD1-CB 3.41Å; D60-K62 PolarHBondContact OD1-N 3.46Å; D60-T63 WeakPolarHBondContact CB-OG1 3.35Å; D60-T63 PolarHBondContact O-N 2.8Å; D60-T63 PolarHBondContact OD1-N 2.9Å; D60-G64 WeakPolarHBondContact O-CA 3.46Å; D60-G64 PolarHBondContact O-N 3.31Å; D60-D65 PolarHBondContact N-O 2.91Å; D60-R67 HydrophobicContact CB-CG 4.27Å
61	E	94.6	Very high	95.9	Very high	153 Å²	153	58.8 Å²	58.8	72%	0.715	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-25.7	-175.1	-66.9	175.3	-174.9	0	0	113.7	L25	L25-E61 HydrophobicContact CD2-CB 4.25Å; L25-E61 HydrophobicContact CD2-CG 3.74Å
62	K	94.1	Very high	95.7	Very high	202 Å²	202	64 Å²	64	88%	0.878	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-38.1	-177.8	-62.2	179.9	179.9	176.6	0	111.9	D60	D60-K62 PolarHBondContact O-N 2.8Å; D60-K62 VanDerWaalsContact O-N 3.16Å; D60-K62 WeakPolarHBondContact OD1-CA 3.32Å; D60-K62 WeakPolarHBondContact OD1-CB 3.41Å; D60-K62 PolarHBondContact OD1-N 3.46Å
63	T	94.3	Very high	95.5	Very high	98 Å²	98	69.7 Å²	69.7	60%	0.601	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-22.7	-175.4	66.7	0	0	0	0	113.1	D60 D65	D60-T63 WeakPolarHBondContact CB-OG1 3.35Å; D60-T63 PolarHBondContact O-N 2.8Å; D60-T63 PolarHBondContact OD1-N 2.9Å; T63-D65 PolarHBondContact O-N 2.93Å; T63-D65 PolarHBondContact OG1-N 3.11Å; T63-D65 VanDerWaalsContact OG1-N 3.16Å
64	G	93.7	Very high	95.2	Very high	24 Å²	24	67.6 Å²	67.6	25%	0.247	35%	0.354	C	S	.	.	S	Bend	trans	67.7	4.7	-169.3	0	0	0	0	0	113.5	D60	D60-G64 WeakPolarHBondContact O-CA 3.46Å; D60-G64 PolarHBondContact O-N 3.31Å
65	D	95.3	Very high	94.9	Very high	41 Å²	41	70 Å²	70	22%	0.219	37%	0.367	C	S	.	.	S	Bend	trans	-95.2	166	176.5	-144.4	-18.6	0	0	0	110.9	F59 D60 T63 W107 K108	F59-D65 CarbonylContact C-O 3.55Å; F59-D65 WeakPolarHBondContact CA-O 3.4Å; D60-D65 PolarHBondContact N-O 2.91Å; T63-D65 PolarHBondContact O-N 2.93Å; T63-D65 PolarHBondContact OG1-N 3.11Å; T63-D65 VanDerWaalsContact OG1-N 3.16Å; D65-W107 PolarHBondContact OD1-NE1 2.84Å; D65-K108 IonicContact OD1-NZ 3.82Å; D65-K108 WeakPolarHBondContact OD2-CE 3.4Å; D65-K108 IonicContact OD2-NZ 3.24Å; D65-K108 PolarHBondContact OD2-NZ 3.24Å
66	V	96.3	Very high	94.7	Very high	2 Å²	2	73.1 Å²	73.1	1%	0.012	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-59.4	142.3	175.8	179.6	0	0	0	0	108.9	F59 H68 P79 F86 I89 W107	F59-V66 HydrophobicContact CD1-CG2 3.87Å; F59-V66 HydrophobicContact CE1-CG2 3.48Å; F59-V66 VanDerWaalsContact CE1-CG2 3.48Å; F59-V66 HydrophobicContact CZ-CG2 4.33Å; V66-H68 PolarHBondContact O-CE1 2.82Å; V66-H68 PolarHBondContact O-ND1 2.84Å; V66-P79 HydrophobicContact CG1-CB 4.3Å; V66-F86 HydrophobicContact CG1-CZ 4.05Å; V66-F86 HydrophobicContact CG2-CE2 4.17Å; V66-F86 HydrophobicContact CG2-CZ 3.78Å; V66-I89 HydrophobicContact CB-CD1 4.3Å; V66-I89 HydrophobicContact CG1-CD1 4.19Å; V66-I89 HydrophobicContact CG2-CD1 3.89Å; V66-W107 HydrophobicContact CG2-CD2 4.03Å; V66-W107 HydrophobicContact CG2-CE3 4.38Å; V66-W107 HydrophobicContact CG2-CH2 4.26Å; V66-W107 HydrophobicContact CG2-CZ2 3.85Å; V66-W107 HydrophobicContact CG2-CZ3 4.49Å
67	R	96.9	Very high	94.6	Very high	96 Å²	96	80 Å²	80	36%	0.362	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-59.4	147.9	175.5	-68.8	179.3	-177.4	-174.7	-1.9	109.6	H57 W58 F59 D60 Y80	H57-R67 WeakPolarHBondContact O-CD 3.16Å; H57-R67 VanDerWaalsContact O-CZ 3.24Å; H57-R67 PolarHBondContact O-NE 3.2Å; H57-R67 PolarHBondContact O-NH1 3.14Å; W58-R67 PolarHBondContact O-N 2.95Å; F59-R67 VanDerWaalsContact C-CG 3.5Å; F59-R67 PolarHBondContact O-NE 2.7Å; F59-R67 PolarHBondContact O-NH2 3.12Å; D60-R67 HydrophobicContact CB-CG 4.27Å; R67-Y80 WeakPolarHBondContact O-CB 3.22Å; R67-Y80 PolarHBondContact O-N 3.44Å
68	H	96.1	Very high	94.5	Very high	65 Å²	65	77.4 Å²	77.4	30%	0.301	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	156	178.5	-73	71.8	0	0	0	110.4	V66 Y77 V78	V66-H68 PolarHBondContact O-CE1 2.82Å; V66-H68 PolarHBondContact O-ND1 2.84Å; H68-Y77 HydrophobicContact CB-CD1 4.14Å; H68-Y77 HydrophobicContact CB-CD2 4.16Å; H68-Y77 HydrophobicContact CB-CE1 3.51Å; H68-Y77 HydrophobicContact CB-CE2 3.53Å; H68-Y77 HydrophobicContact CB-CG 4.45Å; H68-Y77 WeakPolarHBondContact CB-OH 3.4Å; H68-Y77 AromaticContact CD2-CD1 3.76Å; H68-Y77 AromaticContact CD2-CE1 3.51Å; H68-Y77 AromaticContact CG-CE1 3.51Å; H68-Y77 AromaticContact CG-CZ 3.72Å; H68-V78 CarbonylContact C-O 2.96Å; H68-V78 VanDerWaalsContact CA-O 3.25Å; H68-V78 WeakPolarHBondContact CA-O 3.38Å; H68-V78 WeakPolarHBondContact CB-O 3.44Å
69	H	94.9	Very high	94.5	Very high	71 Å²	71	78 Å²	78	33%	0.329	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	165.2	173.1	75.3	-56.8	0	0	0	110.2	V78 Y80	H69-V78 PolarHBondContact N-O 2.91Å; H69-V78 PolarHBondContact ND1-O 3.44Å; H69-V78 PolarHBondContact O-N 2.76Å; H69-Y80 HydrophobicContact CB-CD2 4.31Å; H69-Y80 AromaticContact CG-CD2 3.94Å; H69-Y80 AromaticContact ND1-CD2 3.81Å
70	I	96	Very high	94.4	Very high	105 Å²	105	83.3 Å²	83.3	54%	0.538	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	118.7	168.7	-59.1	177.6	0	0	0	107.1	N75 C76	I70-N75 WeakPolarHBondContact CG2-OD1 3.34Å; I70-C76 WeakPolarHBondContact CA-O 3.32Å
71	D	92.6	Very high	94.3	Very high	22 Å²	22	82.3 Å²	82.3	12%	0.118	42%	0.424	C	S	.	.			trans	-64.5	123.4	174.6	171.9	-1.8	0	0	0	109.3	V73 T74 N75 C76 V78	D71-V73 PolarHBondContact O-N 3.47Å; D71-V73 PolarHBondContact OD1-N 2.95Å; D71-T74 VanDerWaalsContact CB-OG1 3.28Å; D71-T74 WeakPolarHBondContact CB-OG1 3.46Å; D71-T74 WeakPolarHBondContact OD2-CB 3.26Å; D71-T74 VanDerWaalsContact OD2-CG2 3.3Å; D71-T74 WeakPolarHBondContact OD2-CG2 3.39Å; D71-T74 PolarHBondContact OD2-OG1 3.27Å; D71-N75 WeakPolarHBondContact O-CA 3.46Å; D71-N75 PolarHBondContact O-N 3.14Å; D71-C76 PolarHBondContact N-O 3.21Å; D71-V78 HydrophobicContact CB-CG2 3.92Å
72	P	93.2	Very high	94.2	Very high	117 Å²	117	78.2 Å²	78.2	76%	0.76	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.7	-177.5	27.4	-36.4	0	0	0	114
73	V	92	Very high	94	Very high	123 Å²	123	75.1 Å²	75.1	75%	0.745	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-52.2	-179.1	-177.2	0	0	0	0	110.8	D71	D71-V73 PolarHBondContact O-N 3.47Å; D71-V73 PolarHBondContact OD1-N 2.95Å
74	T	91.1	Very high	94	Very high	45 Å²	45	72 Å²	72	28%	0.276	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-12.6	-176.1	63.5	0	0	0	0	113.5	D71 C76 Y93	D71-T74 VanDerWaalsContact CB-OG1 3.28Å; D71-T74 WeakPolarHBondContact CB-OG1 3.46Å; D71-T74 WeakPolarHBondContact OD2-CB 3.26Å; D71-T74 VanDerWaalsContact OD2-CG2 3.3Å; D71-T74 WeakPolarHBondContact OD2-CG2 3.39Å; D71-T74 PolarHBondContact OD2-OG1 3.27Å; T74-C76 PolarHBondContact O-N 2.91Å; T74-C76 VanDerWaalsContact O-N 3.11Å; T74-C76 PolarHBondContact O-SG 3.34Å; T74-C76 VanDerWaalsContact O-SG 3.35Å; T74-C76 WeakPolarHBondContact OG1-CB 3.08Å; T74-C76 PolarHBondContact OG1-N 2.91Å; T74-Y93 HydrophobicContact CG2-CE1 3.67Å
75	N	92.6	Very high	94	Very high	131 Å²	131	74.3 Å²	74.3	70%	0.701	38%	0.383	S	S	*	.			trans	53.8	23.6	-172.4	-158.5	42.2	0	0	0	113.4	I70 D71	I70-N75 WeakPolarHBondContact CG2-OD1 3.34Å; D71-N75 WeakPolarHBondContact O-CA 3.46Å; D71-N75 PolarHBondContact O-N 3.14Å
76	C	92.9	Very high	94.1	Very high	66 Å²	66	72.6 Å²	72.6	45%	0.446	37%	0.373	S	S	.	.			trans	-95.5	148.1	-180	-69.1	0	0	0	0	110.5	I70 D71 T74 V78	I70-C76 WeakPolarHBondContact CA-O 3.32Å; D71-C76 PolarHBondContact N-O 3.21Å; T74-C76 PolarHBondContact O-N 2.91Å; T74-C76 VanDerWaalsContact O-N 3.11Å; T74-C76 PolarHBondContact O-SG 3.34Å; T74-C76 VanDerWaalsContact O-SG 3.35Å; T74-C76 WeakPolarHBondContact OG1-CB 3.08Å; T74-C76 PolarHBondContact OG1-N 2.91Å; C76-V78 HydrophobicContact CB-CG1 4.02Å; C76-V78 PolarHBondContact O-N 2.83Å
77	Y	93.8	Very high	94.1	Very high	168 Å²	168	72.5 Å²	72.5	66%	0.659	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.6	107.9	173.7	-174	-105.4	0	0	0	109.5	H68	H68-Y77 HydrophobicContact CB-CD1 4.14Å; H68-Y77 HydrophobicContact CB-CD2 4.16Å; H68-Y77 HydrophobicContact CB-CE1 3.51Å; H68-Y77 HydrophobicContact CB-CE2 3.53Å; H68-Y77 HydrophobicContact CB-CG 4.45Å; H68-Y77 WeakPolarHBondContact CB-OH 3.4Å; H68-Y77 AromaticContact CD2-CD1 3.76Å; H68-Y77 AromaticContact CD2-CE1 3.51Å; H68-Y77 AromaticContact CG-CE1 3.51Å; H68-Y77 AromaticContact CG-CZ 3.72Å
78	V	94.2	Very high	94	Very high	22 Å²	22	69.1 Å²	69.1	13%	0.133	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.9	-170.5	-61.2	0	0	0	0	112	H68 H69 D71 C76 Y80	H68-V78 CarbonylContact C-O 2.96Å; H68-V78 VanDerWaalsContact CA-O 3.25Å; H68-V78 WeakPolarHBondContact CA-O 3.38Å; H68-V78 WeakPolarHBondContact CB-O 3.44Å; H69-V78 PolarHBondContact N-O 2.91Å; H69-V78 PolarHBondContact ND1-O 3.44Å; H69-V78 PolarHBondContact O-N 2.76Å; D71-V78 HydrophobicContact CB-CG2 3.92Å; C76-V78 HydrophobicContact CB-CG1 4.02Å; C76-V78 PolarHBondContact O-N 2.83Å; V78-Y80 PolarHBondContact O-N 3.25Å
79	P	95.9	Very high	94	Very high	27 Å²	27	66.2 Å²	66.2	18%	0.175	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	136.2	174.2	-26.1	35.5	0	0	0	112.1	V66 T81 I89	V66-P79 HydrophobicContact CG1-CB 4.3Å; P79-T81 HydrophobicContact CB-CG2 4.28Å; P79-T81 PolarHBondContact O-N 3.01Å; P79-I89 HydrophobicContact CB-CD1 4.26Å; P79-I89 HydrophobicContact CB-CG2 3.94Å; P79-I89 HydrophobicContact CG-CG2 4.04Å
80	Y	95.6	Very high	93.9	Very high	112 Å²	112	65.8 Å²	65.8	44%	0.439	35%	0.351	S	S	.	.			trans	-88	94.4	178	-178.4	-110.6	0	0	0	109.7	R67 H69 V78 P82	R67-Y80 WeakPolarHBondContact O-CB 3.22Å; R67-Y80 PolarHBondContact O-N 3.44Å; H69-Y80 HydrophobicContact CB-CD2 4.31Å; H69-Y80 AromaticContact CG-CD2 3.94Å; H69-Y80 AromaticContact ND1-CD2 3.81Å; V78-Y80 PolarHBondContact O-N 3.25Å; Y80-P82 VanDerWaalsContact C-CD 3.49Å; Y80-P82 HydrophobicContact CD1-CG 4.24Å; Y80-P82 HydrophobicContact CE1-CB 4.39Å; Y80-P82 HydrophobicContact CE1-CG 3.65Å; Y80-P82 HydrophobicContact CE2-CB 4.43Å; Y80-P82 HydrophobicContact CE2-CG 4.48Å; Y80-P82 WeakPolarHBondContact O-CD 3.41Å
81	T	94.9	Very high	93.8	Very high	39 Å²	39	62.1 Å²	62.1	24%	0.239	33%	0.334	C	S	.	.			trans	-119.9	71.3	-178.6	60.5	0	0	0	0	111.5	P79 Y83 G84 F86 I89	P79-T81 HydrophobicContact CB-CG2 4.28Å; P79-T81 PolarHBondContact O-N 3.01Å; T81-Y83 PolarHBondContact O-N 2.85Å; T81-G84 WeakPolarHBondContact CB-O 3.44Å; T81-G84 PolarHBondContact O-N 3.3Å; T81-G84 VanDerWaalsContact O-N 3.16Å; T81-F86 HydrophobicContact CG2-CD1 4.12Å; T81-F86 HydrophobicContact CG2-CE1 3.68Å; T81-F86 HydrophobicContact CG2-CZ 4.42Å; T81-I89 HydrophobicContact CG2-CG1 4.35Å; T81-I89 HydrophobicContact CG2-CG2 4.16Å
82	P	92.7	Very high	93.6	Very high	67 Å²	67	65 Å²	65	44%	0.435	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.7	-174.2	27.6	-36.3	0	0	0	113.5	Y80 G84	Y80-P82 VanDerWaalsContact C-CD 3.49Å; Y80-P82 HydrophobicContact CD1-CG 4.24Å; Y80-P82 HydrophobicContact CE1-CB 4.39Å; Y80-P82 HydrophobicContact CE1-CG 3.65Å; Y80-P82 HydrophobicContact CE2-CB 4.43Å; Y80-P82 HydrophobicContact CE2-CG 4.48Å; Y80-P82 WeakPolarHBondContact O-CD 3.41Å; P82-G84 VanDerWaalsContact C-N 3.35Å
83	Y	89.6	Confident	93.4	Very high	137 Å²	137	65.9 Å²	65.9	54%	0.537	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	6.8	179.7	-51.8	-65.2	0	0	0	113.6	H57 W58 T81	H57-Y83 AromaticContact NE2-CE2 3.68Å; W58-Y83 AromaticContact NE1-CD2 3.83Å; T81-Y83 PolarHBondContact O-N 2.85Å
84	G	93.3	Very high	93.3	Very high	33 Å²	33	66.7 Å²	66.7	34%	0.34	35%	0.351	S	S	.	.			trans	108.9	153.6	-176.9	0	0	0	0	0	113	T81 P82	T81-G84 WeakPolarHBondContact CB-O 3.44Å; T81-G84 PolarHBondContact O-N 3.3Å; T81-G84 VanDerWaalsContact O-N 3.16Å; P82-G84 VanDerWaalsContact C-N 3.35Å
85	R	95.1	Very high	93.3	Very high	72 Å²	72	67.7 Å²	67.7	27%	0.272	36%	0.357	S	S	.	.			trans	-66.3	131.8	177.8	-170.1	172.9	71.2	108.5	-8.6	110	L43 I89 W98	L43-R85 HydrophobicContact CD2-CB 4.11Å; L43-R85 HydrophobicContact CD2-CG 4.02Å; L43-R85 WeakPolarHBondContact CD2-O 3.48Å; R85-I89 WeakPolarHBondContact CD-O 3.21Å; R85-I89 HydrophobicContact CG-CB 3.74Å; R85-I89 HydrophobicContact CG-CG2 3.72Å; R85-I89 PolarHBondContact NH1-O 3.19Å; R85-W98 VanDerWaalsContact NH1-CE3 3.31Å
86	F	96.1	Very high	93.3	Very high	4 Å²	4	68.9 Å²	68.9	2%	0.018	37%	0.369	C	S	.	.			trans	-111.4	173.8	176.8	53.7	-96	0	0	0	112.9	L43 P46 I47 W58 V66 T81 I89 W106 W107	L43-F86 CarbonylContact O-C 3.58Å; L43-F86 WeakPolarHBondContact O-CA 3.49Å; P46-F86 HydrophobicContact CB-CB 4.15Å; P46-F86 HydrophobicContact CG-CB 4.16Å; I47-F86 HydrophobicContact CD1-CB 4.24Å; I47-F86 HydrophobicContact CG1-CB 4.05Å; W58-F86 HydrophobicContact CD2-CE1 4.33Å; W58-F86 HydrophobicContact CE3-CD1 4.06Å; W58-F86 AromaticContact CE3-CE1 3.68Å; W58-F86 HydrophobicContact CE3-CE1 3.68Å; W58-F86 AromaticContact CE3-CZ 3.95Å; W58-F86 HydrophobicContact CE3-CZ 3.95Å; W58-F86 AromaticContact CZ3-CD1 3.87Å; W58-F86 HydrophobicContact CZ3-CD1 3.87Å; W58-F86 AromaticContact CZ3-CE1 3.99Å; W58-F86 HydrophobicContact CZ3-CE1 3.99Å; W58-F86 HydrophobicContact CZ3-CG 4.2Å; W58-F86 HydrophobicContact CZ3-CZ 4.42Å; V66-F86 HydrophobicContact CG1-CZ 4.05Å; V66-F86 HydrophobicContact CG2-CE2 4.17Å; V66-F86 HydrophobicContact CG2-CZ 3.78Å; T81-F86 HydrophobicContact CG2-CD1 4.12Å; T81-F86 HydrophobicContact CG2-CE1 3.68Å; T81-F86 HydrophobicContact CG2-CZ 4.42Å; F86-I89 HydrophobicContact CD1-CG1 4.18Å; F86-I89 HydrophobicContact CD2-CD1 4.21Å; F86-I89 HydrophobicContact CD2-CG1 3.5Å; F86-I89 VanDerWaalsContact CD2-CG1 3.5Å; F86-I89 HydrophobicContact CE1-CD1 4.36Å; F86-I89 HydrophobicContact CE1-CG1 4.06Å; F86-I89 HydrophobicContact CE2-CD1 3.55Å; F86-I89 HydrophobicContact CE2-CG1 3.36Å; F86-I89 HydrophobicContact CG-CG1 3.91Å; F86-I89 HydrophobicContact CZ-CD1 3.63Å; F86-I89 HydrophobicContact CZ-CG1 3.66Å; F86-I89 WeakPolarHBondContact O-CB 3.46Å; F86-I89 PolarHBondContact O-N 2.84Å; F86-I89 VanDerWaalsContact O-N 3.11Å; F86-W106 HydrophobicContact CD2-CZ2 4.03Å; F86-W106 AromaticContact CD2-NE1 3.91Å; F86-W106 AromaticContact CE2-CZ2 3.94Å; F86-W106 HydrophobicContact CE2-CZ2 3.94Å; F86-W107 HydrophobicContact CD2-CZ3 4.24Å; F86-W107 HydrophobicContact CE2-CE3 4.01Å; F86-W107 HydrophobicContact CE2-CH2 4.41Å; F86-W107 AromaticContact CE2-CZ3 3.69Å; F86-W107 HydrophobicContact CE2-CZ3 3.69Å
87	V	95.7	Very high	93.2	Very high	1 Å²	1	72 Å²	72	1%	0.006	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	139.2	-177.5	177.8	0	0	0	0	111.1	I34 N38 L43 L44 I47 I89 W106 W107	I34-V87 HydrophobicContact CG2-CB 4.28Å; I34-V87 HydrophobicContact CG2-CG1 3.94Å; I34-V87 HydrophobicContact CG2-CG2 4.44Å; N38-V87 HydrophobicContact CB-CG2 4.11Å; L43-V87 HydrophobicContact CB-CG2 3.89Å; L43-V87 PolarHBondContact O-N 2.86Å; L43-V87 VanDerWaalsContact O-N 3.17Å; L44-V87 HydrophobicContact CD2-CG2 3.65Å; L44-V87 HydrophobicContact CG-CG2 4.08Å; I47-V87 HydrophobicContact CD1-CB 4.15Å; I47-V87 HydrophobicContact CD1-CG2 4.25Å; V87-I89 PolarHBondContact O-N 3.22Å; V87-W106 PolarHBondContact O-NE1 3.05Å; V87-W107 WeakPolarHBondContact O-CZ3 3.43Å
88	H	95.8	Very high	93.1	Very high	25 Å²	25	66.7 Å²	66.7	12%	0.116	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	-0.3	-175.9	-55.5	161.3	0	0	0	116.6	F102 P105 W106 W107	H88-F102 HydrophobicContact CB-CD2 4.38Å; H88-F102 HydrophobicContact CB-CE2 3.97Å; H88-F102 HydrophobicContact CB-CZ 4.22Å; H88-F102 AromaticContact CD2-CD2 3.77Å; H88-F102 AromaticContact CD2-CG 3.77Å; H88-F102 AromaticContact CG-CD2 3.89Å; H88-F102 AromaticContact CG-CE2 3.99Å; H88-P105 HydrophobicContact CB-CB 3.96Å; H88-W106 AromaticContact ND1-CD1 3.6Å; H88-W106 PolarHBondContact ND1-N 3.35Å; H88-W107 HydrophobicContact CB-CH2 3.98Å; H88-W107 HydrophobicContact CB-CZ3 3.79Å
89	I	95.6	Very high	92.9	Very high	4 Å²	4	68.3 Å²	68.3	2%	0.021	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-82	124.7	170.1	-59.3	-69	0	0	0	110.1	V66 P79 T81 R85 F86 V87 W98 W107	V66-I89 HydrophobicContact CB-CD1 4.3Å; V66-I89 HydrophobicContact CG1-CD1 4.19Å; V66-I89 HydrophobicContact CG2-CD1 3.89Å; P79-I89 HydrophobicContact CB-CD1 4.26Å; P79-I89 HydrophobicContact CB-CG2 3.94Å; P79-I89 HydrophobicContact CG-CG2 4.04Å; T81-I89 HydrophobicContact CG2-CG1 4.35Å; T81-I89 HydrophobicContact CG2-CG2 4.16Å; R85-I89 WeakPolarHBondContact CD-O 3.21Å; R85-I89 HydrophobicContact CG-CB 3.74Å; R85-I89 HydrophobicContact CG-CG2 3.72Å; R85-I89 PolarHBondContact NH1-O 3.19Å; F86-I89 HydrophobicContact CD1-CG1 4.18Å; F86-I89 HydrophobicContact CD2-CD1 4.21Å; F86-I89 HydrophobicContact CD2-CG1 3.5Å; F86-I89 VanDerWaalsContact CD2-CG1 3.5Å; F86-I89 HydrophobicContact CE1-CD1 4.36Å; F86-I89 HydrophobicContact CE1-CG1 4.06Å; F86-I89 HydrophobicContact CE2-CD1 3.55Å; F86-I89 HydrophobicContact CE2-CG1 3.36Å; F86-I89 HydrophobicContact CG-CG1 3.91Å; F86-I89 HydrophobicContact CZ-CD1 3.63Å; F86-I89 HydrophobicContact CZ-CG1 3.66Å; F86-I89 WeakPolarHBondContact O-CB 3.46Å; F86-I89 PolarHBondContact O-N 2.84Å; F86-I89 VanDerWaalsContact O-N 3.11Å; V87-I89 PolarHBondContact O-N 3.22Å; I89-W98 VanDerWaalsContact O-CH2 3.23Å; I89-W98 WeakPolarHBondContact O-CH2 3.47Å; I89-W98 WeakPolarHBondContact O-CZ2 3.23Å; I89-W107 HydrophobicContact CD1-CH2 3.39Å; I89-W107 HydrophobicContact CD1-CZ2 4.05Å; I89-W107 HydrophobicContact CD1-CZ3 3.92Å; I89-W107 HydrophobicContact CG1-CH2 4.09Å; I89-W107 HydrophobicContact CG1-CZ3 4.29Å
90	P	93.4	Very high	92.5	Very high	62 Å²	62	72.4 Å²	72.4	40%	0.403	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-64.7	152	178.9	27.7	-35	0	0	0	112
91	P	93.1	Very high	92.4	Very high	27 Å²	27	73.8 Å²	73.8	18%	0.175	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-64.1	150.1	173.3	29	-35.1	0	0	0	111	Y93 T95 W98	P91-Y93 PolarHBondContact O-N 3.43Å; P91-T95 HydrophobicContact CB-CG2 4.01Å; P91-T95 HydrophobicContact CG-CG2 4.11Å; P91-W98 VanDerWaalsContact CD-CG 3.43Å; P91-W98 HydrophobicContact CG-CB 3.95Å; P91-W98 HydrophobicContact CG-CG 4.02Å
92	P	88.5	Confident	92.1	Very high	83 Å²	83	75.5 Å²	75.5	54%	0.539	42%	0.42	S	S	.	.	S	Bend	trans	-70.3	-17.2	-179.6	27.4	-34	0	0	0	113.5
93	Y	89	Confident	92	Very high	136 Å²	136	75.2 Å²	75.2	53%	0.533	43%	0.429	S	S	.	.	S	Bend	trans	-126.5	157	178.9	-54.6	-73.5	0	0	0	109.9	T74 P91 T95	T74-Y93 HydrophobicContact CG2-CE1 3.67Å; P91-Y93 PolarHBondContact O-N 3.43Å; Y93-T95 WeakPolarHBondContact O-CG2 3.38Å; Y93-T95 PolarHBondContact O-N 3.14Å
94	P	90.2	Very high	92.2	Very high	139 Å²	139	72.8 Å²	72.8	90%	0.903	42%	0.424	S	S	*	.			trans	-58.2	125.9	173.8	-22.3	33.2	0	0	0	111.2
95	T	91.7	Very high	92.4	Very high	66 Å²	66	72.2 Å²	72.2	41%	0.405	42%	0.415	S	S	.	.			trans	-132.5	159.2	174.8	75	0	0	0	0	110.9	P91 Y93 D97	P91-T95 HydrophobicContact CB-CG2 4.01Å; P91-T95 HydrophobicContact CG-CG2 4.11Å; Y93-T95 WeakPolarHBondContact O-CG2 3.38Å; Y93-T95 PolarHBondContact O-N 3.14Å; T95-D97 WeakPolarHBondContact CB-OD1 3.45Å; T95-D97 PolarHBondContact OG1-OD1 3.42Å
96	T	92.3	Very high	92.4	Very high	156 Å²	156	68.9 Å²	68.9	96%	0.957	40%	0.402	S	S	*	.	S	Bend	trans	-94.2	-8.8	179.3	54.5	0	0	0	0	113.4
97	D	91.2	Very high	92.4	Very high	132 Å²	132	69.5 Å²	69.5	71%	0.706	41%	0.405	S	S	*	.	S	Bend	trans	-100.1	1.4	-175.5	65.3	-22.8	0	0	0	113.4	T95	T95-D97 WeakPolarHBondContact CB-OD1 3.45Å; T95-D97 PolarHBondContact OG1-OD1 3.42Å
98	W	90.8	Very high	92.4	Very high	57 Å²	57	74.2 Å²	74.2	22%	0.216	43%	0.425	C	S	.	.			trans	-99.9	111.6	178.1	-177.4	-105.4	0	0	0	111.9	L43 R85 I89 P91 F102	L43-W98 HydrophobicContact CD1-CZ3 3.88Å; R85-W98 VanDerWaalsContact NH1-CE3 3.31Å; I89-W98 VanDerWaalsContact O-CH2 3.23Å; I89-W98 WeakPolarHBondContact O-CH2 3.47Å; I89-W98 WeakPolarHBondContact O-CZ2 3.23Å; P91-W98 VanDerWaalsContact CD-CG 3.43Å; P91-W98 HydrophobicContact CG-CB 3.95Å; P91-W98 HydrophobicContact CG-CG 4.02Å; W98-F102 HydrophobicContact CH2-CE1 4.48Å; W98-F102 AromaticContact CZ2-CE1 3.73Å; W98-F102 HydrophobicContact CZ2-CE1 3.73Å; W98-F102 HydrophobicContact CZ2-CZ 4.27Å
99	A	89.9	Confident	92.4	Very high	56 Å²	56	74 Å²	74	46%	0.463	42%	0.424	S	S	.	.			trans	-88.4	136.4	173.8	0	0	0	0	0	111.1	D101 F102	A99-D101 VanDerWaalsContact CB-OD1 3.31Å; A99-D101 WeakPolarHBondContact CB-OD1 3.32Å; A99-F102 WeakPolarHBondContact O-CD1 3.41Å; A99-F102 WeakPolarHBondContact O-CE1 3.36Å
100	T	88.9	Confident	92.4	Very high	112 Å²	112	81.2 Å²	81.2	69%	0.687	46%	0.458	S	S	*	.			trans	-106.5	15.7	178.5	56.8	0	0	0	0	112.9
101	D	91.7	Very high	92.5	Very high	142 Å²	142	88 Å²	88	76%	0.759	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	5.6	-176.8	63.6	-18.8	0	0	0	113.9	A99 G103	A99-D101 VanDerWaalsContact CB-OD1 3.31Å; A99-D101 WeakPolarHBondContact CB-OD1 3.32Å; D101-G103 PolarHBondContact O-N 3.01Å
102	F	89.3	Confident	92.7	Very high	75 Å²	75	87.6 Å²	87.6	33%	0.329	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-8.2	175.6	58.9	-98.9	0	0	0	114	H88 W98 A99 I104	H88-F102 HydrophobicContact CB-CD2 4.38Å; H88-F102 HydrophobicContact CB-CE2 3.97Å; H88-F102 HydrophobicContact CB-CZ 4.22Å; H88-F102 AromaticContact CD2-CD2 3.77Å; H88-F102 AromaticContact CD2-CG 3.77Å; H88-F102 AromaticContact CG-CD2 3.89Å; H88-F102 AromaticContact CG-CE2 3.99Å; W98-F102 HydrophobicContact CH2-CE1 4.48Å; W98-F102 AromaticContact CZ2-CE1 3.73Å; W98-F102 HydrophobicContact CZ2-CE1 3.73Å; W98-F102 HydrophobicContact CZ2-CZ 4.27Å; A99-F102 WeakPolarHBondContact O-CD1 3.41Å; A99-F102 WeakPolarHBondContact O-CE1 3.36Å; F102-I104 PolarHBondContact O-N 3.48Å
103	G	91.6	Very high	93.1	Very high	61 Å²	61	86 Å²	86	63%	0.629	46%	0.458	S	S	*	.			trans	78.9	-109.4	178.4	0	0	0	0	0	112	D101	D101-G103 PolarHBondContact O-N 3.01Å
104	I	93.8	Very high	93.4	Very high	85 Å²	85	82.1 Å²	82.1	44%	0.436	45%	0.449	S	S	.	.	S	Bend	trans	-92.7	139.5	-179.5	57.5	176.7	0	0	0	110.5	F102 D109	F102-I104 PolarHBondContact O-N 3.48Å; I104-D109 HydrophobicContact CD1-CB 3.71Å; I104-D109 HydrophobicContact CG1-CB 4.18Å
105	P	95.9	Very high	93.7	Very high	22 Å²	22	75.9 Å²	75.9	14%	0.143	41%	0.409	C	S	.	.			trans	-64.6	155.6	173	29.7	-35	0	0	0	110.2	H88 W107 K108 D109	H88-P105 HydrophobicContact CB-CB 3.96Å; P105-W107 VanDerWaalsContact C-N 3.26Å; P105-W107 HydrophobicContact CB-CD2 3.74Å; P105-W107 VanDerWaalsContact CB-CE2 3.46Å; P105-W107 HydrophobicContact CB-CE3 3.9Å; P105-W107 HydrophobicContact CB-CH2 3.52Å; P105-W107 HydrophobicContact CB-CZ2 3.37Å; P105-W107 HydrophobicContact CB-CZ3 3.8Å; P105-W107 HydrophobicContact CG-CD2 4.25Å; P105-W107 HydrophobicContact CG-CH2 4.45Å; P105-W107 HydrophobicContact CG-CZ2 3.82Å; P105-W107 PolarHBondContact O-N 3.07Å; P105-K108 HydrophobicContact CG-CB 4.1Å; P105-K108 HydrophobicContact CG-CD 3.79Å; P105-K108 HydrophobicContact CG-CG 3.9Å; P105-K108 PolarHBondContact O-N 2.94Å; P105-D109 PolarHBondContact O-N 3.44Å
106	W	96	Very high	93.9	Very high	1 Å²	1	77.7 Å²	77.7	0%	0.004	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-67	-32	-167.7	60.9	-98.5	0	0	0	111.4	F24 W29 L31 I34 I47 I55 F59 F86 V87 H88 K108 D109 L112	F24-W106 HydrophobicContact CE1-CH2 4.4Å; F24-W106 AromaticContact CE1-CZ3 3.69Å; F24-W106 HydrophobicContact CE1-CZ3 3.69Å; F24-W106 HydrophobicContact CZ-CZ3 4.17Å; W29-W106 WeakPolarHBondContact CZ3-O 3.35Å; L31-W106 HydrophobicContact CD1-CE3 4.14Å; L31-W106 HydrophobicContact CD1-CH2 4.19Å; L31-W106 HydrophobicContact CD1-CZ3 3.89Å; L31-W106 HydrophobicContact CD2-CD2 4.22Å; L31-W106 HydrophobicContact CD2-CE3 3.51Å; L31-W106 HydrophobicContact CD2-CZ3 3.91Å; L31-W106 HydrophobicContact CG-CE3 4.5Å; I34-W106 HydrophobicContact CD1-CB 3.81Å; I34-W106 HydrophobicContact CG1-CB 3.95Å; I47-W106 HydrophobicContact CD1-CZ2 4.2Å; I55-W106 HydrophobicContact CD1-CH2 3.82Å; F59-W106 HydrophobicContact CE2-CH2 4.35Å; F59-W106 AromaticContact CZ-CH2 3.74Å; F59-W106 HydrophobicContact CZ-CH2 3.74Å; F59-W106 HydrophobicContact CZ-CZ2 4.23Å; F59-W106 HydrophobicContact CZ-CZ3 4.43Å; F86-W106 HydrophobicContact CD2-CZ2 4.03Å; F86-W106 AromaticContact CD2-NE1 3.91Å; F86-W106 AromaticContact CE2-CZ2 3.94Å; F86-W106 HydrophobicContact CE2-CZ2 3.94Å; V87-W106 PolarHBondContact O-NE1 3.05Å; H88-W106 AromaticContact ND1-CD1 3.6Å; H88-W106 PolarHBondContact ND1-N 3.35Å; W106-K108 PolarHBondContact O-N 3.38Å; W106-K108 VanDerWaalsContact O-N 3.16Å; W106-D109 PolarHBondContact O-N 2.62Å; W106-D109 VanDerWaalsContact O-N 3.09Å; W106-L112 HydrophobicContact CB-CD1 4.03Å
107	W	96.2	Very high	94.2	Very high	18 Å²	18	71.7 Å²	71.7	7%	0.068	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-70.7	-5.2	176.7	59.7	92.6	0	0	0	114.1	F24 W29 F59 D65 V66 F86 V87 H88 I89 P105	F24-W107 HydrophobicContact CE2-CB 4.32Å; F24-W107 HydrophobicContact CZ-CB 3.92Å; W29-W107 WeakPolarHBondContact CH2-O 3.4Å; F59-W107 HydrophobicContact CD1-CB 4.42Å; F59-W107 HydrophobicContact CD1-CG 4.4Å; F59-W107 HydrophobicContact CE1-CB 3.44Å; F59-W107 VanDerWaalsContact CE1-CB 3.44Å; F59-W107 AromaticContact CE1-CD1 3.8Å; F59-W107 HydrophobicContact CE1-CD2 4.04Å; F59-W107 AromaticContact CE1-CG 3.5Å; F59-W107 HydrophobicContact CE1-CG 3.5Å; F59-W107 HydrophobicContact CZ-CB 3.76Å; F59-W107 HydrophobicContact CZ-CG 4.22Å; D65-W107 PolarHBondContact OD1-NE1 2.84Å; V66-W107 HydrophobicContact CG2-CD2 4.03Å; V66-W107 HydrophobicContact CG2-CE3 4.38Å; V66-W107 HydrophobicContact CG2-CH2 4.26Å; V66-W107 HydrophobicContact CG2-CZ2 3.85Å; V66-W107 HydrophobicContact CG2-CZ3 4.49Å; F86-W107 HydrophobicContact CD2-CZ3 4.24Å; F86-W107 HydrophobicContact CE2-CE3 4.01Å; F86-W107 HydrophobicContact CE2-CH2 4.41Å; F86-W107 AromaticContact CE2-CZ3 3.69Å; F86-W107 HydrophobicContact CE2-CZ3 3.69Å; V87-W107 WeakPolarHBondContact O-CZ3 3.43Å; H88-W107 HydrophobicContact CB-CH2 3.98Å; H88-W107 HydrophobicContact CB-CZ3 3.79Å; I89-W107 HydrophobicContact CD1-CH2 3.39Å; I89-W107 HydrophobicContact CD1-CZ2 4.05Å; I89-W107 HydrophobicContact CD1-CZ3 3.92Å; I89-W107 HydrophobicContact CG1-CH2 4.09Å; I89-W107 HydrophobicContact CG1-CZ3 4.29Å; P105-W107 VanDerWaalsContact C-N 3.26Å; P105-W107 HydrophobicContact CB-CD2 3.74Å; P105-W107 VanDerWaalsContact CB-CE2 3.46Å; P105-W107 HydrophobicContact CB-CE3 3.9Å; P105-W107 HydrophobicContact CB-CH2 3.52Å; P105-W107 HydrophobicContact CB-CZ2 3.37Å; P105-W107 HydrophobicContact CB-CZ3 3.8Å; P105-W107 HydrophobicContact CG-CD2 4.25Å; P105-W107 HydrophobicContact CG-CH2 4.45Å; P105-W107 HydrophobicContact CG-CZ2 3.82Å; P105-W107 PolarHBondContact O-N 3.07Å
108	K	96.1	Very high	94.4	Very high	100 Å²	100	66 Å²	66	44%	0.435	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-111.5	0.8	172.7	-62.9	-174.1	-176.3	176.8	0	112.6	D65 P105 W106 E110	D65-K108 IonicContact OD1-NZ 3.82Å; D65-K108 WeakPolarHBondContact OD2-CE 3.4Å; D65-K108 IonicContact OD2-NZ 3.24Å; D65-K108 PolarHBondContact OD2-NZ 3.24Å; P105-K108 HydrophobicContact CG-CB 4.1Å; P105-K108 HydrophobicContact CG-CD 3.79Å; P105-K108 HydrophobicContact CG-CG 3.9Å; P105-K108 PolarHBondContact O-N 2.94Å; W106-K108 PolarHBondContact O-N 3.38Å; W106-K108 VanDerWaalsContact O-N 3.16Å; K108-E110 PolarHBondContact O-N 2.84Å
109	D	96.1	Very high	94.5	Very high	19 Å²	19	72.3 Å²	72.3	10%	0.102	37%	0.371	C	S	.	.			trans	-92.5	87.5	-178.9	-171.1	-0.2	0	0	0	111.5	W29 I104 P105 W106 R111 L112	W29-D109 WeakPolarHBondContact CZ3-O 3.49Å; I104-D109 HydrophobicContact CD1-CB 3.71Å; I104-D109 HydrophobicContact CG1-CB 4.18Å; P105-D109 PolarHBondContact O-N 3.44Å; W106-D109 PolarHBondContact O-N 2.62Å; W106-D109 VanDerWaalsContact O-N 3.09Å; D109-R111 PolarHBondContact O-N 3.03Å; D109-R111 WeakPolarHBondContact OD1-CB 3.48Å; D109-R111 WeakPolarHBondContact OD1-CG 3.38Å; D109-R111 IonicContact OD1-CZ 2.8Å; D109-R111 PolarHBondContact OD1-N 3.23Å; D109-R111 IonicContact OD1-NE 2.8Å; D109-R111 PolarHBondContact OD1-NE 3.28Å; D109-R111 IonicContact OD1-NH2 2.93Å; D109-R111 PolarHBondContact OD1-NH2 3.17Å; D109-R111 IonicContact OD2-CZ 3.72Å; D109-R111 IonicContact OD2-NE 3.12Å; D109-R111 PolarHBondContact OD2-NE 3.2Å; D109-R111 IonicContact OD2-NH2 3.32Å; D109-R111 PolarHBondContact OD2-NH2 3.33Å; D109-L112 HydrophobicContact CB-CD1 4.13Å; D109-L112 HydrophobicContact CB-CG 4.28Å; D109-L112 WeakPolarHBondContact O-CB 3.38Å; D109-L112 PolarHBondContact O-N 2.89Å
110	E	95.3	Very high	94.6	Very high	156 Å²	156	73 Å²	73	73%	0.729	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-55.5	-17.9	-177.6	-63.8	-178.2	-179.9	0	0	114.3	K108 L112 I113	K108-E110 PolarHBondContact O-N 2.84Å; E110-L112 PolarHBondContact O-N 3.5Å; E110-I113 HydrophobicContact CB-CD1 4.12Å; E110-I113 HydrophobicContact CG-CD1 4.19Å; E110-I113 WeakPolarHBondContact O-CB 3.43Å; E110-I113 PolarHBondContact O-N 2.92Å; E110-I113 VanDerWaalsContact O-N 3.08Å
111	R	95.7	Very high	94.8	Very high	204 Å²	204	69.8 Å²	69.8	77%	0.77	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-63.8	-20.8	175	-59.3	175.7	-65.4	176.7	2.8	112.9	D109 I113	D109-R111 PolarHBondContact O-N 3.03Å; D109-R111 WeakPolarHBondContact OD1-CB 3.48Å; D109-R111 WeakPolarHBondContact OD1-CG 3.38Å; D109-R111 IonicContact OD1-CZ 2.8Å; D109-R111 PolarHBondContact OD1-N 3.23Å; D109-R111 IonicContact OD1-NE 2.8Å; D109-R111 PolarHBondContact OD1-NE 3.28Å; D109-R111 IonicContact OD1-NH2 2.93Å; D109-R111 PolarHBondContact OD1-NH2 3.17Å; D109-R111 IonicContact OD2-CZ 3.72Å; D109-R111 IonicContact OD2-NE 3.12Å; D109-R111 PolarHBondContact OD2-NE 3.2Å; D109-R111 IonicContact OD2-NH2 3.32Å; D109-R111 PolarHBondContact OD2-NH2 3.33Å; R111-I113 VanDerWaalsContact C-N 3.35Å
112	L	96.5	Very high	94.7	Very high	19 Å²	19	63.7 Å²	63.7	10%	0.099	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-84.7	-8.3	177.2	-59.7	177.5	0	0	0	112.6	W29 D30 L31 P33 I34 W106 D109 E110 V114	W29-L112 CarbonylContact C-O 3.6Å; W29-L112 WeakPolarHBondContact CA-O 3.41Å; W29-L112 HydrophobicContact CE3-CB 3.63Å; W29-L112 HydrophobicContact CE3-CD1 4.48Å; W29-L112 HydrophobicContact CZ3-CB 4.01Å; D30-L112 PolarHBondContact N-O 2.73Å; L31-L112 HydrophobicContact CD2-CD1 4.19Å; P33-L112 HydrophobicContact CB-CD2 4.47Å; P33-L112 HydrophobicContact CG-CD2 4.15Å; I34-L112 HydrophobicContact CD1-CD1 4.07Å; I34-L112 HydrophobicContact CG1-CD1 3.94Å; W106-L112 HydrophobicContact CB-CD1 4.03Å; D109-L112 HydrophobicContact CB-CD1 4.13Å; D109-L112 HydrophobicContact CB-CG 4.28Å; D109-L112 WeakPolarHBondContact O-CB 3.38Å; D109-L112 PolarHBondContact O-N 2.89Å; E110-L112 PolarHBondContact O-N 3.5Å; L112-V114 PolarHBondContact O-N 2.81Å
113	I	96.4	Very high	94.9	Very high	49 Å²	49	64.4 Å²	64.4	25%	0.251	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	124.5	178.3	-61.5	172.5	0	0	0	109.4	Y27 V28 W29 E110 R111	Y27-I113 HydrophobicContact CD1-CD1 4.09Å; Y27-I113 HydrophobicContact CD1-CG2 4.02Å; Y27-I113 HydrophobicContact CG-CD1 4.45Å; V28-I113 WeakPolarHBondContact O-CA 3.43Å; W29-I113 HydrophobicContact CD2-CG1 3.8Å; W29-I113 HydrophobicContact CE3-CG1 4.07Å; W29-I113 HydrophobicContact CG-CG1 4.5Å; W29-I113 HydrophobicContact CH2-CD1 3.94Å; W29-I113 HydrophobicContact CH2-CG1 3.78Å; W29-I113 HydrophobicContact CZ2-CD1 3.59Å; W29-I113 HydrophobicContact CZ2-CG1 3.51Å; W29-I113 HydrophobicContact CZ3-CG1 4.06Å; E110-I113 HydrophobicContact CB-CD1 4.12Å; E110-I113 HydrophobicContact CG-CD1 4.19Å; E110-I113 WeakPolarHBondContact O-CB 3.43Å; E110-I113 PolarHBondContact O-N 2.92Å; E110-I113 VanDerWaalsContact O-N 3.08Å; R111-I113 VanDerWaalsContact C-N 3.35Å
114	V	95.7	Very high	95	Very high	56 Å²	56	61.5 Å²	61.5	34%	0.339	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	-20.9	175.4	-65.3	0	0	0	0	113	F6 W21 V28 D30 L112	F6-V114 HydrophobicContact CE2-CG2 4.11Å; F6-V114 HydrophobicContact CZ-CG2 4.44Å; W21-V114 HydrophobicContact CD2-CG2 4.37Å; W21-V114 HydrophobicContact CE3-CG2 4.32Å; W21-V114 HydrophobicContact CH2-CG2 4.09Å; W21-V114 HydrophobicContact CZ2-CG1 4.45Å; W21-V114 HydrophobicContact CZ2-CG2 4.13Å; W21-V114 HydrophobicContact CZ3-CG2 4.18Å; V28-V114 HydrophobicContact CB-CG2 3.91Å; V28-V114 HydrophobicContact CG1-CG2 3.58Å; V28-V114 WeakPolarHBondContact O-CG2 3.32Å; V28-V114 PolarHBondContact O-N 2.95Å; D30-V114 HydrophobicContact CB-CG1 3.61Å; L112-V114 PolarHBondContact O-N 2.81Å
115	G	96.2	Very high	95	Very high	7 Å²	7	60.9 Å²	60.9	7%	0.072	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.5	-152.3	176	0	0	0	0	0	112.3	V28	V28-G115 PolarHBondContact N-O 3.49Å
116	Y	97	Very high	95	Very high	104 Å²	104	59.9 Å²	59.9	41%	0.408	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	143	-174.7	-57.8	-85.5	0	0	0	110.8	R4 Y5 F6 G26 Y27	R4-Y116 WeakPolarHBondContact O-CD2 3.39Å; R4-Y116 PolarHBondContact O-N 3.01Å; Y5-Y116 CarbonylContact C-O 3.57Å; Y5-Y116 WeakPolarHBondContact CA-O 3.45Å; Y5-Y116 HydrophobicContact CE1-CD2 4.39Å; Y5-Y116 HydrophobicContact CE1-CG 4.23Å; F6-Y116 PolarHBondContact N-O 3.02Å; G26-Y116 WeakPolarHBondContact O-CA 3.13Å; Y27-Y116 AromaticContact CD1-CD1 3.88Å; Y27-Y116 HydrophobicContact CD1-CD1 3.88Å; Y27-Y116 AromaticContact CD1-CE1 3.82Å; Y27-Y116 HydrophobicContact CD1-CE1 3.82Å; Y27-Y116 AromaticContact CE1-CD1 3.81Å; Y27-Y116 HydrophobicContact CE1-CD1 3.81Å; Y27-Y116 AromaticContact CE1-CE1 3.34Å; Y27-Y116 HydrophobicContact CE1-CE1 3.34Å
117	L	97	Very high	95.1	Very high	31 Å²	31	61.8 Å²	61.8	16%	0.162	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.1	166.6	-171.5	73.4	0	0	0	107.5	P8 V11 G26 V28	P8-L117 HydrophobicContact CG-CD1 4.46Å; V11-L117 HydrophobicContact CG2-CD1 4Å; G26-L117 PolarHBondContact O-N 3.18Å; V28-L117 HydrophobicContact CG2-CB 4.1Å; V28-L117 HydrophobicContact CG2-CD1 4.3Å
118	T	96	Very high	95	Very high	12 Å²	12	61.1 Å²	61.1	7%	0.074	28%	0.275	C	S	.	.			trans	-59.9	145.8	176.8	-176.8	0	0	0	0	111.7	F6 K120 T121 C140 E142	F6-T118 WeakPolarHBondContact O-CG2 3.49Å; F6-T118 PolarHBondContact O-N 3.4Å; T118-K120 VanDerWaalsContact C-N 3.28Å; T118-K120 PolarHBondContact OG1-N 3.08Å; T118-K120 PolarHBondContact OG1-O 3.21Å; T118-T121 HydrophobicContact CG2-CG2 3.61Å; T118-C140 HydrophobicContact CG2-CB 4.29Å; T118-C140 WeakPolarHBondContact OG1-CB 3.31Å; T118-E142 WeakPolarHBondContact CB-OE2 3.11Å; T118-E142 PolarHBondContact OG1-OE2 3.02Å
119	K	92.7	Very high	94.8	Very high	189 Å²	189	58.2 Å²	58.2	82%	0.822	27%	0.265	S	S	*	.	S	Bend	trans	-66.8	-33.7	172.7	-68.7	172.3	-176.8	173.5	0	112	E142	K119-E142 WeakPolarHBondContact CB-OE1 3.14Å; K119-E142 VanDerWaalsContact CG-OE1 3.28Å; K119-E142 WeakPolarHBondContact CG-OE1 3.22Å; K119-E142 PolarHBondContact N-OE1 2.87Å
120	K	92.2	Very high	94.6	Very high	72 Å²	72	62.5 Å²	62.5	31%	0.313	29%	0.288	S	S	.	.			trans	-157.1	138.4	-177.3	-173.3	172.1	173.2	-162.4	0	110.1	T118 V141 E184	T118-K120 VanDerWaalsContact C-N 3.28Å; T118-K120 PolarHBondContact OG1-N 3.08Å; T118-K120 PolarHBondContact OG1-O 3.21Å; K120-V141 HydrophobicContact CB-CG1 4.08Å; K120-V141 HydrophobicContact CB-CG2 4.21Å; K120-V141 HydrophobicContact CG-CG1 4.46Å; K120-V141 WeakPolarHBondContact O-CG1 3.43Å; K120-V141 WeakPolarHBondContact O-CG2 3.28Å; K120-V141 PolarHBondContact O-N 3.35Å; K120-E184 WeakPolarHBondContact CD-OE1 3.38Å; K120-E184 WeakPolarHBondContact CE-OE1 3.33Å; K120-E184 IonicContact NZ-OE1 3.73Å; K120-E184 PolarHBondContact NZ-OE1 3.25Å; K120-E184 IonicContact NZ-OE2 2.72Å; K120-E184 PolarHBondContact NZ-OE2 2.87Å
121	T	92.6	Very high	94.4	Very high	43 Å²	43	57.5 Å²	57.5	26%	0.264	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	153.1	171.9	58	0	0	0	0	111	T7 P8 T118 E138 V139	T7-T121 HydrophobicContact CG2-CG2 3.84Å; P8-T121 VanDerWaalsContact CD-CG2 3.49Å; T118-T121 HydrophobicContact CG2-CG2 3.61Å; T121-E138 WeakPolarHBondContact CB-OE1 3.48Å; T121-E138 HydrophobicContact CG2-CG 4.28Å; T121-E138 WeakPolarHBondContact CG2-OE1 3.34Å; T121-E138 PolarHBondContact OG1-OE1 2.69Å; T121-V139 WeakPolarHBondContact CA-O 3.38Å
122	R	90.8	Very high	94.3	Very high	14 Å²	14	53.9 Å²	53.9	5%	0.053	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	149.8	175.1	-168.4	177.9	-172.7	-164.3	0.5	109.3	V139 I182 K183 E190	R122-V139 HydrophobicContact CB-CG2 4.46Å; R122-V139 PolarHBondContact N-O 3.3Å; R122-V139 WeakPolarHBondContact O-CG2 3.21Å; R122-V139 PolarHBondContact O-N 3.47Å; R122-I182 PolarHBondContact NH1-O 3.14Å; R122-K183 PolarHBondContact NH1-O 3.21Å; R122-K183 PolarHBondContact NH2-O 3Å; R122-E190 IonicContact CZ-OE1 2.68Å; R122-E190 IonicContact NE-OE1 2.75Å; R122-E190 PolarHBondContact NE-OE1 3.04Å; R122-E190 IonicContact NE-OE2 3.47Å; R122-E190 IonicContact NH2-OE1 3.07Å; R122-E190 PolarHBondContact NH2-OE1 3.32Å
123	F	92.4	Very high	94.2	Very high	91 Å²	91	57.9 Å²	57.9	40%	0.399	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	142.9	171.4	-72.5	-92.9	0	0	0	111.1	I137 E138 M194	F123-I137 WeakPolarHBondContact CA-O 3.38Å; F123-E138 HydrophobicContact CD1-CB 4.1Å; F123-E138 HydrophobicContact CE1-CB 3.68Å; F123-E138 HydrophobicContact CE1-CG 4.23Å; F123-E138 HydrophobicContact CE2-CG 4.29Å; F123-E138 HydrophobicContact CZ-CB 3.95Å; F123-E138 HydrophobicContact CZ-CG 4.01Å; F123-M194 HydrophobicContact CB-CE 3.44Å; F123-M194 VanDerWaalsContact CB-CE 3.44Å; F123-M194 HydrophobicContact CB-CG 4.14Å; F123-M194 HydrophobicContact CB-SD 3.67Å; F123-M194 HydrophobicContact CG-CE 4.2Å; F123-M194 WeakPolarHBondContact O-CG 3.44Å
124	V	93.7	Very high	94.1	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	137	173.6	-175.6	0	0	0	0	108.7	I137 V139 L177 P195 I197	V124-I137 PolarHBondContact N-O 2.75Å; V124-I137 PolarHBondContact O-N 2.96Å; V124-V139 HydrophobicContact CG2-CG2 3.76Å; V124-L177 HydrophobicContact CG2-CD1 3.67Å; V124-L177 HydrophobicContact CG2-CD2 4.37Å; V124-P195 WeakPolarHBondContact CG1-O 3.44Å; V124-P195 HydrophobicContact CG2-CG 4.21Å; V124-I197 HydrophobicContact CG1-CB 4.48Å; V124-I197 HydrophobicContact CG1-CD1 3.57Å; V124-I197 HydrophobicContact CG1-CG1 3.75Å
125	R	94.9	Very high	94.2	Very high	72 Å²	72	60 Å²	60	27%	0.272	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.9	173.6	-171.3	174.7	-66.3	159.4	1.9	109.3	E134 E136 M194 P195 Q196 I197	R125-E134 HydrophobicContact CG-CB 4.44Å; R125-E136 HydrophobicContact CB-CG 4.49Å; R125-E136 HydrophobicContact CG-CG 4.3Å; R125-E136 IonicContact CZ-OE1 3.08Å; R125-E136 IonicContact NE-OE1 2.73Å; R125-E136 PolarHBondContact NE-OE1 2.84Å; R125-E136 VanDerWaalsContact NE-OE1 3.12Å; R125-E136 IonicContact NH2-OE1 2.84Å; R125-E136 PolarHBondContact NH2-OE1 2.73Å; R125-M194 HydrophobicContact CB-CG 4.38Å; R125-M194 HydrophobicContact CB-SD 3.87Å; R125-M194 PolarHBondContact N-SD 2.73Å; R125-M194 VanDerWaalsContact N-SD 3.44Å; R125-P195 PolarHBondContact N-O 3.34Å; R125-Q196 HydrophobicContact CB-CG 4.43Å; R125-Q196 HydrophobicContact CG-CG 4.46Å; R125-Q196 CarbonylContact O-C 3.3Å; R125-Q196 WeakPolarHBondContact O-CA 3.04Å; R125-I197 PolarHBondContact O-N 2.74Å
126	I	96.3	Very high	94.1	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.5	176.4	-57.5	-170.9	0	0	0	108.7	E134 N135 I137 I148 Y152 W164 I197 L199	I126-E134 WeakPolarHBondContact O-CA 3.37Å; I126-N135 PolarHBondContact N-O 2.97Å; I126-N135 PolarHBondContact O-N 2.58Å; I126-I137 HydrophobicContact CD1-CD1 3.54Å; I126-I137 HydrophobicContact CD1-CG1 4.45Å; I126-I137 HydrophobicContact CG1-CD1 4.24Å; I126-I148 HydrophobicContact CD1-CG2 4.09Å; I126-Y152 HydrophobicContact CB-CD2 4.17Å; I126-Y152 HydrophobicContact CB-CE2 4.05Å; I126-Y152 HydrophobicContact CD1-CD2 3.87Å; I126-Y152 HydrophobicContact CD1-CG 3.87Å; I126-Y152 HydrophobicContact CG2-CD1 4.35Å; I126-Y152 HydrophobicContact CG2-CD2 3.99Å; I126-Y152 HydrophobicContact CG2-CE1 4.13Å; I126-Y152 HydrophobicContact CG2-CE2 3.7Å; I126-Y152 HydrophobicContact CG2-CG 4.28Å; I126-W164 HydrophobicContact CD1-CH2 3.54Å; I126-W164 HydrophobicContact CD1-CZ3 3.61Å; I126-W164 HydrophobicContact CG1-CZ3 4.48Å; I126-I197 CarbonylContact C-O 3.59Å; I126-I197 WeakPolarHBondContact CA-O 3.47Å; I126-L199 HydrophobicContact CG2-CD1 3.28Å; I126-L199 HydrophobicContact CG2-CG 3.85Å
127	F	96.7	Very high	94	Very high	41 Å²	41	59.8 Å²	59.8	18%	0.18	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	112.6	-178.8	-171.9	-94.7	0	0	0	111	T129 L132 E134 Q196 I197 Y198 L199	F127-T129 HydrophobicContact CD1-CG2 3.85Å; F127-T129 HydrophobicContact CE1-CG2 4.09Å; F127-T129 PolarHBondContact O-N 2.95Å; F127-L132 HydrophobicContact CE1-CD2 4.24Å; F127-L132 HydrophobicContact CZ-CD2 3.94Å; F127-E134 HydrophobicContact CD2-CB 4.03Å; F127-Q196 HydrophobicContact CB-CG 4.33Å; F127-I197 PolarHBondContact N-O 3.34Å; F127-Y198 HydrophobicContact CB-CD1 4.09Å; F127-Y198 HydrophobicContact CB-CE1 4.28Å; F127-Y198 AromaticContact CD1-CD1 3.71Å; F127-Y198 HydrophobicContact CD1-CD1 3.71Å; F127-Y198 AromaticContact CD1-CE1 3.87Å; F127-Y198 HydrophobicContact CD1-CE1 3.87Å; F127-Y198 HydrophobicContact CG-CD1 4.24Å; F127-Y198 HydrophobicContact CG-CE1 4.24Å; F127-L199 PolarHBondContact O-N 3.08Å
128	N	94.7	Very high	93.9	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.027	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	106.7	172	-173.2	-29.1	0	0	0	109.9	L130 A131 L132 L133 N156 L199	N128-L130 VanDerWaalsContact C-N 3.3Å; N128-L130 PolarHBondContact O-N 2.91Å; N128-L130 WeakPolarHBondContact OD1-CB 3.44Å; N128-L130 PolarHBondContact OD1-N 3.21Å; N128-A131 HydrophobicContact CB-CB 4.32Å; N128-A131 PolarHBondContact OD1-N 2.97Å; N128-A131 VanDerWaalsContact OD1-N 3.13Å; N128-L132 VanDerWaalsContact O-CA 3.24Å; N128-L132 WeakPolarHBondContact O-CA 3.47Å; N128-L132 PolarHBondContact O-N 2.87Å; N128-L133 PolarHBondContact N-O 3.3Å; N128-L133 PolarHBondContact O-N 3.18Å; N128-N156 PolarHBondContact ND2-ND2 3.13Å; N128-L199 HydrophobicContact CB-CD1 4.29Å
129	T	92.7	Very high	93.9	Very high	39 Å²	39	59.2 Å²	59.2	24%	0.239	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-27.1	-176.4	60.2	0	0	0	0	113.6	F127 Y198 L199 Y200	F127-T129 HydrophobicContact CD1-CG2 3.85Å; F127-T129 HydrophobicContact CE1-CG2 4.09Å; F127-T129 PolarHBondContact O-N 2.95Å; T129-Y198 HydrophobicContact CG2-CD1 3.98Å; T129-L199 WeakPolarHBondContact CB-O 3.05Å; T129-L199 WeakPolarHBondContact CG2-O 3.28Å; T129-L199 PolarHBondContact N-O 2.84Å; T129-L199 VanDerWaalsContact N-O 3.13Å; T129-L199 PolarHBondContact OG1-O 2.85Å; T129-Y200 HydrophobicContact CG2-CD1 4.35Å; T129-Y200 HydrophobicContact CG2-CE1 4Å; T129-Y200 HydrophobicContact CG2-CE2 4.48Å
130	L	91.6	Very high	94	Very high	108 Å²	108	50.2 Å²	50.2	57%	0.565	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-47.1	178.3	-178.9	67.3	0	0	0	111.2	N128 Y201	N128-L130 VanDerWaalsContact C-N 3.3Å; N128-L130 PolarHBondContact O-N 2.91Å; N128-L130 WeakPolarHBondContact OD1-CB 3.44Å; N128-L130 PolarHBondContact OD1-N 3.21Å; L130-Y201 HydrophobicContact CD2-CD1 4.38Å; L130-Y201 HydrophobicContact CD2-CD2 4.06Å; L130-Y201 HydrophobicContact CD2-CG 3.87Å
131	A	91.3	Very high	94	Very high	51 Å²	51	48.9 Å²	48.9	42%	0.421	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-12.4	-177.8	0	0	0	0	0	113.5	N128 L133	N128-A131 HydrophobicContact CB-CB 4.32Å; N128-A131 PolarHBondContact OD1-N 2.97Å; N128-A131 VanDerWaalsContact OD1-N 3.13Å; A131-L133 HydrophobicContact CB-CB 4.38Å; A131-L133 HydrophobicContact CB-CD1 3.98Å; A131-L133 HydrophobicContact CB-CG 3.96Å; A131-L133 PolarHBondContact O-N 2.89Å
132	L	93.2	Very high	94.1	Very high	128 Å²	128	48.7 Å²	48.7	67%	0.67	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	38.2	-170.7	-58	174.7	0	0	0	112.9	F127 N128	F127-L132 HydrophobicContact CE1-CD2 4.24Å; F127-L132 HydrophobicContact CZ-CD2 3.94Å; N128-L132 VanDerWaalsContact O-CA 3.24Å; N128-L132 WeakPolarHBondContact O-CA 3.47Å; N128-L132 PolarHBondContact O-N 2.87Å
133	L	94.7	Very high	94.3	Very high	103 Å²	103	48 Å²	48	54%	0.539	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	138.1	178.9	-66.7	176.8	0	0	0	110.6	N128 A131	N128-L133 PolarHBondContact N-O 3.3Å; N128-L133 PolarHBondContact O-N 3.18Å; A131-L133 HydrophobicContact CB-CB 4.38Å; A131-L133 HydrophobicContact CB-CD1 3.98Å; A131-L133 HydrophobicContact CB-CG 3.96Å; A131-L133 PolarHBondContact O-N 2.89Å
134	E	94.8	Very high	94.5	Very high	115 Å²	115	45.1 Å²	45.1	54%	0.537	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137.9	172.9	66.4	-173.6	-178.1	0	0	111	R125 I126 F127	R125-E134 HydrophobicContact CG-CB 4.44Å; I126-E134 WeakPolarHBondContact O-CA 3.37Å; F127-E134 HydrophobicContact CD2-CB 4.03Å
135	N	95.9	Very high	94.6	Very high	34 Å²	34	45.1 Å²	45.1	18%	0.182	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.7	173.9	-59.4	114	0	0	0	109.6	I126 Y152 F155	I126-N135 PolarHBondContact N-O 2.97Å; I126-N135 PolarHBondContact O-N 2.58Å; N135-Y152 HydrophobicContact CB-CE2 4.02Å; N135-Y152 WeakPolarHBondContact OD1-CE2 3.29Å; N135-F155 HydrophobicContact CB-CD1 4.42Å; N135-F155 HydrophobicContact CB-CD2 4.08Å; N135-F155 HydrophobicContact CB-CE1 4.47Å; N135-F155 HydrophobicContact CB-CE2 4.1Å; N135-F155 HydrophobicContact CB-CG 4.21Å; N135-F155 HydrophobicContact CB-CZ 4.29Å
136	E	94.9	Very high	94.6	Very high	100 Å²	100	43.3 Å²	43.3	47%	0.467	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.6	173.7	-61.6	-177	167.1	0	0	109.3	R125 M194	R125-E136 HydrophobicContact CB-CG 4.49Å; R125-E136 HydrophobicContact CG-CG 4.3Å; R125-E136 IonicContact CZ-OE1 3.08Å; R125-E136 IonicContact NE-OE1 2.73Å; R125-E136 PolarHBondContact NE-OE1 2.84Å; R125-E136 VanDerWaalsContact NE-OE1 3.12Å; R125-E136 IonicContact NH2-OE1 2.84Å; R125-E136 PolarHBondContact NH2-OE1 2.73Å; E136-M194 HydrophobicContact CB-SD 4.31Å; E136-M194 HydrophobicContact CG-CE 4.27Å; E136-M194 HydrophobicContact CG-SD 4Å
137	I	95	Very high	94.6	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.036	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.5	-176.4	-44.3	-179	0	0	0	108.8	F123 V124 I126 V139 R151 Y152 F155	F123-I137 WeakPolarHBondContact CA-O 3.38Å; V124-I137 PolarHBondContact N-O 2.75Å; V124-I137 PolarHBondContact O-N 2.96Å; I126-I137 HydrophobicContact CD1-CD1 3.54Å; I126-I137 HydrophobicContact CD1-CG1 4.45Å; I126-I137 HydrophobicContact CG1-CD1 4.24Å; I137-V139 HydrophobicContact CB-CG1 4.43Å; I137-V139 HydrophobicContact CG2-CG1 4.18Å; I137-R151 HydrophobicContact CG2-CB 4.07Å; I137-Y152 HydrophobicContact CD1-CD2 3.71Å; I137-Y152 HydrophobicContact CD1-CG 4.2Å; I137-F155 HydrophobicContact CD1-CD2 4.37Å; I137-F155 HydrophobicContact CD1-CE2 4.09Å; I137-F155 HydrophobicContact CG1-CE2 4.08Å
138	E	95	Very high	94.5	Very high	32 Å²	32	42.9 Å²	42.9	15%	0.15	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	128.2	166.4	-168.1	-175.1	-159.4	0	0	109.6	T7 N9 T121 F123	T7-E138 HydrophobicContact CG2-CG 4.1Å; N9-E138 WeakPolarHBondContact CB-OE2 3.42Å; N9-E138 PolarHBondContact ND2-OE2 2.93Å; T121-E138 WeakPolarHBondContact CB-OE1 3.48Å; T121-E138 HydrophobicContact CG2-CG 4.28Å; T121-E138 WeakPolarHBondContact CG2-OE1 3.34Å; T121-E138 PolarHBondContact OG1-OE1 2.69Å; F123-E138 HydrophobicContact CD1-CB 4.1Å; F123-E138 HydrophobicContact CE1-CB 3.68Å; F123-E138 HydrophobicContact CE1-CG 4.23Å; F123-E138 HydrophobicContact CE2-CG 4.29Å; F123-E138 HydrophobicContact CZ-CB 3.95Å; F123-E138 HydrophobicContact CZ-CG 4.01Å
139	V	95.1	Very high	94.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	159.7	-177	-56.5	0	0	0	0	110.5	T121 R122 V124 I137 I148 L177	T121-V139 WeakPolarHBondContact CA-O 3.38Å; R122-V139 HydrophobicContact CB-CG2 4.46Å; R122-V139 PolarHBondContact N-O 3.3Å; R122-V139 WeakPolarHBondContact O-CG2 3.21Å; R122-V139 PolarHBondContact O-N 3.47Å; V124-V139 HydrophobicContact CG2-CG2 3.76Å; I137-V139 HydrophobicContact CB-CG1 4.43Å; I137-V139 HydrophobicContact CG2-CG1 4.18Å; V139-I148 HydrophobicContact CB-CD1 4.4Å; V139-I148 HydrophobicContact CB-CG1 4.22Å; V139-I148 HydrophobicContact CG1-CD1 4.25Å; V139-I148 HydrophobicContact CG1-CG1 3.89Å; V139-I148 HydrophobicContact CG1-CG2 4.11Å; V139-I148 HydrophobicContact CG2-CD1 4.35Å; V139-L177 HydrophobicContact CG2-CD1 3.98Å
140	C	95.1	Very high	94.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	143.8	172.6	-52.8	0	0	0	0	109.6	T118 E142 E143	T118-C140 HydrophobicContact CG2-CB 4.29Å; T118-C140 WeakPolarHBondContact OG1-CB 3.31Å; C140-E142 PolarHBondContact O-N 2.9Å; C140-E143 HydrophobicContact CB-CB 4.36Å; C140-E143 HydrophobicContact CB-CG 3.81Å; C140-E143 PolarHBondContact N-OE2 2.93Å; C140-E143 WeakPolarHBondContact O-CB 3.4Å; C140-E143 PolarHBondContact O-N 3.37Å; C140-E143 VanDerWaalsContact O-N 3.14Å
141	V	93.5	Very high	94.7	Very high	44 Å²	44	41.7 Å²	41.7	27%	0.267	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.9	177	-69.9	0	0	0	0	113.4	K120	K120-V141 HydrophobicContact CB-CG1 4.08Å; K120-V141 HydrophobicContact CB-CG2 4.21Å; K120-V141 HydrophobicContact CG-CG1 4.46Å; K120-V141 WeakPolarHBondContact O-CG1 3.43Å; K120-V141 WeakPolarHBondContact O-CG2 3.28Å; K120-V141 PolarHBondContact O-N 3.35Å
142	E	94.4	Very high	94.9	Very high	38 Å²	38	39.4 Å²	39.4	18%	0.178	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.6	178.8	-55	88.7	168	0	0	113.9	Y5 T118 K119 C140	Y5-E142 HydrophobicContact CD1-CB 3.93Å; Y5-E142 HydrophobicContact CD1-CG 4.08Å; Y5-E142 HydrophobicContact CD2-CB 3.78Å; Y5-E142 HydrophobicContact CE1-CB 3.81Å; Y5-E142 HydrophobicContact CE1-CG 3.75Å; Y5-E142 HydrophobicContact CE2-CB 3.65Å; Y5-E142 HydrophobicContact CE2-CG 4.45Å; Y5-E142 HydrophobicContact CG-CB 3.92Å; T118-E142 WeakPolarHBondContact CB-OE2 3.11Å; T118-E142 PolarHBondContact OG1-OE2 3.02Å; K119-E142 WeakPolarHBondContact CB-OE1 3.14Å; K119-E142 VanDerWaalsContact CG-OE1 3.28Å; K119-E142 WeakPolarHBondContact CG-OE1 3.22Å; K119-E142 PolarHBondContact N-OE1 2.87Å; C140-E142 PolarHBondContact O-N 2.9Å
143	E	94.9	Very high	95	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.187	C	C	.	.			trans	-73.1	139	-175.9	-84.4	174	155.3	0	0	112.2	S3 C140 D147 I148 R151 N176	S3-E143 PolarHBondContact OG-OE1 3.3Å; S3-E143 VanDerWaalsContact OG-OE1 3.11Å; C140-E143 HydrophobicContact CB-CB 4.36Å; C140-E143 HydrophobicContact CB-CG 3.81Å; C140-E143 PolarHBondContact N-OE2 2.93Å; C140-E143 WeakPolarHBondContact O-CB 3.4Å; C140-E143 PolarHBondContact O-N 3.37Å; C140-E143 VanDerWaalsContact O-N 3.14Å; E143-D147 HydrophobicContact CB-CB 3.82Å; E143-D147 HydrophobicContact CG-CB 3.71Å; E143-I148 HydrophobicContact CB-CG1 4.31Å; E143-R151 VanDerWaalsContact CD-NE 3.26Å; E143-R151 IonicContact OE1-CZ 3.14Å; E143-R151 VanDerWaalsContact OE1-CZ 3.24Å; E143-R151 IonicContact OE1-NE 2.7Å; E143-R151 PolarHBondContact OE1-NE 2.98Å; E143-R151 IonicContact OE1-NH2 3.2Å; E143-R151 PolarHBondContact OE1-NH2 3.18Å; E143-R151 IonicContact OE2-CZ 3.75Å; E143-R151 IonicContact OE2-NE 3.32Å; E143-R151 PolarHBondContact OE2-NE 3.1Å; E143-R151 IonicContact OE2-NH2 3.62Å; E143-N176 WeakPolarHBondContact O-CA 3.34Å; E143-N176 VanDerWaalsContact O-CB 3.25Å; E143-N176 WeakPolarHBondContact O-CB 3.06Å
144	T	95.7	Very high	94.9	Very high	30 Å²	30	38.9 Å²	38.9	18%	0.184	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-75.9	164.3	170.2	64.5	0	0	0	0	110.6	T146 D147 I148 E174 K175	T144-T146 PolarHBondContact O-N 2.68Å; T144-T146 PolarHBondContact OG1-N 3.46Å; T144-D147 PolarHBondContact N-OD2 2.93Å; T144-D147 WeakPolarHBondContact O-CB 3.48Å; T144-D147 PolarHBondContact O-N 3.2Å; T144-D147 VanDerWaalsContact OG1-CG 3.3Å; T144-D147 PolarHBondContact OG1-N 3.07Å; T144-D147 PolarHBondContact OG1-OD2 3.44Å; T144-I148 WeakPolarHBondContact O-CG1 3.38Å; T144-I148 PolarHBondContact O-N 3.45Å; T144-E174 WeakPolarHBondContact CG2-O 3.41Å; T144-K175 WeakPolarHBondContact CA-O 3.39Å
145	I	96.1	Very high	94.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61	-30.6	173	-50.3	-56.7	0	0	0	111	D147 I148 L149 W164 L171 M173 K175 L177 N180	I145-D147 PolarHBondContact O-N 3.47Å; I145-I148 HydrophobicContact CD1-CD1 4.19Å; I145-I148 PolarHBondContact O-N 3.24Å; I145-L149 WeakPolarHBondContact O-CB 3.21Å; I145-L149 PolarHBondContact O-N 2.77Å; I145-W164 HydrophobicContact CG2-CD2 4Å; I145-W164 HydrophobicContact CG2-CE3 3.56Å; I145-W164 HydrophobicContact CG2-CG 4.41Å; I145-W164 HydrophobicContact CG2-CZ3 4.14Å; I145-L171 HydrophobicContact CD1-CD1 4.18Å; I145-L171 HydrophobicContact CG1-CB 4.27Å; I145-L171 HydrophobicContact CG1-CD1 4.4Å; I145-L171 HydrophobicContact CG2-CD1 4.46Å; I145-M173 HydrophobicContact CB-CE 4.2Å; I145-M173 HydrophobicContact CB-SD 4.03Å; I145-M173 HydrophobicContact CG2-CE 3.71Å; I145-M173 HydrophobicContact CG2-SD 3.53Å; I145-M173 VanDerWaalsContact CG2-SD 3.53Å; I145-M173 PolarHBondContact N-O 3.06Å; I145-K175 WeakPolarHBondContact CG1-O 3.42Å; I145-K175 PolarHBondContact N-O 2.9Å; I145-L177 HydrophobicContact CD1-CD2 3.73Å; I145-N180 WeakPolarHBondContact CG1-ND2 3.23Å
146	T	95.5	Very high	94.8	Very high	34 Å²	34	37.3 Å²	37.3	21%	0.209	19%	0.185	C	C	.	.	H	α-helix	trans	-60	-42.5	171	-66.2	0	0	0	0	112.2	T144 L149 V150 M173	T144-T146 PolarHBondContact O-N 2.68Å; T144-T146 PolarHBondContact OG1-N 3.46Å; T146-L149 WeakPolarHBondContact O-CB 3.43Å; T146-L149 PolarHBondContact O-N 2.97Å; T146-V150 WeakPolarHBondContact O-CG2 3.38Å; T146-V150 PolarHBondContact O-N 3.19Å; T146-V150 VanDerWaalsContact O-N 3.09Å; T146-M173 PolarHBondContact N-O 2.93Å; T146-M173 PolarHBondContact OG1-O 3.26Å
147	D	95	Very high	94.6	Very high	31 Å²	31	36.6 Å²	36.6	17%	0.166	19%	0.191	C	C	.	.	H	α-helix	trans	-67	-40.4	176.4	-60.3	-56.1	0	0	0	111.3	E143 T144 I145 L149 V150 R151	E143-D147 HydrophobicContact CB-CB 3.82Å; E143-D147 HydrophobicContact CG-CB 3.71Å; T144-D147 PolarHBondContact N-OD2 2.93Å; T144-D147 WeakPolarHBondContact O-CB 3.48Å; T144-D147 PolarHBondContact O-N 3.2Å; T144-D147 VanDerWaalsContact OG1-CG 3.3Å; T144-D147 PolarHBondContact OG1-N 3.07Å; T144-D147 PolarHBondContact OG1-OD2 3.44Å; I145-D147 PolarHBondContact O-N 3.47Å; D147-L149 VanDerWaalsContact C-N 3.33Å; D147-L149 PolarHBondContact O-N 3.04Å; D147-V150 WeakPolarHBondContact O-CB 3.45Å; D147-V150 PolarHBondContact O-N 3.22Å; D147-V150 VanDerWaalsContact O-N 3.16Å; D147-R151 PolarHBondContact O-N 3.09Å; D147-R151 VanDerWaalsContact O-N 3.15Å
148	I	95.5	Very high	94.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-39.7	175	-61.8	175.9	0	0	0	111.1	I126 V139 E143 T144 I145 V150 R151 Y152 W164 L177	I126-I148 HydrophobicContact CD1-CG2 4.09Å; V139-I148 HydrophobicContact CB-CD1 4.4Å; V139-I148 HydrophobicContact CB-CG1 4.22Å; V139-I148 HydrophobicContact CG1-CD1 4.25Å; V139-I148 HydrophobicContact CG1-CG1 3.89Å; V139-I148 HydrophobicContact CG1-CG2 4.11Å; V139-I148 HydrophobicContact CG2-CD1 4.35Å; E143-I148 HydrophobicContact CB-CG1 4.31Å; T144-I148 WeakPolarHBondContact O-CG1 3.38Å; T144-I148 PolarHBondContact O-N 3.45Å; I145-I148 HydrophobicContact CD1-CD1 4.19Å; I145-I148 PolarHBondContact O-N 3.24Å; I148-V150 VanDerWaalsContact C-N 3.32Å; I148-V150 PolarHBondContact O-N 3.06Å; I148-R151 WeakPolarHBondContact O-CB 3.3Å; I148-R151 PolarHBondContact O-N 3.16Å; I148-R151 VanDerWaalsContact O-N 3.16Å; I148-Y152 PolarHBondContact O-N 3.34Å; I148-W164 HydrophobicContact CG2-CH2 4.26Å; I148-W164 HydrophobicContact CG2-CZ3 3.95Å; I148-L177 HydrophobicContact CD1-CD1 4.14Å; I148-L177 HydrophobicContact CD1-CD2 3.75Å; I148-L177 HydrophobicContact CD1-CG 3.85Å
149	L	95.5	Very high	94.3	Very high	21 Å²	21	39.6 Å²	39.6	11%	0.11	20%	0.204	C	C	.	.	H	α-helix	trans	-57	-47	172.5	163.7	64.4	0	0	0	110.4	I145 T146 D147 R151 Y152 L153 A159 A160 W164 M173	I145-L149 WeakPolarHBondContact O-CB 3.21Å; I145-L149 PolarHBondContact O-N 2.77Å; T146-L149 WeakPolarHBondContact O-CB 3.43Å; T146-L149 PolarHBondContact O-N 2.97Å; D147-L149 VanDerWaalsContact C-N 3.33Å; D147-L149 PolarHBondContact O-N 3.04Å; L149-R151 VanDerWaalsContact C-N 3.26Å; L149-R151 PolarHBondContact O-N 3.4Å; L149-Y152 CarbonylContact O-C 3.42Å; L149-Y152 WeakPolarHBondContact O-CA 3.36Å; L149-Y152 PolarHBondContact O-N 3.31Å; L149-L153 HydrophobicContact CD1-CD2 4.04Å; L149-L153 HydrophobicContact CD1-CG 4.23Å; L149-L153 WeakPolarHBondContact O-CG 3.38Å; L149-L153 PolarHBondContact O-N 2.98Å; L149-A159 HydrophobicContact CD1-CB 3.65Å; L149-A160 HydrophobicContact CD2-CB 4.19Å; L149-W164 HydrophobicContact CB-CH2 4.09Å; L149-W164 HydrophobicContact CB-CZ2 3.71Å; L149-W164 HydrophobicContact CD1-CZ2 3.56Å; L149-W164 HydrophobicContact CG-CZ2 4.21Å; L149-M173 HydrophobicContact CB-CE 4.15Å; L149-M173 HydrophobicContact CD2-CE 3.95Å
150	V	94.5	Very high	94.1	Very high	68 Å²	68	43 Å²	43	41%	0.412	23%	0.233	S	C	.	.	H	α-helix	trans	-57	-40.5	177.3	173.7	0	0	0	0	111.4	T146 D147 I148 Y152	T146-V150 WeakPolarHBondContact O-CG2 3.38Å; T146-V150 PolarHBondContact O-N 3.19Å; T146-V150 VanDerWaalsContact O-N 3.09Å; D147-V150 WeakPolarHBondContact O-CB 3.45Å; D147-V150 PolarHBondContact O-N 3.22Å; D147-V150 VanDerWaalsContact O-N 3.16Å; I148-V150 VanDerWaalsContact C-N 3.32Å; I148-V150 PolarHBondContact O-N 3.06Å; V150-Y152 VanDerWaalsContact C-N 3.34Å; V150-Y152 PolarHBondContact O-N 3.24Å
151	R	93.8	Very high	93.9	Very high	39 Å²	39	44.1 Å²	44.1	15%	0.147	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-36.3	173.9	-66.4	-178.4	176.3	-86.5	-9.2	112.7	Y5 D10 I137 E143 D147 I148 L149 K154	Y5-R151 PolarHBondContact O-NH2 2.77Å; D10-R151 IonicContact OD1-NH1 2.69Å; D10-R151 PolarHBondContact OD1-NH1 2.72Å; D10-R151 VanDerWaalsContact OD1-NH1 3.11Å; D10-R151 IonicContact OD2-CZ 3.41Å; D10-R151 VanDerWaalsContact OD2-CZ 3.32Å; D10-R151 IonicContact OD2-NH1 3.54Å; D10-R151 PolarHBondContact OD2-NH1 3.38Å; D10-R151 IonicContact OD2-NH2 2.71Å; D10-R151 PolarHBondContact OD2-NH2 3.09Å; I137-R151 HydrophobicContact CG2-CB 4.07Å; E143-R151 VanDerWaalsContact CD-NE 3.26Å; E143-R151 IonicContact OE1-CZ 3.14Å; E143-R151 VanDerWaalsContact OE1-CZ 3.24Å; E143-R151 IonicContact OE1-NE 2.7Å; E143-R151 PolarHBondContact OE1-NE 2.98Å; E143-R151 IonicContact OE1-NH2 3.2Å; E143-R151 PolarHBondContact OE1-NH2 3.18Å; E143-R151 IonicContact OE2-CZ 3.75Å; E143-R151 IonicContact OE2-NE 3.32Å; E143-R151 PolarHBondContact OE2-NE 3.1Å; E143-R151 IonicContact OE2-NH2 3.62Å; D147-R151 PolarHBondContact O-N 3.09Å; D147-R151 VanDerWaalsContact O-N 3.15Å; I148-R151 WeakPolarHBondContact O-CB 3.3Å; I148-R151 PolarHBondContact O-N 3.16Å; I148-R151 VanDerWaalsContact O-N 3.16Å; L149-R151 VanDerWaalsContact C-N 3.26Å; L149-R151 PolarHBondContact O-N 3.4Å; R151-K154 WeakPolarHBondContact O-CD 3.47Å; R151-K154 WeakPolarHBondContact O-CG 3.46Å
152	Y	95.7	Very high	94	Very high	3 Å²	3	43.2 Å²	43.2	1%	0.012	23%	0.232	C	C	.	.	H	α-helix	trans	-77.7	-23.1	-179	-177.2	-112.5	0	0	0	114.2	I126 N135 I137 I148 L149 V150 K154 F155 N156 A159 W164 L199	I126-Y152 HydrophobicContact CB-CD2 4.17Å; I126-Y152 HydrophobicContact CB-CE2 4.05Å; I126-Y152 HydrophobicContact CD1-CD2 3.87Å; I126-Y152 HydrophobicContact CD1-CG 3.87Å; I126-Y152 HydrophobicContact CG2-CD1 4.35Å; I126-Y152 HydrophobicContact CG2-CD2 3.99Å; I126-Y152 HydrophobicContact CG2-CE1 4.13Å; I126-Y152 HydrophobicContact CG2-CE2 3.7Å; I126-Y152 HydrophobicContact CG2-CG 4.28Å; N135-Y152 HydrophobicContact CB-CE2 4.02Å; N135-Y152 WeakPolarHBondContact OD1-CE2 3.29Å; I137-Y152 HydrophobicContact CD1-CD2 3.71Å; I137-Y152 HydrophobicContact CD1-CG 4.2Å; I148-Y152 PolarHBondContact O-N 3.34Å; L149-Y152 CarbonylContact O-C 3.42Å; L149-Y152 WeakPolarHBondContact O-CA 3.36Å; L149-Y152 PolarHBondContact O-N 3.31Å; V150-Y152 VanDerWaalsContact C-N 3.34Å; V150-Y152 PolarHBondContact O-N 3.24Å; Y152-K154 PolarHBondContact O-N 3.12Å; Y152-F155 HydrophobicContact CD2-CB 4.08Å; Y152-F155 AromaticContact CD2-CD2 3.65Å; Y152-F155 HydrophobicContact CD2-CD2 3.65Å; Y152-F155 HydrophobicContact CD2-CG 4.3Å; Y152-F155 HydrophobicContact CE2-CB 3.82Å; Y152-F155 HydrophobicContact CE2-CD2 4.06Å; Y152-F155 HydrophobicContact CE2-CG 4.3Å; Y152-F155 PolarHBondContact O-N 3.07Å; Y152-N156 HydrophobicContact CE1-CB 3.81Å; Y152-N156 PolarHBondContact O-N 3.43Å; Y152-A159 HydrophobicContact CD1-CB 3.48Å; Y152-A159 VanDerWaalsContact CD1-CB 3.48Å; Y152-A159 HydrophobicContact CE1-CB 3.63Å; Y152-W164 HydrophobicContact CD1-CH2 4.27Å; Y152-W164 HydrophobicContact CD1-CZ2 4.06Å; Y152-W164 HydrophobicContact CG-CH2 4.34Å; Y152-L199 HydrophobicContact CD1-CD1 4.07Å; Y152-L199 HydrophobicContact CE1-CD1 3.22Å; Y152-L199 VanDerWaalsContact CZ-CD1 3.49Å; Y152-L199 WeakPolarHBondContact OH-CD1 3.49Å
153	L	94.8	Very high	94	Very high	62 Å²	62	43 Å²	43	33%	0.325	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-23.1	-178.7	-75.7	174.9	0	0	0	114	L149 F155 N156 S157 A159	L149-L153 HydrophobicContact CD1-CD2 4.04Å; L149-L153 HydrophobicContact CD1-CG 4.23Å; L149-L153 WeakPolarHBondContact O-CG 3.38Å; L149-L153 PolarHBondContact O-N 2.98Å; L153-F155 PolarHBondContact O-N 2.87Å; L153-N156 WeakPolarHBondContact CA-O 3.34Å; L153-N156 CarbonylContact O-C 2.98Å; L153-N156 VanDerWaalsContact O-C 3.3Å; L153-N156 PolarHBondContact O-N 3.02Å; L153-S157 WeakPolarHBondContact CD2-O 3.22Å; L153-S157 PolarHBondContact O-N 3.17Å; L153-A159 HydrophobicContact CD2-CB 4.23Å
154	K	93.3	Very high	94.1	Very high	158 Å²	158	43.2 Å²	43.2	69%	0.687	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.3	173.5	72.2	-170.7	178.4	-178.2	0	114	R151 Y152	R151-K154 WeakPolarHBondContact O-CD 3.47Å; R151-K154 WeakPolarHBondContact O-CG 3.46Å; Y152-K154 PolarHBondContact O-N 3.12Å
155	F	94	Very high	94.2	Very high	94 Å²	94	44.6 Å²	44.6	41%	0.412	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-33.6	177.8	-58	-72.9	0	0	0	112.1	N135 I137 Y152 L153	N135-F155 HydrophobicContact CB-CD1 4.42Å; N135-F155 HydrophobicContact CB-CD2 4.08Å; N135-F155 HydrophobicContact CB-CE1 4.47Å; N135-F155 HydrophobicContact CB-CE2 4.1Å; N135-F155 HydrophobicContact CB-CG 4.21Å; N135-F155 HydrophobicContact CB-CZ 4.29Å; I137-F155 HydrophobicContact CD1-CD2 4.37Å; I137-F155 HydrophobicContact CD1-CE2 4.09Å; I137-F155 HydrophobicContact CG1-CE2 4.08Å; Y152-F155 HydrophobicContact CD2-CB 4.08Å; Y152-F155 AromaticContact CD2-CD2 3.65Å; Y152-F155 HydrophobicContact CD2-CD2 3.65Å; Y152-F155 HydrophobicContact CD2-CG 4.3Å; Y152-F155 HydrophobicContact CE2-CB 3.82Å; Y152-F155 HydrophobicContact CE2-CD2 4.06Å; Y152-F155 HydrophobicContact CE2-CG 4.3Å; Y152-F155 PolarHBondContact O-N 3.07Å; L153-F155 PolarHBondContact O-N 2.87Å
156	N	93.2	Very high	94.2	Very high	22 Å²	22	47 Å²	47	12%	0.118	25%	0.247	C	C	.	.			trans	-144.1	106.3	175.5	-179.4	-5	0	0	0	110.4	N128 Y152 L153 H158 A159	N128-N156 PolarHBondContact ND2-ND2 3.13Å; Y152-N156 HydrophobicContact CE1-CB 3.81Å; Y152-N156 PolarHBondContact O-N 3.43Å; L153-N156 WeakPolarHBondContact CA-O 3.34Å; L153-N156 CarbonylContact O-C 2.98Å; L153-N156 VanDerWaalsContact O-C 3.3Å; L153-N156 PolarHBondContact O-N 3.02Å; N156-H158 PolarHBondContact O-N 3.19Å; N156-H158 PolarHBondContact OD1-N 3.47Å; N156-A159 HydrophobicContact CB-CB 4.16Å; N156-A159 VanDerWaalsContact O-CB 3.25Å; N156-A159 WeakPolarHBondContact O-CB 3.34Å; N156-A159 PolarHBondContact O-N 3.25Å; N156-A159 VanDerWaalsContact O-N 3.12Å; N156-A159 PolarHBondContact OD1-N 3.27Å
157	S	92.1	Very high	94	Very high	84 Å²	84	51.2 Å²	51.2	59%	0.587	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-24.1	179.9	50.3	0	0	0	0	113.8	L153	L153-S157 WeakPolarHBondContact CD2-O 3.22Å; L153-S157 PolarHBondContact O-N 3.17Å
158	H	89.8	Confident	93.9	Very high	103 Å²	103	52.6 Å²	52.6	48%	0.477	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	6.9	-179.5	-57.3	-77.8	0	0	0	112.4	N156 A160 S161 Y162	N156-H158 PolarHBondContact O-N 3.19Å; N156-H158 PolarHBondContact OD1-N 3.47Å; H158-A160 PolarHBondContact O-N 2.9Å; H158-S161 PolarHBondContact O-N 3.08Å; H158-S161 PolarHBondContact O-OG 3.38Å; H158-Y162 HydrophobicContact CB-CE2 4.49Å; H158-Y162 VanDerWaalsContact O-CD2 3.31Å; H158-Y162 WeakPolarHBondContact O-CD2 3.4Å
159	A	92.5	Very high	93.9	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-59.4	-16.2	-177.1	0	0	0	0	0	114.5	L149 Y152 L153 N156 S161 Y162 W164	L149-A159 HydrophobicContact CD1-CB 3.65Å; Y152-A159 HydrophobicContact CD1-CB 3.48Å; Y152-A159 VanDerWaalsContact CD1-CB 3.48Å; Y152-A159 HydrophobicContact CE1-CB 3.63Å; L153-A159 HydrophobicContact CD2-CB 4.23Å; N156-A159 HydrophobicContact CB-CB 4.16Å; N156-A159 VanDerWaalsContact O-CB 3.25Å; N156-A159 WeakPolarHBondContact O-CB 3.34Å; N156-A159 PolarHBondContact O-N 3.25Å; N156-A159 VanDerWaalsContact O-N 3.12Å; N156-A159 PolarHBondContact OD1-N 3.27Å; A159-S161 VanDerWaalsContact C-N 3.29Å; A159-S161 PolarHBondContact O-N 3.04Å; A159-Y162 PolarHBondContact O-N 2.94Å; A159-W164 PolarHBondContact O-NE1 3.44Å
160	A	91.5	Very high	94	Very high	72 Å²	72	60.5 Å²	60.5	60%	0.595	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-67.7	-24.7	174.7	0	0	0	0	0	113.5	L149 H158	L149-A160 HydrophobicContact CD2-CB 4.19Å; H158-A160 PolarHBondContact O-N 2.9Å
161	S	91.8	Very high	94.1	Very high	23 Å²	23	57.8 Å²	57.8	16%	0.161	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-85.9	-8.8	175.4	68.6	0	0	0	0	113.2	H158 A159 N202 D204	H158-S161 PolarHBondContact O-N 3.08Å; H158-S161 PolarHBondContact O-OG 3.38Å; A159-S161 VanDerWaalsContact C-N 3.29Å; A159-S161 PolarHBondContact O-N 3.04Å; S161-N202 WeakPolarHBondContact O-CB 3.46Å; S161-N202 PolarHBondContact O-ND2 3.11Å; S161-D204 WeakPolarHBondContact CB-OD2 3.33Å
162	Y	93.8	Very high	94.3	Very high	25 Å²	25	59 Å²	59	10%	0.098	33%	0.331	C	S	.	.	S	Bend	trans	-81.9	148.9	-178.6	-73.8	-116.7	0	0	0	111	H158 A159 L199 Y200 Y201	H158-Y162 HydrophobicContact CB-CE2 4.49Å; H158-Y162 VanDerWaalsContact O-CD2 3.31Å; H158-Y162 WeakPolarHBondContact O-CD2 3.4Å; A159-Y162 PolarHBondContact O-N 2.94Å; Y162-L199 HydrophobicContact CD1-CB 3.8Å; Y162-L199 HydrophobicContact CG-CB 4.38Å; Y162-L199 HydrophobicContact CG-CD2 4.47Å; Y162-Y200 CarbonylContact C-O 3.57Å; Y162-Y200 WeakPolarHBondContact CA-O 3.14Å; Y162-Y201 HydrophobicContact CE1-CD2 4.14Å; Y162-Y201 HydrophobicContact CE1-CG 4.48Å; Y162-Y201 AromaticContact CE2-CD2 3.93Å; Y162-Y201 HydrophobicContact CE2-CD2 3.93Å; Y162-Y201 AromaticContact CZ-CD2 3.71Å
163	T	95.5	Very high	94.3	Very high	33 Å²	33	61.2 Å²	61.2	20%	0.202	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.9	167.7	-62.6	0	0	0	0	110.1	K165 V170 Y200 N202	T163-K165 HydrophobicContact CG2-CG 4.11Å; T163-V170 HydrophobicContact CG2-CG1 4.04Å; T163-V170 HydrophobicContact CG2-CG2 3.92Å; T163-Y200 PolarHBondContact N-O 2.67Å; T163-Y200 PolarHBondContact O-N 2.95Å; T163-N202 VanDerWaalsContact OG1-CG 3.26Å; T163-N202 PolarHBondContact OG1-ND2 3.35Å; T163-N202 PolarHBondContact OG1-OD1 3.46Å
164	W	97.2	Very high	94.3	Very high	6 Å²	6	65 Å²	65	2%	0.023	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	128	177.9	-68.2	56.9	0	0	0	110.6	I126 I145 I148 L149 Y152 A159 L171 M173 I197 L199	I126-W164 HydrophobicContact CD1-CH2 3.54Å; I126-W164 HydrophobicContact CD1-CZ3 3.61Å; I126-W164 HydrophobicContact CG1-CZ3 4.48Å; I145-W164 HydrophobicContact CG2-CD2 4Å; I145-W164 HydrophobicContact CG2-CE3 3.56Å; I145-W164 HydrophobicContact CG2-CG 4.41Å; I145-W164 HydrophobicContact CG2-CZ3 4.14Å; I148-W164 HydrophobicContact CG2-CH2 4.26Å; I148-W164 HydrophobicContact CG2-CZ3 3.95Å; L149-W164 HydrophobicContact CB-CH2 4.09Å; L149-W164 HydrophobicContact CB-CZ2 3.71Å; L149-W164 HydrophobicContact CD1-CZ2 3.56Å; L149-W164 HydrophobicContact CG-CZ2 4.21Å; Y152-W164 HydrophobicContact CD1-CH2 4.27Å; Y152-W164 HydrophobicContact CD1-CZ2 4.06Å; Y152-W164 HydrophobicContact CG-CH2 4.34Å; A159-W164 PolarHBondContact O-NE1 3.44Å; W164-L171 HydrophobicContact CB-CB 4.41Å; W164-L171 HydrophobicContact CB-CD1 4.24Å; W164-L171 PolarHBondContact O-N 3.12Å; W164-M173 HydrophobicContact CB-SD 4.38Å; W164-M173 HydrophobicContact CG-SD 4.28Å; W164-I197 HydrophobicContact CB-CG2 4.45Å; W164-I197 HydrophobicContact CE3-CG2 3.75Å; W164-I197 HydrophobicContact CZ3-CG2 4.4Å; W164-L199 HydrophobicContact CD2-CD2 3.68Å; W164-L199 HydrophobicContact CE3-CD2 4.5Å; W164-L199 HydrophobicContact CG-CD2 3.82Å; W164-L199 HydrophobicContact CZ2-CD2 3.76Å
165	K	97	Very high	94.4	Very high	58 Å²	58	61.6 Å²	61.6	25%	0.252	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	145.5	-179.5	-59.1	-169.5	-176.2	173.4	0	112.8	T163 V169 V170 Y198 Y200	T163-K165 HydrophobicContact CG2-CG 4.11Å; K165-V169 CarbonylContact C-O 3.52Å; K165-V169 WeakPolarHBondContact CA-O 3.44Å; K165-V169 WeakPolarHBondContact CB-O 3.36Å; K165-V170 HydrophobicContact CD-CG2 4.3Å; K165-V170 HydrophobicContact CG-CG2 4.15Å; K165-Y198 PolarHBondContact N-O 3.38Å; K165-Y198 PolarHBondContact O-N 3.47Å; K165-Y200 HydrophobicContact CB-CD2 4.25Å; K165-Y200 HydrophobicContact CB-CE2 4.03Å; K165-Y200 HydrophobicContact CD-CD2 3.7Å; K165-Y200 HydrophobicContact CD-CE2 3.7Å; K165-Y200 HydrophobicContact CG-CD2 3.91Å; K165-Y200 HydrophobicContact CG-CE2 4.08Å
166	Y	95.9	Very high	94.5	Very high	51 Å²	51	58.5 Å²	58.5	20%	0.2	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.9	168.4	180	-106	0	0	0	109.3	G168 V169 I182 P195 Q196	Y166-G168 PolarHBondContact O-N 3.29Å; Y166-G168 VanDerWaalsContact O-N 3.1Å; Y166-V169 PolarHBondContact N-O 3.48Å; Y166-V169 PolarHBondContact O-N 3.11Å; Y166-I182 HydrophobicContact CD1-CD1 4.18Å; Y166-I182 HydrophobicContact CD1-CG1 3.61Å; Y166-I182 HydrophobicContact CD2-CD1 4.04Å; Y166-I182 HydrophobicContact CD2-CG1 4.21Å; Y166-I182 HydrophobicContact CE1-CB 4.39Å; Y166-I182 HydrophobicContact CE1-CG1 3.91Å; Y166-I182 HydrophobicContact CE1-CG2 4.34Å; Y166-I182 HydrophobicContact CE2-CG2 4.17Å; Y166-I182 HydrophobicContact CG-CD1 3.78Å; Y166-I182 HydrophobicContact CG-CG1 3.75Å; Y166-P195 HydrophobicContact CE2-CB 4.1Å; Y166-Q196 WeakPolarHBondContact CD2-O 3.3Å
167	N	92.6	Very high	94.6	Very high	122 Å²	122	57.8 Å²	57.8	65%	0.652	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	39.9	-177	-70.3	-18.1	0	0	0	114	V169	N167-V169 VanDerWaalsContact C-N 3.25Å; N167-V169 PolarHBondContact O-N 2.98Å
168	G	92.5	Very high	94.7	Very high	61 Å²	61	60.7 Å²	60.7	63%	0.629	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-7.2	179.6	0	0	0	0	0	115.6	Y166	Y166-G168 PolarHBondContact O-N 3.29Å; Y166-G168 VanDerWaalsContact O-N 3.1Å
169	V	96.1	Very high	94.9	Very high	100 Å²	100	61.1 Å²	61.1	61%	0.606	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	136.1	178.6	-176.2	0	0	0	0	110	K165 Y166 N167	K165-V169 CarbonylContact C-O 3.52Å; K165-V169 WeakPolarHBondContact CA-O 3.44Å; K165-V169 WeakPolarHBondContact CB-O 3.36Å; Y166-V169 PolarHBondContact N-O 3.48Å; Y166-V169 PolarHBondContact O-N 3.11Å; N167-V169 VanDerWaalsContact C-N 3.25Å; N167-V169 PolarHBondContact O-N 2.98Å
170	V	97	Very high	95.1	Very high	86 Å²	86	62 Å²	62	52%	0.521	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.9	174.3	178.1	0	0	0	0	109.5	T163 K165	T163-V170 HydrophobicContact CG2-CG1 4.04Å; T163-V170 HydrophobicContact CG2-CG2 3.92Å; K165-V170 HydrophobicContact CD-CG2 4.3Å; K165-V170 HydrophobicContact CG-CG2 4.15Å
171	L	97.2	Very high	95.2	Very high	11 Å²	11	64.5 Å²	64.5	6%	0.058	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-78.8	142.8	178.6	-63.1	177.4	0	0	0	111	I145 W164 N180 I182 I197	I145-L171 HydrophobicContact CD1-CD1 4.18Å; I145-L171 HydrophobicContact CG1-CB 4.27Å; I145-L171 HydrophobicContact CG1-CD1 4.4Å; I145-L171 HydrophobicContact CG2-CD1 4.46Å; W164-L171 HydrophobicContact CB-CB 4.41Å; W164-L171 HydrophobicContact CB-CD1 4.24Å; W164-L171 PolarHBondContact O-N 3.12Å; L171-N180 HydrophobicContact CD2-CB 3.71Å; L171-I182 HydrophobicContact CD1-CD1 4.3Å; L171-I182 HydrophobicContact CD2-CD1 3.99Å; L171-I197 HydrophobicContact CD1-CD1 3.92Å; L171-I197 HydrophobicContact CD1-CG1 4.22Å; L171-I197 HydrophobicContact CD1-CG2 3.78Å
172	D	96.8	Very high	95.2	Very high	64 Å²	64	63.4 Å²	63.4	34%	0.342	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-82.5	120.8	169.5	-172.2	-18.4	0	0	0	108.9	E174 K175 N180	D172-E174 VanDerWaalsContact C-N 3.26Å; D172-E174 PolarHBondContact O-N 3.06Å; D172-E174 PolarHBondContact OD1-N 3.26Å; D172-K175 HydrophobicContact CB-CB 4.13Å; D172-K175 HydrophobicContact CB-CD 3.87Å; D172-K175 HydrophobicContact CB-CG 4.07Å; D172-K175 PolarHBondContact O-N 3.31Å; D172-K175 WeakPolarHBondContact OD2-CE 3.02Å; D172-K175 IonicContact OD2-NZ 2.91Å; D172-K175 PolarHBondContact OD2-NZ 2.75Å; D172-N180 PolarHBondContact N-OD1 2.62Å; D172-N180 PolarHBondContact O-ND2 3.45Å
173	M	95.3	Very high	94.9	Very high	51 Å²	51	69.4 Å²	69.4	25%	0.251	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-26.1	-171.9	-64.5	-58.1	-64.2	0	0	113.2	I145 T146 L149 W164 K175	I145-M173 HydrophobicContact CB-CE 4.2Å; I145-M173 HydrophobicContact CB-SD 4.03Å; I145-M173 HydrophobicContact CG2-CE 3.71Å; I145-M173 HydrophobicContact CG2-SD 3.53Å; I145-M173 VanDerWaalsContact CG2-SD 3.53Å; I145-M173 PolarHBondContact N-O 3.06Å; T146-M173 PolarHBondContact N-O 2.93Å; T146-M173 PolarHBondContact OG1-O 3.26Å; L149-M173 HydrophobicContact CB-CE 4.15Å; L149-M173 HydrophobicContact CD2-CE 3.95Å; W164-M173 HydrophobicContact CB-SD 4.38Å; W164-M173 HydrophobicContact CG-SD 4.28Å; M173-K175 VanDerWaalsContact C-N 3.34Å
174	E	95.7	Very high	94.1	Very high	142 Å²	142	71.9 Å²	71.9	66%	0.664	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-3.7	-178.5	-59.4	-59.1	123	0	0	113.1	T144 D172	T144-E174 WeakPolarHBondContact CG2-O 3.41Å; D172-E174 VanDerWaalsContact C-N 3.26Å; D172-E174 PolarHBondContact O-N 3.06Å; D172-E174 PolarHBondContact OD1-N 3.26Å
175	K	96.2	Very high	92.9	Very high	85 Å²	85	76.4 Å²	76.4	37%	0.37	39%	0.392	S	S	.	.	S	Bend	trans	-102.4	153.3	179.6	-74.1	-176.6	-178.3	125.4	0	111.4	T144 I145 D172 M173 E179 N180	T144-K175 WeakPolarHBondContact CA-O 3.39Å; I145-K175 WeakPolarHBondContact CG1-O 3.42Å; I145-K175 PolarHBondContact N-O 2.9Å; D172-K175 HydrophobicContact CB-CB 4.13Å; D172-K175 HydrophobicContact CB-CD 3.87Å; D172-K175 HydrophobicContact CB-CG 4.07Å; D172-K175 PolarHBondContact O-N 3.31Å; D172-K175 WeakPolarHBondContact OD2-CE 3.02Å; D172-K175 IonicContact OD2-NZ 2.91Å; D172-K175 PolarHBondContact OD2-NZ 2.75Å; M173-K175 VanDerWaalsContact C-N 3.34Å; K175-E179 WeakPolarHBondContact CA-OE2 3.35Å; K175-E179 HydrophobicContact CB-CB 3.85Å; K175-E179 WeakPolarHBondContact CB-OE2 3.46Å; K175-E179 HydrophobicContact CD-CB 4.05Å; K175-E179 HydrophobicContact CG-CB 4.12Å; K175-N180 VanDerWaalsContact CB-ND2 3.31Å; K175-N180 WeakPolarHBondContact CB-ND2 3.35Å; K175-N180 PolarHBondContact O-ND2 3Å
176	N	95.3	Very high	91.6	Very high	30 Å²	30	79.4 Å²	79.4	16%	0.16	41%	0.409	C	S	.	.	B	Isolated β-bridge	trans	-77.4	179.8	171.2	68.5	40	0	0	0	111.9	E143 E178 E179 N180	E143-N176 WeakPolarHBondContact O-CA 3.34Å; E143-N176 VanDerWaalsContact O-CB 3.25Å; E143-N176 WeakPolarHBondContact O-CB 3.06Å; N176-E178 PolarHBondContact OD1-N 2.72Å; N176-E179 PolarHBondContact N-OE2 3.22Å; N176-E179 WeakPolarHBondContact OD1-CB 3.23Å; N176-E179 VanDerWaalsContact OD1-CG 3.29Å; N176-E179 WeakPolarHBondContact OD1-CG 3.39Å; N176-E179 PolarHBondContact OD1-N 3.46Å; N176-N180 WeakPolarHBondContact O-CB 3.5Å; N176-N180 PolarHBondContact O-N 2.59Å; N176-N180 VanDerWaalsContact O-N 3.11Å; N176-N180 PolarHBondContact O-ND2 2.88Å
177	L	94.9	Very high	90	Very high	7 Å²	7	83.2 Å²	83.2	4%	0.037	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-45.4	179.7	-67.5	174.3	0	0	0	112.4	V124 V139 I145 I148 N180 N181 I182 I197	V124-L177 HydrophobicContact CG2-CD1 3.67Å; V124-L177 HydrophobicContact CG2-CD2 4.37Å; V139-L177 HydrophobicContact CG2-CD1 3.98Å; I145-L177 HydrophobicContact CD1-CD2 3.73Å; I148-L177 HydrophobicContact CD1-CD1 4.14Å; I148-L177 HydrophobicContact CD1-CD2 3.75Å; I148-L177 HydrophobicContact CD1-CG 3.85Å; L177-N180 CarbonylContact O-C 3.57Å; L177-N180 PolarHBondContact O-N 2.85Å; L177-N181 PolarHBondContact O-N 2.84Å; L177-I182 HydrophobicContact CB-CB 4.17Å; L177-I182 HydrophobicContact CD2-CD1 3.73Å; L177-I182 WeakPolarHBondContact O-CA 3.47Å; L177-I182 VanDerWaalsContact O-CB 3.26Å; L177-I182 WeakPolarHBondContact O-CB 3.43Å; L177-I182 PolarHBondContact O-N 2.78Å; L177-I197 HydrophobicContact CD2-CD1 4.05Å
178	E	93.5	Very high	88.7	Confident	145 Å²	145	83.5 Å²	83.5	68%	0.678	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-43.7	-176.9	-172.5	174.6	-172.5	0	0	111.6	N176 N180 N181	N176-E178 PolarHBondContact OD1-N 2.72Å; E178-N180 PolarHBondContact O-N 3.16Å; E178-N181 WeakPolarHBondContact O-CA 3.44Å; E178-N181 PolarHBondContact O-N 2.78Å
179	E	95.6	Very high	87.3	Confident	112 Å²	112	83.5 Å²	83.5	52%	0.523	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-27.6	175.9	-70.3	173.2	160.7	0	0	112.7	K175 N176 N181	K175-E179 WeakPolarHBondContact CA-OE2 3.35Å; K175-E179 HydrophobicContact CB-CB 3.85Å; K175-E179 WeakPolarHBondContact CB-OE2 3.46Å; K175-E179 HydrophobicContact CD-CB 4.05Å; K175-E179 HydrophobicContact CG-CB 4.12Å; N176-E179 PolarHBondContact N-OE2 3.22Å; N176-E179 WeakPolarHBondContact OD1-CB 3.23Å; N176-E179 VanDerWaalsContact OD1-CG 3.29Å; N176-E179 WeakPolarHBondContact OD1-CG 3.39Å; N176-E179 PolarHBondContact OD1-N 3.46Å; E179-N181 PolarHBondContact O-N 3.11Å
180	N	96.1	Very high	85.6	Confident	19 Å²	19	79.6 Å²	79.6	10%	0.102	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	10.7	170.1	-85.4	-66.2	0	0	0	113.7	I145 L171 D172 K175 N176 L177 E178 I182	I145-N180 WeakPolarHBondContact CG1-ND2 3.23Å; L171-N180 HydrophobicContact CD2-CB 3.71Å; D172-N180 PolarHBondContact N-OD1 2.62Å; D172-N180 PolarHBondContact O-ND2 3.45Å; K175-N180 VanDerWaalsContact CB-ND2 3.31Å; K175-N180 WeakPolarHBondContact CB-ND2 3.35Å; K175-N180 PolarHBondContact O-ND2 3Å; N176-N180 WeakPolarHBondContact O-CB 3.5Å; N176-N180 PolarHBondContact O-N 2.59Å; N176-N180 VanDerWaalsContact O-N 3.11Å; N176-N180 PolarHBondContact O-ND2 2.88Å; L177-N180 CarbonylContact O-C 3.57Å; L177-N180 PolarHBondContact O-N 2.85Å; E178-N180 PolarHBondContact O-N 3.16Å; N180-I182 VanDerWaalsContact C-N 3.26Å; N180-I182 HydrophobicContact CB-CG1 4.41Å; N180-I182 PolarHBondContact O-N 2.86Å
181	N	93.5	Very high	84.1	Confident	124 Å²	124	81.4 Å²	81.4	66%	0.663	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.6	20.6	-177.3	-53.1	-78.2	0	0	0	114.8	L177 E178 E179 K183	L177-N181 PolarHBondContact O-N 2.84Å; E178-N181 WeakPolarHBondContact O-CA 3.44Å; E178-N181 PolarHBondContact O-N 2.78Å; E179-N181 PolarHBondContact O-N 3.11Å; N181-K183 VanDerWaalsContact C-N 3.29Å; N181-K183 PolarHBondContact O-N 3.24Å
182	I	92.6	Very high	82.8	Confident	0 Å²	0	87.4 Å²	87.4	0%	0	43%	0.429	C	S	.	.			trans	-89.1	74.9	170	-47.8	-178.8	0	0	0	107.6	R122 Y166 L171 L177 N180 P195 I197	R122-I182 PolarHBondContact NH1-O 3.14Å; Y166-I182 HydrophobicContact CD1-CD1 4.18Å; Y166-I182 HydrophobicContact CD1-CG1 3.61Å; Y166-I182 HydrophobicContact CD2-CD1 4.04Å; Y166-I182 HydrophobicContact CD2-CG1 4.21Å; Y166-I182 HydrophobicContact CE1-CB 4.39Å; Y166-I182 HydrophobicContact CE1-CG1 3.91Å; Y166-I182 HydrophobicContact CE1-CG2 4.34Å; Y166-I182 HydrophobicContact CE2-CG2 4.17Å; Y166-I182 HydrophobicContact CG-CD1 3.78Å; Y166-I182 HydrophobicContact CG-CG1 3.75Å; L171-I182 HydrophobicContact CD1-CD1 4.3Å; L171-I182 HydrophobicContact CD2-CD1 3.99Å; L177-I182 HydrophobicContact CB-CB 4.17Å; L177-I182 HydrophobicContact CD2-CD1 3.73Å; L177-I182 WeakPolarHBondContact O-CA 3.47Å; L177-I182 VanDerWaalsContact O-CB 3.26Å; L177-I182 WeakPolarHBondContact O-CB 3.43Å; L177-I182 PolarHBondContact O-N 2.78Å; N180-I182 VanDerWaalsContact C-N 3.26Å; N180-I182 HydrophobicContact CB-CG1 4.41Å; N180-I182 PolarHBondContact O-N 2.86Å; I182-P195 HydrophobicContact CG2-CB 3.5Å; I182-P195 HydrophobicContact CG2-CG 4.15Å; I182-I197 HydrophobicContact CD1-CD1 4.1Å; I182-I197 HydrophobicContact CD1-CG1 4.23Å
183	K	87.1	Confident	81.8	Confident	150 Å²	150	91.3 Å²	91.3	65%	0.652	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-60.6	145.5	-175.1	-66	-173.8	179.3	-177.1	0	111.6	R122 N181	R122-K183 PolarHBondContact NH1-O 3.21Å; R122-K183 PolarHBondContact NH2-O 3Å; N181-K183 VanDerWaalsContact C-N 3.29Å; N181-K183 PolarHBondContact O-N 3.24Å
184	E	78.1	Confident	81.3	Confident	86 Å²	86	90.5 Å²	90.5	40%	0.402	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-68.9	132.4	169.3	-155.4	174	-140.6	0	0	109.4	K120 E190	K120-E184 WeakPolarHBondContact CD-OE1 3.38Å; K120-E184 WeakPolarHBondContact CE-OE1 3.33Å; K120-E184 IonicContact NZ-OE1 3.73Å; K120-E184 PolarHBondContact NZ-OE1 3.25Å; K120-E184 IonicContact NZ-OE2 2.72Å; K120-E184 PolarHBondContact NZ-OE2 2.87Å; E184-E190 WeakPolarHBondContact CG-OE1 3.38Å
185	E	72.4	Confident	81.1	Confident	100 Å²	100	84.1 Å²	84.1	47%	0.467	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-100	172.2	171.7	-61.6	-143.7	-175.9	0	0	110	I189 E190	E185-I189 HydrophobicContact CB-CB 4.28Å; E185-I189 HydrophobicContact CB-CG2 4.4Å; E185-I189 WeakPolarHBondContact OE2-CG2 3.33Å; E185-E190 HydrophobicContact CB-CG 3.81Å; E185-E190 PolarHBondContact N-OE1 2.87Å
186	I	69.3	Low	81	Confident	121 Å²	121	82.4 Å²	82.4	62%	0.621	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-64.3	140	175.8	-40.1	175.5	0	0	0	107.4	D188 I189 E190	I186-D188 VanDerWaalsContact C-N 3.26Å; I186-D188 PolarHBondContact O-N 2.71Å; I186-D188 VanDerWaalsContact O-N 3.09Å; I186-I189 HydrophobicContact CB-CD1 4.19Å; I186-I189 HydrophobicContact CB-CG1 4.36Å; I186-I189 HydrophobicContact CD1-CD1 4.07Å; I186-I189 HydrophobicContact CG1-CD1 4.13Å; I186-I189 WeakPolarHBondContact O-CA 3.25Å; I186-I189 WeakPolarHBondContact O-CB 3.37Å; I186-I189 PolarHBondContact O-N 2.81Å; I186-E190 PolarHBondContact O-N 3.39Å; I186-E190 VanDerWaalsContact O-N 3.1Å
187	Q	62.3	Low	81.1	Confident	131 Å²	131	81 Å²	81	61%	0.612	40%	0.396	S	S	*	.	H	α-helix	trans	-50.9	-41.7	-170	-168.5	163.5	0.9	0	0	113.8	I189 E190 D191	Q187-I189 PolarHBondContact O-N 3.22Å; Q187-E190 PolarHBondContact O-N 2.82Å; Q187-D191 PolarHBondContact O-N 3.16Å
188	D	65.1	Low	81.1	Confident	129 Å²	129	84 Å²	84	69%	0.69	41%	0.407	S	S	*	.	H	α-helix	trans	-60.9	-28.6	176.6	-63.5	-23.7	0	0	0	113.5	I186 L192	I186-D188 VanDerWaalsContact C-N 3.26Å; I186-D188 PolarHBondContact O-N 2.71Å; I186-D188 VanDerWaalsContact O-N 3.09Å; D188-L192 WeakPolarHBondContact O-CD1 3.46Å
189	I	64.1	Low	81.3	Confident	60 Å²	60	77 Å²	77	31%	0.308	38%	0.375	S	S	.	.	H	α-helix	trans	-85.4	-35.4	179	-53	175.9	0	0	0	110.4	E185 I186 Q187 D191 L192 F193	E185-I189 HydrophobicContact CB-CB 4.28Å; E185-I189 HydrophobicContact CB-CG2 4.4Å; E185-I189 WeakPolarHBondContact OE2-CG2 3.33Å; I186-I189 HydrophobicContact CB-CD1 4.19Å; I186-I189 HydrophobicContact CB-CG1 4.36Å; I186-I189 HydrophobicContact CD1-CD1 4.07Å; I186-I189 HydrophobicContact CG1-CD1 4.13Å; I186-I189 WeakPolarHBondContact O-CA 3.25Å; I186-I189 WeakPolarHBondContact O-CB 3.37Å; I186-I189 PolarHBondContact O-N 2.81Å; Q187-I189 PolarHBondContact O-N 3.22Å; I189-D191 VanDerWaalsContact C-N 3.31Å; I189-D191 PolarHBondContact O-N 3.16Å; I189-L192 CarbonylContact O-C 3.55Å; I189-L192 PolarHBondContact O-N 3.25Å; I189-F193 HydrophobicContact CG2-CB 4.35Å; I189-F193 HydrophobicContact CG2-CD2 3.78Å; I189-F193 HydrophobicContact CG2-CG 4.49Å; I189-F193 PolarHBondContact O-N 3.27Å
190	E	58.6	Low	81.2	Confident	18 Å²	18	76.1 Å²	76.1	8%	0.084	37%	0.367	C	S	.	.	H	α-helix	trans	-63.4	-36.5	179.3	-64.7	-161.8	135.2	0	0	112.8	R122 E184 E185 I186 Q187 L192 F193 M194	R122-E190 IonicContact CZ-OE1 2.68Å; R122-E190 IonicContact NE-OE1 2.75Å; R122-E190 PolarHBondContact NE-OE1 3.04Å; R122-E190 IonicContact NE-OE2 3.47Å; R122-E190 IonicContact NH2-OE1 3.07Å; R122-E190 PolarHBondContact NH2-OE1 3.32Å; E184-E190 WeakPolarHBondContact CG-OE1 3.38Å; E185-E190 HydrophobicContact CB-CG 3.81Å; E185-E190 PolarHBondContact N-OE1 2.87Å; I186-E190 PolarHBondContact O-N 3.39Å; I186-E190 VanDerWaalsContact O-N 3.1Å; Q187-E190 PolarHBondContact O-N 2.82Å; E190-L192 PolarHBondContact O-N 3.02Å; E190-F193 CarbonylContact O-C 3.37Å; E190-F193 PolarHBondContact O-N 3.3Å; E190-M194 WeakPolarHBondContact O-CA 3.46Å; E190-M194 PolarHBondContact O-N 3.35Å
191	D	66.8	Low	80.9	Confident	125 Å²	125	80 Å²	80	67%	0.668	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.5	174.6	-72.6	-15	0	0	0	112	Q187 I189	Q187-D191 PolarHBondContact O-N 3.16Å; I189-D191 VanDerWaalsContact C-N 3.31Å; I189-D191 PolarHBondContact O-N 3.16Å
192	L	69.1	Low	80.6	Confident	137 Å²	137	76.9 Å²	76.9	72%	0.717	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-32.1	174.7	-90.8	91.6	0	0	0	113.5	D188 I189 E190	D188-L192 WeakPolarHBondContact O-CD1 3.46Å; I189-L192 CarbonylContact O-C 3.55Å; I189-L192 PolarHBondContact O-N 3.25Å; E190-L192 PolarHBondContact O-N 3.02Å
193	F	75.3	Confident	79.8	Confident	145 Å²	145	84.1 Å²	84.1	64%	0.636	40%	0.403	S	S	*	.	S	Bend	trans	-133.2	57.3	-169.8	-66.3	-81.1	0	0	0	110.9	I189 E190	I189-F193 HydrophobicContact CG2-CB 4.35Å; I189-F193 HydrophobicContact CG2-CD2 3.78Å; I189-F193 HydrophobicContact CG2-CG 4.49Å; I189-F193 PolarHBondContact O-N 3.27Å; E190-F193 CarbonylContact O-C 3.37Å; E190-F193 PolarHBondContact O-N 3.3Å
194	M	86.5	Confident	78.8	Confident	35 Å²	35	79.4 Å²	79.4	17%	0.172	39%	0.385	C	S	.	.			trans	-55.4	131.2	174.3	-169.2	-176.8	-59.1	0	0	110	F123 R125 E136 E190 Q196	F123-M194 HydrophobicContact CB-CE 3.44Å; F123-M194 VanDerWaalsContact CB-CE 3.44Å; F123-M194 HydrophobicContact CB-CG 4.14Å; F123-M194 HydrophobicContact CB-SD 3.67Å; F123-M194 HydrophobicContact CG-CE 4.2Å; F123-M194 WeakPolarHBondContact O-CG 3.44Å; R125-M194 HydrophobicContact CB-CG 4.38Å; R125-M194 HydrophobicContact CB-SD 3.87Å; R125-M194 PolarHBondContact N-SD 2.73Å; R125-M194 VanDerWaalsContact N-SD 3.44Å; E136-M194 HydrophobicContact CB-SD 4.31Å; E136-M194 HydrophobicContact CG-CE 4.27Å; E136-M194 HydrophobicContact CG-SD 4Å; E190-M194 WeakPolarHBondContact O-CA 3.46Å; E190-M194 PolarHBondContact O-N 3.35Å; M194-Q196 PolarHBondContact O-N 3.45Å
195	P	91.4	Very high	77.9	Confident	7 Å²	7	83.9 Å²	83.9	5%	0.045	41%	0.411	C	S	.	.			trans	-60	129.4	178.9	25	-34.8	0	0	0	110.2	V124 R125 Y166 I182	V124-P195 WeakPolarHBondContact CG1-O 3.44Å; V124-P195 HydrophobicContact CG2-CG 4.21Å; R125-P195 PolarHBondContact N-O 3.34Å; Y166-P195 HydrophobicContact CE2-CB 4.1Å; I182-P195 HydrophobicContact CG2-CB 3.5Å; I182-P195 HydrophobicContact CG2-CG 4.15Å
196	Q	93.5	Very high	77	Confident	49 Å²	49	83.5 Å²	83.5	23%	0.229	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	113.4	-177.8	-170	173	-6.9	0	0	111.3	R125 F127 Y166 M194 Y198	R125-Q196 HydrophobicContact CB-CG 4.43Å; R125-Q196 HydrophobicContact CG-CG 4.46Å; R125-Q196 CarbonylContact O-C 3.3Å; R125-Q196 WeakPolarHBondContact O-CA 3.04Å; F127-Q196 HydrophobicContact CB-CG 4.33Å; Y166-Q196 WeakPolarHBondContact CD2-O 3.3Å; M194-Q196 PolarHBondContact O-N 3.45Å; Q196-Y198 HydrophobicContact CB-CE2 4.16Å; Q196-Y198 VanDerWaalsContact CD-OH 3.23Å; Q196-Y198 HydrophobicContact CG-CD2 4.4Å; Q196-Y198 HydrophobicContact CG-CE1 4.47Å; Q196-Y198 HydrophobicContact CG-CE2 3.79Å; Q196-Y198 PolarHBondContact NE2-OH 2.92Å; Q196-Y198 PolarHBondContact OE1-OH 2.92Å
197	I	96.3	Very high	75.9	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	131.5	174.6	-59.4	-179.8	0	0	0	109	V124 R125 I126 F127 W164 L171 L177 I182	V124-I197 HydrophobicContact CG1-CB 4.48Å; V124-I197 HydrophobicContact CG1-CD1 3.57Å; V124-I197 HydrophobicContact CG1-CG1 3.75Å; R125-I197 PolarHBondContact O-N 2.74Å; I126-I197 CarbonylContact C-O 3.59Å; I126-I197 WeakPolarHBondContact CA-O 3.47Å; F127-I197 PolarHBondContact N-O 3.34Å; W164-I197 HydrophobicContact CB-CG2 4.45Å; W164-I197 HydrophobicContact CE3-CG2 3.75Å; W164-I197 HydrophobicContact CZ3-CG2 4.4Å; L171-I197 HydrophobicContact CD1-CD1 3.92Å; L171-I197 HydrophobicContact CD1-CG1 4.22Å; L171-I197 HydrophobicContact CD1-CG2 3.78Å; L177-I197 HydrophobicContact CD2-CD1 4.05Å; I182-I197 HydrophobicContact CD1-CD1 4.1Å; I182-I197 HydrophobicContact CD1-CG1 4.23Å
198	Y	96.7	Very high	74.6	Confident	70 Å²	70	87.7 Å²	87.7	28%	0.275	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.3	-178.8	-67.1	-95.5	0	0	0	110.6	F127 T129 K165 Q196	F127-Y198 HydrophobicContact CB-CD1 4.09Å; F127-Y198 HydrophobicContact CB-CE1 4.28Å; F127-Y198 AromaticContact CD1-CD1 3.71Å; F127-Y198 HydrophobicContact CD1-CD1 3.71Å; F127-Y198 AromaticContact CD1-CE1 3.87Å; F127-Y198 HydrophobicContact CD1-CE1 3.87Å; F127-Y198 HydrophobicContact CG-CD1 4.24Å; F127-Y198 HydrophobicContact CG-CE1 4.24Å; T129-Y198 HydrophobicContact CG2-CD1 3.98Å; K165-Y198 PolarHBondContact N-O 3.38Å; K165-Y198 PolarHBondContact O-N 3.47Å; Q196-Y198 HydrophobicContact CB-CE2 4.16Å; Q196-Y198 VanDerWaalsContact CD-OH 3.23Å; Q196-Y198 HydrophobicContact CG-CD2 4.4Å; Q196-Y198 HydrophobicContact CG-CE1 4.47Å; Q196-Y198 HydrophobicContact CG-CE2 3.79Å; Q196-Y198 PolarHBondContact NE2-OH 2.92Å; Q196-Y198 PolarHBondContact OE1-OH 2.92Å
199	L	95.9	Very high	75	Confident	0 Å²	0	85.7 Å²	85.7	0%	0	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	125	173.1	-67.1	157.9	0	0	0	109.6	I126 F127 N128 T129 Y152 Y162 W164	I126-L199 HydrophobicContact CG2-CD1 3.28Å; I126-L199 HydrophobicContact CG2-CG 3.85Å; F127-L199 PolarHBondContact O-N 3.08Å; N128-L199 HydrophobicContact CB-CD1 4.29Å; T129-L199 WeakPolarHBondContact CB-O 3.05Å; T129-L199 WeakPolarHBondContact CG2-O 3.28Å; T129-L199 PolarHBondContact N-O 2.84Å; T129-L199 VanDerWaalsContact N-O 3.13Å; T129-L199 PolarHBondContact OG1-O 2.85Å; Y152-L199 HydrophobicContact CD1-CD1 4.07Å; Y152-L199 HydrophobicContact CE1-CD1 3.22Å; Y152-L199 VanDerWaalsContact CZ-CD1 3.49Å; Y152-L199 WeakPolarHBondContact OH-CD1 3.49Å; Y162-L199 HydrophobicContact CD1-CB 3.8Å; Y162-L199 HydrophobicContact CG-CB 4.38Å; Y162-L199 HydrophobicContact CG-CD2 4.47Å; W164-L199 HydrophobicContact CD2-CD2 3.68Å; W164-L199 HydrophobicContact CE3-CD2 4.5Å; W164-L199 HydrophobicContact CG-CD2 3.82Å; W164-L199 HydrophobicContact CZ2-CD2 3.76Å
200	Y	93.9	Very high	75.6	Confident	92 Å²	92	87 Å²	87	36%	0.361	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	124.2	173.6	-67.4	-91.3	0	0	0	109.3	T129 Y162 T163 K165 N202	T129-Y200 HydrophobicContact CG2-CD1 4.35Å; T129-Y200 HydrophobicContact CG2-CE1 4Å; T129-Y200 HydrophobicContact CG2-CE2 4.48Å; Y162-Y200 CarbonylContact C-O 3.57Å; Y162-Y200 WeakPolarHBondContact CA-O 3.14Å; T163-Y200 PolarHBondContact N-O 2.67Å; T163-Y200 PolarHBondContact O-N 2.95Å; K165-Y200 HydrophobicContact CB-CD2 4.25Å; K165-Y200 HydrophobicContact CB-CE2 4.03Å; K165-Y200 HydrophobicContact CD-CD2 3.7Å; K165-Y200 HydrophobicContact CD-CE2 3.7Å; K165-Y200 HydrophobicContact CG-CD2 3.91Å; K165-Y200 HydrophobicContact CG-CE2 4.08Å; Y200-N202 PolarHBondContact O-N 2.84Å
201	Y	90.9	Very high	76.6	Confident	100 Å²	100	90.8 Å²	90.8	39%	0.392	48%	0.479	S	S	.	.			trans	-62.4	127.8	174.9	-178.9	-105.8	0	0	0	109.3	L130 Y162 D203	L130-Y201 HydrophobicContact CD2-CD1 4.38Å; L130-Y201 HydrophobicContact CD2-CD2 4.06Å; L130-Y201 HydrophobicContact CD2-CG 3.87Å; Y162-Y201 HydrophobicContact CE1-CD2 4.14Å; Y162-Y201 HydrophobicContact CE1-CG 4.48Å; Y162-Y201 AromaticContact CE2-CD2 3.93Å; Y162-Y201 HydrophobicContact CE2-CD2 3.93Å; Y162-Y201 AromaticContact CZ-CD2 3.71Å; Y201-D203 HydrophobicContact CE1-CB 4.34Å
202	N	87.5	Confident	77.1	Confident	60 Å²	60	88.8 Å²	88.8	32%	0.321	47%	0.468	S	S	.	.			trans	-86.2	135.1	165.7	-64.8	-35.1	0	0	0	106.5	S161 T163 Y200 D204	S161-N202 WeakPolarHBondContact O-CB 3.46Å; S161-N202 PolarHBondContact O-ND2 3.11Å; T163-N202 VanDerWaalsContact OG1-CG 3.26Å; T163-N202 PolarHBondContact OG1-ND2 3.35Å; T163-N202 PolarHBondContact OG1-OD1 3.46Å; Y200-N202 PolarHBondContact O-N 2.84Å; N202-D204 PolarHBondContact O-N 3.11Å
203	D	75.4	Confident	77.6	Confident	151 Å²	151	85.8 Å²	85.8	81%	0.807	45%	0.453	S	S	*	.			trans	-80	66.5	174.8	-157.8	9.1	0	0	0	108.6	Y201	Y201-D203 HydrophobicContact CE1-CB 4.34Å
204	D	65.2	Low	77.8	Confident	52 Å²	52	81.9 Å²	81.9	28%	0.278	44%	0.44	S	S	.	.			trans	-91.8	124	171.9	37.1	16.7	0	0	0	109.3	S161 N202 T206	S161-D204 WeakPolarHBondContact CB-OD2 3.33Å; N202-D204 PolarHBondContact O-N 3.11Å; D204-T206 PolarHBondContact O-N 2.81Å
205	L	59	Low	77.2	Confident	179 Å²	179	85.2 Å²	85.2	94%	0.937	46%	0.46	S	S	*	.			trans	-67.2	28.3	175.1	-85.1	161.1	0	0	0	113.1	E207	L205-E207 PolarHBondContact O-N 3.18Å; L205-E207 VanDerWaalsContact O-N 3.16Å
206	T	53.8	Low	76.1	Confident	93 Å²	93	91.2 Å²	91.2	57%	0.571	49%	0.491	S	S	*	.			trans	-80	96.2	173.6	39.6	0	0	0	0	108.9	D204	D204-T206 PolarHBondContact O-N 2.81Å
207	E	46.4	Very low	74.6	Confident	165 Å²	165	94.8 Å²	94.8	77%	0.771	51%	0.513	S	S	*	.			trans	101.8	96.2	163.9	-54.4	-169.4	170.8	0	0	117.2	L205	L205-E207 PolarHBondContact O-N 3.18Å; L205-E207 VanDerWaalsContact O-N 3.16Å
208	A	34.4	Very low	72.7	Confident	175 Å²	175	103.4 Å²	103.4	100%	1.446	56%	0.56	S	S	*	*			trans	-95	0	140.7	0	0	0	0	0	109.3

Retrieved 208 of 208 residues in 43.2 ms (Link to these results)

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