A0A3B3TT71_9TELE Loading...

Phosphatidylglycerophosphatase and protein-tyrosine phosphatase 1

Lipid phosphatase which dephosphorylates phosphatidylglycerophosphate (PGP) to phosphatidylglycerol (PG). PGP is an essential intermediate in the biosynthetic pathway of cardiolipin, a mitochondrial-specific phospholipid regulating the membrane integrity and activities of the organelle. Has also been shown to display phosphatase activity toward phosphoprotein substrates, specifically mediates dephosphorylation of mitochondrial proteins, thereby playing an essential role in ATP production. Has probably a preference for proteins phosphorylated on Ser and/or Thr residues compared to proteins phosphorylated on Tyr residues. Probably involved in regulation of insulin secretion in pancreatic beta cells. May prevent intrinsic apoptosis, probably by regulating mitochondrial membrane integrity.

AlphaFold DB , UniProt , Accession A0A3B3TT71, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 182 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	46.8	Very low	62	Low	151 Å²	151	83.3 Å²	83.3	74%	0.744	47%	0.466	S	S	*	.				0	128.2	0	-74.3	-176.4	65.1	0	0	108.5	G3 L5 L93	M1-G3 PolarHBondContact O-N 3.24Å; M1-L5 HydrophobicContact CE-CD2 3.36Å; M1-L5 HydrophobicContact CE-CG 3.97Å; M1-L93 HydrophobicContact CB-CD2 4.43Å; M1-L93 WeakPolarHBondContact O-CD2 3.21Å
2	S	52.4	Low	63.2	Low	91 Å²	91	82.9 Å²	82.9	64%	0.636	47%	0.47	S	S	*	.			trans	-56.1	133.3	-174.3	-27.7	0	0	0	0	111.5	A4 L5	S2-A4 PolarHBondContact O-N 3.23Å; S2-L5 PolarHBondContact O-N 2.85Å
3	G	59.1	Low	63.8	Low	45 Å²	45	81.3 Å²	81.3	46%	0.464	46%	0.463	S	S	.	.	H	α-helix	trans	-55.2	-22.9	-176.9	0	0	0	0	0	114.8	M1 R7	M1-G3 PolarHBondContact O-N 3.24Å; G3-R7 WeakPolarHBondContact O-CG 3.23Å; G3-R7 PolarHBondContact O-N 2.88Å
4	A	62.6	Low	64.3	Low	71 Å²	71	76.1 Å²	76.1	59%	0.587	43%	0.433	S	S	*	.	H	α-helix	trans	-65.5	-38.9	172.8	0	0	0	0	0	113.4	S2 R7 L8	S2-A4 PolarHBondContact O-N 3.23Å; A4-R7 PolarHBondContact O-N 3.21Å; A4-L8 PolarHBondContact O-N 3.03Å
5	L	62.4	Low	64.8	Low	77 Å²	77	75.1 Å²	75.1	40%	0.403	44%	0.438	S	S	.	.	H	α-helix	trans	-72.1	-36	-179.8	-174.7	58.1	0	0	0	111.4	M1 S2 R7 L8 L9	M1-L5 HydrophobicContact CE-CD2 3.36Å; M1-L5 HydrophobicContact CE-CG 3.97Å; S2-L5 PolarHBondContact O-N 2.85Å; L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 3.18Å; L5-L8 PolarHBondContact O-N 3.42Å; L5-L9 HydrophobicContact CD1-CD1 4.14Å; L5-L9 HydrophobicContact CD1-CG 4.28Å; L5-L9 HydrophobicContact CG-CD1 4.17Å; L5-L9 WeakPolarHBondContact O-CG 3.11Å; L5-L9 PolarHBondContact O-N 3.29Å; L5-L9 VanDerWaalsContact O-N 3.07Å
6	A	60.7	Low	65.2	Low	35 Å²	35	78 Å²	78	29%	0.289	44%	0.44	S	S	.	.	H	α-helix	trans	-61.5	-40.1	172.6	0	0	0	0	0	111.9	F10	A6-F10 WeakPolarHBondContact O-CB 3.25Å; A6-F10 PolarHBondContact O-N 2.88Å; A6-F10 VanDerWaalsContact O-N 3.15Å
7	R	64.6	Low	65.5	Low	141 Å²	141	74.9 Å²	74.9	53%	0.532	42%	0.423	S	S	.	.	H	α-helix	trans	-66.2	-42.8	175.5	-70.6	171.1	-175.7	171.4	3.5	112.5	G3 A4 L5 F10 Y66	G3-R7 WeakPolarHBondContact O-CG 3.23Å; G3-R7 PolarHBondContact O-N 2.88Å; A4-R7 PolarHBondContact O-N 3.21Å; L5-R7 VanDerWaalsContact C-N 3.32Å; L5-R7 PolarHBondContact O-N 3.18Å; R7-F10 WeakPolarHBondContact O-CB 3.5Å; R7-F10 PolarHBondContact O-N 3.05Å; R7-Y66 HydrophobicContact CG-CD1 4.39Å; R7-Y66 HydrophobicContact CG-CD2 3.88Å; R7-Y66 HydrophobicContact CG-CE1 4.25Å; R7-Y66 HydrophobicContact CG-CE2 3.77Å; R7-Y66 HydrophobicContact CG-CG 4.22Å
8	L	67.1	Low	65.9	Low	126 Å²	126	72.9 Å²	72.9	66%	0.66	41%	0.412	S	S	*	.	H	α-helix	trans	-66.3	-40.8	-178.8	-170.2	132.6	0	0	0	112.1	A4 L5 F10 P12	A4-L8 PolarHBondContact O-N 3.03Å; L5-L8 PolarHBondContact O-N 3.42Å; L8-F10 VanDerWaalsContact C-N 3.33Å; L8-P12 VanDerWaalsContact O-CD 3.25Å; L8-P12 WeakPolarHBondContact O-CD 3.19Å
9	L	68.8	Low	66.1	Low	83 Å²	83	74.4 Å²	74.4	44%	0.435	42%	0.418	S	S	.	.	H	α-helix	trans	-79.6	-13.4	178.8	-64.9	174.8	0	0	0	113.6	L5 T13	L5-L9 HydrophobicContact CD1-CD1 4.14Å; L5-L9 HydrophobicContact CD1-CG 4.28Å; L5-L9 HydrophobicContact CG-CD1 4.17Å; L5-L9 WeakPolarHBondContact O-CG 3.11Å; L5-L9 PolarHBondContact O-N 3.29Å; L5-L9 VanDerWaalsContact O-N 3.07Å; L9-T13 WeakPolarHBondContact O-CG2 3.44Å; L9-T13 PolarHBondContact O-N 3.49Å; L9-T13 PolarHBondContact O-OG1 2.98Å
10	F	68.8	Low	66.1	Low	5 Å²	5	72.5 Å²	72.5	2%	0.022	41%	0.406	C	S	.	.	H	α-helix	trans	-62	-50.2	-175.7	176.6	-92.8	0	0	0	112.9	A6 R7 L8 T13 L14 L41 E67 K124	A6-F10 WeakPolarHBondContact O-CB 3.25Å; A6-F10 PolarHBondContact O-N 2.88Å; A6-F10 VanDerWaalsContact O-N 3.15Å; R7-F10 WeakPolarHBondContact O-CB 3.5Å; R7-F10 PolarHBondContact O-N 3.05Å; L8-F10 VanDerWaalsContact C-N 3.33Å; F10-T13 PolarHBondContact O-OG1 3.48Å; F10-T13 VanDerWaalsContact O-OG1 3.12Å; F10-L14 HydrophobicContact CE1-CB 4.5Å; F10-L14 HydrophobicContact CE1-CD2 3.87Å; F10-L14 HydrophobicContact CZ-CD2 4.22Å; F10-L14 WeakPolarHBondContact O-CB 3.32Å; F10-L14 PolarHBondContact O-N 3.32Å; F10-L41 HydrophobicContact CZ-CD1 4.08Å; F10-E67 HydrophobicContact CD2-CB 4.19Å; F10-E67 HydrophobicContact CD2-CG 3.66Å; F10-E67 WeakPolarHBondContact CD2-OE1 3.4Å; F10-E67 HydrophobicContact CE1-CB 4.28Å; F10-E67 HydrophobicContact CE2-CB 3.39Å; F10-E67 HydrophobicContact CE2-CG 3.31Å; F10-E67 WeakPolarHBondContact CE2-OE1 3.43Å; F10-E67 HydrophobicContact CG-CG 4.49Å; F10-E67 HydrophobicContact CZ-CB 3.46Å; F10-E67 VanDerWaalsContact CZ-CB 3.46Å; F10-E67 HydrophobicContact CZ-CG 3.92Å; F10-E67 VanDerWaalsContact CZ-O 3.23Å; F10-E67 WeakPolarHBondContact CZ-O 3.32Å; F10-K124 HydrophobicContact CD2-CD 3.51Å; F10-K124 HydrophobicContact CE2-CB 4.38Å; F10-K124 HydrophobicContact CE2-CD 3.09Å; F10-K124 HydrophobicContact CE2-CG 3.91Å; F10-K124 HydrophobicContact CG-CD 4.43Å; F10-K124 HydrophobicContact CZ-CD 3.74Å; F10-K124 HydrophobicContact CZ-CG 4.29Å; F10-K124 PolarHBondContact O-NZ 3.41Å
11	Y	69.3	Low	66.3	Low	91 Å²	91	72.2 Å²	72.2	36%	0.357	40%	0.402	S	S	.	.	H	α-helix	trans	-70.2	-45.3	-174.7	-63	-81.2	0	0	0	113.4	T13 L14 A15 Y70 F71	Y11-T13 VanDerWaalsContact C-N 3.3Å; Y11-T13 PolarHBondContact O-N 3.17Å; Y11-L14 PolarHBondContact O-N 2.79Å; Y11-L14 VanDerWaalsContact O-N 3.16Å; Y11-A15 PolarHBondContact O-N 3.18Å; Y11-Y70 WeakPolarHBondContact OH-CD2 3.48Å; Y11-Y70 WeakPolarHBondContact OH-CE2 3.3Å; Y11-F71 HydrophobicContact CD1-CE2 4.03Å; Y11-F71 AromaticContact CE1-CE2 3.84Å; Y11-F71 HydrophobicContact CE1-CE2 3.84Å
12	P	75.9	Confident	67	Low	79 Å²	79	72.9 Å²	72.9	51%	0.513	40%	0.4	S	S	.	.	H	α-helix	trans	-58.9	-41.4	174.9	-25.6	35	0	0	0	112.6	L8 A15 Y16	L8-P12 VanDerWaalsContact O-CD 3.25Å; L8-P12 WeakPolarHBondContact O-CD 3.19Å; P12-A15 PolarHBondContact O-N 3.19Å; P12-Y16 PolarHBondContact O-N 3.23Å
13	T	70.6	Confident	67.5	Low	62 Å²	62	73.8 Å²	73.8	38%	0.38	40%	0.402	S	S	.	.	H	α-helix	trans	-77.2	-22.8	179.1	53.8	0	0	0	0	112.9	L9 F10 Y11 N17 K124	L9-T13 WeakPolarHBondContact O-CG2 3.44Å; L9-T13 PolarHBondContact O-N 3.49Å; L9-T13 PolarHBondContact O-OG1 2.98Å; F10-T13 PolarHBondContact O-OG1 3.48Å; F10-T13 VanDerWaalsContact O-OG1 3.12Å; Y11-T13 VanDerWaalsContact C-N 3.3Å; Y11-T13 PolarHBondContact O-N 3.17Å; T13-N17 VanDerWaalsContact O-CG 3.24Å; T13-N17 PolarHBondContact O-N 3.29Å; T13-N17 VanDerWaalsContact O-N 3.13Å; T13-N17 PolarHBondContact O-ND2 3.48Å; T13-N17 VanDerWaalsContact O-ND2 3.13Å; T13-K124 PolarHBondContact OG1-NZ 3.07Å
14	L	71.8	Confident	67.8	Low	8 Å²	8	73.6 Å²	73.6	4%	0.042	39%	0.394	C	S	.	.	H	α-helix	trans	-70.1	-45.5	167.6	178.3	60.4	0	0	0	111	F10 Y11 Y16 N17 V18 L41 F71 K124	F10-L14 HydrophobicContact CE1-CB 4.5Å; F10-L14 HydrophobicContact CE1-CD2 3.87Å; F10-L14 HydrophobicContact CZ-CD2 4.22Å; F10-L14 WeakPolarHBondContact O-CB 3.32Å; F10-L14 PolarHBondContact O-N 3.32Å; Y11-L14 PolarHBondContact O-N 2.79Å; Y11-L14 VanDerWaalsContact O-N 3.16Å; L14-Y16 VanDerWaalsContact C-N 3.27Å; L14-Y16 PolarHBondContact O-N 2.74Å; L14-N17 WeakPolarHBondContact O-CA 3.44Å; L14-N17 WeakPolarHBondContact O-CB 3.32Å; L14-N17 PolarHBondContact O-N 3.01Å; L14-V18 PolarHBondContact O-N 2.94Å; L14-L41 HydrophobicContact CD1-CD1 3.71Å; L14-L41 HydrophobicContact CD2-CD1 3.84Å; L14-L41 HydrophobicContact CG-CD1 4.45Å; L14-F71 HydrophobicContact CD2-CD2 4.2Å; L14-F71 HydrophobicContact CD2-CE2 4.37Å; L14-K124 HydrophobicContact CB-CD 4.38Å; L14-K124 HydrophobicContact CD1-CG 4.11Å
15	A	70.6	Confident	68	Low	61 Å²	61	75.8 Å²	75.8	50%	0.504	40%	0.404	S	S	.	.	H	α-helix	trans	-58.8	-41	174.6	0	0	0	0	0	111.3	Y11 P12 N17 V18 L19	Y11-A15 PolarHBondContact O-N 3.18Å; P12-A15 PolarHBondContact O-N 3.19Å; A15-N17 VanDerWaalsContact C-N 3.35Å; A15-N17 PolarHBondContact O-N 3.29Å; A15-V18 PolarHBondContact O-N 3.4Å; A15-L19 WeakPolarHBondContact O-CB 3.43Å; A15-L19 PolarHBondContact O-N 3.21Å
16	Y	72.2	Confident	68.7	Low	122 Å²	122	75.6 Å²	75.6	48%	0.478	40%	0.399	S	S	.	.	H	α-helix	trans	-58.3	-42.9	170.6	178.4	-98.2	0	0	0	112.4	P12 L14 V18 L19 M20	P12-Y16 PolarHBondContact O-N 3.23Å; L14-Y16 VanDerWaalsContact C-N 3.27Å; L14-Y16 PolarHBondContact O-N 2.74Å; Y16-V18 PolarHBondContact O-N 3.01Å; Y16-L19 PolarHBondContact O-N 2.74Å; Y16-M20 HydrophobicContact CD1-CG 3.93Å; Y16-M20 HydrophobicContact CD2-CG 4.17Å; Y16-M20 HydrophobicContact CE1-CG 3.5Å; Y16-M20 HydrophobicContact CE1-SD 4.39Å; Y16-M20 HydrophobicContact CE2-CG 3.75Å; Y16-M20 HydrophobicContact CE2-SD 3.83Å; Y16-M20 HydrophobicContact CG-CG 4.25Å; Y16-M20 WeakPolarHBondContact O-CB 3.26Å; Y16-M20 WeakPolarHBondContact O-CG 3.23Å; Y16-M20 PolarHBondContact O-N 3.01Å
17	N	70.3	Confident	70	Confident	26 Å²	26	80.4 Å²	80.4	14%	0.139	41%	0.409	C	S	.	.	H	α-helix	trans	-63	-41.9	176.9	-67.9	-35.4	0	0	0	112.4	T13 L14 A15 M20 E21	T13-N17 VanDerWaalsContact O-CG 3.24Å; T13-N17 PolarHBondContact O-N 3.29Å; T13-N17 VanDerWaalsContact O-N 3.13Å; T13-N17 PolarHBondContact O-ND2 3.48Å; T13-N17 VanDerWaalsContact O-ND2 3.13Å; L14-N17 WeakPolarHBondContact O-CA 3.44Å; L14-N17 WeakPolarHBondContact O-CB 3.32Å; L14-N17 PolarHBondContact O-N 3.01Å; A15-N17 VanDerWaalsContact C-N 3.35Å; A15-N17 PolarHBondContact O-N 3.29Å; N17-M20 PolarHBondContact O-N 3.2Å; N17-E21 PolarHBondContact O-N 3.4Å
18	V	71.8	Confident	71.2	Confident	39 Å²	39	74.6 Å²	74.6	24%	0.236	39%	0.387	C	S	.	.	H	α-helix	trans	-63.5	-44.6	175.6	175.4	0	0	0	0	110.9	L14 A15 Y16 M20 E21 K22 W28 F43	L14-V18 PolarHBondContact O-N 2.94Å; A15-V18 PolarHBondContact O-N 3.4Å; Y16-V18 PolarHBondContact O-N 3.01Å; V18-M20 VanDerWaalsContact C-N 3.34Å; V18-M20 PolarHBondContact O-N 2.98Å; V18-E21 PolarHBondContact O-N 3.15Å; V18-K22 PolarHBondContact O-N 3.1Å; V18-W28 HydrophobicContact CG2-CH2 3.75Å; V18-W28 HydrophobicContact CG2-CZ3 3.97Å; V18-F43 HydrophobicContact CG2-CE2 4.34Å; V18-F43 HydrophobicContact CG2-CZ 3.96Å
19	L	69.9	Low	72.6	Confident	100 Å²	100	70 Å²	70	52%	0.524	36%	0.362	S	S	.	.	H	α-helix	trans	-60.9	-45.4	175.6	-175	71.9	0	0	0	111	A15 Y16 E21 K22 V23	A15-L19 WeakPolarHBondContact O-CB 3.43Å; A15-L19 PolarHBondContact O-N 3.21Å; Y16-L19 PolarHBondContact O-N 2.74Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 3.44Å; L19-K22 PolarHBondContact O-N 3.43Å; L19-K22 VanDerWaalsContact O-N 3.17Å; L19-V23 HydrophobicContact CD1-CG2 4Å; L19-V23 HydrophobicContact CG-CG2 4.19Å; L19-V23 WeakPolarHBondContact O-CB 3.48Å; L19-V23 VanDerWaalsContact O-CG2 3.27Å; L19-V23 WeakPolarHBondContact O-CG2 3.42Å; L19-V23 PolarHBondContact O-N 3.36Å
20	M	66.8	Low	73.9	Confident	36 Å²	36	66.6 Å²	66.6	18%	0.177	34%	0.344	C	S	.	.	H	α-helix	trans	-65.6	-34.7	179.4	-72.3	-54.5	-56.9	0	0	112.3	Y16 N17 V18 S24	Y16-M20 HydrophobicContact CD1-CG 3.93Å; Y16-M20 HydrophobicContact CD2-CG 4.17Å; Y16-M20 HydrophobicContact CE1-CG 3.5Å; Y16-M20 HydrophobicContact CE1-SD 4.39Å; Y16-M20 HydrophobicContact CE2-CG 3.75Å; Y16-M20 HydrophobicContact CE2-SD 3.83Å; Y16-M20 HydrophobicContact CG-CG 4.25Å; Y16-M20 WeakPolarHBondContact O-CB 3.26Å; Y16-M20 WeakPolarHBondContact O-CG 3.23Å; Y16-M20 PolarHBondContact O-N 3.01Å; N17-M20 PolarHBondContact O-N 3.2Å; V18-M20 VanDerWaalsContact C-N 3.34Å; V18-M20 PolarHBondContact O-N 2.98Å; M20-S24 VanDerWaalsContact O-CB 3.28Å; M20-S24 WeakPolarHBondContact O-CB 3.43Å; M20-S24 PolarHBondContact O-N 3.03Å; M20-S24 PolarHBondContact O-OG 3.09Å
21	E	69.9	Low	75.3	Confident	67 Å²	67	71.3 Å²	71.3	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-60	-45.7	171.1	-179.9	-130.3	-175.4	0	0	111.2	N17 V18 L19 S24 R26 W28	N17-E21 PolarHBondContact O-N 3.4Å; V18-E21 PolarHBondContact O-N 3.15Å; L19-E21 VanDerWaalsContact C-N 3.33Å; L19-E21 PolarHBondContact O-N 3.44Å; E21-S24 VanDerWaalsContact O-O 3.13Å; E21-R26 WeakPolarHBondContact CA-O 3.37Å; E21-R26 VanDerWaalsContact CG-O 3.3Å; E21-R26 WeakPolarHBondContact CG-O 3.48Å; E21-W28 HydrophobicContact CB-CE3 3.95Å; E21-W28 HydrophobicContact CB-CZ3 4.21Å; E21-W28 VanDerWaalsContact CD-CE3 3.46Å; E21-W28 HydrophobicContact CG-CB 4.45Å; E21-W28 HydrophobicContact CG-CE3 3.72Å; E21-W28 HydrophobicContact CG-CZ3 4.44Å
22	K	62.3	Low	76.6	Confident	165 Å²	165	67.6 Å²	67.6	72%	0.717	35%	0.349	S	S	*	.	H	α-helix	trans	-72.6	-29.6	-178.9	-66.8	-169.8	179.3	-169.7	0	114.6	V18 L19	V18-K22 PolarHBondContact O-N 3.1Å; L19-K22 PolarHBondContact O-N 3.43Å; L19-K22 VanDerWaalsContact O-N 3.17Å
23	V	61.5	Low	77.6	Confident	110 Å²	110	65.5 Å²	65.5	67%	0.667	33%	0.333	S	S	*	.	H	α-helix	trans	-101.1	-14	-171.7	178.7	0	0	0	0	112.4	L19	L19-V23 HydrophobicContact CD1-CG2 4Å; L19-V23 HydrophobicContact CG-CG2 4.19Å; L19-V23 WeakPolarHBondContact O-CB 3.48Å; L19-V23 VanDerWaalsContact O-CG2 3.27Å; L19-V23 WeakPolarHBondContact O-CG2 3.42Å; L19-V23 PolarHBondContact O-N 3.36Å
24	S	65.5	Low	78.8	Confident	42 Å²	42	69.7 Å²	69.7	29%	0.294	35%	0.349	S	S	.	.	S	Bend	trans	-123.2	174.9	178.9	75.9	0	0	0	0	112.1	M20 E21 R26	M20-S24 VanDerWaalsContact O-CB 3.28Å; M20-S24 WeakPolarHBondContact O-CB 3.43Å; M20-S24 PolarHBondContact O-N 3.03Å; M20-S24 PolarHBondContact O-OG 3.09Å; E21-S24 VanDerWaalsContact O-O 3.13Å; S24-R26 PolarHBondContact O-N 3.2Å; S24-R26 WeakPolarHBondContact OG-CB 3.37Å; S24-R26 WeakPolarHBondContact OG-CD 3.38Å; S24-R26 WeakPolarHBondContact OG-CG 3.36Å; S24-R26 PolarHBondContact OG-N 2.62Å
25	S	66.6	Low	80.1	Confident	116 Å²	116	69.6 Å²	69.6	81%	0.811	35%	0.348	S	S	*	.	S	Bend	trans	-71.2	11.9	173.6	57	0	0	0	0	114.3	R27	S25-R27 PolarHBondContact O-N 2.99Å
26	R	77.4	Confident	81.4	Confident	74 Å²	74	66.8 Å²	66.8	28%	0.279	33%	0.325	S	S	.	.			trans	-78.5	103.6	-176.5	-72.1	176.2	-175.1	174.7	5.9	110.8	E21 S24	E21-R26 WeakPolarHBondContact CA-O 3.37Å; E21-R26 VanDerWaalsContact CG-O 3.3Å; E21-R26 WeakPolarHBondContact CG-O 3.48Å; S24-R26 PolarHBondContact O-N 3.2Å; S24-R26 WeakPolarHBondContact OG-CB 3.37Å; S24-R26 WeakPolarHBondContact OG-CD 3.38Å; S24-R26 WeakPolarHBondContact OG-CG 3.36Å; S24-R26 PolarHBondContact OG-N 2.62Å
27	R	87.3	Confident	82.6	Confident	135 Å²	135	61 Å²	61	51%	0.509	30%	0.302	S	S	.	.			trans	-66.1	142.7	172.8	-59.4	-179.3	-61.9	-95.4	0.2	111.3	S25 F29 D30 I156 R157	S25-R27 PolarHBondContact O-N 2.99Å; R27-F29 VanDerWaalsContact C-N 3.35Å; R27-F29 PolarHBondContact O-N 3.27Å; R27-D30 IonicContact CZ-OD1 3.09Å; R27-D30 IonicContact NE-OD1 3.06Å; R27-D30 PolarHBondContact NE-OD1 3.16Å; R27-D30 IonicContact NH2-OD1 2.94Å; R27-D30 PolarHBondContact NH2-OD1 3.4Å; R27-D30 IonicContact NH2-OD2 2.99Å; R27-I156 PolarHBondContact NH2-O 2.98Å; R27-R157 PolarHBondContact O-NH1 3.01Å; R27-R157 PolarHBondContact O-NH2 3.37Å
28	W	91.1	Very high	84	Confident	19 Å²	19	59.7 Å²	59.7	7%	0.072	30%	0.295	C	S	.	.	S	Bend	trans	-60	-44.6	-178.8	-165.8	-99.3	0	0	0	112.5	V18 E21 G39 A40 L41 F43 M46 R157	V18-W28 HydrophobicContact CG2-CH2 3.75Å; V18-W28 HydrophobicContact CG2-CZ3 3.97Å; E21-W28 HydrophobicContact CB-CE3 3.95Å; E21-W28 HydrophobicContact CB-CZ3 4.21Å; E21-W28 VanDerWaalsContact CD-CE3 3.46Å; E21-W28 HydrophobicContact CG-CB 4.45Å; E21-W28 HydrophobicContact CG-CE3 3.72Å; E21-W28 HydrophobicContact CG-CZ3 4.44Å; W28-G39 WeakPolarHBondContact O-CA 3.42Å; W28-A40 HydrophobicContact CD2-CB 3.92Å; W28-A40 HydrophobicContact CE3-CB 4.33Å; W28-A40 HydrophobicContact CG-CB 4.41Å; W28-A40 HydrophobicContact CH2-CB 4.13Å; W28-A40 HydrophobicContact CZ2-CB 3.7Å; W28-A40 HydrophobicContact CZ3-CB 4.43Å; W28-A40 PolarHBondContact O-N 2.84Å; W28-L41 VanDerWaalsContact CE2-O 3.31Å; W28-L41 WeakPolarHBondContact CZ2-O 3.35Å; W28-L41 PolarHBondContact NE1-O 3.44Å; W28-F43 AromaticContact CE2-CE2 3.93Å; W28-F43 HydrophobicContact CH2-CD2 4.32Å; W28-F43 AromaticContact CH2-CE2 3.27Å; W28-F43 HydrophobicContact CH2-CE2 3.27Å; W28-F43 AromaticContact CH2-CZ 3.51Å; W28-F43 HydrophobicContact CH2-CZ 3.51Å; W28-F43 AromaticContact CZ2-CD2 3.78Å; W28-F43 HydrophobicContact CZ2-CD2 3.78Å; W28-F43 HydrophobicContact CZ2-CE1 4.42Å; W28-F43 AromaticContact CZ2-CE2 3.12Å; W28-F43 HydrophobicContact CZ2-CE2 3.12Å; W28-F43 AromaticContact CZ2-CZ 3.52Å; W28-F43 HydrophobicContact CZ2-CZ 3.52Å; W28-F43 HydrophobicContact CZ3-CE2 4.15Å; W28-M46 VanDerWaalsContact CD1-SD 3.6Å; W28-M46 HydrophobicContact CG-CE 4.04Å; W28-M46 HydrophobicContact CG-SD 4.42Å; W28-M46 PolarHBondContact NE1-SD 3.21Å; W28-M46 VanDerWaalsContact NE1-SD 3.41Å; W28-R157 PolarHBondContact O-NH2 2.91Å
29	F	95.8	Very high	85	Confident	30 Å²	30	57.9 Å²	57.9	13%	0.132	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162.3	174.4	65.8	-98.6	0	0	0	111	R27 I37 L38 M46 L50 E54 Y120	R27-F29 VanDerWaalsContact C-N 3.35Å; R27-F29 PolarHBondContact O-N 3.27Å; F29-I37 HydrophobicContact CB-CG2 3.98Å; F29-I37 HydrophobicContact CD2-CG2 3.44Å; F29-I37 VanDerWaalsContact CD2-CG2 3.44Å; F29-I37 HydrophobicContact CE2-CG2 4.2Å; F29-I37 HydrophobicContact CG-CG2 3.99Å; F29-L38 CarbonylContact C-O 3.46Å; F29-L38 VanDerWaalsContact CA-O 3.25Å; F29-L38 WeakPolarHBondContact CA-O 3.41Å; F29-M46 HydrophobicContact CD1-CE 3.68Å; F29-M46 HydrophobicContact CE1-CE 3.67Å; F29-L50 HydrophobicContact CE1-CD2 4.31Å; F29-L50 HydrophobicContact CZ-CD2 4.45Å; F29-E54 HydrophobicContact CE2-CG 4.33Å; F29-E54 HydrophobicContact CZ-CG 4.34Å; F29-Y120 HydrophobicContact CB-CE2 3.65Å; F29-Y120 HydrophobicContact CD1-CE2 4.08Å; F29-Y120 HydrophobicContact CD2-CE2 4.5Å; F29-Y120 AromaticContact CG-CE2 3.85Å; F29-Y120 HydrophobicContact CG-CE2 3.85Å
30	D	96.6	Very high	86.1	Confident	12 Å²	12	53.3 Å²	53.3	6%	0.064	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	133.2	176.6	-69.7	-70.4	0	0	0	109.6	R27 L38 I156 R157	R27-D30 IonicContact CZ-OD1 3.09Å; R27-D30 IonicContact NE-OD1 3.06Å; R27-D30 PolarHBondContact NE-OD1 3.16Å; R27-D30 IonicContact NH2-OD1 2.94Å; R27-D30 PolarHBondContact NH2-OD1 3.4Å; R27-D30 IonicContact NH2-OD2 2.99Å; D30-L38 PolarHBondContact N-O 3.47Å; D30-L38 PolarHBondContact O-N 3.16Å; D30-I156 HydrophobicContact CB-CG2 3.98Å; D30-R157 HydrophobicContact CB-CB 4.38Å; D30-R157 WeakPolarHBondContact OD2-CD 3.34Å; D30-R157 WeakPolarHBondContact OD2-CG 3.42Å; D30-R157 IonicContact OD2-CZ 3.66Å; D30-R157 IonicContact OD2-NE 3.23Å; D30-R157 IonicContact OD2-NH1 3.33Å; D30-R157 PolarHBondContact OD2-NH1 3.23Å
31	R	97.4	Very high	87.2	Confident	103 Å²	103	51.6 Å²	51.6	39%	0.389	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	125	170	-174.9	170.6	-77	-125.1	-7.5	108.8	D33 I37 E54	R31-D33 WeakPolarHBondContact CD-O 3.43Å; R31-D33 WeakPolarHBondContact CG-O 3.39Å; R31-I37 HydrophobicContact CB-CG1 4.35Å; R31-I37 HydrophobicContact CG-CG1 4.27Å; R31-E54 IonicContact CZ-OE2 2.68Å; R31-E54 IonicContact NE-OE2 3.94Å; R31-E54 PolarHBondContact NE-OE2 3.12Å; R31-E54 VanDerWaalsContact NH2-CA 3.32Å; R31-E54 PolarHBondContact NH2-O 2.91Å; R31-E54 IonicContact NH2-OE2 3.68Å; R31-E54 PolarHBondContact NH2-OE2 3.12Å
32	V	97.5	Very high	88.3	Confident	14 Å²	14	48.4 Å²	48.4	9%	0.085	24%	0.237	C	C	.	.			trans	-91.9	-43.5	-174.1	178.7	0	0	0	0	110.4	V36 L38 V134 L138 L153 I156	V32-V36 HydrophobicContact CB-CG1 4.45Å; V32-V36 WeakPolarHBondContact CB-O 3.31Å; V32-V36 PolarHBondContact N-O 3.5Å; V32-L38 HydrophobicContact CG2-CB 3.87Å; V32-V134 HydrophobicContact CB-CG1 4.44Å; V32-V134 HydrophobicContact CG1-CG1 4.05Å; V32-V134 HydrophobicContact CG2-CG1 4.02Å; V32-L138 HydrophobicContact CG1-CD1 4.18Å; V32-L138 HydrophobicContact CG1-CD2 4.15Å; V32-L138 HydrophobicContact CG1-CG 4.5Å; V32-L153 HydrophobicContact CG1-CD1 3.98Å; V32-L153 HydrophobicContact CG2-CD1 3.78Å; V32-I156 HydrophobicContact CG1-CD1 4.03Å
33	D	96.9	Very high	89.6	Confident	34 Å²	34	42.7 Å²	42.7	18%	0.182	21%	0.212	C	C	.	.	S	Bend	trans	-149.6	-163.6	171.6	73.8	-9.6	0	0	0	109.9	R31 T35 V36 R113 Y137	R31-D33 WeakPolarHBondContact CD-O 3.43Å; R31-D33 WeakPolarHBondContact CG-O 3.39Å; D33-T35 PolarHBondContact O-N 2.94Å; D33-T35 PolarHBondContact OD1-N 2.73Å; D33-V36 PolarHBondContact OD1-N 3.31Å; D33-R113 IonicContact OD2-NH1 3.1Å; D33-R113 PolarHBondContact OD2-NH1 2.91Å; D33-Y137 WeakPolarHBondContact OD2-CE1 3.45Å; D33-Y137 PolarHBondContact OD2-OH 3.22Å
34	E	95.9	Very high	91	Very high	151 Å²	151	42 Å²	42	71%	0.706	20%	0.198	S	C	*	.	S	Bend	trans	-60.9	-24.5	178.9	-63.3	173.7	171.7	0	0	113.5	S118	E34-S118 PolarHBondContact O-OG 2.69Å
35	T	97.9	Very high	92.2	Very high	6 Å²	6	45.1 Å²	45.1	4%	0.037	22%	0.22	C	C	.	.	S	Bend	trans	-106.4	-50.8	-174.1	-51.9	0	0	0	0	112	D33 R113 S118 V119	D33-T35 PolarHBondContact O-N 2.94Å; D33-T35 PolarHBondContact OD1-N 2.73Å; T35-R113 HydrophobicContact CG2-CB 3.77Å; T35-R113 WeakPolarHBondContact OG1-CB 3.37Å; T35-R113 VanDerWaalsContact OG1-CG 3.32Å; T35-R113 WeakPolarHBondContact OG1-CG 3.3Å; T35-R113 PolarHBondContact OG1-NH1 3.24Å; T35-R113 VanDerWaalsContact OG1-NH1 3.17Å; T35-S118 CarbonylContact O-C 3.53Å; T35-S118 WeakPolarHBondContact O-CA 3.36Å; T35-S118 VanDerWaalsContact O-CB 3.24Å; T35-S118 WeakPolarHBondContact O-CB 3.29Å; T35-V119 HydrophobicContact CG2-CG2 4.49Å; T35-V119 PolarHBondContact O-N 3.35Å
36	V	98.5	Very high	93.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	131.9	-164.5	173.8	0	0	0	0	111.7	V32 D33 A109 V121 V134 Y137	V32-V36 HydrophobicContact CB-CG1 4.45Å; V32-V36 WeakPolarHBondContact CB-O 3.31Å; V32-V36 PolarHBondContact N-O 3.5Å; D33-V36 PolarHBondContact OD1-N 3.31Å; V36-A109 HydrophobicContact CG2-CB 4.2Å; V36-V121 HydrophobicContact CG1-CG2 4.06Å; V36-V134 HydrophobicContact CG1-CB 4.47Å; V36-V134 HydrophobicContact CG1-CG1 3.98Å; V36-V134 HydrophobicContact CG1-CG2 3.74Å; V36-Y137 HydrophobicContact CB-CD1 4.33Å; V36-Y137 HydrophobicContact CB-CE1 4.08Å; V36-Y137 HydrophobicContact CG2-CD1 3.73Å; V36-Y137 HydrophobicContact CG2-CD2 4.16Å; V36-Y137 HydrophobicContact CG2-CE1 3.51Å; V36-Y137 HydrophobicContact CG2-CE2 3.94Å; V36-Y137 HydrophobicContact CG2-CG 4.05Å
37	I	98.5	Very high	94.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.5	171.9	-56.8	171.9	0	0	0	108.3	F29 R31 E54 V56 V119 Y120 V121	F29-I37 HydrophobicContact CB-CG2 3.98Å; F29-I37 HydrophobicContact CD2-CG2 3.44Å; F29-I37 VanDerWaalsContact CD2-CG2 3.44Å; F29-I37 HydrophobicContact CE2-CG2 4.2Å; F29-I37 HydrophobicContact CG-CG2 3.99Å; R31-I37 HydrophobicContact CB-CG1 4.35Å; R31-I37 HydrophobicContact CG-CG1 4.27Å; I37-E54 HydrophobicContact CD1-CB 3.64Å; I37-E54 HydrophobicContact CD1-CG 4.08Å; I37-V56 HydrophobicContact CD1-CG2 3.89Å; I37-V119 PolarHBondContact N-O 2.84Å; I37-Y120 HydrophobicContact CB-CD2 3.99Å; I37-Y120 HydrophobicContact CG2-CD2 3.62Å; I37-Y120 HydrophobicContact CG2-CE2 3.81Å; I37-V121 PolarHBondContact O-N 2.99Å
38	L	97.8	Very high	94.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.9	178.7	174.4	58.4	0	0	0	110.5	F29 D30 V32 S130 A131 V134 L153 I160	F29-L38 CarbonylContact C-O 3.46Å; F29-L38 VanDerWaalsContact CA-O 3.25Å; F29-L38 WeakPolarHBondContact CA-O 3.41Å; D30-L38 PolarHBondContact N-O 3.47Å; D30-L38 PolarHBondContact O-N 3.16Å; V32-L38 HydrophobicContact CG2-CB 3.87Å; L38-S130 VanDerWaalsContact CD1-OG 3.3Å; L38-S130 WeakPolarHBondContact CD1-OG 3.43Å; L38-A131 HydrophobicContact CD2-CB 4.05Å; L38-V134 HydrophobicContact CB-CG2 4.26Å; L38-V134 HydrophobicContact CD1-CG2 4.06Å; L38-L153 HydrophobicContact CD2-CD1 3.83Å; L38-L153 HydrophobicContact CD2-CD2 3.95Å; L38-L153 HydrophobicContact CD2-CG 4.09Å; L38-I160 HydrophobicContact CD2-CG2 4.08Å
39	G	94.4	Very high	95.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	176.5	-177	0	0	0	0	0	117	W28 Y120 V121 H122 G126	W28-G39 WeakPolarHBondContact O-CA 3.42Å; G39-Y120 WeakPolarHBondContact CA-OH 3.4Å; G39-V121 PolarHBondContact N-O 3.28Å; G39-V121 VanDerWaalsContact N-O 3.13Å; G39-H122 WeakPolarHBondContact O-CA 3.31Å; G39-H122 WeakPolarHBondContact O-CB 3.49Å; G39-G126 VanDerWaalsContact C-CA 3.48Å; G39-G126 WeakPolarHBondContact O-CA 3.45Å; G39-G126 PolarHBondContact O-N 3.26Å
40	A	92.2	Very high	95.2	Very high	4 Å²	4	40 Å²	40	3%	0.033	19%	0.193	C	C	.	.	S	Bend	trans	-76.1	-175.8	168.1	0	0	0	0	0	111.2	W28 Y120 K124	W28-A40 HydrophobicContact CD2-CB 3.92Å; W28-A40 HydrophobicContact CE3-CB 4.33Å; W28-A40 HydrophobicContact CG-CB 4.41Å; W28-A40 HydrophobicContact CH2-CB 4.13Å; W28-A40 HydrophobicContact CZ2-CB 3.7Å; W28-A40 HydrophobicContact CZ3-CB 4.43Å; W28-A40 PolarHBondContact O-N 2.84Å; A40-Y120 WeakPolarHBondContact O-CE1 3.33Å; A40-Y120 PolarHBondContact O-OH 3.46Å; A40-K124 WeakPolarHBondContact CB-O 3.35Å
41	L	90.9	Very high	95.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.195	C	C	.	.			trans	-51.4	126.3	-178.3	-71	174.1	0	0	0	111.8	F10 L14 W28 F43 T68 C123 K124	F10-L41 HydrophobicContact CZ-CD1 4.08Å; L14-L41 HydrophobicContact CD1-CD1 3.71Å; L14-L41 HydrophobicContact CD2-CD1 3.84Å; L14-L41 HydrophobicContact CG-CD1 4.45Å; W28-L41 VanDerWaalsContact CE2-O 3.31Å; W28-L41 WeakPolarHBondContact CZ2-O 3.35Å; W28-L41 PolarHBondContact NE1-O 3.44Å; L41-F43 PolarHBondContact O-N 3.34Å; L41-F43 VanDerWaalsContact O-N 3.15Å; L41-T68 HydrophobicContact CD2-CG2 4.1Å; L41-C123 WeakPolarHBondContact CD2-O 3.49Å; L41-K124 HydrophobicContact CD1-CG 4.44Å; L41-K124 PolarHBondContact N-O 2.99Å
42	P	91.8	Very high	95.2	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.206	C	C	.	.			trans	-77.5	102.4	176.5	30.1	-31.6	0	0	0	109.2	L50 C72 W78 Y120 H122	P42-L50 HydrophobicContact CB-CD1 3.83Å; P42-C72 WeakPolarHBondContact O-CA 3.3Å; P42-W78 HydrophobicContact CB-CH2 4.23Å; P42-W78 HydrophobicContact CB-CZ2 3.92Å; P42-W78 HydrophobicContact CG-CZ2 3.78Å; P42-Y120 HydrophobicContact CB-CD1 4.24Å; P42-Y120 HydrophobicContact CB-CE1 3.83Å; P42-Y120 HydrophobicContact CG-CD1 4.29Å; P42-Y120 HydrophobicContact CG-CE1 4.04Å; P42-H122 VanDerWaalsContact CD-CE1 3.47Å; P42-H122 WeakPolarHBondContact CD-CE1 3.49Å; P42-H122 WeakPolarHBondContact CD-ND1 3.47Å
43	F	90.1	Very high	95.2	Very high	45 Å²	45	46 Å²	46	20%	0.197	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-65.3	149.4	175	-63	-52.6	0	0	0	110.8	V18 W28 L41 S45 M46 F71	V18-F43 HydrophobicContact CG2-CE2 4.34Å; V18-F43 HydrophobicContact CG2-CZ 3.96Å; W28-F43 AromaticContact CE2-CE2 3.93Å; W28-F43 HydrophobicContact CH2-CD2 4.32Å; W28-F43 AromaticContact CH2-CE2 3.27Å; W28-F43 HydrophobicContact CH2-CE2 3.27Å; W28-F43 AromaticContact CH2-CZ 3.51Å; W28-F43 HydrophobicContact CH2-CZ 3.51Å; W28-F43 AromaticContact CZ2-CD2 3.78Å; W28-F43 HydrophobicContact CZ2-CD2 3.78Å; W28-F43 HydrophobicContact CZ2-CE1 4.42Å; W28-F43 AromaticContact CZ2-CE2 3.12Å; W28-F43 HydrophobicContact CZ2-CE2 3.12Å; W28-F43 AromaticContact CZ2-CZ 3.52Å; W28-F43 HydrophobicContact CZ2-CZ 3.52Å; W28-F43 HydrophobicContact CZ3-CE2 4.15Å; L41-F43 PolarHBondContact O-N 3.34Å; L41-F43 VanDerWaalsContact O-N 3.15Å; F43-S45 PolarHBondContact O-N 3.37Å; F43-S45 VanDerWaalsContact O-N 3.08Å; F43-M46 HydrophobicContact CB-CG 4.2Å; F43-M46 HydrophobicContact CB-SD 4.26Å; F43-M46 HydrophobicContact CD2-SD 4.17Å; F43-M46 WeakPolarHBondContact O-CA 3.48Å; F43-M46 VanDerWaalsContact O-CB 3.31Å; F43-M46 WeakPolarHBondContact O-CB 3.32Å; F43-M46 PolarHBondContact O-N 3.49Å; F43-F71 WeakPolarHBondContact CA-O 3.21Å; F43-F71 HydrophobicContact CD1-CB 3.82Å; F43-F71 HydrophobicContact CE1-CB 3.92Å; F43-F71 HydrophobicContact CE1-CG 4.41Å
44	R	91.3	Very high	95.2	Very high	96 Å²	96	45.9 Å²	45.9	36%	0.362	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-52.2	-35.2	177.5	-61.8	-164.3	174.3	76.7	5.1	113	M46 T47 Y70 F71 C72 N73 E77	R44-M46 PolarHBondContact O-N 3.09Å; R44-T47 WeakPolarHBondContact O-CB 3.42Å; R44-T47 PolarHBondContact O-N 3.01Å; R44-T47 PolarHBondContact O-OG1 2.96Å; R44-Y70 PolarHBondContact NH1-O 2.78Å; R44-F71 PolarHBondContact N-O 2.88Å; R44-F71 VanDerWaalsContact N-O 3.16Å; R44-C72 VanDerWaalsContact CZ-O 3.25Å; R44-C72 PolarHBondContact NH2-O 2.84Å; R44-N73 WeakPolarHBondContact CG-OD1 3.41Å; R44-E77 IonicContact CZ-OE1 3.81Å; R44-E77 IonicContact CZ-OE2 3.82Å; R44-E77 IonicContact NE-OE1 3Å; R44-E77 PolarHBondContact NE-OE1 3.19Å; R44-E77 IonicContact NE-OE2 2.73Å; R44-E77 PolarHBondContact NE-OE2 2.94Å; R44-E77 IonicContact NH2-OE1 3.63Å; R44-E77 IonicContact NH2-OE2 3.92Å; R44-E77 PolarHBondContact NH2-OE2 2.78Å
45	S	91.3	Very high	95.3	Very high	108 Å²	108	41.8 Å²	41.8	76%	0.755	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-62.8	-23.4	176.4	53.6	0	0	0	0	113.9	F43	F43-S45 PolarHBondContact O-N 3.37Å; F43-S45 VanDerWaalsContact O-N 3.08Å
46	M	94.4	Very high	95.3	Very high	21 Å²	21	41.5 Å²	41.5	10%	0.103	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-86.1	-11.7	-179.8	-58	177.6	70.4	0	0	113	W28 F29 F43 R44 K48 Q49 L50	W28-M46 VanDerWaalsContact CD1-SD 3.6Å; W28-M46 HydrophobicContact CG-CE 4.04Å; W28-M46 HydrophobicContact CG-SD 4.42Å; W28-M46 PolarHBondContact NE1-SD 3.21Å; W28-M46 VanDerWaalsContact NE1-SD 3.41Å; F29-M46 HydrophobicContact CD1-CE 3.68Å; F29-M46 HydrophobicContact CE1-CE 3.67Å; F43-M46 HydrophobicContact CB-CG 4.2Å; F43-M46 HydrophobicContact CB-SD 4.26Å; F43-M46 HydrophobicContact CD2-SD 4.17Å; F43-M46 WeakPolarHBondContact O-CA 3.48Å; F43-M46 VanDerWaalsContact O-CB 3.31Å; F43-M46 WeakPolarHBondContact O-CB 3.32Å; F43-M46 PolarHBondContact O-N 3.49Å; R44-M46 PolarHBondContact O-N 3.09Å; M46-K48 VanDerWaalsContact C-N 3.27Å; M46-K48 PolarHBondContact O-N 3.43Å; M46-Q49 PolarHBondContact O-N 3.24Å; M46-Q49 VanDerWaalsContact O-N 3.11Å; M46-L50 HydrophobicContact CB-CD1 4.25Å; M46-L50 HydrophobicContact CB-CG 4.43Å; M46-L50 WeakPolarHBondContact O-CG 3.41Å; M46-L50 PolarHBondContact O-N 3.11Å
47	T	95.3	Very high	95.3	Very high	22 Å²	22	45.5 Å²	45.5	14%	0.135	23%	0.227	C	C	.	.	H	α-helix	trans	-52.5	-46.3	-174.8	-49.4	0	0	0	0	111.9	R44 Q49 L50 V51 N73 W78 A81	R44-T47 WeakPolarHBondContact O-CB 3.42Å; R44-T47 PolarHBondContact O-N 3.01Å; R44-T47 PolarHBondContact O-OG1 2.96Å; T47-Q49 PolarHBondContact O-N 3.01Å; T47-L50 PolarHBondContact O-N 3.06Å; T47-V51 HydrophobicContact CG2-CG2 4.31Å; T47-V51 WeakPolarHBondContact O-CB 3.03Å; T47-V51 WeakPolarHBondContact O-CG2 3.42Å; T47-V51 PolarHBondContact O-N 3.47Å; T47-N73 PolarHBondContact OG1-ND2 3.34Å; T47-W78 HydrophobicContact CG2-CE3 4.44Å; T47-W78 HydrophobicContact CG2-CZ3 3.95Å; T47-A81 HydrophobicContact CG2-CB 3.8Å
48	K	95.9	Very high	95.3	Very high	138 Å²	138	45.5 Å²	45.5	60%	0.6	23%	0.227	S	C	*	.	H	α-helix	trans	-60.9	-48.1	-179.7	-170.1	178.1	180	178.4	0	111.8	M46 L50 V51 E52	M46-K48 VanDerWaalsContact C-N 3.27Å; M46-K48 PolarHBondContact O-N 3.43Å; K48-L50 PolarHBondContact O-N 2.73Å; K48-V51 PolarHBondContact O-N 2.98Å; K48-E52 WeakPolarHBondContact CE-OE1 3.38Å; K48-E52 WeakPolarHBondContact CE-OE2 3.26Å; K48-E52 VanDerWaalsContact CG-CD 3.45Å; K48-E52 HydrophobicContact CG-CG 4.2Å; K48-E52 WeakPolarHBondContact CG-OE1 3.37Å; K48-E52 WeakPolarHBondContact CG-OE2 3.41Å; K48-E52 IonicContact NZ-OE2 3.92Å; K48-E52 VanDerWaalsContact O-CB 3.3Å; K48-E52 WeakPolarHBondContact O-CB 3.2Å; K48-E52 PolarHBondContact O-N 3.4Å
49	Q	96.6	Very high	95.3	Very high	86 Å²	86	45.5 Å²	45.5	40%	0.402	23%	0.227	S	C	.	.	I	π-helix	trans	-60.6	-46.3	177.4	-178.9	-174.8	-4.1	0	0	111.3	M46 T47 V51 T53 E54	M46-Q49 PolarHBondContact O-N 3.24Å; M46-Q49 VanDerWaalsContact O-N 3.11Å; T47-Q49 PolarHBondContact O-N 3.01Å; Q49-V51 PolarHBondContact O-N 3.29Å; Q49-T53 WeakPolarHBondContact O-CA 3.24Å; Q49-T53 WeakPolarHBondContact O-CB 3.42Å; Q49-T53 PolarHBondContact O-N 3.46Å; Q49-E54 PolarHBondContact O-N 2.9Å; Q49-E54 VanDerWaalsContact O-N 3.14Å
50	L	97.3	Very high	95.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.227	C	C	.	.	I	π-helix	trans	-63.3	-43.4	-179.2	-67.6	175	0	0	0	111.7	F29 P42 M46 T47 K48 E54 N55 V56 W78 Y120	F29-L50 HydrophobicContact CE1-CD2 4.31Å; F29-L50 HydrophobicContact CZ-CD2 4.45Å; P42-L50 HydrophobicContact CB-CD1 3.83Å; M46-L50 HydrophobicContact CB-CD1 4.25Å; M46-L50 HydrophobicContact CB-CG 4.43Å; M46-L50 WeakPolarHBondContact O-CG 3.41Å; M46-L50 PolarHBondContact O-N 3.11Å; T47-L50 PolarHBondContact O-N 3.06Å; K48-L50 PolarHBondContact O-N 2.73Å; L50-E54 CarbonylContact O-C 3.58Å; L50-E54 WeakPolarHBondContact O-CB 3.31Å; L50-E54 PolarHBondContact O-N 3.32Å; L50-N55 PolarHBondContact O-N 3.13Å; L50-V56 HydrophobicContact CB-CB 4.22Å; L50-V56 HydrophobicContact CB-CG2 4.14Å; L50-V56 HydrophobicContact CD2-CG2 4.41Å; L50-V56 WeakPolarHBondContact O-CB 3.36Å; L50-V56 VanDerWaalsContact O-CG2 3.26Å; L50-V56 WeakPolarHBondContact O-CG2 3.5Å; L50-V56 PolarHBondContact O-N 3.19Å; L50-W78 HydrophobicContact CD1-CH2 4.02Å; L50-Y120 HydrophobicContact CD1-CD2 4.32Å; L50-Y120 HydrophobicContact CD1-CE2 4.44Å; L50-Y120 HydrophobicContact CD1-CG 4.44Å; L50-Y120 HydrophobicContact CD2-CD2 3.51Å; L50-Y120 HydrophobicContact CD2-CE2 3.65Å; L50-Y120 HydrophobicContact CD2-CG 4.32Å
51	V	97.7	Very high	95.5	Very high	17 Å²	17	45.4 Å²	45.4	10%	0.103	23%	0.226	C	C	.	.	I	π-helix	trans	-78.1	-48.6	-176.2	175.2	0	0	0	0	112.1	T47 K48 Q49 N55 A81 V83	T47-V51 HydrophobicContact CG2-CG2 4.31Å; T47-V51 WeakPolarHBondContact O-CB 3.03Å; T47-V51 WeakPolarHBondContact O-CG2 3.42Å; T47-V51 PolarHBondContact O-N 3.47Å; K48-V51 PolarHBondContact O-N 2.98Å; Q49-V51 PolarHBondContact O-N 3.29Å; V51-N55 WeakPolarHBondContact O-CA 3.33Å; V51-N55 PolarHBondContact O-N 3.34Å; V51-A81 HydrophobicContact CG2-CB 4.37Å; V51-V83 HydrophobicContact CG2-CG2 3.52Å
52	E	97.3	Very high	95.4	Very high	134 Å²	134	45.4 Å²	45.4	63%	0.626	23%	0.226	S	C	*	.	I	π-helix	trans	-84.5	-40.9	-171.2	-63	179.2	-172.6	0	0	112.7	K48	K48-E52 WeakPolarHBondContact CE-OE1 3.38Å; K48-E52 WeakPolarHBondContact CE-OE2 3.26Å; K48-E52 VanDerWaalsContact CG-CD 3.45Å; K48-E52 HydrophobicContact CG-CG 4.2Å; K48-E52 WeakPolarHBondContact CG-OE1 3.37Å; K48-E52 WeakPolarHBondContact CG-OE2 3.41Å; K48-E52 IonicContact NZ-OE2 3.92Å; K48-E52 VanDerWaalsContact O-CB 3.3Å; K48-E52 WeakPolarHBondContact O-CB 3.2Å; K48-E52 PolarHBondContact O-N 3.4Å
53	T	96.7	Very high	94.9	Very high	102 Å²	102	45.4 Å²	45.4	63%	0.626	23%	0.226	S	C	*	.	I	π-helix	trans	-89.7	-44.2	-176.5	-47.9	0	0	0	0	111.4	Q49	Q49-T53 WeakPolarHBondContact O-CA 3.24Å; Q49-T53 WeakPolarHBondContact O-CB 3.42Å; Q49-T53 PolarHBondContact O-N 3.46Å
54	E	97.7	Very high	94.1	Very high	33 Å²	33	46.8 Å²	46.8	15%	0.154	23%	0.233	C	C	.	.	S	Bend	trans	-93.6	-1.1	-174.1	-58.6	-68.7	158.5	0	0	113.2	F29 R31 I37 Q49 L50 V56 S118	F29-E54 HydrophobicContact CE2-CG 4.33Å; F29-E54 HydrophobicContact CZ-CG 4.34Å; R31-E54 IonicContact CZ-OE2 2.68Å; R31-E54 IonicContact NE-OE2 3.94Å; R31-E54 PolarHBondContact NE-OE2 3.12Å; R31-E54 VanDerWaalsContact NH2-CA 3.32Å; R31-E54 PolarHBondContact NH2-O 2.91Å; R31-E54 IonicContact NH2-OE2 3.68Å; R31-E54 PolarHBondContact NH2-OE2 3.12Å; I37-E54 HydrophobicContact CD1-CB 3.64Å; I37-E54 HydrophobicContact CD1-CG 4.08Å; Q49-E54 PolarHBondContact O-N 2.9Å; Q49-E54 VanDerWaalsContact O-N 3.14Å; L50-E54 CarbonylContact O-C 3.58Å; L50-E54 WeakPolarHBondContact O-CB 3.31Å; L50-E54 PolarHBondContact O-N 3.32Å; E54-V56 HydrophobicContact CB-CG2 3.94Å; E54-V56 PolarHBondContact O-N 2.99Å; E54-S118 VanDerWaalsContact O-CB 3.26Å; E54-S118 WeakPolarHBondContact O-CB 3.49Å; E54-S118 PolarHBondContact O-OG 2.85Å; E54-S118 VanDerWaalsContact O-OG 3.14Å
55	N	98.1	Very high	92.9	Very high	64 Å²	64	46.5 Å²	46.5	34%	0.342	24%	0.242	S	C	.	.			trans	51.9	37	-176.6	-167.9	31.1	0	0	0	113.6	L50 V51 R57 G116 S118	L50-N55 PolarHBondContact O-N 3.13Å; V51-N55 WeakPolarHBondContact O-CA 3.33Å; V51-N55 PolarHBondContact O-N 3.34Å; N55-R57 PolarHBondContact O-N 2.82Å; N55-G116 PolarHBondContact ND2-O 2.96Å; N55-G116 VanDerWaalsContact ND2-O 3.16Å; N55-S118 PolarHBondContact O-N 3.43Å
56	V	98.3	Very high	91.6	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	119.8	178.3	175.6	0	0	0	0	109.5	I37 L50 E54 G58 V83 S118	I37-V56 HydrophobicContact CD1-CG2 3.89Å; L50-V56 HydrophobicContact CB-CB 4.22Å; L50-V56 HydrophobicContact CB-CG2 4.14Å; L50-V56 HydrophobicContact CD2-CG2 4.41Å; L50-V56 WeakPolarHBondContact O-CB 3.36Å; L50-V56 VanDerWaalsContact O-CG2 3.26Å; L50-V56 WeakPolarHBondContact O-CG2 3.5Å; L50-V56 PolarHBondContact O-N 3.19Å; E54-V56 HydrophobicContact CB-CG2 3.94Å; E54-V56 PolarHBondContact O-N 2.99Å; V56-G58 WeakPolarHBondContact CG1-O 3.35Å; V56-V83 HydrophobicContact CG1-CG1 4.28Å; V56-V83 WeakPolarHBondContact O-CG2 3.35Å; V56-S118 WeakPolarHBondContact CA-O 3.36Å
57	R	98.4	Very high	90	Very high	86 Å²	86	43.4 Å²	43.4	33%	0.325	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	-10.1	173	-57.4	-61.1	172.6	-172.8	-3.8	113.2	N55 G82 V83 E84 H112 T117 S118	N55-R57 PolarHBondContact O-N 2.82Å; R57-G82 WeakPolarHBondContact CD-O 3.35Å; R57-V83 CarbonylContact O-C 3.35Å; R57-V83 WeakPolarHBondContact O-CA 3.27Å; R57-E84 PolarHBondContact O-N 2.9Å; R57-H112 PolarHBondContact O-CE1 3.3Å; R57-H112 VanDerWaalsContact O-CE1 3.31Å; R57-T117 HydrophobicContact CB-CG2 4.02Å; R57-T117 HydrophobicContact CG-CG2 3.57Å; R57-S118 PolarHBondContact N-O 3.33Å
58	G	98.2	Very high	88.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	144.2	170.6	0	0	0	0	0	112	V56 E84 H112 S118 V119 Y120	V56-G58 WeakPolarHBondContact CG1-O 3.35Å; G58-E84 CarbonylContact C-O 3.42Å; G58-E84 WeakPolarHBondContact CA-O 3.1Å; G58-H112 VanDerWaalsContact CA-NE2 3.32Å; G58-H112 WeakPolarHBondContact CA-NE2 3.37Å; G58-H112 PolarHBondContact N-CE1 2.86Å; G58-S118 PolarHBondContact N-O 2.87Å; G58-V119 CarbonylContact O-C 3.56Å; G58-V119 VanDerWaalsContact O-CA 3.27Å; G58-V119 WeakPolarHBondContact O-CA 3.41Å; G58-Y120 PolarHBondContact O-N 3.49Å
59	V	97.9	Very high	87.1	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.7	170.1	64.8	0	0	0	0	110.2	W78 V83 E84 Q85 L86 Y120	V59-W78 HydrophobicContact CG1-CD2 3.99Å; V59-W78 HydrophobicContact CG1-CG 3.99Å; V59-W78 HydrophobicContact CG2-CZ2 4.25Å; V59-V83 HydrophobicContact CB-CG1 4.12Å; V59-V83 HydrophobicContact CG1-CG1 3.97Å; V59-E84 PolarHBondContact N-O 2.91Å; V59-Q85 HydrophobicContact CG1-CB 3.63Å; V59-Q85 HydrophobicContact CG1-CG 3.89Å; V59-Q85 WeakPolarHBondContact O-CA 3.25Å; V59-L86 PolarHBondContact O-N 3.03Å; V59-Y120 WeakPolarHBondContact CA-O 3.3Å; V59-Y120 HydrophobicContact CG2-CD1 4.31Å; V59-Y120 WeakPolarHBondContact CG2-O 3.48Å
60	V	96.9	Very high	85.8	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	111.9	173.8	-174.9	0	0	0	0	109.6	M62 L86 L88 F108 V119 Y120 V121 H122 L133	V60-M62 HydrophobicContact CG1-CG 4.22Å; V60-L86 CarbonylContact C-O 3.58Å; V60-L86 WeakPolarHBondContact CA-O 3.37Å; V60-L86 HydrophobicContact CG2-CB 4.41Å; V60-L86 HydrophobicContact CG2-CD2 4.43Å; V60-L88 HydrophobicContact CG1-CD1 3.84Å; V60-L88 HydrophobicContact CG1-CG 4.31Å; V60-F108 HydrophobicContact CG2-CD1 3.5Å; V60-F108 VanDerWaalsContact CG2-CD1 3.5Å; V60-F108 HydrophobicContact CG2-CE1 3.82Å; V60-F108 HydrophobicContact CG2-CG 4.5Å; V60-V119 HydrophobicContact CG2-CG1 3.85Å; V60-Y120 PolarHBondContact N-O 3.37Å; V60-V121 HydrophobicContact CB-CG1 4.26Å; V60-V121 HydrophobicContact CB-CG2 4.27Å; V60-V121 HydrophobicContact CG2-CG2 4.31Å; V60-H122 PolarHBondContact O-CD2 2.89Å; V60-H122 PolarHBondContact O-N 3.18Å; V60-L133 HydrophobicContact CB-CD2 4.31Å; V60-L133 HydrophobicContact CG1-CD2 3.54Å
61	T	93.8	Very high	84.9	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	106.4	-179.4	-62.5	0	0	0	0	110.2	N63 T68 Q85 L86 L88 H122	T61-N63 VanDerWaalsContact C-N 3.27Å; T61-N63 HydrophobicContact CG2-CB 3.96Å; T61-N63 PolarHBondContact O-N 3.44Å; T61-T68 HydrophobicContact CG2-CG2 4.03Å; T61-Q85 PolarHBondContact OG1-NE2 3.38Å; T61-L86 PolarHBondContact N-O 3.38Å; T61-L88 PolarHBondContact O-N 2.95Å; T61-H122 PolarHBondContact OG1-NE2 3.02Å
62	M	88.5	Confident	84.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.23	C	C	.	.			trans	-94.4	33.8	177.6	-54.1	-164	81	0	0	113.1	V60 L88 T90 P97 H122 C123 R129 S130 L133	V60-M62 HydrophobicContact CG1-CG 4.22Å; M62-L88 WeakPolarHBondContact CA-O 3.36Å; M62-T90 HydrophobicContact CE-CG2 4.38Å; M62-P97 HydrophobicContact CE-CB 3.77Å; M62-P97 HydrophobicContact CE-CG 3.45Å; M62-P97 VanDerWaalsContact CE-CG 3.45Å; M62-H122 WeakPolarHBondContact CB-O 3.44Å; M62-H122 PolarHBondContact N-O 2.97Å; M62-C123 HydrophobicContact CB-CB 4.32Å; M62-R129 HydrophobicContact CB-CB 4.2Å; M62-R129 PolarHBondContact O-NH1 3.4Å; M62-R129 VanDerWaalsContact SD-C 3.51Å; M62-R129 HydrophobicContact SD-CB 4.34Å; M62-R129 VanDerWaalsContact SD-O 3.34Å; M62-S130 VanDerWaalsContact SD-CA 3.51Å; M62-L133 HydrophobicContact CE-CB 4.09Å; M62-L133 HydrophobicContact CE-CD2 4.33Å; M62-L133 HydrophobicContact CG-CD2 4.48Å; M62-L133 HydrophobicContact SD-CB 3.63Å; M62-L133 HydrophobicContact SD-CD2 3.84Å; M62-L133 HydrophobicContact SD-CG 4.39Å
63	N	81.8	Confident	83.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-121.4	152.1	-174.2	-74.8	109.5	0	0	0	111.5	T61 E67 T68 H122 C123 K124	T61-N63 VanDerWaalsContact C-N 3.27Å; T61-N63 HydrophobicContact CG2-CB 3.96Å; T61-N63 PolarHBondContact O-N 3.44Å; N63-E67 WeakPolarHBondContact CA-OE2 3.43Å; N63-E67 HydrophobicContact CB-CB 4.04Å; N63-E67 VanDerWaalsContact CB-OE2 3.32Å; N63-E67 WeakPolarHBondContact CB-OE2 3.46Å; N63-E67 VanDerWaalsContact ND2-CD 3.26Å; N63-E67 PolarHBondContact ND2-OE1 3.2Å; N63-E67 PolarHBondContact ND2-OE2 2.67Å; N63-T68 HydrophobicContact CB-CG2 3.89Å; N63-H122 PolarHBondContact OD1-CE1 3.35Å; N63-H122 PolarHBondContact OD1-ND1 3.44Å; N63-C123 WeakPolarHBondContact OD1-CA 3.48Å; N63-C123 PolarHBondContact OD1-O 3.22Å; N63-C123 VanDerWaalsContact OD1-O 3.06Å; N63-K124 PolarHBondContact ND2-N 3.43Å
64	E	73.3	Confident	83.6	Confident	74 Å²	74	40.3 Å²	40.3	35%	0.346	19%	0.189	S	C	.	.			trans	-70.2	157	167.4	-73.5	-167.8	-123.6	0	0	111.5	Y66 E67 T68	E64-Y66 VanDerWaalsContact C-N 3.26Å; E64-Y66 HydrophobicContact CB-CD1 3.77Å; E64-Y66 HydrophobicContact CB-CE1 3.57Å; E64-Y66 VanDerWaalsContact CD-CE1 3.46Å; E64-Y66 HydrophobicContact CG-CE1 4.12Å; E64-Y66 PolarHBondContact O-N 2.92Å; E64-Y66 WeakPolarHBondContact OE2-CE1 3.44Å; E64-E67 HydrophobicContact CB-CG 4.34Å; E64-E67 PolarHBondContact N-OE2 2.88Å; E64-E67 WeakPolarHBondContact O-CB 3.28Å; E64-E67 PolarHBondContact O-N 3.05Å; E64-T68 PolarHBondContact O-OG1 2.91Å
65	T	65	Low	83.2	Confident	91 Å²	91	41.5 Å²	41.5	56%	0.558	21%	0.205	S	C	*	.	H	α-helix	trans	-59.4	-35.3	-175.4	-40.6	0	0	0	0	112.9	E67 T68 K69 R87	T65-E67 VanDerWaalsContact C-N 3.28Å; T65-E67 PolarHBondContact O-N 3.29Å; T65-T68 PolarHBondContact O-N 3.37Å; T65-T68 PolarHBondContact O-OG1 3.24Å; T65-K69 PolarHBondContact O-N 3.36Å; T65-K69 VanDerWaalsContact O-N 3.16Å; T65-R87 VanDerWaalsContact CA-NH1 3.35Å
66	Y	64.9	Low	82.9	Confident	51 Å²	51	44.2 Å²	44.2	20%	0.2	22%	0.215	C	C	.	.	H	α-helix	trans	-68.9	-25.4	177.5	73.2	-100	0	0	0	113.4	R7 E64 T68	R7-Y66 HydrophobicContact CG-CD1 4.39Å; R7-Y66 HydrophobicContact CG-CD2 3.88Å; R7-Y66 HydrophobicContact CG-CE1 4.25Å; R7-Y66 HydrophobicContact CG-CE2 3.77Å; R7-Y66 HydrophobicContact CG-CG 4.22Å; E64-Y66 VanDerWaalsContact C-N 3.26Å; E64-Y66 HydrophobicContact CB-CD1 3.77Å; E64-Y66 HydrophobicContact CB-CE1 3.57Å; E64-Y66 VanDerWaalsContact CD-CE1 3.46Å; E64-Y66 HydrophobicContact CG-CE1 4.12Å; E64-Y66 PolarHBondContact O-N 2.92Å; E64-Y66 WeakPolarHBondContact OE2-CE1 3.44Å; Y66-T68 VanDerWaalsContact C-N 3.25Å; Y66-T68 PolarHBondContact O-N 3.49Å
67	E	60.6	Low	82.7	Confident	12 Å²	12	47.5 Å²	47.5	6%	0.056	23%	0.231	C	C	.	.	H	α-helix	trans	-73.7	-19.2	179.8	-63.1	-172.5	102.9	0	0	111.9	F10 N63 E64 T65 R129	F10-E67 HydrophobicContact CD2-CB 4.19Å; F10-E67 HydrophobicContact CD2-CG 3.66Å; F10-E67 WeakPolarHBondContact CD2-OE1 3.4Å; F10-E67 HydrophobicContact CE1-CB 4.28Å; F10-E67 HydrophobicContact CE2-CB 3.39Å; F10-E67 HydrophobicContact CE2-CG 3.31Å; F10-E67 WeakPolarHBondContact CE2-OE1 3.43Å; F10-E67 HydrophobicContact CG-CG 4.49Å; F10-E67 HydrophobicContact CZ-CB 3.46Å; F10-E67 VanDerWaalsContact CZ-CB 3.46Å; F10-E67 HydrophobicContact CZ-CG 3.92Å; F10-E67 VanDerWaalsContact CZ-O 3.23Å; F10-E67 WeakPolarHBondContact CZ-O 3.32Å; N63-E67 WeakPolarHBondContact CA-OE2 3.43Å; N63-E67 HydrophobicContact CB-CB 4.04Å; N63-E67 VanDerWaalsContact CB-OE2 3.32Å; N63-E67 WeakPolarHBondContact CB-OE2 3.46Å; N63-E67 VanDerWaalsContact ND2-CD 3.26Å; N63-E67 PolarHBondContact ND2-OE1 3.2Å; N63-E67 PolarHBondContact ND2-OE2 2.67Å; E64-E67 HydrophobicContact CB-CG 4.34Å; E64-E67 PolarHBondContact N-OE2 2.88Å; E64-E67 WeakPolarHBondContact O-CB 3.28Å; E64-E67 PolarHBondContact O-N 3.05Å; T65-E67 VanDerWaalsContact C-N 3.28Å; T65-E67 PolarHBondContact O-N 3.29Å; E67-R129 IonicContact OE1-CZ 3.79Å; E67-R129 IonicContact OE1-NH1 2.88Å; E67-R129 IonicContact OE1-NH2 3.19Å; E67-R129 PolarHBondContact OE1-NH2 3Å; E67-R129 VanDerWaalsContact OE1-NH2 3.09Å; E67-R129 IonicContact OE2-CZ 3Å; E67-R129 IonicContact OE2-NH1 3.09Å; E67-R129 PolarHBondContact OE2-NH1 3.24Å; E67-R129 IonicContact OE2-NH2 3.95Å
68	T	65.6	Low	82.7	Confident	6 Å²	6	43.5 Å²	43.5	4%	0.037	22%	0.215	C	C	.	.	H	α-helix	trans	-113.2	-23.1	-171.6	44.9	0	0	0	0	113.8	L41 T61 N63 E64 T65 Y66 Y70 F71 C72 R87	L41-T68 HydrophobicContact CD2-CG2 4.1Å; T61-T68 HydrophobicContact CG2-CG2 4.03Å; N63-T68 HydrophobicContact CB-CG2 3.89Å; E64-T68 PolarHBondContact O-OG1 2.91Å; T65-T68 PolarHBondContact O-N 3.37Å; T65-T68 PolarHBondContact O-OG1 3.24Å; Y66-T68 VanDerWaalsContact C-N 3.25Å; Y66-T68 PolarHBondContact O-N 3.49Å; T68-Y70 VanDerWaalsContact C-N 3.29Å; T68-Y70 PolarHBondContact O-N 3.14Å; T68-F71 PolarHBondContact O-N 2.89Å; T68-C72 HydrophobicContact CG2-CB 4.3Å; T68-C72 PolarHBondContact O-N 2.83Å; T68-C72 VanDerWaalsContact O-N 3.12Å; T68-R87 PolarHBondContact OG1-NH1 3.46Å
69	K	64.1	Low	82.6	Confident	137 Å²	137	51.4 Å²	51.4	60%	0.596	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.9	-40.2	-167.1	-169.7	173.2	-178.6	179.9	0	115.6	T65	T65-K69 PolarHBondContact O-N 3.36Å; T65-K69 VanDerWaalsContact O-N 3.16Å
70	Y	70.3	Confident	82.5	Confident	140 Å²	140	58.8 Å²	58.8	55%	0.549	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96	-27.4	-171.2	-63.6	-69.7	0	0	0	114.7	Y11 R44 T68	Y11-Y70 WeakPolarHBondContact OH-CD2 3.48Å; Y11-Y70 WeakPolarHBondContact OH-CE2 3.3Å; R44-Y70 PolarHBondContact NH1-O 2.78Å; T68-Y70 VanDerWaalsContact C-N 3.29Å; T68-Y70 PolarHBondContact O-N 3.14Å
71	F	77	Confident	82.5	Confident	91 Å²	91	60.2 Å²	60.2	40%	0.399	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118	-23.8	-166.3	-60.8	-66.4	0	0	0	114.3	Y11 L14 F43 R44 T68	Y11-F71 HydrophobicContact CD1-CE2 4.03Å; Y11-F71 AromaticContact CE1-CE2 3.84Å; Y11-F71 HydrophobicContact CE1-CE2 3.84Å; L14-F71 HydrophobicContact CD2-CD2 4.2Å; L14-F71 HydrophobicContact CD2-CE2 4.37Å; F43-F71 WeakPolarHBondContact CA-O 3.21Å; F43-F71 HydrophobicContact CD1-CB 3.82Å; F43-F71 HydrophobicContact CE1-CB 3.92Å; F43-F71 HydrophobicContact CE1-CG 4.41Å; R44-F71 PolarHBondContact N-O 2.88Å; R44-F71 VanDerWaalsContact N-O 3.16Å; T68-F71 PolarHBondContact O-N 2.89Å
72	C	85.9	Confident	82.6	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.02	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-101.7	159.4	-179.1	-57	0	0	0	0	110.4	P42 R44 T68	P42-C72 WeakPolarHBondContact O-CA 3.3Å; R44-C72 VanDerWaalsContact CZ-O 3.25Å; R44-C72 PolarHBondContact NH2-O 2.84Å; T68-C72 HydrophobicContact CG2-CB 4.3Å; T68-C72 PolarHBondContact O-N 2.83Å; T68-C72 VanDerWaalsContact O-N 3.12Å
73	N	88.3	Confident	83.1	Confident	10 Å²	10	62.4 Å²	62.4	5%	0.053	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-59	140.5	168.8	-66.7	-32.8	0	0	0	111	R44 T47 E77 W78	R44-N73 WeakPolarHBondContact CG-OD1 3.41Å; T47-N73 PolarHBondContact OG1-ND2 3.34Å; N73-E77 WeakPolarHBondContact CA-OE2 3.37Å; N73-E77 HydrophobicContact CB-CB 3.75Å; N73-W78 HydrophobicContact CB-CD2 3.81Å; N73-W78 HydrophobicContact CB-CG 3.87Å; N73-W78 HydrophobicContact CB-CZ2 4.16Å; N73-W78 WeakPolarHBondContact ND2-CH2 3.36Å; N73-W78 WeakPolarHBondContact ND2-CZ2 3.46Å; N73-W78 WeakPolarHBondContact ND2-CZ3 2.86Å
74	S	90.3	Very high	83.8	Confident	47 Å²	47	68.1 Å²	68.1	33%	0.329	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-67.2	167.6	162.8	78.6	0	0	0	0	110.7	E76 E77 W78	S74-E76 PolarHBondContact O-N 2.86Å; S74-E76 PolarHBondContact OG-N 3.3Å; S74-E77 PolarHBondContact N-OE2 3.25Å; S74-E77 PolarHBondContact O-N 2.93Å; S74-E77 WeakPolarHBondContact OG-CG 3.46Å; S74-E77 PolarHBondContact OG-N 2.92Å; S74-E77 PolarHBondContact OG-OE2 2.86Å; S74-W78 VanDerWaalsContact O-CD1 3.32Å; S74-W78 PolarHBondContact O-N 3.49Å
75	A	89.8	Confident	84.9	Confident	58 Å²	58	66.4 Å²	66.4	48%	0.479	33%	0.332	S	S	.	.	H	α-helix	trans	-58.7	-35.5	173.9	0	0	0	0	0	111.8	R79	A75-R79 WeakPolarHBondContact O-CB 3.47Å; A75-R79 PolarHBondContact O-N 3.42Å
76	E	92.4	Very high	86.4	Confident	121 Å²	121	64 Å²	64	57%	0.565	32%	0.315	S	S	*	.	H	α-helix	trans	-70.8	-43.7	176.5	-64.7	179.3	172.7	0	0	111.7	S74 W78 R79 H80	S74-E76 PolarHBondContact O-N 2.86Å; S74-E76 PolarHBondContact OG-N 3.3Å; E76-W78 VanDerWaalsContact C-N 3.3Å; E76-W78 PolarHBondContact O-N 3.31Å; E76-R79 PolarHBondContact O-N 2.97Å; E76-H80 PolarHBondContact O-N 2.85Å; E76-H80 PolarHBondContact O-ND1 3.22Å
77	E	94.7	Very high	87.7	Confident	70 Å²	70	65 Å²	65	33%	0.327	32%	0.319	S	S	.	.	H	α-helix	trans	-60.1	-41.7	176.3	-72.2	173.7	120.9	0	0	110.8	R44 N73 S74 H80 A81	R44-E77 IonicContact CZ-OE1 3.81Å; R44-E77 IonicContact CZ-OE2 3.82Å; R44-E77 IonicContact NE-OE1 3Å; R44-E77 PolarHBondContact NE-OE1 3.19Å; R44-E77 IonicContact NE-OE2 2.73Å; R44-E77 PolarHBondContact NE-OE2 2.94Å; R44-E77 IonicContact NH2-OE1 3.63Å; R44-E77 IonicContact NH2-OE2 3.92Å; R44-E77 PolarHBondContact NH2-OE2 2.78Å; N73-E77 WeakPolarHBondContact CA-OE2 3.37Å; N73-E77 HydrophobicContact CB-CB 3.75Å; S74-E77 PolarHBondContact N-OE2 3.25Å; S74-E77 PolarHBondContact O-N 2.93Å; S74-E77 WeakPolarHBondContact OG-CG 3.46Å; S74-E77 PolarHBondContact OG-N 2.92Å; S74-E77 PolarHBondContact OG-OE2 2.86Å; E77-H80 PolarHBondContact O-N 3.31Å; E77-A81 PolarHBondContact O-N 2.98Å; E77-A81 VanDerWaalsContact O-N 3.12Å
78	W	96.6	Very high	89.1	Confident	1 Å²	1	64.6 Å²	64.6	0%	0.004	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-46.3	172.7	-80.4	126	0	0	0	112.6	P42 T47 L50 V59 N73 S74 E76 H80 A81 G82 V83	P42-W78 HydrophobicContact CB-CH2 4.23Å; P42-W78 HydrophobicContact CB-CZ2 3.92Å; P42-W78 HydrophobicContact CG-CZ2 3.78Å; T47-W78 HydrophobicContact CG2-CE3 4.44Å; T47-W78 HydrophobicContact CG2-CZ3 3.95Å; L50-W78 HydrophobicContact CD1-CH2 4.02Å; V59-W78 HydrophobicContact CG1-CD2 3.99Å; V59-W78 HydrophobicContact CG1-CG 3.99Å; V59-W78 HydrophobicContact CG2-CZ2 4.25Å; N73-W78 HydrophobicContact CB-CD2 3.81Å; N73-W78 HydrophobicContact CB-CG 3.87Å; N73-W78 HydrophobicContact CB-CZ2 4.16Å; N73-W78 WeakPolarHBondContact ND2-CH2 3.36Å; N73-W78 WeakPolarHBondContact ND2-CZ2 3.46Å; N73-W78 WeakPolarHBondContact ND2-CZ3 2.86Å; S74-W78 VanDerWaalsContact O-CD1 3.32Å; S74-W78 PolarHBondContact O-N 3.49Å; E76-W78 VanDerWaalsContact C-N 3.3Å; E76-W78 PolarHBondContact O-N 3.31Å; W78-H80 VanDerWaalsContact C-N 3.33Å; W78-H80 PolarHBondContact O-N 3.45Å; W78-A81 CarbonylContact O-C 3.51Å; W78-A81 WeakPolarHBondContact O-CA 3.21Å; W78-A81 WeakPolarHBondContact O-CB 3.48Å; W78-A81 PolarHBondContact O-N 3.17Å; W78-G82 PolarHBondContact O-N 3.23Å; W78-V83 CarbonylContact C-O 3.49Å; W78-V83 HydrophobicContact CB-CB 4.26Å; W78-V83 HydrophobicContact CD2-CB 4.3Å; W78-V83 HydrophobicContact CD2-CG1 4.24Å; W78-V83 HydrophobicContact CE3-CB 3.62Å; W78-V83 HydrophobicContact CE3-CG1 3.77Å; W78-V83 HydrophobicContact CE3-CG2 3.74Å; W78-V83 HydrophobicContact CZ3-CB 4.33Å; W78-V83 HydrophobicContact CZ3-CG1 4.28Å; W78-V83 HydrophobicContact CZ3-CG2 4.06Å; W78-V83 PolarHBondContact O-N 3.2Å
79	R	96	Very high	89.5	Confident	167 Å²	167	66.6 Å²	66.6	63%	0.63	33%	0.331	S	S	*	.	H	α-helix	trans	-60.5	-41.3	178.3	-174	176.6	64.2	-172.1	-2.6	112.1	A75 E76 A81 G82 V83	A75-R79 WeakPolarHBondContact O-CB 3.47Å; A75-R79 PolarHBondContact O-N 3.42Å; E76-R79 PolarHBondContact O-N 2.97Å; R79-A81 VanDerWaalsContact C-N 3.25Å; R79-A81 PolarHBondContact O-N 3.48Å; R79-G82 PolarHBondContact O-N 2.82Å; R79-V83 PolarHBondContact N-O 2.92Å
80	H	96.6	Very high	89.6	Confident	154 Å²	154	60.5 Å²	60.5	71%	0.713	31%	0.306	S	S	*	.	H	α-helix	trans	-64.6	-30.4	174.9	-70.3	106.4	0	0	0	112.6	E76 E77 W78 G82	E76-H80 PolarHBondContact O-N 2.85Å; E76-H80 PolarHBondContact O-ND1 3.22Å; E77-H80 PolarHBondContact O-N 3.31Å; W78-H80 VanDerWaalsContact C-N 3.33Å; W78-H80 PolarHBondContact O-N 3.45Å; H80-G82 PolarHBondContact O-N 3.43Å
81	A	96.6	Very high	88.8	Confident	31 Å²	31	60.4 Å²	60.4	26%	0.256	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	1.9	172.6	0	0	0	0	0	113.5	T47 V51 E77 W78 R79 V83	T47-A81 HydrophobicContact CG2-CB 3.8Å; V51-A81 HydrophobicContact CG2-CB 4.37Å; E77-A81 PolarHBondContact O-N 2.98Å; E77-A81 VanDerWaalsContact O-N 3.12Å; W78-A81 CarbonylContact O-C 3.51Å; W78-A81 WeakPolarHBondContact O-CA 3.21Å; W78-A81 WeakPolarHBondContact O-CB 3.48Å; W78-A81 PolarHBondContact O-N 3.17Å; R79-A81 VanDerWaalsContact C-N 3.25Å; R79-A81 PolarHBondContact O-N 3.48Å; A81-V83 HydrophobicContact CB-CG2 4.39Å
82	G	96.9	Very high	87.3	Confident	42 Å²	42	61 Å²	61	43%	0.433	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	34.9	-177.2	0	0	0	0	0	113.2	R57 W78 R79 H80	R57-G82 WeakPolarHBondContact CD-O 3.35Å; W78-G82 PolarHBondContact O-N 3.23Å; R79-G82 PolarHBondContact O-N 2.82Å; H80-G82 PolarHBondContact O-N 3.43Å
83	V	98.1	Very high	85.5	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.024	36%	0.356	C	S	.	.			trans	-122.4	128.5	178.4	-175	0	0	0	0	109.9	V51 V56 R57 V59 W78 R79 A81	V51-V83 HydrophobicContact CG2-CG2 3.52Å; V56-V83 HydrophobicContact CG1-CG1 4.28Å; V56-V83 WeakPolarHBondContact O-CG2 3.35Å; R57-V83 CarbonylContact O-C 3.35Å; R57-V83 WeakPolarHBondContact O-CA 3.27Å; V59-V83 HydrophobicContact CB-CG1 4.12Å; V59-V83 HydrophobicContact CG1-CG1 3.97Å; W78-V83 CarbonylContact C-O 3.49Å; W78-V83 HydrophobicContact CB-CB 4.26Å; W78-V83 HydrophobicContact CD2-CB 4.3Å; W78-V83 HydrophobicContact CD2-CG1 4.24Å; W78-V83 HydrophobicContact CE3-CB 3.62Å; W78-V83 HydrophobicContact CE3-CG1 3.77Å; W78-V83 HydrophobicContact CE3-CG2 3.74Å; W78-V83 HydrophobicContact CZ3-CB 4.33Å; W78-V83 HydrophobicContact CZ3-CG1 4.28Å; W78-V83 HydrophobicContact CZ3-CG2 4.06Å; W78-V83 PolarHBondContact O-N 3.2Å; R79-V83 PolarHBondContact N-O 2.92Å; A81-V83 HydrophobicContact CB-CG2 4.39Å
84	E	97.5	Very high	84.3	Confident	121 Å²	121	70.3 Å²	70.3	57%	0.565	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	132.2	172.7	-173.4	178.3	171.8	0	0	110.6	R57 G58 V59 F108	R57-E84 PolarHBondContact O-N 2.9Å; G58-E84 CarbonylContact C-O 3.42Å; G58-E84 WeakPolarHBondContact CA-O 3.1Å; V59-E84 PolarHBondContact N-O 2.91Å; E84-F108 HydrophobicContact CB-CE2 4.38Å; E84-F108 HydrophobicContact CB-CZ 4.22Å; E84-F108 HydrophobicContact CG-CE2 3.92Å; E84-F108 HydrophobicContact CG-CZ 4.18Å
85	Q	96.4	Very high	83.4	Confident	38 Å²	38	68.8 Å²	68.8	18%	0.178	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.9	176.5	176.6	172.6	64.8	0	0	111.5	V59 T61	V59-Q85 HydrophobicContact CG1-CB 3.63Å; V59-Q85 HydrophobicContact CG1-CG 3.89Å; V59-Q85 WeakPolarHBondContact O-CA 3.25Å; T61-Q85 PolarHBondContact OG1-NE2 3.38Å
86	L	95.9	Very high	83.2	Confident	39 Å²	39	67 Å²	67	20%	0.204	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	119.8	163.9	178.6	63.1	0	0	0	109.9	V59 V60 T61 L88 F108	V59-L86 PolarHBondContact O-N 3.03Å; V60-L86 CarbonylContact C-O 3.58Å; V60-L86 WeakPolarHBondContact CA-O 3.37Å; V60-L86 HydrophobicContact CG2-CB 4.41Å; V60-L86 HydrophobicContact CG2-CD2 4.43Å; T61-L86 PolarHBondContact N-O 3.38Å; L86-L88 HydrophobicContact CD1-CD2 4.09Å; L86-L88 HydrophobicContact CD2-CD1 4.07Å; L86-L88 HydrophobicContact CD2-CD2 4.19Å; L86-L88 HydrophobicContact CD2-CG 4.13Å; L86-L88 HydrophobicContact CG-CD1 4.45Å; L86-L88 HydrophobicContact CG-CD2 4.07Å; L86-L88 HydrophobicContact CG-CG 4Å; L86-F108 HydrophobicContact CB-CD1 4.19Å; L86-F108 HydrophobicContact CB-CD2 4Å; L86-F108 HydrophobicContact CB-CE1 4.19Å; L86-F108 HydrophobicContact CB-CE2 4.02Å; L86-F108 HydrophobicContact CB-CG 4.09Å; L86-F108 HydrophobicContact CB-CZ 4.11Å; L86-F108 HydrophobicContact CD2-CB 3.55Å; L86-F108 HydrophobicContact CD2-CD1 4.19Å; L86-F108 HydrophobicContact CD2-CD2 4.08Å; L86-F108 HydrophobicContact CD2-CG 3.68Å
87	R	92.6	Very high	82.9	Confident	73 Å²	73	61.3 Å²	61.3	28%	0.275	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115	176.9	-174.2	175.2	-67.5	-112.5	1.3	110.7	T65 T68	T65-R87 VanDerWaalsContact CA-NH1 3.35Å; T68-R87 PolarHBondContact OG1-NH1 3.46Å
88	L	89.8	Confident	82.7	Confident	3 Å²	3	60.3 Å²	60.3	2%	0.016	33%	0.327	C	S	.	.			trans	-112.5	80.5	178.2	-60.2	175.3	0	0	0	108.9	V60 T61 M62 L86 T90 N101 Q104 L133	V60-L88 HydrophobicContact CG1-CD1 3.84Å; V60-L88 HydrophobicContact CG1-CG 4.31Å; T61-L88 PolarHBondContact O-N 2.95Å; M62-L88 WeakPolarHBondContact CA-O 3.36Å; L86-L88 HydrophobicContact CD1-CD2 4.09Å; L86-L88 HydrophobicContact CD2-CD1 4.07Å; L86-L88 HydrophobicContact CD2-CD2 4.19Å; L86-L88 HydrophobicContact CD2-CG 4.13Å; L86-L88 HydrophobicContact CG-CD1 4.45Å; L86-L88 HydrophobicContact CG-CD2 4.07Å; L86-L88 HydrophobicContact CG-CG 4Å; L88-T90 PolarHBondContact O-N 3.3Å; L88-T90 VanDerWaalsContact O-N 3.16Å; L88-N101 HydrophobicContact CB-CB 4.37Å; L88-N101 HydrophobicContact CD1-CB 4.42Å; L88-N101 VanDerWaalsContact CD1-O 3.3Å; L88-N101 WeakPolarHBondContact CD1-O 3.37Å; L88-N101 HydrophobicContact CD2-CB 4.38Å; L88-Q104 HydrophobicContact CD2-CB 4.08Å; L88-L133 HydrophobicContact CD1-CD2 4.16Å
89	S	73.8	Confident	82.5	Confident	49 Å²	49	63 Å²	63	34%	0.343	34%	0.341	S	S	.	.			trans	-63.3	116.9	178.5	-60.9	0	0	0	0	109.7	V91	S89-V91 PolarHBondContact O-N 2.99Å
90	T	65.4	Low	82.4	Confident	9 Å²	9	61.2 Å²	61.2	6%	0.055	34%	0.341	C	S	.	.			trans	-79.8	106.8	166.3	56.2	0	0	0	0	107.3	M62 L88 D92 P97 R129	M62-T90 HydrophobicContact CE-CG2 4.38Å; L88-T90 PolarHBondContact O-N 3.3Å; L88-T90 VanDerWaalsContact O-N 3.16Å; T90-D92 PolarHBondContact O-N 3.44Å; T90-D92 VanDerWaalsContact O-N 3.15Å; T90-P97 HydrophobicContact CG2-CB 4.35Å; T90-P97 HydrophobicContact CG2-CG 4.34Å; T90-R129 HydrophobicContact CG2-CG 4.37Å; T90-R129 VanDerWaalsContact OG1-CD 3.3Å; T90-R129 WeakPolarHBondContact OG1-CD 3.46Å
91	V	54	Low	82.2	Confident	137 Å²	137	55 Å²	55	83%	0.83	31%	0.313	S	S	*	.			trans	-64.4	-15.6	-177.5	-178.9	0	0	0	0	112.1	S89	S89-V91 PolarHBondContact O-N 2.99Å
92	D	45.3	Very low	82.2	Confident	105 Å²	105	53.6 Å²	53.6	56%	0.561	30%	0.301	S	S	*	.	S	Bend	trans	-107.8	138.7	-162.2	-124.9	-27.2	0	0	0	115	T90 T94 G95	T90-D92 PolarHBondContact O-N 3.44Å; T90-D92 VanDerWaalsContact O-N 3.15Å; D92-T94 PolarHBondContact O-N 3.01Å; D92-G95 PolarHBondContact O-N 3.45Å
93	L	48.6	Very low	82.2	Confident	121 Å²	121	54.4 Å²	54.4	63%	0.634	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-11.4	178.5	-69.4	163.4	0	0	0	113.8	M1	M1-L93 HydrophobicContact CB-CD2 4.43Å; M1-L93 WeakPolarHBondContact O-CD2 3.21Å
94	T	62.8	Low	82.2	Confident	87 Å²	87	58.2 Å²	58.2	53%	0.534	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-20.1	-179.9	63.3	0	0	0	0	113.2	D92 V96	D92-T94 PolarHBondContact O-N 3.01Å; T94-V96 VanDerWaalsContact C-N 3.3Å; T94-V96 PolarHBondContact O-N 2.99Å
95	G	72.1	Confident	82.2	Confident	14 Å²	14	52.5 Å²	52.5	14%	0.144	28%	0.284	C	S	.	.			trans	66.3	29.7	-176.6	0	0	0	0	0	113.8	D92 R129 Q166	D92-G95 PolarHBondContact O-N 3.45Å; G95-R129 WeakPolarHBondContact O-CG 3.49Å; G95-Q166 PolarHBondContact O-NE2 2.99Å
96	V	84.9	Confident	82.2	Confident	22 Å²	22	50.8 Å²	50.8	13%	0.133	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-100.8	123.3	175	-175.6	0	0	0	0	109	T94 A165 Q166 M169	T94-V96 VanDerWaalsContact C-N 3.3Å; T94-V96 PolarHBondContact O-N 2.99Å; V96-A165 HydrophobicContact CG2-CB 3.74Å; V96-Q166 HydrophobicContact CG2-CG 4.05Å; V96-M169 HydrophobicContact CG1-CB 3.97Å; V96-M169 HydrophobicContact CG1-CE 4.17Å; V96-M169 HydrophobicContact CG1-CG 4.36Å
97	P	86.1	Confident	82.3	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.006	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-65.4	146.3	173.1	-18.4	32.4	0	0	0	111.8	M62 T90 L102 T132 M169	M62-P97 HydrophobicContact CE-CB 3.77Å; M62-P97 HydrophobicContact CE-CG 3.45Å; M62-P97 VanDerWaalsContact CE-CG 3.45Å; T90-P97 HydrophobicContact CG2-CB 4.35Å; T90-P97 HydrophobicContact CG2-CG 4.34Å; P97-L102 HydrophobicContact CB-CD2 3.85Å; P97-L102 HydrophobicContact CB-CG 4.22Å; P97-L102 HydrophobicContact CG-CD2 4.19Å; P97-T132 HydrophobicContact CG-CG2 4.31Å; P97-M169 WeakPolarHBondContact O-CG 3.23Å
98	S	91.1	Very high	82.6	Confident	48 Å²	48	50.9 Å²	50.9	34%	0.336	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-71	159.1	169.8	65.6	0	0	0	0	110.8	Q100 N101 L102	S98-Q100 VanDerWaalsContact C-N 3.3Å; S98-Q100 PolarHBondContact O-N 3.19Å; S98-N101 PolarHBondContact O-N 2.96Å; S98-N101 VanDerWaalsContact O-N 3.12Å; S98-N101 WeakPolarHBondContact OG-CB 3.34Å; S98-N101 PolarHBondContact OG-N 3.32Å; S98-N101 PolarHBondContact OG-OD1 3.18Å; S98-L102 PolarHBondContact O-N 3.38Å
99	L	92.6	Very high	83	Confident	57 Å²	57	50.9 Å²	50.9	30%	0.298	28%	0.279	S	S	.	.	H	α-helix	trans	-56.5	-46.1	175.8	-172.3	64.5	0	0	0	111.2	N101 L102 H103 M169 Y173	L99-N101 VanDerWaalsContact C-N 3.32Å; L99-N101 PolarHBondContact O-N 3.12Å; L99-L102 WeakPolarHBondContact O-CA 3.41Å; L99-L102 WeakPolarHBondContact O-CB 3.3Å; L99-L102 PolarHBondContact O-N 2.69Å; L99-H103 PolarHBondContact O-CD2 2.86Å; L99-H103 PolarHBondContact O-N 3.04Å; L99-M169 HydrophobicContact CB-SD 4.22Å; L99-Y173 HydrophobicContact CD1-CD2 3.78Å; L99-Y173 HydrophobicContact CD1-CG 4.27Å
100	Q	93.1	Very high	84.2	Confident	131 Å²	131	50 Å²	50	61%	0.612	27%	0.27	S	S	*	.	H	α-helix	trans	-55.3	-44.3	175.3	-175.3	-179.2	13.8	0	0	112.6	S98 L102 H103 Q104	S98-Q100 VanDerWaalsContact C-N 3.3Å; S98-Q100 PolarHBondContact O-N 3.19Å; Q100-L102 VanDerWaalsContact C-N 3.3Å; Q100-L102 PolarHBondContact O-N 2.96Å; Q100-H103 PolarHBondContact O-N 2.68Å; Q100-Q104 WeakPolarHBondContact O-CG 3.44Å; Q100-Q104 PolarHBondContact O-N 3.13Å
101	N	93.4	Very high	85.8	Confident	24 Å²	24	53.3 Å²	53.3	13%	0.128	29%	0.285	C	S	.	.	H	α-helix	trans	-65.7	-35.2	177.3	-73.1	-1.7	0	0	0	111.4	L88 S98 L99 G105	L88-N101 HydrophobicContact CB-CB 4.37Å; L88-N101 HydrophobicContact CD1-CB 4.42Å; L88-N101 VanDerWaalsContact CD1-O 3.3Å; L88-N101 WeakPolarHBondContact CD1-O 3.37Å; L88-N101 HydrophobicContact CD2-CB 4.38Å; S98-N101 PolarHBondContact O-N 2.96Å; S98-N101 VanDerWaalsContact O-N 3.12Å; S98-N101 WeakPolarHBondContact OG-CB 3.34Å; S98-N101 PolarHBondContact OG-N 3.32Å; S98-N101 PolarHBondContact OG-OD1 3.18Å; L99-N101 VanDerWaalsContact C-N 3.32Å; L99-N101 PolarHBondContact O-N 3.12Å; N101-G105 PolarHBondContact O-N 3.01Å
102	L	95.7	Very high	87.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-49.5	173.3	-65.6	-179.5	0	0	0	110.8	P97 S98 L99 Q100 Q104 G105 V106 T132 L133 A136 M169 Y173	P97-L102 HydrophobicContact CB-CD2 3.85Å; P97-L102 HydrophobicContact CB-CG 4.22Å; P97-L102 HydrophobicContact CG-CD2 4.19Å; S98-L102 PolarHBondContact O-N 3.38Å; L99-L102 WeakPolarHBondContact O-CA 3.41Å; L99-L102 WeakPolarHBondContact O-CB 3.3Å; L99-L102 PolarHBondContact O-N 2.69Å; Q100-L102 VanDerWaalsContact C-N 3.3Å; Q100-L102 PolarHBondContact O-N 2.96Å; L102-Q104 PolarHBondContact O-N 2.66Å; L102-G105 PolarHBondContact O-N 3.49Å; L102-V106 WeakPolarHBondContact O-CB 3.19Å; L102-V106 WeakPolarHBondContact O-CG2 3.35Å; L102-V106 PolarHBondContact O-N 3.14Å; L102-T132 HydrophobicContact CD2-CG2 4.48Å; L102-L133 HydrophobicContact CD2-CB 4.38Å; L102-L133 HydrophobicContact CD2-CD1 3.94Å; L102-A136 HydrophobicContact CB-CB 4.37Å; L102-A136 HydrophobicContact CD1-CB 4.38Å; L102-A136 HydrophobicContact CD2-CB 4Å; L102-A136 HydrophobicContact CG-CB 4.49Å; L102-M169 HydrophobicContact CD1-CG 3.74Å; L102-Y173 HydrophobicContact CB-CD2 3.86Å; L102-Y173 HydrophobicContact CB-CE2 4.11Å; L102-Y173 HydrophobicContact CB-CG 4.5Å; L102-Y173 HydrophobicContact CD1-CD2 4.34Å; L102-Y173 HydrophobicContact CD1-CG 4.27Å
103	H	96.7	Very high	90.4	Very high	59 Å²	59	46 Å²	46	27%	0.273	24%	0.235	S	C	.	.	H	α-helix	trans	-57.7	-49.3	176.4	-75.5	-84.6	0	0	0	112.2	L99 Q100 G105 V106 E107 Y173 D176	L99-H103 PolarHBondContact O-CD2 2.86Å; L99-H103 PolarHBondContact O-N 3.04Å; Q100-H103 PolarHBondContact O-N 2.68Å; H103-G105 PolarHBondContact O-N 2.83Å; H103-V106 PolarHBondContact O-N 3.43Å; H103-E107 VanDerWaalsContact O-CB 3.31Å; H103-E107 WeakPolarHBondContact O-CB 3.25Å; H103-E107 PolarHBondContact O-N 3.48Å; H103-Y173 AromaticContact CD2-CE2 3.86Å; H103-Y173 AromaticContact CE1-CD2 4Å; H103-Y173 AromaticContact CE1-CE2 3.58Å; H103-Y173 AromaticContact CG-CE2 3.89Å; H103-Y173 AromaticContact ND1-CE2 3.72Å; H103-Y173 AromaticContact NE2-CD2 3.62Å; H103-Y173 AromaticContact NE2-CE2 3.62Å; H103-D176 IonicContact CE1-OD2 2.67Å; H103-D176 PolarHBondContact CE1-OD2 3.07Å; H103-D176 IonicContact NE2-OD2 3.2Å; H103-D176 PolarHBondContact NE2-OD2 3.05Å; H103-D176 VanDerWaalsContact NE2-OD2 3.09Å
104	Q	97.4	Very high	92.7	Very high	85 Å²	85	46.9 Å²	46.9	40%	0.397	24%	0.24	S	C	.	.	H	α-helix	trans	-60.2	-46	-179.4	-73.6	177.6	-21.1	0	0	112.3	L88 Q100 L102 F108	L88-Q104 HydrophobicContact CD2-CB 4.08Å; Q100-Q104 WeakPolarHBondContact O-CG 3.44Å; Q100-Q104 PolarHBondContact O-N 3.13Å; L102-Q104 PolarHBondContact O-N 2.66Å; Q104-F108 VanDerWaalsContact O-CB 3.3Å; Q104-F108 WeakPolarHBondContact O-CB 3.43Å; Q104-F108 PolarHBondContact O-N 3.42Å
105	G	97.6	Very high	94.3	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-70.4	-35.6	-179.2	0	0	0	0	0	113.3	N101 L102 H103 A109	N101-G105 PolarHBondContact O-N 3.01Å; L102-G105 PolarHBondContact O-N 3.49Å; H103-G105 PolarHBondContact O-N 2.83Å; G105-A109 PolarHBondContact O-N 3.48Å; G105-A109 VanDerWaalsContact O-N 3.13Å
106	V	98.2	Very high	95.5	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	26%	0.263	C	S	.	.	H	α-helix	trans	-69.1	-45.7	175.7	172.7	0	0	0	0	110.7	L102 H103 F108 A109 L110 L133 A136 R140 Y173	L102-V106 WeakPolarHBondContact O-CB 3.19Å; L102-V106 WeakPolarHBondContact O-CG2 3.35Å; L102-V106 PolarHBondContact O-N 3.14Å; H103-V106 PolarHBondContact O-N 3.43Å; V106-F108 VanDerWaalsContact C-N 3.32Å; V106-F108 PolarHBondContact O-N 2.87Å; V106-A109 WeakPolarHBondContact O-CB 3.49Å; V106-A109 PolarHBondContact O-N 3.32Å; V106-A109 VanDerWaalsContact O-N 3.12Å; V106-L110 HydrophobicContact CG1-CD1 3.97Å; V106-L110 HydrophobicContact CG1-CG 4.28Å; V106-L110 WeakPolarHBondContact O-CG 3.2Å; V106-L110 PolarHBondContact O-N 2.97Å; V106-L133 HydrophobicContact CG2-CD1 4.09Å; V106-A136 HydrophobicContact CG2-CB 3.83Å; V106-R140 HydrophobicContact CG1-CB 3.7Å; V106-R140 HydrophobicContact CG1-CG 3.76Å; V106-Y173 WeakPolarHBondContact CG1-OH 3.26Å
107	E	98.1	Very high	96.1	Very high	91 Å²	91	50.6 Å²	50.6	43%	0.425	26%	0.263	S	S	.	.	H	α-helix	trans	-60.6	-44.4	178.2	-173.2	55.1	-142.7	0	0	111.1	H103 A109 L110 Q111	H103-E107 VanDerWaalsContact O-CB 3.31Å; H103-E107 WeakPolarHBondContact O-CB 3.25Å; H103-E107 PolarHBondContact O-N 3.48Å; E107-A109 VanDerWaalsContact C-N 3.3Å; E107-A109 PolarHBondContact O-N 2.93Å; E107-L110 PolarHBondContact O-N 3.13Å; E107-L110 VanDerWaalsContact O-N 3.12Å; E107-Q111 WeakPolarHBondContact O-CG 3.43Å; E107-Q111 PolarHBondContact O-N 2.8Å; E107-Q111 PolarHBondContact OE1-NE2 3.4Å
108	F	98.4	Very high	96.7	Very high	23 Å²	23	50.8 Å²	50.8	10%	0.101	26%	0.264	C	S	.	.	H	α-helix	trans	-55.4	-44.5	173.6	-176.9	-96.4	0	0	0	112.6	V60 E84 L86 Q104 V106 Q111 H112 V119	V60-F108 HydrophobicContact CG2-CD1 3.5Å; V60-F108 VanDerWaalsContact CG2-CD1 3.5Å; V60-F108 HydrophobicContact CG2-CE1 3.82Å; V60-F108 HydrophobicContact CG2-CG 4.5Å; E84-F108 HydrophobicContact CB-CE2 4.38Å; E84-F108 HydrophobicContact CB-CZ 4.22Å; E84-F108 HydrophobicContact CG-CE2 3.92Å; E84-F108 HydrophobicContact CG-CZ 4.18Å; L86-F108 HydrophobicContact CB-CD1 4.19Å; L86-F108 HydrophobicContact CB-CD2 4Å; L86-F108 HydrophobicContact CB-CE1 4.19Å; L86-F108 HydrophobicContact CB-CE2 4.02Å; L86-F108 HydrophobicContact CB-CG 4.09Å; L86-F108 HydrophobicContact CB-CZ 4.11Å; L86-F108 HydrophobicContact CD2-CB 3.55Å; L86-F108 HydrophobicContact CD2-CD1 4.19Å; L86-F108 HydrophobicContact CD2-CD2 4.08Å; L86-F108 HydrophobicContact CD2-CG 3.68Å; Q104-F108 VanDerWaalsContact O-CB 3.3Å; Q104-F108 WeakPolarHBondContact O-CB 3.43Å; Q104-F108 PolarHBondContact O-N 3.42Å; V106-F108 VanDerWaalsContact C-N 3.32Å; V106-F108 PolarHBondContact O-N 2.87Å; F108-Q111 PolarHBondContact O-N 2.89Å; F108-H112 AromaticContact CE1-CD2 3.65Å; F108-H112 AromaticContact CE1-NE2 3.7Å; F108-H112 AromaticContact CE2-NE2 3.74Å; F108-H112 AromaticContact CZ-CD2 3.71Å; F108-H112 AromaticContact CZ-NE2 3.28Å; F108-H112 VanDerWaalsContact CZ-NE2 3.28Å; F108-H112 WeakPolarHBondContact CZ-NE2 3.3Å; F108-H112 PolarHBondContact O-CD2 2.92Å; F108-H112 PolarHBondContact O-N 3.14Å; F108-V119 HydrophobicContact CD1-CG1 4.14Å; F108-V119 HydrophobicContact CE1-CG1 3.97Å; F108-V119 HydrophobicContact CE1-CG2 4.45Å
109	A	98.4	Very high	97.1	Very high	3 Å²	3	48.5 Å²	48.5	3%	0.025	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-40.1	176.3	0	0	0	0	0	112.7	V36 G105 V106 E107 H112 R113 Y137	V36-A109 HydrophobicContact CG2-CB 4.2Å; G105-A109 PolarHBondContact O-N 3.48Å; G105-A109 VanDerWaalsContact O-N 3.13Å; V106-A109 WeakPolarHBondContact O-CB 3.49Å; V106-A109 PolarHBondContact O-N 3.32Å; V106-A109 VanDerWaalsContact O-N 3.12Å; E107-A109 VanDerWaalsContact C-N 3.3Å; E107-A109 PolarHBondContact O-N 2.93Å; A109-H112 PolarHBondContact O-N 2.98Å; A109-R113 PolarHBondContact O-N 3.21Å; A109-Y137 HydrophobicContact CB-CD2 3.77Å; A109-Y137 HydrophobicContact CB-CE2 4.07Å
110	L	98.1	Very high	97.4	Very high	29 Å²	29	45.8 Å²	45.8	15%	0.152	23%	0.233	C	C	.	.	H	α-helix	trans	-66.5	-37.6	177.7	-68.6	173.8	0	0	0	112.4	V106 E107 H112 R113 L114 Y137 R140	V106-L110 HydrophobicContact CG1-CD1 3.97Å; V106-L110 HydrophobicContact CG1-CG 4.28Å; V106-L110 WeakPolarHBondContact O-CG 3.2Å; V106-L110 PolarHBondContact O-N 2.97Å; E107-L110 PolarHBondContact O-N 3.13Å; E107-L110 VanDerWaalsContact O-N 3.12Å; L110-H112 PolarHBondContact O-N 2.74Å; L110-R113 VanDerWaalsContact O-CB 3.32Å; L110-R113 WeakPolarHBondContact O-CB 3.26Å; L110-R113 PolarHBondContact O-N 2.89Å; L110-L114 WeakPolarHBondContact O-CG 3.44Å; L110-L114 PolarHBondContact O-N 2.77Å; L110-Y137 HydrophobicContact CD2-CD2 4.31Å; L110-Y137 HydrophobicContact CD2-CE2 3.9Å; L110-Y137 HydrophobicContact CG-CE2 4.49Å; L110-R140 HydrophobicContact CD1-CG 3.84Å
111	Q	98.3	Very high	97.6	Very high	80 Å²	80	39.7 Å²	39.7	37%	0.374	21%	0.205	S	C	.	.	H	α-helix	trans	-61.7	-43.9	175.1	-69.3	-56.5	-40.2	0	0	111.8	E107 F108 R113 L114 Q115	E107-Q111 WeakPolarHBondContact O-CG 3.43Å; E107-Q111 PolarHBondContact O-N 2.8Å; E107-Q111 PolarHBondContact OE1-NE2 3.4Å; F108-Q111 PolarHBondContact O-N 2.89Å; Q111-R113 VanDerWaalsContact C-N 3.33Å; Q111-R113 PolarHBondContact O-N 3.18Å; Q111-L114 PolarHBondContact O-N 2.98Å; Q111-Q115 WeakPolarHBondContact O-CG 3.45Å; Q111-Q115 PolarHBondContact O-N 3Å
112	H	98.2	Very high	97.6	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.037	20%	0.2	C	C	.	.	H	α-helix	trans	-66.1	-34.9	174.5	-82.4	-70.4	0	0	0	113.1	R57 G58 F108 A109 L110 Q115 G116 T117 V119	R57-H112 PolarHBondContact O-CE1 3.3Å; R57-H112 VanDerWaalsContact O-CE1 3.31Å; G58-H112 VanDerWaalsContact CA-NE2 3.32Å; G58-H112 WeakPolarHBondContact CA-NE2 3.37Å; G58-H112 PolarHBondContact N-CE1 2.86Å; F108-H112 AromaticContact CE1-CD2 3.65Å; F108-H112 AromaticContact CE1-NE2 3.7Å; F108-H112 AromaticContact CE2-NE2 3.74Å; F108-H112 AromaticContact CZ-CD2 3.71Å; F108-H112 AromaticContact CZ-NE2 3.28Å; F108-H112 VanDerWaalsContact CZ-NE2 3.28Å; F108-H112 WeakPolarHBondContact CZ-NE2 3.3Å; F108-H112 PolarHBondContact O-CD2 2.92Å; F108-H112 PolarHBondContact O-N 3.14Å; A109-H112 PolarHBondContact O-N 2.98Å; L110-H112 PolarHBondContact O-N 2.74Å; H112-Q115 CarbonylContact O-C 3.57Å; H112-Q115 PolarHBondContact O-N 3.38Å; H112-G116 PolarHBondContact O-N 3.2Å; H112-T117 CarbonylContact C-O 3.59Å; H112-T117 WeakPolarHBondContact CB-OG1 3.35Å; H112-T117 PolarHBondContact ND1-OG1 2.8Å; H112-T117 PolarHBondContact O-N 3.39Å; H112-T117 PolarHBondContact O-OG1 2.9Å; H112-T117 VanDerWaalsContact O-OG1 3.09Å; H112-V119 HydrophobicContact CB-CG2 3.25Å; H112-V119 VanDerWaalsContact CD2-CG2 3.44Å; H112-V119 WeakPolarHBondContact CD2-CG2 3.22Å; H112-V119 VanDerWaalsContact CG-CG2 3.42Å
113	R	97.7	Very high	97.3	Very high	79 Å²	79	38.9 Å²	38.9	30%	0.298	20%	0.201	S	C	.	.	H	α-helix	trans	-57.7	-47.5	172	-177.8	174.4	-171.1	87.5	4.2	111.4	D33 T35 A109 L110 Q111 Q115 G116 Y137	D33-R113 IonicContact OD2-NH1 3.1Å; D33-R113 PolarHBondContact OD2-NH1 2.91Å; T35-R113 HydrophobicContact CG2-CB 3.77Å; T35-R113 WeakPolarHBondContact OG1-CB 3.37Å; T35-R113 VanDerWaalsContact OG1-CG 3.32Å; T35-R113 WeakPolarHBondContact OG1-CG 3.3Å; T35-R113 PolarHBondContact OG1-NH1 3.24Å; T35-R113 VanDerWaalsContact OG1-NH1 3.17Å; A109-R113 PolarHBondContact O-N 3.21Å; L110-R113 VanDerWaalsContact O-CB 3.32Å; L110-R113 WeakPolarHBondContact O-CB 3.26Å; L110-R113 PolarHBondContact O-N 2.89Å; Q111-R113 VanDerWaalsContact C-N 3.33Å; Q111-R113 PolarHBondContact O-N 3.18Å; R113-Q115 PolarHBondContact O-N 3.49Å; R113-G116 PolarHBondContact O-N 3.4Å; R113-Y137 PolarHBondContact NH1-OH 3.4Å
114	L	97.4	Very high	96.8	Very high	140 Å²	140	37.4 Å²	37.4	73%	0.733	19%	0.194	S	C	*	.	H	α-helix	trans	-61.4	-30.6	178.3	-68.1	173.5	0	0	0	112.5	L110 Q111 G116	L110-L114 WeakPolarHBondContact O-CG 3.44Å; L110-L114 PolarHBondContact O-N 2.77Å; Q111-L114 PolarHBondContact O-N 2.98Å; L114-G116 VanDerWaalsContact C-N 3.3Å
115	Q	96.9	Very high	96.2	Very high	124 Å²	124	34.2 Å²	34.2	58%	0.579	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.7	177.4	-64	168.9	14.1	0	0	113.5	Q111 H112 R113 T117	Q111-Q115 WeakPolarHBondContact O-CG 3.45Å; Q111-Q115 PolarHBondContact O-N 3Å; H112-Q115 CarbonylContact O-C 3.57Å; H112-Q115 PolarHBondContact O-N 3.38Å; R113-Q115 PolarHBondContact O-N 3.49Å; Q115-T117 VanDerWaalsContact C-N 3.26Å; Q115-T117 HydrophobicContact CB-CG2 4.26Å; Q115-T117 PolarHBondContact O-N 3.42Å
116	G	97.5	Very high	95.8	Very high	57 Å²	57	34.1 Å²	34.1	59%	0.588	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.1	25.3	-175.8	0	0	0	0	0	113.6	N55 H112 R113 L114	N55-G116 PolarHBondContact ND2-O 2.96Å; N55-G116 VanDerWaalsContact ND2-O 3.16Å; H112-G116 PolarHBondContact O-N 3.2Å; R113-G116 PolarHBondContact O-N 3.4Å; L114-G116 VanDerWaalsContact C-N 3.3Å
117	T	98.3	Very high	95.4	Very high	21 Å²	21	37.5 Å²	37.5	13%	0.129	19%	0.194	C	C	.	.			trans	-112.2	161.3	-179.8	62.5	0	0	0	0	111	R57 H112 Q115	R57-T117 HydrophobicContact CB-CG2 4.02Å; R57-T117 HydrophobicContact CG-CG2 3.57Å; H112-T117 CarbonylContact C-O 3.59Å; H112-T117 WeakPolarHBondContact CB-OG1 3.35Å; H112-T117 PolarHBondContact ND1-OG1 2.8Å; H112-T117 PolarHBondContact O-N 3.39Å; H112-T117 PolarHBondContact O-OG1 2.9Å; H112-T117 VanDerWaalsContact O-OG1 3.09Å; Q115-T117 VanDerWaalsContact C-N 3.26Å; Q115-T117 HydrophobicContact CB-CG2 4.26Å; Q115-T117 PolarHBondContact O-N 3.42Å
118	S	98.5	Very high	95	Very high	4 Å²	4	34.4 Å²	34.4	3%	0.028	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	154.1	-178.8	-59.1	0	0	0	0	112.6	E34 T35 E54 N55 V56 R57 G58	E34-S118 PolarHBondContact O-OG 2.69Å; T35-S118 CarbonylContact O-C 3.53Å; T35-S118 WeakPolarHBondContact O-CA 3.36Å; T35-S118 VanDerWaalsContact O-CB 3.24Å; T35-S118 WeakPolarHBondContact O-CB 3.29Å; E54-S118 VanDerWaalsContact O-CB 3.26Å; E54-S118 WeakPolarHBondContact O-CB 3.49Å; E54-S118 PolarHBondContact O-OG 2.85Å; E54-S118 VanDerWaalsContact O-OG 3.14Å; N55-S118 PolarHBondContact O-N 3.43Å; V56-S118 WeakPolarHBondContact CA-O 3.36Å; R57-S118 PolarHBondContact N-O 3.33Å; G58-S118 PolarHBondContact N-O 2.87Å
119	V	98.6	Very high	94.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.8	178.3	-178.2	0	0	0	0	110.7	T35 I37 G58 V60 F108 H112 V121	T35-V119 HydrophobicContact CG2-CG2 4.49Å; T35-V119 PolarHBondContact O-N 3.35Å; I37-V119 PolarHBondContact N-O 2.84Å; G58-V119 CarbonylContact O-C 3.56Å; G58-V119 VanDerWaalsContact O-CA 3.27Å; G58-V119 WeakPolarHBondContact O-CA 3.41Å; V60-V119 HydrophobicContact CG2-CG1 3.85Å; F108-V119 HydrophobicContact CD1-CG1 4.14Å; F108-V119 HydrophobicContact CE1-CG1 3.97Å; F108-V119 HydrophobicContact CE1-CG2 4.45Å; H112-V119 HydrophobicContact CB-CG2 3.25Å; H112-V119 VanDerWaalsContact CD2-CG2 3.44Å; H112-V119 WeakPolarHBondContact CD2-CG2 3.22Å; H112-V119 VanDerWaalsContact CG-CG2 3.42Å; V119-V121 HydrophobicContact CG1-CG2 3.94Å
120	Y	98.4	Very high	94.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	108.6	173.7	-168.2	-91.7	0	0	0	110.5	F29 I37 G39 A40 P42 L50 G58 V59 V60 H122	F29-Y120 HydrophobicContact CB-CE2 3.65Å; F29-Y120 HydrophobicContact CD1-CE2 4.08Å; F29-Y120 HydrophobicContact CD2-CE2 4.5Å; F29-Y120 AromaticContact CG-CE2 3.85Å; F29-Y120 HydrophobicContact CG-CE2 3.85Å; I37-Y120 HydrophobicContact CB-CD2 3.99Å; I37-Y120 HydrophobicContact CG2-CD2 3.62Å; I37-Y120 HydrophobicContact CG2-CE2 3.81Å; G39-Y120 WeakPolarHBondContact CA-OH 3.4Å; A40-Y120 WeakPolarHBondContact O-CE1 3.33Å; A40-Y120 PolarHBondContact O-OH 3.46Å; P42-Y120 HydrophobicContact CB-CD1 4.24Å; P42-Y120 HydrophobicContact CB-CE1 3.83Å; P42-Y120 HydrophobicContact CG-CD1 4.29Å; P42-Y120 HydrophobicContact CG-CE1 4.04Å; L50-Y120 HydrophobicContact CD1-CD2 4.32Å; L50-Y120 HydrophobicContact CD1-CE2 4.44Å; L50-Y120 HydrophobicContact CD1-CG 4.44Å; L50-Y120 HydrophobicContact CD2-CD2 3.51Å; L50-Y120 HydrophobicContact CD2-CE2 3.65Å; L50-Y120 HydrophobicContact CD2-CG 4.32Å; G58-Y120 PolarHBondContact O-N 3.49Å; V59-Y120 WeakPolarHBondContact CA-O 3.3Å; V59-Y120 HydrophobicContact CG2-CD1 4.31Å; V59-Y120 WeakPolarHBondContact CG2-O 3.48Å; V60-Y120 PolarHBondContact N-O 3.37Å; Y120-H122 HydrophobicContact CD1-CB 3.94Å; Y120-H122 HydrophobicContact CE1-CB 3.55Å
121	V	97.8	Very high	94.4	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	118.9	-179	-174.9	0	0	0	0	109.5	V36 I37 G39 V60 V119 L133 V134	V36-V121 HydrophobicContact CG1-CG2 4.06Å; I37-V121 PolarHBondContact O-N 2.99Å; G39-V121 PolarHBondContact N-O 3.28Å; G39-V121 VanDerWaalsContact N-O 3.13Å; V60-V121 HydrophobicContact CB-CG1 4.26Å; V60-V121 HydrophobicContact CB-CG2 4.27Å; V60-V121 HydrophobicContact CG2-CG2 4.31Å; V119-V121 HydrophobicContact CG1-CG2 3.94Å; V121-L133 HydrophobicContact CG1-CB 4.41Å; V121-L133 HydrophobicContact CG1-CD2 3.85Å; V121-L133 HydrophobicContact CG1-CG 4.37Å; V121-V134 HydrophobicContact CB-CG2 3.8Å; V121-V134 HydrophobicContact CG1-CG2 3.79Å; V121-V134 HydrophobicContact CG2-CG2 4.15Å
122	H	94.4	Very high	94.3	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	156.1	-174.3	83	90.8	0	0	0	114.7	G39 P42 V60 T61 M62 N63 Y120 S130	G39-H122 WeakPolarHBondContact O-CA 3.31Å; G39-H122 WeakPolarHBondContact O-CB 3.49Å; P42-H122 VanDerWaalsContact CD-CE1 3.47Å; P42-H122 WeakPolarHBondContact CD-CE1 3.49Å; P42-H122 WeakPolarHBondContact CD-ND1 3.47Å; V60-H122 PolarHBondContact O-CD2 2.89Å; V60-H122 PolarHBondContact O-N 3.18Å; T61-H122 PolarHBondContact OG1-NE2 3.02Å; M62-H122 WeakPolarHBondContact CB-O 3.44Å; M62-H122 PolarHBondContact N-O 2.97Å; N63-H122 PolarHBondContact OD1-CE1 3.35Å; N63-H122 PolarHBondContact OD1-ND1 3.44Å; Y120-H122 HydrophobicContact CD1-CB 3.94Å; Y120-H122 HydrophobicContact CE1-CB 3.55Å; H122-S130 VanDerWaalsContact C-CB 3.44Å
123	C	89.5	Confident	94.3	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.034	16%	0.158	C	C	.	.			trans	-127	-140.6	162.5	64.9	0	0	0	0	107.7	L41 M62 N63 G126 R129 S130	L41-C123 WeakPolarHBondContact CD2-O 3.49Å; M62-C123 HydrophobicContact CB-CB 4.32Å; N63-C123 WeakPolarHBondContact OD1-CA 3.48Å; N63-C123 PolarHBondContact OD1-O 3.22Å; N63-C123 VanDerWaalsContact OD1-O 3.06Å; C123-G126 PolarHBondContact SG-N 3.49Å; C123-G126 VanDerWaalsContact SG-N 3.39Å; C123-R129 HydrophobicContact CB-CB 3.82Å; C123-S130 PolarHBondContact N-OG 2.94Å; C123-S130 PolarHBondContact SG-OG 3.26Å
124	K	85.3	Confident	94.3	Very high	28 Å²	28	26 Å²	26	12%	0.122	14%	0.144	C	C	.	.	S	Bend	trans	-71.6	-55.3	173.4	-173.6	163.9	104	177.7	0	113.3	F10 T13 L14 A40 L41 N63	F10-K124 HydrophobicContact CD2-CD 3.51Å; F10-K124 HydrophobicContact CE2-CB 4.38Å; F10-K124 HydrophobicContact CE2-CD 3.09Å; F10-K124 HydrophobicContact CE2-CG 3.91Å; F10-K124 HydrophobicContact CG-CD 4.43Å; F10-K124 HydrophobicContact CZ-CD 3.74Å; F10-K124 HydrophobicContact CZ-CG 4.29Å; F10-K124 PolarHBondContact O-NZ 3.41Å; T13-K124 PolarHBondContact OG1-NZ 3.07Å; L14-K124 HydrophobicContact CB-CD 4.38Å; L14-K124 HydrophobicContact CD1-CG 4.11Å; A40-K124 WeakPolarHBondContact CB-O 3.35Å; L41-K124 HydrophobicContact CD1-CG 4.44Å; L41-K124 PolarHBondContact N-O 2.99Å; N63-K124 PolarHBondContact ND2-N 3.43Å
125	A	85.4	Confident	94.3	Very high	18 Å²	18	19.3 Å²	19.3	15%	0.149	11%	0.109	C	C	.	.	S	Bend	trans	-110.5	-4.9	-173.8	0	0	0	0	0	113.3	R127 R157	A125-R127 HydrophobicContact CB-CB 4.42Å; A125-R127 HydrophobicContact CB-CG 3.85Å; A125-R157 PolarHBondContact O-NH2 3.44Å
126	G	88.3	Confident	94.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.082	C	C	.	.	S	Bend	trans	68	35.4	-173.6	0	0	0	0	0	113.5	G39 C123 S130 R157	G39-G126 VanDerWaalsContact C-CA 3.48Å; G39-G126 WeakPolarHBondContact O-CA 3.45Å; G39-G126 PolarHBondContact O-N 3.26Å; C123-G126 PolarHBondContact SG-N 3.49Å; C123-G126 VanDerWaalsContact SG-N 3.39Å; G126-S130 WeakPolarHBondContact CA-OG 3.46Å; G126-R157 PolarHBondContact O-NE 3.09Å
127	R	89.9	Confident	94.4	Very high	73 Å²	73	10.9 Å²	10.9	28%	0.275	5%	0.054	S	C	.	.	S	Bend	trans	-118.5	-38.1	-170.4	-65.3	179.3	68.2	-162.1	-1.6	114.9	A125 A131 H159 I160 L161	A125-R127 HydrophobicContact CB-CB 4.42Å; A125-R127 HydrophobicContact CB-CG 3.85Å; R127-A131 VanDerWaalsContact O-CB 3.26Å; R127-A131 WeakPolarHBondContact O-CB 3.37Å; R127-H159 WeakPolarHBondContact CG-O 3.43Å; R127-H159 PolarHBondContact NE-O 2.86Å; R127-H159 PolarHBondContact NH2-O 3.35Å; R127-I160 CarbonylContact O-C 3.17Å; R127-I160 WeakPolarHBondContact O-CA 3.37Å; R127-L161 PolarHBondContact O-N 3.48Å
128	S	90.7	Very high	94.4	Very high	26 Å²	26	10.1 Å²	10.1	18%	0.182	5%	0.049	C	C	.	.	S	Bend	trans	-124.6	-78.8	-167.6	-169.3	0	0	0	0	111.8	S130 A131 T132 L161 Q166	S128-S130 PolarHBondContact O-N 3.11Å; S128-A131 PolarHBondContact O-N 3.07Å; S128-T132 PolarHBondContact O-N 2.77Å; S128-T132 PolarHBondContact O-OG1 3.22Å; S128-L161 WeakPolarHBondContact CA-O 3.27Å; S128-L161 VanDerWaalsContact CB-O 3.3Å; S128-L161 WeakPolarHBondContact CB-O 3.33Å; S128-L161 PolarHBondContact OG-O 3.28Å; S128-Q166 PolarHBondContact OG-NE2 3.21Å
129	R	91.8	Very high	94.4	Very high	39 Å²	39	9.9 Å²	9.9	15%	0.147	5%	0.048	C	C	.	.	H	α-helix	trans	-47.7	-59.9	177.3	-73.1	175.1	-79	174.3	-8.8	112.8	M62 E67 T90 G95 C123 A131 T132 L133	M62-R129 HydrophobicContact CB-CB 4.2Å; M62-R129 PolarHBondContact O-NH1 3.4Å; M62-R129 VanDerWaalsContact SD-C 3.51Å; M62-R129 HydrophobicContact SD-CB 4.34Å; M62-R129 VanDerWaalsContact SD-O 3.34Å; E67-R129 IonicContact OE1-CZ 3.79Å; E67-R129 IonicContact OE1-NH1 2.88Å; E67-R129 IonicContact OE1-NH2 3.19Å; E67-R129 PolarHBondContact OE1-NH2 3Å; E67-R129 VanDerWaalsContact OE1-NH2 3.09Å; E67-R129 IonicContact OE2-CZ 3Å; E67-R129 IonicContact OE2-NH1 3.09Å; E67-R129 PolarHBondContact OE2-NH1 3.24Å; E67-R129 IonicContact OE2-NH2 3.95Å; T90-R129 HydrophobicContact CG2-CG 4.37Å; T90-R129 VanDerWaalsContact OG1-CD 3.3Å; T90-R129 WeakPolarHBondContact OG1-CD 3.46Å; G95-R129 WeakPolarHBondContact O-CG 3.49Å; C123-R129 HydrophobicContact CB-CB 3.82Å; R129-A131 PolarHBondContact O-N 3.45Å; R129-T132 WeakPolarHBondContact O-CB 3.41Å; R129-T132 PolarHBondContact O-N 2.8Å; R129-L133 PolarHBondContact O-N 3.37Å
130	S	94.2	Very high	94.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.1	-36.8	179.6	54.6	0	0	0	0	113.6	L38 M62 H122 C123 G126 S128 T132 L133 V134	L38-S130 VanDerWaalsContact CD1-OG 3.3Å; L38-S130 WeakPolarHBondContact CD1-OG 3.43Å; M62-S130 VanDerWaalsContact SD-CA 3.51Å; H122-S130 VanDerWaalsContact C-CB 3.44Å; C123-S130 PolarHBondContact N-OG 2.94Å; C123-S130 PolarHBondContact SG-OG 3.26Å; G126-S130 WeakPolarHBondContact CA-OG 3.46Å; S128-S130 PolarHBondContact O-N 3.11Å; S130-T132 PolarHBondContact O-N 3.36Å; S130-L133 PolarHBondContact O-N 2.78Å; S130-V134 WeakPolarHBondContact O-CG2 3.38Å; S130-V134 PolarHBondContact O-N 3.39Å
131	A	95.9	Very high	94.2	Very high	0 Å²	0	18 Å²	18	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.3	-34.9	175.5	0	0	0	0	0	111.7	L38 R127 S128 R129 V134 A135 L153 I160	L38-A131 HydrophobicContact CD2-CB 4.05Å; R127-A131 VanDerWaalsContact O-CB 3.26Å; R127-A131 WeakPolarHBondContact O-CB 3.37Å; S128-A131 PolarHBondContact O-N 3.07Å; R129-A131 PolarHBondContact O-N 3.45Å; A131-V134 PolarHBondContact O-N 3.06Å; A131-A135 WeakPolarHBondContact O-CB 3.41Å; A131-A135 PolarHBondContact O-N 3.12Å; A131-L153 HydrophobicContact CB-CD2 3.97Å; A131-L153 VanDerWaalsContact O-CD2 3.25Å; A131-L153 WeakPolarHBondContact O-CD2 3.41Å; A131-I160 HydrophobicContact CB-CB 4.13Å; A131-I160 HydrophobicContact CB-CG2 3.87Å
132	T	96.1	Very high	94.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.1	-44.8	175.5	-49.7	0	0	0	0	110.7	P97 L102 S128 R129 S130 V134 A135 A136 Q166 L170	P97-T132 HydrophobicContact CG-CG2 4.31Å; L102-T132 HydrophobicContact CD2-CG2 4.48Å; S128-T132 PolarHBondContact O-N 2.77Å; S128-T132 PolarHBondContact O-OG1 3.22Å; R129-T132 WeakPolarHBondContact O-CB 3.41Å; R129-T132 PolarHBondContact O-N 2.8Å; S130-T132 PolarHBondContact O-N 3.36Å; T132-V134 PolarHBondContact O-N 3.34Å; T132-A135 PolarHBondContact O-N 2.9Å; T132-A136 PolarHBondContact O-N 3Å; T132-Q166 HydrophobicContact CG2-CB 3.92Å; T132-Q166 HydrophobicContact CG2-CG 4.22Å; T132-Q166 VanDerWaalsContact OG1-CG 3.29Å; T132-Q166 WeakPolarHBondContact OG1-CG 3.35Å; T132-L170 HydrophobicContact CG2-CD1 4.25Å; T132-L170 HydrophobicContact CG2-CD2 4.05Å; T132-L170 HydrophobicContact CG2-CG 3.96Å; T132-L170 WeakPolarHBondContact O-CD2 3.47Å
133	L	97.4	Very high	94.2	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	13%	0.126	C	C	.	.	H	α-helix	trans	-63.4	-42.3	176.3	179.5	63	0	0	0	112.3	V60 M62 L88 L102 V106 V121 R129 S130 A135 A136 Y137	V60-L133 HydrophobicContact CB-CD2 4.31Å; V60-L133 HydrophobicContact CG1-CD2 3.54Å; M62-L133 HydrophobicContact CE-CB 4.09Å; M62-L133 HydrophobicContact CE-CD2 4.33Å; M62-L133 HydrophobicContact CG-CD2 4.48Å; M62-L133 HydrophobicContact SD-CB 3.63Å; M62-L133 HydrophobicContact SD-CD2 3.84Å; M62-L133 HydrophobicContact SD-CG 4.39Å; L88-L133 HydrophobicContact CD1-CD2 4.16Å; L102-L133 HydrophobicContact CD2-CB 4.38Å; L102-L133 HydrophobicContact CD2-CD1 3.94Å; V106-L133 HydrophobicContact CG2-CD1 4.09Å; V121-L133 HydrophobicContact CG1-CB 4.41Å; V121-L133 HydrophobicContact CG1-CD2 3.85Å; V121-L133 HydrophobicContact CG1-CG 4.37Å; R129-L133 PolarHBondContact O-N 3.37Å; S130-L133 PolarHBondContact O-N 2.78Å; L133-A135 VanDerWaalsContact C-N 3.33Å; L133-A135 PolarHBondContact O-N 3.4Å; L133-A136 WeakPolarHBondContact O-CB 3.46Å; L133-A136 PolarHBondContact O-N 3.18Å; L133-Y137 PolarHBondContact O-N 2.97Å
134	V	98.1	Very high	94.6	Very high	2 Å²	2	29 Å²	29	1%	0.012	14%	0.138	C	C	.	.	H	α-helix	trans	-65.5	-37.5	177.1	173.7	0	0	0	0	111.6	V32 V36 L38 V121 S130 A131 T132 A136 Y137 L138 L153	V32-V134 HydrophobicContact CB-CG1 4.44Å; V32-V134 HydrophobicContact CG1-CG1 4.05Å; V32-V134 HydrophobicContact CG2-CG1 4.02Å; V36-V134 HydrophobicContact CG1-CB 4.47Å; V36-V134 HydrophobicContact CG1-CG1 3.98Å; V36-V134 HydrophobicContact CG1-CG2 3.74Å; L38-V134 HydrophobicContact CB-CG2 4.26Å; L38-V134 HydrophobicContact CD1-CG2 4.06Å; V121-V134 HydrophobicContact CB-CG2 3.8Å; V121-V134 HydrophobicContact CG1-CG2 3.79Å; V121-V134 HydrophobicContact CG2-CG2 4.15Å; S130-V134 WeakPolarHBondContact O-CG2 3.38Å; S130-V134 PolarHBondContact O-N 3.39Å; A131-V134 PolarHBondContact O-N 3.06Å; T132-V134 PolarHBondContact O-N 3.34Å; V134-A136 VanDerWaalsContact C-N 3.34Å; V134-Y137 WeakPolarHBondContact O-CB 2.96Å; V134-Y137 PolarHBondContact O-N 3.03Å; V134-L138 WeakPolarHBondContact O-CG 3.3Å; V134-L138 PolarHBondContact O-N 3.43Å; V134-L153 HydrophobicContact CB-CD2 4.14Å; V134-L153 HydrophobicContact CG1-CD1 3.65Å; V134-L153 HydrophobicContact CG1-CD2 4.04Å
135	A	98.1	Very high	95.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.8	-42	172.3	0	0	0	0	0	111.4	A131 T132 L133 Y137 L138 I139 A149 L153 L170	A131-A135 WeakPolarHBondContact O-CB 3.41Å; A131-A135 PolarHBondContact O-N 3.12Å; T132-A135 PolarHBondContact O-N 2.9Å; L133-A135 VanDerWaalsContact C-N 3.33Å; L133-A135 PolarHBondContact O-N 3.4Å; A135-Y137 VanDerWaalsContact C-N 3.32Å; A135-Y137 PolarHBondContact O-N 3.44Å; A135-L138 PolarHBondContact O-N 2.91Å; A135-I139 VanDerWaalsContact O-CG1 3.31Å; A135-I139 WeakPolarHBondContact O-CG1 3.13Å; A135-I139 PolarHBondContact O-N 3.02Å; A135-A149 HydrophobicContact CB-CB 4.46Å; A135-L153 HydrophobicContact CB-CD2 4.45Å; A135-L170 HydrophobicContact CB-CD1 3.8Å; A135-L170 HydrophobicContact CB-CD2 4.09Å
136	A	98.1	Very high	95.8	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.2	-39.1	174	0	0	0	0	0	112.4	L102 V106 T132 L133 V134 I139 R140 L170 Y173	L102-A136 HydrophobicContact CB-CB 4.37Å; L102-A136 HydrophobicContact CD1-CB 4.38Å; L102-A136 HydrophobicContact CD2-CB 4Å; L102-A136 HydrophobicContact CG-CB 4.49Å; V106-A136 HydrophobicContact CG2-CB 3.83Å; T132-A136 PolarHBondContact O-N 3Å; L133-A136 WeakPolarHBondContact O-CB 3.46Å; L133-A136 PolarHBondContact O-N 3.18Å; V134-A136 VanDerWaalsContact C-N 3.34Å; A136-I139 WeakPolarHBondContact O-CB 3.14Å; A136-I139 PolarHBondContact O-N 2.91Å; A136-R140 PolarHBondContact O-N 3.49Å; A136-L170 HydrophobicContact CB-CD2 3.81Å; A136-Y173 HydrophobicContact CB-CD1 3.86Å; A136-Y173 HydrophobicContact CB-CE1 3.85Å; A136-Y173 HydrophobicContact CB-CG 4.36Å; A136-Y173 WeakPolarHBondContact O-CE1 3.47Å
137	Y	98.4	Very high	96.2	Very high	3 Å²	3	33 Å²	33	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-45.4	173.3	163.9	-95.3	0	0	0	112	D33 V36 A109 L110 R113 L133 V134 A135 I139 R140 L141	D33-Y137 WeakPolarHBondContact OD2-CE1 3.45Å; D33-Y137 PolarHBondContact OD2-OH 3.22Å; V36-Y137 HydrophobicContact CB-CD1 4.33Å; V36-Y137 HydrophobicContact CB-CE1 4.08Å; V36-Y137 HydrophobicContact CG2-CD1 3.73Å; V36-Y137 HydrophobicContact CG2-CD2 4.16Å; V36-Y137 HydrophobicContact CG2-CE1 3.51Å; V36-Y137 HydrophobicContact CG2-CE2 3.94Å; V36-Y137 HydrophobicContact CG2-CG 4.05Å; A109-Y137 HydrophobicContact CB-CD2 3.77Å; A109-Y137 HydrophobicContact CB-CE2 4.07Å; L110-Y137 HydrophobicContact CD2-CD2 4.31Å; L110-Y137 HydrophobicContact CD2-CE2 3.9Å; L110-Y137 HydrophobicContact CG-CE2 4.49Å; R113-Y137 PolarHBondContact NH1-OH 3.4Å; L133-Y137 PolarHBondContact O-N 2.97Å; V134-Y137 WeakPolarHBondContact O-CB 2.96Å; V134-Y137 PolarHBondContact O-N 3.03Å; A135-Y137 VanDerWaalsContact C-N 3.32Å; A135-Y137 PolarHBondContact O-N 3.44Å; Y137-I139 PolarHBondContact O-N 3.2Å; Y137-R140 PolarHBondContact O-N 2.74Å; Y137-L141 HydrophobicContact CE1-CD2 4.14Å; Y137-L141 WeakPolarHBondContact O-CB 3.41Å; Y137-L141 PolarHBondContact O-N 3.33Å
138	L	98.2	Very high	96.6	Very high	5 Å²	5	34 Å²	34	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-39.8	177.4	-67.7	174.8	0	0	0	112.4	V32 V134 A135 R140 L141 H142 W144 A149 L153	V32-L138 HydrophobicContact CG1-CD1 4.18Å; V32-L138 HydrophobicContact CG1-CD2 4.15Å; V32-L138 HydrophobicContact CG1-CG 4.5Å; V134-L138 WeakPolarHBondContact O-CG 3.3Å; V134-L138 PolarHBondContact O-N 3.43Å; A135-L138 PolarHBondContact O-N 2.91Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 2.87Å; L138-L141 PolarHBondContact O-N 3.49Å; L138-H142 PolarHBondContact O-CD2 3.01Å; L138-H142 PolarHBondContact O-N 3.16Å; L138-W144 HydrophobicContact CB-CE3 4.31Å; L138-W144 HydrophobicContact CB-CZ3 4.4Å; L138-W144 HydrophobicContact CD2-CZ3 4.48Å; L138-A149 HydrophobicContact CB-CB 4.11Å; L138-L153 HydrophobicContact CD1-CB 4.41Å
139	I	98.2	Very high	96.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-56.5	-49.3	172.4	-70	168.1	0	0	0	109.9	A135 A136 Y137 L141 S143 P146 A149 L170 Y173 Y174 V177	A135-I139 VanDerWaalsContact O-CG1 3.31Å; A135-I139 WeakPolarHBondContact O-CG1 3.13Å; A135-I139 PolarHBondContact O-N 3.02Å; A136-I139 WeakPolarHBondContact O-CB 3.14Å; A136-I139 PolarHBondContact O-N 2.91Å; Y137-I139 PolarHBondContact O-N 3.2Å; I139-L141 VanDerWaalsContact C-N 3.31Å; I139-L141 PolarHBondContact O-N 3.37Å; I139-S143 VanDerWaalsContact O-CA 3.23Å; I139-S143 WeakPolarHBondContact O-CA 3.37Å; I139-S143 PolarHBondContact O-N 3.34Å; I139-P146 HydrophobicContact CD1-CB 4.27Å; I139-P146 HydrophobicContact CD1-CG 4.14Å; I139-A149 HydrophobicContact CD1-CB 4.45Å; I139-A149 HydrophobicContact CG1-CB 3.71Å; I139-L170 HydrophobicContact CD1-CB 4.15Å; I139-L170 HydrophobicContact CD1-CD2 3.97Å; I139-Y173 HydrophobicContact CG2-CD1 4.24Å; I139-Y173 HydrophobicContact CG2-CE1 4.33Å; I139-Y174 HydrophobicContact CG2-CD2 3.74Å; I139-Y174 HydrophobicContact CG2-CG 4.49Å; I139-V177 HydrophobicContact CG2-CG2 4.16Å
140	R	97.3	Very high	97.1	Very high	120 Å²	120	31.7 Å²	31.7	45%	0.453	16%	0.155	S	C	.	.	H	α-helix	trans	-64.9	-35.2	-178.6	-177.2	57.2	177.7	152.7	0.8	112.7	V106 L110 A136 Y137 L138 Y173	V106-R140 HydrophobicContact CG1-CB 3.7Å; V106-R140 HydrophobicContact CG1-CG 3.76Å; L110-R140 HydrophobicContact CD1-CG 3.84Å; A136-R140 PolarHBondContact O-N 3.49Å; Y137-R140 PolarHBondContact O-N 2.74Å; L138-R140 VanDerWaalsContact C-N 3.32Å; L138-R140 PolarHBondContact O-N 2.87Å; R140-Y173 HydrophobicContact CB-CE1 4.36Å
141	L	96.1	Very high	97.3	Very high	51 Å²	51	38.6 Å²	38.6	27%	0.267	19%	0.188	S	C	.	.	H	α-helix	trans	-76.8	-37.2	-177.6	-174.2	62.5	0	0	0	113.1	Y137 L138 I139	Y137-L141 HydrophobicContact CE1-CD2 4.14Å; Y137-L141 WeakPolarHBondContact O-CB 3.41Å; Y137-L141 PolarHBondContact O-N 3.33Å; L138-L141 PolarHBondContact O-N 3.49Å; I139-L141 VanDerWaalsContact C-N 3.31Å; I139-L141 PolarHBondContact O-N 3.37Å
142	H	96.1	Very high	97.4	Very high	82 Å²	82	44.2 Å²	44.2	38%	0.38	21%	0.209	S	C	.	.	H	α-helix	trans	-117.4	-3.4	-169.4	-59.7	-59.8	0	0	0	114.6	L138 W144	L138-H142 PolarHBondContact O-CD2 3.01Å; L138-H142 PolarHBondContact O-N 3.16Å; H142-W144 HydrophobicContact CB-CB 4.46Å; H142-W144 HydrophobicContact CB-CD2 3.52Å; H142-W144 VanDerWaalsContact CB-CE2 3.48Å; H142-W144 HydrophobicContact CB-CE3 4.11Å; H142-W144 HydrophobicContact CB-CG 3.66Å; H142-W144 HydrophobicContact CB-CZ2 4.04Å; H142-W144 AromaticContact CD2-CE3 3.8Å; H142-W144 AromaticContact CD2-CH2 3.54Å; H142-W144 AromaticContact CD2-CZ2 3.82Å; H142-W144 AromaticContact CD2-CZ3 3.52Å; H142-W144 AromaticContact CG-CE2 3.8Å; H142-W144 AromaticContact CG-CZ2 3.83Å; H142-W144 AromaticContact NE2-CH2 3.93Å; H142-W144 PolarHBondContact O-N 3.15Å
143	S	95.9	Very high	97.4	Very high	81 Å²	81	44.2 Å²	44.2	57%	0.566	21%	0.209	S	C	*	.			trans	55.1	28.4	-170.7	-57.2	0	0	0	0	113.1	I139	I139-S143 VanDerWaalsContact O-CA 3.23Å; I139-S143 WeakPolarHBondContact O-CA 3.37Å; I139-S143 PolarHBondContact O-N 3.34Å
144	W	97.2	Very high	97.3	Very high	76 Å²	76	45.8 Å²	45.8	29%	0.288	22%	0.223	S	C	.	.			trans	-71.8	150.7	176.4	-71.8	-16.9	0	0	0	111.6	L138 H142 E148 A149 R152 Y174	L138-W144 HydrophobicContact CB-CE3 4.31Å; L138-W144 HydrophobicContact CB-CZ3 4.4Å; L138-W144 HydrophobicContact CD2-CZ3 4.48Å; H142-W144 HydrophobicContact CB-CB 4.46Å; H142-W144 HydrophobicContact CB-CD2 3.52Å; H142-W144 VanDerWaalsContact CB-CE2 3.48Å; H142-W144 HydrophobicContact CB-CE3 4.11Å; H142-W144 HydrophobicContact CB-CG 3.66Å; H142-W144 HydrophobicContact CB-CZ2 4.04Å; H142-W144 AromaticContact CD2-CE3 3.8Å; H142-W144 AromaticContact CD2-CH2 3.54Å; H142-W144 AromaticContact CD2-CZ2 3.82Å; H142-W144 AromaticContact CD2-CZ3 3.52Å; H142-W144 AromaticContact CG-CE2 3.8Å; H142-W144 AromaticContact CG-CZ2 3.83Å; H142-W144 AromaticContact NE2-CH2 3.93Å; H142-W144 PolarHBondContact O-N 3.15Å; W144-E148 HydrophobicContact CB-CB 3.96Å; W144-E148 HydrophobicContact CG-CB 4.25Å; W144-A149 HydrophobicContact CE3-CB 4.48Å; W144-R152 HydrophobicContact CE3-CB 4.49Å; W144-R152 HydrophobicContact CH2-CB 4.42Å; W144-R152 HydrophobicContact CH2-CG 3.99Å; W144-R152 HydrophobicContact CZ3-CB 3.83Å; W144-R152 HydrophobicContact CZ3-CG 3.69Å; W144-Y174 VanDerWaalsContact O-CD2 3.23Å; W144-Y174 WeakPolarHBondContact O-CD2 3.18Å; W144-Y174 VanDerWaalsContact O-CE2 3.26Å; W144-Y174 WeakPolarHBondContact O-CE2 3.34Å
145	T	97.8	Very high	97.2	Very high	47 Å²	47	49.3 Å²	49.3	29%	0.288	25%	0.247	S	C	.	.			trans	-61.3	154	167.1	62	0	0	0	0	110.4	E147 E148 A149	T145-E147 PolarHBondContact O-N 3.17Å; T145-E148 WeakPolarHBondContact CB-OE2 3.41Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.21Å; T145-E148 PolarHBondContact N-OE2 3.25Å; T145-E148 PolarHBondContact O-N 3.18Å; T145-E148 WeakPolarHBondContact OG1-CB 3.34Å; T145-E148 WeakPolarHBondContact OG1-CG 3.36Å; T145-E148 PolarHBondContact OG1-N 2.97Å; T145-E148 PolarHBondContact OG1-OE2 3.41Å; T145-A149 PolarHBondContact O-N 2.55Å
146	P	97.5	Very high	97.1	Very high	4 Å²	4	50.5 Å²	50.5	3%	0.026	25%	0.253	C	S	.	.	H	α-helix	trans	-51.9	-38	174.8	-30.3	38.2	0	0	0	113.8	I139 C150 L167 L170 R171 Y174	I139-P146 HydrophobicContact CD1-CB 4.27Å; I139-P146 HydrophobicContact CD1-CG 4.14Å; P146-C150 WeakPolarHBondContact O-CB 3.28Å; P146-C150 PolarHBondContact O-N 3.15Å; P146-C150 PolarHBondContact O-SG 2.92Å; P146-L167 HydrophobicContact CB-CD1 3.74Å; P146-L170 HydrophobicContact CB-CB 3.84Å; P146-L170 HydrophobicContact CG-CB 4.23Å; P146-R171 HydrophobicContact CB-CG 4.24Å; P146-R171 HydrophobicContact CG-CB 4.4Å; P146-R171 HydrophobicContact CG-CG 3.79Å; P146-Y174 HydrophobicContact CG-CG 4.36Å
147	E	97	Very high	96.9	Very high	80 Å²	80	50.6 Å²	50.6	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-66	-47.9	178.9	-69.3	73	-165.3	0	0	111.6	T145 C150 Q151 R171	T145-E147 PolarHBondContact O-N 3.17Å; E147-C150 PolarHBondContact O-N 3.33Å; E147-Q151 WeakPolarHBondContact O-CB 3.36Å; E147-Q151 PolarHBondContact O-N 2.87Å; E147-R171 IonicContact OE1-CZ 2.69Å; E147-R171 IonicContact OE1-NE 3.88Å; E147-R171 PolarHBondContact OE1-NE 3.37Å; E147-R171 IonicContact OE1-NH2 2.66Å; E147-R171 PolarHBondContact OE1-NH2 3.08Å
148	E	97.8	Very high	96.6	Very high	93 Å²	93	55.2 Å²	55.2	44%	0.435	28%	0.284	S	S	.	.	H	α-helix	trans	-61.3	-45.7	176.5	-74.7	164.8	144.7	0	0	111.7	W144 T145 C150 Q151 R152	W144-E148 HydrophobicContact CB-CB 3.96Å; W144-E148 HydrophobicContact CG-CB 4.25Å; T145-E148 WeakPolarHBondContact CB-OE2 3.41Å; T145-E148 WeakPolarHBondContact CG2-OE2 3.21Å; T145-E148 PolarHBondContact N-OE2 3.25Å; T145-E148 PolarHBondContact O-N 3.18Å; T145-E148 WeakPolarHBondContact OG1-CB 3.34Å; T145-E148 WeakPolarHBondContact OG1-CG 3.36Å; T145-E148 PolarHBondContact OG1-N 2.97Å; T145-E148 PolarHBondContact OG1-OE2 3.41Å; E148-C150 VanDerWaalsContact C-N 3.35Å; E148-C150 PolarHBondContact O-N 2.67Å; E148-Q151 PolarHBondContact O-N 3.13Å; E148-R152 WeakPolarHBondContact O-CB 3.47Å; E148-R152 PolarHBondContact O-N 3.38Å
149	A	97.8	Very high	96.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.3	-43.4	177.7	0	0	0	0	0	111.7	A135 L138 I139 W144 T145 R152 L153	A135-A149 HydrophobicContact CB-CB 4.46Å; L138-A149 HydrophobicContact CB-CB 4.11Å; I139-A149 HydrophobicContact CD1-CB 4.45Å; I139-A149 HydrophobicContact CG1-CB 3.71Å; W144-A149 HydrophobicContact CE3-CB 4.48Å; T145-A149 PolarHBondContact O-N 2.55Å; A149-R152 PolarHBondContact O-N 2.74Å; A149-L153 WeakPolarHBondContact O-CB 3.39Å; A149-L153 PolarHBondContact O-N 2.83Å
150	C	97.1	Very high	95.9	Very high	17 Å²	17	57.5 Å²	57.5	12%	0.115	30%	0.295	C	S	.	.	H	α-helix	trans	-66.6	-41.2	176.5	-70.3	0	0	0	0	112.1	P146 E147 E148 L153 A154	P146-C150 WeakPolarHBondContact O-CB 3.28Å; P146-C150 PolarHBondContact O-N 3.15Å; P146-C150 PolarHBondContact O-SG 2.92Å; E147-C150 PolarHBondContact O-N 3.33Å; E148-C150 VanDerWaalsContact C-N 3.35Å; E148-C150 PolarHBondContact O-N 2.67Å; C150-L153 PolarHBondContact O-N 3.03Å; C150-A154 WeakPolarHBondContact O-CB 3.32Å; C150-A154 PolarHBondContact O-N 3.31Å
151	Q	97.2	Very high	95.5	Very high	146 Å²	146	55 Å²	55	68%	0.682	29%	0.29	S	S	*	.	H	α-helix	trans	-63.8	-43.9	177.3	-175.8	178.1	7.9	0	0	111	E147 E148 L153 A154 S155	E147-Q151 WeakPolarHBondContact O-CB 3.36Å; E147-Q151 PolarHBondContact O-N 2.87Å; E148-Q151 PolarHBondContact O-N 3.13Å; Q151-L153 VanDerWaalsContact C-N 3.34Å; Q151-L153 PolarHBondContact O-N 3.12Å; Q151-A154 PolarHBondContact O-N 3.16Å; Q151-S155 PolarHBondContact O-N 3.28Å
152	R	97.4	Very high	95.2	Very high	118 Å²	118	54.3 Å²	54.3	45%	0.445	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-47.6	175	178.9	57.5	179.4	149.3	-3.3	110.7	W144 E148 A149 A154 S155 I156	W144-R152 HydrophobicContact CE3-CB 4.49Å; W144-R152 HydrophobicContact CH2-CB 4.42Å; W144-R152 HydrophobicContact CH2-CG 3.99Å; W144-R152 HydrophobicContact CZ3-CB 3.83Å; W144-R152 HydrophobicContact CZ3-CG 3.69Å; E148-R152 WeakPolarHBondContact O-CB 3.47Å; E148-R152 PolarHBondContact O-N 3.38Å; A149-R152 PolarHBondContact O-N 2.74Å; R152-A154 VanDerWaalsContact C-N 3.31Å; R152-A154 PolarHBondContact O-N 3.23Å; R152-S155 PolarHBondContact NH1-OG 3.25Å; R152-S155 WeakPolarHBondContact O-CB 3.34Å; R152-S155 PolarHBondContact O-N 3.49Å; R152-S155 VanDerWaalsContact O-N 3.16Å; R152-S155 PolarHBondContact O-OG 3.18Å; R152-I156 HydrophobicContact CG-CD1 4.45Å; R152-I156 PolarHBondContact O-N 3.24Å
153	L	96.3	Very high	95	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-37.2	179.4	-167.1	60.7	0	0	0	112.2	V32 L38 A131 V134 A135 L138 A149 C150 Q151 S155 I156 R157 I160	V32-L153 HydrophobicContact CG1-CD1 3.98Å; V32-L153 HydrophobicContact CG2-CD1 3.78Å; L38-L153 HydrophobicContact CD2-CD1 3.83Å; L38-L153 HydrophobicContact CD2-CD2 3.95Å; L38-L153 HydrophobicContact CD2-CG 4.09Å; A131-L153 HydrophobicContact CB-CD2 3.97Å; A131-L153 VanDerWaalsContact O-CD2 3.25Å; A131-L153 WeakPolarHBondContact O-CD2 3.41Å; V134-L153 HydrophobicContact CB-CD2 4.14Å; V134-L153 HydrophobicContact CG1-CD1 3.65Å; V134-L153 HydrophobicContact CG1-CD2 4.04Å; A135-L153 HydrophobicContact CB-CD2 4.45Å; L138-L153 HydrophobicContact CD1-CB 4.41Å; A149-L153 WeakPolarHBondContact O-CB 3.39Å; A149-L153 PolarHBondContact O-N 2.83Å; C150-L153 PolarHBondContact O-N 3.03Å; Q151-L153 VanDerWaalsContact C-N 3.34Å; Q151-L153 PolarHBondContact O-N 3.12Å; L153-S155 VanDerWaalsContact C-N 3.33Å; L153-S155 PolarHBondContact O-N 3.04Å; L153-I156 PolarHBondContact O-N 3.48Å; L153-R157 PolarHBondContact O-N 2.93Å; L153-I160 HydrophobicContact CB-CD1 3.84Å; L153-I160 HydrophobicContact CD2-CD1 4.08Å; L153-I160 HydrophobicContact CG-CD1 3.86Å; L153-I160 HydrophobicContact CG-CG2 4.45Å
154	A	95.7	Very high	94.8	Very high	37 Å²	37	58.3 Å²	58.3	31%	0.306	30%	0.301	S	S	.	.	H	α-helix	trans	-65.4	-34.6	175	0	0	0	0	0	112.5	C150 Q151 R152 I156 R157 P158 I160	C150-A154 WeakPolarHBondContact O-CB 3.32Å; C150-A154 PolarHBondContact O-N 3.31Å; Q151-A154 PolarHBondContact O-N 3.16Å; R152-A154 VanDerWaalsContact C-N 3.31Å; R152-A154 PolarHBondContact O-N 3.23Å; A154-I156 PolarHBondContact O-N 2.83Å; A154-R157 CarbonylContact O-C 3.55Å; A154-P158 WeakPolarHBondContact O-CA 3.22Å; A154-I160 HydrophobicContact CB-CD1 3.87Å; A154-I160 HydrophobicContact CB-CG1 4.06Å
155	S	96.3	Very high	94.5	Very high	75 Å²	75	57 Å²	57	52%	0.524	31%	0.306	S	S	.	.	H	α-helix	trans	-64	-30.8	175.2	76.5	0	0	0	0	112.8	Q151 R152 L153	Q151-S155 PolarHBondContact O-N 3.28Å; R152-S155 PolarHBondContact NH1-OG 3.25Å; R152-S155 WeakPolarHBondContact O-CB 3.34Å; R152-S155 PolarHBondContact O-N 3.49Å; R152-S155 VanDerWaalsContact O-N 3.16Å; R152-S155 PolarHBondContact O-OG 3.18Å; L153-S155 VanDerWaalsContact C-N 3.33Å; L153-S155 PolarHBondContact O-N 3.04Å
156	I	95.6	Very high	94.3	Very high	25 Å²	25	54.8 Å²	54.8	13%	0.128	29%	0.293	C	S	.	.	H	α-helix	trans	-85.2	-45.5	179.7	-62	167.7	0	0	0	110.4	R27 D30 V32 R152 L153 A154	R27-I156 PolarHBondContact NH2-O 2.98Å; D30-I156 HydrophobicContact CB-CG2 3.98Å; V32-I156 HydrophobicContact CG1-CD1 4.03Å; R152-I156 HydrophobicContact CG-CD1 4.45Å; R152-I156 PolarHBondContact O-N 3.24Å; L153-I156 PolarHBondContact O-N 3.48Å; A154-I156 PolarHBondContact O-N 2.83Å
157	R	94.3	Very high	94.1	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.011	30%	0.3	C	S	.	.	S	Bend	trans	-127.5	86.2	-177.6	-171	168.1	-179.7	85	-6.7	110.2	R27 W28 D30 A125 G126 L153 A154 H159 I160	R27-R157 PolarHBondContact O-NH1 3.01Å; R27-R157 PolarHBondContact O-NH2 3.37Å; W28-R157 PolarHBondContact O-NH2 2.91Å; D30-R157 HydrophobicContact CB-CB 4.38Å; D30-R157 WeakPolarHBondContact OD2-CD 3.34Å; D30-R157 WeakPolarHBondContact OD2-CG 3.42Å; D30-R157 IonicContact OD2-CZ 3.66Å; D30-R157 IonicContact OD2-NE 3.23Å; D30-R157 IonicContact OD2-NH1 3.33Å; D30-R157 PolarHBondContact OD2-NH1 3.23Å; A125-R157 PolarHBondContact O-NH2 3.44Å; G126-R157 PolarHBondContact O-NE 3.09Å; L153-R157 PolarHBondContact O-N 2.93Å; A154-R157 CarbonylContact O-C 3.55Å; R157-H159 WeakPolarHBondContact CG-CE1 3.42Å; R157-H159 PolarHBondContact NE-NE2 3.47Å; R157-H159 PolarHBondContact NH1-CE1 2.89Å; R157-H159 PolarHBondContact NH2-NE2 2.82Å; R157-H159 PolarHBondContact O-N 3Å; R157-I160 HydrophobicContact CB-CG2 3.99Å; R157-I160 HydrophobicContact CG-CG2 3.94Å; R157-I160 WeakPolarHBondContact O-CG2 3.14Å; R157-I160 PolarHBondContact O-N 3.4Å; R157-I160 VanDerWaalsContact O-N 3.13Å
158	P	92.2	Very high	94.1	Very high	100 Å²	100	57.5 Å²	57.5	65%	0.649	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.1	-169.6	-27.9	36.1	0	0	0	116.2	A154	A154-P158 WeakPolarHBondContact O-CA 3.22Å
159	H	89.4	Confident	93.9	Very high	30 Å²	30	54.8 Å²	54.8	14%	0.139	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	9	-179	58.7	-74.7	0	0	0	114.3	R127 R157	R127-H159 WeakPolarHBondContact CG-O 3.43Å; R127-H159 PolarHBondContact NE-O 2.86Å; R127-H159 PolarHBondContact NH2-O 3.35Å; R157-H159 WeakPolarHBondContact CG-CE1 3.42Å; R157-H159 PolarHBondContact NE-NE2 3.47Å; R157-H159 PolarHBondContact NH1-CE1 2.89Å; R157-H159 PolarHBondContact NH2-NE2 2.82Å; R157-H159 PolarHBondContact O-N 3Å
160	I	92.1	Very high	93.9	Very high	22 Å²	22	54.8 Å²	54.8	11%	0.113	29%	0.294	C	S	.	.			trans	-59.7	155.1	169.5	65.7	167.7	0	0	0	111.3	L38 R127 A131 L153 A154 R157	L38-I160 HydrophobicContact CD2-CG2 4.08Å; R127-I160 CarbonylContact O-C 3.17Å; R127-I160 WeakPolarHBondContact O-CA 3.37Å; A131-I160 HydrophobicContact CB-CB 4.13Å; A131-I160 HydrophobicContact CB-CG2 3.87Å; L153-I160 HydrophobicContact CB-CD1 3.84Å; L153-I160 HydrophobicContact CD2-CD1 4.08Å; L153-I160 HydrophobicContact CG-CD1 3.86Å; L153-I160 HydrophobicContact CG-CG2 4.45Å; A154-I160 HydrophobicContact CB-CD1 3.87Å; A154-I160 HydrophobicContact CB-CG1 4.06Å; R157-I160 HydrophobicContact CB-CG2 3.99Å; R157-I160 HydrophobicContact CG-CG2 3.94Å; R157-I160 WeakPolarHBondContact O-CG2 3.14Å; R157-I160 PolarHBondContact O-N 3.4Å; R157-I160 VanDerWaalsContact O-N 3.13Å
161	L	89.2	Confident	93.9	Very high	69 Å²	69	59.2 Å²	59.2	36%	0.361	31%	0.308	S	S	.	.			trans	-144.5	88.5	-179.1	-173.7	68.6	0	0	0	109.4	R127 S128 R163	R127-L161 PolarHBondContact O-N 3.48Å; S128-L161 WeakPolarHBondContact CA-O 3.27Å; S128-L161 VanDerWaalsContact CB-O 3.3Å; S128-L161 WeakPolarHBondContact CB-O 3.33Å; S128-L161 PolarHBondContact OG-O 3.28Å; L161-R163 HydrophobicContact CG-CG 4.2Å
162	V	90.1	Very high	93.8	Very high	35 Å²	35	57.8 Å²	57.8	21%	0.212	30%	0.299	C	S	.	.			trans	-91.6	110.8	169.5	-176	0	0	0	0	106.8	Q166 L167 L170	V162-Q166 HydrophobicContact CG1-CB 3.68Å; V162-L167 HydrophobicContact CG1-CB 4.33Å; V162-L170 HydrophobicContact CG1-CD1 4.13Å
163	R	90.6	Very high	93.8	Very high	158 Å²	158	52.3 Å²	52.3	60%	0.596	28%	0.279	S	S	*	.			trans	-89.3	172.9	179.4	-45.7	172.8	169.4	-107	0.9	109.7	L161 A165 Q166 L167	L161-R163 HydrophobicContact CG-CG 4.2Å; R163-A165 VanDerWaalsContact C-N 3.27Å; R163-A165 PolarHBondContact O-N 3Å; R163-Q166 VanDerWaalsContact N-OE1 3.11Å; R163-Q166 PolarHBondContact O-N 3.45Å; R163-Q166 PolarHBondContact O-OE1 3.39Å; R163-L167 PolarHBondContact O-N 3.13Å
164	S	91.7	Very high	93.9	Very high	90 Å²	90	55.9 Å²	55.9	63%	0.629	29%	0.293	S	S	*	.	H	α-helix	trans	-51.3	-43.7	-177	-44.6	0	0	0	0	113.3	Q166 L167 E168	S164-Q166 PolarHBondContact O-N 2.88Å; S164-L167 PolarHBondContact O-N 2.94Å; S164-E168 WeakPolarHBondContact O-CB 3.42Å; S164-E168 WeakPolarHBondContact O-CG 3.21Å; S164-E168 PolarHBondContact O-N 2.88Å
165	A	91.5	Very high	93.9	Very high	47 Å²	47	60.4 Å²	60.4	39%	0.388	31%	0.307	S	S	.	.	H	α-helix	trans	-66	-37.2	179	0	0	0	0	0	113.4	V96 R163 M169	V96-A165 HydrophobicContact CG2-CB 3.74Å; R163-A165 VanDerWaalsContact C-N 3.27Å; R163-A165 PolarHBondContact O-N 3Å; A165-M169 PolarHBondContact O-N 3.34Å
166	Q	92.9	Very high	93.8	Very high	2 Å²	2	61 Å²	61	1%	0.009	31%	0.305	C	S	.	.	H	α-helix	trans	-68	-40.5	172.4	-71.1	86.6	1.7	0	0	111.3	G95 V96 S128 T132 V162 R163 S164 M169 L170	G95-Q166 PolarHBondContact O-NE2 2.99Å; V96-Q166 HydrophobicContact CG2-CG 4.05Å; S128-Q166 PolarHBondContact OG-NE2 3.21Å; T132-Q166 HydrophobicContact CG2-CB 3.92Å; T132-Q166 HydrophobicContact CG2-CG 4.22Å; T132-Q166 VanDerWaalsContact OG1-CG 3.29Å; T132-Q166 WeakPolarHBondContact OG1-CG 3.35Å; V162-Q166 HydrophobicContact CG1-CB 3.68Å; R163-Q166 VanDerWaalsContact N-OE1 3.11Å; R163-Q166 PolarHBondContact O-N 3.45Å; R163-Q166 PolarHBondContact O-OE1 3.39Å; S164-Q166 PolarHBondContact O-N 2.88Å; Q166-M169 WeakPolarHBondContact O-CB 3.48Å; Q166-M169 PolarHBondContact O-N 3.39Å; Q166-L170 WeakPolarHBondContact O-CG 3.47Å; Q166-L170 PolarHBondContact O-N 2.79Å
167	L	95.1	Very high	93.7	Very high	36 Å²	36	60.6 Å²	60.6	19%	0.188	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-40.4	178.4	-173.5	62.9	0	0	0	111.9	P146 V162 R163 S164 M169 L170 R171	P146-L167 HydrophobicContact CB-CD1 3.74Å; V162-L167 HydrophobicContact CG1-CB 4.33Å; R163-L167 PolarHBondContact O-N 3.13Å; S164-L167 PolarHBondContact O-N 2.94Å; L167-M169 VanDerWaalsContact C-N 3.29Å; L167-M169 PolarHBondContact O-N 3.19Å; L167-L170 WeakPolarHBondContact O-CB 3.44Å; L167-L170 PolarHBondContact O-N 2.62Å; L167-L170 VanDerWaalsContact O-N 3.17Å; L167-R171 WeakPolarHBondContact O-CG 3.12Å; L167-R171 PolarHBondContact O-N 3.16Å
168	E	95.1	Very high	93.3	Very high	105 Å²	105	61.8 Å²	61.8	49%	0.491	31%	0.312	S	S	.	.	H	α-helix	trans	-60	-39.9	172.4	-76.7	171.4	-160.6	0	0	112	S164 L170 R171 K172	S164-E168 WeakPolarHBondContact O-CB 3.42Å; S164-E168 WeakPolarHBondContact O-CG 3.21Å; S164-E168 PolarHBondContact O-N 2.88Å; E168-L170 VanDerWaalsContact C-N 3.35Å; E168-R171 PolarHBondContact O-N 3.12Å; E168-K172 WeakPolarHBondContact O-CG 3.45Å; E168-K172 PolarHBondContact O-N 3.05Å
169	M	94.9	Very high	92.3	Very high	36 Å²	36	59 Å²	59	18%	0.177	30%	0.302	C	S	.	.	H	α-helix	trans	-65.7	-39.2	174.7	-166.9	62.1	64.5	0	0	112	V96 P97 L99 L102 A165 Q166 L167 R171 K172 Y173	V96-M169 HydrophobicContact CG1-CB 3.97Å; V96-M169 HydrophobicContact CG1-CE 4.17Å; V96-M169 HydrophobicContact CG1-CG 4.36Å; P97-M169 WeakPolarHBondContact O-CG 3.23Å; L99-M169 HydrophobicContact CB-SD 4.22Å; L102-M169 HydrophobicContact CD1-CG 3.74Å; A165-M169 PolarHBondContact O-N 3.34Å; Q166-M169 WeakPolarHBondContact O-CB 3.48Å; Q166-M169 PolarHBondContact O-N 3.39Å; L167-M169 VanDerWaalsContact C-N 3.29Å; L167-M169 PolarHBondContact O-N 3.19Å; M169-R171 VanDerWaalsContact C-N 3.32Å; M169-R171 PolarHBondContact O-N 2.64Å; M169-K172 PolarHBondContact O-N 3.16Å; M169-K172 HydrophobicContact SD-CD 4.33Å; M169-Y173 PolarHBondContact O-N 3.43Å
170	L	96.6	Very high	90.7	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.4	-36.3	174.2	-69.7	171.2	0	0	0	112.3	T132 A135 A136 I139 P146 V162 Q166 L167 E168 Y173 Y174	T132-L170 HydrophobicContact CG2-CD1 4.25Å; T132-L170 HydrophobicContact CG2-CD2 4.05Å; T132-L170 HydrophobicContact CG2-CG 3.96Å; T132-L170 WeakPolarHBondContact O-CD2 3.47Å; A135-L170 HydrophobicContact CB-CD1 3.8Å; A135-L170 HydrophobicContact CB-CD2 4.09Å; A136-L170 HydrophobicContact CB-CD2 3.81Å; I139-L170 HydrophobicContact CD1-CB 4.15Å; I139-L170 HydrophobicContact CD1-CD2 3.97Å; P146-L170 HydrophobicContact CB-CB 3.84Å; P146-L170 HydrophobicContact CG-CB 4.23Å; V162-L170 HydrophobicContact CG1-CD1 4.13Å; Q166-L170 WeakPolarHBondContact O-CG 3.47Å; Q166-L170 PolarHBondContact O-N 2.79Å; L167-L170 WeakPolarHBondContact O-CB 3.44Å; L167-L170 PolarHBondContact O-N 2.62Å; L167-L170 VanDerWaalsContact O-N 3.17Å; E168-L170 VanDerWaalsContact C-N 3.35Å; L170-Y173 PolarHBondContact O-N 2.97Å; L170-Y174 WeakPolarHBondContact O-CB 3.47Å; L170-Y174 PolarHBondContact O-N 2.9Å
171	R	97.2	Very high	88.6	Confident	109 Å²	109	65.9 Å²	65.9	41%	0.411	36%	0.36	S	S	.	.	H	α-helix	trans	-64	-42.4	173.4	-71.5	172.9	-175.4	156.6	-1.8	111.9	P146 E147 L167 E168 M169 Y174 Q175	P146-R171 HydrophobicContact CB-CG 4.24Å; P146-R171 HydrophobicContact CG-CB 4.4Å; P146-R171 HydrophobicContact CG-CG 3.79Å; E147-R171 IonicContact OE1-CZ 2.69Å; E147-R171 IonicContact OE1-NE 3.88Å; E147-R171 PolarHBondContact OE1-NE 3.37Å; E147-R171 IonicContact OE1-NH2 2.66Å; E147-R171 PolarHBondContact OE1-NH2 3.08Å; L167-R171 WeakPolarHBondContact O-CG 3.12Å; L167-R171 PolarHBondContact O-N 3.16Å; E168-R171 PolarHBondContact O-N 3.12Å; M169-R171 VanDerWaalsContact C-N 3.32Å; M169-R171 PolarHBondContact O-N 2.64Å; R171-Y174 PolarHBondContact O-N 3.32Å; R171-Q175 WeakPolarHBondContact O-CG 3.25Å; R171-Q175 PolarHBondContact O-N 3.15Å
172	K	96.4	Very high	86.2	Confident	117 Å²	117	70.7 Å²	70.7	51%	0.509	40%	0.4	S	S	.	.	H	α-helix	trans	-61.1	-45.1	173	-69	176.7	-177.5	-178.8	0	111.3	E168 M169 Q175 D176	E168-K172 WeakPolarHBondContact O-CG 3.45Å; E168-K172 PolarHBondContact O-N 3.05Å; M169-K172 PolarHBondContact O-N 3.16Å; M169-K172 HydrophobicContact SD-CD 4.33Å; K172-Q175 PolarHBondContact O-N 3.37Å; K172-D176 PolarHBondContact O-N 3.35Å; K172-D176 VanDerWaalsContact O-N 3.1Å
173	Y	96.9	Very high	86	Confident	3 Å²	3	72.5 Å²	72.5	1%	0.012	41%	0.409	C	S	.	.	H	α-helix	trans	-61.4	-45.6	176.6	-177.5	-98.1	0	0	0	112.4	L99 L102 H103 V106 A136 I139 R140 M169 L170 Q175 D176 V177	L99-Y173 HydrophobicContact CD1-CD2 3.78Å; L99-Y173 HydrophobicContact CD1-CG 4.27Å; L102-Y173 HydrophobicContact CB-CD2 3.86Å; L102-Y173 HydrophobicContact CB-CE2 4.11Å; L102-Y173 HydrophobicContact CB-CG 4.5Å; L102-Y173 HydrophobicContact CD1-CD2 4.34Å; L102-Y173 HydrophobicContact CD1-CG 4.27Å; H103-Y173 AromaticContact CD2-CE2 3.86Å; H103-Y173 AromaticContact CE1-CD2 4Å; H103-Y173 AromaticContact CE1-CE2 3.58Å; H103-Y173 AromaticContact CG-CE2 3.89Å; H103-Y173 AromaticContact ND1-CE2 3.72Å; H103-Y173 AromaticContact NE2-CD2 3.62Å; H103-Y173 AromaticContact NE2-CE2 3.62Å; V106-Y173 WeakPolarHBondContact CG1-OH 3.26Å; A136-Y173 HydrophobicContact CB-CD1 3.86Å; A136-Y173 HydrophobicContact CB-CE1 3.85Å; A136-Y173 HydrophobicContact CB-CG 4.36Å; A136-Y173 WeakPolarHBondContact O-CE1 3.47Å; I139-Y173 HydrophobicContact CG2-CD1 4.24Å; I139-Y173 HydrophobicContact CG2-CE1 4.33Å; R140-Y173 HydrophobicContact CB-CE1 4.36Å; M169-Y173 PolarHBondContact O-N 3.43Å; L170-Y173 PolarHBondContact O-N 2.97Å; Y173-Q175 VanDerWaalsContact C-N 3.34Å; Y173-Q175 PolarHBondContact O-N 3.5Å; Y173-D176 PolarHBondContact O-N 3.32Å; Y173-D176 VanDerWaalsContact O-N 3.15Å; Y173-V177 HydrophobicContact CD1-CG1 4.49Å; Y173-V177 HydrophobicContact CD1-CG2 4.2Å; Y173-V177 HydrophobicContact CD2-CG1 4.31Å; Y173-V177 HydrophobicContact CE1-CG1 3.99Å; Y173-V177 HydrophobicContact CE1-CG2 3.9Å; Y173-V177 HydrophobicContact CE2-CG1 3.81Å; Y173-V177 WeakPolarHBondContact O-CG2 3.43Å; Y173-V177 PolarHBondContact O-N 3.36Å
174	Y	97.4	Very high	85.8	Confident	74 Å²	74	67.9 Å²	67.9	29%	0.29	40%	0.399	S	S	.	.	H	α-helix	trans	-57	-46	175.8	176.4	-92.9	0	0	0	112	I139 W144 P146 L170 R171 D176 V177 C178	I139-Y174 HydrophobicContact CG2-CD2 3.74Å; I139-Y174 HydrophobicContact CG2-CG 4.49Å; W144-Y174 VanDerWaalsContact O-CD2 3.23Å; W144-Y174 WeakPolarHBondContact O-CD2 3.18Å; W144-Y174 VanDerWaalsContact O-CE2 3.26Å; W144-Y174 WeakPolarHBondContact O-CE2 3.34Å; P146-Y174 HydrophobicContact CG-CG 4.36Å; L170-Y174 WeakPolarHBondContact O-CB 3.47Å; L170-Y174 PolarHBondContact O-N 2.9Å; R171-Y174 PolarHBondContact O-N 3.32Å; Y174-D176 VanDerWaalsContact C-N 3.3Å; Y174-D176 PolarHBondContact O-N 3.35Å; Y174-V177 PolarHBondContact O-N 3.47Å; Y174-C178 HydrophobicContact CD2-CB 4.33Å; Y174-C178 HydrophobicContact CE1-CB 4.41Å; Y174-C178 HydrophobicContact CE2-CB 4.05Å; Y174-C178 WeakPolarHBondContact O-CA 3.32Å; Y174-C178 VanDerWaalsContact O-CB 3.25Å; Y174-C178 WeakPolarHBondContact O-CB 3.46Å; Y174-C178 PolarHBondContact O-N 3.35Å
175	Q	95.6	Very high	85.5	Confident	132 Å²	132	66.7 Å²	66.7	62%	0.617	39%	0.386	S	S	*	.	H	α-helix	trans	-60.7	-39.6	176.5	-72.9	172.7	-15.7	0	0	112.2	R171 K172 Y173 G179	R171-Q175 WeakPolarHBondContact O-CG 3.25Å; R171-Q175 PolarHBondContact O-N 3.15Å; K172-Q175 PolarHBondContact O-N 3.37Å; Y173-Q175 VanDerWaalsContact C-N 3.34Å; Y173-Q175 PolarHBondContact O-N 3.5Å; Q175-G179 WeakPolarHBondContact O-CA 3.34Å; Q175-G179 PolarHBondContact O-N 3.25Å
176	D	94.6	Very high	85.1	Confident	87 Å²	87	67.9 Å²	67.9	47%	0.465	39%	0.386	S	S	.	.	H	α-helix	trans	-68.1	-44.9	179.8	-164.3	66.2	0	0	0	112.4	H103 K172 Y173 Y174	H103-D176 IonicContact CE1-OD2 2.67Å; H103-D176 PolarHBondContact CE1-OD2 3.07Å; H103-D176 IonicContact NE2-OD2 3.2Å; H103-D176 PolarHBondContact NE2-OD2 3.05Å; H103-D176 VanDerWaalsContact NE2-OD2 3.09Å; K172-D176 PolarHBondContact O-N 3.35Å; K172-D176 VanDerWaalsContact O-N 3.1Å; Y173-D176 PolarHBondContact O-N 3.32Å; Y173-D176 VanDerWaalsContact O-N 3.15Å; Y174-D176 VanDerWaalsContact C-N 3.3Å; Y174-D176 PolarHBondContact O-N 3.35Å
177	V	93.6	Very high	84.6	Confident	17 Å²	17	72 Å²	72	10%	0.103	41%	0.41	C	S	.	.	H	α-helix	trans	-89.6	-21.7	-173.9	-56.1	0	0	0	0	114.9	I139 Y173 Y174	I139-V177 HydrophobicContact CG2-CG2 4.16Å; Y173-V177 HydrophobicContact CD1-CG1 4.49Å; Y173-V177 HydrophobicContact CD1-CG2 4.2Å; Y173-V177 HydrophobicContact CD2-CG1 4.31Å; Y173-V177 HydrophobicContact CE1-CG1 3.99Å; Y173-V177 HydrophobicContact CE1-CG2 3.9Å; Y173-V177 HydrophobicContact CE2-CG1 3.81Å; Y173-V177 WeakPolarHBondContact O-CG2 3.43Å; Y173-V177 PolarHBondContact O-N 3.36Å; Y174-V177 PolarHBondContact O-N 3.47Å
178	C	86.8	Confident	83.9	Confident	29 Å²	29	74.4 Å²	74.4	20%	0.196	43%	0.425	C	S	.	.	H	α-helix	trans	-112.3	-26.7	179.8	-61.4	0	0	0	0	112.9	Y174 A180	Y174-C178 HydrophobicContact CD2-CB 4.33Å; Y174-C178 HydrophobicContact CE1-CB 4.41Å; Y174-C178 HydrophobicContact CE2-CB 4.05Å; Y174-C178 WeakPolarHBondContact O-CA 3.32Å; Y174-C178 VanDerWaalsContact O-CB 3.25Å; Y174-C178 WeakPolarHBondContact O-CB 3.46Å; Y174-C178 PolarHBondContact O-N 3.35Å; C178-A180 VanDerWaalsContact C-N 3.34Å
179	G	70.4	Confident	83.1	Confident	42 Å²	42	72.2 Å²	72.2	43%	0.433	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-76.8	-16.8	178.3	0	0	0	0	0	114.2	Q175 S181 S182	Q175-G179 WeakPolarHBondContact O-CA 3.34Å; Q175-G179 PolarHBondContact O-N 3.25Å; G179-S181 PolarHBondContact O-N 2.9Å; G179-S182 PolarHBondContact O-OG 2.97Å
180	A	56.4	Low	82.2	Confident	88 Å²	88	75 Å²	75	73%	0.727	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	-76.2	4.9	173.2	0	0	0	0	0	114	C178	C178-A180 VanDerWaalsContact C-N 3.34Å
181	S	48.3	Very low	81	Confident	107 Å²	107	81.3 Å²	81.3	75%	0.748	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-103	16.3	-179.2	-55.5	0	0	0	0	114	G179	G179-S181 PolarHBondContact O-N 2.9Å
182	S	38.7	Very low	79.6	Confident	170 Å²	170	78.7 Å²	78.7	100%	1.189	48%	0.481	S	S	*	.			trans	-115.2	0	176.9	57.7	0	0	0	0	112.6	G179	G179-S182 PolarHBondContact O-OG 2.97Å

Retrieved 182 of 182 residues in 1015.2 ms (Link to these results)

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