A0A060VYE4_ONCMY 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 A0A060VYE4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene ptpmt1, Length 183 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	58.7	Low	223 Å²	223	89.7 Å²	89.7	100%	1.099	50%	0.499	S	S	*	.				0	33.5	0	-69.7	176.6	60.2	0	0	112.1
2	S	55.8	Low	59.8	Low	73 Å²	73	88.8 Å²	88.8	51%	0.51	50%	0.5	S	S	.	.			trans	-114.8	-15.2	-147.8	-37	0	0	0	0	115.4
3	G	55.2	Low	60.3	Low	40 Å²	40	86.4 Å²	86.4	41%	0.412	49%	0.488	S	S	.	.	H	α-helix	trans	-84.9	-37.2	-178.9	0	0	0	0	0	114.7	R7	G3-R7 VanDerWaalsContact O-CG 3.28Å; G3-R7 WeakPolarHBondContact O-CG 3.27Å; G3-R7 PolarHBondContact O-N 3.02Å
4	A	59.5	Low	60.7	Low	66 Å²	66	80.9 Å²	80.9	55%	0.545	46%	0.457	S	S	.	.	H	α-helix	trans	-69.8	-41.5	-176.3	0	0	0	0	0	112.5	R7 V8	A4-R7 WeakPolarHBondContact O-CB 3.35Å; A4-R7 PolarHBondContact O-N 2.93Å; A4-V8 WeakPolarHBondContact O-CG2 3.36Å; A4-V8 PolarHBondContact O-N 3.24Å
5	L	60.1	Low	61.1	Low	115 Å²	115	79.1 Å²	79.1	60%	0.602	46%	0.456	S	S	*	.	H	α-helix	trans	-66.9	-39.3	178.3	-169.3	67.6	0	0	0	112	R7 V8 L9	L5-R7 VanDerWaalsContact C-N 3.29Å; L5-R7 PolarHBondContact O-N 3.47Å; L5-V8 PolarHBondContact O-N 3.02Å; L5-L9 HydrophobicContact CG-CD1 4.21Å; L5-L9 PolarHBondContact O-N 3.39Å
6	A	58.8	Low	61.6	Low	34 Å²	34	82.1 Å²	82.1	28%	0.281	46%	0.458	S	S	.	.	H	α-helix	trans	-60.8	-38.2	174	0	0	0	0	0	112	F10	A6-F10 WeakPolarHBondContact O-CB 3.25Å; A6-F10 PolarHBondContact O-N 2.9Å; A6-F10 VanDerWaalsContact O-N 3.1Å
7	R	61.1	Low	61.9	Low	137 Å²	137	78.7 Å²	78.7	52%	0.517	44%	0.439	S	S	.	.	H	α-helix	trans	-66.1	-42.3	174.8	-71.2	169	-176	169.9	2.9	112.6	G3 A4 L5 F10 Y11 Y66	G3-R7 VanDerWaalsContact O-CG 3.28Å; G3-R7 WeakPolarHBondContact O-CG 3.27Å; G3-R7 PolarHBondContact O-N 3.02Å; A4-R7 WeakPolarHBondContact O-CB 3.35Å; A4-R7 PolarHBondContact O-N 2.93Å; L5-R7 VanDerWaalsContact C-N 3.29Å; L5-R7 PolarHBondContact O-N 3.47Å; R7-F10 WeakPolarHBondContact O-CB 3.43Å; R7-F10 PolarHBondContact O-N 3.46Å; R7-Y11 WeakPolarHBondContact O-CD2 3.23Å; R7-Y66 HydrophobicContact CB-CE2 4.42Å; R7-Y66 HydrophobicContact CG-CD2 3.76Å; R7-Y66 HydrophobicContact CG-CE1 4.45Å; R7-Y66 HydrophobicContact CG-CE2 3.57Å; R7-Y66 HydrophobicContact CG-CG 4.3Å
8	V	61.9	Low	62.2	Low	99 Å²	99	76.5 Å²	76.5	60%	0.6	43%	0.428	S	S	*	.	H	α-helix	trans	-67.1	-42.2	179.8	173.2	0	0	0	0	111.3	A4 L5 F10 P12	A4-V8 WeakPolarHBondContact O-CG2 3.36Å; A4-V8 PolarHBondContact O-N 3.24Å; L5-V8 PolarHBondContact O-N 3.02Å; V8-F10 VanDerWaalsContact C-N 3.3Å; V8-F10 PolarHBondContact O-N 3.13Å; V8-P12 WeakPolarHBondContact O-CD 3.33Å
9	L	63.1	Low	62.5	Low	100 Å²	100	76.8 Å²	76.8	52%	0.524	43%	0.432	S	S	.	.	H	α-helix	trans	-77	-14.8	179.4	-66.2	174.7	0	0	0	113.6	L5 T13	L5-L9 HydrophobicContact CG-CD1 4.21Å; L5-L9 PolarHBondContact O-N 3.39Å; L9-T13 WeakPolarHBondContact O-CB 3.32Å; L9-T13 VanDerWaalsContact O-CG2 3.32Å; L9-T13 WeakPolarHBondContact O-CG2 3.35Å; L9-T13 PolarHBondContact O-N 2.98Å; L9-T13 PolarHBondContact O-OG1 3.09Å
10	F	66	Low	62.5	Low	4 Å²	4	75 Å²	75	2%	0.018	42%	0.42	C	S	.	.	H	α-helix	trans	-62.1	-50.4	179.9	177.2	-92.7	0	0	0	112.3	A6 R7 V8 T13 L14 L41 E67 K124	A6-F10 WeakPolarHBondContact O-CB 3.25Å; A6-F10 PolarHBondContact O-N 2.9Å; A6-F10 VanDerWaalsContact O-N 3.1Å; R7-F10 WeakPolarHBondContact O-CB 3.43Å; R7-F10 PolarHBondContact O-N 3.46Å; V8-F10 VanDerWaalsContact C-N 3.3Å; V8-F10 PolarHBondContact O-N 3.13Å; F10-T13 PolarHBondContact O-N 3.39Å; F10-T13 PolarHBondContact O-OG1 3.45Å; F10-L14 HydrophobicContact CE1-CD2 3.79Å; F10-L14 HydrophobicContact CZ-CD2 4.09Å; F10-L14 WeakPolarHBondContact O-CB 3.19Å; F10-L14 PolarHBondContact O-N 2.87Å; F10-L41 HydrophobicContact CZ-CD1 4Å; F10-E67 HydrophobicContact CD2-CB 4.23Å; F10-E67 HydrophobicContact CD2-CG 3.67Å; F10-E67 WeakPolarHBondContact CD2-OE1 3.47Å; F10-E67 HydrophobicContact CE1-CB 4.24Å; F10-E67 HydrophobicContact CE2-CB 3.45Å; F10-E67 VanDerWaalsContact CE2-CB 3.45Å; F10-E67 HydrophobicContact CE2-CG 3.35Å; F10-E67 WeakPolarHBondContact CE2-OE1 3.5Å; F10-E67 HydrophobicContact CG-CG 4.43Å; F10-E67 HydrophobicContact CZ-CB 3.47Å; F10-E67 VanDerWaalsContact CZ-CB 3.47Å; F10-E67 HydrophobicContact CZ-CG 3.88Å; F10-E67 WeakPolarHBondContact CZ-O 3.41Å; F10-K124 HydrophobicContact CD2-CD 3.37Å; F10-K124 HydrophobicContact CD2-CG 4.31Å; F10-K124 HydrophobicContact CE2-CB 4.16Å; F10-K124 HydrophobicContact CE2-CD 3.18Å; F10-K124 HydrophobicContact CE2-CG 3.62Å; F10-K124 HydrophobicContact CG-CD 4.3Å; F10-K124 HydrophobicContact CZ-CD 4.01Å; F10-K124 HydrophobicContact CZ-CG 4.14Å
11	Y	65.7	Low	62.6	Low	96 Å²	96	74.5 Å²	74.5	38%	0.376	42%	0.415	S	S	.	.	H	α-helix	trans	-68.2	-45.6	-173.8	-61	-83.5	0	0	0	113.7	R7 T13 L14 A15 F71	R7-Y11 WeakPolarHBondContact O-CD2 3.23Å; Y11-T13 VanDerWaalsContact C-N 3.32Å; Y11-T13 PolarHBondContact O-N 2.94Å; Y11-L14 PolarHBondContact O-N 3.36Å; Y11-A15 WeakPolarHBondContact O-CB 3.36Å; Y11-A15 PolarHBondContact O-N 2.84Å; Y11-F71 HydrophobicContact CD1-CE2 4.22Å; Y11-F71 HydrophobicContact CE1-CE2 4Å
12	P	71.6	Confident	63.7	Low	79 Å²	79	71.9 Å²	71.9	51%	0.513	40%	0.397	S	S	.	.	H	α-helix	trans	-61.9	-39.1	175.9	-24.1	34.8	0	0	0	112.6	V8 A15 Y16	V8-P12 WeakPolarHBondContact O-CD 3.33Å; P12-A15 PolarHBondContact O-N 3.44Å; P12-Y16 PolarHBondContact O-N 3.22Å
13	T	66.3	Low	63.8	Low	57 Å²	57	73.9 Å²	73.9	35%	0.35	41%	0.406	S	S	.	.	H	α-helix	trans	-75.2	-28.3	178.8	56	0	0	0	0	112.7	L9 F10 Y11 N17 K124	L9-T13 WeakPolarHBondContact O-CB 3.32Å; L9-T13 VanDerWaalsContact O-CG2 3.32Å; L9-T13 WeakPolarHBondContact O-CG2 3.35Å; L9-T13 PolarHBondContact O-N 2.98Å; L9-T13 PolarHBondContact O-OG1 3.09Å; F10-T13 PolarHBondContact O-N 3.39Å; F10-T13 PolarHBondContact O-OG1 3.45Å; Y11-T13 VanDerWaalsContact C-N 3.32Å; Y11-T13 PolarHBondContact O-N 2.94Å; T13-N17 VanDerWaalsContact O-CG 3.28Å; T13-N17 PolarHBondContact O-N 3.31Å; T13-N17 VanDerWaalsContact O-N 3.13Å; T13-N17 PolarHBondContact O-ND2 2.9Å; T13-K124 PolarHBondContact OG1-NZ 3.48Å
14	L	66.4	Low	64.1	Low	10 Å²	10	73.9 Å²	73.9	5%	0.052	40%	0.4	C	S	.	.	H	α-helix	trans	-68	-46.2	169.5	179.5	60	0	0	0	111	F10 Y11 Y16 N17 V18 L41 F71 K124	F10-L14 HydrophobicContact CE1-CD2 3.79Å; F10-L14 HydrophobicContact CZ-CD2 4.09Å; F10-L14 WeakPolarHBondContact O-CB 3.19Å; F10-L14 PolarHBondContact O-N 2.87Å; Y11-L14 PolarHBondContact O-N 3.36Å; L14-Y16 VanDerWaalsContact C-N 3.29Å; L14-Y16 PolarHBondContact O-N 3.35Å; L14-N17 WeakPolarHBondContact O-CA 3.3Å; L14-N17 WeakPolarHBondContact O-CB 3.33Å; L14-N17 PolarHBondContact O-N 3.26Å; L14-V18 PolarHBondContact O-N 3.44Å; L14-L41 HydrophobicContact CD1-CD1 3.7Å; L14-L41 HydrophobicContact CD2-CD1 3.77Å; L14-L41 HydrophobicContact CG-CD1 4.41Å; L14-F71 HydrophobicContact CD2-CD2 4.34Å; L14-F71 HydrophobicContact CD2-CE2 4.46Å; L14-K124 HydrophobicContact CD1-CG 4.18Å
15	A	67.1	Low	64.3	Low	53 Å²	53	76.8 Å²	76.8	44%	0.438	42%	0.416	S	S	.	.	H	α-helix	trans	-57.9	-43.1	174.9	0	0	0	0	0	111.4	Y11 P12 N17 V18 V19	Y11-A15 WeakPolarHBondContact O-CB 3.36Å; Y11-A15 PolarHBondContact O-N 2.84Å; P12-A15 PolarHBondContact O-N 3.44Å; A15-N17 VanDerWaalsContact C-N 3.32Å; A15-N17 PolarHBondContact O-N 2.55Å; A15-V18 PolarHBondContact O-N 3.29Å; A15-V19 WeakPolarHBondContact O-CG2 3.15Å; A15-V19 PolarHBondContact O-N 2.83Å
16	Y	69.1	Low	65	Low	127 Å²	127	75 Å²	75	50%	0.498	40%	0.401	S	S	.	.	H	α-helix	trans	-57.4	-42.5	171.9	178.5	-96.9	0	0	0	112.4	P12 L14 V18 V19 M20	P12-Y16 PolarHBondContact O-N 3.22Å; L14-Y16 VanDerWaalsContact C-N 3.29Å; L14-Y16 PolarHBondContact O-N 3.35Å; Y16-V18 PolarHBondContact O-N 3.45Å; Y16-V19 PolarHBondContact O-N 3.08Å; Y16-M20 HydrophobicContact CD1-CG 3.94Å; Y16-M20 HydrophobicContact CD2-CG 4.2Å; Y16-M20 HydrophobicContact CE1-CG 3.49Å; Y16-M20 VanDerWaalsContact CE1-CG 3.49Å; Y16-M20 HydrophobicContact CE1-SD 4.42Å; Y16-M20 HydrophobicContact CE2-CG 3.78Å; Y16-M20 HydrophobicContact CE2-SD 3.9Å; Y16-M20 HydrophobicContact CG-CG 4.27Å; Y16-M20 WeakPolarHBondContact O-CB 3.22Å; Y16-M20 WeakPolarHBondContact O-CG 3.38Å; Y16-M20 PolarHBondContact O-N 2.67Å
17	N	66.1	Low	66.2	Low	25 Å²	25	82 Å²	82	13%	0.134	42%	0.42	C	S	.	.	H	α-helix	trans	-63.4	-40.7	176.9	-66.9	-42.4	0	0	0	112.4	T13 L14 A15 M20 E21	T13-N17 VanDerWaalsContact O-CG 3.28Å; T13-N17 PolarHBondContact O-N 3.31Å; T13-N17 VanDerWaalsContact O-N 3.13Å; T13-N17 PolarHBondContact O-ND2 2.9Å; L14-N17 WeakPolarHBondContact O-CA 3.3Å; L14-N17 WeakPolarHBondContact O-CB 3.33Å; L14-N17 PolarHBondContact O-N 3.26Å; A15-N17 VanDerWaalsContact C-N 3.32Å; A15-N17 PolarHBondContact O-N 2.55Å; N17-M20 PolarHBondContact O-N 3.24Å; N17-E21 PolarHBondContact O-N 3.4Å
18	V	66.7	Low	67.4	Low	39 Å²	39	76.3 Å²	76.3	24%	0.236	40%	0.399	C	S	.	.	H	α-helix	trans	-63.9	-45.9	176.2	175.5	0	0	0	0	111.1	L14 A15 Y16 M20 E21 K22 W28 F43	L14-V18 PolarHBondContact O-N 3.44Å; A15-V18 PolarHBondContact O-N 3.29Å; Y16-V18 PolarHBondContact O-N 3.45Å; V18-M20 VanDerWaalsContact C-N 3.33Å; V18-M20 PolarHBondContact O-N 3.27Å; V18-E21 PolarHBondContact O-N 2.84Å; V18-K22 PolarHBondContact O-N 3.01Å; V18-K22 VanDerWaalsContact O-N 3.13Å; V18-W28 HydrophobicContact CG2-CH2 3.77Å; V18-W28 HydrophobicContact CG2-CZ3 3.98Å; V18-F43 HydrophobicContact CG2-CE2 4.4Å; V18-F43 HydrophobicContact CG2-CZ 3.99Å
19	V	68.6	Low	68.9	Low	83 Å²	83	72.8 Å²	72.8	50%	0.503	38%	0.376	S	S	.	.	H	α-helix	trans	-61.7	-44.5	176.3	172	0	0	0	0	110.5	A15 Y16 E21 K22 V23	A15-V19 WeakPolarHBondContact O-CG2 3.15Å; A15-V19 PolarHBondContact O-N 2.83Å; Y16-V19 PolarHBondContact O-N 3.08Å; V19-E21 VanDerWaalsContact C-N 3.33Å; V19-E21 PolarHBondContact O-N 3.47Å; V19-K22 PolarHBondContact O-N 3.2Å; V19-V23 HydrophobicContact CG1-CG2 4.13Å; V19-V23 WeakPolarHBondContact O-CB 3.21Å; V19-V23 VanDerWaalsContact O-CG2 3.27Å; V19-V23 WeakPolarHBondContact O-CG2 3.34Å; V19-V23 PolarHBondContact O-N 3Å
20	M	62.2	Low	70.3	Confident	40 Å²	40	69.1 Å²	69.1	20%	0.197	36%	0.357	C	S	.	.	H	α-helix	trans	-65.9	-34.4	178.7	-72	-55	-57.6	0	0	112.5	Y16 N17 V18 S24	Y16-M20 HydrophobicContact CD1-CG 3.94Å; Y16-M20 HydrophobicContact CD2-CG 4.2Å; Y16-M20 HydrophobicContact CE1-CG 3.49Å; Y16-M20 VanDerWaalsContact CE1-CG 3.49Å; Y16-M20 HydrophobicContact CE1-SD 4.42Å; Y16-M20 HydrophobicContact CE2-CG 3.78Å; Y16-M20 HydrophobicContact CE2-SD 3.9Å; Y16-M20 HydrophobicContact CG-CG 4.27Å; Y16-M20 WeakPolarHBondContact O-CB 3.22Å; Y16-M20 WeakPolarHBondContact O-CG 3.38Å; Y16-M20 PolarHBondContact O-N 2.67Å; N17-M20 PolarHBondContact O-N 3.24Å; V18-M20 VanDerWaalsContact C-N 3.33Å; V18-M20 PolarHBondContact O-N 3.27Å; M20-S24 VanDerWaalsContact O-CB 3.25Å; M20-S24 WeakPolarHBondContact O-CB 3.49Å; M20-S24 PolarHBondContact O-N 3.39Å; M20-S24 PolarHBondContact O-OG 2.94Å
21	E	65.9	Low	71.7	Confident	64 Å²	64	73.2 Å²	73.2	30%	0.299	37%	0.372	S	S	.	.	H	α-helix	trans	-62.1	-46.3	172.1	177.4	-116	-171.5	0	0	111.3	N17 V18 V19 V23 S24 R26 W28	N17-E21 PolarHBondContact O-N 3.4Å; V18-E21 PolarHBondContact O-N 2.84Å; V19-E21 VanDerWaalsContact C-N 3.33Å; V19-E21 PolarHBondContact O-N 3.47Å; E21-V23 PolarHBondContact O-N 3.13Å; E21-S24 VanDerWaalsContact O-O 3.1Å; E21-R26 WeakPolarHBondContact CG-O 3.48Å; E21-W28 HydrophobicContact CB-CE3 3.95Å; E21-W28 HydrophobicContact CB-CZ3 4.18Å; E21-W28 HydrophobicContact CG-CB 4.48Å; E21-W28 HydrophobicContact CG-CE3 3.69Å; E21-W28 HydrophobicContact CG-CZ3 4.38Å
22	K	61.1	Low	73.1	Confident	168 Å²	168	69.5 Å²	69.5	73%	0.73	36%	0.359	S	S	*	.	H	α-helix	trans	-70.2	-30.4	180	-70.1	-169.6	174.4	-172.5	0	115	V18 V19	V18-K22 PolarHBondContact O-N 3.01Å; V18-K22 VanDerWaalsContact O-N 3.13Å; V19-K22 PolarHBondContact O-N 3.2Å
23	V	58.3	Low	74.1	Confident	116 Å²	116	67.4 Å²	67.4	70%	0.703	34%	0.343	S	S	*	.	H	α-helix	trans	-99.6	-12.4	-172.5	179.7	0	0	0	0	112.5	V19 E21	V19-V23 HydrophobicContact CG1-CG2 4.13Å; V19-V23 WeakPolarHBondContact O-CB 3.21Å; V19-V23 VanDerWaalsContact O-CG2 3.27Å; V19-V23 WeakPolarHBondContact O-CG2 3.34Å; V19-V23 PolarHBondContact O-N 3Å; E21-V23 PolarHBondContact O-N 3.13Å
24	S	61.8	Low	75.4	Confident	40 Å²	40	72.8 Å²	72.8	28%	0.28	37%	0.365	S	S	.	.	S	Bend	trans	-121.8	173.4	178.6	76.6	0	0	0	0	112.3	M20 E21 R26	M20-S24 VanDerWaalsContact O-CB 3.25Å; M20-S24 WeakPolarHBondContact O-CB 3.49Å; M20-S24 PolarHBondContact O-N 3.39Å; M20-S24 PolarHBondContact O-OG 2.94Å; E21-S24 VanDerWaalsContact O-O 3.1Å; S24-R26 PolarHBondContact O-N 3.39Å; S24-R26 WeakPolarHBondContact OG-CB 3.41Å; S24-R26 VanDerWaalsContact OG-CD 3.3Å; S24-R26 WeakPolarHBondContact OG-CD 3.39Å; S24-R26 WeakPolarHBondContact OG-CG 3.1Å; S24-R26 PolarHBondContact OG-N 2.9Å
25	S	63.4	Low	76.8	Confident	126 Å²	126	72.6 Å²	72.6	88%	0.881	36%	0.364	S	S	*	.	S	Bend	trans	-71.2	12.2	173.8	55.2	0	0	0	0	114.2	R27	S25-R27 PolarHBondContact O-N 3.44Å
26	R	73.6	Confident	78.3	Confident	79 Å²	79	70.1 Å²	70.1	30%	0.298	34%	0.343	S	S	.	.			trans	-79.6	111.1	-175.9	-71.2	175.1	-173.9	175.8	5.3	110.6	E21 S24	E21-R26 WeakPolarHBondContact CG-O 3.48Å; S24-R26 PolarHBondContact O-N 3.39Å; S24-R26 WeakPolarHBondContact OG-CB 3.41Å; S24-R26 VanDerWaalsContact OG-CD 3.3Å; S24-R26 WeakPolarHBondContact OG-CD 3.39Å; S24-R26 WeakPolarHBondContact OG-CG 3.1Å; S24-R26 PolarHBondContact OG-N 2.9Å
27	R	83.6	Confident	79.6	Confident	179 Å²	179	64.1 Å²	64.1	68%	0.675	32%	0.32	S	S	*	.			trans	-68.6	144.7	172.1	-59.8	-173.7	-178.3	-175.9	0	111.8	S25 F29 R157	S25-R27 PolarHBondContact O-N 3.44Å; R27-F29 VanDerWaalsContact C-N 3.35Å; R27-F29 PolarHBondContact O-N 2.68Å; R27-R157 PolarHBondContact O-NH1 2.63Å
28	W	87.1	Confident	81	Confident	18 Å²	18	62.9 Å²	62.9	7%	0.068	31%	0.313	C	S	.	.	S	Bend	trans	-59.1	-46.1	178	-165.7	-98	0	0	0	112.2	V18 E21 A40 L41 F43 M46 R157	V18-W28 HydrophobicContact CG2-CH2 3.77Å; V18-W28 HydrophobicContact CG2-CZ3 3.98Å; E21-W28 HydrophobicContact CB-CE3 3.95Å; E21-W28 HydrophobicContact CB-CZ3 4.18Å; E21-W28 HydrophobicContact CG-CB 4.48Å; E21-W28 HydrophobicContact CG-CE3 3.69Å; E21-W28 HydrophobicContact CG-CZ3 4.38Å; W28-A40 HydrophobicContact CD2-CB 4.05Å; W28-A40 HydrophobicContact CH2-CB 4.17Å; W28-A40 HydrophobicContact CZ2-CB 3.66Å; W28-A40 PolarHBondContact O-N 3.15Å; W28-A40 VanDerWaalsContact O-N 3.17Å; W28-L41 VanDerWaalsContact CE2-O 3.3Å; W28-L41 VanDerWaalsContact CZ2-O 3.22Å; W28-L41 WeakPolarHBondContact CZ2-O 3.23Å; W28-L41 PolarHBondContact NE1-O 3.34Å; W28-F43 AromaticContact CE2-CE2 3.87Å; W28-F43 HydrophobicContact CH2-CD2 4.25Å; W28-F43 AromaticContact CH2-CE2 3.22Å; W28-F43 HydrophobicContact CH2-CE2 3.22Å; W28-F43 AromaticContact CH2-CZ 3.58Å; W28-F43 HydrophobicContact CH2-CZ 3.58Å; W28-F43 AromaticContact CZ2-CD2 3.75Å; W28-F43 HydrophobicContact CZ2-CD2 3.75Å; W28-F43 AromaticContact CZ2-CE2 3.1Å; W28-F43 HydrophobicContact CZ2-CE2 3.1Å; W28-F43 AromaticContact CZ2-CZ 3.63Å; W28-F43 HydrophobicContact CZ2-CZ 3.63Å; W28-F43 HydrophobicContact CZ3-CE2 4.02Å; W28-M46 HydrophobicContact CB-CE 4.37Å; W28-M46 VanDerWaalsContact CD1-SD 3.52Å; W28-M46 HydrophobicContact CG-CE 3.96Å; W28-M46 HydrophobicContact CG-SD 4.21Å; W28-M46 PolarHBondContact NE1-SD 2.73Å; W28-R157 PolarHBondContact O-NH1 3.4Å; W28-R157 PolarHBondContact O-NH2 2.72Å
29	F	92.8	Very high	82.2	Confident	26 Å²	26	61 Å²	61	11%	0.114	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	160.7	174.1	64.6	-95.6	0	0	0	111.5	R27 I37 L38 M46 L50 E54 Y120	R27-F29 VanDerWaalsContact C-N 3.35Å; R27-F29 PolarHBondContact O-N 2.68Å; F29-I37 HydrophobicContact CB-CG2 4.01Å; F29-I37 HydrophobicContact CD2-CG2 3.45Å; F29-I37 VanDerWaalsContact CD2-CG2 3.45Å; F29-I37 HydrophobicContact CE2-CG2 4.26Å; F29-I37 HydrophobicContact CG-CG2 4.03Å; F29-L38 CarbonylContact C-O 3.19Å; F29-L38 VanDerWaalsContact CA-O 3.3Å; F29-L38 WeakPolarHBondContact CA-O 3.48Å; F29-M46 HydrophobicContact CD1-CE 3.66Å; F29-M46 HydrophobicContact CE1-CE 3.58Å; F29-L50 HydrophobicContact CD1-CD2 4.5Å; F29-L50 HydrophobicContact CE1-CD2 4.24Å; F29-L50 HydrophobicContact CZ-CD2 4.37Å; F29-E54 HydrophobicContact CE2-CG 4.26Å; F29-E54 WeakPolarHBondContact CE2-OE1 3.4Å; F29-E54 HydrophobicContact CZ-CG 4.34Å; F29-Y120 HydrophobicContact CB-CE2 3.63Å; F29-Y120 HydrophobicContact CD1-CE2 4.15Å; F29-Y120 AromaticContact CG-CE2 3.87Å; F29-Y120 HydrophobicContact CG-CE2 3.87Å
30	N	94	Very high	83.2	Confident	23 Å²	23	57.3 Å²	57.3	12%	0.123	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	136	174.4	-65.7	89.9	0	0	0	108.8	V32 L38 V156 R157	N30-V32 PolarHBondContact O-N 3.24Å; N30-L38 PolarHBondContact N-O 3.31Å; N30-L38 PolarHBondContact O-N 3.04Å; N30-V156 HydrophobicContact CB-CG1 3.75Å; N30-V156 PolarHBondContact ND2-O 3.14Å; N30-R157 HydrophobicContact CB-CB 4.43Å; N30-R157 WeakPolarHBondContact OD1-CG 3.37Å; N30-R157 PolarHBondContact OD1-NH1 3.46Å
31	R	94.9	Very high	84.5	Confident	90 Å²	90	55.4 Å²	55.4	34%	0.34	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.1	169.3	-177.2	166.1	-83.1	109.3	-7.9	109.4	D33 I37 E54 V156	R31-D33 WeakPolarHBondContact CD-O 3.23Å; R31-D33 WeakPolarHBondContact CG-O 3.2Å; R31-I37 HydrophobicContact CB-CG1 4.43Å; R31-I37 HydrophobicContact CG-CG1 4.38Å; R31-E54 IonicContact CZ-OE2 3.22Å; R31-E54 VanDerWaalsContact NH1-CD 3.27Å; R31-E54 IonicContact NH1-OE1 3.09Å; R31-E54 PolarHBondContact NH1-OE1 3.2Å; R31-E54 IonicContact NH1-OE2 3.9Å; R31-E54 PolarHBondContact NH1-OE2 2.88Å; R31-E54 PolarHBondContact NH2-O 3.06Å; R31-E54 VanDerWaalsContact NH2-O 3.15Å; R31-E54 IonicContact NH2-OE2 3.23Å; R31-E54 PolarHBondContact NH2-OE2 3.26Å; R31-V156 VanDerWaalsContact O-CG1 3.32Å; R31-V156 WeakPolarHBondContact O-CG1 3.49Å
32	V	94.2	Very high	85.6	Confident	17 Å²	17	52.3 Å²	52.3	10%	0.103	26%	0.256	C	S	.	.			trans	-87.5	-45.7	-179.9	177.1	0	0	0	0	110	N30 V36 L38 I138 M152 L153	N30-V32 PolarHBondContact O-N 3.24Å; V32-V36 HydrophobicContact CB-CB 4.39Å; V32-V36 HydrophobicContact CB-CG1 4.21Å; V32-V36 WeakPolarHBondContact CB-O 3.43Å; V32-V36 HydrophobicContact CG2-CG1 4.24Å; V32-V36 PolarHBondContact N-O 2.78Å; V32-L38 HydrophobicContact CG2-CB 3.74Å; V32-I138 HydrophobicContact CG1-CD1 3.88Å; V32-I138 HydrophobicContact CG1-CG1 4.26Å; V32-M152 HydrophobicContact CG1-CE 3.87Å; V32-M152 HydrophobicContact CG1-SD 4.2Å; V32-L153 HydrophobicContact CB-CD2 4.44Å; V32-L153 HydrophobicContact CG1-CD2 3.75Å; V32-L153 HydrophobicContact CG2-CD2 3.74Å
33	D	94	Very high	86.8	Confident	35 Å²	35	46.5 Å²	46.5	19%	0.187	23%	0.231	C	C	.	.	S	Bend	trans	-150.3	-164.8	173.2	79.1	-15	0	0	0	110.7	R31 T35 V36 R113 Y137	R31-D33 WeakPolarHBondContact CD-O 3.23Å; R31-D33 WeakPolarHBondContact CG-O 3.2Å; D33-T35 PolarHBondContact O-N 2.92Å; D33-T35 VanDerWaalsContact O-N 3.1Å; D33-T35 PolarHBondContact OD1-N 3.4Å; D33-V36 PolarHBondContact N-O 2.88Å; D33-V36 PolarHBondContact OD1-N 3.44Å; D33-R113 IonicContact OD2-CZ 3.57Å; D33-R113 IonicContact OD2-NH1 2.68Å; D33-R113 PolarHBondContact OD2-NH1 2.77Å; D33-Y137 WeakPolarHBondContact OD2-CE1 3.34Å; D33-Y137 PolarHBondContact OD2-OH 2.91Å
34	Q	93.3	Very high	88.2	Confident	171 Å²	171	45.3 Å²	45.3	80%	0.799	22%	0.216	S	C	*	.	S	Bend	trans	-60.9	-19	-179.8	-67.9	-179	-18.2	0	0	114.2
35	T	96.2	Very high	89.5	Confident	6 Å²	6	48.5 Å²	48.5	4%	0.037	24%	0.238	C	C	.	.	S	Bend	trans	-113.6	-50	-176.3	-57.5	0	0	0	0	111.8	D33 R113 S118 V119 Y137	D33-T35 PolarHBondContact O-N 2.92Å; D33-T35 VanDerWaalsContact O-N 3.1Å; D33-T35 PolarHBondContact OD1-N 3.4Å; T35-R113 HydrophobicContact CG2-CB 3.85Å; T35-R113 WeakPolarHBondContact OG1-CB 3.38Å; T35-R113 WeakPolarHBondContact OG1-CG 3.31Å; T35-S118 CarbonylContact O-C 3.56Å; T35-S118 WeakPolarHBondContact O-CA 3.28Å; T35-S118 WeakPolarHBondContact O-CB 3.49Å; T35-V119 HydrophobicContact CG2-CG2 4.38Å; T35-V119 PolarHBondContact O-N 3.49Å; T35-Y137 WeakPolarHBondContact CB-OH 3.37Å
36	V	97.4	Very high	90.8	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	129.2	-168.3	171.5	0	0	0	0	111.4	V32 D33 A109 V121 A134 Y137	V32-V36 HydrophobicContact CB-CB 4.39Å; V32-V36 HydrophobicContact CB-CG1 4.21Å; V32-V36 WeakPolarHBondContact CB-O 3.43Å; V32-V36 HydrophobicContact CG2-CG1 4.24Å; V32-V36 PolarHBondContact N-O 2.78Å; D33-V36 PolarHBondContact N-O 2.88Å; D33-V36 PolarHBondContact OD1-N 3.44Å; V36-A109 HydrophobicContact CG2-CB 4.26Å; V36-V121 HydrophobicContact CG1-CG2 4Å; V36-A134 HydrophobicContact CG1-CB 4.4Å; V36-Y137 HydrophobicContact CB-CD1 4.21Å; V36-Y137 HydrophobicContact CB-CE1 4.07Å; V36-Y137 HydrophobicContact CG2-CD1 3.57Å; V36-Y137 HydrophobicContact CG2-CD2 4.01Å; V36-Y137 HydrophobicContact CG2-CE1 3.45Å; V36-Y137 VanDerWaalsContact CG2-CE1 3.45Å; V36-Y137 HydrophobicContact CG2-CE2 3.88Å; V36-Y137 HydrophobicContact CG2-CG 3.84Å
37	I	97.3	Very high	91.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.1	170.6	-54.5	174.2	0	0	0	108	F29 R31 E54 V56 V119 Y120 V121	F29-I37 HydrophobicContact CB-CG2 4.01Å; F29-I37 HydrophobicContact CD2-CG2 3.45Å; F29-I37 VanDerWaalsContact CD2-CG2 3.45Å; F29-I37 HydrophobicContact CE2-CG2 4.26Å; F29-I37 HydrophobicContact CG-CG2 4.03Å; R31-I37 HydrophobicContact CB-CG1 4.43Å; R31-I37 HydrophobicContact CG-CG1 4.38Å; I37-E54 HydrophobicContact CD1-CB 3.7Å; I37-E54 HydrophobicContact CD1-CG 4.28Å; I37-V56 HydrophobicContact CD1-CG2 3.8Å; I37-V119 PolarHBondContact N-O 3.41Å; I37-Y120 HydrophobicContact CB-CD2 4.02Å; I37-Y120 HydrophobicContact CG2-CD2 3.7Å; I37-Y120 HydrophobicContact CG2-CE2 3.91Å; I37-V121 PolarHBondContact O-N 2.99Å
38	L	95.3	Very high	92.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.6	-179.7	176.6	61.8	0	0	0	110.5	F29 N30 V32 S130 A131 A134 L153 V160	F29-L38 CarbonylContact C-O 3.19Å; F29-L38 VanDerWaalsContact CA-O 3.3Å; F29-L38 WeakPolarHBondContact CA-O 3.48Å; N30-L38 PolarHBondContact N-O 3.31Å; N30-L38 PolarHBondContact O-N 3.04Å; V32-L38 HydrophobicContact CG2-CB 3.74Å; L38-S130 WeakPolarHBondContact CD1-OG 3.3Å; L38-A131 HydrophobicContact CD2-CB 4.04Å; L38-A134 HydrophobicContact CD1-CB 4.44Å; L38-A134 HydrophobicContact CD2-CB 4.31Å; L38-L153 HydrophobicContact CD2-CD2 4.19Å; L38-V160 HydrophobicContact CD2-CG2 3.98Å
39	G	91.8	Very high	92.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	178.2	-175.8	0	0	0	0	0	116.5	Y120 V121 H122 G126	G39-Y120 WeakPolarHBondContact CA-OH 3.27Å; G39-V121 PolarHBondContact N-O 2.94Å; G39-V121 VanDerWaalsContact N-O 3.1Å; G39-H122 WeakPolarHBondContact O-CA 3.47Å; G39-H122 WeakPolarHBondContact O-CB 3.45Å; G39-G126 WeakPolarHBondContact O-CA 3.45Å; G39-G126 PolarHBondContact O-N 3.22Å
40	A	89.7	Confident	92.6	Very high	4 Å²	4	38.9 Å²	38.9	3%	0.033	20%	0.196	C	C	.	.	S	Bend	trans	-79.3	-173.9	169.6	0	0	0	0	0	111.1	W28 Y120 H122	W28-A40 HydrophobicContact CD2-CB 4.05Å; W28-A40 HydrophobicContact CH2-CB 4.17Å; W28-A40 HydrophobicContact CZ2-CB 3.66Å; W28-A40 PolarHBondContact O-N 3.15Å; W28-A40 VanDerWaalsContact O-N 3.17Å; A40-Y120 WeakPolarHBondContact O-CE1 3.43Å; A40-Y120 PolarHBondContact O-OH 3.3Å; A40-H122 WeakPolarHBondContact O-CB 3.45Å
41	L	88.8	Confident	92.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.			trans	-52.5	127.3	-178.3	-70.2	171.4	0	0	0	111.6	F10 L14 W28 F43 N63 T68 C123 K124	F10-L41 HydrophobicContact CZ-CD1 4Å; L14-L41 HydrophobicContact CD1-CD1 3.7Å; L14-L41 HydrophobicContact CD2-CD1 3.77Å; L14-L41 HydrophobicContact CG-CD1 4.41Å; W28-L41 VanDerWaalsContact CE2-O 3.3Å; W28-L41 VanDerWaalsContact CZ2-O 3.22Å; W28-L41 WeakPolarHBondContact CZ2-O 3.23Å; W28-L41 PolarHBondContact NE1-O 3.34Å; L41-F43 PolarHBondContact O-N 3.23Å; L41-N63 WeakPolarHBondContact CD2-OD1 3.4Å; L41-T68 HydrophobicContact CD2-CG2 4.21Å; L41-C123 WeakPolarHBondContact CD2-O 3.48Å; L41-K124 PolarHBondContact N-O 3.49Å
42	P	88.6	Confident	92.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.201	C	C	.	.			trans	-77.2	104.6	176.8	30.1	-31.1	0	0	0	109	L50 C72 W78 Y120 H122	P42-L50 HydrophobicContact CB-CD1 3.83Å; P42-C72 WeakPolarHBondContact O-CA 3.46Å; P42-W78 HydrophobicContact CB-CH2 4.39Å; P42-W78 HydrophobicContact CB-CZ2 3.97Å; P42-W78 HydrophobicContact CG-CZ2 3.89Å; P42-Y120 HydrophobicContact CB-CD1 4.25Å; P42-Y120 HydrophobicContact CB-CE1 3.83Å; P42-Y120 HydrophobicContact CG-CD1 4.29Å; P42-Y120 HydrophobicContact CG-CE1 4.02Å; P42-H122 VanDerWaalsContact CD-CE1 3.46Å; P42-H122 WeakPolarHBondContact CD-CE1 3.43Å; P42-H122 WeakPolarHBondContact CD-ND1 3.48Å
43	F	87.3	Confident	92.6	Very high	45 Å²	45	43.3 Å²	43.3	20%	0.197	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-67	150.4	174.3	-64	-61.6	0	0	0	110.6	V18 W28 L41 S45 M46 F71	V18-F43 HydrophobicContact CG2-CE2 4.4Å; V18-F43 HydrophobicContact CG2-CZ 3.99Å; W28-F43 AromaticContact CE2-CE2 3.87Å; W28-F43 HydrophobicContact CH2-CD2 4.25Å; W28-F43 AromaticContact CH2-CE2 3.22Å; W28-F43 HydrophobicContact CH2-CE2 3.22Å; W28-F43 AromaticContact CH2-CZ 3.58Å; W28-F43 HydrophobicContact CH2-CZ 3.58Å; W28-F43 AromaticContact CZ2-CD2 3.75Å; W28-F43 HydrophobicContact CZ2-CD2 3.75Å; W28-F43 AromaticContact CZ2-CE2 3.1Å; W28-F43 HydrophobicContact CZ2-CE2 3.1Å; W28-F43 AromaticContact CZ2-CZ 3.63Å; W28-F43 HydrophobicContact CZ2-CZ 3.63Å; W28-F43 HydrophobicContact CZ3-CE2 4.02Å; L41-F43 PolarHBondContact O-N 3.23Å; F43-S45 PolarHBondContact O-N 3.31Å; F43-S45 VanDerWaalsContact O-N 3.08Å; F43-M46 HydrophobicContact CB-CG 4.18Å; F43-M46 HydrophobicContact CB-SD 4.35Å; F43-M46 HydrophobicContact CD2-SD 4.11Å; F43-M46 WeakPolarHBondContact O-CB 3.48Å; F43-M46 PolarHBondContact O-N 2.96Å; F43-F71 WeakPolarHBondContact CA-O 3.3Å; F43-F71 HydrophobicContact CD1-CB 3.93Å; F43-F71 HydrophobicContact CE1-CB 3.99Å; F43-F71 HydrophobicContact CE1-CD1 4.38Å; F43-F71 HydrophobicContact CE1-CG 4.33Å
44	K	87.5	Confident	92.7	Very high	92 Å²	92	43.2 Å²	43.2	40%	0.4	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-53.6	-33.5	177.7	-54.4	-157.7	176.9	-168.3	0	113.2	M46 T47 F71 C72 N73 E77	K44-M46 PolarHBondContact O-N 3.17Å; K44-T47 WeakPolarHBondContact O-CB 3.26Å; K44-T47 PolarHBondContact O-N 3.37Å; K44-T47 PolarHBondContact O-OG1 2.91Å; K44-F71 PolarHBondContact N-O 3.24Å; K44-C72 VanDerWaalsContact CE-O 3.27Å; K44-C72 WeakPolarHBondContact CE-O 3.46Å; K44-N73 VanDerWaalsContact CG-OD1 3.3Å; K44-N73 WeakPolarHBondContact CG-OD1 3.37Å; K44-E77 WeakPolarHBondContact CE-OE2 3.1Å; K44-E77 IonicContact NZ-OE1 3.93Å; K44-E77 PolarHBondContact NZ-OE1 2.77Å; K44-E77 IonicContact NZ-OE2 2.84Å; K44-E77 PolarHBondContact NZ-OE2 2.94Å
45	S	88.4	Confident	92.8	Very high	106 Å²	106	38.2 Å²	38.2	74%	0.741	20%	0.203	S	C	*	.	G	3₁₀ helix	trans	-64.2	-21.8	175.8	57.9	0	0	0	0	114.1	F43	F43-S45 PolarHBondContact O-N 3.31Å; F43-S45 VanDerWaalsContact O-N 3.08Å
46	M	91.4	Very high	92.9	Very high	19 Å²	19	37.9 Å²	37.9	9%	0.094	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-89.3	-7.6	-179.1	-55.8	-178.1	67.6	0	0	112.8	W28 F29 F43 K44 N48 E49 L50	W28-M46 HydrophobicContact CB-CE 4.37Å; W28-M46 VanDerWaalsContact CD1-SD 3.52Å; W28-M46 HydrophobicContact CG-CE 3.96Å; W28-M46 HydrophobicContact CG-SD 4.21Å; W28-M46 PolarHBondContact NE1-SD 2.73Å; F29-M46 HydrophobicContact CD1-CE 3.66Å; F29-M46 HydrophobicContact CE1-CE 3.58Å; F43-M46 HydrophobicContact CB-CG 4.18Å; F43-M46 HydrophobicContact CB-SD 4.35Å; F43-M46 HydrophobicContact CD2-SD 4.11Å; F43-M46 WeakPolarHBondContact O-CB 3.48Å; F43-M46 PolarHBondContact O-N 2.96Å; K44-M46 PolarHBondContact O-N 3.17Å; M46-N48 VanDerWaalsContact C-N 3.31Å; M46-N48 PolarHBondContact O-N 3.32Å; M46-E49 PolarHBondContact O-N 2.84Å; M46-L50 HydrophobicContact CB-CD1 4.28Å; M46-L50 HydrophobicContact CB-CG 4.47Å; M46-L50 WeakPolarHBondContact O-CG 3.27Å; M46-L50 PolarHBondContact O-N 3.36Å
47	T	92.4	Very high	92.9	Very high	12 Å²	12	41.7 Å²	41.7	7%	0.074	22%	0.216	C	C	.	.	H	α-helix	trans	-56.3	-45.5	-174.9	-49.7	0	0	0	0	111.9	K44 L50 V51 N73 W78 E81	K44-T47 WeakPolarHBondContact O-CB 3.26Å; K44-T47 PolarHBondContact O-N 3.37Å; K44-T47 PolarHBondContact O-OG1 2.91Å; T47-L50 PolarHBondContact O-N 3.49Å; T47-V51 HydrophobicContact CG2-CG2 4.3Å; T47-V51 WeakPolarHBondContact O-CB 3.43Å; T47-V51 VanDerWaalsContact O-CG2 3.27Å; T47-V51 WeakPolarHBondContact O-CG2 3.42Å; T47-V51 PolarHBondContact O-N 2.99Å; T47-N73 WeakPolarHBondContact CG2-ND2 3.32Å; T47-N73 PolarHBondContact OG1-ND2 3.1Å; T47-W78 HydrophobicContact CG2-CE3 4.38Å; T47-W78 HydrophobicContact CG2-CH2 4.41Å; T47-W78 HydrophobicContact CG2-CZ3 3.83Å; T47-E81 HydrophobicContact CG2-CB 4.32Å; T47-E81 HydrophobicContact CG2-CG 3.8Å
48	N	92.5	Very high	92.9	Very high	109 Å²	109	41.7 Å²	41.7	58%	0.583	22%	0.216	S	C	*	.	H	α-helix	trans	-64.6	-43.9	-179.4	-172.1	-90.3	0	0	0	111.9	M46 V51 Q52	M46-N48 VanDerWaalsContact C-N 3.31Å; M46-N48 PolarHBondContact O-N 3.32Å; N48-V51 PolarHBondContact O-N 3.48Å; N48-Q52 VanDerWaalsContact O-CB 3.23Å; N48-Q52 WeakPolarHBondContact O-CB 3.46Å; N48-Q52 WeakPolarHBondContact O-CG 3.34Å; N48-Q52 PolarHBondContact O-N 3.42Å
49	E	94.3	Very high	92.9	Very high	86 Å²	86	41.7 Å²	41.7	40%	0.402	22%	0.216	S	C	.	.	I	π-helix	trans	-59.8	-49.7	175.8	-176.6	-176.2	-177.3	0	0	110.9	M46 V51 T53 E54	M46-E49 PolarHBondContact O-N 2.84Å; E49-V51 PolarHBondContact O-N 3.17Å; E49-T53 WeakPolarHBondContact O-CA 3.32Å; E49-T53 WeakPolarHBondContact O-CB 2.86Å; E49-T53 PolarHBondContact O-N 3.08Å; E49-E54 PolarHBondContact O-N 2.8Å; E49-E54 VanDerWaalsContact O-N 3.09Å
50	L	94.4	Very high	93.1	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	I	π-helix	trans	-62.1	-44.8	-179.2	-68.2	174.6	0	0	0	112.2	F29 P42 M46 T47 E54 N55 V56 W78 Y120	F29-L50 HydrophobicContact CD1-CD2 4.5Å; F29-L50 HydrophobicContact CE1-CD2 4.24Å; F29-L50 HydrophobicContact CZ-CD2 4.37Å; P42-L50 HydrophobicContact CB-CD1 3.83Å; M46-L50 HydrophobicContact CB-CD1 4.28Å; M46-L50 HydrophobicContact CB-CG 4.47Å; M46-L50 WeakPolarHBondContact O-CG 3.27Å; M46-L50 PolarHBondContact O-N 3.36Å; T47-L50 PolarHBondContact O-N 3.49Å; L50-E54 CarbonylContact O-C 3.58Å; L50-E54 WeakPolarHBondContact O-CA 3.36Å; L50-E54 WeakPolarHBondContact O-CB 3.48Å; L50-E54 PolarHBondContact O-N 2.93Å; L50-N55 PolarHBondContact O-N 2.99Å; L50-V56 HydrophobicContact CB-CB 4.24Å; L50-V56 HydrophobicContact CB-CG2 4.13Å; L50-V56 HydrophobicContact CD2-CG2 4.38Å; L50-V56 WeakPolarHBondContact O-CB 3.05Å; L50-V56 VanDerWaalsContact O-CG2 3.23Å; L50-V56 WeakPolarHBondContact O-CG2 3.4Å; L50-V56 PolarHBondContact O-N 3.45Å; L50-W78 HydrophobicContact CD1-CH2 4.07Å; L50-Y120 HydrophobicContact CD1-CD2 4.31Å; L50-Y120 HydrophobicContact CD1-CE2 4.4Å; L50-Y120 HydrophobicContact CD1-CG 4.43Å; L50-Y120 HydrophobicContact CD2-CD2 3.52Å; L50-Y120 HydrophobicContact CD2-CE2 3.65Å; L50-Y120 HydrophobicContact CD2-CG 4.32Å
51	V	95.4	Very high	93.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	21%	0.214	C	C	.	.	I	π-helix	trans	-78.6	-46.2	-174.8	176.6	0	0	0	0	111.9	T47 N48 E49 N55 R57 W78 E81 V83	T47-V51 HydrophobicContact CG2-CG2 4.3Å; T47-V51 WeakPolarHBondContact O-CB 3.43Å; T47-V51 VanDerWaalsContact O-CG2 3.27Å; T47-V51 WeakPolarHBondContact O-CG2 3.42Å; T47-V51 PolarHBondContact O-N 2.99Å; N48-V51 PolarHBondContact O-N 3.48Å; E49-V51 PolarHBondContact O-N 3.17Å; V51-N55 WeakPolarHBondContact O-CA 3.45Å; V51-N55 PolarHBondContact O-N 2.7Å; V51-R57 VanDerWaalsContact CG1-NH1 3.29Å; V51-W78 HydrophobicContact CG2-CZ3 4.31Å; V51-E81 HydrophobicContact CG2-CB 4.43Å; V51-V83 HydrophobicContact CG2-CG2 3.53Å
52	Q	94.1	Very high	93.1	Very high	119 Å²	119	41.6 Å²	41.6	56%	0.556	21%	0.214	S	C	*	.	I	π-helix	trans	-88.4	-40.9	-171	-56.9	-60.7	-30	0	0	112.7	N48	N48-Q52 VanDerWaalsContact O-CB 3.23Å; N48-Q52 WeakPolarHBondContact O-CB 3.46Å; N48-Q52 WeakPolarHBondContact O-CG 3.34Å; N48-Q52 PolarHBondContact O-N 3.42Å
53	T	94.1	Very high	92.6	Very high	103 Å²	103	41.6 Å²	41.6	63%	0.632	21%	0.214	S	C	*	.	I	π-helix	trans	-87	-45	-178.7	-52.4	0	0	0	0	110.4	E49	E49-T53 WeakPolarHBondContact O-CA 3.32Å; E49-T53 WeakPolarHBondContact O-CB 2.86Å; E49-T53 PolarHBondContact O-N 3.08Å
54	E	95.6	Very high	91.8	Very high	32 Å²	32	42 Å²	42	15%	0.15	22%	0.217	C	C	.	.	S	Bend	trans	-95.2	1.7	-172.5	-55.1	-66.7	-144.6	0	0	114.6	F29 R31 I37 E49 L50 V56 S118	F29-E54 HydrophobicContact CE2-CG 4.26Å; F29-E54 WeakPolarHBondContact CE2-OE1 3.4Å; F29-E54 HydrophobicContact CZ-CG 4.34Å; R31-E54 IonicContact CZ-OE2 3.22Å; R31-E54 VanDerWaalsContact NH1-CD 3.27Å; R31-E54 IonicContact NH1-OE1 3.09Å; R31-E54 PolarHBondContact NH1-OE1 3.2Å; R31-E54 IonicContact NH1-OE2 3.9Å; R31-E54 PolarHBondContact NH1-OE2 2.88Å; R31-E54 PolarHBondContact NH2-O 3.06Å; R31-E54 VanDerWaalsContact NH2-O 3.15Å; R31-E54 IonicContact NH2-OE2 3.23Å; R31-E54 PolarHBondContact NH2-OE2 3.26Å; I37-E54 HydrophobicContact CD1-CB 3.7Å; I37-E54 HydrophobicContact CD1-CG 4.28Å; E49-E54 PolarHBondContact O-N 2.8Å; E49-E54 VanDerWaalsContact O-N 3.09Å; L50-E54 CarbonylContact O-C 3.58Å; L50-E54 WeakPolarHBondContact O-CA 3.36Å; L50-E54 WeakPolarHBondContact O-CB 3.48Å; L50-E54 PolarHBondContact O-N 2.93Å; E54-V56 HydrophobicContact CB-CG2 4.04Å; E54-V56 PolarHBondContact O-N 2.81Å; E54-S118 VanDerWaalsContact O-CB 3.23Å; E54-S118 WeakPolarHBondContact O-CB 3.19Å; E54-S118 PolarHBondContact O-OG 2.68Å; E54-S118 VanDerWaalsContact O-OG 3.06Å
55	N	96.8	Very high	90.6	Very high	66 Å²	66	43.7 Å²	43.7	35%	0.353	23%	0.227	S	C	.	.			trans	49.1	39.2	-178.5	-169.7	31.3	0	0	0	112.9	L50 V51 R57 G116 S118	L50-N55 PolarHBondContact O-N 2.99Å; V51-N55 WeakPolarHBondContact O-CA 3.45Å; V51-N55 PolarHBondContact O-N 2.7Å; N55-R57 PolarHBondContact O-N 2.69Å; N55-G116 PolarHBondContact ND2-O 3.37Å; N55-S118 WeakPolarHBondContact O-CB 3.4Å; N55-S118 PolarHBondContact O-N 2.87Å
56	V	97.1	Very high	89.4	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	119.8	177.3	175.7	0	0	0	0	109	I37 L50 E54 G58 V83 S118	I37-V56 HydrophobicContact CD1-CG2 3.8Å; L50-V56 HydrophobicContact CB-CB 4.24Å; L50-V56 HydrophobicContact CB-CG2 4.13Å; L50-V56 HydrophobicContact CD2-CG2 4.38Å; L50-V56 WeakPolarHBondContact O-CB 3.05Å; L50-V56 VanDerWaalsContact O-CG2 3.23Å; L50-V56 WeakPolarHBondContact O-CG2 3.4Å; L50-V56 PolarHBondContact O-N 3.45Å; E54-V56 HydrophobicContact CB-CG2 4.04Å; E54-V56 PolarHBondContact O-N 2.81Å; V56-G58 VanDerWaalsContact CG1-O 3.22Å; V56-G58 WeakPolarHBondContact CG1-O 3.43Å; V56-V83 HydrophobicContact CG1-CG1 4.35Å; V56-V83 WeakPolarHBondContact O-CG2 3.2Å; V56-S118 WeakPolarHBondContact CA-O 3.45Å
57	R	97.5	Very high	87.9	Confident	81 Å²	81	41.5 Å²	41.5	31%	0.306	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-8.1	173.8	-57.7	-63.3	172.5	-167.7	-4.4	113	V51 N55 E81 G82 V83 E84 H112 S118	V51-R57 VanDerWaalsContact CG1-NH1 3.29Å; N55-R57 PolarHBondContact O-N 2.69Å; R57-E81 PolarHBondContact NH1-O 3.39Å; R57-G82 WeakPolarHBondContact CD-O 3.28Å; R57-V83 WeakPolarHBondContact O-CA 3.39Å; R57-E84 PolarHBondContact O-N 3.37Å; R57-H112 PolarHBondContact O-CE1 3.24Å; R57-S118 PolarHBondContact N-O 3.17Å
58	G	97	Very high	86.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	143.8	171.2	0	0	0	0	0	111.3	V56 E84 H112 S118 V119 Y120	V56-G58 VanDerWaalsContact CG1-O 3.22Å; V56-G58 WeakPolarHBondContact CG1-O 3.43Å; G58-E84 CarbonylContact C-O 3.47Å; G58-E84 WeakPolarHBondContact CA-O 3.05Å; G58-H112 WeakPolarHBondContact CA-NE2 3.39Å; G58-S118 PolarHBondContact N-O 2.92Å; G58-V119 CarbonylContact O-C 3.49Å; G58-V119 VanDerWaalsContact O-CA 3.25Å; G58-V119 WeakPolarHBondContact O-CA 3.34Å; G58-Y120 PolarHBondContact O-N 3.38Å
59	V	96.8	Very high	85	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	126.7	171.4	61.8	0	0	0	0	110.1	W78 V83 E84 Q85 L86 Y120	V59-W78 HydrophobicContact CG1-CD2 4.06Å; V59-W78 HydrophobicContact CG1-CG 4Å; V59-W78 HydrophobicContact CG2-CZ2 4.43Å; V59-V83 HydrophobicContact CB-CG1 4.2Å; V59-V83 HydrophobicContact CG1-CG1 3.97Å; V59-E84 PolarHBondContact N-O 3.4Å; V59-Q85 HydrophobicContact CG1-CB 3.64Å; V59-Q85 HydrophobicContact CG1-CG 3.88Å; V59-Q85 WeakPolarHBondContact O-CA 3.22Å; V59-L86 PolarHBondContact O-N 3.23Å; V59-Y120 CarbonylContact C-O 3.52Å; V59-Y120 WeakPolarHBondContact CA-O 3.33Å; V59-Y120 HydrophobicContact CG2-CD1 4.28Å
60	I	95.5	Very high	83.7	Confident	1 Å²	1	46.5 Å²	46.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	112.6	174.3	-52.1	-179	0	0	0	108.9	M62 L86 L88 G105 F108 V119 Y120 V121 H122 L133	I60-M62 HydrophobicContact CG2-CG 4.22Å; I60-L86 CarbonylContact C-O 3.59Å; I60-L86 WeakPolarHBondContact CA-O 3.49Å; I60-L88 HydrophobicContact CG2-CD1 3.81Å; I60-L88 HydrophobicContact CG2-CG 4.27Å; I60-G105 VanDerWaalsContact CD1-O 3.25Å; I60-G105 WeakPolarHBondContact CD1-O 3.44Å; I60-F108 HydrophobicContact CD1-CD1 3.85Å; I60-F108 HydrophobicContact CG1-CD1 3.62Å; I60-F108 HydrophobicContact CG1-CE1 3.96Å; I60-V119 HydrophobicContact CD1-CG1 3.99Å; I60-V119 HydrophobicContact CG1-CG1 3.75Å; I60-Y120 PolarHBondContact N-O 3.41Å; I60-V121 HydrophobicContact CB-CG1 4.31Å; I60-V121 HydrophobicContact CB-CG2 4.39Å; I60-V121 HydrophobicContact CD1-CG2 4.06Å; I60-V121 HydrophobicContact CG1-CG2 4.38Å; I60-H122 PolarHBondContact O-CD2 2.85Å; I60-H122 PolarHBondContact O-N 3.31Å; I60-L133 HydrophobicContact CB-CD2 4.33Å; I60-L133 HydrophobicContact CD1-CD2 3.68Å; I60-L133 HydrophobicContact CG2-CD2 3.65Å
61	T	92.3	Very high	82.7	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	106.5	179.9	-61.4	0	0	0	0	109.8	N63 T68 Q85 L86 R87 L88 H122	T61-N63 VanDerWaalsContact C-N 3.26Å; T61-N63 HydrophobicContact CG2-CB 3.92Å; T61-N63 PolarHBondContact O-N 3.45Å; T61-T68 HydrophobicContact CG2-CG2 3.97Å; T61-Q85 PolarHBondContact OG1-NE2 3.42Å; T61-L86 PolarHBondContact N-O 2.98Å; T61-R87 HydrophobicContact CG2-CG 4.44Å; T61-R87 WeakPolarHBondContact O-CA 3.45Å; T61-L88 PolarHBondContact O-N 3.22Å; T61-H122 PolarHBondContact OG1-NE2 2.8Å
62	M	85.8	Confident	82.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	23%	0.233	C	C	.	.			trans	-95.1	36.1	176.7	-57.8	-169.9	76.6	0	0	112.6	I60 L88 T90 P97 H122 C123 R129 S130 L133	I60-M62 HydrophobicContact CG2-CG 4.22Å; M62-L88 WeakPolarHBondContact CA-O 3.32Å; M62-T90 HydrophobicContact CE-CG2 4.22Å; M62-P97 HydrophobicContact CE-CB 3.66Å; M62-P97 HydrophobicContact CE-CG 3.99Å; M62-H122 WeakPolarHBondContact CB-O 3.37Å; M62-H122 PolarHBondContact N-O 2.8Å; M62-C123 HydrophobicContact CB-CB 4.34Å; M62-R129 HydrophobicContact CB-CB 4.24Å; M62-R129 HydrophobicContact CE-CB 4.32Å; M62-R129 PolarHBondContact O-NH1 2.93Å; M62-R129 VanDerWaalsContact SD-C 3.52Å; M62-R129 HydrophobicContact SD-CB 4.34Å; M62-R129 VanDerWaalsContact SD-O 3.37Å; M62-S130 VanDerWaalsContact SD-CA 3.5Å; M62-L133 HydrophobicContact CE-CB 4.28Å; M62-L133 HydrophobicContact SD-CB 3.71Å; M62-L133 HydrophobicContact SD-CD2 4.01Å; M62-L133 HydrophobicContact SD-CG 4.47Å
63	N	78.9	Confident	81.7	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-120.1	155.6	-175.9	-76.6	109.3	0	0	0	111	L41 T61 E67 T68 H122 C123 K124	L41-N63 WeakPolarHBondContact CD2-OD1 3.4Å; T61-N63 VanDerWaalsContact C-N 3.26Å; T61-N63 HydrophobicContact CG2-CB 3.92Å; T61-N63 PolarHBondContact O-N 3.45Å; N63-E67 VanDerWaalsContact CA-OE2 3.26Å; N63-E67 WeakPolarHBondContact CA-OE2 3.39Å; N63-E67 HydrophobicContact CB-CB 4.08Å; N63-E67 WeakPolarHBondContact CB-OE2 3.39Å; N63-E67 VanDerWaalsContact ND2-CD 3.27Å; N63-E67 PolarHBondContact ND2-OE2 2.62Å; N63-T68 HydrophobicContact CB-CG2 3.95Å; N63-H122 PolarHBondContact OD1-ND1 3.3Å; N63-C123 WeakPolarHBondContact OD1-CA 3.48Å; N63-C123 PolarHBondContact OD1-O 2.93Å; N63-K124 PolarHBondContact ND2-N 2.87Å; N63-K124 PolarHBondContact OD1-N 2.92Å
64	E	70.4	Confident	81.4	Confident	55 Å²	55	42.7 Å²	42.7	26%	0.257	19%	0.192	S	C	.	.			trans	-74.1	151.9	167.1	-69.1	-64.7	159.1	0	0	110.5	Y66 E67	E64-Y66 HydrophobicContact CB-CD1 3.6Å; E64-Y66 HydrophobicContact CB-CE1 3.27Å; E64-Y66 HydrophobicContact CG-CE1 3.82Å; E64-Y66 PolarHBondContact O-N 3.18Å; E64-Y66 VanDerWaalsContact O-N 3.13Å; E64-E67 HydrophobicContact CB-CG 4.27Å; E64-E67 PolarHBondContact N-OE2 3.1Å; E64-E67 VanDerWaalsContact O-CB 3.28Å; E64-E67 WeakPolarHBondContact O-CB 3.36Å; E64-E67 PolarHBondContact O-N 3.07Å
65	E	62.9	Low	81	Confident	127 Å²	127	43.2 Å²	43.2	59%	0.593	20%	0.203	S	C	*	.	H	α-helix	trans	-57.9	-33.9	-173	-174.7	150.6	-115.8	0	0	114	E67 T68 K69 R87	E65-E67 PolarHBondContact O-N 3.35Å; E65-T68 PolarHBondContact O-N 3.41Å; E65-T68 PolarHBondContact O-OG1 2.82Å; E65-T68 VanDerWaalsContact O-OG1 3.13Å; E65-K69 PolarHBondContact O-N 3.48Å; E65-R87 VanDerWaalsContact CB-NH1 3.3Å; E65-R87 VanDerWaalsContact CD-NH1 3.29Å; E65-R87 VanDerWaalsContact CG-NH1 3.31Å; E65-R87 IonicContact OE1-CZ 2.92Å; E65-R87 IonicContact OE1-NH1 3.9Å; E65-R87 PolarHBondContact OE1-NH1 3.37Å
66	Y	62.8	Low	80.6	Confident	69 Å²	69	46.6 Å²	46.6	27%	0.271	22%	0.216	S	C	.	.	H	α-helix	trans	-69.6	-21.9	177.5	72	-95.2	0	0	0	113	R7 E64 T68	R7-Y66 HydrophobicContact CB-CE2 4.42Å; R7-Y66 HydrophobicContact CG-CD2 3.76Å; R7-Y66 HydrophobicContact CG-CE1 4.45Å; R7-Y66 HydrophobicContact CG-CE2 3.57Å; R7-Y66 HydrophobicContact CG-CG 4.3Å; E64-Y66 HydrophobicContact CB-CD1 3.6Å; E64-Y66 HydrophobicContact CB-CE1 3.27Å; E64-Y66 HydrophobicContact CG-CE1 3.82Å; E64-Y66 PolarHBondContact O-N 3.18Å; E64-Y66 VanDerWaalsContact O-N 3.13Å; Y66-T68 VanDerWaalsContact C-N 3.32Å
67	E	59	Low	80.4	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.047	23%	0.232	C	C	.	.	H	α-helix	trans	-76.2	-22.6	179	-63.1	-174.4	108	0	0	111.4	F10 N63 E64 E65 R129	F10-E67 HydrophobicContact CD2-CB 4.23Å; F10-E67 HydrophobicContact CD2-CG 3.67Å; F10-E67 WeakPolarHBondContact CD2-OE1 3.47Å; F10-E67 HydrophobicContact CE1-CB 4.24Å; F10-E67 HydrophobicContact CE2-CB 3.45Å; F10-E67 VanDerWaalsContact CE2-CB 3.45Å; F10-E67 HydrophobicContact CE2-CG 3.35Å; F10-E67 WeakPolarHBondContact CE2-OE1 3.5Å; F10-E67 HydrophobicContact CG-CG 4.43Å; F10-E67 HydrophobicContact CZ-CB 3.47Å; F10-E67 VanDerWaalsContact CZ-CB 3.47Å; F10-E67 HydrophobicContact CZ-CG 3.88Å; F10-E67 WeakPolarHBondContact CZ-O 3.41Å; N63-E67 VanDerWaalsContact CA-OE2 3.26Å; N63-E67 WeakPolarHBondContact CA-OE2 3.39Å; N63-E67 HydrophobicContact CB-CB 4.08Å; N63-E67 WeakPolarHBondContact CB-OE2 3.39Å; N63-E67 VanDerWaalsContact ND2-CD 3.27Å; N63-E67 PolarHBondContact ND2-OE2 2.62Å; E64-E67 HydrophobicContact CB-CG 4.27Å; E64-E67 PolarHBondContact N-OE2 3.1Å; E64-E67 VanDerWaalsContact O-CB 3.28Å; E64-E67 WeakPolarHBondContact O-CB 3.36Å; E64-E67 PolarHBondContact O-N 3.07Å; E65-E67 PolarHBondContact O-N 3.35Å; E67-R129 IonicContact OE1-NH2 2.93Å; E67-R129 PolarHBondContact OE1-NH2 3.06Å; E67-R129 IonicContact OE2-CZ 2.63Å; E67-R129 IonicContact OE2-NH1 2.68Å; E67-R129 PolarHBondContact OE2-NH1 3.13Å; E67-R129 IonicContact OE2-NH2 3.34Å
68	T	63	Low	80.3	Confident	6 Å²	6	46.2 Å²	46.2	4%	0.037	22%	0.218	C	C	.	.	H	α-helix	trans	-107.9	-22.3	-174.2	52.4	0	0	0	0	114.1	L41 T61 N63 E65 Y66 Y70 F71 C72	L41-T68 HydrophobicContact CD2-CG2 4.21Å; T61-T68 HydrophobicContact CG2-CG2 3.97Å; N63-T68 HydrophobicContact CB-CG2 3.95Å; E65-T68 PolarHBondContact O-N 3.41Å; E65-T68 PolarHBondContact O-OG1 2.82Å; E65-T68 VanDerWaalsContact O-OG1 3.13Å; Y66-T68 VanDerWaalsContact C-N 3.32Å; T68-Y70 PolarHBondContact O-N 2.9Å; T68-F71 PolarHBondContact O-N 2.89Å; T68-C72 HydrophobicContact CG2-CB 4.32Å; T68-C72 PolarHBondContact O-N 3.34Å; T68-C72 VanDerWaalsContact O-N 3.08Å
69	K	61.6	Low	80.1	Confident	148 Å²	148	54.1 Å²	54.1	64%	0.643	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	-31.1	-165.1	-169.5	170.8	-176.9	175.1	0	116.4	E65	E65-K69 PolarHBondContact O-N 3.48Å
70	Y	66.3	Low	80	Confident	158 Å²	158	58.1 Å²	58.1	62%	0.62	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	-20.5	-174.4	-64.2	-72.6	0	0	0	114.7	T68	T68-Y70 PolarHBondContact O-N 2.9Å
71	F	73.8	Confident	79.9	Confident	86 Å²	86	62.4 Å²	62.4	38%	0.377	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	-27.2	-166.5	-64.7	-65.3	0	0	0	113.6	Y11 L14 F43 K44 T68	Y11-F71 HydrophobicContact CD1-CE2 4.22Å; Y11-F71 HydrophobicContact CE1-CE2 4Å; L14-F71 HydrophobicContact CD2-CD2 4.34Å; L14-F71 HydrophobicContact CD2-CE2 4.46Å; F43-F71 WeakPolarHBondContact CA-O 3.3Å; F43-F71 HydrophobicContact CD1-CB 3.93Å; F43-F71 HydrophobicContact CE1-CB 3.99Å; F43-F71 HydrophobicContact CE1-CD1 4.38Å; F43-F71 HydrophobicContact CE1-CG 4.33Å; K44-F71 PolarHBondContact N-O 3.24Å; T68-F71 PolarHBondContact O-N 2.89Å
72	C	82.9	Confident	80	Confident	6 Å²	6	64.6 Å²	64.6	4%	0.041	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-103.9	162.8	-178.4	-57	0	0	0	0	110.5	P42 K44 T68	P42-C72 WeakPolarHBondContact O-CA 3.46Å; K44-C72 VanDerWaalsContact CE-O 3.27Å; K44-C72 WeakPolarHBondContact CE-O 3.46Å; T68-C72 HydrophobicContact CG2-CB 4.32Å; T68-C72 PolarHBondContact O-N 3.34Å; T68-C72 VanDerWaalsContact O-N 3.08Å
73	N	85.3	Confident	80.5	Confident	10 Å²	10	64.7 Å²	64.7	5%	0.053	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-64.8	143.7	169.6	-63.6	-28.4	0	0	0	111	K44 T47 E77 W78	K44-N73 VanDerWaalsContact CG-OD1 3.3Å; K44-N73 WeakPolarHBondContact CG-OD1 3.37Å; T47-N73 WeakPolarHBondContact CG2-ND2 3.32Å; T47-N73 PolarHBondContact OG1-ND2 3.1Å; N73-E77 VanDerWaalsContact CA-OE2 3.26Å; N73-E77 WeakPolarHBondContact CA-OE2 3.42Å; N73-E77 HydrophobicContact CB-CB 3.8Å; N73-W78 HydrophobicContact CB-CD2 3.91Å; N73-W78 HydrophobicContact CB-CG 3.93Å; N73-W78 HydrophobicContact CB-CZ2 4.26Å
74	S	87.5	Confident	81.3	Confident	41 Å²	41	69.8 Å²	69.8	29%	0.287	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-69.8	171.1	165.6	84.2	0	0	0	0	111.2	E76 E77 W78	S74-E76 VanDerWaalsContact CB-OE2 3.24Å; S74-E76 WeakPolarHBondContact CB-OE2 2.98Å; S74-E76 PolarHBondContact O-N 2.79Å; S74-E76 PolarHBondContact OG-N 3.43Å; S74-E76 PolarHBondContact OG-OE2 2.99Å; S74-E77 PolarHBondContact N-OE2 3.28Å; S74-E77 PolarHBondContact O-N 3.25Å; S74-E77 PolarHBondContact OG-N 3.25Å; S74-W78 VanDerWaalsContact O-CD1 3.28Å; S74-W78 PolarHBondContact O-N 3.01Å
75	A	87.9	Confident	82.5	Confident	44 Å²	44	69 Å²	69	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-36.3	175.7	0	0	0	0	0	111.4	K79	A75-K79 VanDerWaalsContact O-CB 3.28Å; A75-K79 WeakPolarHBondContact O-CB 3.43Å; A75-K79 PolarHBondContact O-N 2.92Å
76	E	89.4	Confident	84	Confident	136 Å²	136	64.1 Å²	64.1	64%	0.636	33%	0.327	S	S	*	.	H	α-helix	trans	-69.4	-42.4	177.5	-56.3	73	-157	0	0	111.6	S74 K79 A80	S74-E76 VanDerWaalsContact CB-OE2 3.24Å; S74-E76 WeakPolarHBondContact CB-OE2 2.98Å; S74-E76 PolarHBondContact O-N 2.79Å; S74-E76 PolarHBondContact OG-N 3.43Å; S74-E76 PolarHBondContact OG-OE2 2.99Å; E76-K79 PolarHBondContact O-N 2.85Å; E76-A80 WeakPolarHBondContact O-CB 3.39Å; E76-A80 PolarHBondContact O-N 2.88Å
77	E	91.9	Very high	85.3	Confident	74 Å²	74	63.8 Å²	63.8	35%	0.346	33%	0.325	S	S	.	.	H	α-helix	trans	-64.1	-42.9	176.1	-70.9	176.9	134.2	0	0	111.1	K44 N73 S74 K79 A80 E81	K44-E77 WeakPolarHBondContact CE-OE2 3.1Å; K44-E77 IonicContact NZ-OE1 3.93Å; K44-E77 PolarHBondContact NZ-OE1 2.77Å; K44-E77 IonicContact NZ-OE2 2.84Å; K44-E77 PolarHBondContact NZ-OE2 2.94Å; N73-E77 VanDerWaalsContact CA-OE2 3.26Å; N73-E77 WeakPolarHBondContact CA-OE2 3.42Å; N73-E77 HydrophobicContact CB-CB 3.8Å; S74-E77 PolarHBondContact N-OE2 3.28Å; S74-E77 PolarHBondContact O-N 3.25Å; S74-E77 PolarHBondContact OG-N 3.25Å; E77-K79 VanDerWaalsContact C-N 3.35Å; E77-K79 PolarHBondContact O-N 2.85Å; E77-A80 PolarHBondContact O-N 2.9Å; E77-E81 PolarHBondContact O-N 2.87Å
78	W	94.4	Very high	86.7	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-44.2	172.6	-82.1	124.4	0	0	0	112.2	P42 T47 L50 V51 V59 N73 S74 A80 E81 G82 V83	P42-W78 HydrophobicContact CB-CH2 4.39Å; P42-W78 HydrophobicContact CB-CZ2 3.97Å; P42-W78 HydrophobicContact CG-CZ2 3.89Å; T47-W78 HydrophobicContact CG2-CE3 4.38Å; T47-W78 HydrophobicContact CG2-CH2 4.41Å; T47-W78 HydrophobicContact CG2-CZ3 3.83Å; L50-W78 HydrophobicContact CD1-CH2 4.07Å; V51-W78 HydrophobicContact CG2-CZ3 4.31Å; V59-W78 HydrophobicContact CG1-CD2 4.06Å; V59-W78 HydrophobicContact CG1-CG 4Å; V59-W78 HydrophobicContact CG2-CZ2 4.43Å; N73-W78 HydrophobicContact CB-CD2 3.91Å; N73-W78 HydrophobicContact CB-CG 3.93Å; N73-W78 HydrophobicContact CB-CZ2 4.26Å; S74-W78 VanDerWaalsContact O-CD1 3.28Å; S74-W78 PolarHBondContact O-N 3.01Å; W78-A80 VanDerWaalsContact C-N 3.31Å; W78-A80 PolarHBondContact O-N 3.1Å; W78-E81 CarbonylContact O-C 3.55Å; W78-E81 PolarHBondContact O-N 3.41Å; W78-E81 VanDerWaalsContact O-N 3.1Å; W78-G82 PolarHBondContact O-N 2.79Å; W78-V83 CarbonylContact C-O 3.45Å; W78-V83 HydrophobicContact CB-CB 4.17Å; W78-V83 HydrophobicContact CD2-CB 4.26Å; W78-V83 HydrophobicContact CD2-CG1 4.18Å; W78-V83 HydrophobicContact CE3-CB 3.6Å; W78-V83 HydrophobicContact CE3-CG1 3.74Å; W78-V83 HydrophobicContact CE3-CG2 3.69Å; W78-V83 HydrophobicContact CZ3-CB 4.35Å; W78-V83 HydrophobicContact CZ3-CG1 4.28Å; W78-V83 HydrophobicContact CZ3-CG2 4.04Å; W78-V83 WeakPolarHBondContact O-CA 3.46Å; W78-V83 WeakPolarHBondContact O-CB 3.24Å; W78-V83 PolarHBondContact O-N 2.78Å
79	K	93.6	Very high	87.1	Confident	165 Å²	165	65.5 Å²	65.5	72%	0.717	34%	0.338	S	S	*	.	H	α-helix	trans	-63.5	-37.1	179.3	-172.6	176.8	-178.4	179.5	0	112.2	A75 E76 E77 E81 G82 V83	A75-K79 VanDerWaalsContact O-CB 3.28Å; A75-K79 WeakPolarHBondContact O-CB 3.43Å; A75-K79 PolarHBondContact O-N 2.92Å; E76-K79 PolarHBondContact O-N 2.85Å; E77-K79 VanDerWaalsContact C-N 3.35Å; E77-K79 PolarHBondContact O-N 2.85Å; K79-E81 PolarHBondContact O-N 3.26Å; K79-G82 PolarHBondContact O-N 3.02Å; K79-V83 PolarHBondContact N-O 2.84Å
80	A	93.9	Very high	87.3	Confident	85 Å²	85	58.9 Å²	58.9	70%	0.702	31%	0.31	S	S	*	.	H	α-helix	trans	-61.5	-32.5	175.1	0	0	0	0	0	112.3	E76 E77 W78 G82	E76-A80 WeakPolarHBondContact O-CB 3.39Å; E76-A80 PolarHBondContact O-N 2.88Å; E77-A80 PolarHBondContact O-N 2.9Å; W78-A80 VanDerWaalsContact C-N 3.31Å; W78-A80 PolarHBondContact O-N 3.1Å; A80-G82 VanDerWaalsContact C-N 3.27Å; A80-G82 PolarHBondContact O-N 3.36Å
81	E	94	Very high	86.7	Confident	90 Å²	90	57.8 Å²	57.8	42%	0.421	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	6.1	175.4	-62.2	-66.3	147.9	0	0	113.3	T47 V51 R57 E77 W78 K79 V83	T47-E81 HydrophobicContact CG2-CB 4.32Å; T47-E81 HydrophobicContact CG2-CG 3.8Å; V51-E81 HydrophobicContact CG2-CB 4.43Å; R57-E81 PolarHBondContact NH1-O 3.39Å; E77-E81 PolarHBondContact O-N 2.87Å; W78-E81 CarbonylContact O-C 3.55Å; W78-E81 PolarHBondContact O-N 3.41Å; W78-E81 VanDerWaalsContact O-N 3.1Å; K79-E81 PolarHBondContact O-N 3.26Å; E81-V83 HydrophobicContact CB-CG2 4.43Å
82	G	94	Very high	85.4	Confident	46 Å²	46	58.6 Å²	58.6	47%	0.474	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.4	30.6	-179	0	0	0	0	0	113.6	R57 W78 K79 A80	R57-G82 WeakPolarHBondContact CD-O 3.28Å; W78-G82 PolarHBondContact O-N 2.79Å; K79-G82 PolarHBondContact O-N 3.02Å; A80-G82 VanDerWaalsContact C-N 3.27Å; A80-G82 PolarHBondContact O-N 3.36Å
83	V	96.6	Very high	83.7	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.018	36%	0.36	C	S	.	.			trans	-113.6	129	177.1	-174.4	0	0	0	0	110	V51 V56 R57 V59 W78 K79 E81	V51-V83 HydrophobicContact CG2-CG2 3.53Å; V56-V83 HydrophobicContact CG1-CG1 4.35Å; V56-V83 WeakPolarHBondContact O-CG2 3.2Å; R57-V83 WeakPolarHBondContact O-CA 3.39Å; V59-V83 HydrophobicContact CB-CG1 4.2Å; V59-V83 HydrophobicContact CG1-CG1 3.97Å; W78-V83 CarbonylContact C-O 3.45Å; W78-V83 HydrophobicContact CB-CB 4.17Å; W78-V83 HydrophobicContact CD2-CB 4.26Å; W78-V83 HydrophobicContact CD2-CG1 4.18Å; W78-V83 HydrophobicContact CE3-CB 3.6Å; W78-V83 HydrophobicContact CE3-CG1 3.74Å; W78-V83 HydrophobicContact CE3-CG2 3.69Å; W78-V83 HydrophobicContact CZ3-CB 4.35Å; W78-V83 HydrophobicContact CZ3-CG1 4.28Å; W78-V83 HydrophobicContact CZ3-CG2 4.04Å; W78-V83 WeakPolarHBondContact O-CA 3.46Å; W78-V83 WeakPolarHBondContact O-CB 3.24Å; W78-V83 PolarHBondContact O-N 2.78Å; K79-V83 PolarHBondContact N-O 2.84Å; E81-V83 HydrophobicContact CB-CG2 4.43Å
84	E	96.2	Very high	82.5	Confident	106 Å²	106	67.9 Å²	67.9	50%	0.495	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	130.5	174.5	-172	176.5	174	0	0	110.6	R57 G58 V59 F108	R57-E84 PolarHBondContact O-N 3.37Å; G58-E84 CarbonylContact C-O 3.47Å; G58-E84 WeakPolarHBondContact CA-O 3.05Å; V59-E84 PolarHBondContact N-O 3.4Å; E84-F108 HydrophobicContact CB-CE2 4.35Å; E84-F108 HydrophobicContact CB-CZ 4.09Å; E84-F108 HydrophobicContact CG-CE2 3.84Å; E84-F108 HydrophobicContact CG-CZ 4.03Å
85	Q	95.2	Very high	81.5	Confident	38 Å²	38	66.5 Å²	66.5	18%	0.178	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.3	177.2	178.3	173.3	56.6	0	0	111.6	V59 T61	V59-Q85 HydrophobicContact CG1-CB 3.64Å; V59-Q85 HydrophobicContact CG1-CG 3.88Å; V59-Q85 WeakPolarHBondContact O-CA 3.22Å; T61-Q85 PolarHBondContact OG1-NE2 3.42Å
86	L	94.6	Very high	81.1	Confident	25 Å²	25	65.7 Å²	65.7	13%	0.131	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116	165.2	177.6	63.5	0	0	0	109.8	V59 I60 T61 L88 F108	V59-L86 PolarHBondContact O-N 3.23Å; I60-L86 CarbonylContact C-O 3.59Å; I60-L86 WeakPolarHBondContact CA-O 3.49Å; T61-L86 PolarHBondContact N-O 2.98Å; L86-L88 HydrophobicContact CD1-CD2 4.1Å; L86-L88 HydrophobicContact CD2-CD1 4.2Å; L86-L88 HydrophobicContact CD2-CD2 4.14Å; L86-L88 HydrophobicContact CD2-CG 4.19Å; L86-L88 HydrophobicContact CG-CD2 4.04Å; L86-L88 HydrophobicContact CG-CG 4.04Å; L86-F108 HydrophobicContact CB-CD1 4.16Å; L86-F108 HydrophobicContact CB-CD2 4Å; L86-F108 HydrophobicContact CB-CE1 4.17Å; L86-F108 HydrophobicContact CB-CE2 4.01Å; L86-F108 HydrophobicContact CB-CG 4.07Å; L86-F108 HydrophobicContact CB-CZ 4.1Å; L86-F108 HydrophobicContact CD2-CB 3.54Å; L86-F108 HydrophobicContact CD2-CD1 4.21Å; L86-F108 HydrophobicContact CD2-CD2 4.08Å; L86-F108 HydrophobicContact CD2-CG 3.68Å
87	R	90.8	Very high	80.7	Confident	63 Å²	63	59.3 Å²	59.3	24%	0.238	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.9	173.8	-169.6	172.6	-68.3	177.7	2.7	110.7	T61 E65	T61-R87 HydrophobicContact CG2-CG 4.44Å; T61-R87 WeakPolarHBondContact O-CA 3.45Å; E65-R87 VanDerWaalsContact CB-NH1 3.3Å; E65-R87 VanDerWaalsContact CD-NH1 3.29Å; E65-R87 VanDerWaalsContact CG-NH1 3.31Å; E65-R87 IonicContact OE1-CZ 2.92Å; E65-R87 IonicContact OE1-NH1 3.9Å; E65-R87 PolarHBondContact OE1-NH1 3.37Å
88	L	87.7	Confident	80.5	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	33%	0.334	C	S	.	.			trans	-118.1	83.2	177	-60.4	175.9	0	0	0	108.5	I60 T61 M62 L86 T90 N101 R104 L133	I60-L88 HydrophobicContact CG2-CD1 3.81Å; I60-L88 HydrophobicContact CG2-CG 4.27Å; T61-L88 PolarHBondContact O-N 3.22Å; M62-L88 WeakPolarHBondContact CA-O 3.32Å; L86-L88 HydrophobicContact CD1-CD2 4.1Å; L86-L88 HydrophobicContact CD2-CD1 4.2Å; L86-L88 HydrophobicContact CD2-CD2 4.14Å; L86-L88 HydrophobicContact CD2-CG 4.19Å; L86-L88 HydrophobicContact CG-CD2 4.04Å; L86-L88 HydrophobicContact CG-CG 4.04Å; L88-T90 PolarHBondContact O-N 3.15Å; L88-N101 HydrophobicContact CB-CB 4.45Å; L88-N101 HydrophobicContact CD1-CB 4.45Å; L88-N101 WeakPolarHBondContact CD1-O 3.28Å; L88-N101 HydrophobicContact CD2-CB 4.34Å; L88-R104 HydrophobicContact CD2-CB 4.33Å; L88-L133 HydrophobicContact CD1-CD2 4.26Å
89	S	72.6	Confident	80.3	Confident	50 Å²	50	60.2 Å²	60.2	35%	0.35	34%	0.343	S	S	.	.			trans	-63.3	120.3	179.1	-54.9	0	0	0	0	109.9
90	T	64.7	Low	80.2	Confident	10 Å²	10	58.4 Å²	58.4	6%	0.061	34%	0.337	C	S	.	.			trans	-94.5	105.7	169	55.8	0	0	0	0	107.5	M62 L88 D92 P97 R129	M62-T90 HydrophobicContact CE-CG2 4.22Å; L88-T90 PolarHBondContact O-N 3.15Å; T90-D92 PolarHBondContact O-N 3.46Å; T90-D92 VanDerWaalsContact O-N 3.09Å; T90-P97 HydrophobicContact CG2-CB 4.15Å; T90-R129 WeakPolarHBondContact OG1-CD 3.26Å
91	V	53.5	Low	80	Confident	135 Å²	135	55.4 Å²	55.4	82%	0.818	31%	0.309	S	S	*	.			trans	-61.6	-18.6	-177.6	-178.1	0	0	0	0	112.3
92	D	45.8	Very low	80	Confident	102 Å²	102	51.1 Å²	51.1	55%	0.545	29%	0.289	S	S	.	.			trans	-99.5	135.3	-162.5	-113.6	-28.6	0	0	0	115.3	T90 T94 G95	T90-D92 PolarHBondContact O-N 3.46Å; T90-D92 VanDerWaalsContact O-N 3.09Å; D92-T94 WeakPolarHBondContact CB-OG1 3.2Å; D92-T94 PolarHBondContact O-N 3Å; D92-G95 PolarHBondContact O-N 3.4Å
93	L	48.1	Very low	80	Confident	138 Å²	138	51.1 Å²	51.1	72%	0.723	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-15.2	170.6	-66.3	164.2	0	0	0	113
94	T	60.1	Low	80	Confident	74 Å²	74	56 Å²	56	45%	0.454	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-20.7	179.1	69.2	0	0	0	0	112.9	D92 V96 Q166	D92-T94 WeakPolarHBondContact CB-OG1 3.2Å; D92-T94 PolarHBondContact O-N 3Å; T94-V96 VanDerWaalsContact C-N 3.3Å; T94-V96 PolarHBondContact O-N 2.87Å; T94-Q166 PolarHBondContact O-NE2 3.41Å
95	G	67.4	Low	80	Confident	11 Å²	11	51 Å²	51	11%	0.113	27%	0.272	C	S	.	.			trans	65.6	29.2	-177.8	0	0	0	0	0	113.9	D92 R129 Q166	D92-G95 PolarHBondContact O-N 3.4Å; G95-R129 VanDerWaalsContact O-CG 3.28Å; G95-R129 WeakPolarHBondContact O-CG 3.33Å; G95-Q166 PolarHBondContact O-NE2 3.17Å; G95-Q166 VanDerWaalsContact O-NE2 3.12Å
96	V	78.3	Confident	80.1	Confident	28 Å²	28	49.2 Å²	49.2	17%	0.17	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-102	121.4	175.7	-174.5	0	0	0	0	109.2	T94 S165 Q166 M169	T94-V96 VanDerWaalsContact C-N 3.3Å; T94-V96 PolarHBondContact O-N 2.87Å; V96-S165 WeakPolarHBondContact CG2-OG 3.42Å; V96-Q166 HydrophobicContact CG1-CG 4.5Å; V96-Q166 HydrophobicContact CG2-CG 4Å; V96-M169 HydrophobicContact CG1-CB 4.18Å; V96-M169 HydrophobicContact CG1-CG 3.65Å
97	P	81.4	Confident	80.2	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.013	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-72.2	147.9	172.7	28.3	-32	0	0	0	112.1	M62 T90 L102 T132	M62-P97 HydrophobicContact CE-CB 3.66Å; M62-P97 HydrophobicContact CE-CG 3.99Å; T90-P97 HydrophobicContact CG2-CB 4.15Å; P97-L102 HydrophobicContact CB-CD2 4.11Å; P97-L102 HydrophobicContact CB-CG 4.31Å; P97-L102 HydrophobicContact CG-CD2 3.61Å; P97-L102 HydrophobicContact CG-CG 4.09Å; P97-T132 HydrophobicContact CG-CG2 3.89Å
98	S	87.6	Confident	80.5	Confident	54 Å²	54	51.7 Å²	51.7	38%	0.378	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-69.1	157.5	171.4	64	0	0	0	0	111.3	E100 N101 L102	S98-E100 VanDerWaalsContact C-N 3.27Å; S98-E100 PolarHBondContact O-N 3.33Å; S98-N101 PolarHBondContact O-N 3.38Å; S98-N101 VanDerWaalsContact O-N 3.16Å; S98-N101 WeakPolarHBondContact OG-CB 3.38Å; S98-N101 PolarHBondContact OG-N 3.33Å; S98-N101 PolarHBondContact OG-ND2 2.96Å; S98-L102 PolarHBondContact O-N 2.89Å
99	L	89.9	Confident	81	Confident	38 Å²	38	51.8 Å²	51.8	20%	0.199	28%	0.277	C	S	.	.	H	α-helix	trans	-56.2	-42	174.7	-77.6	174.1	0	0	0	112.4	N101 L102 H103 M169 R172 Y173	L99-N101 VanDerWaalsContact C-N 3.34Å; L99-N101 PolarHBondContact O-N 2.96Å; L99-L102 HydrophobicContact CD2-CD1 4.48Å; L99-L102 WeakPolarHBondContact O-CB 3.42Å; L99-L102 PolarHBondContact O-N 3.28Å; L99-L102 VanDerWaalsContact O-N 3.17Å; L99-H103 PolarHBondContact O-CD2 3.13Å; L99-H103 PolarHBondContact O-N 3.3Å; L99-M169 HydrophobicContact CD1-CE 3.83Å; L99-M169 HydrophobicContact CD2-CE 3.54Å; L99-M169 HydrophobicContact CD2-SD 3.98Å; L99-M169 HydrophobicContact CG-CE 3.47Å; L99-M169 VanDerWaalsContact CG-CE 3.47Å; L99-M169 HydrophobicContact CG-SD 3.71Å; L99-R172 HydrophobicContact CD1-CB 4.34Å; L99-R172 HydrophobicContact CD2-CB 4.31Å; L99-Y173 HydrophobicContact CD2-CD2 4.33Å
100	E	91	Very high	82.2	Confident	127 Å²	127	51.1 Å²	51.1	59%	0.593	27%	0.27	S	S	*	.	H	α-helix	trans	-59.7	-45.1	177.1	-171.2	-166	149.8	0	0	111.5	S98 L102 H103 R104	S98-E100 VanDerWaalsContact C-N 3.27Å; S98-E100 PolarHBondContact O-N 3.33Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.19Å; E100-H103 PolarHBondContact O-N 2.79Å; E100-R104 WeakPolarHBondContact O-CB 3.46Å; E100-R104 WeakPolarHBondContact O-CG 3.28Å; E100-R104 PolarHBondContact O-N 2.66Å
101	N	91.3	Very high	83.7	Confident	22 Å²	22	52.3 Å²	52.3	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-65.9	-34.8	176.7	-77	-15.8	0	0	0	111.8	L88 S98 L99 G105	L88-N101 HydrophobicContact CB-CB 4.45Å; L88-N101 HydrophobicContact CD1-CB 4.45Å; L88-N101 WeakPolarHBondContact CD1-O 3.28Å; L88-N101 HydrophobicContact CD2-CB 4.34Å; S98-N101 PolarHBondContact O-N 3.38Å; S98-N101 VanDerWaalsContact O-N 3.16Å; S98-N101 WeakPolarHBondContact OG-CB 3.38Å; S98-N101 PolarHBondContact OG-N 3.33Å; S98-N101 PolarHBondContact OG-ND2 2.96Å; L99-N101 VanDerWaalsContact C-N 3.34Å; L99-N101 PolarHBondContact O-N 2.96Å; N101-G105 PolarHBondContact O-N 3.3Å
102	L	93.3	Very high	85.8	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-49.7	173	-70.4	179.4	0	0	0	111.1	P97 S98 L99 E100 G105 V106 T132 L133 A136 Y173	P97-L102 HydrophobicContact CB-CD2 4.11Å; P97-L102 HydrophobicContact CB-CG 4.31Å; P97-L102 HydrophobicContact CG-CD2 3.61Å; P97-L102 HydrophobicContact CG-CG 4.09Å; S98-L102 PolarHBondContact O-N 2.89Å; L99-L102 HydrophobicContact CD2-CD1 4.48Å; L99-L102 WeakPolarHBondContact O-CB 3.42Å; L99-L102 PolarHBondContact O-N 3.28Å; L99-L102 VanDerWaalsContact O-N 3.17Å; E100-L102 VanDerWaalsContact C-N 3.3Å; E100-L102 PolarHBondContact O-N 3.19Å; L102-G105 PolarHBondContact O-N 3.48Å; L102-V106 WeakPolarHBondContact O-CB 3.42Å; L102-V106 WeakPolarHBondContact O-CG2 3.32Å; L102-V106 PolarHBondContact O-N 2.89Å; L102-T132 HydrophobicContact CD2-CG2 4.42Å; L102-L133 HydrophobicContact CD2-CB 4.37Å; L102-L133 HydrophobicContact CD2-CD1 3.7Å; L102-A136 HydrophobicContact CB-CB 4.46Å; L102-A136 HydrophobicContact CD1-CB 4.46Å; L102-A136 HydrophobicContact CD2-CB 3.92Å; L102-Y173 HydrophobicContact CB-CD2 3.93Å; L102-Y173 HydrophobicContact CB-CE2 4.09Å; L102-Y173 HydrophobicContact CD1-CD2 4.37Å; L102-Y173 HydrophobicContact CD1-CG 4.45Å
103	H	94.7	Very high	88.2	Confident	47 Å²	47	45.8 Å²	45.8	22%	0.218	23%	0.232	C	C	.	.	H	α-helix	trans	-56.8	-54.5	176.5	-78.5	-67.6	0	0	0	111.6	L99 E100 G105 V106 E107 Y173 Q176	L99-H103 PolarHBondContact O-CD2 3.13Å; L99-H103 PolarHBondContact O-N 3.3Å; E100-H103 PolarHBondContact O-N 2.79Å; H103-G105 VanDerWaalsContact C-N 3.33Å; H103-G105 PolarHBondContact O-N 3.33Å; H103-V106 PolarHBondContact O-N 3.36Å; H103-V106 VanDerWaalsContact O-N 3.17Å; H103-E107 WeakPolarHBondContact O-CB 3.4Å; H103-E107 VanDerWaalsContact O-CG 3.32Å; H103-E107 WeakPolarHBondContact O-CG 3.42Å; H103-E107 PolarHBondContact O-N 3.1Å; H103-Y173 AromaticContact CE1-CD2 3.98Å; H103-Y173 AromaticContact CE1-CE2 3.48Å; H103-Y173 VanDerWaalsContact CE1-CE2 3.48Å; H103-Y173 WeakPolarHBondContact CE1-CE2 3.43Å; H103-Y173 AromaticContact CG-CE2 3.8Å; H103-Y173 AromaticContact ND1-CE2 3.42Å; H103-Y173 WeakPolarHBondContact ND1-CE2 3.38Å; H103-Y173 AromaticContact NE2-CD2 3.96Å; H103-Y173 AromaticContact NE2-CE2 3.84Å; H103-Q176 PolarHBondContact NE2-OE1 3.13Å
104	R	95.9	Very high	90.4	Very high	106 Å²	106	47.4 Å²	47.4	40%	0.4	24%	0.236	S	C	.	.	H	α-helix	trans	-57.4	-44.1	-179.6	-70.7	175.7	61.9	-164.9	-3.7	112.7	L88 E100 F108	L88-R104 HydrophobicContact CD2-CB 4.33Å; E100-R104 WeakPolarHBondContact O-CB 3.46Å; E100-R104 WeakPolarHBondContact O-CG 3.28Å; E100-R104 PolarHBondContact O-N 2.66Å; R104-F108 VanDerWaalsContact O-CB 3.3Å; R104-F108 WeakPolarHBondContact O-CB 3.48Å; R104-F108 PolarHBondContact O-N 3.41Å
105	G	96.1	Very high	92.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69	-37.7	179.5	0	0	0	0	0	113	I60 N101 L102 H103 A109	I60-G105 VanDerWaalsContact CD1-O 3.25Å; I60-G105 WeakPolarHBondContact CD1-O 3.44Å; N101-G105 PolarHBondContact O-N 3.3Å; L102-G105 PolarHBondContact O-N 3.48Å; H103-G105 VanDerWaalsContact C-N 3.33Å; H103-G105 PolarHBondContact O-N 3.33Å; G105-A109 PolarHBondContact O-N 3.03Å; G105-A109 VanDerWaalsContact O-N 3.09Å
106	V	97.1	Very high	93.4	Very high	1 Å²	1	53 Å²	53	1%	0.006	27%	0.267	C	S	.	.	H	α-helix	trans	-70.4	-44.6	176.8	172	0	0	0	0	111.1	L102 H103 F108 A109 L110 L133 A136 Y137 R140 Y173	L102-V106 WeakPolarHBondContact O-CB 3.42Å; L102-V106 WeakPolarHBondContact O-CG2 3.32Å; L102-V106 PolarHBondContact O-N 2.89Å; H103-V106 PolarHBondContact O-N 3.36Å; H103-V106 VanDerWaalsContact O-N 3.17Å; V106-F108 VanDerWaalsContact C-N 3.3Å; V106-F108 PolarHBondContact O-N 3.17Å; V106-A109 PolarHBondContact O-N 3.18Å; V106-A109 VanDerWaalsContact O-N 3.15Å; V106-L110 HydrophobicContact CG1-CD1 4.11Å; V106-L110 HydrophobicContact CG1-CG 4.3Å; V106-L110 WeakPolarHBondContact O-CG 3.33Å; V106-L110 PolarHBondContact O-N 3.28Å; V106-L133 HydrophobicContact CG2-CD1 4.17Å; V106-A136 HydrophobicContact CG2-CB 3.86Å; V106-Y137 HydrophobicContact CG1-CD2 4.44Å; V106-R140 HydrophobicContact CG1-CB 3.63Å; V106-R140 HydrophobicContact CG1-CG 3.62Å; V106-Y173 WeakPolarHBondContact CG1-OH 3.27Å
107	E	97.1	Very high	94.3	Very high	119 Å²	119	52 Å²	52	56%	0.556	26%	0.261	S	S	*	.	H	α-helix	trans	-59.2	-42.6	175.4	-73.6	174	163.8	0	0	111.7	H103 A109 L110 S111	H103-E107 WeakPolarHBondContact O-CB 3.4Å; H103-E107 VanDerWaalsContact O-CG 3.32Å; H103-E107 WeakPolarHBondContact O-CG 3.42Å; H103-E107 PolarHBondContact O-N 3.1Å; E107-A109 PolarHBondContact O-N 3.25Å; E107-L110 PolarHBondContact O-N 3.06Å; E107-S111 PolarHBondContact O-N 3.45Å
108	F	97.8	Very high	95.1	Very high	21 Å²	21	52.2 Å²	52.2	9%	0.092	26%	0.263	C	S	.	.	H	α-helix	trans	-57.4	-49.4	173.1	-175.8	-95.8	0	0	0	111.5	I60 E84 L86 R104 V106 L110 S111 H112 V119	I60-F108 HydrophobicContact CD1-CD1 3.85Å; I60-F108 HydrophobicContact CG1-CD1 3.62Å; I60-F108 HydrophobicContact CG1-CE1 3.96Å; E84-F108 HydrophobicContact CB-CE2 4.35Å; E84-F108 HydrophobicContact CB-CZ 4.09Å; E84-F108 HydrophobicContact CG-CE2 3.84Å; E84-F108 HydrophobicContact CG-CZ 4.03Å; L86-F108 HydrophobicContact CB-CD1 4.16Å; L86-F108 HydrophobicContact CB-CD2 4Å; L86-F108 HydrophobicContact CB-CE1 4.17Å; L86-F108 HydrophobicContact CB-CE2 4.01Å; L86-F108 HydrophobicContact CB-CG 4.07Å; L86-F108 HydrophobicContact CB-CZ 4.1Å; L86-F108 HydrophobicContact CD2-CB 3.54Å; L86-F108 HydrophobicContact CD2-CD1 4.21Å; L86-F108 HydrophobicContact CD2-CD2 4.08Å; L86-F108 HydrophobicContact CD2-CG 3.68Å; R104-F108 VanDerWaalsContact O-CB 3.3Å; R104-F108 WeakPolarHBondContact O-CB 3.48Å; R104-F108 PolarHBondContact O-N 3.41Å; V106-F108 VanDerWaalsContact C-N 3.3Å; V106-F108 PolarHBondContact O-N 3.17Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 2.99Å; F108-S111 PolarHBondContact O-N 3.26Å; F108-S111 PolarHBondContact O-OG 3.31Å; F108-H112 AromaticContact CD1-CD2 3.97Å; F108-H112 AromaticContact CE1-CD2 3.64Å; F108-H112 AromaticContact CE1-NE2 3.63Å; F108-H112 AromaticContact CE2-NE2 3.76Å; F108-H112 AromaticContact CZ-CD2 3.76Å; F108-H112 AromaticContact CZ-NE2 3.28Å; F108-H112 VanDerWaalsContact CZ-NE2 3.28Å; F108-H112 WeakPolarHBondContact CZ-NE2 3.5Å; F108-H112 PolarHBondContact O-CD2 3.43Å; F108-H112 VanDerWaalsContact O-CD2 3.32Å; F108-H112 PolarHBondContact O-N 3.39Å; F108-V119 HydrophobicContact CD1-CG1 4.23Å; F108-V119 HydrophobicContact CE1-CG1 4.11Å
109	A	97.4	Very high	95.5	Very high	2 Å²	2	49.7 Å²	49.7	2%	0.017	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-40	176.6	0	0	0	0	0	113.1	V36 G105 V106 E107 H112 R113 Y137	V36-A109 HydrophobicContact CG2-CB 4.26Å; G105-A109 PolarHBondContact O-N 3.03Å; G105-A109 VanDerWaalsContact O-N 3.09Å; V106-A109 PolarHBondContact O-N 3.18Å; V106-A109 VanDerWaalsContact O-N 3.15Å; E107-A109 PolarHBondContact O-N 3.25Å; A109-H112 PolarHBondContact O-N 3.41Å; A109-R113 PolarHBondContact O-N 2.92Å; A109-Y137 HydrophobicContact CB-CD2 3.71Å; A109-Y137 HydrophobicContact CB-CE2 3.85Å
110	L	97.1	Very high	95.9	Very high	37 Å²	37	47.9 Å²	47.9	19%	0.194	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-41.9	176.1	-71.2	176.7	0	0	0	112.2	V106 E107 F108 H112 R113 E114 Y137 R140 I141	V106-L110 HydrophobicContact CG1-CD1 4.11Å; V106-L110 HydrophobicContact CG1-CG 4.3Å; V106-L110 WeakPolarHBondContact O-CG 3.33Å; V106-L110 PolarHBondContact O-N 3.28Å; E107-L110 PolarHBondContact O-N 3.06Å; F108-L110 VanDerWaalsContact C-N 3.34Å; F108-L110 PolarHBondContact O-N 2.99Å; L110-H112 PolarHBondContact O-N 2.9Å; L110-R113 WeakPolarHBondContact O-CA 3.41Å; L110-R113 VanDerWaalsContact O-CB 3.3Å; L110-R113 WeakPolarHBondContact O-CB 3.31Å; L110-R113 PolarHBondContact O-N 2.82Å; L110-E114 PolarHBondContact O-N 2.96Å; L110-Y137 HydrophobicContact CD2-CE2 3.97Å; L110-Y137 HydrophobicContact CG-CE2 4.46Å; L110-R140 HydrophobicContact CD1-CG 3.82Å; L110-I141 HydrophobicContact CD2-CG2 3.74Å
111	S	97.4	Very high	96.1	Very high	35 Å²	35	42 Å²	42	25%	0.245	21%	0.208	C	C	.	.	H	α-helix	trans	-60.5	-32.1	177.3	80.6	0	0	0	0	112.5	E107 F108 K115	E107-S111 PolarHBondContact O-N 3.45Å; F108-S111 PolarHBondContact O-N 3.26Å; F108-S111 PolarHBondContact O-OG 3.31Å; S111-K115 WeakPolarHBondContact O-CD 3.48Å; S111-K115 VanDerWaalsContact O-CG 3.3Å; S111-K115 WeakPolarHBondContact O-CG 3.41Å
112	H	96.9	Very high	96.2	Very high	6 Å²	6	41 Å²	41	3%	0.028	20%	0.203	C	C	.	.	H	α-helix	trans	-79	-33.8	175.1	-82.5	-75.9	0	0	0	112.8	R57 G58 F108 A109 L110 E114 K115 G116 S117 V119	R57-H112 PolarHBondContact O-CE1 3.24Å; G58-H112 WeakPolarHBondContact CA-NE2 3.39Å; F108-H112 AromaticContact CD1-CD2 3.97Å; F108-H112 AromaticContact CE1-CD2 3.64Å; F108-H112 AromaticContact CE1-NE2 3.63Å; F108-H112 AromaticContact CE2-NE2 3.76Å; F108-H112 AromaticContact CZ-CD2 3.76Å; F108-H112 AromaticContact CZ-NE2 3.28Å; F108-H112 VanDerWaalsContact CZ-NE2 3.28Å; F108-H112 WeakPolarHBondContact CZ-NE2 3.5Å; F108-H112 PolarHBondContact O-CD2 3.43Å; F108-H112 VanDerWaalsContact O-CD2 3.32Å; F108-H112 PolarHBondContact O-N 3.39Å; A109-H112 PolarHBondContact O-N 3.41Å; L110-H112 PolarHBondContact O-N 2.9Å; H112-E114 VanDerWaalsContact C-N 3.34Å; H112-K115 PolarHBondContact O-N 2.93Å; H112-G116 PolarHBondContact O-N 3.06Å; H112-S117 CarbonylContact C-O 3.55Å; H112-S117 WeakPolarHBondContact CA-OG 3.43Å; H112-S117 WeakPolarHBondContact CB-OG 3.25Å; H112-S117 PolarHBondContact ND1-OG 3.21Å; H112-S117 PolarHBondContact O-N 3.11Å; H112-S117 VanDerWaalsContact O-O 3.13Å; H112-S117 PolarHBondContact O-OG 3.32Å; H112-V119 HydrophobicContact CB-CG2 3.24Å; H112-V119 VanDerWaalsContact CG-CG2 3.45Å
113	R	96.1	Very high	95.8	Very high	94 Å²	94	41.2 Å²	41.2	36%	0.355	21%	0.205	S	C	.	.	H	α-helix	trans	-57.8	-47	171.5	-177.4	178.4	-172	126	-2.6	111	D33 T35 A109 L110 K115 G116 Y137	D33-R113 IonicContact OD2-CZ 3.57Å; D33-R113 IonicContact OD2-NH1 2.68Å; D33-R113 PolarHBondContact OD2-NH1 2.77Å; T35-R113 HydrophobicContact CG2-CB 3.85Å; T35-R113 WeakPolarHBondContact OG1-CB 3.38Å; T35-R113 WeakPolarHBondContact OG1-CG 3.31Å; A109-R113 PolarHBondContact O-N 2.92Å; L110-R113 WeakPolarHBondContact O-CA 3.41Å; L110-R113 VanDerWaalsContact O-CB 3.3Å; L110-R113 WeakPolarHBondContact O-CB 3.31Å; L110-R113 PolarHBondContact O-N 2.82Å; R113-K115 PolarHBondContact O-N 3.28Å; R113-G116 PolarHBondContact O-N 3Å; R113-Y137 WeakPolarHBondContact CD-OH 3.3Å; R113-Y137 PolarHBondContact NH1-OH 2.95Å
114	E	95.4	Very high	95.2	Very high	172 Å²	172	41.2 Å²	41.2	80%	0.804	20%	0.204	S	C	*	.	H	α-helix	trans	-61	-33.2	178.3	-70.6	174.6	176.4	0	0	112.6	L110 H112 G116	L110-E114 PolarHBondContact O-N 2.96Å; H112-E114 VanDerWaalsContact C-N 3.34Å; E114-G116 VanDerWaalsContact C-N 3.27Å; E114-G116 PolarHBondContact O-N 2.89Å
115	K	94.7	Very high	94.4	Very high	144 Å²	144	36.9 Å²	36.9	63%	0.626	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-1.8	176.3	-63.8	167.1	-170.7	168.8	0	113.5	S111 H112 R113 S117	S111-K115 WeakPolarHBondContact O-CD 3.48Å; S111-K115 VanDerWaalsContact O-CG 3.3Å; S111-K115 WeakPolarHBondContact O-CG 3.41Å; H112-K115 PolarHBondContact O-N 2.93Å; R113-K115 PolarHBondContact O-N 3.28Å; K115-S117 VanDerWaalsContact C-N 3.25Å; K115-S117 PolarHBondContact O-N 3.24Å
116	G	95.4	Very high	93.6	Very high	57 Å²	57	36.9 Å²	36.9	59%	0.588	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	68	23.3	-175.5	0	0	0	0	0	114	N55 H112 R113 E114	N55-G116 PolarHBondContact ND2-O 3.37Å; H112-G116 PolarHBondContact O-N 3.06Å; R113-G116 PolarHBondContact O-N 3Å; E114-G116 VanDerWaalsContact C-N 3.27Å; E114-G116 PolarHBondContact O-N 2.89Å
117	S	96.6	Very high	93	Very high	8 Å²	8	40.1 Å²	40.1	6%	0.056	20%	0.203	C	C	.	.			trans	-107.9	158.2	-179.7	63.5	0	0	0	0	111.8	H112 K115	H112-S117 CarbonylContact C-O 3.55Å; H112-S117 WeakPolarHBondContact CA-OG 3.43Å; H112-S117 WeakPolarHBondContact CB-OG 3.25Å; H112-S117 PolarHBondContact ND1-OG 3.21Å; H112-S117 PolarHBondContact O-N 3.11Å; H112-S117 VanDerWaalsContact O-O 3.13Å; H112-S117 PolarHBondContact O-OG 3.32Å; K115-S117 VanDerWaalsContact C-N 3.25Å; K115-S117 PolarHBondContact O-N 3.24Å
118	S	97.4	Very high	92.4	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.049	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	154.6	178.1	-64.4	0	0	0	0	112.4	T35 E54 N55 V56 R57 G58	T35-S118 CarbonylContact O-C 3.56Å; T35-S118 WeakPolarHBondContact O-CA 3.28Å; T35-S118 WeakPolarHBondContact O-CB 3.49Å; E54-S118 VanDerWaalsContact O-CB 3.23Å; E54-S118 WeakPolarHBondContact O-CB 3.19Å; E54-S118 PolarHBondContact O-OG 2.68Å; E54-S118 VanDerWaalsContact O-OG 3.06Å; N55-S118 WeakPolarHBondContact O-CB 3.4Å; N55-S118 PolarHBondContact O-N 2.87Å; V56-S118 WeakPolarHBondContact CA-O 3.45Å; R57-S118 PolarHBondContact N-O 3.17Å; G58-S118 PolarHBondContact N-O 2.92Å
119	V	97.9	Very high	91.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.8	176.1	-178.8	0	0	0	0	110.7	T35 I37 G58 I60 F108 H112 V121	T35-V119 HydrophobicContact CG2-CG2 4.38Å; T35-V119 PolarHBondContact O-N 3.49Å; I37-V119 PolarHBondContact N-O 3.41Å; G58-V119 CarbonylContact O-C 3.49Å; G58-V119 VanDerWaalsContact O-CA 3.25Å; G58-V119 WeakPolarHBondContact O-CA 3.34Å; I60-V119 HydrophobicContact CD1-CG1 3.99Å; I60-V119 HydrophobicContact CG1-CG1 3.75Å; F108-V119 HydrophobicContact CD1-CG1 4.23Å; F108-V119 HydrophobicContact CE1-CG1 4.11Å; H112-V119 HydrophobicContact CB-CG2 3.24Å; H112-V119 VanDerWaalsContact CG-CG2 3.45Å; V119-V121 HydrophobicContact CG1-CG2 4.08Å
120	Y	97.4	Very high	91.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	111.5	175	-168.7	-95	0	0	0	110.6	F29 I37 G39 A40 P42 L50 G58 V59 I60 H122	F29-Y120 HydrophobicContact CB-CE2 3.63Å; F29-Y120 HydrophobicContact CD1-CE2 4.15Å; F29-Y120 AromaticContact CG-CE2 3.87Å; F29-Y120 HydrophobicContact CG-CE2 3.87Å; I37-Y120 HydrophobicContact CB-CD2 4.02Å; I37-Y120 HydrophobicContact CG2-CD2 3.7Å; I37-Y120 HydrophobicContact CG2-CE2 3.91Å; G39-Y120 WeakPolarHBondContact CA-OH 3.27Å; A40-Y120 WeakPolarHBondContact O-CE1 3.43Å; A40-Y120 PolarHBondContact O-OH 3.3Å; P42-Y120 HydrophobicContact CB-CD1 4.25Å; P42-Y120 HydrophobicContact CB-CE1 3.83Å; P42-Y120 HydrophobicContact CG-CD1 4.29Å; P42-Y120 HydrophobicContact CG-CE1 4.02Å; L50-Y120 HydrophobicContact CD1-CD2 4.31Å; L50-Y120 HydrophobicContact CD1-CE2 4.4Å; L50-Y120 HydrophobicContact CD1-CG 4.43Å; L50-Y120 HydrophobicContact CD2-CD2 3.52Å; L50-Y120 HydrophobicContact CD2-CE2 3.65Å; L50-Y120 HydrophobicContact CD2-CG 4.32Å; G58-Y120 PolarHBondContact O-N 3.38Å; V59-Y120 CarbonylContact C-O 3.52Å; V59-Y120 WeakPolarHBondContact CA-O 3.33Å; V59-Y120 HydrophobicContact CG2-CD1 4.28Å; I60-Y120 PolarHBondContact N-O 3.41Å; Y120-H122 HydrophobicContact CD1-CB 3.98Å; Y120-H122 AromaticContact CD1-CD2 3.98Å; Y120-H122 HydrophobicContact CE1-CB 3.54Å
121	V	95.8	Very high	91.4	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.3	-178.5	-172.3	0	0	0	0	109.4	V36 I37 G39 I60 V119 L133	V36-V121 HydrophobicContact CG1-CG2 4Å; I37-V121 PolarHBondContact O-N 2.99Å; G39-V121 PolarHBondContact N-O 2.94Å; G39-V121 VanDerWaalsContact N-O 3.1Å; I60-V121 HydrophobicContact CB-CG1 4.31Å; I60-V121 HydrophobicContact CB-CG2 4.39Å; I60-V121 HydrophobicContact CD1-CG2 4.06Å; I60-V121 HydrophobicContact CG1-CG2 4.38Å; V119-V121 HydrophobicContact CG1-CG2 4.08Å; V121-L133 HydrophobicContact CG1-CB 4.36Å; V121-L133 HydrophobicContact CG1-CD2 3.84Å; V121-L133 HydrophobicContact CG1-CG 4.5Å
122	H	92.2	Very high	91.2	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158.2	-175.4	81.7	91.9	0	0	0	114.7	G39 A40 P42 I60 T61 M62 N63 Y120 S130	G39-H122 WeakPolarHBondContact O-CA 3.47Å; G39-H122 WeakPolarHBondContact O-CB 3.45Å; A40-H122 WeakPolarHBondContact O-CB 3.45Å; P42-H122 VanDerWaalsContact CD-CE1 3.46Å; P42-H122 WeakPolarHBondContact CD-CE1 3.43Å; P42-H122 WeakPolarHBondContact CD-ND1 3.48Å; I60-H122 PolarHBondContact O-CD2 2.85Å; I60-H122 PolarHBondContact O-N 3.31Å; T61-H122 PolarHBondContact OG1-NE2 2.8Å; M62-H122 WeakPolarHBondContact CB-O 3.37Å; M62-H122 PolarHBondContact N-O 2.8Å; N63-H122 PolarHBondContact OD1-ND1 3.3Å; Y120-H122 HydrophobicContact CD1-CB 3.98Å; Y120-H122 AromaticContact CD1-CD2 3.98Å; Y120-H122 HydrophobicContact CE1-CB 3.54Å; H122-S130 VanDerWaalsContact C-CB 3.44Å
123	C	86.4	Confident	91.2	Very high	6 Å²	6	32.8 Å²	32.8	4%	0.041	17%	0.165	C	C	.	.			trans	-130.1	-145.9	163.9	73.5	0	0	0	0	107.4	L41 M62 N63 G126 R129 S130	L41-C123 WeakPolarHBondContact CD2-O 3.48Å; M62-C123 HydrophobicContact CB-CB 4.34Å; N63-C123 WeakPolarHBondContact OD1-CA 3.48Å; N63-C123 PolarHBondContact OD1-O 2.93Å; C123-G126 PolarHBondContact SG-N 2.89Å; C123-G126 VanDerWaalsContact SG-N 3.4Å; C123-R129 HydrophobicContact CB-CB 3.87Å; C123-S130 PolarHBondContact N-OG 3.03Å; C123-S130 PolarHBondContact SG-OG 3.39Å; C123-S130 VanDerWaalsContact SG-OG 3.37Å
124	K	80.4	Confident	91.2	Very high	46 Å²	46	28.4 Å²	28.4	20%	0.2	15%	0.149	C	C	.	.	S	Bend	trans	-64.2	-54.7	171.9	-171.3	172.2	77.8	-177.3	0	113.8	F10 T13 L14 L41 N63	F10-K124 HydrophobicContact CD2-CD 3.37Å; F10-K124 HydrophobicContact CD2-CG 4.31Å; F10-K124 HydrophobicContact CE2-CB 4.16Å; F10-K124 HydrophobicContact CE2-CD 3.18Å; F10-K124 HydrophobicContact CE2-CG 3.62Å; F10-K124 HydrophobicContact CG-CD 4.3Å; F10-K124 HydrophobicContact CZ-CD 4.01Å; F10-K124 HydrophobicContact CZ-CG 4.14Å; T13-K124 PolarHBondContact OG1-NZ 3.48Å; L14-K124 HydrophobicContact CD1-CG 4.18Å; L41-K124 PolarHBondContact N-O 3.49Å; N63-K124 PolarHBondContact ND2-N 2.87Å; N63-K124 PolarHBondContact OD1-N 2.92Å
125	A	79.6	Confident	91.2	Very high	16 Å²	16	20.2 Å²	20.2	13%	0.132	11%	0.11	C	C	.	.	S	Bend	trans	-115	-6	-172.6	0	0	0	0	0	113.6	R127 R157	A125-R127 HydrophobicContact CB-CB 4.44Å; A125-R127 HydrophobicContact CB-CG 3.86Å; A125-R157 PolarHBondContact O-NH2 3.03Å
126	G	79.7	Confident	91.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	68.1	37.1	-173.9	0	0	0	0	0	113.7	G39 C123 S130 R157	G39-G126 WeakPolarHBondContact O-CA 3.45Å; G39-G126 PolarHBondContact O-N 3.22Å; C123-G126 PolarHBondContact SG-N 2.89Å; C123-G126 VanDerWaalsContact SG-N 3.4Å; G126-S130 WeakPolarHBondContact CA-OG 3.28Å; G126-R157 PolarHBondContact O-NE 2.96Å
127	R	83.3	Confident	91.4	Very high	68 Å²	68	10.8 Å²	10.8	26%	0.257	5%	0.053	S	C	.	.	S	Bend	trans	-120.7	-34.7	-170.2	-64.3	178.7	71.9	-172.2	3.6	115	A125 A131 H159 I161	A125-R127 HydrophobicContact CB-CB 4.44Å; A125-R127 HydrophobicContact CB-CG 3.86Å; R127-A131 WeakPolarHBondContact O-CB 3.34Å; R127-H159 WeakPolarHBondContact CG-O 3.47Å; R127-H159 PolarHBondContact NE-O 3.36Å; R127-I161 CarbonylContact O-C 3.58Å; R127-I161 PolarHBondContact O-N 2.97Å; R127-I161 VanDerWaalsContact O-O 3.13Å
128	C	85.4	Confident	91.4	Very high	28 Å²	28	10.5 Å²	10.5	19%	0.189	5%	0.051	C	C	.	.	S	Bend	trans	-126.4	-77.4	-167	-166.5	0	0	0	0	111	A131 T132 I161 Q166	C128-A131 PolarHBondContact O-N 2.84Å; C128-T132 PolarHBondContact O-N 3Å; C128-T132 PolarHBondContact O-OG1 3.23Å; C128-I161 WeakPolarHBondContact CA-O 3.48Å; C128-Q166 PolarHBondContact SG-NE2 2.84Å
129	R	87.9	Confident	91.4	Very high	36 Å²	36	10.1 Å²	10.1	14%	0.136	5%	0.049	C	C	.	.	H	α-helix	trans	-53.2	-59.6	179.6	-71.6	177.2	-80.8	174.2	-6.8	112.6	M62 E67 T90 G95 C123 A131 T132 L133	M62-R129 HydrophobicContact CB-CB 4.24Å; M62-R129 HydrophobicContact CE-CB 4.32Å; M62-R129 PolarHBondContact O-NH1 2.93Å; M62-R129 VanDerWaalsContact SD-C 3.52Å; M62-R129 HydrophobicContact SD-CB 4.34Å; M62-R129 VanDerWaalsContact SD-O 3.37Å; E67-R129 IonicContact OE1-NH2 2.93Å; E67-R129 PolarHBondContact OE1-NH2 3.06Å; E67-R129 IonicContact OE2-CZ 2.63Å; E67-R129 IonicContact OE2-NH1 2.68Å; E67-R129 PolarHBondContact OE2-NH1 3.13Å; E67-R129 IonicContact OE2-NH2 3.34Å; T90-R129 WeakPolarHBondContact OG1-CD 3.26Å; G95-R129 VanDerWaalsContact O-CG 3.28Å; G95-R129 WeakPolarHBondContact O-CG 3.33Å; C123-R129 HydrophobicContact CB-CB 3.87Å; R129-A131 VanDerWaalsContact C-N 3.32Å; R129-A131 PolarHBondContact O-N 3.26Å; R129-T132 WeakPolarHBondContact O-CB 3.15Å; R129-T132 PolarHBondContact O-N 3.17Å; R129-L133 PolarHBondContact O-N 2.95Å
130	S	90.8	Very high	91.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-66.6	-32.6	-179.6	53.8	0	0	0	0	113.7	L38 M62 H122 C123 G126 T132 L133 A134	L38-S130 WeakPolarHBondContact CD1-OG 3.3Å; M62-S130 VanDerWaalsContact SD-CA 3.5Å; H122-S130 VanDerWaalsContact C-CB 3.44Å; C123-S130 PolarHBondContact N-OG 3.03Å; C123-S130 PolarHBondContact SG-OG 3.39Å; C123-S130 VanDerWaalsContact SG-OG 3.37Å; G126-S130 WeakPolarHBondContact CA-OG 3.28Å; S130-T132 VanDerWaalsContact C-N 3.3Å; S130-T132 PolarHBondContact O-N 3.42Å; S130-L133 PolarHBondContact O-N 2.66Å; S130-A134 PolarHBondContact O-N 3.44Å
131	A	92.8	Very high	91.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66.7	-34.9	175	0	0	0	0	0	111.7	L38 R127 C128 R129 A134 A135 L153 V160 I162	L38-A131 HydrophobicContact CD2-CB 4.04Å; R127-A131 WeakPolarHBondContact O-CB 3.34Å; C128-A131 PolarHBondContact O-N 2.84Å; R129-A131 VanDerWaalsContact C-N 3.32Å; R129-A131 PolarHBondContact O-N 3.26Å; A131-A134 PolarHBondContact O-N 3.14Å; A131-A135 WeakPolarHBondContact O-CB 3.44Å; A131-A135 PolarHBondContact O-N 3.29Å; A131-L153 VanDerWaalsContact O-CD1 3.31Å; A131-L153 WeakPolarHBondContact O-CD1 3.35Å; A131-V160 HydrophobicContact CB-CB 4.37Å; A131-V160 HydrophobicContact CB-CG1 3.57Å; A131-V160 HydrophobicContact CB-CG2 3.93Å; A131-I162 HydrophobicContact CB-CD1 3.8Å
132	T	94	Very high	91.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-64.1	-42.9	174.5	-50.5	0	0	0	0	110.7	P97 L102 C128 R129 S130 A135 A136 Q166 L170	P97-T132 HydrophobicContact CG-CG2 3.89Å; L102-T132 HydrophobicContact CD2-CG2 4.42Å; C128-T132 PolarHBondContact O-N 3Å; C128-T132 PolarHBondContact O-OG1 3.23Å; R129-T132 WeakPolarHBondContact O-CB 3.15Å; R129-T132 PolarHBondContact O-N 3.17Å; S130-T132 VanDerWaalsContact C-N 3.3Å; S130-T132 PolarHBondContact O-N 3.42Å; T132-A135 WeakPolarHBondContact O-CB 3.23Å; T132-A135 PolarHBondContact O-N 3.12Å; T132-A136 PolarHBondContact O-N 3Å; T132-Q166 HydrophobicContact CG2-CB 4.03Å; T132-Q166 HydrophobicContact CG2-CG 4.27Å; T132-Q166 WeakPolarHBondContact OG1-CG 3.42Å; T132-L170 HydrophobicContact CG2-CD1 4.34Å; T132-L170 HydrophobicContact CG2-CD2 3.99Å; T132-L170 HydrophobicContact CG2-CG 4.04Å; T132-L170 WeakPolarHBondContact O-CD2 3.44Å
133	L	95.4	Very high	91.2	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.016	12%	0.122	C	C	.	.	H	α-helix	trans	-66.1	-41.9	176	-172.8	70.9	0	0	0	112.2	I60 M62 L88 L102 V106 V121 R129 S130 A135 A136 Y137	I60-L133 HydrophobicContact CB-CD2 4.33Å; I60-L133 HydrophobicContact CD1-CD2 3.68Å; I60-L133 HydrophobicContact CG2-CD2 3.65Å; M62-L133 HydrophobicContact CE-CB 4.28Å; M62-L133 HydrophobicContact SD-CB 3.71Å; M62-L133 HydrophobicContact SD-CD2 4.01Å; M62-L133 HydrophobicContact SD-CG 4.47Å; L88-L133 HydrophobicContact CD1-CD2 4.26Å; L102-L133 HydrophobicContact CD2-CB 4.37Å; L102-L133 HydrophobicContact CD2-CD1 3.7Å; V106-L133 HydrophobicContact CG2-CD1 4.17Å; V121-L133 HydrophobicContact CG1-CB 4.36Å; V121-L133 HydrophobicContact CG1-CD2 3.84Å; V121-L133 HydrophobicContact CG1-CG 4.5Å; R129-L133 PolarHBondContact O-N 2.95Å; S130-L133 PolarHBondContact O-N 2.66Å; L133-A135 PolarHBondContact O-N 3.08Å; L133-A136 WeakPolarHBondContact O-CB 3.42Å; L133-A136 PolarHBondContact O-N 3.22Å; L133-Y137 PolarHBondContact O-N 3.28Å
134	A	96.1	Very high	91.6	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.008	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-36.3	174.3	0	0	0	0	0	111.7	V36 L38 S130 A131 Y137 I138 L153	V36-A134 HydrophobicContact CG1-CB 4.4Å; L38-A134 HydrophobicContact CD1-CB 4.44Å; L38-A134 HydrophobicContact CD2-CB 4.31Å; S130-A134 PolarHBondContact O-N 3.44Å; A131-A134 PolarHBondContact O-N 3.14Å; A134-Y137 WeakPolarHBondContact O-CB 3.18Å; A134-Y137 PolarHBondContact O-N 3.37Å; A134-I138 WeakPolarHBondContact O-CD1 3.47Å; A134-I138 VanDerWaalsContact O-CG1 3.32Å; A134-I138 WeakPolarHBondContact O-CG1 3.31Å; A134-I138 PolarHBondContact O-N 3.32Å; A134-I138 VanDerWaalsContact O-N 3.07Å; A134-L153 HydrophobicContact CB-CD1 4.07Å; A134-L153 HydrophobicContact CB-CD2 4.03Å
135	A	96.3	Very high	92.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-66.6	-43.9	175.5	0	0	0	0	0	111	A131 T132 L133 Y137 I138 I139 L153 L170	A131-A135 WeakPolarHBondContact O-CB 3.44Å; A131-A135 PolarHBondContact O-N 3.29Å; T132-A135 WeakPolarHBondContact O-CB 3.23Å; T132-A135 PolarHBondContact O-N 3.12Å; L133-A135 PolarHBondContact O-N 3.08Å; A135-Y137 VanDerWaalsContact C-N 3.27Å; A135-Y137 PolarHBondContact O-N 3.34Å; A135-I138 PolarHBondContact O-N 2.99Å; A135-I139 VanDerWaalsContact O-CG1 3.31Å; A135-I139 WeakPolarHBondContact O-CG1 3.47Å; A135-I139 PolarHBondContact O-N 3.07Å; A135-L153 HydrophobicContact CB-CD1 3.68Å; A135-L170 HydrophobicContact CB-CD1 3.66Å; A135-L170 HydrophobicContact CB-CD2 3.92Å; A135-L170 HydrophobicContact CB-CG 4.46Å
136	A	96.6	Very high	93.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-38.7	175	0	0	0	0	0	112	L102 V106 T132 L133 I139 R140 L170 Y173	L102-A136 HydrophobicContact CB-CB 4.46Å; L102-A136 HydrophobicContact CD1-CB 4.46Å; L102-A136 HydrophobicContact CD2-CB 3.92Å; V106-A136 HydrophobicContact CG2-CB 3.86Å; T132-A136 PolarHBondContact O-N 3Å; L133-A136 WeakPolarHBondContact O-CB 3.42Å; L133-A136 PolarHBondContact O-N 3.22Å; A136-I139 PolarHBondContact O-N 2.97Å; A136-R140 WeakPolarHBondContact O-CB 3.43Å; A136-R140 PolarHBondContact O-N 3.26Å; A136-L170 HydrophobicContact CB-CD2 3.88Å; A136-Y173 HydrophobicContact CB-CD1 3.95Å; A136-Y173 HydrophobicContact CB-CE1 3.9Å; A136-Y173 HydrophobicContact CB-CG 4.43Å; A136-Y173 WeakPolarHBondContact O-CE1 3.33Å
137	Y	97.4	Very high	93.9	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-60.8	-48.2	173.6	171.6	-95.7	0	0	0	112.1	D33 T35 V36 V106 A109 L110 R113 L133 A134 A135 I139 R140 I141	D33-Y137 WeakPolarHBondContact OD2-CE1 3.34Å; D33-Y137 PolarHBondContact OD2-OH 2.91Å; T35-Y137 WeakPolarHBondContact CB-OH 3.37Å; V36-Y137 HydrophobicContact CB-CD1 4.21Å; V36-Y137 HydrophobicContact CB-CE1 4.07Å; V36-Y137 HydrophobicContact CG2-CD1 3.57Å; V36-Y137 HydrophobicContact CG2-CD2 4.01Å; V36-Y137 HydrophobicContact CG2-CE1 3.45Å; V36-Y137 VanDerWaalsContact CG2-CE1 3.45Å; V36-Y137 HydrophobicContact CG2-CE2 3.88Å; V36-Y137 HydrophobicContact CG2-CG 3.84Å; V106-Y137 HydrophobicContact CG1-CD2 4.44Å; A109-Y137 HydrophobicContact CB-CD2 3.71Å; A109-Y137 HydrophobicContact CB-CE2 3.85Å; L110-Y137 HydrophobicContact CD2-CE2 3.97Å; L110-Y137 HydrophobicContact CG-CE2 4.46Å; R113-Y137 WeakPolarHBondContact CD-OH 3.3Å; R113-Y137 PolarHBondContact NH1-OH 2.95Å; L133-Y137 PolarHBondContact O-N 3.28Å; A134-Y137 WeakPolarHBondContact O-CB 3.18Å; A134-Y137 PolarHBondContact O-N 3.37Å; A135-Y137 VanDerWaalsContact C-N 3.27Å; A135-Y137 PolarHBondContact O-N 3.34Å; Y137-I139 VanDerWaalsContact C-N 3.33Å; Y137-I139 PolarHBondContact O-N 3.21Å; Y137-R140 WeakPolarHBondContact O-CB 3.3Å; Y137-R140 PolarHBondContact O-N 2.88Å; Y137-R140 VanDerWaalsContact O-N 3.08Å; Y137-I141 HydrophobicContact CD1-CD1 4.3Å; Y137-I141 HydrophobicContact CE1-CD1 3.78Å; Y137-I141 HydrophobicContact CE1-CG2 4.44Å; Y137-I141 HydrophobicContact CE2-CG2 4.16Å; Y137-I141 WeakPolarHBondContact O-CG1 3.43Å; Y137-I141 PolarHBondContact O-N 3.28Å; Y137-I141 VanDerWaalsContact O-N 3.12Å
138	I	96.6	Very high	94.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-59	-45.7	177.3	-67.3	158.7	0	0	0	111	V32 A134 A135 R140 I141 H142 W144 A149 M152 L153	V32-I138 HydrophobicContact CG1-CD1 3.88Å; V32-I138 HydrophobicContact CG1-CG1 4.26Å; A134-I138 WeakPolarHBondContact O-CD1 3.47Å; A134-I138 VanDerWaalsContact O-CG1 3.32Å; A134-I138 WeakPolarHBondContact O-CG1 3.31Å; A134-I138 PolarHBondContact O-N 3.32Å; A134-I138 VanDerWaalsContact O-N 3.07Å; A135-I138 PolarHBondContact O-N 2.99Å; I138-R140 VanDerWaalsContact C-N 3.26Å; I138-R140 PolarHBondContact O-N 3.07Å; I138-I141 VanDerWaalsContact O-CG1 3.23Å; I138-I141 WeakPolarHBondContact O-CG1 3.39Å; I138-I141 PolarHBondContact O-N 3.2Å; I138-H142 PolarHBondContact O-N 2.88Å; I138-W144 HydrophobicContact CG2-CE3 3.67Å; I138-W144 HydrophobicContact CG2-CZ3 4.03Å; I138-A149 HydrophobicContact CB-CB 4.11Å; I138-A149 HydrophobicContact CG2-CB 3.78Å; I138-M152 HydrophobicContact CB-CE 4.4Å; I138-M152 HydrophobicContact CD1-CE 3.24Å; I138-M152 HydrophobicContact CD1-SD 4.02Å; I138-M152 HydrophobicContact CG1-CE 3.5Å; I138-M152 VanDerWaalsContact CG1-CE 3.5Å; I138-M152 HydrophobicContact CG2-CE 3.97Å; I138-L153 HydrophobicContact CD1-CD1 4.04Å; I138-L153 HydrophobicContact CD1-CD2 3.66Å; I138-L153 HydrophobicContact CD1-CG 3.49Å; I138-L153 VanDerWaalsContact CD1-CG 3.49Å
139	I	96.6	Very high	95	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-55.9	-45.1	175	-70.4	166.2	0	0	0	110.2	A135 A136 Y137 I141 C143 P146 A149 L170 Y173 H174 V177	A135-I139 VanDerWaalsContact O-CG1 3.31Å; A135-I139 WeakPolarHBondContact O-CG1 3.47Å; A135-I139 PolarHBondContact O-N 3.07Å; A136-I139 PolarHBondContact O-N 2.97Å; Y137-I139 VanDerWaalsContact C-N 3.33Å; Y137-I139 PolarHBondContact O-N 3.21Å; I139-I141 VanDerWaalsContact C-N 3.34Å; I139-I141 PolarHBondContact O-N 3.39Å; I139-C143 WeakPolarHBondContact O-CA 3.2Å; I139-C143 PolarHBondContact O-N 3.36Å; I139-P146 HydrophobicContact CD1-CB 4.29Å; I139-P146 HydrophobicContact CD1-CG 4.18Å; I139-A149 HydrophobicContact CD1-CB 4.37Å; I139-A149 HydrophobicContact CG1-CB 3.75Å; I139-L170 HydrophobicContact CD1-CB 4.04Å; I139-L170 HydrophobicContact CD1-CD2 4.01Å; I139-Y173 HydrophobicContact CG2-CD1 4.17Å; I139-Y173 HydrophobicContact CG2-CE1 4.36Å; I139-H174 HydrophobicContact CG2-CB 3.98Å; I139-V177 HydrophobicContact CG2-CG2 4Å
140	R	95.8	Very high	95.3	Very high	116 Å²	116	31.6 Å²	31.6	44%	0.438	15%	0.153	S	C	.	.	H	α-helix	trans	-64.8	-35.8	-177.3	-177.8	59.7	175	146.8	-0.2	113.4	V106 L110 A136 Y137 I138 Y173	V106-R140 HydrophobicContact CG1-CB 3.63Å; V106-R140 HydrophobicContact CG1-CG 3.62Å; L110-R140 HydrophobicContact CD1-CG 3.82Å; A136-R140 WeakPolarHBondContact O-CB 3.43Å; A136-R140 PolarHBondContact O-N 3.26Å; Y137-R140 WeakPolarHBondContact O-CB 3.3Å; Y137-R140 PolarHBondContact O-N 2.88Å; Y137-R140 VanDerWaalsContact O-N 3.08Å; I138-R140 VanDerWaalsContact C-N 3.26Å; I138-R140 PolarHBondContact O-N 3.07Å; R140-Y173 HydrophobicContact CB-CE1 4.41Å
141	I	95.4	Very high	95.5	Very high	41 Å²	41	38.5 Å²	38.5	21%	0.21	19%	0.185	C	C	.	.	H	α-helix	trans	-87	-24.9	-176.6	60.9	169.6	0	0	0	113.7	L110 Y137 I138 I139	L110-I141 HydrophobicContact CD2-CG2 3.74Å; Y137-I141 HydrophobicContact CD1-CD1 4.3Å; Y137-I141 HydrophobicContact CE1-CD1 3.78Å; Y137-I141 HydrophobicContact CE1-CG2 4.44Å; Y137-I141 HydrophobicContact CE2-CG2 4.16Å; Y137-I141 WeakPolarHBondContact O-CG1 3.43Å; Y137-I141 PolarHBondContact O-N 3.28Å; Y137-I141 VanDerWaalsContact O-N 3.12Å; I138-I141 VanDerWaalsContact O-CG1 3.23Å; I138-I141 WeakPolarHBondContact O-CG1 3.39Å; I138-I141 PolarHBondContact O-N 3.2Å; I139-I141 VanDerWaalsContact C-N 3.34Å; I139-I141 PolarHBondContact O-N 3.39Å
142	H	94.3	Very high	95.6	Very high	88 Å²	88	40.4 Å²	40.4	41%	0.407	20%	0.195	S	C	.	.	H	α-helix	trans	-119.5	-10.6	-174.2	-66	-53.4	0	0	0	114.6	I138 W144	I138-H142 PolarHBondContact O-N 2.88Å; H142-W144 HydrophobicContact CB-CB 4.46Å; H142-W144 HydrophobicContact CB-CD2 3.73Å; H142-W144 HydrophobicContact CB-CE3 4.47Å; H142-W144 HydrophobicContact CB-CG 3.69Å; H142-W144 HydrophobicContact CB-CZ2 4.35Å; H142-W144 AromaticContact CG-CE2 3.94Å; H142-W144 PolarHBondContact O-N 3.37Å
143	C	94.1	Very high	95.6	Very high	75 Å²	75	40.4 Å²	40.4	51%	0.507	20%	0.195	S	C	.	.			trans	52.6	31.9	-170	-61.1	0	0	0	0	113.3	I139 C178	I139-C143 WeakPolarHBondContact O-CA 3.2Å; I139-C143 PolarHBondContact O-N 3.36Å; C143-C178 VanDerWaalsContact CA-SG 3.6Å; C143-C178 HydrophobicContact CB-CB 4.21Å; C143-C178 PolarHBondContact SG-SG 2.92Å
144	W	95.3	Very high	95.4	Very high	96 Å²	96	42.2 Å²	42.2	36%	0.364	21%	0.21	S	C	.	.			trans	-73.9	154	175	-70.6	-8.9	0	0	0	111.5	I138 H142 E148 M152 H174	I138-W144 HydrophobicContact CG2-CE3 3.67Å; I138-W144 HydrophobicContact CG2-CZ3 4.03Å; H142-W144 HydrophobicContact CB-CB 4.46Å; H142-W144 HydrophobicContact CB-CD2 3.73Å; H142-W144 HydrophobicContact CB-CE3 4.47Å; H142-W144 HydrophobicContact CB-CG 3.69Å; H142-W144 HydrophobicContact CB-CZ2 4.35Å; H142-W144 AromaticContact CG-CE2 3.94Å; H142-W144 PolarHBondContact O-N 3.37Å; W144-E148 HydrophobicContact CB-CB 4.08Å; W144-M152 HydrophobicContact CZ3-CB 4.05Å; W144-M152 HydrophobicContact CZ3-CE 4.46Å; W144-M152 HydrophobicContact CZ3-CG 4.11Å; W144-H174 PolarHBondContact O-CD2 3.43Å
145	S	96.1	Very high	95.3	Very high	35 Å²	35	46.5 Å²	46.5	25%	0.245	24%	0.24	C	C	.	.			trans	-59.5	151	171.1	65.2	0	0	0	0	110.8	E147 E148 A149	S145-E147 PolarHBondContact O-N 2.85Å; S145-E148 WeakPolarHBondContact CB-OE2 3.48Å; S145-E148 PolarHBondContact N-OE2 3.27Å; S145-E148 PolarHBondContact O-N 3.48Å; S145-E148 VanDerWaalsContact O-N 3.14Å; S145-E148 WeakPolarHBondContact OG-CB 3.42Å; S145-E148 WeakPolarHBondContact OG-CG 3.44Å; S145-E148 PolarHBondContact OG-N 3.42Å; S145-E148 PolarHBondContact OG-OE2 3.17Å; S145-A149 PolarHBondContact O-N 2.92Å
146	P	95.8	Very high	95.1	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.032	25%	0.252	C	S	.	.	H	α-helix	trans	-52.5	-36.6	174.8	-30.5	38.9	0	0	0	113.7	I139 C150 L167 L170 R171 H174	I139-P146 HydrophobicContact CD1-CB 4.29Å; I139-P146 HydrophobicContact CD1-CG 4.18Å; P146-C150 WeakPolarHBondContact O-CB 3.25Å; P146-C150 PolarHBondContact O-N 3.19Å; P146-C150 PolarHBondContact O-SG 3.25Å; P146-L167 HydrophobicContact CB-CD1 3.71Å; P146-L170 HydrophobicContact CB-CB 3.83Å; P146-L170 HydrophobicContact CG-CB 4.23Å; P146-R171 HydrophobicContact CB-CG 4.21Å; P146-R171 HydrophobicContact CG-CB 4.35Å; P146-R171 HydrophobicContact CG-CG 3.75Å; P146-H174 HydrophobicContact CG-CB 4.02Å
147	E	95.4	Very high	94.8	Very high	80 Å²	80	48.7 Å²	48.7	37%	0.374	25%	0.253	S	S	.	.	H	α-helix	trans	-64.7	-47.7	177.8	-67.4	73.2	-164.6	0	0	111.7	S145 C150 Q151 R171	S145-E147 PolarHBondContact O-N 2.85Å; E147-C150 PolarHBondContact O-N 3.42Å; E147-Q151 WeakPolarHBondContact O-CB 3.3Å; E147-Q151 PolarHBondContact O-N 2.92Å; E147-R171 IonicContact OE1-CZ 3.31Å; E147-R171 VanDerWaalsContact OE1-CZ 3.31Å; E147-R171 IonicContact OE1-NE 3.03Å; E147-R171 PolarHBondContact OE1-NE 3.15Å; E147-R171 IonicContact OE1-NH2 2.72Å; E147-R171 PolarHBondContact OE1-NH2 3.09Å
148	E	96.1	Very high	94.4	Very high	98 Å²	98	53.7 Å²	53.7	46%	0.458	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-43.9	176.3	-73.6	164.3	139.3	0	0	111.8	W144 S145 C150 Q151 M152	W144-E148 HydrophobicContact CB-CB 4.08Å; S145-E148 WeakPolarHBondContact CB-OE2 3.48Å; S145-E148 PolarHBondContact N-OE2 3.27Å; S145-E148 PolarHBondContact O-N 3.48Å; S145-E148 VanDerWaalsContact O-N 3.14Å; S145-E148 WeakPolarHBondContact OG-CB 3.42Å; S145-E148 WeakPolarHBondContact OG-CG 3.44Å; S145-E148 PolarHBondContact OG-N 3.42Å; S145-E148 PolarHBondContact OG-OE2 3.17Å; E148-C150 VanDerWaalsContact C-N 3.33Å; E148-C150 PolarHBondContact O-N 2.74Å; E148-Q151 PolarHBondContact O-N 3.03Å; E148-M152 PolarHBondContact O-N 3.42Å
149	A	96	Very high	93.8	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.6	-41.8	176.9	0	0	0	0	0	111.9	I138 I139 S145 L153	I138-A149 HydrophobicContact CB-CB 4.11Å; I138-A149 HydrophobicContact CG2-CB 3.78Å; I139-A149 HydrophobicContact CD1-CB 4.37Å; I139-A149 HydrophobicContact CG1-CB 3.75Å; S145-A149 PolarHBondContact O-N 2.92Å; A149-L153 PolarHBondContact O-N 3.12Å; A149-L153 VanDerWaalsContact O-N 3.11Å
150	C	94.6	Very high	93.4	Very high	20 Å²	20	55.9 Å²	55.9	14%	0.135	30%	0.297	C	S	.	.	H	α-helix	trans	-66.4	-40	175.6	-69.5	0	0	0	0	112.1	P146 E147 E148 L153 A154	P146-C150 WeakPolarHBondContact O-CB 3.25Å; P146-C150 PolarHBondContact O-N 3.19Å; P146-C150 PolarHBondContact O-SG 3.25Å; E147-C150 PolarHBondContact O-N 3.42Å; E148-C150 VanDerWaalsContact C-N 3.33Å; E148-C150 PolarHBondContact O-N 2.74Å; C150-L153 PolarHBondContact O-N 3.46Å; C150-A154 WeakPolarHBondContact O-CB 3.35Å; C150-A154 PolarHBondContact O-N 3Å
151	Q	95	Very high	93	Very high	145 Å²	145	53.9 Å²	53.9	68%	0.678	29%	0.294	S	S	*	.	H	α-helix	trans	-64.8	-42.1	177.7	-175.7	175.5	-3.1	0	0	111.6	E147 E148 A154 S155	E147-Q151 WeakPolarHBondContact O-CB 3.3Å; E147-Q151 PolarHBondContact O-N 2.92Å; E148-Q151 PolarHBondContact O-N 3.03Å; Q151-A154 PolarHBondContact O-N 3.22Å; Q151-S155 PolarHBondContact O-N 2.97Å
152	M	94.9	Very high	92.6	Very high	40 Å²	40	53.8 Å²	53.8	20%	0.197	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-47.1	174.9	-175.6	-83	-97.6	0	0	110.7	V32 I138 W144 E148 A154 S155 V156	V32-M152 HydrophobicContact CG1-CE 3.87Å; V32-M152 HydrophobicContact CG1-SD 4.2Å; I138-M152 HydrophobicContact CB-CE 4.4Å; I138-M152 HydrophobicContact CD1-CE 3.24Å; I138-M152 HydrophobicContact CD1-SD 4.02Å; I138-M152 HydrophobicContact CG1-CE 3.5Å; I138-M152 VanDerWaalsContact CG1-CE 3.5Å; I138-M152 HydrophobicContact CG2-CE 3.97Å; W144-M152 HydrophobicContact CZ3-CB 4.05Å; W144-M152 HydrophobicContact CZ3-CE 4.46Å; W144-M152 HydrophobicContact CZ3-CG 4.11Å; E148-M152 PolarHBondContact O-N 3.42Å; M152-A154 VanDerWaalsContact C-N 3.31Å; M152-A154 PolarHBondContact O-N 3.05Å; M152-S155 WeakPolarHBondContact O-CB 3.21Å; M152-S155 PolarHBondContact O-N 3.27Å; M152-S155 VanDerWaalsContact O-N 3.07Å; M152-S155 PolarHBondContact O-OG 3.45Å; M152-V156 PolarHBondContact O-N 3.27Å; M152-V156 HydrophobicContact SD-CG2 4.06Å
153	L	93.6	Very high	92.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-60.2	-39.6	175.9	-78.2	176.6	0	0	0	113.2	V32 L38 A131 A134 A135 I138 A149 C150 S155 V156 R157	V32-L153 HydrophobicContact CB-CD2 4.44Å; V32-L153 HydrophobicContact CG1-CD2 3.75Å; V32-L153 HydrophobicContact CG2-CD2 3.74Å; L38-L153 HydrophobicContact CD2-CD2 4.19Å; A131-L153 VanDerWaalsContact O-CD1 3.31Å; A131-L153 WeakPolarHBondContact O-CD1 3.35Å; A134-L153 HydrophobicContact CB-CD1 4.07Å; A134-L153 HydrophobicContact CB-CD2 4.03Å; A135-L153 HydrophobicContact CB-CD1 3.68Å; I138-L153 HydrophobicContact CD1-CD1 4.04Å; I138-L153 HydrophobicContact CD1-CD2 3.66Å; I138-L153 HydrophobicContact CD1-CG 3.49Å; I138-L153 VanDerWaalsContact CD1-CG 3.49Å; A149-L153 PolarHBondContact O-N 3.12Å; A149-L153 VanDerWaalsContact O-N 3.11Å; C150-L153 PolarHBondContact O-N 3.46Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.09Å; L153-V156 PolarHBondContact O-N 3.21Å; L153-R157 PolarHBondContact O-N 2.81Å
154	A	92.4	Very high	92.1	Very high	41 Å²	41	58 Å²	58	34%	0.339	31%	0.31	S	S	.	.	H	α-helix	trans	-65	-31.9	176.7	0	0	0	0	0	112.1	C150 Q151 M152 R157 P158	C150-A154 WeakPolarHBondContact O-CB 3.35Å; C150-A154 PolarHBondContact O-N 3Å; Q151-A154 PolarHBondContact O-N 3.22Å; M152-A154 VanDerWaalsContact C-N 3.31Å; M152-A154 PolarHBondContact O-N 3.05Å; A154-R157 CarbonylContact O-C 3.4Å; A154-P158 WeakPolarHBondContact O-CA 3.49Å
155	S	93.1	Very high	91.8	Very high	91 Å²	91	55.8 Å²	55.8	64%	0.636	31%	0.309	S	S	*	.	H	α-helix	trans	-68	-35.4	174.7	79.7	0	0	0	0	112.5	Q151 M152 L153	Q151-S155 PolarHBondContact O-N 2.97Å; M152-S155 WeakPolarHBondContact O-CB 3.21Å; M152-S155 PolarHBondContact O-N 3.27Å; M152-S155 VanDerWaalsContact O-N 3.07Å; M152-S155 PolarHBondContact O-OG 3.45Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.09Å
156	V	92.1	Very high	91.5	Very high	42 Å²	42	54.1 Å²	54.1	26%	0.255	30%	0.297	S	S	.	.	H	α-helix	trans	-81.4	-37.7	178.4	173.6	0	0	0	0	112	N30 R31 M152 L153	N30-V156 HydrophobicContact CB-CG1 3.75Å; N30-V156 PolarHBondContact ND2-O 3.14Å; R31-V156 VanDerWaalsContact O-CG1 3.32Å; R31-V156 WeakPolarHBondContact O-CG1 3.49Å; M152-V156 PolarHBondContact O-N 3.27Å; M152-V156 HydrophobicContact SD-CG2 4.06Å; L153-V156 PolarHBondContact O-N 3.21Å
157	R	91	Very high	91.4	Very high	5 Å²	5	55.5 Å²	55.5	2%	0.019	30%	0.304	C	S	.	.			trans	-139.3	85.3	-176	-168.1	172.5	178.3	80.9	-6.8	110.2	R27 W28 N30 A125 G126 L153 A154 H159 V160	R27-R157 PolarHBondContact O-NH1 2.63Å; W28-R157 PolarHBondContact O-NH1 3.4Å; W28-R157 PolarHBondContact O-NH2 2.72Å; N30-R157 HydrophobicContact CB-CB 4.43Å; N30-R157 WeakPolarHBondContact OD1-CG 3.37Å; N30-R157 PolarHBondContact OD1-NH1 3.46Å; A125-R157 PolarHBondContact O-NH2 3.03Å; G126-R157 PolarHBondContact O-NE 2.96Å; L153-R157 PolarHBondContact O-N 2.81Å; A154-R157 CarbonylContact O-C 3.4Å; R157-H159 WeakPolarHBondContact CG-CE1 3.32Å; R157-H159 PolarHBondContact NE-NE2 2.92Å; R157-H159 PolarHBondContact NH1-CE1 2.84Å; R157-H159 PolarHBondContact NH1-NE2 3.32Å; R157-H159 PolarHBondContact NH2-NE2 3.4Å; R157-H159 PolarHBondContact O-N 2.83Å; R157-V160 HydrophobicContact CB-CG2 3.88Å; R157-V160 HydrophobicContact CG-CG2 3.94Å; R157-V160 WeakPolarHBondContact O-CB 3.35Å; R157-V160 WeakPolarHBondContact O-CG2 3.46Å; R157-V160 PolarHBondContact O-N 3.17Å
158	P	87.8	Confident	91.3	Very high	109 Å²	109	56.4 Å²	56.4	71%	0.708	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-19.4	-170.3	-28.2	35.8	0	0	0	116.5	A154	A154-P158 WeakPolarHBondContact O-CA 3.49Å
159	H	85.2	Confident	91.1	Very high	27 Å²	27	52.7 Å²	52.7	13%	0.125	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	7.5	178.9	59	-73.8	0	0	0	114.2	R127 R157	R127-H159 WeakPolarHBondContact CG-O 3.47Å; R127-H159 PolarHBondContact NE-O 3.36Å; R157-H159 WeakPolarHBondContact CG-CE1 3.32Å; R157-H159 PolarHBondContact NE-NE2 2.92Å; R157-H159 PolarHBondContact NH1-CE1 2.84Å; R157-H159 PolarHBondContact NH1-NE2 3.32Å; R157-H159 PolarHBondContact NH2-NE2 3.4Å; R157-H159 PolarHBondContact O-N 2.83Å
160	V	88.1	Confident	91	Very high	20 Å²	20	52.7 Å²	52.7	12%	0.121	29%	0.291	C	S	.	.			trans	-60.3	140.4	166.7	165.2	0	0	0	0	110.1	L38 A131 R157 I162	L38-V160 HydrophobicContact CD2-CG2 3.98Å; A131-V160 HydrophobicContact CB-CB 4.37Å; A131-V160 HydrophobicContact CB-CG1 3.57Å; A131-V160 HydrophobicContact CB-CG2 3.93Å; R157-V160 HydrophobicContact CB-CG2 3.88Å; R157-V160 HydrophobicContact CG-CG2 3.94Å; R157-V160 WeakPolarHBondContact O-CB 3.35Å; R157-V160 WeakPolarHBondContact O-CG2 3.46Å; R157-V160 PolarHBondContact O-N 3.17Å; V160-I162 HydrophobicContact CG1-CD1 4.1Å; V160-I162 HydrophobicContact CG1-CG1 3.97Å
161	I	86.8	Confident	91.1	Very high	73 Å²	73	56.8 Å²	56.8	37%	0.374	30%	0.304	S	S	.	.			trans	-133.2	108	177.6	-60	178.2	0	0	0	107.6	R127 C128 R163	R127-I161 CarbonylContact O-C 3.58Å; R127-I161 PolarHBondContact O-N 2.97Å; R127-I161 VanDerWaalsContact O-O 3.13Å; C128-I161 WeakPolarHBondContact CA-O 3.48Å; I161-R163 HydrophobicContact CG2-CG 4.22Å
162	I	87.8	Confident	91.1	Very high	39 Å²	39	56.9 Å²	56.9	20%	0.2	30%	0.298	C	S	.	.			trans	-102.8	116.5	168.6	-55.1	-57.9	0	0	0	106.7	A131 V160 Q166 L167 L170	A131-I162 HydrophobicContact CB-CD1 3.8Å; V160-I162 HydrophobicContact CG1-CD1 4.1Å; V160-I162 HydrophobicContact CG1-CG1 3.97Å; I162-Q166 HydrophobicContact CG2-CB 3.78Å; I162-L167 HydrophobicContact CG2-CB 4.2Å; I162-L170 HydrophobicContact CG2-CD1 4.22Å
163	R	88.8	Confident	91.1	Very high	160 Å²	160	55.1 Å²	55.1	60%	0.604	29%	0.289	S	S	*	.			trans	-88.3	169.8	177.6	-39	172.6	167.6	-113	-1.3	109.7	I161 S165 Q166 L167	I161-R163 HydrophobicContact CG2-CG 4.22Å; R163-S165 VanDerWaalsContact C-N 3.25Å; R163-S165 PolarHBondContact O-N 3.33Å; R163-Q166 VanDerWaalsContact N-OE1 3.1Å; R163-Q166 PolarHBondContact O-N 3.11Å; R163-Q166 PolarHBondContact O-OE1 2.94Å; R163-L167 PolarHBondContact O-N 3.26Å
164	S	88.9	Confident	91.2	Very high	91 Å²	91	57.4 Å²	57.4	64%	0.636	30%	0.3	S	S	*	.	H	α-helix	trans	-53.7	-40.2	-177.5	-45.6	0	0	0	0	113.2	L167 E168	S164-L167 PolarHBondContact O-N 2.95Å; S164-E168 WeakPolarHBondContact O-CG 3.45Å; S164-E168 PolarHBondContact O-N 2.92Å
165	S	88.6	Confident	91.3	Very high	50 Å²	50	61.8 Å²	61.8	35%	0.35	31%	0.313	S	S	.	.	H	α-helix	trans	-67.8	-37.9	178.2	55.5	0	0	0	0	113.4	V96 R163 M169	V96-S165 WeakPolarHBondContact CG2-OG 3.42Å; R163-S165 VanDerWaalsContact C-N 3.25Å; R163-S165 PolarHBondContact O-N 3.33Å; S165-M169 PolarHBondContact O-N 3.31Å; S165-M169 VanDerWaalsContact O-N 3.16Å
166	Q	90	Very high	91.3	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-67.3	-39.9	171.8	-71.3	87.6	5.9	0	0	111.3	T94 G95 V96 C128 T132 I162 R163 M169 L170	T94-Q166 PolarHBondContact O-NE2 3.41Å; G95-Q166 PolarHBondContact O-NE2 3.17Å; G95-Q166 VanDerWaalsContact O-NE2 3.12Å; V96-Q166 HydrophobicContact CG1-CG 4.5Å; V96-Q166 HydrophobicContact CG2-CG 4Å; C128-Q166 PolarHBondContact SG-NE2 2.84Å; T132-Q166 HydrophobicContact CG2-CB 4.03Å; T132-Q166 HydrophobicContact CG2-CG 4.27Å; T132-Q166 WeakPolarHBondContact OG1-CG 3.42Å; I162-Q166 HydrophobicContact CG2-CB 3.78Å; R163-Q166 VanDerWaalsContact N-OE1 3.1Å; R163-Q166 PolarHBondContact O-N 3.11Å; R163-Q166 PolarHBondContact O-OE1 2.94Å; Q166-M169 WeakPolarHBondContact O-CA 3.35Å; Q166-M169 WeakPolarHBondContact O-CB 3.32Å; Q166-M169 PolarHBondContact O-N 3.3Å; Q166-M169 VanDerWaalsContact O-N 3.11Å; Q166-L170 WeakPolarHBondContact O-CG 3.41Å; Q166-L170 PolarHBondContact O-N 2.84Å
167	L	92.9	Very high	91.3	Very high	34 Å²	34	62 Å²	62	18%	0.178	30%	0.303	C	S	.	.	H	α-helix	trans	-65.5	-42.5	178.7	-174.8	62	0	0	0	111.9	P146 I162 R163 S164 M169 L170 R171	P146-L167 HydrophobicContact CB-CD1 3.71Å; I162-L167 HydrophobicContact CG2-CB 4.2Å; R163-L167 PolarHBondContact O-N 3.26Å; S164-L167 PolarHBondContact O-N 2.95Å; L167-M169 PolarHBondContact O-N 3.44Å; L167-L170 PolarHBondContact O-N 3.16Å; L167-L170 VanDerWaalsContact O-N 3.17Å; L167-R171 WeakPolarHBondContact O-CG 3.48Å; L167-R171 PolarHBondContact O-N 3.42Å
168	E	92.9	Very high	91.2	Very high	99 Å²	99	63.3 Å²	63.3	46%	0.463	31%	0.312	S	S	.	.	H	α-helix	trans	-57.3	-38.2	170.6	-77.3	174.1	-158.3	0	0	111.5	S164 R171 R172	S164-E168 WeakPolarHBondContact O-CG 3.45Å; S164-E168 PolarHBondContact O-N 2.92Å; E168-R171 PolarHBondContact O-N 3.35Å; E168-R172 PolarHBondContact O-N 3.04Å; E168-R172 VanDerWaalsContact O-N 3.13Å
169	M	92.6	Very high	90.3	Very high	21 Å²	21	60.7 Å²	60.7	10%	0.103	31%	0.306	C	S	.	.	H	α-helix	trans	-65	-43.2	175.3	-94.8	-73.2	66.6	0	0	113.5	V96 L99 S165 Q166 L167 R171 R172 Y173	V96-M169 HydrophobicContact CG1-CB 4.18Å; V96-M169 HydrophobicContact CG1-CG 3.65Å; L99-M169 HydrophobicContact CD1-CE 3.83Å; L99-M169 HydrophobicContact CD2-CE 3.54Å; L99-M169 HydrophobicContact CD2-SD 3.98Å; L99-M169 HydrophobicContact CG-CE 3.47Å; L99-M169 VanDerWaalsContact CG-CE 3.47Å; L99-M169 HydrophobicContact CG-SD 3.71Å; S165-M169 PolarHBondContact O-N 3.31Å; S165-M169 VanDerWaalsContact O-N 3.16Å; Q166-M169 WeakPolarHBondContact O-CA 3.35Å; Q166-M169 WeakPolarHBondContact O-CB 3.32Å; Q166-M169 PolarHBondContact O-N 3.3Å; Q166-M169 VanDerWaalsContact O-N 3.11Å; L167-M169 PolarHBondContact O-N 3.44Å; M169-R171 VanDerWaalsContact C-N 3.27Å; M169-R171 PolarHBondContact O-N 3.3Å; M169-R172 HydrophobicContact CE-CB 3.59Å; M169-R172 VanDerWaalsContact CE-CD 3.47Å; M169-R172 HydrophobicContact CE-CG 3.79Å; M169-R172 PolarHBondContact O-N 2.95Å; M169-Y173 PolarHBondContact O-N 2.92Å
170	L	94.6	Very high	89	Confident	0 Å²	0	63 Å²	63	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-62.2	-35.7	175.1	-67	171	0	0	0	112	T132 A135 A136 I139 P146 I162 Q166 L167 Y173 H174	T132-L170 HydrophobicContact CG2-CD1 4.34Å; T132-L170 HydrophobicContact CG2-CD2 3.99Å; T132-L170 HydrophobicContact CG2-CG 4.04Å; T132-L170 WeakPolarHBondContact O-CD2 3.44Å; A135-L170 HydrophobicContact CB-CD1 3.66Å; A135-L170 HydrophobicContact CB-CD2 3.92Å; A135-L170 HydrophobicContact CB-CG 4.46Å; A136-L170 HydrophobicContact CB-CD2 3.88Å; I139-L170 HydrophobicContact CD1-CB 4.04Å; I139-L170 HydrophobicContact CD1-CD2 4.01Å; P146-L170 HydrophobicContact CB-CB 3.83Å; P146-L170 HydrophobicContact CG-CB 4.23Å; I162-L170 HydrophobicContact CG2-CD1 4.22Å; Q166-L170 WeakPolarHBondContact O-CG 3.41Å; Q166-L170 PolarHBondContact O-N 2.84Å; L167-L170 PolarHBondContact O-N 3.16Å; L167-L170 VanDerWaalsContact O-N 3.17Å; L170-Y173 PolarHBondContact O-N 3.26Å; L170-H174 VanDerWaalsContact O-CB 3.32Å; L170-H174 WeakPolarHBondContact O-CB 3.48Å; L170-H174 PolarHBondContact O-N 3.16Å
171	R	95.6	Very high	87.2	Confident	105 Å²	105	65.4 Å²	65.4	40%	0.396	37%	0.365	S	S	.	.	H	α-helix	trans	-62.9	-45.6	174.1	-72	175.9	-172.3	145.8	-1.7	112.5	P146 E147 L167 E168 M169 Y173 H174 Q175	P146-R171 HydrophobicContact CB-CG 4.21Å; P146-R171 HydrophobicContact CG-CB 4.35Å; P146-R171 HydrophobicContact CG-CG 3.75Å; E147-R171 IonicContact OE1-CZ 3.31Å; E147-R171 VanDerWaalsContact OE1-CZ 3.31Å; E147-R171 IonicContact OE1-NE 3.03Å; E147-R171 PolarHBondContact OE1-NE 3.15Å; E147-R171 IonicContact OE1-NH2 2.72Å; E147-R171 PolarHBondContact OE1-NH2 3.09Å; L167-R171 WeakPolarHBondContact O-CG 3.48Å; L167-R171 PolarHBondContact O-N 3.42Å; E168-R171 PolarHBondContact O-N 3.35Å; M169-R171 VanDerWaalsContact C-N 3.27Å; M169-R171 PolarHBondContact O-N 3.3Å; R171-Y173 VanDerWaalsContact C-N 3.33Å; R171-H174 PolarHBondContact O-N 2.85Å; R171-Q175 WeakPolarHBondContact O-CG 3.32Å; R171-Q175 PolarHBondContact O-N 3.34Å
172	R	94.6	Very high	85	Confident	148 Å²	148	67.1 Å²	67.1	56%	0.558	38%	0.384	S	S	*	.	H	α-helix	trans	-65.9	-38.7	176	-56.3	-168.7	-162.4	165.8	-3.1	111.4	L99 E168 M169 Q175 Q176	L99-R172 HydrophobicContact CD1-CB 4.34Å; L99-R172 HydrophobicContact CD2-CB 4.31Å; E168-R172 PolarHBondContact O-N 3.04Å; E168-R172 VanDerWaalsContact O-N 3.13Å; M169-R172 HydrophobicContact CE-CB 3.59Å; M169-R172 VanDerWaalsContact CE-CD 3.47Å; M169-R172 HydrophobicContact CE-CG 3.79Å; M169-R172 PolarHBondContact O-N 2.95Å; R172-Q175 PolarHBondContact O-N 3.02Å; R172-Q176 PolarHBondContact O-N 3.03Å
173	Y	95.1	Very high	82.6	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.008	43%	0.434	C	S	.	.	H	α-helix	trans	-60.4	-50.7	175	-176.6	-97.4	0	0	0	111.2	L99 L102 H103 V106 A136 I139 R140 M169 L170 R171 Q175 Q176 V177	L99-Y173 HydrophobicContact CD2-CD2 4.33Å; L102-Y173 HydrophobicContact CB-CD2 3.93Å; L102-Y173 HydrophobicContact CB-CE2 4.09Å; L102-Y173 HydrophobicContact CD1-CD2 4.37Å; L102-Y173 HydrophobicContact CD1-CG 4.45Å; H103-Y173 AromaticContact CE1-CD2 3.98Å; H103-Y173 AromaticContact CE1-CE2 3.48Å; H103-Y173 VanDerWaalsContact CE1-CE2 3.48Å; H103-Y173 WeakPolarHBondContact CE1-CE2 3.43Å; H103-Y173 AromaticContact CG-CE2 3.8Å; H103-Y173 AromaticContact ND1-CE2 3.42Å; H103-Y173 WeakPolarHBondContact ND1-CE2 3.38Å; H103-Y173 AromaticContact NE2-CD2 3.96Å; H103-Y173 AromaticContact NE2-CE2 3.84Å; V106-Y173 WeakPolarHBondContact CG1-OH 3.27Å; A136-Y173 HydrophobicContact CB-CD1 3.95Å; A136-Y173 HydrophobicContact CB-CE1 3.9Å; A136-Y173 HydrophobicContact CB-CG 4.43Å; A136-Y173 WeakPolarHBondContact O-CE1 3.33Å; I139-Y173 HydrophobicContact CG2-CD1 4.17Å; I139-Y173 HydrophobicContact CG2-CE1 4.36Å; R140-Y173 HydrophobicContact CB-CE1 4.41Å; M169-Y173 PolarHBondContact O-N 2.92Å; L170-Y173 PolarHBondContact O-N 3.26Å; R171-Y173 VanDerWaalsContact C-N 3.33Å; Y173-Q175 VanDerWaalsContact C-N 3.32Å; Y173-Q175 PolarHBondContact O-N 3.35Å; Y173-Q176 PolarHBondContact O-N 3.42Å; Y173-V177 HydrophobicContact CD1-CG2 3.92Å; Y173-V177 HydrophobicContact CE1-CB 4.47Å; Y173-V177 HydrophobicContact CE1-CG1 3.98Å; Y173-V177 HydrophobicContact CE1-CG2 3.69Å; Y173-V177 HydrophobicContact CE2-CG1 4.02Å; Y173-V177 VanDerWaalsContact O-CG2 3.28Å; Y173-V177 WeakPolarHBondContact O-CG2 3.48Å; Y173-V177 PolarHBondContact O-N 2.92Å
174	H	96.3	Very high	82.3	Confident	48 Å²	48	72.8 Å²	72.8	22%	0.222	43%	0.426	C	S	.	.	H	α-helix	trans	-54.1	-45.7	176.2	175.8	-89.7	0	0	0	112.2	I139 W144 P146 L170 R171 Q176 V177 C178	I139-H174 HydrophobicContact CG2-CB 3.98Å; W144-H174 PolarHBondContact O-CD2 3.43Å; P146-H174 HydrophobicContact CG-CB 4.02Å; L170-H174 VanDerWaalsContact O-CB 3.32Å; L170-H174 WeakPolarHBondContact O-CB 3.48Å; L170-H174 PolarHBondContact O-N 3.16Å; R171-H174 PolarHBondContact O-N 2.85Å; H174-Q176 VanDerWaalsContact C-N 3.3Å; H174-Q176 PolarHBondContact O-N 3.34Å; H174-V177 PolarHBondContact O-N 3.2Å; H174-C178 WeakPolarHBondContact O-CA 3.39Å; H174-C178 VanDerWaalsContact O-CB 3.27Å; H174-C178 WeakPolarHBondContact O-CB 3.28Å; H174-C178 PolarHBondContact O-N 3.46Å
175	Q	94.1	Very high	82	Confident	133 Å²	133	71.8 Å²	71.8	62%	0.621	42%	0.415	S	S	*	.	H	α-helix	trans	-58.8	-39.4	176.2	-73.8	173.8	-12.9	0	0	112.6	R171 R172 Y173 G179	R171-Q175 WeakPolarHBondContact O-CG 3.32Å; R171-Q175 PolarHBondContact O-N 3.34Å; R172-Q175 PolarHBondContact O-N 3.02Å; Y173-Q175 VanDerWaalsContact C-N 3.32Å; Y173-Q175 PolarHBondContact O-N 3.35Å; Q175-G179 WeakPolarHBondContact O-CA 3.21Å; Q175-G179 PolarHBondContact O-N 3.41Å
176	Q	92.8	Very high	81.6	Confident	114 Å²	114	73 Å²	73	53%	0.533	42%	0.418	S	S	.	.	H	α-helix	trans	-71.5	-39.7	178.6	-71	-175.2	-8.8	0	0	113.2	H103 R172 Y173 H174	H103-Q176 PolarHBondContact NE2-OE1 3.13Å; R172-Q176 PolarHBondContact O-N 3.03Å; Y173-Q176 PolarHBondContact O-N 3.42Å; H174-Q176 VanDerWaalsContact C-N 3.3Å; H174-Q176 PolarHBondContact O-N 3.34Å
177	V	92.1	Very high	81.1	Confident	25 Å²	25	77.3 Å²	77.3	15%	0.152	44%	0.443	C	S	.	.	H	α-helix	trans	-92.9	-22.1	-172.6	-63.6	0	0	0	0	114.5	I139 Y173 H174	I139-V177 HydrophobicContact CG2-CG2 4Å; Y173-V177 HydrophobicContact CD1-CG2 3.92Å; Y173-V177 HydrophobicContact CE1-CB 4.47Å; Y173-V177 HydrophobicContact CE1-CG1 3.98Å; Y173-V177 HydrophobicContact CE1-CG2 3.69Å; Y173-V177 HydrophobicContact CE2-CG1 4.02Å; Y173-V177 VanDerWaalsContact O-CG2 3.28Å; Y173-V177 WeakPolarHBondContact O-CG2 3.48Å; Y173-V177 PolarHBondContact O-N 2.92Å; H174-V177 PolarHBondContact O-N 3.2Å
178	C	88.9	Confident	80.4	Confident	31 Å²	31	80 Å²	80	21%	0.209	46%	0.459	C	S	.	.	H	α-helix	trans	-119.7	-18.3	-176.1	-53	0	0	0	0	112.7	C143 H174 G180	C143-C178 VanDerWaalsContact CA-SG 3.6Å; C143-C178 HydrophobicContact CB-CB 4.21Å; C143-C178 PolarHBondContact SG-SG 2.92Å; H174-C178 WeakPolarHBondContact O-CA 3.39Å; H174-C178 VanDerWaalsContact O-CB 3.27Å; H174-C178 WeakPolarHBondContact O-CB 3.28Å; H174-C178 PolarHBondContact O-N 3.46Å; C178-G180 PolarHBondContact O-N 3.39Å
179	G	70.9	Confident	79.5	Confident	55 Å²	55	78.7 Å²	78.7	57%	0.567	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-2.1	-178.5	0	0	0	0	0	115.3	Q175 G181	Q175-G179 WeakPolarHBondContact O-CA 3.21Å; Q175-G179 PolarHBondContact O-N 3.41Å; G179-G181 VanDerWaalsContact C-N 3.27Å; G179-G181 PolarHBondContact O-N 3.19Å
180	G	57.1	Low	78.6	Confident	75 Å²	75	82.9 Å²	82.9	77%	0.773	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	9.4	177.9	0	0	0	0	0	115.4	C178 S182	C178-G180 PolarHBondContact O-N 3.39Å; G180-S182 VanDerWaalsContact C-N 3.32Å; G180-S182 PolarHBondContact O-N 3.05Å
181	G	49.3	Very low	77.4	Confident	70 Å²	70	89.2 Å²	89.2	72%	0.722	52%	0.522	S	S	*	.	S	Bend	trans	-87.2	21.3	-178.6	0	0	0	0	0	116	G179	G179-G181 VanDerWaalsContact C-N 3.27Å; G179-G181 PolarHBondContact O-N 3.19Å
182	S	42.1	Very low	75.8	Confident	110 Å²	110	87.9 Å²	87.9	77%	0.769	53%	0.532	S	S	*	.			trans	-148.6	75.7	176.2	-61.3	0	0	0	0	111.8	G180	G180-S182 VanDerWaalsContact C-N 3.32Å; G180-S182 PolarHBondContact O-N 3.05Å
183	I	37	Very low	74.1	Confident	244 Å²	244	82.5 Å²	82.5	100%	1.251	53%	0.53	S	S	*	.			trans	-145.6	0	143.9	-52.1	-177.1	0	0	0	107.5

Retrieved 183 of 183 residues in 573.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).