A0A087XQY2_POEFO Loading...

ORM1-like protein

Plays an essential role in the homeostatic regulation of sphingolipid de novo biosynthesis by modulating the activity of the serine palmitoyltransferase (SPT) in response to ceramide levels. When complexed to SPT, the binding of ceramides to its N-terminus stabilizes a conformation that block SPT substrate entry, hence preventing SPT catalytic activity. Through this mechanism, maintains ceramide levels at sufficient concentrations for the production of complex sphingolipids, but which prevents the accumulation of ceramides to levels that trigger apoptosis.

AlphaFold DB (A0A3B3TIB8), UniProt , Accession A0A087XQY2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 154 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.3	Very low	55.6	Low	247 Å²	247	121.3 Å²	121.3	100%	1.217	70%	0.7	S	S	*	*				0	108.5	0	-134.5	170.1	178.1	0	0	106.8	N3	M1-N3 PolarHBondContact O-N 3.08Å
2	M	47.7	Very low	57.9	Low	174 Å²	174	112.5 Å²	112.5	86%	0.857	65%	0.649	S	S	*	*			trans	-78.6	113.2	-178.7	-137.2	166.9	73	0	0	107.5	V4	M2-V4 VanDerWaalsContact C-N 3.26Å; M2-V4 HydrophobicContact CE-CG2 4.23Å; M2-V4 PolarHBondContact O-N 3.19Å
3	N	56.6	Low	59.8	Low	157 Å²	157	107.1 Å²	107.1	84%	0.84	62%	0.62	S	S	*	*			trans	-73.6	86.9	172.9	-170.2	43.6	0	0	0	107.5	M1 G5	M1-N3 PolarHBondContact O-N 3.08Å; N3-G5 VanDerWaalsContact C-N 3.35Å; N3-G5 PolarHBondContact O-N 3.37Å
4	V	56.3	Low	61.7	Low	106 Å²	106	100.6 Å²	100.6	64%	0.642	58%	0.582	S	S	*	*			trans	-69.8	99.2	173.5	-170.1	0	0	0	0	105.8	M2 V6	M2-V4 VanDerWaalsContact C-N 3.26Å; M2-V4 HydrophobicContact CE-CG2 4.23Å; M2-V4 PolarHBondContact O-N 3.19Å; V4-V6 PolarHBondContact O-N 3.48Å
5	G	48.4	Very low	63.2	Low	60 Å²	60	94.3 Å²	94.3	62%	0.619	55%	0.546	S	S	*	.			trans	-54.4	113.1	172.9	0	0	0	0	0	108.2	N3 A7	N3-G5 VanDerWaalsContact C-N 3.35Å; N3-G5 PolarHBondContact O-N 3.37Å; G5-A7 PolarHBondContact O-N 3.45Å
6	V	57.7	Low	64.5	Low	109 Å²	109	98.1 Å²	98.1	66%	0.661	55%	0.548	S	S	*	.			trans	-65.4	108.6	173.1	179.2	0	0	0	0	105.8	V4 H8	V4-V6 PolarHBondContact O-N 3.48Å; V6-H8 PolarHBondContact O-N 3.2Å
7	A	49.8	Very low	65.5	Low	87 Å²	87	96.4 Å²	96.4	72%	0.719	54%	0.541	S	S	*	.			trans	-62.6	105.7	167.4	0	0	0	0	0	106.6	G5 S9	G5-A7 PolarHBondContact O-N 3.45Å; A7-S9 PolarHBondContact O-N 2.95Å
8	H	52.5	Low	66.6	Low	179 Å²	179	91.8 Å²	91.8	83%	0.829	52%	0.515	S	S	*	.			trans	-69.7	85.7	168.4	-66.4	-74.1	0	0	0	107.3	V6 E10	V6-H8 PolarHBondContact O-N 3.2Å; H8-E10 PolarHBondContact O-N 3.32Å
9	S	60.7	Low	67.7	Low	99 Å²	99	91.3 Å²	91.3	69%	0.692	51%	0.51	S	S	*	.			trans	-63.6	132.1	166.5	53.3	0	0	0	0	108	A7 V11	A7-S9 PolarHBondContact O-N 2.95Å; S9-V11 PolarHBondContact O-N 3.24Å; S9-V11 VanDerWaalsContact O-N 3.12Å
10	E	64.8	Low	68.8	Low	53 Å²	53	89.3 Å²	89.3	25%	0.248	50%	0.503	C	S	.	.			trans	-51.3	116.6	168.2	-93.1	-85.5	-177.4	0	0	109.6	H8 N12 T15 R16 Y92	H8-E10 PolarHBondContact O-N 3.32Å; E10-N12 PolarHBondContact O-N 3.36Å; E10-N12 VanDerWaalsContact OE2-O 3.06Å; E10-T15 PolarHBondContact OE1-OG1 2.75Å; E10-T15 PolarHBondContact OE2-OG1 3.2Å; E10-R16 WeakPolarHBondContact OE1-CD 3.29Å; E10-R16 WeakPolarHBondContact OE1-CG 3.33Å; E10-Y92 PolarHBondContact OE1-OH 3.21Å
11	V	74.5	Confident	69.8	Low	63 Å²	63	95.4 Å²	95.4	38%	0.382	52%	0.518	S	S	.	.	S	Bend	trans	-72.5	-21.2	178	180	0	0	0	0	111.2	S9 E74 P76 D77	S9-V11 PolarHBondContact O-N 3.24Å; S9-V11 VanDerWaalsContact O-N 3.12Å; V11-E74 WeakPolarHBondContact O-CB 3.35Å; V11-E74 WeakPolarHBondContact O-CG 3.35Å; V11-P76 HydrophobicContact CG1-CB 3.92Å; V11-D77 HydrophobicContact CG1-CB 4.14Å
12	N	82.3	Confident	72.1	Confident	16 Å²	16	85.7 Å²	85.7	9%	0.086	48%	0.481	C	S	.	.			trans	-130.6	101.6	176.3	178.3	-9.3	0	0	0	109.7	E10 N14 T15 T71 Q89	E10-N12 PolarHBondContact O-N 3.36Å; E10-N12 VanDerWaalsContact OE2-O 3.06Å; N12-N14 PolarHBondContact O-N 3.19Å; N12-N14 VanDerWaalsContact O-N 3.15Å; N12-N14 WeakPolarHBondContact OD1-CA 3.28Å; N12-N14 WeakPolarHBondContact OD1-CB 3.44Å; N12-N14 PolarHBondContact OD1-N 2.9Å; N12-T15 HydrophobicContact CB-CG2 3.91Å; N12-T15 WeakPolarHBondContact O-CG2 3.34Å; N12-T15 PolarHBondContact O-N 3.34Å; N12-T15 PolarHBondContact O-OG1 3.33Å; N12-T71 HydrophobicContact CB-CG2 4.13Å; N12-T71 WeakPolarHBondContact ND2-CG2 3.37Å; N12-T71 WeakPolarHBondContact OD1-CG2 3.28Å; N12-Q89 PolarHBondContact ND2-OE1 3.03Å; N12-Q89 PolarHBondContact OD1-OE1 3.17Å
13	P	83.1	Confident	74.3	Confident	42 Å²	42	79.7 Å²	79.7	27%	0.273	45%	0.452	S	S	.	.	G	3₁₀ helix	trans	-63.5	-24.3	-178.7	24.9	-33.5	0	0	0	113.6	T15 R16 V17	P13-T15 PolarHBondContact O-N 3.46Å; P13-T15 VanDerWaalsContact O-N 3.14Å; P13-R16 PolarHBondContact O-N 3.16Å; P13-V17 HydrophobicContact CB-CG2 3.97Å; P13-V17 VanDerWaalsContact O-CB 3.31Å; P13-V17 WeakPolarHBondContact O-CB 3.46Å; P13-V17 WeakPolarHBondContact O-CG2 3.47Å; P13-V17 PolarHBondContact O-N 2.94Å
14	N	85.9	Confident	76.1	Confident	16 Å²	16	75.2 Å²	75.2	9%	0.086	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-64.8	-18.3	-179.5	-61.6	-23.1	0	0	0	113	N12 R16 G70 H86 Q89	N12-N14 PolarHBondContact O-N 3.19Å; N12-N14 VanDerWaalsContact O-N 3.15Å; N12-N14 WeakPolarHBondContact OD1-CA 3.28Å; N12-N14 WeakPolarHBondContact OD1-CB 3.44Å; N12-N14 PolarHBondContact OD1-N 2.9Å; N14-R16 VanDerWaalsContact C-N 3.35Å; N14-G70 PolarHBondContact ND2-O 3.08Å; N14-H86 VanDerWaalsContact CB-CE1 3.49Å; N14-H86 WeakPolarHBondContact CB-CE1 3.43Å; N14-H86 VanDerWaalsContact CG-ND1 3.26Å; N14-H86 PolarHBondContact ND2-ND1 3.47Å; N14-H86 PolarHBondContact OD1-CE1 2.99Å; N14-H86 PolarHBondContact OD1-ND1 3.48Å; N14-Q89 HydrophobicContact CB-CB 4.09Å; N14-Q89 PolarHBondContact ND2-OE1 3.43Å
15	T	84.4	Confident	77.9	Confident	6 Å²	6	75.3 Å²	75.3	4%	0.037	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-67.8	-34.3	177.7	62.7	0	0	0	0	111.8	E10 N12 P13 D91 Y92	E10-T15 PolarHBondContact OE1-OG1 2.75Å; E10-T15 PolarHBondContact OE2-OG1 3.2Å; N12-T15 HydrophobicContact CB-CG2 3.91Å; N12-T15 WeakPolarHBondContact O-CG2 3.34Å; N12-T15 PolarHBondContact O-N 3.34Å; N12-T15 PolarHBondContact O-OG1 3.33Å; P13-T15 PolarHBondContact O-N 3.46Å; P13-T15 VanDerWaalsContact O-N 3.14Å; T15-D91 WeakPolarHBondContact O-CA 3.36Å; T15-D91 PolarHBondContact O-N 3.02Å; T15-Y92 HydrophobicContact CG2-CD1 3.6Å; T15-Y92 HydrophobicContact CG2-CE1 3.78Å; T15-Y92 HydrophobicContact CG2-CG 4.19Å
16	R	84.1	Confident	80.2	Confident	155 Å²	155	77.1 Å²	77.1	59%	0.585	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.2	-20.2	-169.5	-71.8	-173.6	73.3	-166.5	2.6	115.4	E10 P13 N14 M18 N19 Y92	E10-R16 WeakPolarHBondContact OE1-CD 3.29Å; E10-R16 WeakPolarHBondContact OE1-CG 3.33Å; P13-R16 PolarHBondContact O-N 3.16Å; N14-R16 VanDerWaalsContact C-N 3.35Å; R16-M18 PolarHBondContact O-N 2.89Å; R16-M18 VanDerWaalsContact O-N 3.15Å; R16-N19 WeakPolarHBondContact O-CB 3.22Å; R16-N19 PolarHBondContact O-N 3.03Å; R16-Y92 HydrophobicContact CG-CE2 4.26Å
17	V	82.1	Confident	82	Confident	70 Å²	70	74 Å²	74	42%	0.424	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-50.6	-44.9	-177.1	159	0	0	0	0	111.1	P13 N19 S20 I23	P13-V17 HydrophobicContact CB-CG2 3.97Å; P13-V17 VanDerWaalsContact O-CB 3.31Å; P13-V17 WeakPolarHBondContact O-CB 3.46Å; P13-V17 WeakPolarHBondContact O-CG2 3.47Å; P13-V17 PolarHBondContact O-N 2.94Å; V17-N19 PolarHBondContact O-N 3.46Å; V17-S20 PolarHBondContact O-N 3.43Å; V17-S20 PolarHBondContact O-OG 3.38Å; V17-I23 HydrophobicContact CB-CD1 4.43Å; V17-I23 HydrophobicContact CG1-CD1 3.29Å; V17-I23 WeakPolarHBondContact O-CD1 3.37Å
18	M	85.5	Confident	84.2	Confident	14 Å²	14	72.4 Å²	72.4	7%	0.069	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-77.1	-0	-176.7	-38.5	-151.4	98.5	0	0	115.6	R16 S20 W24 F64 M65 H86 L90 F103	R16-M18 PolarHBondContact O-N 2.89Å; R16-M18 VanDerWaalsContact O-N 3.15Å; M18-S20 VanDerWaalsContact C-N 3.31Å; M18-W24 PolarHBondContact O-NE1 2.83Å; M18-F64 HydrophobicContact CE-CD1 4.27Å; M18-F64 HydrophobicContact CE-CE1 3.3Å; M18-F64 HydrophobicContact CE-CZ 3.8Å; M18-F64 HydrophobicContact SD-CE1 3.93Å; M18-M65 HydrophobicContact CE-CE 3.56Å; M18-M65 HydrophobicContact SD-CE 3.3Å; M18-M65 WeakPolarHBondContact SD-CE 3.11Å; M18-M65 HydrophobicContact SD-SD 4.07Å; M18-H86 VanDerWaalsContact SD-CD2 3.56Å; M18-H86 PolarHBondContact SD-NE2 2.92Å; M18-H86 VanDerWaalsContact SD-NE2 3.36Å; M18-L90 HydrophobicContact CB-CD1 3.69Å; M18-L90 HydrophobicContact CG-CD1 3.89Å; M18-L90 HydrophobicContact SD-CD1 4.47Å; M18-F103 HydrophobicContact CB-CE2 3.67Å; M18-F103 HydrophobicContact CB-CZ 4.12Å; M18-F103 HydrophobicContact CE-CE1 4.39Å; M18-F103 HydrophobicContact CE-CE2 4.3Å; M18-F103 HydrophobicContact CE-CZ 3.83Å; M18-F103 HydrophobicContact CG-CE2 4.41Å; M18-F103 HydrophobicContact SD-CD2 4.42Å; M18-F103 HydrophobicContact SD-CE2 3.79Å; M18-F103 HydrophobicContact SD-CZ 3.95Å
19	N	86.7	Confident	86.4	Confident	81 Å²	81	68.9 Å²	68.9	43%	0.433	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-81	-15.1	176.1	-159.4	-67.4	0	0	0	112.1	R16 V17 D91 S99	R16-N19 WeakPolarHBondContact O-CB 3.22Å; R16-N19 PolarHBondContact O-N 3.03Å; V17-N19 PolarHBondContact O-N 3.46Å; N19-D91 PolarHBondContact ND2-OD1 3.47Å; N19-D91 VanDerWaalsContact ND2-OD1 3.14Å; N19-S99 WeakPolarHBondContact CA-OG 3.35Å; N19-S99 PolarHBondContact ND2-OG 2.85Å
20	S	89.6	Confident	88.2	Confident	52 Å²	52	66.1 Å²	66.1	36%	0.364	36%	0.357	S	S	.	.	S	Bend	trans	-72	136.6	-177.4	70.9	0	0	0	0	112.9	V17 M18 G22 I23 W24	V17-S20 PolarHBondContact O-N 3.43Å; V17-S20 PolarHBondContact O-OG 3.38Å; M18-S20 VanDerWaalsContact C-N 3.31Å; S20-G22 PolarHBondContact O-N 3.02Å; S20-I23 PolarHBondContact O-N 2.93Å; S20-I23 VanDerWaalsContact O-N 3.14Å; S20-I23 WeakPolarHBondContact OG-CB 3.24Å; S20-I23 WeakPolarHBondContact OG-CG1 3.21Å; S20-I23 PolarHBondContact OG-N 3.16Å; S20-W24 PolarHBondContact O-N 3.24Å
21	R	89.2	Confident	89.8	Confident	218 Å²	218	65 Å²	65	82%	0.823	35%	0.353	S	S	*	.	H	α-helix	trans	-59.6	-31.4	173.7	-64.9	-175.4	-177.4	-177.7	0.7	112.6	W24 L25	R21-W24 PolarHBondContact O-N 3.01Å; R21-L25 PolarHBondContact O-N 3Å
22	G	92.7	Very high	90.9	Very high	42 Å²	42	63.5 Å²	63.5	43%	0.433	35%	0.351	S	S	.	.	H	α-helix	trans	-59.1	-46.8	174.9	0	0	0	0	0	111.7	S20 W24 L25 T26	S20-G22 PolarHBondContact O-N 3.02Å; G22-W24 VanDerWaalsContact C-N 3.33Å; G22-W24 PolarHBondContact O-N 3.12Å; G22-L25 PolarHBondContact O-N 2.99Å; G22-T26 PolarHBondContact O-N 3.07Å; G22-T26 PolarHBondContact O-OG1 3.33Å; G22-T26 VanDerWaalsContact O-OG1 3.05Å
23	I	92.8	Very high	91.7	Very high	49 Å²	49	66.9 Å²	66.9	25%	0.251	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-40.1	176.9	-77.4	176.7	0	0	0	111.7	V17 S20 L25 T26 Y27 F103	V17-I23 HydrophobicContact CB-CD1 4.43Å; V17-I23 HydrophobicContact CG1-CD1 3.29Å; V17-I23 WeakPolarHBondContact O-CD1 3.37Å; S20-I23 PolarHBondContact O-N 2.93Å; S20-I23 VanDerWaalsContact O-N 3.14Å; S20-I23 WeakPolarHBondContact OG-CB 3.24Å; S20-I23 WeakPolarHBondContact OG-CG1 3.21Å; S20-I23 PolarHBondContact OG-N 3.16Å; I23-L25 VanDerWaalsContact C-N 3.32Å; I23-L25 PolarHBondContact O-N 3.41Å; I23-T26 PolarHBondContact O-N 2.99Å; I23-Y27 VanDerWaalsContact O-CB 3.23Å; I23-Y27 WeakPolarHBondContact O-CB 3.31Å; I23-Y27 PolarHBondContact O-N 3.45Å; I23-F103 HydrophobicContact CG2-CZ 4.36Å
24	W	94.3	Very high	92.4	Very high	62 Å²	62	67 Å²	67	24%	0.235	37%	0.37	C	S	.	.	H	α-helix	trans	-64.2	-40.8	178.9	-63.1	7.4	0	0	0	111.6	M18 S20 R21 G22 A28 F102	M18-W24 PolarHBondContact O-NE1 2.83Å; S20-W24 PolarHBondContact O-N 3.24Å; R21-W24 PolarHBondContact O-N 3.01Å; G22-W24 VanDerWaalsContact C-N 3.33Å; G22-W24 PolarHBondContact O-N 3.12Å; W24-A28 PolarHBondContact O-N 3.45Å; W24-F102 HydrophobicContact CB-CE1 4Å; W24-F102 HydrophobicContact CB-CE2 4.05Å; W24-F102 HydrophobicContact CB-CZ 3.69Å; W24-F102 AromaticContact CD1-CD1 3.97Å; W24-F102 HydrophobicContact CD2-CB 4.46Å; W24-F102 HydrophobicContact CD2-CD1 4.22Å; W24-F102 HydrophobicContact CD2-CD2 4.02Å; W24-F102 HydrophobicContact CD2-CE1 4.48Å; W24-F102 HydrophobicContact CD2-CE2 4.29Å; W24-F102 AromaticContact CD2-CG 3.97Å; W24-F102 HydrophobicContact CD2-CG 3.97Å; W24-F102 AromaticContact CE3-CD2 3.94Å; W24-F102 HydrophobicContact CE3-CD2 3.94Å; W24-F102 HydrophobicContact CE3-CE2 4.29Å; W24-F102 HydrophobicContact CE3-CG 4.28Å; W24-F102 HydrophobicContact CG-CD1 4.02Å; W24-F102 HydrophobicContact CG-CD2 4.33Å; W24-F102 AromaticContact CG-CE1 3.9Å; W24-F102 HydrophobicContact CG-CE1 3.9Å; W24-F102 HydrophobicContact CG-CE2 4.21Å; W24-F102 HydrophobicContact CG-CG 4.23Å; W24-F102 AromaticContact CG-CZ 3.99Å; W24-F102 HydrophobicContact CG-CZ 3.99Å; W24-F102 HydrophobicContact CZ2-CB 4.28Å; W24-F102 HydrophobicContact CZ3-CD2 4.48Å
25	L	95.8	Very high	93	Very high	109 Å²	109	67.6 Å²	67.6	57%	0.571	37%	0.372	S	S	*	.	H	α-helix	trans	-65	-49.8	175	178.8	61.7	0	0	0	111.3	R21 G22 I23 Y27 A28 L29	R21-L25 PolarHBondContact O-N 3Å; G22-L25 PolarHBondContact O-N 2.99Å; I23-L25 VanDerWaalsContact C-N 3.32Å; I23-L25 PolarHBondContact O-N 3.41Å; L25-Y27 VanDerWaalsContact C-N 3.27Å; L25-Y27 PolarHBondContact O-N 2.86Å; L25-A28 PolarHBondContact O-N 2.83Å; L25-A28 VanDerWaalsContact O-N 3.16Å; L25-L29 HydrophobicContact CD1-CD1 4.18Å; L25-L29 HydrophobicContact CD1-CG 4.18Å; L25-L29 HydrophobicContact CG-CD1 4.01Å; L25-L29 HydrophobicContact CG-CG 4.42Å; L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 3.46Å
26	T	95.3	Very high	93.7	Very high	97 Å²	97	72.4 Å²	72.4	60%	0.595	40%	0.397	S	S	*	.	H	α-helix	trans	-59	-40.2	178.2	-59.9	0	0	0	0	111.5	G22 I23 G30	G22-T26 PolarHBondContact O-N 3.07Å; G22-T26 PolarHBondContact O-OG1 3.33Å; G22-T26 VanDerWaalsContact O-OG1 3.05Å; I23-T26 PolarHBondContact O-N 2.99Å; T26-G30 PolarHBondContact O-N 3.39Å
27	Y	96.1	Very high	94.4	Very high	43 Å²	43	69.2 Å²	69.2	17%	0.169	39%	0.394	C	S	.	.	H	α-helix	trans	-60.6	-50.2	173.9	164.5	-91.6	0	0	0	111.8	I23 L25 L29 G30 V31 H57 M61 F102 F103 S106	I23-Y27 VanDerWaalsContact O-CB 3.23Å; I23-Y27 WeakPolarHBondContact O-CB 3.31Å; I23-Y27 PolarHBondContact O-N 3.45Å; L25-Y27 VanDerWaalsContact C-N 3.27Å; L25-Y27 PolarHBondContact O-N 2.86Å; Y27-L29 VanDerWaalsContact C-N 3.34Å; Y27-L29 PolarHBondContact O-N 2.84Å; Y27-G30 PolarHBondContact O-N 3.47Å; Y27-G30 VanDerWaalsContact O-N 3.14Å; Y27-V31 HydrophobicContact CE1-CG2 4.49Å; Y27-V31 HydrophobicContact CE2-CG2 4.26Å; Y27-V31 PolarHBondContact O-N 3.46Å; Y27-H57 AromaticContact CE2-NE2 3.45Å; Y27-H57 WeakPolarHBondContact CE2-NE2 3.35Å; Y27-H57 AromaticContact CZ-NE2 3.37Å; Y27-H57 PolarHBondContact OH-CE1 3.34Å; Y27-H57 VanDerWaalsContact OH-CE1 3.24Å; Y27-H57 PolarHBondContact OH-NE2 3.4Å; Y27-M61 HydrophobicContact CE2-SD 3.88Å; Y27-F102 AromaticContact CD1-CE1 3.54Å; Y27-F102 HydrophobicContact CD1-CE1 3.54Å; Y27-F102 AromaticContact CD1-CZ 3.56Å; Y27-F102 HydrophobicContact CD1-CZ 3.56Å; Y27-F102 AromaticContact CE1-CE1 3.86Å; Y27-F102 HydrophobicContact CE1-CE1 3.86Å; Y27-F102 AromaticContact CE1-CZ 3.91Å; Y27-F102 HydrophobicContact CE1-CZ 3.91Å; Y27-F102 HydrophobicContact CG-CE1 4.21Å; Y27-F103 HydrophobicContact CD2-CE1 4.22Å; Y27-F103 HydrophobicContact CG-CE1 4.37Å; Y27-S106 WeakPolarHBondContact OH-CB 3.43Å
28	A	96.8	Very high	95.1	Very high	55 Å²	55	66.5 Å²	66.5	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-61.9	-42.4	179.7	0	0	0	0	0	111.8	W24 L25 V31 G32	W24-A28 PolarHBondContact O-N 3.45Å; L25-A28 PolarHBondContact O-N 2.83Å; L25-A28 VanDerWaalsContact O-N 3.16Å; A28-V31 PolarHBondContact O-N 3.2Å; A28-G32 PolarHBondContact O-N 3.43Å
29	L	98	Very high	95.7	Very high	104 Å²	104	69.8 Å²	69.8	55%	0.545	39%	0.394	S	S	.	.	H	α-helix	trans	-62.5	-41.7	173.7	-69.9	174.6	0	0	0	111.6	L25 Y27 V31 G32 V33	L25-L29 HydrophobicContact CD1-CD1 4.18Å; L25-L29 HydrophobicContact CD1-CG 4.18Å; L25-L29 HydrophobicContact CG-CD1 4.01Å; L25-L29 HydrophobicContact CG-CG 4.42Å; L25-L29 WeakPolarHBondContact O-CB 3.48Å; L25-L29 WeakPolarHBondContact O-CG 3.5Å; L25-L29 PolarHBondContact O-N 3.46Å; Y27-L29 VanDerWaalsContact C-N 3.34Å; Y27-L29 PolarHBondContact O-N 2.84Å; L29-V31 PolarHBondContact O-N 3.06Å; L29-G32 PolarHBondContact O-N 3.46Å; L29-G32 VanDerWaalsContact O-N 3.17Å; L29-V33 WeakPolarHBondContact O-CB 3.15Å; L29-V33 WeakPolarHBondContact O-CG2 3.43Å; L29-V33 PolarHBondContact O-N 3.04Å
30	G	98.1	Very high	96.2	Very high	42 Å²	42	70.2 Å²	70.2	43%	0.433	40%	0.404	S	S	.	.	H	α-helix	trans	-59.5	-43.4	177	0	0	0	0	0	112.7	T26 Y27 V33 L34	T26-G30 PolarHBondContact O-N 3.39Å; Y27-G30 PolarHBondContact O-N 3.47Å; Y27-G30 VanDerWaalsContact O-N 3.14Å; G30-V33 PolarHBondContact O-N 2.83Å; G30-L34 WeakPolarHBondContact O-CB 3.39Å; G30-L34 PolarHBondContact O-N 3.28Å
31	V	98.3	Very high	96.6	Very high	28 Å²	28	70.6 Å²	70.6	17%	0.17	40%	0.401	C	S	.	.	H	α-helix	trans	-64	-42.8	174	178.2	0	0	0	0	111.1	Y27 A28 L29 L34 H35 T53 L110	Y27-V31 HydrophobicContact CE1-CG2 4.49Å; Y27-V31 HydrophobicContact CE2-CG2 4.26Å; Y27-V31 PolarHBondContact O-N 3.46Å; A28-V31 PolarHBondContact O-N 3.2Å; L29-V31 PolarHBondContact O-N 3.06Å; V31-L34 PolarHBondContact O-N 2.67Å; V31-H35 PolarHBondContact O-N 3.33Å; V31-T53 HydrophobicContact CG1-CG2 4.38Å; V31-L110 HydrophobicContact CG1-CD1 4.38Å; V31-L110 HydrophobicContact CG1-CD2 4.21Å
32	G	98.3	Very high	96.8	Very high	32 Å²	32	65.5 Å²	65.5	33%	0.33	40%	0.397	S	S	.	.	H	α-helix	trans	-62.2	-44.8	176.8	0	0	0	0	0	113	A28 L29 H35 I36	A28-G32 PolarHBondContact O-N 3.43Å; L29-G32 PolarHBondContact O-N 3.46Å; L29-G32 VanDerWaalsContact O-N 3.17Å; G32-H35 WeakPolarHBondContact O-CB 3.34Å; G32-H35 PolarHBondContact O-N 3.23Å; G32-I36 WeakPolarHBondContact O-CG1 3.27Å; G32-I36 PolarHBondContact O-N 3.28Å
33	V	98.6	Very high	96.9	Very high	88 Å²	88	72.6 Å²	72.6	53%	0.533	42%	0.416	S	S	.	.	H	α-helix	trans	-63.1	-46	176.7	169.9	0	0	0	0	110.7	L29 G30 H35 I36 V37	L29-V33 WeakPolarHBondContact O-CB 3.15Å; L29-V33 WeakPolarHBondContact O-CG2 3.43Å; L29-V33 PolarHBondContact O-N 3.04Å; G30-V33 PolarHBondContact O-N 2.83Å; V33-H35 VanDerWaalsContact C-N 3.26Å; V33-H35 PolarHBondContact O-N 3.04Å; V33-I36 PolarHBondContact O-N 3.24Å; V33-V37 HydrophobicContact CG1-CG2 4.27Å; V33-V37 WeakPolarHBondContact O-CB 3.31Å; V33-V37 VanDerWaalsContact O-CG2 3.3Å; V33-V37 WeakPolarHBondContact O-CG2 3.33Å; V33-V37 PolarHBondContact O-N 2.96Å
34	L	98.4	Very high	97.1	Very high	45 Å²	45	74.1 Å²	74.1	24%	0.236	42%	0.421	C	S	.	.	H	α-helix	trans	-52.9	-47.5	173.6	170.4	64.6	0	0	0	110.9	G30 V31 V37 L38 T53 I56	G30-L34 WeakPolarHBondContact O-CB 3.39Å; G30-L34 PolarHBondContact O-N 3.28Å; V31-L34 PolarHBondContact O-N 2.67Å; L34-V37 PolarHBondContact O-N 3.38Å; L34-L38 HydrophobicContact CD1-CD1 3.98Å; L34-L38 HydrophobicContact CD1-CG 4.23Å; L34-L38 HydrophobicContact CG-CD1 4.11Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.04Å; L34-T53 HydrophobicContact CD2-CG2 4.43Å; L34-I56 HydrophobicContact CD1-CD1 4.42Å; L34-I56 HydrophobicContact CD1-CG2 4.05Å; L34-I56 HydrophobicContact CD2-CB 4.1Å; L34-I56 HydrophobicContact CD2-CG2 3.73Å
35	H	98.4	Very high	97.3	Very high	28 Å²	28	74 Å²	74	13%	0.13	43%	0.43	C	S	.	.	H	α-helix	trans	-62.3	-44.8	-180	-168.6	67.3	0	0	0	112.4	V31 G32 V33 L38 L39 W50 T53	V31-H35 PolarHBondContact O-N 3.33Å; G32-H35 WeakPolarHBondContact O-CB 3.34Å; G32-H35 PolarHBondContact O-N 3.23Å; V33-H35 VanDerWaalsContact C-N 3.26Å; V33-H35 PolarHBondContact O-N 3.04Å; H35-L38 PolarHBondContact O-N 3.46Å; H35-L39 WeakPolarHBondContact O-CG 3.49Å; H35-L39 PolarHBondContact O-N 2.8Å; H35-W50 AromaticContact CE1-CD2 3.53Å; H35-W50 AromaticContact CE1-CE2 3.47Å; H35-W50 VanDerWaalsContact CE1-CE2 3.47Å; H35-W50 AromaticContact CE1-CE3 3.94Å; H35-W50 AromaticContact CE1-CG 3.91Å; H35-W50 AromaticContact CE1-CZ2 3.85Å; H35-W50 AromaticContact CE1-NE1 3.77Å; H35-W50 AromaticContact NE2-CE2 3.58Å; H35-W50 AromaticContact NE2-CZ2 3.61Å; H35-W50 AromaticContact NE2-NE1 3.85Å; H35-T53 HydrophobicContact CB-CG2 4Å; H35-T53 PolarHBondContact ND1-OG1 3.22Å
36	I	98.4	Very high	97.3	Very high	107 Å²	107	72.4 Å²	72.4	55%	0.549	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-42.7	177.7	-68.6	166.3	0	0	0	111.3	G32 V33 L38 L39 S40	G32-I36 WeakPolarHBondContact O-CG1 3.27Å; G32-I36 PolarHBondContact O-N 3.28Å; V33-I36 PolarHBondContact O-N 3.24Å; I36-L38 VanDerWaalsContact C-N 3.32Å; I36-L38 PolarHBondContact O-N 3.27Å; I36-L39 PolarHBondContact O-N 3.25Å; I36-S40 PolarHBondContact O-N 3.43Å; I36-S40 PolarHBondContact O-OG 2.9Å
37	V	98.5	Very high	97.5	Very high	87 Å²	87	69.6 Å²	69.6	53%	0.527	41%	0.407	S	S	.	.	H	α-helix	trans	-59.7	-45.2	175.9	168.7	0	0	0	0	110.4	V33 L34 S40	V33-V37 HydrophobicContact CG1-CG2 4.27Å; V33-V37 WeakPolarHBondContact O-CB 3.31Å; V33-V37 VanDerWaalsContact O-CG2 3.3Å; V33-V37 WeakPolarHBondContact O-CG2 3.33Å; V33-V37 PolarHBondContact O-N 2.96Å; L34-V37 PolarHBondContact O-N 3.38Å; V37-S40 WeakPolarHBondContact O-CB 3.46Å; V37-S40 PolarHBondContact O-N 3.44Å
38	L	98.2	Very high	97.6	Very high	14 Å²	14	69.7 Å²	69.7	7%	0.073	41%	0.412	C	S	.	.	H	α-helix	trans	-65.9	-38.9	177.4	-69.5	170.4	0	0	0	112.7	L34 H35 I36 S40 I41 F44 V49 L52 T53 I56	L34-L38 HydrophobicContact CD1-CD1 3.98Å; L34-L38 HydrophobicContact CD1-CG 4.23Å; L34-L38 HydrophobicContact CG-CD1 4.11Å; L34-L38 WeakPolarHBondContact O-CG 3.43Å; L34-L38 PolarHBondContact O-N 3.04Å; H35-L38 PolarHBondContact O-N 3.46Å; I36-L38 VanDerWaalsContact C-N 3.32Å; I36-L38 PolarHBondContact O-N 3.27Å; L38-S40 PolarHBondContact O-N 2.87Å; L38-I41 HydrophobicContact CD2-CD1 4.24Å; L38-I41 WeakPolarHBondContact O-CB 3.43Å; L38-I41 PolarHBondContact O-N 2.91Å; L38-F44 HydrophobicContact CD2-CE2 4.27Å; L38-V49 HydrophobicContact CB-CB 4.5Å; L38-V49 HydrophobicContact CB-CG1 3.6Å; L38-V49 HydrophobicContact CB-CG2 4.45Å; L38-L52 HydrophobicContact CD1-CB 3.98Å; L38-L52 HydrophobicContact CD2-CD1 4.46Å; L38-T53 WeakPolarHBondContact CD1-OG1 3.34Å; L38-I56 HydrophobicContact CD1-CD1 4.21Å; L38-I56 HydrophobicContact CD2-CD1 4.34Å
39	L	98.1	Very high	97.6	Very high	82 Å²	82	67.1 Å²	67.1	43%	0.429	39%	0.391	S	S	.	.	H	α-helix	trans	-64.4	-25.5	175.4	-78.1	173.3	0	0	0	112.7	H35 I36 I41 V49	H35-L39 WeakPolarHBondContact O-CG 3.49Å; H35-L39 PolarHBondContact O-N 2.8Å; I36-L39 PolarHBondContact O-N 3.25Å; L39-I41 PolarHBondContact O-N 2.66Å; L39-V49 HydrophobicContact CB-CG1 4.48Å; L39-V49 HydrophobicContact CD2-CB 4.07Å; L39-V49 HydrophobicContact CD2-CG1 3.73Å; L39-V49 HydrophobicContact CD2-CG2 4.15Å; L39-V49 HydrophobicContact CG-CG1 3.69Å
40	S	97.3	Very high	97.7	Very high	90 Å²	90	63.6 Å²	63.6	63%	0.629	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-5.8	179.6	-56.4	0	0	0	0	113	I36 V37 L38	I36-S40 PolarHBondContact O-N 3.43Å; I36-S40 PolarHBondContact O-OG 2.9Å; V37-S40 WeakPolarHBondContact O-CB 3.46Å; V37-S40 PolarHBondContact O-N 3.44Å; L38-S40 PolarHBondContact O-N 2.87Å
41	I	97.4	Very high	97.7	Very high	60 Å²	60	62.1 Å²	62.1	31%	0.308	35%	0.353	S	S	.	.			trans	-86.5	116.9	179.6	-60	171.9	0	0	0	109.3	L38 L39 F43 F44	L38-I41 HydrophobicContact CD2-CD1 4.24Å; L38-I41 WeakPolarHBondContact O-CB 3.43Å; L38-I41 PolarHBondContact O-N 2.91Å; L39-I41 PolarHBondContact O-N 2.66Å; I41-F43 PolarHBondContact O-N 2.64Å; I41-F43 VanDerWaalsContact O-N 3.08Å; I41-F44 HydrophobicContact CB-CD2 3.81Å; I41-F44 HydrophobicContact CB-CE2 4.24Å; I41-F44 HydrophobicContact CB-CG 4.27Å; I41-F44 HydrophobicContact CD1-CD2 3.86Å; I41-F44 HydrophobicContact CD1-CE2 3.53Å; I41-F44 HydrophobicContact CD1-CZ 4.42Å; I41-F44 HydrophobicContact CG1-CD2 4.4Å; I41-F44 HydrophobicContact CG1-CE2 4.47Å; I41-F44 HydrophobicContact CG2-CD1 4.4Å; I41-F44 HydrophobicContact CG2-CD2 3.89Å; I41-F44 HydrophobicContact CG2-CE2 4.07Å; I41-F44 HydrophobicContact CG2-CG 4.07Å; I41-F44 HydrophobicContact CG2-CZ 4.4Å; I41-F44 PolarHBondContact O-N 3.34Å
42	P	93.4	Very high	97.7	Very high	112 Å²	112	63.3 Å²	63.3	73%	0.727	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-16.6	-166.4	25.3	-35.1	0	0	0	115.2
43	F	94.8	Very high	97.7	Very high	190 Å²	190	61.8 Å²	61.8	83%	0.833	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-1.6	-177.5	-51.3	-64.9	0	0	0	113.5	I41	I41-F43 PolarHBondContact O-N 2.64Å; I41-F43 VanDerWaalsContact O-N 3.08Å
44	F	96.9	Very high	97.7	Very high	81 Å²	81	57.6 Å²	57.6	36%	0.355	32%	0.317	S	S	.	.			trans	-95.5	128.1	178.8	-68.2	-15.6	0	0	0	111.6	L38 I41 V48 V49 L52	L38-F44 HydrophobicContact CD2-CE2 4.27Å; I41-F44 HydrophobicContact CB-CD2 3.81Å; I41-F44 HydrophobicContact CB-CE2 4.24Å; I41-F44 HydrophobicContact CB-CG 4.27Å; I41-F44 HydrophobicContact CD1-CD2 3.86Å; I41-F44 HydrophobicContact CD1-CE2 3.53Å; I41-F44 HydrophobicContact CD1-CZ 4.42Å; I41-F44 HydrophobicContact CG1-CD2 4.4Å; I41-F44 HydrophobicContact CG1-CE2 4.47Å; I41-F44 HydrophobicContact CG2-CD1 4.4Å; I41-F44 HydrophobicContact CG2-CD2 3.89Å; I41-F44 HydrophobicContact CG2-CE2 4.07Å; I41-F44 HydrophobicContact CG2-CG 4.07Å; I41-F44 HydrophobicContact CG2-CZ 4.4Å; I41-F44 PolarHBondContact O-N 3.34Å; F44-V48 HydrophobicContact CB-CG1 4.42Å; F44-V48 HydrophobicContact CD1-CG1 4.18Å; F44-V48 HydrophobicContact CG-CG1 4.26Å; F44-V49 HydrophobicContact CB-CG2 3.54Å; F44-V49 HydrophobicContact CD2-CG2 4.29Å; F44-V49 HydrophobicContact CG-CG2 4.4Å; F44-L52 HydrophobicContact CD2-CD1 3.81Å; F44-L52 HydrophobicContact CE1-CD1 4.37Å; F44-L52 HydrophobicContact CE2-CD1 3.41Å; F44-L52 VanDerWaalsContact CE2-CD1 3.41Å; F44-L52 HydrophobicContact CG-CD1 4.43Å; F44-L52 HydrophobicContact CZ-CD1 3.73Å
45	S	97.2	Very high	97.7	Very high	61 Å²	61	57.7 Å²	57.7	43%	0.427	32%	0.32	S	S	.	.			trans	-75.3	155.4	168.8	70.2	0	0	0	0	110.5	V48 V49	S45-V48 WeakPolarHBondContact O-CB 3.33Å; S45-V48 PolarHBondContact O-N 3.34Å; S45-V48 VanDerWaalsContact OG-CG2 3.28Å; S45-V48 WeakPolarHBondContact OG-CG2 3.46Å; S45-V49 WeakPolarHBondContact O-CG2 3.42Å; S45-V49 PolarHBondContact O-N 3.4Å
46	V	97.4	Very high	97.7	Very high	74 Å²	74	59.9 Å²	59.9	45%	0.448	33%	0.331	S	S	.	.	H	α-helix	trans	-53.1	-45.9	178.8	174.5	0	0	0	0	112.8	V48 V49 W50	V46-V48 VanDerWaalsContact C-N 3.33Å; V46-V48 PolarHBondContact O-N 3.13Å; V46-V49 PolarHBondContact O-N 2.88Å; V46-W50 VanDerWaalsContact O-CD1 3.27Å; V46-W50 PolarHBondContact O-N 2.93Å
47	P	98	Very high	97.7	Very high	38 Å²	38	55.4 Å²	55.4	25%	0.247	31%	0.308	C	S	.	.	H	α-helix	trans	-58.2	-40.5	174.8	-27.9	37.3	0	0	0	114.2	W50 T51 T118	P47-W50 PolarHBondContact O-N 3.38Å; P47-T51 PolarHBondContact O-N 2.9Å; P47-T51 PolarHBondContact O-OG1 3.22Å; P47-T118 HydrophobicContact CB-CG2 3.96Å; P47-T118 WeakPolarHBondContact O-CG2 3.35Å
48	V	98.2	Very high	97.7	Very high	46 Å²	46	51.2 Å²	51.2	28%	0.279	28%	0.283	S	S	.	.	H	α-helix	trans	-64.3	-45.2	177.3	169.8	0	0	0	0	110.1	F44 S45 V46 W50 T51 L52	F44-V48 HydrophobicContact CB-CG1 4.42Å; F44-V48 HydrophobicContact CD1-CG1 4.18Å; F44-V48 HydrophobicContact CG-CG1 4.26Å; S45-V48 WeakPolarHBondContact O-CB 3.33Å; S45-V48 PolarHBondContact O-N 3.34Å; S45-V48 VanDerWaalsContact OG-CG2 3.28Å; S45-V48 WeakPolarHBondContact OG-CG2 3.46Å; V46-V48 VanDerWaalsContact C-N 3.33Å; V46-V48 PolarHBondContact O-N 3.13Å; V48-W50 PolarHBondContact O-N 3.5Å; V48-T51 PolarHBondContact O-N 2.81Å; V48-L52 HydrophobicContact CG1-CD1 3.79Å; V48-L52 HydrophobicContact CG1-CG 4.19Å; V48-L52 WeakPolarHBondContact O-CB 3.49Å; V48-L52 WeakPolarHBondContact O-CG 3.36Å; V48-L52 PolarHBondContact O-N 3.45Å
49	V	98.6	Very high	97.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.6	-43.9	178.1	174.3	0	0	0	0	111.7	L38 L39 F44 S45 V46 T51 L52 T53	L38-V49 HydrophobicContact CB-CB 4.5Å; L38-V49 HydrophobicContact CB-CG1 3.6Å; L38-V49 HydrophobicContact CB-CG2 4.45Å; L39-V49 HydrophobicContact CB-CG1 4.48Å; L39-V49 HydrophobicContact CD2-CB 4.07Å; L39-V49 HydrophobicContact CD2-CG1 3.73Å; L39-V49 HydrophobicContact CD2-CG2 4.15Å; L39-V49 HydrophobicContact CG-CG1 3.69Å; F44-V49 HydrophobicContact CB-CG2 3.54Å; F44-V49 HydrophobicContact CD2-CG2 4.29Å; F44-V49 HydrophobicContact CG-CG2 4.4Å; S45-V49 WeakPolarHBondContact O-CG2 3.42Å; S45-V49 PolarHBondContact O-N 3.4Å; V46-V49 PolarHBondContact O-N 2.88Å; V49-T51 VanDerWaalsContact C-N 3.34Å; V49-T51 PolarHBondContact O-N 2.95Å; V49-L52 PolarHBondContact O-N 3.42Å; V49-T53 WeakPolarHBondContact O-CB 3.37Å; V49-T53 PolarHBondContact O-N 2.8Å; V49-T53 PolarHBondContact O-OG1 3.16Å
50	W	98.5	Very high	97.6	Very high	30 Å²	30	53.7 Å²	53.7	11%	0.114	31%	0.306	C	S	.	.	H	α-helix	trans	-61.7	-41.4	175.7	-84.8	104.2	0	0	0	112.8	H35 V46 P47 V48 T53 N54 L110 L113 A114 Y117	H35-W50 AromaticContact CE1-CD2 3.53Å; H35-W50 AromaticContact CE1-CE2 3.47Å; H35-W50 VanDerWaalsContact CE1-CE2 3.47Å; H35-W50 AromaticContact CE1-CE3 3.94Å; H35-W50 AromaticContact CE1-CG 3.91Å; H35-W50 AromaticContact CE1-CZ2 3.85Å; H35-W50 AromaticContact CE1-NE1 3.77Å; H35-W50 AromaticContact NE2-CE2 3.58Å; H35-W50 AromaticContact NE2-CZ2 3.61Å; H35-W50 AromaticContact NE2-NE1 3.85Å; V46-W50 VanDerWaalsContact O-CD1 3.27Å; V46-W50 PolarHBondContact O-N 2.93Å; P47-W50 PolarHBondContact O-N 3.38Å; V48-W50 PolarHBondContact O-N 3.5Å; W50-T53 PolarHBondContact O-N 3.37Å; W50-N54 WeakPolarHBondContact O-CB 3.06Å; W50-N54 PolarHBondContact O-N 3.3Å; W50-L110 HydrophobicContact CE3-CD1 4.4Å; W50-L110 HydrophobicContact CZ3-CD1 3.98Å; W50-L113 HydrophobicContact CE3-CB 4.13Å; W50-L113 HydrophobicContact CH2-CB 4.01Å; W50-L113 HydrophobicContact CH2-CD1 4.16Å; W50-L113 HydrophobicContact CZ3-CB 3.57Å; W50-L113 HydrophobicContact CZ3-CD1 4.1Å; W50-L113 HydrophobicContact CZ3-CG 4.45Å; W50-A114 HydrophobicContact CB-CB 4.25Å; W50-Y117 AromaticContact CD1-CG 3.65Å; W50-Y117 AromaticContact CD2-CD2 3.81Å; W50-Y117 HydrophobicContact CD2-CD2 3.81Å; W50-Y117 HydrophobicContact CD2-CG 4.21Å; W50-Y117 AromaticContact CE2-CD2 3.23Å; W50-Y117 AromaticContact CE2-CE2 3.71Å; W50-Y117 AromaticContact CE2-CG 3.65Å; W50-Y117 HydrophobicContact CE3-CD2 4.44Å; W50-Y117 HydrophobicContact CG-CD2 4.29Å; W50-Y117 HydrophobicContact CG-CG 4.21Å; W50-Y117 HydrophobicContact CH2-CD2 4.12Å; W50-Y117 HydrophobicContact CH2-CE2 4.04Å; W50-Y117 AromaticContact CZ2-CD2 3.41Å; W50-Y117 HydrophobicContact CZ2-CD2 3.41Å; W50-Y117 VanDerWaalsContact CZ2-CD2 3.41Å; W50-Y117 AromaticContact CZ2-CE2 3.37Å; W50-Y117 HydrophobicContact CZ2-CE2 3.37Å; W50-Y117 HydrophobicContact CZ2-CG 4.21Å; W50-Y117 AromaticContact NE1-CD1 3.77Å; W50-Y117 AromaticContact NE1-CD2 3.39Å; W50-Y117 AromaticContact NE1-CG 3.26Å; W50-Y117 VanDerWaalsContact NE1-CG 3.26Å
51	T	98.6	Very high	97.5	Very high	11 Å²	11	50 Å²	50	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-65.9	-46.4	176.6	-60.7	0	0	0	0	111.6	P47 V48 V49 T53 N54 V55 T118 H124 I127 N128	P47-T51 PolarHBondContact O-N 2.9Å; P47-T51 PolarHBondContact O-OG1 3.22Å; V48-T51 PolarHBondContact O-N 2.81Å; V49-T51 VanDerWaalsContact C-N 3.34Å; V49-T51 PolarHBondContact O-N 2.95Å; T51-T53 VanDerWaalsContact C-N 3.33Å; T51-T53 PolarHBondContact O-N 2.91Å; T51-N54 PolarHBondContact O-N 3.41Å; T51-V55 HydrophobicContact CG2-CG2 4.42Å; T51-V55 WeakPolarHBondContact O-CB 3.3Å; T51-V55 VanDerWaalsContact O-CG2 3.31Å; T51-V55 WeakPolarHBondContact O-CG2 3.45Å; T51-V55 PolarHBondContact O-N 3.29Å; T51-T118 WeakPolarHBondContact OG1-CG2 3.48Å; T51-H124 PolarHBondContact OG1-ND1 3.31Å; T51-I127 HydrophobicContact CG2-CB 4.44Å; T51-I127 HydrophobicContact CG2-CG2 3.87Å; T51-N128 PolarHBondContact OG1-ND2 2.89Å
52	L	98.5	Very high	97.4	Very high	53 Å²	53	50.9 Å²	50.9	28%	0.277	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-42.1	176.2	-72.7	175.5	0	0	0	111.7	L38 F44 V48 V49 N54 V55 I56	L38-L52 HydrophobicContact CD1-CB 3.98Å; L38-L52 HydrophobicContact CD2-CD1 4.46Å; F44-L52 HydrophobicContact CD2-CD1 3.81Å; F44-L52 HydrophobicContact CE1-CD1 4.37Å; F44-L52 HydrophobicContact CE2-CD1 3.41Å; F44-L52 VanDerWaalsContact CE2-CD1 3.41Å; F44-L52 HydrophobicContact CG-CD1 4.43Å; F44-L52 HydrophobicContact CZ-CD1 3.73Å; V48-L52 HydrophobicContact CG1-CD1 3.79Å; V48-L52 HydrophobicContact CG1-CG 4.19Å; V48-L52 WeakPolarHBondContact O-CB 3.49Å; V48-L52 WeakPolarHBondContact O-CG 3.36Å; V48-L52 PolarHBondContact O-N 3.45Å; V49-L52 PolarHBondContact O-N 3.42Å; L52-N54 VanDerWaalsContact C-N 3.35Å; L52-N54 PolarHBondContact O-N 2.86Å; L52-V55 PolarHBondContact O-N 2.98Å; L52-I56 HydrophobicContact CB-CD1 4.46Å; L52-I56 VanDerWaalsContact O-CB 3.31Å; L52-I56 WeakPolarHBondContact O-CB 3.4Å; L52-I56 VanDerWaalsContact O-CG1 3.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.38Å; L52-I56 PolarHBondContact O-N 3.35Å
53	T	98.7	Very high	97.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-49	176.4	-55.6	0	0	0	0	110.3	V31 L34 H35 L38 V49 W50 T51 H57 L110	V31-T53 HydrophobicContact CG1-CG2 4.38Å; L34-T53 HydrophobicContact CD2-CG2 4.43Å; H35-T53 HydrophobicContact CB-CG2 4Å; H35-T53 PolarHBondContact ND1-OG1 3.22Å; L38-T53 WeakPolarHBondContact CD1-OG1 3.34Å; V49-T53 WeakPolarHBondContact O-CB 3.37Å; V49-T53 PolarHBondContact O-N 2.8Å; V49-T53 PolarHBondContact O-OG1 3.16Å; W50-T53 PolarHBondContact O-N 3.37Å; T51-T53 VanDerWaalsContact C-N 3.33Å; T51-T53 PolarHBondContact O-N 2.91Å; T53-H57 WeakPolarHBondContact O-CB 3.02Å; T53-H57 PolarHBondContact O-N 2.89Å; T53-L110 HydrophobicContact CG2-CD1 4.22Å; T53-L110 HydrophobicContact CG2-CD2 4.41Å
54	N	98.5	Very high	97.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.5	-44	178.9	-176.4	54.4	0	0	0	112.4	W50 T51 L52 N58 L110 A114 N128	W50-N54 WeakPolarHBondContact O-CB 3.06Å; W50-N54 PolarHBondContact O-N 3.3Å; T51-N54 PolarHBondContact O-N 3.41Å; L52-N54 VanDerWaalsContact C-N 3.35Å; L52-N54 PolarHBondContact O-N 2.86Å; N54-N58 WeakPolarHBondContact O-CB 3.45Å; N54-N58 PolarHBondContact O-N 3.32Å; N54-N58 PolarHBondContact O-ND2 2.95Å; N54-N58 PolarHBondContact OD1-ND2 3.22Å; N54-L110 HydrophobicContact CB-CD2 4.43Å; N54-L110 HydrophobicContact CB-CG 4.29Å; N54-A114 HydrophobicContact CB-CB 4.14Å; N54-N128 WeakPolarHBondContact ND2-CB 3.42Å; N54-N128 PolarHBondContact ND2-OD1 3.15Å
55	V	98.6	Very high	97.1	Very high	47 Å²	47	40.1 Å²	40.1	29%	0.285	23%	0.226	S	C	.	.	H	α-helix	trans	-66.4	-50.1	179.1	172.1	0	0	0	0	112.3	T51 L52 H57 N58 L59 I127	T51-V55 HydrophobicContact CG2-CG2 4.42Å; T51-V55 WeakPolarHBondContact O-CB 3.3Å; T51-V55 VanDerWaalsContact O-CG2 3.31Å; T51-V55 WeakPolarHBondContact O-CG2 3.45Å; T51-V55 PolarHBondContact O-N 3.29Å; L52-V55 PolarHBondContact O-N 2.98Å; V55-H57 VanDerWaalsContact C-N 3.33Å; V55-H57 PolarHBondContact O-N 3.47Å; V55-N58 PolarHBondContact O-N 3.4Å; V55-L59 WeakPolarHBondContact O-CB 3.4Å; V55-L59 PolarHBondContact O-N 3.34Å; V55-I127 HydrophobicContact CG2-CG2 3.73Å
56	I	98.6	Very high	96.8	Very high	73 Å²	73	38.2 Å²	38.2	37%	0.374	21%	0.21	S	C	.	.	H	α-helix	trans	-63.4	-43	179.9	-67.9	166.4	0	0	0	110.2	L34 L38 L52 L59 G60	L34-I56 HydrophobicContact CD1-CD1 4.42Å; L34-I56 HydrophobicContact CD1-CG2 4.05Å; L34-I56 HydrophobicContact CD2-CB 4.1Å; L34-I56 HydrophobicContact CD2-CG2 3.73Å; L38-I56 HydrophobicContact CD1-CD1 4.21Å; L38-I56 HydrophobicContact CD2-CD1 4.34Å; L52-I56 HydrophobicContact CB-CD1 4.46Å; L52-I56 VanDerWaalsContact O-CB 3.31Å; L52-I56 WeakPolarHBondContact O-CB 3.4Å; L52-I56 VanDerWaalsContact O-CG1 3.27Å; L52-I56 WeakPolarHBondContact O-CG1 3.38Å; L52-I56 PolarHBondContact O-N 3.35Å; I56-L59 PolarHBondContact O-N 2.91Å; I56-G60 PolarHBondContact O-N 3.02Å
57	H	98.6	Very high	96.4	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.06	21%	0.207	C	C	.	.	H	α-helix	trans	-56.8	-51.2	174.5	168.1	-95.2	0	0	0	111.9	Y27 T53 V55 G60 M61 L110	Y27-H57 AromaticContact CE2-NE2 3.45Å; Y27-H57 WeakPolarHBondContact CE2-NE2 3.35Å; Y27-H57 AromaticContact CZ-NE2 3.37Å; Y27-H57 PolarHBondContact OH-CE1 3.34Å; Y27-H57 VanDerWaalsContact OH-CE1 3.24Å; Y27-H57 PolarHBondContact OH-NE2 3.4Å; T53-H57 WeakPolarHBondContact O-CB 3.02Å; T53-H57 PolarHBondContact O-N 2.89Å; V55-H57 VanDerWaalsContact C-N 3.33Å; V55-H57 PolarHBondContact O-N 3.47Å; H57-G60 PolarHBondContact O-N 2.96Å; H57-M61 WeakPolarHBondContact NE2-CG 3.04Å; H57-M61 WeakPolarHBondContact O-CB 3.35Å; H57-M61 WeakPolarHBondContact O-CG 3.23Å; H57-M61 PolarHBondContact O-N 2.86Å; H57-L110 HydrophobicContact CB-CD2 3.61Å
58	N	98.3	Very high	96	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-37.7	-178.2	-69.4	-18.5	0	0	0	111.7	N54 V55 M61 Y62 P107 S131 V135	N54-N58 WeakPolarHBondContact O-CB 3.45Å; N54-N58 PolarHBondContact O-N 3.32Å; N54-N58 PolarHBondContact O-ND2 2.95Å; N54-N58 PolarHBondContact OD1-ND2 3.22Å; V55-N58 PolarHBondContact O-N 3.4Å; N58-M61 PolarHBondContact O-N 3.37Å; N58-Y62 WeakPolarHBondContact O-CB 3.23Å; N58-Y62 PolarHBondContact O-N 2.86Å; N58-P107 WeakPolarHBondContact OD1-CB 3.29Å; N58-S131 VanDerWaalsContact CB-OG 3.23Å; N58-S131 WeakPolarHBondContact CB-OG 3.21Å; N58-S131 PolarHBondContact ND2-OG 3.22Å; N58-V135 HydrophobicContact CB-CG1 3.88Å; N58-V135 HydrophobicContact CB-CG2 4.15Å; N58-V135 WeakPolarHBondContact O-CG1 3.45Å
59	L	97.6	Very high	95.5	Very high	107 Å²	107	39.6 Å²	39.6	56%	0.56	22%	0.217	S	C	*	.	H	α-helix	trans	-60.8	-48.6	173.4	178.8	62	0	0	0	111.4	V55 I56 M61 Y62 V63	V55-L59 WeakPolarHBondContact O-CB 3.4Å; V55-L59 PolarHBondContact O-N 3.34Å; I56-L59 PolarHBondContact O-N 2.91Å; L59-M61 VanDerWaalsContact C-N 3.34Å; L59-M61 PolarHBondContact O-N 2.87Å; L59-Y62 PolarHBondContact O-N 2.96Å; L59-V63 HydrophobicContact CD1-CG2 4.38Å; L59-V63 WeakPolarHBondContact O-CG2 3.3Å; L59-V63 PolarHBondContact O-N 3Å
60	G	96.4	Very high	94.8	Very high	41 Å²	41	40.2 Å²	40.2	42%	0.423	22%	0.223	S	C	.	.	H	α-helix	trans	-60	-44	176.5	0	0	0	0	0	112.1	I56 H57 Y62 V63 F64	I56-G60 PolarHBondContact O-N 3.02Å; H57-G60 PolarHBondContact O-N 2.96Å; G60-Y62 PolarHBondContact O-N 3.38Å; G60-V63 PolarHBondContact O-N 2.85Å; G60-F64 WeakPolarHBondContact O-CB 3.36Å; G60-F64 PolarHBondContact O-N 3.23Å
61	M	95.5	Very high	93.8	Very high	11 Å²	11	40.1 Å²	40.1	5%	0.054	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-42.7	174.6	-80.9	-64.8	-69.8	0	0	112.2	Y27 H57 N58 L59 M65 F103 V135	Y27-M61 HydrophobicContact CE2-SD 3.88Å; H57-M61 WeakPolarHBondContact NE2-CG 3.04Å; H57-M61 WeakPolarHBondContact O-CB 3.35Å; H57-M61 WeakPolarHBondContact O-CG 3.23Å; H57-M61 PolarHBondContact O-N 2.86Å; N58-M61 PolarHBondContact O-N 3.37Å; L59-M61 VanDerWaalsContact C-N 3.34Å; L59-M61 PolarHBondContact O-N 2.87Å; M61-M65 HydrophobicContact CE-CE 4.03Å; M61-M65 HydrophobicContact CE-CG 3.85Å; M61-M65 WeakPolarHBondContact O-CB 3.28Å; M61-M65 WeakPolarHBondContact O-CG 3.4Å; M61-M65 PolarHBondContact O-N 3.33Å; M61-M65 HydrophobicContact SD-CE 4.32Å; M61-M65 HydrophobicContact SD-CG 4.41Å; M61-F103 HydrophobicContact CE-CB 3.91Å; M61-F103 HydrophobicContact CE-CD1 3.71Å; M61-F103 HydrophobicContact CE-CG 4.17Å; M61-F103 HydrophobicContact SD-CD1 4.29Å; M61-V135 HydrophobicContact CB-CG1 4.23Å
62	Y	94.9	Very high	92.1	Very high	79 Å²	79	43.5 Å²	43.5	31%	0.31	25%	0.248	S	C	.	.	H	α-helix	trans	-61.3	-50.5	177.1	-178.9	-91.6	0	0	0	111	N58 L59 G60 F64 H66 A67 S134 P138	N58-Y62 WeakPolarHBondContact O-CB 3.23Å; N58-Y62 PolarHBondContact O-N 2.86Å; L59-Y62 PolarHBondContact O-N 2.96Å; G60-Y62 PolarHBondContact O-N 3.38Å; Y62-F64 PolarHBondContact O-N 3.01Å; Y62-H66 HydrophobicContact CD2-CB 4.24Å; Y62-H66 HydrophobicContact CE2-CB 4.23Å; Y62-H66 WeakPolarHBondContact O-CA 3.43Å; Y62-H66 WeakPolarHBondContact O-CB 3.48Å; Y62-H66 PolarHBondContact O-N 2.96Å; Y62-A67 PolarHBondContact O-N 3.07Å; Y62-A67 VanDerWaalsContact O-N 3.14Å; Y62-S134 WeakPolarHBondContact CD2-O 3.41Å; Y62-P138 HydrophobicContact CE2-CG 4.26Å
63	V	93.5	Very high	90.1	Very high	70 Å²	70	50.7 Å²	50.7	42%	0.424	28%	0.277	S	S	.	.	I	π-helix	trans	-58.4	-53.4	179.9	171.5	0	0	0	0	110	L59 G60 A67 V68	L59-V63 HydrophobicContact CD1-CG2 4.38Å; L59-V63 WeakPolarHBondContact O-CG2 3.3Å; L59-V63 PolarHBondContact O-N 3Å; G60-V63 PolarHBondContact O-N 2.85Å; V63-A67 WeakPolarHBondContact O-CA 3.32Å; V63-A67 VanDerWaalsContact O-CB 3.3Å; V63-A67 WeakPolarHBondContact O-CB 3.2Å; V63-A67 PolarHBondContact O-N 2.65Å; V63-A67 VanDerWaalsContact O-N 3.09Å; V63-V68 WeakPolarHBondContact O-CG2 3.46Å; V63-V68 PolarHBondContact O-N 2.92Å
64	F	92.3	Very high	88.2	Confident	86 Å²	86	53.9 Å²	53.9	38%	0.377	29%	0.292	S	S	.	.	I	π-helix	trans	-66.4	-45.2	-175.9	-177.3	-91.7	0	0	0	113	M18 G60 Y62 H86	M18-F64 HydrophobicContact CE-CD1 4.27Å; M18-F64 HydrophobicContact CE-CE1 3.3Å; M18-F64 HydrophobicContact CE-CZ 3.8Å; M18-F64 HydrophobicContact SD-CE1 3.93Å; G60-F64 WeakPolarHBondContact O-CB 3.36Å; G60-F64 PolarHBondContact O-N 3.23Å; Y62-F64 PolarHBondContact O-N 3.01Å; F64-H86 AromaticContact CE1-CD2 3.32Å; F64-H86 WeakPolarHBondContact CE1-CD2 3.39Å; F64-H86 AromaticContact CE1-CG 3.92Å; F64-H86 AromaticContact CE1-NE2 3.56Å; F64-H86 AromaticContact CZ-CD2 3.8Å; F64-H86 AromaticContact CZ-CE1 3.92Å; F64-H86 AromaticContact CZ-NE2 3.63Å; F64-H86 WeakPolarHBondContact O-CB 3.34Å
65	M	92.6	Very high	86.1	Confident	1 Å²	1	60.4 Å²	60.4	1%	0.005	33%	0.333	C	S	.	.	I	π-helix	trans	-84.3	-33.4	-172.8	-66.8	-70.5	169.2	0	0	113.4	M18 M61 T85 H86 W87 F103	M18-M65 HydrophobicContact CE-CE 3.56Å; M18-M65 HydrophobicContact SD-CE 3.3Å; M18-M65 WeakPolarHBondContact SD-CE 3.11Å; M18-M65 HydrophobicContact SD-SD 4.07Å; M61-M65 HydrophobicContact CE-CE 4.03Å; M61-M65 HydrophobicContact CE-CG 3.85Å; M61-M65 WeakPolarHBondContact O-CB 3.28Å; M61-M65 WeakPolarHBondContact O-CG 3.4Å; M61-M65 PolarHBondContact O-N 3.33Å; M61-M65 HydrophobicContact SD-CE 4.32Å; M61-M65 HydrophobicContact SD-CG 4.41Å; M65-T85 WeakPolarHBondContact O-CB 3.3Å; M65-H86 PolarHBondContact O-N 2.89Å; M65-W87 HydrophobicContact CB-CB 4.23Å; M65-W87 VanDerWaalsContact O-CB 3.23Å; M65-W87 WeakPolarHBondContact O-CB 3.14Å; M65-W87 PolarHBondContact O-N 3.22Å; M65-W87 HydrophobicContact SD-CE3 4.34Å; M65-F103 HydrophobicContact CE-CD1 3.9Å; M65-F103 HydrophobicContact CE-CD2 4.24Å; M65-F103 HydrophobicContact CE-CE1 4.04Å; M65-F103 HydrophobicContact CE-CE2 4.41Å; M65-F103 HydrophobicContact CE-CG 4.01Å; M65-F103 HydrophobicContact CE-CZ 4.3Å
66	H	91.1	Very high	84.4	Confident	21 Å²	21	62 Å²	62	10%	0.097	34%	0.343	C	S	.	.	I	π-helix	trans	-122.8	-20.1	-166.4	-58.5	-59.5	0	0	0	114.1	Y62 T85 W87	Y62-H66 HydrophobicContact CD2-CB 4.24Å; Y62-H66 HydrophobicContact CE2-CB 4.23Å; Y62-H66 WeakPolarHBondContact O-CA 3.43Å; Y62-H66 WeakPolarHBondContact O-CB 3.48Å; Y62-H66 PolarHBondContact O-N 2.96Å; H66-T85 WeakPolarHBondContact O-CG2 3.1Å; H66-W87 AromaticContact CE1-CD1 3.73Å; H66-W87 AromaticContact CE1-CG 3.52Å
67	A	89	Confident	83	Confident	47 Å²	47	59.5 Å²	59.5	39%	0.388	33%	0.331	S	S	.	.	I	π-helix	trans	-96.9	-40	175.5	0	0	0	0	0	112.7	Y62 V63	Y62-A67 PolarHBondContact O-N 3.07Å; Y62-A67 VanDerWaalsContact O-N 3.14Å; V63-A67 WeakPolarHBondContact O-CA 3.32Å; V63-A67 VanDerWaalsContact O-CB 3.3Å; V63-A67 WeakPolarHBondContact O-CB 3.2Å; V63-A67 PolarHBondContact O-N 2.65Å; V63-A67 VanDerWaalsContact O-N 3.09Å
68	V	89.1	Confident	81.7	Confident	70 Å²	70	67.1 Å²	67.1	42%	0.424	37%	0.367	S	S	.	.			trans	-72	130.8	177.2	177.5	0	0	0	0	110.2	V63 T85 H86	V63-V68 WeakPolarHBondContact O-CG2 3.46Å; V63-V68 PolarHBondContact O-N 2.92Å; V68-T85 WeakPolarHBondContact O-CA 3.26Å; V68-H86 PolarHBondContact O-N 3.12Å; V68-H86 VanDerWaalsContact O-N 3.13Å
69	K	87.4	Confident	80.6	Confident	71 Å²	71	69 Å²	69	31%	0.309	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-128.3	163.2	-178	-60.6	172.3	-156.3	167.1	0	111.3	L84 T85 I151 N152	K69-L84 VanDerWaalsContact CA-O 3.24Å; K69-L84 WeakPolarHBondContact CA-O 3.37Å; K69-L84 WeakPolarHBondContact CB-O 3.32Å; K69-T85 HydrophobicContact CG-CG2 4.06Å; K69-I151 PolarHBondContact NZ-O 2.97Å; K69-N152 VanDerWaalsContact CD-OD1 3.3Å; K69-N152 WeakPolarHBondContact CD-OD1 2.77Å; K69-N152 WeakPolarHBondContact CE-ND2 3.44Å; K69-N152 WeakPolarHBondContact CE-OD1 3.22Å; K69-N152 PolarHBondContact NZ-OD1 3.1Å
70	G	84.1	Confident	79.6	Confident	13 Å²	13	71.3 Å²	71.3	13%	0.134	39%	0.392	C	S	.	.	S	Bend	trans	77.1	-172.4	179	0	0	0	0	0	112.9	N14 A81 L84 Q89	N14-G70 PolarHBondContact ND2-O 3.08Å; G70-A81 VanDerWaalsContact CA-O 3.27Å; G70-A81 WeakPolarHBondContact CA-O 3.17Å; G70-A81 PolarHBondContact N-O 2.91Å; G70-L84 PolarHBondContact N-O 3.49Å; G70-L84 VanDerWaalsContact N-O 3.09Å; G70-Q89 PolarHBondContact O-NE2 3.24Å
71	T	77.8	Confident	79	Confident	28 Å²	28	69.5 Å²	69.5	17%	0.172	37%	0.373	C	S	.	.			trans	-122.5	132.6	177.8	47	0	0	0	0	108.4	N12 F73 A81 Q89	N12-T71 HydrophobicContact CB-CG2 4.13Å; N12-T71 WeakPolarHBondContact ND2-CG2 3.37Å; N12-T71 WeakPolarHBondContact OD1-CG2 3.28Å; T71-F73 PolarHBondContact O-N 3.01Å; T71-A81 HydrophobicContact CG2-CB 3.86Å; T71-Q89 VanDerWaalsContact CG2-OE1 3.24Å
72	P	62.8	Low	78.3	Confident	82 Å²	82	77.2 Å²	77.2	53%	0.532	40%	0.401	S	S	.	.	S	Bend	trans	-64.2	120.2	172.5	-16.4	29.6	0	0	0	109.3	E74	P72-E74 PolarHBondContact O-N 3.33Å
73	F	57	Low	77.8	Confident	203 Å²	203	76.4 Å²	76.4	89%	0.89	40%	0.402	S	S	*	.	S	Bend	trans	69.1	15.1	163	-46.4	-75.1	0	0	0	118.9	T71 T75	T71-F73 PolarHBondContact O-N 3.01Å; F73-T75 PolarHBondContact O-N 3.17Å
74	E	58.3	Low	77.6	Confident	68 Å²	68	75.9 Å²	75.9	32%	0.318	40%	0.397	S	S	.	.			trans	-94.2	94.8	176.5	-72.3	-72.3	165.5	0	0	112	V11 P72 P76	V11-E74 WeakPolarHBondContact O-CB 3.35Å; V11-E74 WeakPolarHBondContact O-CG 3.35Å; P72-E74 PolarHBondContact O-N 3.33Å; E74-P76 WeakPolarHBondContact OE2-CD 3.38Å
75	T	55.3	Low	77.5	Confident	138 Å²	138	72.1 Å²	72.1	85%	0.847	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-64.3	-27.9	169.7	37.1	0	0	0	0	115.6	F73 D77	F73-T75 PolarHBondContact O-N 3.17Å; T75-D77 PolarHBondContact O-N 3.41Å
76	P	61.5	Low	77.4	Confident	79 Å²	79	72.6 Å²	72.6	51%	0.513	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-78.7	-11.8	-176.8	-10.1	25.3	0	0	0	115.6	V11 E74 Q78	V11-P76 HydrophobicContact CG1-CB 3.92Å; E74-P76 WeakPolarHBondContact OE2-CD 3.38Å; P76-Q78 PolarHBondContact O-N 2.98Å; P76-Q78 VanDerWaalsContact O-N 3.09Å
77	D	70	Confident	77.5	Confident	22 Å²	22	71.9 Å²	71.9	12%	0.118	38%	0.379	C	S	.	.	G	3₁₀ helix	trans	-69.8	-6.1	-175	-176.2	58.9	0	0	0	113.8	V11 T75 G79 K80 A81	V11-D77 HydrophobicContact CG1-CB 4.14Å; T75-D77 PolarHBondContact O-N 3.41Å; D77-G79 PolarHBondContact O-N 3.15Å; D77-K80 WeakPolarHBondContact O-CG 3.42Å; D77-K80 PolarHBondContact O-N 2.93Å; D77-K80 PolarHBondContact OD2-N 3.09Å; D77-A81 WeakPolarHBondContact OD2-CA 3.08Å; D77-A81 WeakPolarHBondContact OD2-CB 3.3Å; D77-A81 PolarHBondContact OD2-N 3.14Å
78	Q	71.7	Confident	77.6	Confident	172 Å²	172	70.2 Å²	70.2	80%	0.804	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	22.4	-179.3	-61.9	-176.8	-30.7	0	0	113.5	P76	P76-Q78 PolarHBondContact O-N 2.98Å; P76-Q78 VanDerWaalsContact O-N 3.09Å
79	G	74.6	Confident	77.7	Confident	41 Å²	41	67 Å²	67	42%	0.423	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	9.4	179.2	0	0	0	0	0	115.8	D77 A81 R82	D77-G79 PolarHBondContact O-N 3.15Å; G79-A81 VanDerWaalsContact C-N 3.33Å; G79-A81 PolarHBondContact O-N 3.13Å; G79-R82 WeakPolarHBondContact O-CB 3.18Å; G79-R82 PolarHBondContact O-N 3.47Å; G79-R82 VanDerWaalsContact O-N 3.17Å
80	K	77.6	Confident	78	Confident	155 Å²	155	63.7 Å²	63.7	67%	0.674	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-40.2	-179.5	-71.1	177.3	-179.9	175.8	0	112.8	D77	D77-K80 WeakPolarHBondContact O-CG 3.42Å; D77-K80 PolarHBondContact O-N 2.93Å; D77-K80 PolarHBondContact OD2-N 3.09Å
81	A	82.2	Confident	78.3	Confident	2 Å²	2	63.7 Å²	63.7	2%	0.017	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.9	179.3	0	0	0	0	0	113.4	G70 T71 D77 G79 L83 L84 Q89	G70-A81 VanDerWaalsContact CA-O 3.27Å; G70-A81 WeakPolarHBondContact CA-O 3.17Å; G70-A81 PolarHBondContact N-O 2.91Å; T71-A81 HydrophobicContact CG2-CB 3.86Å; D77-A81 WeakPolarHBondContact OD2-CA 3.08Å; D77-A81 WeakPolarHBondContact OD2-CB 3.3Å; D77-A81 PolarHBondContact OD2-N 3.14Å; G79-A81 VanDerWaalsContact C-N 3.33Å; G79-A81 PolarHBondContact O-N 3.13Å; A81-L83 PolarHBondContact O-N 2.85Å; A81-L83 VanDerWaalsContact O-N 3.09Å; A81-L84 PolarHBondContact O-N 2.87Å; A81-Q89 HydrophobicContact CB-CG 4.33Å
82	R	81.8	Confident	78.9	Confident	173 Å²	173	69.6 Å²	69.6	65%	0.653	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-39.6	-171.6	-173.8	173.1	71.4	-179.4	2.3	113.1	G79	G79-R82 WeakPolarHBondContact O-CB 3.18Å; G79-R82 PolarHBondContact O-N 3.47Å; G79-R82 VanDerWaalsContact O-N 3.17Å
83	L	84.8	Confident	80.1	Confident	62 Å²	62	66.5 Å²	66.5	33%	0.325	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-11.4	-178.1	-54.4	-173.7	0	0	0	113.1	A81 R147 N152 Y154	A81-L83 PolarHBondContact O-N 2.85Å; A81-L83 VanDerWaalsContact O-N 3.09Å; L83-R147 PolarHBondContact O-NH2 3.17Å; L83-N152 PolarHBondContact O-ND2 2.98Å; L83-Y154 WeakPolarHBondContact CD2-O 3.21Å; L83-Y154 WeakPolarHBondContact CD2-OXT 3.41Å
84	L	88.1	Confident	81.8	Confident	60 Å²	60	60.9 Å²	60.9	31%	0.314	31%	0.311	S	S	.	.			trans	-80.6	134.1	-177	-60.8	-178.4	0	0	0	109.9	K69 G70 A81 E88 Q89	K69-L84 VanDerWaalsContact CA-O 3.24Å; K69-L84 WeakPolarHBondContact CA-O 3.37Å; K69-L84 WeakPolarHBondContact CB-O 3.32Å; G70-L84 PolarHBondContact N-O 3.49Å; G70-L84 VanDerWaalsContact N-O 3.09Å; A81-L84 PolarHBondContact O-N 2.87Å; L84-E88 WeakPolarHBondContact CA-OE2 3.36Å; L84-E88 HydrophobicContact CB-CB 4.13Å; L84-E88 HydrophobicContact CD2-CB 4.24Å; L84-Q89 HydrophobicContact CB-CG 3.6Å; L84-Q89 HydrophobicContact CD1-CG 4.27Å; L84-Q89 PolarHBondContact O-NE2 2.93Å
85	T	91	Very high	83.3	Confident	6 Å²	6	60.1 Å²	60.1	4%	0.037	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-70.1	162.1	170.7	61.9	0	0	0	0	110.7	M65 H66 V68 K69 W87 E88 Q89	M65-T85 WeakPolarHBondContact O-CB 3.3Å; H66-T85 WeakPolarHBondContact O-CG2 3.1Å; V68-T85 WeakPolarHBondContact O-CA 3.26Å; K69-T85 HydrophobicContact CG-CG2 4.06Å; T85-W87 PolarHBondContact O-N 3.4Å; T85-E88 PolarHBondContact N-OE2 3.5Å; T85-E88 PolarHBondContact O-N 3.41Å; T85-E88 VanDerWaalsContact OG1-CG 3.25Å; T85-E88 WeakPolarHBondContact OG1-CG 3.39Å; T85-E88 PolarHBondContact OG1-N 3.05Å; T85-E88 PolarHBondContact OG1-OE2 3.34Å; T85-E88 VanDerWaalsContact OG1-OE2 3.1Å; T85-Q89 WeakPolarHBondContact O-CG 3.48Å; T85-Q89 PolarHBondContact O-N 3Å
86	H	91.1	Very high	85	Confident	11 Å²	11	60.3 Å²	60.3	5%	0.051	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-37.7	177.4	-160.2	83.3	0	0	0	112.2	N14 M18 F64 M65 V68 E88 Q89 L90	N14-H86 VanDerWaalsContact CB-CE1 3.49Å; N14-H86 WeakPolarHBondContact CB-CE1 3.43Å; N14-H86 VanDerWaalsContact CG-ND1 3.26Å; N14-H86 PolarHBondContact ND2-ND1 3.47Å; N14-H86 PolarHBondContact OD1-CE1 2.99Å; N14-H86 PolarHBondContact OD1-ND1 3.48Å; M18-H86 VanDerWaalsContact SD-CD2 3.56Å; M18-H86 PolarHBondContact SD-NE2 2.92Å; M18-H86 VanDerWaalsContact SD-NE2 3.36Å; F64-H86 AromaticContact CE1-CD2 3.32Å; F64-H86 WeakPolarHBondContact CE1-CD2 3.39Å; F64-H86 AromaticContact CE1-CG 3.92Å; F64-H86 AromaticContact CE1-NE2 3.56Å; F64-H86 AromaticContact CZ-CD2 3.8Å; F64-H86 AromaticContact CZ-CE1 3.92Å; F64-H86 AromaticContact CZ-NE2 3.63Å; F64-H86 WeakPolarHBondContact O-CB 3.34Å; M65-H86 PolarHBondContact O-N 2.89Å; V68-H86 PolarHBondContact O-N 3.12Å; V68-H86 VanDerWaalsContact O-N 3.13Å; H86-E88 VanDerWaalsContact C-N 3.32Å; H86-E88 PolarHBondContact O-N 3.01Å; H86-Q89 PolarHBondContact O-N 2.98Å; H86-L90 PolarHBondContact O-N 3.33Å
87	W	93.3	Very high	86.5	Confident	7 Å²	7	57.9 Å²	57.9	3%	0.027	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-36	173.7	179.7	-107.6	0	0	0	113.5	M65 H66 T85 L90 R100 F103 K139	M65-W87 HydrophobicContact CB-CB 4.23Å; M65-W87 VanDerWaalsContact O-CB 3.23Å; M65-W87 WeakPolarHBondContact O-CB 3.14Å; M65-W87 PolarHBondContact O-N 3.22Å; M65-W87 HydrophobicContact SD-CE3 4.34Å; H66-W87 AromaticContact CE1-CD1 3.73Å; H66-W87 AromaticContact CE1-CG 3.52Å; T85-W87 PolarHBondContact O-N 3.4Å; W87-L90 HydrophobicContact CE3-CD2 4.09Å; W87-L90 HydrophobicContact CZ3-CD2 4.05Å; W87-R100 HydrophobicContact CH2-CB 3.62Å; W87-R100 HydrophobicContact CH2-CG 3.68Å; W87-R100 HydrophobicContact CZ2-CB 4.27Å; W87-R100 HydrophobicContact CZ2-CG 4.12Å; W87-R100 HydrophobicContact CZ3-CB 4.19Å; W87-R100 HydrophobicContact CZ3-CG 3.99Å; W87-R100 VanDerWaalsContact NE1-NH1 3.18Å; W87-R100 PolarHBondContact O-NH1 3.17Å; W87-R100 PolarHBondContact O-NH2 3.39Å; W87-F103 HydrophobicContact CZ3-CB 4.18Å; W87-K139 HydrophobicContact CD2-CG 4.04Å; W87-K139 HydrophobicContact CE3-CG 4.34Å; W87-K139 HydrophobicContact CH2-CB 4.26Å; W87-K139 HydrophobicContact CH2-CD 4.03Å; W87-K139 HydrophobicContact CH2-CG 3.99Å; W87-K139 HydrophobicContact CZ2-CB 3.63Å; W87-K139 HydrophobicContact CZ2-CD 4.21Å; W87-K139 HydrophobicContact CZ2-CG 3.68Å; W87-K139 HydrophobicContact CZ3-CD 4.25Å; W87-K139 HydrophobicContact CZ3-CG 4.32Å
88	E	90.9	Very high	87.7	Confident	11 Å²	11	60.6 Å²	60.6	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-73.1	-36.2	179.6	-72.6	168.5	150.6	0	0	111.5	L84 T85 H86 G93 G145 R147	L84-E88 WeakPolarHBondContact CA-OE2 3.36Å; L84-E88 HydrophobicContact CB-CB 4.13Å; L84-E88 HydrophobicContact CD2-CB 4.24Å; T85-E88 PolarHBondContact N-OE2 3.5Å; T85-E88 PolarHBondContact O-N 3.41Å; T85-E88 VanDerWaalsContact OG1-CG 3.25Å; T85-E88 WeakPolarHBondContact OG1-CG 3.39Å; T85-E88 PolarHBondContact OG1-N 3.05Å; T85-E88 PolarHBondContact OG1-OE2 3.34Å; T85-E88 VanDerWaalsContact OG1-OE2 3.1Å; H86-E88 VanDerWaalsContact C-N 3.32Å; H86-E88 PolarHBondContact O-N 3.01Å; E88-G93 WeakPolarHBondContact O-CA 3.33Å; E88-G145 WeakPolarHBondContact OE1-CA 3.42Å; E88-G145 PolarHBondContact OE1-N 3.12Å; E88-R147 IonicContact OE1-CZ 3.96Å; E88-R147 IonicContact OE1-NH1 3.54Å; E88-R147 PolarHBondContact OE1-NH1 3.16Å; E88-R147 IonicContact OE1-NH2 2.92Å; E88-R147 IonicContact OE2-CZ 3.36Å; E88-R147 IonicContact OE2-NH1 3.42Å; E88-R147 PolarHBondContact OE2-NH1 3.42Å; E88-R147 IonicContact OE2-NH2 2.65Å; E88-R147 PolarHBondContact OE2-NH2 2.45Å
89	Q	91.1	Very high	88.7	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.019	26%	0.264	C	S	.	.	H	α-helix	trans	-72.8	-30.4	177.8	-62.4	175.7	46.1	0	0	112.9	N12 N14 G70 T71 A81 L84 T85 H86 D91 Y92	N12-Q89 PolarHBondContact ND2-OE1 3.03Å; N12-Q89 PolarHBondContact OD1-OE1 3.17Å; N14-Q89 HydrophobicContact CB-CB 4.09Å; N14-Q89 PolarHBondContact ND2-OE1 3.43Å; G70-Q89 PolarHBondContact O-NE2 3.24Å; T71-Q89 VanDerWaalsContact CG2-OE1 3.24Å; A81-Q89 HydrophobicContact CB-CG 4.33Å; L84-Q89 HydrophobicContact CB-CG 3.6Å; L84-Q89 HydrophobicContact CD1-CG 4.27Å; L84-Q89 PolarHBondContact O-NE2 2.93Å; T85-Q89 WeakPolarHBondContact O-CG 3.48Å; T85-Q89 PolarHBondContact O-N 3Å; H86-Q89 PolarHBondContact O-N 2.98Å; Q89-D91 PolarHBondContact O-N 3.19Å; Q89-Y92 PolarHBondContact O-N 2.6Å; Q89-Y92 VanDerWaalsContact O-N 3.08Å
90	L	92.3	Very high	89.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-52.2	132.8	-175.6	179.9	61.5	0	0	0	113	M18 H86 W87 Y92 G93 R100 F103	M18-L90 HydrophobicContact CB-CD1 3.69Å; M18-L90 HydrophobicContact CG-CD1 3.89Å; M18-L90 HydrophobicContact SD-CD1 4.47Å; H86-L90 PolarHBondContact O-N 3.33Å; W87-L90 HydrophobicContact CE3-CD2 4.09Å; W87-L90 HydrophobicContact CZ3-CD2 4.05Å; L90-Y92 PolarHBondContact O-N 3.4Å; L90-Y92 VanDerWaalsContact O-N 3.13Å; L90-G93 PolarHBondContact O-N 3.25Å; L90-R100 HydrophobicContact CD2-CG 3.76Å; L90-R100 HydrophobicContact CG-CG 4.26Å; L90-R100 PolarHBondContact O-NH2 2.85Å; L90-F103 HydrophobicContact CD2-CD2 4.36Å
91	D	91.6	Very high	90.5	Very high	13 Å²	13	48.3 Å²	48.3	7%	0.07	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	46.8	39.5	-177.7	-60.9	-52.7	0	0	0	112.2	T15 N19 Q89 G93 V94 T97 S99	T15-D91 WeakPolarHBondContact O-CA 3.36Å; T15-D91 PolarHBondContact O-N 3.02Å; N19-D91 PolarHBondContact ND2-OD1 3.47Å; N19-D91 VanDerWaalsContact ND2-OD1 3.14Å; Q89-D91 PolarHBondContact O-N 3.19Å; D91-G93 PolarHBondContact O-N 2.92Å; D91-G93 VanDerWaalsContact O-N 3.17Å; D91-V94 VanDerWaalsContact O-CB 3.3Å; D91-V94 WeakPolarHBondContact O-CB 3.47Å; D91-V94 WeakPolarHBondContact O-CG2 3.29Å; D91-V94 PolarHBondContact O-N 3.45Å; D91-T97 HydrophobicContact CB-CG2 3.63Å; D91-T97 WeakPolarHBondContact OD2-CB 3.45Å; D91-T97 PolarHBondContact OD2-OG1 2.96Å; D91-S99 WeakPolarHBondContact OD2-CB 3.33Å; D91-S99 PolarHBondContact OD2-OG 2.8Å
92	Y	89.7	Confident	91.1	Very high	153 Å²	153	50.5 Å²	50.5	60%	0.6	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	57	27	-178.2	-50.6	-88.8	0	0	0	114.6	E10 T15 R16 Q89 L90 V94	E10-Y92 PolarHBondContact OE1-OH 3.21Å; T15-Y92 HydrophobicContact CG2-CD1 3.6Å; T15-Y92 HydrophobicContact CG2-CE1 3.78Å; T15-Y92 HydrophobicContact CG2-CG 4.19Å; R16-Y92 HydrophobicContact CG-CE2 4.26Å; Q89-Y92 PolarHBondContact O-N 2.6Å; Q89-Y92 VanDerWaalsContact O-N 3.08Å; L90-Y92 PolarHBondContact O-N 3.4Å; L90-Y92 VanDerWaalsContact O-N 3.13Å; Y92-V94 PolarHBondContact O-N 2.83Å
93	G	89	Confident	91.8	Very high	16 Å²	16	42.4 Å²	42.4	17%	0.165	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	80.2	-1	-176.1	0	0	0	0	0	114.5	E88 L90 D91 Q95	E88-G93 WeakPolarHBondContact O-CA 3.33Å; L90-G93 PolarHBondContact O-N 3.25Å; D91-G93 PolarHBondContact O-N 2.92Å; D91-G93 VanDerWaalsContact O-N 3.17Å; G93-Q95 PolarHBondContact O-N 3.33Å; G93-Q95 PolarHBondContact O-NE2 2.72Å
94	V	91.2	Very high	92.3	Very high	85 Å²	85	41.3 Å²	41.3	52%	0.515	21%	0.209	S	C	.	.			trans	-64.4	124.6	177.7	179.2	0	0	0	0	109.4	D91 Y92 T97 R100	D91-V94 VanDerWaalsContact O-CB 3.3Å; D91-V94 WeakPolarHBondContact O-CB 3.47Å; D91-V94 WeakPolarHBondContact O-CG2 3.29Å; D91-V94 PolarHBondContact O-N 3.45Å; Y92-V94 PolarHBondContact O-N 2.83Å; V94-T97 HydrophobicContact CB-CG2 3.95Å; V94-T97 HydrophobicContact CG1-CG2 3.81Å; V94-T97 WeakPolarHBondContact O-CG2 3.36Å; V94-R100 WeakPolarHBondContact O-CD 3.22Å; V94-R100 PolarHBondContact O-NE 3.09Å
95	Q	91	Very high	92.7	Very high	52 Å²	52	42.5 Å²	42.5	24%	0.243	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	155.8	-177.3	-58	-57.2	-42.4	0	0	111.8	G93 T97 P141 H144	G93-Q95 PolarHBondContact O-N 3.33Å; G93-Q95 PolarHBondContact O-NE2 2.72Å; Q95-T97 PolarHBondContact O-N 3.07Å; Q95-T97 VanDerWaalsContact O-N 3.11Å; Q95-P141 HydrophobicContact CG-CB 4.36Å; Q95-H144 PolarHBondContact NE2-ND1 3.39Å
96	F	89.8	Confident	93	Very high	142 Å²	142	43 Å²	43	62%	0.623	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	22.4	173.1	-51.9	-70.5	0	0	0	116.6	K101 P141	F96-K101 WeakPolarHBondContact O-CE 3.44Å; F96-K101 PolarHBondContact O-NZ 2.96Å; F96-P141 HydrophobicContact CE1-CG 4.36Å; F96-P141 HydrophobicContact CE2-CG 4.11Å; F96-P141 HydrophobicContact CZ-CG 3.67Å
97	T	94.3	Very high	93.3	Very high	29 Å²	29	42.5 Å²	42.5	18%	0.178	22%	0.216	C	C	.	.			trans	-63.8	164.7	168.5	62	0	0	0	0	111.6	D91 V94 Q95 S99 R100 K101	D91-T97 HydrophobicContact CB-CG2 3.63Å; D91-T97 WeakPolarHBondContact OD2-CB 3.45Å; D91-T97 PolarHBondContact OD2-OG1 2.96Å; V94-T97 HydrophobicContact CB-CG2 3.95Å; V94-T97 HydrophobicContact CG1-CG2 3.81Å; V94-T97 WeakPolarHBondContact O-CG2 3.36Å; Q95-T97 PolarHBondContact O-N 3.07Å; Q95-T97 VanDerWaalsContact O-N 3.11Å; T97-S99 VanDerWaalsContact C-N 3.32Å; T97-S99 PolarHBondContact O-N 2.91Å; T97-R100 PolarHBondContact O-N 3.47Å; T97-R100 WeakPolarHBondContact OG1-CB 3.18Å; T97-R100 WeakPolarHBondContact OG1-CG 3.45Å; T97-R100 PolarHBondContact OG1-N 3.02Å; T97-K101 WeakPolarHBondContact O-CB 3.45Å; T97-K101 WeakPolarHBondContact O-CG 3.25Å; T97-K101 PolarHBondContact O-N 2.81Å
98	S	94	Very high	93.6	Very high	79 Å²	79	44.5 Å²	44.5	55%	0.552	23%	0.227	S	C	*	.	H	α-helix	trans	-58.9	-42.2	178.7	-54.3	0	0	0	0	112.4	K101 F102	S98-K101 PolarHBondContact O-N 3.09Å; S98-F102 WeakPolarHBondContact O-CB 3.45Å; S98-F102 PolarHBondContact O-N 3.1Å
99	S	93	Very high	93.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-46.4	177.9	-36.1	0	0	0	0	111.3	N19 D91 T97 K101 F102 F103	N19-S99 WeakPolarHBondContact CA-OG 3.35Å; N19-S99 PolarHBondContact ND2-OG 2.85Å; D91-S99 WeakPolarHBondContact OD2-CB 3.33Å; D91-S99 PolarHBondContact OD2-OG 2.8Å; T97-S99 VanDerWaalsContact C-N 3.32Å; T97-S99 PolarHBondContact O-N 2.91Å; S99-K101 VanDerWaalsContact C-N 3.33Å; S99-K101 PolarHBondContact O-N 2.96Å; S99-F102 WeakPolarHBondContact O-CB 3.49Å; S99-F102 PolarHBondContact O-N 3.34Å; S99-F103 WeakPolarHBondContact O-CD2 3.45Å; S99-F103 PolarHBondContact O-N 3.42Å
100	R	94.3	Very high	94.3	Very high	3 Å²	3	48.8 Å²	48.8	1%	0.011	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-42.2	176.6	-74.1	-177.3	-178.8	-83.1	-3.6	111.9	W87 L90 V94 T97 T104	W87-R100 HydrophobicContact CH2-CB 3.62Å; W87-R100 HydrophobicContact CH2-CG 3.68Å; W87-R100 HydrophobicContact CZ2-CB 4.27Å; W87-R100 HydrophobicContact CZ2-CG 4.12Å; W87-R100 HydrophobicContact CZ3-CB 4.19Å; W87-R100 HydrophobicContact CZ3-CG 3.99Å; W87-R100 VanDerWaalsContact NE1-NH1 3.18Å; W87-R100 PolarHBondContact O-NH1 3.17Å; W87-R100 PolarHBondContact O-NH2 3.39Å; L90-R100 HydrophobicContact CD2-CG 3.76Å; L90-R100 HydrophobicContact CG-CG 4.26Å; L90-R100 PolarHBondContact O-NH2 2.85Å; V94-R100 WeakPolarHBondContact O-CD 3.22Å; V94-R100 PolarHBondContact O-NE 3.09Å; T97-R100 PolarHBondContact O-N 3.47Å; T97-R100 WeakPolarHBondContact OG1-CB 3.18Å; T97-R100 WeakPolarHBondContact OG1-CG 3.45Å; T97-R100 PolarHBondContact OG1-N 3.02Å; R100-T104 VanDerWaalsContact O-CB 3.29Å; R100-T104 WeakPolarHBondContact O-CB 3.32Å; R100-T104 PolarHBondContact O-N 2.99Å; R100-T104 PolarHBondContact O-OG1 3.35Å
101	K	95.3	Very high	94.6	Very high	107 Å²	107	49.9 Å²	49.9	47%	0.465	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-46.4	175	-76.2	173.1	177.5	164.1	0	110.9	F96 T97 S98 S99 T104 I105	F96-K101 WeakPolarHBondContact O-CE 3.44Å; F96-K101 PolarHBondContact O-NZ 2.96Å; T97-K101 WeakPolarHBondContact O-CB 3.45Å; T97-K101 WeakPolarHBondContact O-CG 3.25Å; T97-K101 PolarHBondContact O-N 2.81Å; S98-K101 PolarHBondContact O-N 3.09Å; S99-K101 VanDerWaalsContact C-N 3.33Å; S99-K101 PolarHBondContact O-N 2.96Å; K101-T104 PolarHBondContact O-N 2.68Å; K101-I105 HydrophobicContact CB-CD1 4.26Å; K101-I105 VanDerWaalsContact O-CB 3.31Å; K101-I105 WeakPolarHBondContact O-CB 3.49Å; K101-I105 WeakPolarHBondContact O-CD1 3.45Å; K101-I105 WeakPolarHBondContact O-CG1 3.24Å; K101-I105 PolarHBondContact O-N 2.99Å
102	F	95.8	Very high	94.9	Very high	47 Å²	47	55.6 Å²	55.6	21%	0.206	28%	0.278	C	S	.	.	H	α-helix	trans	-53.9	-59.7	176.5	178.3	-98	0	0	0	111	W24 Y27 S98 S99 T104 I105 S106	W24-F102 HydrophobicContact CB-CE1 4Å; W24-F102 HydrophobicContact CB-CE2 4.05Å; W24-F102 HydrophobicContact CB-CZ 3.69Å; W24-F102 AromaticContact CD1-CD1 3.97Å; W24-F102 HydrophobicContact CD2-CB 4.46Å; W24-F102 HydrophobicContact CD2-CD1 4.22Å; W24-F102 HydrophobicContact CD2-CD2 4.02Å; W24-F102 HydrophobicContact CD2-CE1 4.48Å; W24-F102 HydrophobicContact CD2-CE2 4.29Å; W24-F102 AromaticContact CD2-CG 3.97Å; W24-F102 HydrophobicContact CD2-CG 3.97Å; W24-F102 AromaticContact CE3-CD2 3.94Å; W24-F102 HydrophobicContact CE3-CD2 3.94Å; W24-F102 HydrophobicContact CE3-CE2 4.29Å; W24-F102 HydrophobicContact CE3-CG 4.28Å; W24-F102 HydrophobicContact CG-CD1 4.02Å; W24-F102 HydrophobicContact CG-CD2 4.33Å; W24-F102 AromaticContact CG-CE1 3.9Å; W24-F102 HydrophobicContact CG-CE1 3.9Å; W24-F102 HydrophobicContact CG-CE2 4.21Å; W24-F102 HydrophobicContact CG-CG 4.23Å; W24-F102 AromaticContact CG-CZ 3.99Å; W24-F102 HydrophobicContact CG-CZ 3.99Å; W24-F102 HydrophobicContact CZ2-CB 4.28Å; W24-F102 HydrophobicContact CZ3-CD2 4.48Å; Y27-F102 AromaticContact CD1-CE1 3.54Å; Y27-F102 HydrophobicContact CD1-CE1 3.54Å; Y27-F102 AromaticContact CD1-CZ 3.56Å; Y27-F102 HydrophobicContact CD1-CZ 3.56Å; Y27-F102 AromaticContact CE1-CE1 3.86Å; Y27-F102 HydrophobicContact CE1-CE1 3.86Å; Y27-F102 AromaticContact CE1-CZ 3.91Å; Y27-F102 HydrophobicContact CE1-CZ 3.91Å; Y27-F102 HydrophobicContact CG-CE1 4.21Å; S98-F102 WeakPolarHBondContact O-CB 3.45Å; S98-F102 PolarHBondContact O-N 3.1Å; S99-F102 WeakPolarHBondContact O-CB 3.49Å; S99-F102 PolarHBondContact O-N 3.34Å; F102-T104 PolarHBondContact O-N 2.93Å; F102-T104 VanDerWaalsContact O-N 3.11Å; F102-I105 PolarHBondContact O-N 3.26Å; F102-I105 VanDerWaalsContact O-N 3.1Å; F102-S106 PolarHBondContact O-N 3.02Å; F102-S106 PolarHBondContact O-OG 3.33Å
103	F	95.5	Very high	95.3	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.013	27%	0.267	C	S	.	.	H	α-helix	trans	-67.6	-14.9	-178.6	-68.3	-65.3	0	0	0	114.7	M18 I23 Y27 M61 M65 W87 L90 S99 P107 K139	M18-F103 HydrophobicContact CB-CE2 3.67Å; M18-F103 HydrophobicContact CB-CZ 4.12Å; M18-F103 HydrophobicContact CE-CE1 4.39Å; M18-F103 HydrophobicContact CE-CE2 4.3Å; M18-F103 HydrophobicContact CE-CZ 3.83Å; M18-F103 HydrophobicContact CG-CE2 4.41Å; M18-F103 HydrophobicContact SD-CD2 4.42Å; M18-F103 HydrophobicContact SD-CE2 3.79Å; M18-F103 HydrophobicContact SD-CZ 3.95Å; I23-F103 HydrophobicContact CG2-CZ 4.36Å; Y27-F103 HydrophobicContact CD2-CE1 4.22Å; Y27-F103 HydrophobicContact CG-CE1 4.37Å; M61-F103 HydrophobicContact CE-CB 3.91Å; M61-F103 HydrophobicContact CE-CD1 3.71Å; M61-F103 HydrophobicContact CE-CG 4.17Å; M61-F103 HydrophobicContact SD-CD1 4.29Å; M65-F103 HydrophobicContact CE-CD1 3.9Å; M65-F103 HydrophobicContact CE-CD2 4.24Å; M65-F103 HydrophobicContact CE-CE1 4.04Å; M65-F103 HydrophobicContact CE-CE2 4.41Å; M65-F103 HydrophobicContact CE-CG 4.01Å; M65-F103 HydrophobicContact CE-CZ 4.3Å; W87-F103 HydrophobicContact CZ3-CB 4.18Å; L90-F103 HydrophobicContact CD2-CD2 4.36Å; S99-F103 WeakPolarHBondContact O-CD2 3.45Å; S99-F103 PolarHBondContact O-N 3.42Å; F103-P107 VanDerWaalsContact O-CD 3.23Å; F103-P107 WeakPolarHBondContact O-CD 3.4Å; F103-K139 PolarHBondContact O-NZ 3.29Å
104	T	96.3	Very high	95.7	Very high	40 Å²	40	50.9 Å²	50.9	25%	0.245	26%	0.259	C	S	.	.	H	α-helix	trans	-84.3	-42	171.6	-57	0	0	0	0	111.2	R100 K101 F102 P107 I108 L136	R100-T104 VanDerWaalsContact O-CB 3.29Å; R100-T104 WeakPolarHBondContact O-CB 3.32Å; R100-T104 PolarHBondContact O-N 2.99Å; R100-T104 PolarHBondContact O-OG1 3.35Å; K101-T104 PolarHBondContact O-N 2.68Å; F102-T104 PolarHBondContact O-N 2.93Å; F102-T104 VanDerWaalsContact O-N 3.11Å; T104-P107 WeakPolarHBondContact O-CD 3.43Å; T104-P107 WeakPolarHBondContact O-CG 3.23Å; T104-I108 HydrophobicContact CG2-CD1 4.48Å; T104-I108 WeakPolarHBondContact O-CD1 3.36Å; T104-I108 WeakPolarHBondContact O-CG1 3.36Å; T104-L136 HydrophobicContact CG2-CD2 4.03Å
105	I	97.1	Very high	96	Very high	84 Å²	84	47 Å²	47	43%	0.431	24%	0.236	S	C	.	.	H	α-helix	trans	-77.3	-37	-176.1	-68.1	166.4	0	0	0	111.4	K101 F102 I108 I109	K101-I105 HydrophobicContact CB-CD1 4.26Å; K101-I105 VanDerWaalsContact O-CB 3.31Å; K101-I105 WeakPolarHBondContact O-CB 3.49Å; K101-I105 WeakPolarHBondContact O-CD1 3.45Å; K101-I105 WeakPolarHBondContact O-CG1 3.24Å; K101-I105 PolarHBondContact O-N 2.99Å; F102-I105 PolarHBondContact O-N 3.26Å; F102-I105 VanDerWaalsContact O-N 3.1Å; I105-I108 WeakPolarHBondContact O-CA 3.33Å; I105-I108 WeakPolarHBondContact O-CB 3.18Å; I105-I108 PolarHBondContact O-N 2.76Å; I105-I109 HydrophobicContact CG2-CD1 3.62Å; I105-I109 HydrophobicContact CG2-CG1 3.91Å; I105-I109 PolarHBondContact O-N 2.83Å
106	S	97.3	Very high	96.3	Very high	18 Å²	18	50.5 Å²	50.5	13%	0.126	25%	0.25	C	S	.	.	H	α-helix	trans	-54	-50.3	-178.5	-56.5	0	0	0	0	114.7	Y27 F102 I108 I109 L110	Y27-S106 WeakPolarHBondContact OH-CB 3.43Å; F102-S106 PolarHBondContact O-N 3.02Å; F102-S106 PolarHBondContact O-OG 3.33Å; S106-I108 VanDerWaalsContact C-N 3.25Å; S106-I108 PolarHBondContact O-N 2.9Å; S106-I109 PolarHBondContact O-N 3.11Å; S106-L110 PolarHBondContact O-N 3.21Å
107	P	97.6	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64	-29.2	174.9	24.1	-33.8	0	0	0	113	N58 F103 T104 Y111 L132 V135 L136	N58-P107 WeakPolarHBondContact OD1-CB 3.29Å; F103-P107 VanDerWaalsContact O-CD 3.23Å; F103-P107 WeakPolarHBondContact O-CD 3.4Å; T104-P107 WeakPolarHBondContact O-CD 3.43Å; T104-P107 WeakPolarHBondContact O-CG 3.23Å; P107-Y111 VanDerWaalsContact O-CB 3.29Å; P107-Y111 WeakPolarHBondContact O-CB 3.27Å; P107-Y111 PolarHBondContact O-N 3.31Å; P107-L132 HydrophobicContact CB-CD1 3.87Å; P107-L132 HydrophobicContact CG-CD1 4.5Å; P107-V135 HydrophobicContact CB-CG2 4.18Å; P107-V135 HydrophobicContact CG-CG2 4.45Å; P107-L136 HydrophobicContact CG-CD2 4.34Å
108	I	98.4	Very high	96.8	Very high	48 Å²	48	47.5 Å²	47.5	25%	0.246	23%	0.233	C	C	.	.	H	α-helix	trans	-68.3	-44.9	176.7	-63.5	169.7	0	0	0	110.4	T104 I105 S106 L110 Y111 F112 L132 L136	T104-I108 HydrophobicContact CG2-CD1 4.48Å; T104-I108 WeakPolarHBondContact O-CD1 3.36Å; T104-I108 WeakPolarHBondContact O-CG1 3.36Å; I105-I108 WeakPolarHBondContact O-CA 3.33Å; I105-I108 WeakPolarHBondContact O-CB 3.18Å; I105-I108 PolarHBondContact O-N 2.76Å; S106-I108 VanDerWaalsContact C-N 3.25Å; S106-I108 PolarHBondContact O-N 2.9Å; I108-L110 VanDerWaalsContact C-N 3.34Å; I108-Y111 WeakPolarHBondContact O-CB 3.37Å; I108-Y111 PolarHBondContact O-N 2.92Å; I108-F112 HydrophobicContact CG2-CD2 3.77Å; I108-F112 HydrophobicContact CG2-CE2 3.44Å; I108-F112 VanDerWaalsContact CG2-CE2 3.44Å; I108-F112 HydrophobicContact CG2-CZ 4.48Å; I108-F112 WeakPolarHBondContact O-CD2 3.49Å; I108-F112 PolarHBondContact O-N 3.1Å; I108-L132 HydrophobicContact CG1-CD1 4.24Å; I108-L136 HydrophobicContact CD1-CD1 4.07Å; I108-L136 HydrophobicContact CD1-CD2 4.18Å; I108-L136 HydrophobicContact CG1-CD1 3.86Å; I108-L136 HydrophobicContact CG1-CD2 4.13Å
109	I	98.3	Very high	97	Very high	93 Å²	93	52.3 Å²	52.3	48%	0.477	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-47.1	175.4	-67.4	173.9	0	0	0	110	I105 S106 Y111 F112 L113	I105-I109 HydrophobicContact CG2-CD1 3.62Å; I105-I109 HydrophobicContact CG2-CG1 3.91Å; I105-I109 PolarHBondContact O-N 2.83Å; S106-I109 PolarHBondContact O-N 3.11Å; I109-Y111 VanDerWaalsContact C-N 3.3Å; I109-Y111 PolarHBondContact O-N 3.3Å; I109-F112 PolarHBondContact O-N 3.19Å; I109-L113 HydrophobicContact CG2-CD1 4.16Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 3.12Å
110	L	98.2	Very high	97	Very high	13 Å²	13	59.5 Å²	59.5	7%	0.068	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-39.6	179.6	-173.1	60.6	0	0	0	112	V31 W50 T53 N54 H57 S106 I108 L113 A114	V31-L110 HydrophobicContact CG1-CD1 4.38Å; V31-L110 HydrophobicContact CG1-CD2 4.21Å; W50-L110 HydrophobicContact CE3-CD1 4.4Å; W50-L110 HydrophobicContact CZ3-CD1 3.98Å; T53-L110 HydrophobicContact CG2-CD1 4.22Å; T53-L110 HydrophobicContact CG2-CD2 4.41Å; N54-L110 HydrophobicContact CB-CD2 4.43Å; N54-L110 HydrophobicContact CB-CG 4.29Å; H57-L110 HydrophobicContact CB-CD2 3.61Å; S106-L110 PolarHBondContact O-N 3.21Å; I108-L110 VanDerWaalsContact C-N 3.34Å; L110-L113 PolarHBondContact O-N 3Å; L110-A114 WeakPolarHBondContact O-CB 3.3Å; L110-A114 PolarHBondContact O-N 3.5Å
111	Y	98.4	Very high	97.2	Very high	23 Å²	23	62.7 Å²	62.7	9%	0.09	29%	0.289	C	S	.	.	H	α-helix	trans	-61.2	-43.6	173.6	169.1	-97.8	0	0	0	112.8	P107 I108 I109 A114 S115 F125 N128 T129 L132	P107-Y111 VanDerWaalsContact O-CB 3.29Å; P107-Y111 WeakPolarHBondContact O-CB 3.27Å; P107-Y111 PolarHBondContact O-N 3.31Å; I108-Y111 WeakPolarHBondContact O-CB 3.37Å; I108-Y111 PolarHBondContact O-N 2.92Å; I109-Y111 VanDerWaalsContact C-N 3.3Å; I109-Y111 PolarHBondContact O-N 3.3Å; Y111-A114 PolarHBondContact O-N 3.36Å; Y111-S115 WeakPolarHBondContact O-CB 3.05Å; Y111-S115 PolarHBondContact O-N 3.39Å; Y111-S115 PolarHBondContact O-OG 3.16Å; Y111-F125 WeakPolarHBondContact OH-CE2 3.41Å; Y111-N128 HydrophobicContact CD2-CB 3.77Å; Y111-N128 HydrophobicContact CE2-CB 3.77Å; Y111-T129 PolarHBondContact OH-OG1 2.99Å; Y111-L132 HydrophobicContact CD1-CD2 3.83Å; Y111-L132 HydrophobicContact CD2-CB 4.23Å; Y111-L132 HydrophobicContact CD2-CD2 4.05Å; Y111-L132 HydrophobicContact CE1-CD2 4.34Å; Y111-L132 HydrophobicContact CG-CD2 3.66Å
112	F	98.4	Very high	97.2	Very high	133 Å²	133	62.6 Å²	62.6	58%	0.583	30%	0.298	S	S	*	.	H	α-helix	trans	-65	-43.1	176.9	-79.2	-57.8	0	0	0	111.9	I108 I109 S115 F116	I108-F112 HydrophobicContact CG2-CD2 3.77Å; I108-F112 HydrophobicContact CG2-CE2 3.44Å; I108-F112 VanDerWaalsContact CG2-CE2 3.44Å; I108-F112 HydrophobicContact CG2-CZ 4.48Å; I108-F112 WeakPolarHBondContact O-CD2 3.49Å; I108-F112 PolarHBondContact O-N 3.1Å; I109-F112 PolarHBondContact O-N 3.19Å; F112-S115 PolarHBondContact O-N 3.46Å; F112-F116 WeakPolarHBondContact O-CB 3.23Å; F112-F116 PolarHBondContact O-N 3.43Å
113	L	98	Very high	97.3	Very high	70 Å²	70	64.8 Å²	64.8	37%	0.366	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-48	173.7	-69	172.9	0	0	0	110.8	W50 I109 L110 S115 F116 Y117	W50-L113 HydrophobicContact CE3-CB 4.13Å; W50-L113 HydrophobicContact CH2-CB 4.01Å; W50-L113 HydrophobicContact CH2-CD1 4.16Å; W50-L113 HydrophobicContact CZ3-CB 3.57Å; W50-L113 HydrophobicContact CZ3-CD1 4.1Å; W50-L113 HydrophobicContact CZ3-CG 4.45Å; I109-L113 HydrophobicContact CG2-CD1 4.16Å; I109-L113 WeakPolarHBondContact O-CG 3.49Å; I109-L113 PolarHBondContact O-N 3.12Å; L110-L113 PolarHBondContact O-N 3Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.02Å; L113-F116 PolarHBondContact O-N 3.14Å; L113-Y117 HydrophobicContact CD2-CE2 4.49Å; L113-Y117 VanDerWaalsContact O-CD2 3.23Å; L113-Y117 WeakPolarHBondContact O-CD2 3.32Å; L113-Y117 PolarHBondContact O-N 3.39Å
114	A	97.7	Very high	97.4	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.8	-45.9	177.9	0	0	0	0	0	111.6	W50 N54 L110 Y111 F116 Y117 T118	W50-A114 HydrophobicContact CB-CB 4.25Å; N54-A114 HydrophobicContact CB-CB 4.14Å; L110-A114 WeakPolarHBondContact O-CB 3.3Å; L110-A114 PolarHBondContact O-N 3.5Å; Y111-A114 PolarHBondContact O-N 3.36Å; A114-F116 VanDerWaalsContact C-N 3.33Å; A114-F116 PolarHBondContact O-N 2.84Å; A114-Y117 PolarHBondContact O-N 3.35Å; A114-T118 WeakPolarHBondContact O-CB 3.23Å; A114-T118 WeakPolarHBondContact O-CG2 3.26Å; A114-T118 PolarHBondContact O-N 3.05Å; A114-T118 PolarHBondContact O-OG1 2.89Å
115	S	97.5	Very high	97.5	Very high	3 Å²	3	68.6 Å²	68.6	2%	0.021	33%	0.329	C	S	.	.	H	α-helix	trans	-60.5	-41	178	-58.4	0	0	0	0	112.5	Y111 F112 L113 T118 K119 Y120	Y111-S115 WeakPolarHBondContact O-CB 3.05Å; Y111-S115 PolarHBondContact O-N 3.39Å; Y111-S115 PolarHBondContact O-OG 3.16Å; F112-S115 PolarHBondContact O-N 3.46Å; L113-S115 VanDerWaalsContact C-N 3.34Å; L113-S115 PolarHBondContact O-N 3.02Å; S115-T118 PolarHBondContact O-OG1 3.12Å; S115-K119 PolarHBondContact O-N 3.18Å; S115-Y120 PolarHBondContact O-N 2.9Å
116	F	97.8	Very high	97.5	Very high	125 Å²	125	68.8 Å²	68.8	55%	0.548	33%	0.334	S	S	.	.	H	α-helix	trans	-64.3	-49.7	176.8	180	-98.6	0	0	0	111.6	F112 L113 A114 T118 K119	F112-F116 WeakPolarHBondContact O-CB 3.23Å; F112-F116 PolarHBondContact O-N 3.43Å; L113-F116 PolarHBondContact O-N 3.14Å; A114-F116 VanDerWaalsContact C-N 3.33Å; A114-F116 PolarHBondContact O-N 2.84Å; F116-T118 VanDerWaalsContact C-N 3.33Å; F116-T118 PolarHBondContact O-N 2.87Å; F116-K119 PolarHBondContact O-N 3.48Å
117	Y	97.6	Very high	97.6	Very high	104 Å²	104	71.7 Å²	71.7	41%	0.408	35%	0.347	S	S	.	.	H	α-helix	trans	-74.8	-20.8	-178.2	-76.7	-73.7	0	0	0	114	W50 L113 A114	W50-Y117 AromaticContact CD1-CG 3.65Å; W50-Y117 AromaticContact CD2-CD2 3.81Å; W50-Y117 HydrophobicContact CD2-CD2 3.81Å; W50-Y117 HydrophobicContact CD2-CG 4.21Å; W50-Y117 AromaticContact CE2-CD2 3.23Å; W50-Y117 AromaticContact CE2-CE2 3.71Å; W50-Y117 AromaticContact CE2-CG 3.65Å; W50-Y117 HydrophobicContact CE3-CD2 4.44Å; W50-Y117 HydrophobicContact CG-CD2 4.29Å; W50-Y117 HydrophobicContact CG-CG 4.21Å; W50-Y117 HydrophobicContact CH2-CD2 4.12Å; W50-Y117 HydrophobicContact CH2-CE2 4.04Å; W50-Y117 AromaticContact CZ2-CD2 3.41Å; W50-Y117 HydrophobicContact CZ2-CD2 3.41Å; W50-Y117 VanDerWaalsContact CZ2-CD2 3.41Å; W50-Y117 AromaticContact CZ2-CE2 3.37Å; W50-Y117 HydrophobicContact CZ2-CE2 3.37Å; W50-Y117 HydrophobicContact CZ2-CG 4.21Å; W50-Y117 AromaticContact NE1-CD1 3.77Å; W50-Y117 AromaticContact NE1-CD2 3.39Å; W50-Y117 AromaticContact NE1-CG 3.26Å; W50-Y117 VanDerWaalsContact NE1-CG 3.26Å; L113-Y117 HydrophobicContact CD2-CE2 4.49Å; L113-Y117 VanDerWaalsContact O-CD2 3.23Å; L113-Y117 WeakPolarHBondContact O-CD2 3.32Å; L113-Y117 PolarHBondContact O-N 3.39Å; A114-Y117 PolarHBondContact O-N 3.35Å
118	T	97.3	Very high	97.6	Very high	4 Å²	4	71.7 Å²	71.7	3%	0.025	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	5.5	169.3	65.5	0	0	0	0	112.5	P47 T51 A114 S115 F116 Y120 D121 H124	P47-T118 HydrophobicContact CB-CG2 3.96Å; P47-T118 WeakPolarHBondContact O-CG2 3.35Å; T51-T118 WeakPolarHBondContact OG1-CG2 3.48Å; A114-T118 WeakPolarHBondContact O-CB 3.23Å; A114-T118 WeakPolarHBondContact O-CG2 3.26Å; A114-T118 PolarHBondContact O-N 3.05Å; A114-T118 PolarHBondContact O-OG1 2.89Å; S115-T118 PolarHBondContact O-OG1 3.12Å; F116-T118 VanDerWaalsContact C-N 3.33Å; F116-T118 PolarHBondContact O-N 2.87Å; T118-Y120 PolarHBondContact O-N 2.72Å; T118-Y120 VanDerWaalsContact O-N 3.12Å; T118-D121 WeakPolarHBondContact O-CB 3.44Å; T118-D121 PolarHBondContact O-N 3.2Å; T118-H124 HydrophobicContact CG2-CB 3.64Å
119	K	96.4	Very high	97.6	Very high	181 Å²	181	71 Å²	71	79%	0.787	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.7	33.2	-179.7	-55.1	178.6	-178.8	177.3	0	112.9	S115 F116 D121	S115-K119 PolarHBondContact O-N 3.18Å; F116-K119 PolarHBondContact O-N 3.48Å; K119-D121 PolarHBondContact O-N 3.06Å; K119-D121 VanDerWaalsContact O-N 3.16Å
120	Y	94.1	Very high	97.6	Very high	150 Å²	150	69.5 Å²	69.5	59%	0.588	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	25.6	-177.5	-49.2	-86.4	0	0	0	114.3	S115 T118 T122	S115-Y120 PolarHBondContact O-N 2.9Å; T118-Y120 PolarHBondContact O-N 2.72Å; T118-Y120 VanDerWaalsContact O-N 3.12Å; Y120-T122 PolarHBondContact O-N 3.05Å
121	D	97.4	Very high	97.6	Very high	71 Å²	71	69.6 Å²	69.6	38%	0.38	35%	0.348	S	S	.	.			trans	-52.8	133.9	170.5	174.6	-94.5	0	0	0	110.7	T118 K119 T123 H124 F125	T118-D121 WeakPolarHBondContact O-CB 3.44Å; T118-D121 PolarHBondContact O-N 3.2Å; K119-D121 PolarHBondContact O-N 3.06Å; K119-D121 VanDerWaalsContact O-N 3.16Å; D121-T123 VanDerWaalsContact C-N 3.31Å; D121-T123 PolarHBondContact O-N 2.75Å; D121-T123 VanDerWaalsContact OD1-CB 3.29Å; D121-T123 WeakPolarHBondContact OD1-CB 3.44Å; D121-T123 PolarHBondContact OD1-N 2.69Å; D121-H124 HydrophobicContact CB-CB 4.43Å; D121-H124 PolarHBondContact O-N 3.09Å; D121-H124 IonicContact OD1-CD2 3.69Å; D121-H124 PolarHBondContact OD1-CD2 3.36Å; D121-H124 IonicContact OD1-CG 2.96Å; D121-H124 PolarHBondContact OD1-N 3.47Å; D121-F125 VanDerWaalsContact O-CB 3.24Å; D121-F125 WeakPolarHBondContact O-CB 3.33Å; D121-F125 PolarHBondContact O-N 2.86Å
122	T	96.9	Very high	97.6	Very high	105 Å²	105	69.3 Å²	69.3	64%	0.644	35%	0.348	S	S	*	.	H	α-helix	trans	-62.2	-38	-171.3	-51.5	0	0	0	0	112.5	Y120 F125 V126	Y120-T122 PolarHBondContact O-N 3.05Å; T122-F125 PolarHBondContact O-N 3.13Å; T122-V126 WeakPolarHBondContact O-CG2 3.15Å; T122-V126 PolarHBondContact O-N 2.99Å
123	T	97.1	Very high	97.5	Very high	92 Å²	92	67 Å²	67	56%	0.564	34%	0.341	S	S	*	.	H	α-helix	trans	-67	-50.4	-178.3	-52.9	0	0	0	0	110	D121 F125 V126 I127	D121-T123 VanDerWaalsContact C-N 3.31Å; D121-T123 PolarHBondContact O-N 2.75Å; D121-T123 VanDerWaalsContact OD1-CB 3.29Å; D121-T123 WeakPolarHBondContact OD1-CB 3.44Å; D121-T123 PolarHBondContact OD1-N 2.69Å; T123-F125 VanDerWaalsContact C-N 3.32Å; T123-F125 PolarHBondContact O-N 2.89Å; T123-V126 PolarHBondContact O-N 2.8Å; T123-I127 HydrophobicContact CG2-CD1 4.07Å; T123-I127 WeakPolarHBondContact O-CG1 3.12Å; T123-I127 PolarHBondContact O-N 2.94Å
124	H	97.9	Very high	97.3	Very high	37 Å²	37	66 Å²	66	17%	0.171	34%	0.341	C	S	.	.	H	α-helix	trans	-62.4	-40.9	177.1	-71.3	-68.8	0	0	0	112	T51 T118 D121 I127 N128	T51-H124 PolarHBondContact OG1-ND1 3.31Å; T118-H124 HydrophobicContact CG2-CB 3.64Å; D121-H124 HydrophobicContact CB-CB 4.43Å; D121-H124 PolarHBondContact O-N 3.09Å; D121-H124 IonicContact OD1-CD2 3.69Å; D121-H124 PolarHBondContact OD1-CD2 3.36Å; D121-H124 IonicContact OD1-CG 2.96Å; D121-H124 PolarHBondContact OD1-N 3.47Å; H124-I127 PolarHBondContact O-N 2.9Å; H124-N128 WeakPolarHBondContact O-CB 3.1Å; H124-N128 PolarHBondContact O-N 2.87Å; H124-N128 PolarHBondContact O-ND2 2.87Å
125	F	97.4	Very high	97.2	Very high	87 Å²	87	66 Å²	66	38%	0.382	34%	0.341	S	S	.	.	H	α-helix	trans	-58	-54.6	177.9	-178.1	-97.1	0	0	0	111.3	Y111 D121 T122 T123 I127 N128 T129	Y111-F125 WeakPolarHBondContact OH-CE2 3.41Å; D121-F125 VanDerWaalsContact O-CB 3.24Å; D121-F125 WeakPolarHBondContact O-CB 3.33Å; D121-F125 PolarHBondContact O-N 2.86Å; T122-F125 PolarHBondContact O-N 3.13Å; T123-F125 VanDerWaalsContact C-N 3.32Å; T123-F125 PolarHBondContact O-N 2.89Å; F125-I127 VanDerWaalsContact C-N 3.34Å; F125-I127 PolarHBondContact O-N 3.29Å; F125-N128 PolarHBondContact O-N 3.45Å; F125-T129 WeakPolarHBondContact O-CB 3.32Å; F125-T129 PolarHBondContact O-N 3.08Å; F125-T129 PolarHBondContact O-OG1 3.42Å
126	V	98.3	Very high	97.1	Very high	88 Å²	88	67.6 Å²	67.6	53%	0.533	35%	0.349	S	S	.	.	H	α-helix	trans	-58.2	-45.3	-179.1	171.6	0	0	0	0	111.6	T122 T123 T129 A130	T122-V126 WeakPolarHBondContact O-CG2 3.15Å; T122-V126 PolarHBondContact O-N 2.99Å; T123-V126 PolarHBondContact O-N 2.8Å; V126-T129 PolarHBondContact O-N 3.43Å; V126-A130 WeakPolarHBondContact O-CB 3.48Å; V126-A130 PolarHBondContact O-N 3.4Å
127	I	98.4	Very high	96.9	Very high	78 Å²	78	65.3 Å²	65.3	40%	0.4	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-47.7	178.5	-67	168.5	0	0	0	110.8	T51 V55 T123 H124 F125 T129 A130 S131	T51-I127 HydrophobicContact CG2-CB 4.44Å; T51-I127 HydrophobicContact CG2-CG2 3.87Å; V55-I127 HydrophobicContact CG2-CG2 3.73Å; T123-I127 HydrophobicContact CG2-CD1 4.07Å; T123-I127 WeakPolarHBondContact O-CG1 3.12Å; T123-I127 PolarHBondContact O-N 2.94Å; H124-I127 PolarHBondContact O-N 2.9Å; F125-I127 VanDerWaalsContact C-N 3.34Å; F125-I127 PolarHBondContact O-N 3.29Å; I127-T129 PolarHBondContact O-N 3.32Å; I127-A130 PolarHBondContact O-N 3.23Å; I127-S131 VanDerWaalsContact O-CB 3.22Å; I127-S131 WeakPolarHBondContact O-CB 3.44Å; I127-S131 PolarHBondContact O-N 2.89Å
128	N	98.2	Very high	96.6	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.8	-38	-178.9	-74.9	-35.6	0	0	0	111.9	T51 N54 Y111 H124 F125 L132	T51-N128 PolarHBondContact OG1-ND2 2.89Å; N54-N128 WeakPolarHBondContact ND2-CB 3.42Å; N54-N128 PolarHBondContact ND2-OD1 3.15Å; Y111-N128 HydrophobicContact CD2-CB 3.77Å; Y111-N128 HydrophobicContact CE2-CB 3.77Å; H124-N128 WeakPolarHBondContact O-CB 3.1Å; H124-N128 PolarHBondContact O-N 2.87Å; H124-N128 PolarHBondContact O-ND2 2.87Å; F125-N128 PolarHBondContact O-N 3.45Å; N128-L132 WeakPolarHBondContact O-CB 3.31Å; N128-L132 PolarHBondContact O-N 3.22Å
129	T	98.2	Very high	96.4	Very high	35 Å²	35	62.2 Å²	62.2	22%	0.215	33%	0.333	C	S	.	.	H	α-helix	trans	-68.6	-47.8	177.2	-52.9	0	0	0	0	110.8	Y111 F125 V126 I127 S131 L132 L133	Y111-T129 PolarHBondContact OH-OG1 2.99Å; F125-T129 WeakPolarHBondContact O-CB 3.32Å; F125-T129 PolarHBondContact O-N 3.08Å; F125-T129 PolarHBondContact O-OG1 3.42Å; V126-T129 PolarHBondContact O-N 3.43Å; I127-T129 PolarHBondContact O-N 3.32Å; T129-S131 VanDerWaalsContact C-N 3.29Å; T129-S131 PolarHBondContact O-N 3.14Å; T129-L132 PolarHBondContact O-N 2.8Å; T129-L132 VanDerWaalsContact O-N 3.16Å; T129-L133 HydrophobicContact CG2-CD1 4.15Å; T129-L133 HydrophobicContact CG2-CG 4.33Å; T129-L133 WeakPolarHBondContact O-CG 3.4Å; T129-L133 PolarHBondContact O-N 3.15Å
130	A	98.1	Very high	96	Very high	60 Å²	60	57.6 Å²	57.6	50%	0.496	32%	0.317	S	S	.	.	H	α-helix	trans	-58.8	-44.2	177.9	0	0	0	0	0	111.3	V126 I127 L133 S134	V126-A130 WeakPolarHBondContact O-CB 3.48Å; V126-A130 PolarHBondContact O-N 3.4Å; I127-A130 PolarHBondContact O-N 3.23Å; A130-L133 PolarHBondContact O-N 3.26Å; A130-S134 PolarHBondContact O-N 3.31Å; A130-S134 VanDerWaalsContact O-N 3.13Å
131	S	97.9	Very high	95.7	Very high	16 Å²	16	52.7 Å²	52.7	11%	0.112	30%	0.303	C	S	.	.	H	α-helix	trans	-59.1	-47.1	173.8	173.5	0	0	0	0	112.3	N58 I127 T129 L133 S134	N58-S131 VanDerWaalsContact CB-OG 3.23Å; N58-S131 WeakPolarHBondContact CB-OG 3.21Å; N58-S131 PolarHBondContact ND2-OG 3.22Å; I127-S131 VanDerWaalsContact O-CB 3.22Å; I127-S131 WeakPolarHBondContact O-CB 3.44Å; I127-S131 PolarHBondContact O-N 2.89Å; T129-S131 VanDerWaalsContact C-N 3.29Å; T129-S131 PolarHBondContact O-N 3.14Å; S131-L133 PolarHBondContact O-N 3.34Å; S131-S134 WeakPolarHBondContact O-CB 3.14Å; S131-S134 PolarHBondContact O-N 3.42Å; S131-S134 PolarHBondContact O-OG 3Å
132	L	98.3	Very high	95.1	Very high	16 Å²	16	56.3 Å²	56.3	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-62.5	-44.3	177.7	179.6	66.1	0	0	0	112.1	P107 I108 Y111 N128 T129 S134 V135 L136	P107-L132 HydrophobicContact CB-CD1 3.87Å; P107-L132 HydrophobicContact CG-CD1 4.5Å; I108-L132 HydrophobicContact CG1-CD1 4.24Å; Y111-L132 HydrophobicContact CD1-CD2 3.83Å; Y111-L132 HydrophobicContact CD2-CB 4.23Å; Y111-L132 HydrophobicContact CD2-CD2 4.05Å; Y111-L132 HydrophobicContact CE1-CD2 4.34Å; Y111-L132 HydrophobicContact CG-CD2 3.66Å; N128-L132 WeakPolarHBondContact O-CB 3.31Å; N128-L132 PolarHBondContact O-N 3.22Å; T129-L132 PolarHBondContact O-N 2.8Å; T129-L132 VanDerWaalsContact O-N 3.16Å; L132-S134 VanDerWaalsContact C-N 3.26Å; L132-S134 PolarHBondContact O-N 3.14Å; L132-V135 HydrophobicContact CD1-CG2 4.42Å; L132-V135 WeakPolarHBondContact O-CG2 3.5Å; L132-V135 PolarHBondContact O-N 3.26Å; L132-V135 VanDerWaalsContact O-N 3.15Å; L132-L136 HydrophobicContact CD1-CD1 3.74Å; L132-L136 HydrophobicContact CD1-CD2 4.39Å; L132-L136 HydrophobicContact CD1-CG 3.8Å; L132-L136 HydrophobicContact CD2-CD1 3.96Å; L132-L136 HydrophobicContact CG-CD1 3.63Å; L132-L136 HydrophobicContact CG-CG 3.99Å; L132-L136 WeakPolarHBondContact O-CG 3.31Å; L132-L136 PolarHBondContact O-N 3.28Å
133	L	97.1	Very high	94.4	Very high	85 Å²	85	53.3 Å²	53.3	45%	0.445	30%	0.297	S	S	.	.	H	α-helix	trans	-61.7	-36.4	-179.9	-70.6	178.1	0	0	0	111.8	T129 A130 S131 V135 L136 I137	T129-L133 HydrophobicContact CG2-CD1 4.15Å; T129-L133 HydrophobicContact CG2-CG 4.33Å; T129-L133 WeakPolarHBondContact O-CG 3.4Å; T129-L133 PolarHBondContact O-N 3.15Å; A130-L133 PolarHBondContact O-N 3.26Å; S131-L133 PolarHBondContact O-N 3.34Å; L133-V135 PolarHBondContact O-N 3.41Å; L133-L136 PolarHBondContact O-N 3.3Å; L133-I137 HydrophobicContact CB-CD1 4.05Å; L133-I137 WeakPolarHBondContact O-CB 3.01Å; L133-I137 VanDerWaalsContact O-CG1 3.28Å; L133-I137 WeakPolarHBondContact O-CG1 3.33Å; L133-I137 PolarHBondContact O-N 3.17Å
134	S	94.3	Very high	93.7	Very high	50 Å²	50	52.3 Å²	52.3	35%	0.35	29%	0.286	S	S	.	.	H	α-helix	trans	-57.7	-30.4	177.4	79.6	0	0	0	0	113.4	Y62 A130 S131 L132 P138	Y62-S134 WeakPolarHBondContact CD2-O 3.41Å; A130-S134 PolarHBondContact O-N 3.31Å; A130-S134 VanDerWaalsContact O-N 3.13Å; S131-S134 WeakPolarHBondContact O-CB 3.14Å; S131-S134 PolarHBondContact O-N 3.42Å; S131-S134 PolarHBondContact O-OG 3Å; L132-S134 VanDerWaalsContact C-N 3.26Å; L132-S134 PolarHBondContact O-N 3.14Å; S134-P138 WeakPolarHBondContact O-CD 3.43Å; S134-P138 VanDerWaalsContact O-CG 3.32Å; S134-P138 WeakPolarHBondContact O-CG 3.3Å
135	V	95.3	Very high	92.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-101.2	-22.4	179.8	-67.1	0	0	0	0	114.3	N58 M61 P107 L132 L133 K139	N58-V135 HydrophobicContact CB-CG1 3.88Å; N58-V135 HydrophobicContact CB-CG2 4.15Å; N58-V135 WeakPolarHBondContact O-CG1 3.45Å; M61-V135 HydrophobicContact CB-CG1 4.23Å; P107-V135 HydrophobicContact CB-CG2 4.18Å; P107-V135 HydrophobicContact CG-CG2 4.45Å; L132-V135 HydrophobicContact CD1-CG2 4.42Å; L132-V135 WeakPolarHBondContact O-CG2 3.5Å; L132-V135 PolarHBondContact O-N 3.26Å; L132-V135 VanDerWaalsContact O-N 3.15Å; L133-V135 PolarHBondContact O-N 3.41Å; V135-K139 VanDerWaalsContact O-CD 3.26Å; V135-K139 WeakPolarHBondContact O-CD 3.01Å; V135-K139 VanDerWaalsContact O-CE 3.32Å; V135-K139 WeakPolarHBondContact O-CE 3.2Å; V135-K139 VanDerWaalsContact O-CG 3.3Å; V135-K139 WeakPolarHBondContact O-CG 3.49Å
136	L	95.5	Very high	91.6	Very high	36 Å²	36	51.7 Å²	51.7	19%	0.188	30%	0.3	C	S	.	.	H	α-helix	trans	-85.3	-40.2	178.8	-71	-171.6	0	0	0	112.5	T104 P107 I108 L132 L133 K139 L140	T104-L136 HydrophobicContact CG2-CD2 4.03Å; P107-L136 HydrophobicContact CG-CD2 4.34Å; I108-L136 HydrophobicContact CD1-CD1 4.07Å; I108-L136 HydrophobicContact CD1-CD2 4.18Å; I108-L136 HydrophobicContact CG1-CD1 3.86Å; I108-L136 HydrophobicContact CG1-CD2 4.13Å; L132-L136 HydrophobicContact CD1-CD1 3.74Å; L132-L136 HydrophobicContact CD1-CD2 4.39Å; L132-L136 HydrophobicContact CD1-CG 3.8Å; L132-L136 HydrophobicContact CD2-CD1 3.96Å; L132-L136 HydrophobicContact CG-CD1 3.63Å; L132-L136 HydrophobicContact CG-CG 3.99Å; L132-L136 WeakPolarHBondContact O-CG 3.31Å; L132-L136 PolarHBondContact O-N 3.28Å; L133-L136 PolarHBondContact O-N 3.3Å; L136-K139 WeakPolarHBondContact O-CB 3.08Å; L136-K139 PolarHBondContact O-N 2.98Å; L136-L140 PolarHBondContact O-N 3.11Å
137	I	93.8	Very high	90.3	Very high	76 Å²	76	50.6 Å²	50.6	39%	0.39	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-55.9	-50.5	-178.8	-68.5	169.6	0	0	0	110.4	L133 K139 L140 L143	L133-I137 HydrophobicContact CB-CD1 4.05Å; L133-I137 WeakPolarHBondContact O-CB 3.01Å; L133-I137 VanDerWaalsContact O-CG1 3.28Å; L133-I137 WeakPolarHBondContact O-CG1 3.33Å; L133-I137 PolarHBondContact O-N 3.17Å; I137-K139 PolarHBondContact O-N 2.96Å; I137-K139 VanDerWaalsContact O-N 3.08Å; I137-L140 WeakPolarHBondContact O-CB 3.35Å; I137-L140 WeakPolarHBondContact O-CG 3.45Å; I137-L140 PolarHBondContact O-N 3.38Å; I137-L140 VanDerWaalsContact O-N 3.1Å; I137-L143 HydrophobicContact CG2-CD1 3.46Å; I137-L143 VanDerWaalsContact CG2-CD1 3.46Å; I137-L143 VanDerWaalsContact O-CD1 3.28Å; I137-L143 WeakPolarHBondContact O-CD1 3.36Å
138	P	90.9	Very high	88.6	Confident	35 Å²	35	51.3 Å²	51.3	23%	0.227	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-67	-13	-179.7	-19.5	34	0	0	0	114.5	Y62 S134	Y62-P138 HydrophobicContact CE2-CG 4.26Å; S134-P138 WeakPolarHBondContact O-CD 3.43Å; S134-P138 VanDerWaalsContact O-CG 3.32Å; S134-P138 WeakPolarHBondContact O-CG 3.3Å
139	K	92.3	Very high	86.7	Confident	9 Å²	9	58.8 Å²	58.8	4%	0.039	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-85.3	-13.1	176.9	-68.2	176.7	-175.7	159.7	0	113.3	W87 F103 V135 L136 I137	W87-K139 HydrophobicContact CD2-CG 4.04Å; W87-K139 HydrophobicContact CE3-CG 4.34Å; W87-K139 HydrophobicContact CH2-CB 4.26Å; W87-K139 HydrophobicContact CH2-CD 4.03Å; W87-K139 HydrophobicContact CH2-CG 3.99Å; W87-K139 HydrophobicContact CZ2-CB 3.63Å; W87-K139 HydrophobicContact CZ2-CD 4.21Å; W87-K139 HydrophobicContact CZ2-CG 3.68Å; W87-K139 HydrophobicContact CZ3-CD 4.25Å; W87-K139 HydrophobicContact CZ3-CG 4.32Å; F103-K139 PolarHBondContact O-NZ 3.29Å; V135-K139 VanDerWaalsContact O-CD 3.26Å; V135-K139 WeakPolarHBondContact O-CD 3.01Å; V135-K139 VanDerWaalsContact O-CE 3.32Å; V135-K139 WeakPolarHBondContact O-CE 3.2Å; V135-K139 VanDerWaalsContact O-CG 3.3Å; V135-K139 WeakPolarHBondContact O-CG 3.49Å; L136-K139 WeakPolarHBondContact O-CB 3.08Å; L136-K139 PolarHBondContact O-N 2.98Å; I137-K139 PolarHBondContact O-N 2.96Å; I137-K139 VanDerWaalsContact O-N 3.08Å
140	L	89.3	Confident	84.5	Confident	84 Å²	84	58.9 Å²	58.9	44%	0.44	34%	0.337	S	S	.	.	S	Bend	trans	-60.8	132.6	179.3	-66.7	177.4	0	0	0	110.5	L136 I137 Q142 L143	L136-L140 PolarHBondContact O-N 3.11Å; I137-L140 WeakPolarHBondContact O-CB 3.35Å; I137-L140 WeakPolarHBondContact O-CG 3.45Å; I137-L140 PolarHBondContact O-N 3.38Å; I137-L140 VanDerWaalsContact O-N 3.1Å; L140-Q142 PolarHBondContact O-N 2.78Å; L140-Q142 VanDerWaalsContact O-N 3.12Å; L140-L143 PolarHBondContact O-N 3.26Å
141	P	86.7	Confident	82.5	Confident	46 Å²	46	61.3 Å²	61.3	30%	0.299	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-55	-32.6	179.6	-27.4	34.3	0	0	0	113.7	Q95 F96 L143 H144	Q95-P141 HydrophobicContact CG-CB 4.36Å; F96-P141 HydrophobicContact CE1-CG 4.36Å; F96-P141 HydrophobicContact CE2-CG 4.11Å; F96-P141 HydrophobicContact CZ-CG 3.67Å; P141-L143 PolarHBondContact O-N 2.53Å; P141-H144 VanDerWaalsContact O-CB 3.26Å; P141-H144 WeakPolarHBondContact O-CB 3.08Å; P141-H144 PolarHBondContact O-N 3.23Å
142	Q	85.8	Confident	80.2	Confident	148 Å²	148	61.3 Å²	61.3	69%	0.692	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-64.9	-21.5	178.2	-59.5	86.9	-18.8	0	0	113.1	L140	L140-Q142 PolarHBondContact O-N 2.78Å; L140-Q142 VanDerWaalsContact O-N 3.12Å
143	L	82.8	Confident	78.1	Confident	42 Å²	42	67.9 Å²	67.9	22%	0.22	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-102.9	5.9	-179.9	-63.5	-178.7	0	0	0	112.6	I137 L140 P141 G145 V146 I148	I137-L143 HydrophobicContact CG2-CD1 3.46Å; I137-L143 VanDerWaalsContact CG2-CD1 3.46Å; I137-L143 VanDerWaalsContact O-CD1 3.28Å; I137-L143 WeakPolarHBondContact O-CD1 3.36Å; L140-L143 PolarHBondContact O-N 3.26Å; P141-L143 PolarHBondContact O-N 2.53Å; L143-G145 PolarHBondContact O-N 3.45Å; L143-V146 HydrophobicContact CD2-CB 4.3Å; L143-V146 HydrophobicContact CD2-CG1 4.31Å; L143-V146 HydrophobicContact CD2-CG2 4.42Å; L143-V146 WeakPolarHBondContact O-CB 3.18Å; L143-V146 PolarHBondContact O-N 2.81Å; L143-V146 VanDerWaalsContact O-N 3.07Å; L143-I148 HydrophobicContact CD1-CD1 3.8Å; L143-I148 HydrophobicContact CD2-CD1 3.75Å; L143-I148 HydrophobicContact CG-CD1 4.3Å
144	H	80.8	Confident	75.9	Confident	70 Å²	70	74.7 Å²	74.7	32%	0.324	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	125.6	175.2	-169.6	80.8	0	0	0	110.7	Q95 P141 V146	Q95-H144 PolarHBondContact NE2-ND1 3.39Å; P141-H144 VanDerWaalsContact O-CB 3.26Å; P141-H144 WeakPolarHBondContact O-CB 3.08Å; P141-H144 PolarHBondContact O-N 3.23Å; H144-V146 PolarHBondContact O-N 3.14Å
145	G	74.6	Confident	75	Confident	40 Å²	40	75.9 Å²	75.9	41%	0.412	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	-5.9	-175.4	0	0	0	0	0	114.4	E88 L143 R147	E88-G145 WeakPolarHBondContact OE1-CA 3.42Å; E88-G145 PolarHBondContact OE1-N 3.12Å; L143-G145 PolarHBondContact O-N 3.45Å; G145-R147 WeakPolarHBondContact O-CD 3.22Å
146	V	77	Confident	73.9	Confident	71 Å²	71	79.9 Å²	79.9	43%	0.43	41%	0.411	S	S	.	.			trans	-81.2	132.9	-178.5	-177	0	0	0	0	110	L143 H144 I148	L143-V146 HydrophobicContact CD2-CB 4.3Å; L143-V146 HydrophobicContact CD2-CG1 4.31Å; L143-V146 HydrophobicContact CD2-CG2 4.42Å; L143-V146 WeakPolarHBondContact O-CB 3.18Å; L143-V146 PolarHBondContact O-N 2.81Å; L143-V146 VanDerWaalsContact O-N 3.07Å; H144-V146 PolarHBondContact O-N 3.14Å; V146-I148 HydrophobicContact CG1-CG1 3.76Å
147	R	71.9	Confident	72.7	Confident	65 Å²	65	82.3 Å²	82.3	25%	0.245	42%	0.424	C	S	.	.			trans	-105.8	74.8	-178.1	-49.2	-40.5	-153.3	-167	-10.2	109.6	L83 E88 G145 N152	L83-R147 PolarHBondContact O-NH2 3.17Å; E88-R147 IonicContact OE1-CZ 3.96Å; E88-R147 IonicContact OE1-NH1 3.54Å; E88-R147 PolarHBondContact OE1-NH1 3.16Å; E88-R147 IonicContact OE1-NH2 2.92Å; E88-R147 IonicContact OE2-CZ 3.36Å; E88-R147 IonicContact OE2-NH1 3.42Å; E88-R147 PolarHBondContact OE2-NH1 3.42Å; E88-R147 IonicContact OE2-NH2 2.65Å; E88-R147 PolarHBondContact OE2-NH2 2.45Å; G145-R147 WeakPolarHBondContact O-CD 3.22Å; R147-N152 HydrophobicContact CB-CB 3.94Å; R147-N152 VanDerWaalsContact CD-CB 3.42Å; R147-N152 HydrophobicContact CG-CB 3.75Å; R147-N152 WeakPolarHBondContact CG-O 3.37Å; R147-N152 PolarHBondContact NE-ND2 2.8Å; R147-N152 PolarHBondContact NH1-ND2 2.95Å; R147-N152 VanDerWaalsContact NH1-ND2 3.12Å; R147-N152 PolarHBondContact NH2-ND2 3.45Å
148	I	62.3	Low	71.5	Confident	93 Å²	93	82.7 Å²	82.7	48%	0.477	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-67.6	138.1	179	-43.4	-179.4	0	0	0	108.8	L143 V146 G150	L143-I148 HydrophobicContact CD1-CD1 3.8Å; L143-I148 HydrophobicContact CD2-CD1 3.75Å; L143-I148 HydrophobicContact CG-CD1 4.3Å; V146-I148 HydrophobicContact CG1-CG1 3.76Å; I148-G150 VanDerWaalsContact C-N 3.27Å; I148-G150 PolarHBondContact O-N 3Å
149	L	57.6	Low	70.3	Confident	157 Å²	157	85.7 Å²	85.7	82%	0.822	44%	0.438	S	S	*	.	G	3₁₀ helix	trans	63.6	15.2	-179	-53.4	177.6	0	0	0	116.5	I151	L149-I151 HydrophobicContact CB-CD1 4.29Å; L149-I151 HydrophobicContact CB-CG1 4.35Å; L149-I151 PolarHBondContact O-N 2.87Å; L149-I151 VanDerWaalsContact O-N 3.16Å
150	G	51.8	Low	68.8	Low	38 Å²	38	90.8 Å²	90.8	39%	0.392	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	72.1	6.4	173.4	0	0	0	0	0	115.6	I148 N152 K153	I148-G150 VanDerWaalsContact C-N 3.27Å; I148-G150 PolarHBondContact O-N 3Å; G150-N152 PolarHBondContact O-N 3.01Å; G150-K153 PolarHBondContact O-N 2.95Å
151	I	55.8	Low	67.4	Low	110 Å²	110	91.3 Å²	91.3	56%	0.564	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-1.2	178.4	-62.1	173.7	0	0	0	112.5	K69 L149	K69-I151 PolarHBondContact NZ-O 2.97Å; L149-I151 HydrophobicContact CB-CD1 4.29Å; L149-I151 HydrophobicContact CB-CG1 4.35Å; L149-I151 PolarHBondContact O-N 2.87Å; L149-I151 VanDerWaalsContact O-N 3.16Å
152	N	51.5	Low	65.9	Low	17 Å²	17	94.8 Å²	94.8	9%	0.091	48%	0.479	C	S	.	.	T	Hydrogen-bonded Turn	trans	-152.6	30.1	-172.9	-146.9	-6	0	0	0	113.6	K69 L83 R147 G150 Y154	K69-N152 VanDerWaalsContact CD-OD1 3.3Å; K69-N152 WeakPolarHBondContact CD-OD1 2.77Å; K69-N152 WeakPolarHBondContact CE-ND2 3.44Å; K69-N152 WeakPolarHBondContact CE-OD1 3.22Å; K69-N152 PolarHBondContact NZ-OD1 3.1Å; L83-N152 PolarHBondContact O-ND2 2.98Å; R147-N152 HydrophobicContact CB-CB 3.94Å; R147-N152 VanDerWaalsContact CD-CB 3.42Å; R147-N152 HydrophobicContact CG-CB 3.75Å; R147-N152 WeakPolarHBondContact CG-O 3.37Å; R147-N152 PolarHBondContact NE-ND2 2.8Å; R147-N152 PolarHBondContact NH1-ND2 2.95Å; R147-N152 VanDerWaalsContact NH1-ND2 3.12Å; R147-N152 PolarHBondContact NH2-ND2 3.45Å; G150-N152 PolarHBondContact O-N 3.01Å; N152-Y154 VanDerWaalsContact C-N 3.29Å; N152-Y154 PolarHBondContact O-N 3.39Å
153	K	54.1	Low	64.2	Low	154 Å²	154	90.3 Å²	90.3	67%	0.67	46%	0.461	S	S	*	.			trans	-75.9	-7.2	-177.3	-110.4	-174.3	178.5	-175.9	0	115.1	G150	G150-K153 PolarHBondContact O-N 2.95Å
154	Y	50.5	Low	62.5	Low	227 Å²	227	94.7 Å²	94.7	89%	0.89	48%	0.483	S	S	*	.			trans	-141.6	0	-173.6	-54.2	-72	0	0	0	111.5	L83 N152	L83-Y154 WeakPolarHBondContact CD2-O 3.21Å; L83-Y154 WeakPolarHBondContact CD2-OXT 3.41Å; N152-Y154 VanDerWaalsContact C-N 3.29Å; N152-Y154 PolarHBondContact O-N 3.39Å

Retrieved 154 of 154 residues in 152.5 ms (Link to these results)

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