A0A087XLS8_POEFO Loading...

Dolichyldiphosphatase

Required for efficient N-glycosylation. Necessary for maintaining optimal levels of dolichol-linked oligosaccharides. Hydrolyzes dolichyl pyrophosphate at a very high rate and dolichyl monophosphate at a much lower rate. Does not act on phosphatidate.

AlphaFold DB (A0A3B3UVE1), UniProt , Accession A0A087XLS8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 238 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	43.8	Very low	55.5	Low	183 Å²	183	98.9 Å²	98.9	90%	0.901	57%	0.567	S	S	*	*				0	-77.9	0	-80.9	-171.9	-76.6	0	0	113.1	L3 E4 E5	M1-L3 PolarHBondContact O-N 2.85Å; M1-E4 WeakPolarHBondContact CA-OE2 3.42Å; M1-E4 PolarHBondContact N-OE2 2.85Å; M1-E4 PolarHBondContact O-N 3.4Å; M1-E4 VanDerWaalsContact O-N 3.16Å; M1-E5 PolarHBondContact O-N 3.34Å
2	A	51.5	Low	56.7	Low	66 Å²	66	107 Å²	107	55%	0.545	58%	0.582	S	S	.	*	H	α-helix	trans	-61.9	-41.8	-176.8	0	0	0	0	0	114.6	E4 Q6	A2-E4 VanDerWaalsContact C-N 3.35Å; A2-Q6 PolarHBondContact O-N 3.2Å; A2-Q6 PolarHBondContact O-OE1 3.36Å
3	L	51.8	Low	58.3	Low	90 Å²	90	102.7 Å²	102.7	47%	0.471	55%	0.552	S	S	.	*	H	α-helix	trans	-68	-32.1	175.7	-108.5	149.1	0	0	0	113	M1 C7 P85	M1-L3 PolarHBondContact O-N 2.85Å; L3-C7 PolarHBondContact O-N 3.1Å; L3-C7 PolarHBondContact O-SG 2.75Å; L3-P85 HydrophobicContact CD2-CB 3.45Å; L3-P85 VanDerWaalsContact CD2-CB 3.45Å
4	E	50	Low	59.5	Low	135 Å²	135	101.1 Å²	101.1	63%	0.631	54%	0.539	S	S	*	.	H	α-helix	trans	-74.2	-37.3	177.9	-73.8	163.9	144.2	0	0	111.5	M1 A2 C7 S8	M1-E4 WeakPolarHBondContact CA-OE2 3.42Å; M1-E4 PolarHBondContact N-OE2 2.85Å; M1-E4 PolarHBondContact O-N 3.4Å; M1-E4 VanDerWaalsContact O-N 3.16Å; A2-E4 VanDerWaalsContact C-N 3.35Å; E4-C7 PolarHBondContact O-N 3.09Å; E4-S8 VanDerWaalsContact O-CB 3.32Å; E4-S8 WeakPolarHBondContact O-CB 3.35Å; E4-S8 PolarHBondContact O-N 3.27Å; E4-S8 PolarHBondContact O-OG 3.01Å
5	E	55.3	Low	60.7	Low	147 Å²	147	97.5 Å²	97.5	69%	0.687	53%	0.529	S	S	*	.	H	α-helix	trans	-62	-43.4	171.6	-83.4	-179.4	147.6	0	0	111.4	M1 C7 S8	M1-E5 PolarHBondContact O-N 3.34Å; E5-C7 VanDerWaalsContact C-N 3.32Å; E5-C7 PolarHBondContact O-N 3.5Å; E5-S8 PolarHBondContact O-N 3Å; E5-S8 PolarHBondContact O-OG 3.17Å
6	Q	60.5	Low	61.7	Low	121 Å²	121	92.3 Å²	92.3	57%	0.565	50%	0.5	S	S	*	.	H	α-helix	trans	-62.1	-33.4	178.7	-123	100.2	17.1	0	0	113.9	A2 L158	A2-Q6 PolarHBondContact O-N 3.2Å; A2-Q6 PolarHBondContact O-OE1 3.36Å; Q6-L158 HydrophobicContact CG-CD1 4.49Å; Q6-L158 HydrophobicContact CG-CD2 4.37Å
7	C	65.8	Low	62.2	Low	42 Å²	42	92.9 Å²	92.9	28%	0.284	51%	0.514	S	S	.	.	H	α-helix	trans	-86.6	-10.1	179.2	-54	0	0	0	0	113.4	L3 E4 E5 P85 C86	L3-C7 PolarHBondContact O-N 3.1Å; L3-C7 PolarHBondContact O-SG 2.75Å; E4-C7 PolarHBondContact O-N 3.09Å; E5-C7 VanDerWaalsContact C-N 3.32Å; E5-C7 PolarHBondContact O-N 3.5Å; C7-P85 PolarHBondContact SG-O 3.38Å; C7-C86 HydrophobicContact CB-CB 3.93Å; C7-C86 WeakPolarHBondContact CB-SG 3.44Å; C7-C86 VanDerWaalsContact SG-CA 3.57Å; C7-C86 WeakPolarHBondContact SG-CB 3.42Å; C7-C86 CovalentContact SG-SG 2.05Å; C7-C86 PolarHBondContact SG-SG 3Å
8	S	55.6	Low	62.6	Low	91 Å²	91	94.6 Å²	94.6	64%	0.636	53%	0.526	S	S	*	.	H	α-helix	trans	-85.7	-18.1	-168.3	65	0	0	0	0	115.8	E4 E5	E4-S8 VanDerWaalsContact O-CB 3.32Å; E4-S8 WeakPolarHBondContact O-CB 3.35Å; E4-S8 PolarHBondContact O-N 3.27Å; E4-S8 PolarHBondContact O-OG 3.01Å; E5-S8 PolarHBondContact O-N 3Å; E5-S8 PolarHBondContact O-OG 3.17Å
9	A	55.3	Low	63.3	Low	76 Å²	76	92.4 Å²	92.4	63%	0.628	52%	0.516	S	S	*	.	S	Bend	trans	-132.9	80.2	172.4	0	0	0	0	0	109.2	P11	A9-P11 WeakPolarHBondContact O-CD 3.44Å
10	P	57	Low	64.1	Low	83 Å²	83	93.4 Å²	93.4	54%	0.539	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-64.3	124.1	-172.5	23.4	-30.7	0	0	0	109.5
11	P	63.6	Low	64.8	Low	54 Å²	54	89.6 Å²	89.6	35%	0.351	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-58.7	153.3	169.3	25	-31.8	0	0	0	109	A9 W13 P24	A9-P11 WeakPolarHBondContact O-CD 3.44Å; P11-W13 HydrophobicContact CG-CZ2 4.26Å; P11-W13 PolarHBondContact O-N 2.8Å; P11-W13 PolarHBondContact O-NE1 2.82Å; P11-P24 HydrophobicContact CB-CB 3.99Å; P11-P24 HydrophobicContact CG-CB 3.8Å; P11-P24 HydrophobicContact CG-CG 4.09Å
12	R	70.7	Confident	66.7	Low	196 Å²	196	81.4 Å²	81.4	74%	0.74	46%	0.455	S	S	*	.	P	Polyproline II helix	trans	-61.8	117.3	172.2	-172.4	166.2	178.3	-161.6	6	107.9	E25	R12-E25 HydrophobicContact CB-CB 4.39Å; R12-E25 WeakPolarHBondContact CB-OE2 3.42Å; R12-E25 VanDerWaalsContact CD-OE2 3.22Å; R12-E25 WeakPolarHBondContact CD-OE2 3.32Å; R12-E25 WeakPolarHBondContact CG-OE2 3.31Å; R12-E25 IonicContact NE-OE2 3.21Å; R12-E25 WeakPolarHBondContact O-CB 3.45Å; R12-E25 PolarHBondContact O-N 3.36Å
13	W	76.6	Confident	68.2	Low	51 Å²	51	78.9 Å²	78.9	19%	0.193	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	137	-178.7	-64	94.8	0	0	0	110.4	P11 E22 P24 H90 L158	P11-W13 HydrophobicContact CG-CZ2 4.26Å; P11-W13 PolarHBondContact O-N 2.8Å; P11-W13 PolarHBondContact O-NE1 2.82Å; W13-E22 HydrophobicContact CB-CB 4.34Å; W13-E22 HydrophobicContact CE3-CB 4.17Å; W13-P24 HydrophobicContact CE3-CG 4.29Å; W13-P24 HydrophobicContact CH2-CG 4.07Å; W13-P24 HydrophobicContact CZ3-CG 3.75Å; W13-H90 AromaticContact CE3-CE1 3.77Å; W13-H90 AromaticContact CH2-CE1 3.63Å; W13-H90 AromaticContact CH2-NE2 3.99Å; W13-H90 AromaticContact CZ3-CE1 3.48Å; W13-H90 VanDerWaalsContact CZ3-CE1 3.48Å; W13-H90 WeakPolarHBondContact CZ3-CE1 3.46Å; W13-L158 HydrophobicContact CH2-CD1 4.34Å; W13-L158 HydrophobicContact CZ2-CD1 4.42Å
14	Q	75.3	Confident	69.7	Low	80 Å²	80	75.6 Å²	75.6	37%	0.374	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.7	168.3	-71.4	-173.5	-8.7	0	0	109.3	E22 F23 E25	Q14-E22 CarbonylContact O-C 3.6Å; Q14-E22 VanDerWaalsContact O-CA 3.3Å; Q14-E22 WeakPolarHBondContact O-CA 3.46Å; Q14-F23 HydrophobicContact CB-CE1 4.31Å; Q14-F23 HydrophobicContact CB-CE2 4.23Å; Q14-F23 HydrophobicContact CB-CZ 3.95Å; Q14-F23 PolarHBondContact N-O 2.7Å; Q14-F23 VanDerWaalsContact O-CD1 3.24Å; Q14-F23 WeakPolarHBondContact O-CD1 3.19Å; Q14-F23 WeakPolarHBondContact O-CE1 3.14Å; Q14-F23 PolarHBondContact O-N 2.99Å; Q14-E25 HydrophobicContact CG-CB 4.05Å; Q14-E25 HydrophobicContact CG-CG 4.22Å; Q14-E25 VanDerWaalsContact NE2-CD 3.27Å; Q14-E25 PolarHBondContact NE2-OE1 3.41Å
15	A	77.6	Confident	71.1	Confident	47 Å²	47	73.3 Å²	73.3	39%	0.388	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	143.6	177.9	0	0	0	0	0	111.2	S17 V21 E22	A15-S17 PolarHBondContact O-N 2.98Å; A15-V21 WeakPolarHBondContact CA-O 3.37Å; A15-E22 HydrophobicContact CB-CG 4.15Å
16	I	76.3	Confident	72.4	Confident	14 Å²	14	70 Å²	70	7%	0.072	41%	0.41	C	S	.	.			trans	-65.1	121.3	164.2	-60.3	176.8	0	0	0	107.7	V18 T19 H20 V21 F23 A34 Y35 L38	I16-V18 PolarHBondContact O-N 3.42Å; I16-T19 PolarHBondContact O-N 2.05Å; I16-H20 WeakPolarHBondContact O-CA 3.42Å; I16-H20 PolarHBondContact O-N 3.21Å; I16-V21 HydrophobicContact CD1-CB 4.36Å; I16-V21 PolarHBondContact N-O 3.31Å; I16-F23 HydrophobicContact CG1-CD1 4.29Å; I16-F23 HydrophobicContact CG1-CE1 3.97Å; I16-A34 HydrophobicContact CD1-CB 3.85Å; I16-Y35 HydrophobicContact CD1-CD1 4.02Å; I16-Y35 HydrophobicContact CD1-CD2 4.36Å; I16-Y35 HydrophobicContact CD1-CE1 3.95Å; I16-Y35 HydrophobicContact CD1-CE2 4.29Å; I16-Y35 HydrophobicContact CD1-CG 4.22Å; I16-Y35 HydrophobicContact CG2-CE1 4.33Å; I16-L38 HydrophobicContact CD1-CD1 4.29Å
17	S	70.5	Confident	73.6	Confident	104 Å²	104	66 Å²	66	73%	0.727	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.2	-169.4	54.7	0	0	0	0	115.2	A15	A15-S17 PolarHBondContact O-N 2.98Å
18	V	69.8	Low	74.8	Confident	122 Å²	122	70.6 Å²	70.6	74%	0.739	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-36.6	-177	179.8	0	0	0	0	112.5	I16	I16-V18 PolarHBondContact O-N 3.42Å
19	T	75.5	Confident	76.4	Confident	54 Å²	54	69.8 Å²	69.8	33%	0.331	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-3.2	-167.5	55.3	0	0	0	0	113.7	I16 V21 L38	I16-T19 PolarHBondContact O-N 2.05Å; T19-V21 PolarHBondContact O-N 3.49Å; T19-L38 HydrophobicContact CG2-CD1 3.98Å; T19-L38 HydrophobicContact CG2-CD2 3.75Å
20	H	79.1	Confident	78	Confident	112 Å²	112	66.2 Å²	66.2	52%	0.519	38%	0.375	S	S	.	.			trans	55.4	21.4	179.2	-62.1	-73	0	0	0	114.9	I16 E22 T92	I16-H20 WeakPolarHBondContact O-CA 3.42Å; I16-H20 PolarHBondContact O-N 3.21Å; H20-E22 PolarHBondContact O-N 3.16Å; H20-T92 HydrophobicContact CB-CG2 4Å; H20-T92 PolarHBondContact O-OG1 3.42Å
21	V	80.5	Confident	79.5	Confident	14 Å²	14	66.8 Å²	66.8	9%	0.085	37%	0.369	C	S	.	.			trans	-73	115.2	171.4	-179.2	0	0	0	0	108.3	A15 I16 T19 A34 L38	A15-V21 WeakPolarHBondContact CA-O 3.37Å; I16-V21 HydrophobicContact CD1-CB 4.36Å; I16-V21 PolarHBondContact N-O 3.31Å; T19-V21 PolarHBondContact O-N 3.49Å; V21-A34 HydrophobicContact CG1-CB 3.78Å; V21-L38 HydrophobicContact CG2-CD2 3.64Å
22	E	83.4	Confident	80.9	Confident	11 Å²	11	69.1 Å²	69.1	5%	0.051	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	138.7	179.7	-64	172.2	164.4	0	0	111.3	W13 Q14 A15 H20 H90 T91 T92 Y159	W13-E22 HydrophobicContact CB-CB 4.34Å; W13-E22 HydrophobicContact CE3-CB 4.17Å; Q14-E22 CarbonylContact O-C 3.6Å; Q14-E22 VanDerWaalsContact O-CA 3.3Å; Q14-E22 WeakPolarHBondContact O-CA 3.46Å; A15-E22 HydrophobicContact CB-CG 4.15Å; H20-E22 PolarHBondContact O-N 3.16Å; E22-H90 WeakPolarHBondContact OE2-CA 3.32Å; E22-H90 VanDerWaalsContact OE2-CB 3.23Å; E22-H90 WeakPolarHBondContact OE2-CB 3.47Å; E22-H90 IonicContact OE2-CE1 3.96Å; E22-H90 IonicContact OE2-CG 3.37Å; E22-H90 IonicContact OE2-ND1 2.76Å; E22-H90 PolarHBondContact OE2-ND1 3.32Å; E22-T91 PolarHBondContact OE1-N 3.16Å; E22-T91 PolarHBondContact OE1-OG1 3.08Å; E22-T91 PolarHBondContact OE2-N 3.49Å; E22-T92 HydrophobicContact CG-CG2 4.29Å; E22-T92 WeakPolarHBondContact OE1-CG2 3.45Å; E22-T92 PolarHBondContact OE1-N 2.61Å; E22-T92 PolarHBondContact OE1-OG1 3.33Å; E22-Y159 PolarHBondContact N-OH 3.48Å; E22-Y159 PolarHBondContact O-OH 2.84Å
23	F	83.4	Confident	82	Confident	13 Å²	13	60.3 Å²	60.3	6%	0.057	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	158.5	173.4	63.4	-85.1	0	0	0	110.7	Q14 I16 K31 A34 L157	Q14-F23 HydrophobicContact CB-CE1 4.31Å; Q14-F23 HydrophobicContact CB-CE2 4.23Å; Q14-F23 HydrophobicContact CB-CZ 3.95Å; Q14-F23 PolarHBondContact N-O 2.7Å; Q14-F23 VanDerWaalsContact O-CD1 3.24Å; Q14-F23 WeakPolarHBondContact O-CD1 3.19Å; Q14-F23 WeakPolarHBondContact O-CE1 3.14Å; Q14-F23 PolarHBondContact O-N 2.99Å; I16-F23 HydrophobicContact CG1-CD1 4.29Å; I16-F23 HydrophobicContact CG1-CE1 3.97Å; F23-K31 HydrophobicContact CD2-CB 3.88Å; F23-K31 HydrophobicContact CD2-CG 4.47Å; F23-K31 HydrophobicContact CE1-CG 4.45Å; F23-K31 HydrophobicContact CE2-CB 3.78Å; F23-K31 HydrophobicContact CE2-CD 4.27Å; F23-K31 HydrophobicContact CE2-CG 3.99Å; F23-K31 HydrophobicContact CG-CB 4.46Å; F23-K31 HydrophobicContact CZ-CB 4.27Å; F23-K31 HydrophobicContact CZ-CD 4.27Å; F23-K31 HydrophobicContact CZ-CG 3.98Å; F23-A34 HydrophobicContact CB-CB 4.17Å; F23-A34 HydrophobicContact CD1-CB 4.08Å; F23-A34 HydrophobicContact CG-CB 4.38Å; F23-L157 HydrophobicContact CB-CD2 3.83Å
24	P	81.7	Confident	82.6	Confident	21 Å²	21	57.9 Å²	57.9	14%	0.136	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	135.9	-179.2	-22.2	35.1	0	0	0	112.7	P11 W13 G26 D27	P11-P24 HydrophobicContact CB-CB 3.99Å; P11-P24 HydrophobicContact CG-CB 3.8Å; P11-P24 HydrophobicContact CG-CG 4.09Å; W13-P24 HydrophobicContact CE3-CG 4.29Å; W13-P24 HydrophobicContact CH2-CG 4.07Å; W13-P24 HydrophobicContact CZ3-CG 3.75Å; P24-G26 PolarHBondContact O-N 3.39Å; P24-D27 HydrophobicContact CB-CB 4.02Å; P24-D27 PolarHBondContact O-N 3.48Å
25	E	79.3	Confident	83.5	Confident	87 Å²	87	60 Å²	60	41%	0.407	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	133.5	175.3	-176.5	163.9	-145.8	0	0	111.2	R12 Q14 D27	R12-E25 HydrophobicContact CB-CB 4.39Å; R12-E25 WeakPolarHBondContact CB-OE2 3.42Å; R12-E25 VanDerWaalsContact CD-OE2 3.22Å; R12-E25 WeakPolarHBondContact CD-OE2 3.32Å; R12-E25 WeakPolarHBondContact CG-OE2 3.31Å; R12-E25 IonicContact NE-OE2 3.21Å; R12-E25 WeakPolarHBondContact O-CB 3.45Å; R12-E25 PolarHBondContact O-N 3.36Å; Q14-E25 HydrophobicContact CG-CB 4.05Å; Q14-E25 HydrophobicContact CG-CG 4.22Å; Q14-E25 VanDerWaalsContact NE2-CD 3.27Å; Q14-E25 PolarHBondContact NE2-OE1 3.41Å; E25-D27 VanDerWaalsContact C-N 3.26Å; E25-D27 PolarHBondContact O-N 3.24Å
26	G	82.4	Confident	84.3	Confident	77 Å²	77	60.2 Å²	60.2	79%	0.794	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-5	-178.5	0	0	0	0	0	115.3	P24 L28	P24-G26 PolarHBondContact O-N 3.39Å; G26-L28 PolarHBondContact O-N 3.04Å
27	D	87.3	Confident	85.1	Confident	36 Å²	36	59.5 Å²	59.5	19%	0.193	33%	0.333	C	S	.	.			trans	-92.6	101.3	177.7	-179.9	13.5	0	0	0	112.3	P24 E25 T29 G30 K31 Y156	P24-D27 HydrophobicContact CB-CB 4.02Å; P24-D27 PolarHBondContact O-N 3.48Å; E25-D27 VanDerWaalsContact C-N 3.26Å; E25-D27 PolarHBondContact O-N 3.24Å; D27-T29 VanDerWaalsContact C-N 3.3Å; D27-T29 PolarHBondContact O-N 3.2Å; D27-T29 WeakPolarHBondContact OD1-CA 3.48Å; D27-T29 WeakPolarHBondContact OD1-CB 3.05Å; D27-T29 PolarHBondContact OD1-N 3.46Å; D27-G30 PolarHBondContact O-N 3.34Å; D27-G30 PolarHBondContact OD1-N 2.71Å; D27-G30 WeakPolarHBondContact OD2-CA 3.46Å; D27-G30 PolarHBondContact OD2-N 3.39Å; D27-K31 WeakPolarHBondContact O-CB 3.27Å; D27-K31 PolarHBondContact O-N 3.38Å; D27-Y156 WeakPolarHBondContact OD2-CE1 3.37Å; D27-Y156 PolarHBondContact OD2-OH 2.81Å
28	L	89.3	Confident	86.2	Confident	140 Å²	140	56.2 Å²	56.2	73%	0.733	31%	0.307	S	S	*	.	H	α-helix	trans	-64.1	-34.2	176.4	-64.9	177.6	0	0	0	112.6	G26 L32	G26-L28 PolarHBondContact O-N 3.04Å; L28-L32 WeakPolarHBondContact O-CB 3.28Å; L28-L32 PolarHBondContact O-N 3.32Å
29	T	90.3	Very high	87.4	Confident	74 Å²	74	52.6 Å²	52.6	45%	0.454	28%	0.283	S	S	.	.	H	α-helix	trans	-70.4	-47.3	179.4	-56	0	0	0	0	109.5	D27 K31 L32 L33 Y156	D27-T29 VanDerWaalsContact C-N 3.3Å; D27-T29 PolarHBondContact O-N 3.2Å; D27-T29 WeakPolarHBondContact OD1-CA 3.48Å; D27-T29 WeakPolarHBondContact OD1-CB 3.05Å; D27-T29 PolarHBondContact OD1-N 3.46Å; T29-K31 VanDerWaalsContact C-N 3.33Å; T29-K31 PolarHBondContact O-N 3.23Å; T29-L32 PolarHBondContact O-N 2.97Å; T29-L33 HydrophobicContact CG2-CD1 3.94Å; T29-L33 HydrophobicContact CG2-CG 4.46Å; T29-L33 WeakPolarHBondContact O-CB 3.39Å; T29-L33 WeakPolarHBondContact O-CG 3.42Å; T29-L33 PolarHBondContact O-N 3.2Å; T29-Y156 HydrophobicContact CG2-CE1 4.26Å
30	G	87.9	Confident	88.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.5	-43.1	173.2	0	0	0	0	0	112.6	D27 L33 A34	D27-G30 PolarHBondContact O-N 3.34Å; D27-G30 PolarHBondContact OD1-N 2.71Å; D27-G30 WeakPolarHBondContact OD2-CA 3.46Å; D27-G30 PolarHBondContact OD2-N 3.39Å; G30-L33 PolarHBondContact O-N 2.77Å; G30-A34 WeakPolarHBondContact O-CB 3.4Å; G30-A34 PolarHBondContact O-N 3.42Å
31	K	89.4	Confident	89	Confident	95 Å²	95	48.6 Å²	48.6	41%	0.413	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-46.7	174.7	-173.6	176.6	-178.6	177.3	0	112.3	F23 D27 T29 A34 Y35	F23-K31 HydrophobicContact CD2-CB 3.88Å; F23-K31 HydrophobicContact CD2-CG 4.47Å; F23-K31 HydrophobicContact CE1-CG 4.45Å; F23-K31 HydrophobicContact CE2-CB 3.78Å; F23-K31 HydrophobicContact CE2-CD 4.27Å; F23-K31 HydrophobicContact CE2-CG 3.99Å; F23-K31 HydrophobicContact CG-CB 4.46Å; F23-K31 HydrophobicContact CZ-CB 4.27Å; F23-K31 HydrophobicContact CZ-CD 4.27Å; F23-K31 HydrophobicContact CZ-CG 3.98Å; D27-K31 WeakPolarHBondContact O-CB 3.27Å; D27-K31 PolarHBondContact O-N 3.38Å; T29-K31 VanDerWaalsContact C-N 3.33Å; T29-K31 PolarHBondContact O-N 3.23Å; K31-A34 WeakPolarHBondContact O-CB 3.37Å; K31-A34 PolarHBondContact O-N 2.91Å; K31-Y35 HydrophobicContact CG-CD2 4.35Å; K31-Y35 HydrophobicContact CG-CE2 4.01Å; K31-Y35 WeakPolarHBondContact O-CD2 3.42Å; K31-Y35 PolarHBondContact O-N 2.96Å
32	L	93.2	Very high	89.8	Confident	103 Å²	103	50.6 Å²	50.6	54%	0.539	28%	0.284	S	S	.	.	H	α-helix	trans	-63.4	-43.9	177.3	177	136.2	0	0	0	111.6	L28 T29 A34 Y35 I36	L28-L32 WeakPolarHBondContact O-CB 3.28Å; L28-L32 PolarHBondContact O-N 3.32Å; T29-L32 PolarHBondContact O-N 2.97Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.32Å; L32-Y35 PolarHBondContact O-N 3.37Å; L32-I36 HydrophobicContact CD2-CD1 3.53Å; L32-I36 HydrophobicContact CD2-CG1 4.48Å; L32-I36 HydrophobicContact CG-CD1 4.26Å; L32-I36 WeakPolarHBondContact O-CG1 3.18Å; L32-I36 PolarHBondContact O-N 2.91Å
33	L	92.4	Very high	90.4	Very high	11 Å²	11	51.1 Å²	51.1	6%	0.058	29%	0.287	C	S	.	.	H	α-helix	trans	-65.7	-32.4	177.2	-72.4	172.9	0	0	0	112.5	T29 G30 I36 S37 Y152 S153 Y156 L157	T29-L33 HydrophobicContact CG2-CD1 3.94Å; T29-L33 HydrophobicContact CG2-CG 4.46Å; T29-L33 WeakPolarHBondContact O-CB 3.39Å; T29-L33 WeakPolarHBondContact O-CG 3.42Å; T29-L33 PolarHBondContact O-N 3.2Å; G30-L33 PolarHBondContact O-N 2.77Å; L33-I36 HydrophobicContact CD2-CD1 4.35Å; L33-I36 PolarHBondContact O-N 2.96Å; L33-S37 WeakPolarHBondContact O-CB 3.39Å; L33-S37 PolarHBondContact O-N 2.91Å; L33-Y152 HydrophobicContact CD1-CD1 4.09Å; L33-Y152 HydrophobicContact CD1-CE1 3.89Å; L33-Y152 HydrophobicContact CD2-CD1 4.01Å; L33-Y152 HydrophobicContact CD2-CE1 4.49Å; L33-S153 WeakPolarHBondContact O-CB 3.5Å; L33-Y156 HydrophobicContact CD1-CD1 3.4Å; L33-Y156 VanDerWaalsContact CD1-CD1 3.4Å; L33-Y156 HydrophobicContact CD1-CD2 4.21Å; L33-Y156 HydrophobicContact CD1-CE1 3.97Å; L33-Y156 HydrophobicContact CD1-CG 3.53Å; L33-L157 HydrophobicContact CB-CD1 4.16Å
34	A	90.8	Very high	91	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-44	173	0	0	0	0	0	111	I16 V21 F23 G30 K31 L32 S37 L157	I16-A34 HydrophobicContact CD1-CB 3.85Å; V21-A34 HydrophobicContact CG1-CB 3.78Å; F23-A34 HydrophobicContact CB-CB 4.17Å; F23-A34 HydrophobicContact CD1-CB 4.08Å; F23-A34 HydrophobicContact CG-CB 4.38Å; G30-A34 WeakPolarHBondContact O-CB 3.4Å; G30-A34 PolarHBondContact O-N 3.42Å; K31-A34 WeakPolarHBondContact O-CB 3.37Å; K31-A34 PolarHBondContact O-N 2.91Å; L32-A34 VanDerWaalsContact C-N 3.3Å; L32-A34 PolarHBondContact O-N 3.32Å; A34-S37 PolarHBondContact O-N 3.24Å; A34-S37 PolarHBondContact O-OG 3.43Å; A34-L157 HydrophobicContact CB-CD1 4.03Å
35	Y	92.7	Very high	91.7	Very high	125 Å²	125	56.2 Å²	56.2	49%	0.49	32%	0.316	S	S	.	.	H	α-helix	trans	-64.2	-42.9	173.1	-77.7	-70.1	0	0	0	112.8	I16 K31 L32 S37 L38	I16-Y35 HydrophobicContact CD1-CD1 4.02Å; I16-Y35 HydrophobicContact CD1-CD2 4.36Å; I16-Y35 HydrophobicContact CD1-CE1 3.95Å; I16-Y35 HydrophobicContact CD1-CE2 4.29Å; I16-Y35 HydrophobicContact CD1-CG 4.22Å; I16-Y35 HydrophobicContact CG2-CE1 4.33Å; K31-Y35 HydrophobicContact CG-CD2 4.35Å; K31-Y35 HydrophobicContact CG-CE2 4.01Å; K31-Y35 WeakPolarHBondContact O-CD2 3.42Å; K31-Y35 PolarHBondContact O-N 2.96Å; L32-Y35 PolarHBondContact O-N 3.37Å; Y35-S37 PolarHBondContact O-N 3.09Å; Y35-L38 HydrophobicContact CD1-CD1 4.18Å; Y35-L38 WeakPolarHBondContact O-CB 3.46Å; Y35-L38 PolarHBondContact O-N 3.26Å
36	I	94.1	Very high	92.6	Very high	51 Å²	51	53.4 Å²	53.4	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-58.6	-37.3	175.9	-71.2	172.5	0	0	0	110.8	L32 L33 L38 L39 V150	L32-I36 HydrophobicContact CD2-CD1 3.53Å; L32-I36 HydrophobicContact CD2-CG1 4.48Å; L32-I36 HydrophobicContact CG-CD1 4.26Å; L32-I36 WeakPolarHBondContact O-CG1 3.18Å; L32-I36 PolarHBondContact O-N 2.91Å; L33-I36 HydrophobicContact CD2-CD1 4.35Å; L33-I36 PolarHBondContact O-N 2.96Å; I36-L38 PolarHBondContact O-N 2.98Å; I36-L38 VanDerWaalsContact O-N 3.11Å; I36-L39 VanDerWaalsContact O-CB 3.25Å; I36-L39 WeakPolarHBondContact O-CB 3.06Å; I36-L39 PolarHBondContact O-N 3.44Å; I36-V150 HydrophobicContact CG2-CG2 3.86Å
37	S	93.3	Very high	93.3	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-13.1	178.2	80.4	0	0	0	0	114.5	L33 A34 Y35 L39 P40 H103 S153 R154	L33-S37 WeakPolarHBondContact O-CB 3.39Å; L33-S37 PolarHBondContact O-N 2.91Å; A34-S37 PolarHBondContact O-N 3.24Å; A34-S37 PolarHBondContact O-OG 3.43Å; Y35-S37 PolarHBondContact O-N 3.09Å; S37-L39 VanDerWaalsContact C-N 3.31Å; S37-P40 WeakPolarHBondContact O-CD 3.38Å; S37-H103 PolarHBondContact O-CD2 2.94Å; S37-H103 PolarHBondContact O-NE2 3.37Å; S37-S153 WeakPolarHBondContact CB-OG 3.36Å; S37-R154 VanDerWaalsContact CB-CZ 3.4Å; S37-R154 VanDerWaalsContact CB-NH2 3.3Å; S37-R154 PolarHBondContact OG-NH2 3.15Å
38	L	94.2	Very high	93.8	Very high	34 Å²	34	52.1 Å²	52.1	18%	0.178	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-8.8	174.5	-59.3	177.2	0	0	0	113.5	I16 T19 V21 Y35 I36 V41 A42	I16-L38 HydrophobicContact CD1-CD1 4.29Å; T19-L38 HydrophobicContact CG2-CD1 3.98Å; T19-L38 HydrophobicContact CG2-CD2 3.75Å; V21-L38 HydrophobicContact CG2-CD2 3.64Å; Y35-L38 HydrophobicContact CD1-CD1 4.18Å; Y35-L38 WeakPolarHBondContact O-CB 3.46Å; Y35-L38 PolarHBondContact O-N 3.26Å; I36-L38 PolarHBondContact O-N 2.98Å; I36-L38 VanDerWaalsContact O-N 3.11Å; L38-V41 WeakPolarHBondContact O-CB 3.5Å; L38-V41 PolarHBondContact O-N 3.25Å; L38-A42 PolarHBondContact O-N 3.43Å
39	L	95.3	Very high	94.2	Very high	47 Å²	47	48.5 Å²	48.5	25%	0.246	27%	0.272	C	S	.	.	H	α-helix	trans	-55.9	-43.2	-178.8	-175.6	66.3	0	0	0	113.6	I36 S37 V41 A42 I43 I107 M146 V150	I36-L39 VanDerWaalsContact O-CB 3.25Å; I36-L39 WeakPolarHBondContact O-CB 3.06Å; I36-L39 PolarHBondContact O-N 3.44Å; S37-L39 VanDerWaalsContact C-N 3.31Å; L39-V41 VanDerWaalsContact C-N 3.3Å; L39-V41 PolarHBondContact O-N 3.04Å; L39-A42 WeakPolarHBondContact O-CB 3.26Å; L39-A42 PolarHBondContact O-N 3.13Å; L39-I43 HydrophobicContact CG-CD1 4.08Å; L39-I43 WeakPolarHBondContact O-CG1 3.23Å; L39-I43 PolarHBondContact O-N 3.2Å; L39-I107 HydrophobicContact CD2-CD1 4.09Å; L39-I107 HydrophobicContact CG-CD1 4.41Å; L39-M146 HydrophobicContact CD2-CB 3.91Å; L39-M146 HydrophobicContact CD2-CG 4.17Å; L39-M146 HydrophobicContact CD2-SD 3.75Å; L39-V150 HydrophobicContact CB-CG2 4.15Å; L39-V150 HydrophobicContact CD2-CG2 4.15Å
40	P	95.3	Very high	94.4	Very high	5 Å²	5	49 Å²	49	3%	0.032	27%	0.271	C	S	.	.	H	α-helix	trans	-52.2	-43.6	171.2	-31.2	39.1	0	0	0	114.1	S37 I43 L44 L106 V150	S37-P40 WeakPolarHBondContact O-CD 3.38Å; P40-I43 WeakPolarHBondContact O-CB 3.03Å; P40-I43 PolarHBondContact O-N 2.94Å; P40-L44 WeakPolarHBondContact O-CG 3.36Å; P40-L44 PolarHBondContact O-N 3.11Å; P40-L44 VanDerWaalsContact O-N 3.1Å; P40-L106 HydrophobicContact CB-CD1 4.16Å; P40-L106 HydrophobicContact CB-CD2 3.8Å; P40-L106 HydrophobicContact CB-CG 4.43Å; P40-V150 HydrophobicContact CG-CG1 4.05Å
41	V	94	Very high	94.8	Very high	77 Å²	77	50.8 Å²	50.8	47%	0.467	28%	0.28	S	S	.	.	H	α-helix	trans	-67.4	-43.7	178.4	-179.4	0	0	0	0	110.4	L38 L39 I43 L44 V45	L38-V41 WeakPolarHBondContact O-CB 3.5Å; L38-V41 PolarHBondContact O-N 3.25Å; L39-V41 VanDerWaalsContact C-N 3.3Å; L39-V41 PolarHBondContact O-N 3.04Å; V41-I43 VanDerWaalsContact C-N 3.27Å; V41-I43 PolarHBondContact O-N 3.03Å; V41-L44 PolarHBondContact O-N 2.76Å; V41-L44 VanDerWaalsContact O-N 3.16Å; V41-V45 WeakPolarHBondContact O-CG2 3.12Å; V41-V45 PolarHBondContact O-N 2.96Å
42	A	95.6	Very high	95.1	Very high	56 Å²	56	50.3 Å²	50.3	46%	0.463	29%	0.285	S	S	.	.	H	α-helix	trans	-59.8	-37.6	175.5	0	0	0	0	0	112.1	L38 L39 V45 G46	L38-A42 PolarHBondContact O-N 3.43Å; L39-A42 WeakPolarHBondContact O-CB 3.26Å; L39-A42 PolarHBondContact O-N 3.13Å; A42-V45 PolarHBondContact O-N 3.23Å; A42-G46 PolarHBondContact O-N 3.49Å
43	I	96.2	Very high	95.2	Very high	22 Å²	22	52.4 Å²	52.4	11%	0.113	29%	0.29	C	S	.	.	H	α-helix	trans	-62.7	-45.4	174.4	-72.3	165.3	0	0	0	110.9	L39 P40 V41 V45 G46 F47 I107 F110	L39-I43 HydrophobicContact CG-CD1 4.08Å; L39-I43 WeakPolarHBondContact O-CG1 3.23Å; L39-I43 PolarHBondContact O-N 3.2Å; P40-I43 WeakPolarHBondContact O-CB 3.03Å; P40-I43 PolarHBondContact O-N 2.94Å; V41-I43 VanDerWaalsContact C-N 3.27Å; V41-I43 PolarHBondContact O-N 3.03Å; I43-V45 PolarHBondContact O-N 3.21Å; I43-G46 CarbonylContact O-C 3.3Å; I43-G46 WeakPolarHBondContact O-CA 3.48Å; I43-G46 PolarHBondContact O-N 3.09Å; I43-F47 HydrophobicContact CG2-CD2 3.73Å; I43-F47 HydrophobicContact CG2-CE2 3.55Å; I43-F47 VanDerWaalsContact O-CD2 3.29Å; I43-F47 WeakPolarHBondContact O-CD2 3.48Å; I43-F47 PolarHBondContact O-N 3.35Å; I43-I107 HydrophobicContact CD1-CD1 3.49Å; I43-I107 VanDerWaalsContact CD1-CD1 3.49Å; I43-F110 HydrophobicContact CD1-CD1 3.91Å; I43-F110 HydrophobicContact CD1-CD2 4.46Å; I43-F110 HydrophobicContact CD1-CE1 4.13Å; I43-F110 HydrophobicContact CD1-CG 4.09Å; I43-F110 HydrophobicContact CD1-CZ 4.49Å; I43-F110 HydrophobicContact CG2-CD2 3.65Å; I43-F110 HydrophobicContact CG2-CE2 3.79Å; I43-F110 HydrophobicContact CG2-CG 4.24Å; I43-F110 HydrophobicContact CG2-CZ 4.5Å
44	L	96.5	Very high	95.2	Very high	53 Å²	53	55.5 Å²	55.5	28%	0.277	30%	0.303	S	S	.	.	H	α-helix	trans	-61	-45.2	177.5	-66.7	174.1	0	0	0	111.8	P40 V41 G46 F47 V48 F63 V66 L106	P40-L44 WeakPolarHBondContact O-CG 3.36Å; P40-L44 PolarHBondContact O-N 3.11Å; P40-L44 VanDerWaalsContact O-N 3.1Å; V41-L44 PolarHBondContact O-N 2.76Å; V41-L44 VanDerWaalsContact O-N 3.16Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.26Å; L44-F47 PolarHBondContact O-N 3.07Å; L44-V48 WeakPolarHBondContact O-CG2 3.22Å; L44-V48 PolarHBondContact O-N 2.92Å; L44-F63 HydrophobicContact CD2-CE2 3.87Å; L44-V66 HydrophobicContact CD2-CG1 3.65Å; L44-L106 HydrophobicContact CD1-CD1 4.2Å; L44-L106 HydrophobicContact CD2-CD1 4.36Å; L44-L106 HydrophobicContact CG-CD1 4.35Å
45	V	96.8	Very high	95.4	Very high	87 Å²	87	59.1 Å²	59.1	53%	0.527	32%	0.317	S	S	.	.	H	α-helix	trans	-61.7	-40.7	174.7	175.1	0	0	0	0	110.9	V41 A42 I43 V48 T49	V41-V45 WeakPolarHBondContact O-CG2 3.12Å; V41-V45 PolarHBondContact O-N 2.96Å; A42-V45 PolarHBondContact O-N 3.23Å; I43-V45 PolarHBondContact O-N 3.21Å; V45-V48 PolarHBondContact O-N 3.12Å; V45-T49 WeakPolarHBondContact O-CB 3.44Å; V45-T49 PolarHBondContact O-N 2.89Å; V45-T49 PolarHBondContact O-OG1 2.98Å
46	G	97.3	Very high	95.5	Very high	28 Å²	28	53.8 Å²	53.8	29%	0.289	30%	0.296	S	S	.	.	H	α-helix	trans	-59.2	-44.1	174.3	0	0	0	0	0	112.6	A42 I43 L44 T49 L50	A42-G46 PolarHBondContact O-N 3.49Å; I43-G46 CarbonylContact O-C 3.3Å; I43-G46 WeakPolarHBondContact O-CA 3.48Å; I43-G46 PolarHBondContact O-N 3.09Å; L44-G46 VanDerWaalsContact C-N 3.3Å; L44-G46 PolarHBondContact O-N 3.26Å; G46-T49 WeakPolarHBondContact O-CB 3.39Å; G46-T49 PolarHBondContact O-N 3.39Å; G46-L50 WeakPolarHBondContact O-CB 3.27Å; G46-L50 VanDerWaalsContact O-CG 3.32Å; G46-L50 WeakPolarHBondContact O-CG 3.5Å; G46-L50 PolarHBondContact O-N 3.18Å
47	F	97.5	Very high	95.6	Very high	11 Å²	11	52 Å²	52	5%	0.048	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-49.7	174.8	-86.7	-68.7	0	0	0	112.4	I43 L44 T49 L50 I51 T59 F62 F63 V66 F110	I43-F47 HydrophobicContact CG2-CD2 3.73Å; I43-F47 HydrophobicContact CG2-CE2 3.55Å; I43-F47 VanDerWaalsContact O-CD2 3.29Å; I43-F47 WeakPolarHBondContact O-CD2 3.48Å; I43-F47 PolarHBondContact O-N 3.35Å; L44-F47 PolarHBondContact O-N 3.07Å; F47-T49 VanDerWaalsContact C-N 3.25Å; F47-T49 PolarHBondContact O-N 2.85Å; F47-L50 PolarHBondContact O-N 2.86Å; F47-I51 WeakPolarHBondContact O-CB 3.27Å; F47-I51 VanDerWaalsContact O-CG1 3.26Å; F47-I51 WeakPolarHBondContact O-CG1 3.33Å; F47-I51 PolarHBondContact O-N 2.71Å; F47-T59 HydrophobicContact CD1-CG2 4.03Å; F47-T59 HydrophobicContact CE1-CG2 4.42Å; F47-F62 HydrophobicContact CE1-CB 4.01Å; F47-F62 AromaticContact CE1-CD1 3.68Å; F47-F62 HydrophobicContact CE1-CD1 3.68Å; F47-F62 HydrophobicContact CE1-CD2 4.45Å; F47-F62 HydrophobicContact CE1-CE1 4.25Å; F47-F62 AromaticContact CE1-CG 3.79Å; F47-F62 HydrophobicContact CE1-CG 3.79Å; F47-F62 HydrophobicContact CZ-CB 4.37Å; F47-F62 AromaticContact CZ-CD1 3.55Å; F47-F62 HydrophobicContact CZ-CD1 3.55Å; F47-F62 AromaticContact CZ-CD2 3.95Å; F47-F62 HydrophobicContact CZ-CD2 3.95Å; F47-F62 AromaticContact CZ-CE1 3.69Å; F47-F62 HydrophobicContact CZ-CE1 3.69Å; F47-F62 HydrophobicContact CZ-CE2 4.05Å; F47-F62 AromaticContact CZ-CG 3.68Å; F47-F62 HydrophobicContact CZ-CG 3.68Å; F47-F62 AromaticContact CZ-CZ 3.93Å; F47-F62 HydrophobicContact CZ-CZ 3.93Å; F47-F63 HydrophobicContact CB-CB 4.19Å; F47-F63 HydrophobicContact CB-CD2 3.33Å; F47-F63 HydrophobicContact CB-CE2 3.86Å; F47-F63 HydrophobicContact CB-CG 3.93Å; F47-F63 HydrophobicContact CD1-CB 3.82Å; F47-F63 HydrophobicContact CD1-CD2 4.29Å; F47-F63 HydrophobicContact CD1-CG 4.45Å; F47-F63 AromaticContact CD2-CD2 3.96Å; F47-F63 HydrophobicContact CD2-CD2 3.96Å; F47-F63 HydrophobicContact CE1-CB 4.38Å; F47-F63 HydrophobicContact CG-CB 4.05Å; F47-F63 AromaticContact CG-CD2 3.63Å; F47-F63 HydrophobicContact CG-CD2 3.63Å; F47-F63 HydrophobicContact CG-CE2 4.5Å; F47-F63 HydrophobicContact CG-CG 4.21Å; F47-V66 HydrophobicContact CE2-CG2 4.06Å; F47-V66 HydrophobicContact CZ-CG2 4.41Å; F47-F110 AromaticContact CE2-CD2 3.85Å; F47-F110 HydrophobicContact CE2-CD2 3.85Å; F47-F110 AromaticContact CE2-CE2 3.91Å; F47-F110 HydrophobicContact CE2-CE2 3.91Å; F47-F110 HydrophobicContact CZ-CD2 4.05Å; F47-F110 AromaticContact CZ-CE2 3.97Å; F47-F110 HydrophobicContact CZ-CE2 3.97Å
48	V	97.6	Very high	95.7	Very high	75 Å²	75	53.2 Å²	53.2	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-57.2	-44.8	178.4	173.8	0	0	0	0	110.2	L44 V45 I51 V52 F63	L44-V48 WeakPolarHBondContact O-CG2 3.22Å; L44-V48 PolarHBondContact O-N 2.92Å; V45-V48 PolarHBondContact O-N 3.12Å; V48-I51 PolarHBondContact O-N 2.78Å; V48-V52 VanDerWaalsContact O-CG2 3.32Å; V48-V52 WeakPolarHBondContact O-CG2 3.5Å; V48-V52 PolarHBondContact O-N 3.3Å; V48-F63 HydrophobicContact CG2-CZ 4.06Å
49	T	97.3	Very high	95.8	Very high	64 Å²	64	53.1 Å²	53.1	39%	0.393	29%	0.294	S	S	.	.	H	α-helix	trans	-58.7	-51.2	176.5	-56.2	0	0	0	0	111.1	V45 G46 F47 I51 V52 F53	V45-T49 WeakPolarHBondContact O-CB 3.44Å; V45-T49 PolarHBondContact O-N 2.89Å; V45-T49 PolarHBondContact O-OG1 2.98Å; G46-T49 WeakPolarHBondContact O-CB 3.39Å; G46-T49 PolarHBondContact O-N 3.39Å; F47-T49 VanDerWaalsContact C-N 3.25Å; F47-T49 PolarHBondContact O-N 2.85Å; T49-I51 VanDerWaalsContact C-N 3.33Å; T49-I51 PolarHBondContact O-N 2.92Å; T49-V52 PolarHBondContact O-N 3.21Å; T49-F53 HydrophobicContact CG2-CD2 3.7Å; T49-F53 HydrophobicContact CG2-CE2 3.87Å; T49-F53 WeakPolarHBondContact O-CD2 3.33Å; T49-F53 PolarHBondContact O-N 3.14Å
50	L	95.4	Very high	95.9	Very high	84 Å²	84	53.3 Å²	53.3	44%	0.44	30%	0.295	S	S	.	.	H	α-helix	trans	-63.1	-37.9	178.8	-71.8	173.2	0	0	0	112.4	G46 F47 K54 R55 T59	G46-L50 WeakPolarHBondContact O-CB 3.27Å; G46-L50 VanDerWaalsContact O-CG 3.32Å; G46-L50 WeakPolarHBondContact O-CG 3.5Å; G46-L50 PolarHBondContact O-N 3.18Å; F47-L50 PolarHBondContact O-N 2.86Å; L50-K54 HydrophobicContact CD2-CG 4.32Å; L50-K54 WeakPolarHBondContact O-CA 3.49Å; L50-K54 VanDerWaalsContact O-CB 3.25Å; L50-K54 WeakPolarHBondContact O-CB 3.44Å; L50-K54 PolarHBondContact O-N 2.92Å; L50-R55 PolarHBondContact O-N 3.04Å; L50-T59 HydrophobicContact CB-CG2 3.96Å
51	I	96.8	Very high	96	Very high	38 Å²	38	53.4 Å²	53.4	20%	0.195	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-46	175.9	-70.4	168	0	0	0	109.8	F47 V48 T49 F53 R55 T59 I60 F63	F47-I51 WeakPolarHBondContact O-CB 3.27Å; F47-I51 VanDerWaalsContact O-CG1 3.26Å; F47-I51 WeakPolarHBondContact O-CG1 3.33Å; F47-I51 PolarHBondContact O-N 2.71Å; V48-I51 PolarHBondContact O-N 2.78Å; T49-I51 VanDerWaalsContact C-N 3.33Å; T49-I51 PolarHBondContact O-N 2.92Å; I51-F53 PolarHBondContact O-N 3.4Å; I51-R55 WeakPolarHBondContact O-CA 3.44Å; I51-R55 WeakPolarHBondContact O-CG 3.36Å; I51-R55 PolarHBondContact O-N 2.89Å; I51-T59 HydrophobicContact CG1-CG2 4.08Å; I51-I60 HydrophobicContact CD1-CG1 4.38Å; I51-I60 HydrophobicContact CG1-CG1 3.94Å; I51-I60 HydrophobicContact CG2-CG1 4.03Å; I51-F63 HydrophobicContact CD1-CB 3.69Å; I51-F63 HydrophobicContact CD1-CD1 3.48Å; I51-F63 VanDerWaalsContact CD1-CD1 3.48Å; I51-F63 HydrophobicContact CD1-CE1 4.28Å; I51-F63 HydrophobicContact CD1-CG 3.73Å
52	V	96	Very high	96.2	Very high	86 Å²	86	50.6 Å²	50.6	52%	0.521	28%	0.277	S	S	.	.	H	α-helix	trans	-63.2	-44.2	179.5	170.5	0	0	0	0	111.8	V48 T49 R55	V48-V52 VanDerWaalsContact O-CG2 3.32Å; V48-V52 WeakPolarHBondContact O-CG2 3.5Å; V48-V52 PolarHBondContact O-N 3.3Å; T49-V52 PolarHBondContact O-N 3.21Å; V52-R55 PolarHBondContact O-NH1 3.16Å
53	F	94.3	Very high	96.3	Very high	146 Å²	146	49.7 Å²	49.7	64%	0.64	26%	0.263	S	S	*	.	H	α-helix	trans	-88.7	-39.6	-172.9	-73.4	-71.6	0	0	0	114.6	T49 I51 R55	T49-F53 HydrophobicContact CG2-CD2 3.7Å; T49-F53 HydrophobicContact CG2-CE2 3.87Å; T49-F53 WeakPolarHBondContact O-CD2 3.33Å; T49-F53 PolarHBondContact O-N 3.14Å; I51-F53 PolarHBondContact O-N 3.4Å; F53-R55 PolarHBondContact O-NH1 3.17Å
54	K	93.2	Very high	96.4	Very high	77 Å²	77	51.3 Å²	51.3	34%	0.335	27%	0.273	S	S	.	.	H	α-helix	trans	-99.6	-31	-175.5	-64.5	-71.8	-172.5	177.9	0	112.8	L50 E56 R206 E218	L50-K54 HydrophobicContact CD2-CG 4.32Å; L50-K54 WeakPolarHBondContact O-CA 3.49Å; L50-K54 VanDerWaalsContact O-CB 3.25Å; L50-K54 WeakPolarHBondContact O-CB 3.44Å; L50-K54 PolarHBondContact O-N 2.92Å; K54-E56 HydrophobicContact CB-CG 4Å; K54-E56 PolarHBondContact O-N 3.23Å; K54-E56 VanDerWaalsContact O-N 3.16Å; K54-R206 VanDerWaalsContact O-CZ 3.3Å; K54-R206 PolarHBondContact O-NE 3.18Å; K54-R206 PolarHBondContact O-NH2 2.94Å; K54-E218 IonicContact NZ-OE1 2.74Å; K54-E218 PolarHBondContact NZ-OE1 3.15Å; K54-E218 IonicContact NZ-OE2 2.85Å; K54-E218 PolarHBondContact NZ-OE2 3.06Å
55	R	94.9	Very high	96.5	Very high	76 Å²	76	48.8 Å²	48.8	29%	0.287	26%	0.261	S	S	.	.			trans	51.1	39.5	175.4	-58.9	173.5	-68.2	-86.6	-0.5	113.4	L50 I51 V52 F53 F203 L204 V205 R206	L50-R55 PolarHBondContact O-N 3.04Å; I51-R55 WeakPolarHBondContact O-CA 3.44Å; I51-R55 WeakPolarHBondContact O-CG 3.36Å; I51-R55 PolarHBondContact O-N 2.89Å; V52-R55 PolarHBondContact O-NH1 3.16Å; F53-R55 PolarHBondContact O-NH1 3.17Å; R55-F203 WeakPolarHBondContact CD-O 3.27Å; R55-F203 PolarHBondContact NE-O 3.16Å; R55-L204 PolarHBondContact NE-O 3.44Å; R55-V205 WeakPolarHBondContact O-CA 3.5Å; R55-R206 PolarHBondContact O-N 2.92Å
56	E	94.8	Very high	96.6	Very high	12 Å²	12	44.8 Å²	44.8	6%	0.056	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-87.2	131.4	-177.6	-68.2	-60.7	146.8	0	0	111.3	K54 H58 T59 I60 R206 T208	K54-E56 HydrophobicContact CB-CG 4Å; K54-E56 PolarHBondContact O-N 3.23Å; K54-E56 VanDerWaalsContact O-N 3.16Å; E56-H58 VanDerWaalsContact C-N 3.31Å; E56-H58 PolarHBondContact O-N 3.46Å; E56-T59 WeakPolarHBondContact O-CB 3.41Å; E56-T59 PolarHBondContact O-N 2.96Å; E56-I60 WeakPolarHBondContact O-CG1 3.23Å; E56-I60 PolarHBondContact O-N 2.9Å; E56-R206 VanDerWaalsContact OE1-CB 3.29Å; E56-R206 WeakPolarHBondContact OE1-CB 3.46Å; E56-R206 IonicContact OE1-CZ 2.65Å; E56-R206 IonicContact OE1-NE 3.22Å; E56-R206 PolarHBondContact OE1-NE 3.31Å; E56-R206 IonicContact OE1-NH1 2.92Å; E56-R206 IonicContact OE1-NH2 3.34Å; E56-R206 PolarHBondContact OE1-NH2 3.44Å; E56-T208 VanDerWaalsContact CD-CG2 3.49Å; E56-T208 WeakPolarHBondContact OE1-CG2 3.36Å; E56-T208 VanDerWaalsContact OE2-CB 3.31Å; E56-T208 WeakPolarHBondContact OE2-CB 3.45Å; E56-T208 WeakPolarHBondContact OE2-CG2 3.45Å; E56-T208 PolarHBondContact OE2-OG1 2.95Å
57	L	96.1	Very high	96.6	Very high	14 Å²	14	47.8 Å²	47.8	7%	0.073	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-38.8	-179.1	-74.1	173.2	0	0	0	113.3	T59 I60 S61 F191 I194 A195 V205 R206 D207	L57-T59 PolarHBondContact O-N 2.86Å; L57-I60 PolarHBondContact O-N 2.83Å; L57-S61 WeakPolarHBondContact O-CB 3.38Å; L57-S61 PolarHBondContact O-N 2.78Å; L57-F191 HydrophobicContact CB-CD1 3.96Å; L57-F191 HydrophobicContact CB-CD2 3.87Å; L57-F191 HydrophobicContact CB-CE1 4.02Å; L57-F191 HydrophobicContact CB-CE2 3.98Å; L57-F191 HydrophobicContact CB-CG 3.89Å; L57-F191 HydrophobicContact CB-CZ 4.05Å; L57-F191 HydrophobicContact CD1-CB 3.59Å; L57-F191 HydrophobicContact CD1-CD1 3.93Å; L57-F191 HydrophobicContact CD1-CD2 4.44Å; L57-F191 HydrophobicContact CD1-CG 3.75Å; L57-F191 WeakPolarHBondContact CD1-O 3.33Å; L57-F191 HydrophobicContact CG-CD1 4.4Å; L57-F191 HydrophobicContact CG-CG 4.43Å; L57-I194 HydrophobicContact CD1-CB 4.48Å; L57-I194 HydrophobicContact CD1-CG2 4.42Å; L57-I194 HydrophobicContact CD2-CG2 3.83Å; L57-A195 HydrophobicContact CD1-CB 4.1Å; L57-V205 HydrophobicContact CD1-CG1 4.49Å; L57-V205 HydrophobicContact CD2-CG1 3.55Å; L57-V205 HydrophobicContact CG-CG1 3.74Å; L57-R206 PolarHBondContact N-O 3.33Å; L57-D207 HydrophobicContact CD1-CB 4.12Å
58	H	94.6	Very high	96.6	Very high	26 Å²	26	51.2 Å²	51.2	12%	0.12	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-39.6	174.7	-85.4	-64.4	0	0	0	112.5	E56 S61 F62 R121 T188 F191 S209	E56-H58 VanDerWaalsContact C-N 3.31Å; E56-H58 PolarHBondContact O-N 3.46Å; H58-S61 PolarHBondContact O-N 3.45Å; H58-F62 WeakPolarHBondContact O-CB 3.22Å; H58-F62 PolarHBondContact O-N 3.03Å; H58-R121 PolarHBondContact NE2-NH2 2.93Å; H58-T188 PolarHBondContact CE1-OG1 3Å; H58-T188 VanDerWaalsContact CE1-OG1 3.28Å; H58-F191 AromaticContact CE1-CE2 3.69Å; H58-F191 AromaticContact CG-CE2 3.8Å; H58-F191 AromaticContact ND1-CE2 3.61Å; H58-F191 AromaticContact NE2-CE2 3.99Å; H58-S209 PolarHBondContact NE2-OG 3.36Å
59	T	95.9	Very high	96.6	Very high	32 Å²	32	47.6 Å²	47.6	20%	0.196	24%	0.242	C	C	.	.	H	α-helix	trans	-68.1	-42.4	177.1	-57.2	0	0	0	0	111.1	F47 L50 I51 E56 L57 F62 F63	F47-T59 HydrophobicContact CD1-CG2 4.03Å; F47-T59 HydrophobicContact CE1-CG2 4.42Å; L50-T59 HydrophobicContact CB-CG2 3.96Å; I51-T59 HydrophobicContact CG1-CG2 4.08Å; E56-T59 WeakPolarHBondContact O-CB 3.41Å; E56-T59 PolarHBondContact O-N 2.96Å; L57-T59 PolarHBondContact O-N 2.86Å; T59-F62 PolarHBondContact O-N 2.88Å; T59-F63 PolarHBondContact O-N 3.04Å
60	I	97.4	Very high	96.6	Very high	51 Å²	51	47.7 Å²	47.7	26%	0.262	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-44.1	175.7	-65.6	165.4	0	0	0	110.3	I51 E56 L57 F63 T64 V205	I51-I60 HydrophobicContact CD1-CG1 4.38Å; I51-I60 HydrophobicContact CG1-CG1 3.94Å; I51-I60 HydrophobicContact CG2-CG1 4.03Å; E56-I60 WeakPolarHBondContact O-CG1 3.23Å; E56-I60 PolarHBondContact O-N 2.9Å; L57-I60 PolarHBondContact O-N 2.83Å; I60-F63 PolarHBondContact O-N 3.23Å; I60-T64 WeakPolarHBondContact O-CB 3.4Å; I60-T64 PolarHBondContact O-N 3.34Å; I60-T64 PolarHBondContact O-OG1 3.18Å; I60-V205 HydrophobicContact CD1-CG1 4.41Å
61	S	97.7	Very high	96.7	Very high	7 Å²	7	45.4 Å²	45.4	5%	0.049	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-46.4	175.6	-175.1	0	0	0	0	111.6	L57 H58 F63 T64 G65 W179 T183 L187	L57-S61 WeakPolarHBondContact O-CB 3.38Å; L57-S61 PolarHBondContact O-N 2.78Å; H58-S61 PolarHBondContact O-N 3.45Å; S61-F63 PolarHBondContact O-N 2.93Å; S61-T64 WeakPolarHBondContact O-CB 3.3Å; S61-T64 PolarHBondContact O-N 3.44Å; S61-G65 PolarHBondContact O-N 2.92Å; S61-W179 PolarHBondContact O-NE1 2.95Å; S61-T183 WeakPolarHBondContact OG-CG2 2.92Å; S61-T183 PolarHBondContact OG-OG1 2.71Å; S61-L187 VanDerWaalsContact OG-CD1 3.24Å; S61-L187 WeakPolarHBondContact OG-CD1 3.49Å
62	F	97.8	Very high	96.7	Very high	18 Å²	18	45.8 Å²	45.8	8%	0.079	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-46.5	179.2	-172.2	-176.9	0	0	0	111	F47 H58 T59 T64 G65 V66 F109 F110 Y113 F114	F47-F62 HydrophobicContact CE1-CB 4.01Å; F47-F62 AromaticContact CE1-CD1 3.68Å; F47-F62 HydrophobicContact CE1-CD1 3.68Å; F47-F62 HydrophobicContact CE1-CD2 4.45Å; F47-F62 HydrophobicContact CE1-CE1 4.25Å; F47-F62 AromaticContact CE1-CG 3.79Å; F47-F62 HydrophobicContact CE1-CG 3.79Å; F47-F62 HydrophobicContact CZ-CB 4.37Å; F47-F62 AromaticContact CZ-CD1 3.55Å; F47-F62 HydrophobicContact CZ-CD1 3.55Å; F47-F62 AromaticContact CZ-CD2 3.95Å; F47-F62 HydrophobicContact CZ-CD2 3.95Å; F47-F62 AromaticContact CZ-CE1 3.69Å; F47-F62 HydrophobicContact CZ-CE1 3.69Å; F47-F62 HydrophobicContact CZ-CE2 4.05Å; F47-F62 AromaticContact CZ-CG 3.68Å; F47-F62 HydrophobicContact CZ-CG 3.68Å; F47-F62 AromaticContact CZ-CZ 3.93Å; F47-F62 HydrophobicContact CZ-CZ 3.93Å; H58-F62 WeakPolarHBondContact O-CB 3.22Å; H58-F62 PolarHBondContact O-N 3.03Å; T59-F62 PolarHBondContact O-N 2.88Å; F62-T64 VanDerWaalsContact C-N 3.32Å; F62-T64 PolarHBondContact O-N 3.38Å; F62-G65 WeakPolarHBondContact O-CA 3.45Å; F62-G65 PolarHBondContact O-N 3.36Å; F62-G65 VanDerWaalsContact O-N 3.11Å; F62-V66 HydrophobicContact CD2-CG2 4.27Å; F62-V66 HydrophobicContact CE2-CG2 4.22Å; F62-V66 PolarHBondContact O-N 3.13Å; F62-F109 AromaticContact CD2-CE1 3.87Å; F62-F109 HydrophobicContact CD2-CE1 3.87Å; F62-F109 HydrophobicContact CE2-CD1 4.08Å; F62-F109 AromaticContact CE2-CE1 3.64Å; F62-F109 HydrophobicContact CE2-CE1 3.64Å; F62-F110 HydrophobicContact CE1-CD2 4.17Å; F62-F110 HydrophobicContact CE1-CE2 4.13Å; F62-F110 HydrophobicContact CE2-CD2 4.32Å; F62-F110 AromaticContact CZ-CD2 3.58Å; F62-F110 HydrophobicContact CZ-CD2 3.58Å; F62-F110 HydrophobicContact CZ-CE2 4.01Å; F62-F110 HydrophobicContact CZ-CG 4.3Å; F62-Y113 HydrophobicContact CB-CE1 3.94Å; F62-Y113 AromaticContact CD1-CD1 3.57Å; F62-Y113 HydrophobicContact CD1-CD1 3.57Å; F62-Y113 AromaticContact CD1-CE1 3.53Å; F62-Y113 HydrophobicContact CD1-CE1 3.53Å; F62-Y113 AromaticContact CD2-CD1 3.53Å; F62-Y113 HydrophobicContact CD2-CD1 3.53Å; F62-Y113 HydrophobicContact CD2-CD2 4.04Å; F62-Y113 AromaticContact CD2-CE1 3.74Å; F62-Y113 HydrophobicContact CD2-CE1 3.74Å; F62-Y113 HydrophobicContact CD2-CE2 4.22Å; F62-Y113 AromaticContact CD2-CG 3.69Å; F62-Y113 HydrophobicContact CD2-CG 3.69Å; F62-Y113 AromaticContact CE1-CD1 3.43Å; F62-Y113 HydrophobicContact CE1-CD1 3.43Å; F62-Y113 VanDerWaalsContact CE1-CD1 3.43Å; F62-Y113 AromaticContact CE1-CE1 3.9Å; F62-Y113 HydrophobicContact CE1-CE1 3.9Å; F62-Y113 HydrophobicContact CE1-CG 4.26Å; F62-Y113 AromaticContact CE2-CD1 3.42Å; F62-Y113 HydrophobicContact CE2-CD1 3.42Å; F62-Y113 VanDerWaalsContact CE2-CD1 3.42Å; F62-Y113 HydrophobicContact CE2-CD2 4.12Å; F62-Y113 HydrophobicContact CE2-CE1 4.12Å; F62-Y113 AromaticContact CE2-CG 3.41Å; F62-Y113 HydrophobicContact CE2-CG 3.41Å; F62-Y113 VanDerWaalsContact CE2-CG 3.41Å; F62-Y113 AromaticContact CG-CD1 3.64Å; F62-Y113 HydrophobicContact CG-CD1 3.64Å; F62-Y113 AromaticContact CG-CE1 3.46Å; F62-Y113 HydrophobicContact CG-CE1 3.46Å; F62-Y113 VanDerWaalsContact CG-CE1 3.46Å; F62-Y113 HydrophobicContact CG-CG 4.28Å; F62-Y113 AromaticContact CG-CZ 3.95Å; F62-Y113 AromaticContact CZ-CD1 3.36Å; F62-Y113 HydrophobicContact CZ-CD1 3.36Å; F62-Y113 HydrophobicContact CZ-CE1 4.19Å; F62-Y113 AromaticContact CZ-CG 3.73Å; F62-Y113 HydrophobicContact CZ-CG 3.73Å; F62-F114 HydrophobicContact CE1-CD2 4.37Å
63	F	98.3	Very high	96.7	Very high	37 Å²	37	41.7 Å²	41.7	16%	0.162	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-40.8	175.2	-176.3	-118.7	0	0	0	112.6	L44 F47 V48 I51 T59 I60 S61 G65 V66 L67	L44-F63 HydrophobicContact CD2-CE2 3.87Å; F47-F63 HydrophobicContact CB-CB 4.19Å; F47-F63 HydrophobicContact CB-CD2 3.33Å; F47-F63 HydrophobicContact CB-CE2 3.86Å; F47-F63 HydrophobicContact CB-CG 3.93Å; F47-F63 HydrophobicContact CD1-CB 3.82Å; F47-F63 HydrophobicContact CD1-CD2 4.29Å; F47-F63 HydrophobicContact CD1-CG 4.45Å; F47-F63 AromaticContact CD2-CD2 3.96Å; F47-F63 HydrophobicContact CD2-CD2 3.96Å; F47-F63 HydrophobicContact CE1-CB 4.38Å; F47-F63 HydrophobicContact CG-CB 4.05Å; F47-F63 AromaticContact CG-CD2 3.63Å; F47-F63 HydrophobicContact CG-CD2 3.63Å; F47-F63 HydrophobicContact CG-CE2 4.5Å; F47-F63 HydrophobicContact CG-CG 4.21Å; V48-F63 HydrophobicContact CG2-CZ 4.06Å; I51-F63 HydrophobicContact CD1-CB 3.69Å; I51-F63 HydrophobicContact CD1-CD1 3.48Å; I51-F63 VanDerWaalsContact CD1-CD1 3.48Å; I51-F63 HydrophobicContact CD1-CE1 4.28Å; I51-F63 HydrophobicContact CD1-CG 3.73Å; T59-F63 PolarHBondContact O-N 3.04Å; I60-F63 PolarHBondContact O-N 3.23Å; S61-F63 PolarHBondContact O-N 2.93Å; F63-G65 VanDerWaalsContact C-N 3.28Å; F63-G65 PolarHBondContact O-N 3.34Å; F63-V66 WeakPolarHBondContact O-CB 3.41Å; F63-V66 PolarHBondContact O-N 2.83Å; F63-V66 VanDerWaalsContact O-N 3.08Å; F63-L67 HydrophobicContact CD1-CD1 4.1Å; F63-L67 HydrophobicContact CD1-CG 4.47Å; F63-L67 HydrophobicContact CE1-CD1 3.7Å; F63-L67 HydrophobicContact CE1-CD2 4.42Å; F63-L67 HydrophobicContact CE1-CG 4.17Å; F63-L67 HydrophobicContact CE2-CD2 4.31Å; F63-L67 HydrophobicContact CE2-CG 4.48Å; F63-L67 HydrophobicContact CZ-CD1 4.13Å; F63-L67 HydrophobicContact CZ-CD2 3.99Å; F63-L67 HydrophobicContact CZ-CG 4.18Å; F63-L67 WeakPolarHBondContact O-CG 3.33Å; F63-L67 PolarHBondContact O-N 3.05Å
64	T	98.4	Very high	96.8	Very high	55 Å²	55	42.1 Å²	42.1	34%	0.337	21%	0.211	S	C	.	.	H	α-helix	trans	-58.1	-42.6	174.1	-57.5	0	0	0	0	111.1	I60 S61 F62 V66 L67 L68 W179	I60-T64 WeakPolarHBondContact O-CB 3.4Å; I60-T64 PolarHBondContact O-N 3.34Å; I60-T64 PolarHBondContact O-OG1 3.18Å; S61-T64 WeakPolarHBondContact O-CB 3.3Å; S61-T64 PolarHBondContact O-N 3.44Å; F62-T64 VanDerWaalsContact C-N 3.32Å; F62-T64 PolarHBondContact O-N 3.38Å; T64-V66 VanDerWaalsContact C-N 3.34Å; T64-V66 PolarHBondContact O-N 3.07Å; T64-L67 PolarHBondContact O-N 3.47Å; T64-L68 HydrophobicContact CG2-CD1 4.21Å; T64-L68 WeakPolarHBondContact O-CG 3.19Å; T64-L68 PolarHBondContact O-N 3.22Å; T64-W179 HydrophobicContact CG2-CH2 4.09Å; T64-W179 HydrophobicContact CG2-CZ2 3.93Å
65	G	98.4	Very high	96.9	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-60.6	-40	173.9	0	0	0	0	0	113.4	S61 F62 F63 L68 N69 F109 W179	S61-G65 PolarHBondContact O-N 2.92Å; F62-G65 WeakPolarHBondContact O-CA 3.45Å; F62-G65 PolarHBondContact O-N 3.36Å; F62-G65 VanDerWaalsContact O-N 3.11Å; F63-G65 VanDerWaalsContact C-N 3.28Å; F63-G65 PolarHBondContact O-N 3.34Å; G65-L68 PolarHBondContact O-N 3.05Å; G65-N69 VanDerWaalsContact O-CB 3.28Å; G65-N69 WeakPolarHBondContact O-CB 3.49Å; G65-N69 PolarHBondContact O-N 3.46Å; G65-F109 WeakPolarHBondContact O-CZ 3.24Å; G65-W179 VanDerWaalsContact CA-CE2 3.43Å; G65-W179 VanDerWaalsContact CA-NE1 3.31Å
66	V	98.2	Very high	96.9	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	21%	0.213	C	C	.	.	H	α-helix	trans	-61.3	-44.7	174.2	176.6	0	0	0	0	110.9	L44 F47 F62 F63 T64 N69 E70 L106 F109	L44-V66 HydrophobicContact CD2-CG1 3.65Å; F47-V66 HydrophobicContact CE2-CG2 4.06Å; F47-V66 HydrophobicContact CZ-CG2 4.41Å; F62-V66 HydrophobicContact CD2-CG2 4.27Å; F62-V66 HydrophobicContact CE2-CG2 4.22Å; F62-V66 PolarHBondContact O-N 3.13Å; F63-V66 WeakPolarHBondContact O-CB 3.41Å; F63-V66 PolarHBondContact O-N 2.83Å; F63-V66 VanDerWaalsContact O-N 3.08Å; T64-V66 VanDerWaalsContact C-N 3.34Å; T64-V66 PolarHBondContact O-N 3.07Å; V66-N69 WeakPolarHBondContact O-CB 3.45Å; V66-N69 PolarHBondContact O-N 3.23Å; V66-E70 PolarHBondContact O-N 2.87Å; V66-L106 HydrophobicContact CG1-CD1 4.28Å; V66-L106 HydrophobicContact CG1-CG 4.15Å; V66-F109 HydrophobicContact CB-CE1 4.36Å; V66-F109 HydrophobicContact CG2-CD1 3.75Å; V66-F109 HydrophobicContact CG2-CE1 3.59Å
67	L	98.1	Very high	96.8	Very high	91 Å²	91	41 Å²	41	48%	0.476	22%	0.216	S	C	.	.	H	α-helix	trans	-65.3	-40.6	178.2	-63.8	-179.6	0	0	0	112.5	F63 T64 N69 E70 G71	F63-L67 HydrophobicContact CD1-CD1 4.1Å; F63-L67 HydrophobicContact CD1-CG 4.47Å; F63-L67 HydrophobicContact CE1-CD1 3.7Å; F63-L67 HydrophobicContact CE1-CD2 4.42Å; F63-L67 HydrophobicContact CE1-CG 4.17Å; F63-L67 HydrophobicContact CE2-CD2 4.31Å; F63-L67 HydrophobicContact CE2-CG 4.48Å; F63-L67 HydrophobicContact CZ-CD1 4.13Å; F63-L67 HydrophobicContact CZ-CD2 3.99Å; F63-L67 HydrophobicContact CZ-CG 4.18Å; F63-L67 WeakPolarHBondContact O-CG 3.33Å; F63-L67 PolarHBondContact O-N 3.05Å; T64-L67 PolarHBondContact O-N 3.47Å; L67-N69 VanDerWaalsContact C-N 3.34Å; L67-E70 WeakPolarHBondContact O-CB 3.35Å; L67-E70 PolarHBondContact O-N 2.96Å; L67-G71 PolarHBondContact O-N 2.85Å
68	L	98.2	Very high	96.7	Very high	83 Å²	83	44 Å²	44	44%	0.435	23%	0.229	S	C	.	.	H	α-helix	trans	-65.3	-39.4	174.8	-70.3	173	0	0	0	111.5	T64 G65 E70 G71 V72 W179	T64-L68 HydrophobicContact CG2-CD1 4.21Å; T64-L68 WeakPolarHBondContact O-CG 3.19Å; T64-L68 PolarHBondContact O-N 3.22Å; G65-L68 PolarHBondContact O-N 3.05Å; L68-E70 VanDerWaalsContact C-N 3.34Å; L68-G71 WeakPolarHBondContact O-CA 3.45Å; L68-G71 PolarHBondContact O-N 3.28Å; L68-V72 WeakPolarHBondContact O-CG2 3.4Å; L68-V72 PolarHBondContact O-N 3.38Å; L68-W179 HydrophobicContact CD1-CE3 4Å; L68-W179 HydrophobicContact CD1-CH2 3.47Å; L68-W179 VanDerWaalsContact CD1-CH2 3.47Å; L68-W179 HydrophobicContact CD1-CZ2 4.25Å; L68-W179 HydrophobicContact CD1-CZ3 3.32Å
69	N	98	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-62.3	-40.2	174.4	178.7	64.9	0	0	0	112	G65 V66 L67 V72 N73 Q105 F109 M175	G65-N69 VanDerWaalsContact O-CB 3.28Å; G65-N69 WeakPolarHBondContact O-CB 3.49Å; G65-N69 PolarHBondContact O-N 3.46Å; V66-N69 WeakPolarHBondContact O-CB 3.45Å; V66-N69 PolarHBondContact O-N 3.23Å; L67-N69 VanDerWaalsContact C-N 3.34Å; N69-V72 PolarHBondContact O-N 3.3Å; N69-N73 PolarHBondContact O-N 3.34Å; N69-Q105 PolarHBondContact ND2-O 2.77Å; N69-Q105 PolarHBondContact O-NE2 3.38Å; N69-Q105 PolarHBondContact OD1-NE2 3.22Å; N69-F109 HydrophobicContact CB-CD2 3.77Å; N69-F109 HydrophobicContact CB-CE2 4.07Å; N69-F109 HydrophobicContact CB-CG 4.19Å; N69-M175 WeakPolarHBondContact OD1-CB 3.3Å
70	E	96.3	Very high	96.6	Very high	65 Å²	65	51.3 Å²	51.3	30%	0.304	27%	0.266	S	S	.	.	H	α-helix	trans	-61.4	-44.1	171	-176.9	68	-146.2	0	0	111.4	V66 L67 L68 V72 N73 W74 N102	V66-E70 PolarHBondContact O-N 2.87Å; L67-E70 WeakPolarHBondContact O-CB 3.35Å; L67-E70 PolarHBondContact O-N 2.96Å; L68-E70 VanDerWaalsContact C-N 3.34Å; E70-V72 VanDerWaalsContact C-N 3.31Å; E70-V72 PolarHBondContact O-N 3.5Å; E70-N73 WeakPolarHBondContact O-CB 3.36Å; E70-N73 PolarHBondContact O-N 2.96Å; E70-N73 VanDerWaalsContact O-N 3.12Å; E70-W74 PolarHBondContact O-N 3.47Å; E70-N102 PolarHBondContact OE1-ND2 2.91Å; E70-N102 PolarHBondContact OE1-OD1 3.43Å; E70-N102 VanDerWaalsContact OE2-CG 3.23Å; E70-N102 PolarHBondContact OE2-ND2 2.76Å; E70-N102 PolarHBondContact OE2-OD1 3.03Å
71	G	96.9	Very high	96.3	Very high	36 Å²	36	56.1 Å²	56.1	37%	0.371	28%	0.281	S	S	.	.	H	α-helix	trans	-57	-43.4	174	0	0	0	0	0	112.5	L67 L68 W74 V75	L67-G71 PolarHBondContact O-N 2.85Å; L68-G71 WeakPolarHBondContact O-CA 3.45Å; L68-G71 PolarHBondContact O-N 3.28Å; G71-W74 PolarHBondContact O-N 3.28Å; G71-V75 WeakPolarHBondContact O-CG2 3.28Å; G71-V75 PolarHBondContact O-N 3.11Å
72	V	97.6	Very high	96	Very high	46 Å²	46	58.6 Å²	58.6	28%	0.279	29%	0.292	S	S	.	.	H	α-helix	trans	-63.7	-42.4	174.2	171.9	0	0	0	0	111.4	L68 N69 E70 W74 V75 L76 T171 M175	L68-V72 WeakPolarHBondContact O-CG2 3.4Å; L68-V72 PolarHBondContact O-N 3.38Å; N69-V72 PolarHBondContact O-N 3.3Å; E70-V72 VanDerWaalsContact C-N 3.31Å; E70-V72 PolarHBondContact O-N 3.5Å; V72-W74 VanDerWaalsContact C-N 3.31Å; V72-W74 PolarHBondContact O-N 2.95Å; V72-V75 PolarHBondContact O-N 3.38Å; V72-L76 HydrophobicContact CG1-CD1 3.77Å; V72-L76 HydrophobicContact CG1-CG 4.16Å; V72-L76 WeakPolarHBondContact O-CB 3.43Å; V72-L76 VanDerWaalsContact O-CG 3.28Å; V72-L76 WeakPolarHBondContact O-CG 3.5Å; V72-L76 PolarHBondContact O-N 3.49Å; V72-T171 HydrophobicContact CG1-CG2 4.23Å; V72-M175 HydrophobicContact CG2-CE 3.92Å; V72-M175 HydrophobicContact CG2-SD 4.26Å
73	N	96.6	Very high	95.6	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-56.6	-47.8	174.6	-174.9	-93.4	0	0	0	111	N69 E70 L76 K77 P100 N102 Q105	N69-N73 PolarHBondContact O-N 3.34Å; E70-N73 WeakPolarHBondContact O-CB 3.36Å; E70-N73 PolarHBondContact O-N 2.96Å; E70-N73 VanDerWaalsContact O-N 3.12Å; N73-L76 PolarHBondContact O-N 3.45Å; N73-K77 WeakPolarHBondContact O-CG 3.39Å; N73-K77 PolarHBondContact O-N 3.31Å; N73-K77 WeakPolarHBondContact OD1-CD 3.4Å; N73-K77 WeakPolarHBondContact OD1-CE 3.24Å; N73-K77 PolarHBondContact OD1-NZ 2.88Å; N73-P100 PolarHBondContact ND2-O 3.04Å; N73-N102 WeakPolarHBondContact OD1-CB 3.49Å; N73-Q105 PolarHBondContact ND2-OE1 3.34Å
74	W	94.8	Very high	95.1	Very high	154 Å²	154	62.1 Å²	62.1	58%	0.583	32%	0.315	S	S	*	.	H	α-helix	trans	-59.8	-48.2	178.9	-179.1	91.2	0	0	0	111.4	E70 G71 V72 L76 K77 H78	E70-W74 PolarHBondContact O-N 3.47Å; G71-W74 PolarHBondContact O-N 3.28Å; V72-W74 VanDerWaalsContact C-N 3.31Å; V72-W74 PolarHBondContact O-N 2.95Å; W74-L76 PolarHBondContact O-N 2.92Å; W74-K77 PolarHBondContact O-N 3.41Å; W74-H78 AromaticContact CD1-CE1 3.64Å; W74-H78 AromaticContact CD2-CE1 3.89Å; W74-H78 AromaticContact CD2-ND1 3.78Å; W74-H78 AromaticContact CE2-CE1 3.32Å; W74-H78 AromaticContact CE2-ND1 3.63Å; W74-H78 AromaticContact CZ2-CE1 3.75Å; W74-H78 AromaticContact NE1-CE1 3.17Å; W74-H78 PolarHBondContact NE1-CE1 2.7Å; W74-H78 AromaticContact NE1-ND1 3.84Å; W74-H78 AromaticContact NE1-NE2 3.99Å; W74-H78 PolarHBondContact O-N 3.36Å; W74-H78 PolarHBondContact O-ND1 2.91Å
75	V	96.3	Very high	94.5	Very high	69 Å²	69	61 Å²	61	42%	0.418	31%	0.309	S	S	.	.	H	α-helix	trans	-59.8	-49.2	177.2	171.3	0	0	0	0	111.1	G71 V72 K77 H78 I79	G71-V75 WeakPolarHBondContact O-CG2 3.28Å; G71-V75 PolarHBondContact O-N 3.11Å; V72-V75 PolarHBondContact O-N 3.38Å; V75-K77 VanDerWaalsContact C-N 3.3Å; V75-K77 PolarHBondContact O-N 3.22Å; V75-H78 PolarHBondContact O-N 3.43Å; V75-H78 VanDerWaalsContact O-N 3.09Å; V75-I79 HydrophobicContact CG1-CD1 3.69Å; V75-I79 HydrophobicContact CG1-CG1 4.42Å; V75-I79 WeakPolarHBondContact O-CG1 3.39Å; V75-I79 PolarHBondContact O-N 3.13Å; V75-I79 VanDerWaalsContact O-N 3.1Å
76	L	95.6	Very high	93.5	Very high	46 Å²	46	61.5 Å²	61.5	24%	0.241	31%	0.312	C	S	.	.	H	α-helix	trans	-61.1	-38.3	-178.6	-71.5	174.9	0	0	0	112.3	V72 N73 W74 H78 I79 L80 P100 T171	V72-L76 HydrophobicContact CG1-CD1 3.77Å; V72-L76 HydrophobicContact CG1-CG 4.16Å; V72-L76 WeakPolarHBondContact O-CB 3.43Å; V72-L76 VanDerWaalsContact O-CG 3.28Å; V72-L76 WeakPolarHBondContact O-CG 3.5Å; V72-L76 PolarHBondContact O-N 3.49Å; N73-L76 PolarHBondContact O-N 3.45Å; W74-L76 PolarHBondContact O-N 2.92Å; L76-H78 VanDerWaalsContact C-N 3.3Å; L76-H78 PolarHBondContact O-N 2.93Å; L76-I79 PolarHBondContact O-N 2.91Å; L76-L80 WeakPolarHBondContact O-CB 3.47Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 2.89Å; L76-P100 HydrophobicContact CB-CG 4.13Å; L76-P100 HydrophobicContact CD1-CG 4.02Å; L76-T171 HydrophobicContact CD1-CG2 3.75Å
77	K	92.8	Very high	92.1	Very high	26 Å²	26	65.5 Å²	65.5	11%	0.113	35%	0.345	C	S	.	.	H	α-helix	trans	-60.1	-39.5	174.6	-80.8	178.3	174.5	-179.4	0	113.1	N73 W74 V75 I79 R81 Y97 M99 P100	N73-K77 WeakPolarHBondContact O-CG 3.39Å; N73-K77 PolarHBondContact O-N 3.31Å; N73-K77 WeakPolarHBondContact OD1-CD 3.4Å; N73-K77 WeakPolarHBondContact OD1-CE 3.24Å; N73-K77 PolarHBondContact OD1-NZ 2.88Å; W74-K77 PolarHBondContact O-N 3.41Å; V75-K77 VanDerWaalsContact C-N 3.3Å; V75-K77 PolarHBondContact O-N 3.22Å; K77-I79 VanDerWaalsContact C-N 3.32Å; K77-R81 WeakPolarHBondContact O-CA 3.37Å; K77-R81 PolarHBondContact O-N 2.93Å; K77-Y97 WeakPolarHBondContact O-CD2 3.37Å; K77-M99 VanDerWaalsContact CA-O 3.31Å; K77-M99 WeakPolarHBondContact CA-O 3.39Å; K77-M99 WeakPolarHBondContact CG-O 3.47Å; K77-P100 WeakPolarHBondContact CE-O 3.49Å
78	H	92.3	Very high	90.5	Very high	79 Å²	79	64.7 Å²	64.7	37%	0.366	36%	0.358	S	S	.	.	H	α-helix	trans	-77	-19.6	179.6	-70.1	80.8	0	0	0	113.2	W74 V75 L76 R81	W74-H78 AromaticContact CD1-CE1 3.64Å; W74-H78 AromaticContact CD2-CE1 3.89Å; W74-H78 AromaticContact CD2-ND1 3.78Å; W74-H78 AromaticContact CE2-CE1 3.32Å; W74-H78 AromaticContact CE2-ND1 3.63Å; W74-H78 AromaticContact CZ2-CE1 3.75Å; W74-H78 AromaticContact NE1-CE1 3.17Å; W74-H78 PolarHBondContact NE1-CE1 2.7Å; W74-H78 AromaticContact NE1-ND1 3.84Å; W74-H78 AromaticContact NE1-NE2 3.99Å; W74-H78 PolarHBondContact O-N 3.36Å; W74-H78 PolarHBondContact O-ND1 2.91Å; V75-H78 PolarHBondContact O-N 3.43Å; V75-H78 VanDerWaalsContact O-N 3.09Å; L76-H78 VanDerWaalsContact C-N 3.3Å; L76-H78 PolarHBondContact O-N 2.93Å; H78-R81 WeakPolarHBondContact O-CG 3.48Å; H78-R81 PolarHBondContact O-NE 3.03Å
79	I	95.2	Very high	89.1	Confident	117 Å²	117	61.9 Å²	61.9	60%	0.6	35%	0.346	S	S	*	.	H	α-helix	trans	-83.9	-52.5	173.6	-65.3	170	0	0	0	110.7	V75 L76 K77	V75-I79 HydrophobicContact CG1-CD1 3.69Å; V75-I79 HydrophobicContact CG1-CG1 4.42Å; V75-I79 WeakPolarHBondContact O-CG1 3.39Å; V75-I79 PolarHBondContact O-N 3.13Å; V75-I79 VanDerWaalsContact O-N 3.1Å; L76-I79 PolarHBondContact O-N 2.91Å; K77-I79 VanDerWaalsContact C-N 3.32Å
80	L	93.7	Very high	87.9	Confident	93 Å²	93	62.6 Å²	62.6	49%	0.487	35%	0.349	S	S	.	.	H	α-helix	trans	-78.2	-36.3	-171.9	-64.7	174.7	0	0	0	112.8	L76 E82 M99	L76-L80 WeakPolarHBondContact O-CB 3.47Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 2.89Å; L80-E82 PolarHBondContact O-N 2.77Å; L80-M99 HydrophobicContact CB-CG 4.36Å; L80-M99 HydrophobicContact CD1-CB 4.48Å; L80-M99 HydrophobicContact CD1-CG 3.55Å
81	R	91.8	Very high	86.5	Confident	152 Å²	152	64.8 Å²	64.8	57%	0.574	37%	0.367	S	S	*	.			trans	51.4	28.4	175.2	-57.3	-174.1	-177.1	-176.4	-1.8	115.2	K77 H78 Y97	K77-R81 WeakPolarHBondContact O-CA 3.37Å; K77-R81 PolarHBondContact O-N 2.93Å; H78-R81 WeakPolarHBondContact O-CG 3.48Å; H78-R81 PolarHBondContact O-NE 3.03Å; R81-Y97 VanDerWaalsContact C-CD1 3.48Å; R81-Y97 HydrophobicContact CB-CD1 3.78Å; R81-Y97 HydrophobicContact CB-CD2 4.49Å; R81-Y97 HydrophobicContact CB-CE1 3.53Å; R81-Y97 HydrophobicContact CB-CE2 4.26Å; R81-Y97 HydrophobicContact CB-CG 4.28Å; R81-Y97 HydrophobicContact CG-CD1 4.36Å; R81-Y97 HydrophobicContact CG-CD2 4.23Å; R81-Y97 HydrophobicContact CG-CE1 3.96Å; R81-Y97 HydrophobicContact CG-CE2 3.8Å; R81-Y97 HydrophobicContact CG-CG 4.5Å; R81-Y97 WeakPolarHBondContact O-CD1 3.3Å
82	E	90.3	Very high	85.1	Confident	59 Å²	59	65.1 Å²	65.1	28%	0.276	36%	0.362	S	S	.	.	P	Polyproline II helix	trans	-70.5	131.7	179	-165.6	-171.8	132	0	0	110.1	L80 Y97 G98 M99 Q164	L80-E82 PolarHBondContact O-N 2.77Å; E82-Y97 CarbonylContact O-C 3.54Å; E82-Y97 WeakPolarHBondContact O-CA 3.31Å; E82-G98 PolarHBondContact O-N 2.82Å; E82-M99 HydrophobicContact CB-CB 3.45Å; E82-M99 VanDerWaalsContact CB-CB 3.45Å; E82-M99 HydrophobicContact CB-CG 4.32Å; E82-M99 HydrophobicContact CG-CB 4.27Å; E82-M99 WeakPolarHBondContact OE2-CB 3.5Å; E82-M99 WeakPolarHBondContact OE2-CG 3.47Å; E82-Q164 WeakPolarHBondContact OE1-CG 3.47Å; E82-Q164 PolarHBondContact OE1-NE2 3Å
83	P	90.1	Very high	83.8	Confident	88 Å²	88	64.6 Å²	64.6	57%	0.571	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-70.3	156.8	-179	29.5	-35.8	0	0	0	112.2	Q164	P83-Q164 PolarHBondContact O-NE2 3.08Å
84	R	88.7	Confident	82.3	Confident	42 Å²	42	74.5 Å²	74.5	16%	0.158	40%	0.398	C	S	.	.	P	Polyproline II helix	trans	-72.2	155	169.7	-68.8	180	-177.1	-104.2	7.6	111.2	C86 A95 Y159 H160	R84-C86 PolarHBondContact O-N 3.02Å; R84-A95 PolarHBondContact NE-O 2.9Å; R84-Y159 PolarHBondContact NH1-O 3.39Å; R84-H160 PolarHBondContact NH1-CE1 3.42Å; R84-H160 PolarHBondContact NH1-NE2 3.13Å
85	P	85.1	Confident	80.9	Confident	32 Å²	32	69.8 Å²	69.8	21%	0.208	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-42.5	-175.5	18.2	-29.5	0	0	0	114.8	L3 C7 T161	L3-P85 HydrophobicContact CD2-CB 3.45Å; L3-P85 VanDerWaalsContact CD2-CB 3.45Å; C7-P85 PolarHBondContact SG-O 3.38Å; P85-T161 HydrophobicContact CB-CG2 3.87Å; P85-T161 HydrophobicContact CG-CG2 4.06Å
86	C	77.8	Confident	79.7	Confident	11 Å²	11	73.5 Å²	73.5	7%	0.074	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	73.1	175.9	-54.8	0	0	0	0	109.7	C7 R84 G88 S89	C7-C86 HydrophobicContact CB-CB 3.93Å; C7-C86 WeakPolarHBondContact CB-SG 3.44Å; C7-C86 VanDerWaalsContact SG-CA 3.57Å; C7-C86 WeakPolarHBondContact SG-CB 3.42Å; C7-C86 CovalentContact SG-SG 2.05Å; C7-C86 PolarHBondContact SG-SG 3Å; R84-C86 PolarHBondContact O-N 3.02Å; C86-G88 PolarHBondContact O-N 2.79Å; C86-S89 VanDerWaalsContact CB-OG 3.27Å; C86-S89 WeakPolarHBondContact CB-OG 3.48Å; C86-S89 WeakPolarHBondContact O-CB 3.24Å; C86-S89 PolarHBondContact O-N 3.09Å; C86-S89 PolarHBondContact O-OG 3.04Å
87	A	67.6	Low	79.3	Confident	86 Å²	86	74.4 Å²	74.4	71%	0.711	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	123.8	177.8	0	0	0	0	0	110.6
88	G	65.1	Low	79	Confident	73 Å²	73	73.1 Å²	73.1	75%	0.753	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	-2.9	-177.3	0	0	0	0	0	116	C86 H90	C86-G88 PolarHBondContact O-N 2.79Å; G88-H90 VanDerWaalsContact C-N 3.29Å
89	S	69.8	Low	78.9	Confident	24 Å²	24	69.9 Å²	69.9	17%	0.168	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-30	172.6	70.1	0	0	0	0	112.6	C86	C86-S89 VanDerWaalsContact CB-OG 3.27Å; C86-S89 WeakPolarHBondContact CB-OG 3.48Å; C86-S89 WeakPolarHBondContact O-CB 3.24Å; C86-S89 PolarHBondContact O-N 3.09Å; C86-S89 PolarHBondContact O-OG 3.04Å
90	H	72.3	Confident	79	Confident	16 Å²	16	64.4 Å²	64.4	7%	0.074	36%	0.356	C	S	.	.			trans	-105.4	114.3	179.4	-69	-67.8	0	0	0	110.8	W13 E22 G88 T92 V93 L157 Y159	W13-H90 AromaticContact CE3-CE1 3.77Å; W13-H90 AromaticContact CH2-CE1 3.63Å; W13-H90 AromaticContact CH2-NE2 3.99Å; W13-H90 AromaticContact CZ3-CE1 3.48Å; W13-H90 VanDerWaalsContact CZ3-CE1 3.48Å; W13-H90 WeakPolarHBondContact CZ3-CE1 3.46Å; E22-H90 WeakPolarHBondContact OE2-CA 3.32Å; E22-H90 VanDerWaalsContact OE2-CB 3.23Å; E22-H90 WeakPolarHBondContact OE2-CB 3.47Å; E22-H90 IonicContact OE2-CE1 3.96Å; E22-H90 IonicContact OE2-CG 3.37Å; E22-H90 IonicContact OE2-ND1 2.76Å; E22-H90 PolarHBondContact OE2-ND1 3.32Å; G88-H90 VanDerWaalsContact C-N 3.29Å; H90-T92 VanDerWaalsContact C-N 3.29Å; H90-T92 PolarHBondContact O-N 3.1Å; H90-V93 HydrophobicContact CB-CB 4.03Å; H90-V93 HydrophobicContact CB-CG2 3.65Å; H90-L157 PolarHBondContact NE2-O 3.2Å; H90-L157 VanDerWaalsContact NE2-O 3.09Å; H90-Y159 AromaticContact CE1-CE2 3.58Å; H90-Y159 AromaticContact CE1-CZ 3.75Å; H90-Y159 AromaticContact ND1-CZ 3.8Å; H90-Y159 AromaticContact NE2-CD2 3.91Å; H90-Y159 AromaticContact NE2-CE2 3.81Å
91	T	67.2	Low	79.1	Confident	111 Å²	111	60 Å²	60	68%	0.681	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-21.7	-176.2	61	0	0	0	0	112.7	E22	E22-T91 PolarHBondContact OE1-N 3.16Å; E22-T91 PolarHBondContact OE1-OG1 3.08Å; E22-T91 PolarHBondContact OE2-N 3.49Å
92	T	67.1	Low	79.2	Confident	42 Å²	42	54.1 Å²	54.1	26%	0.258	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-5.7	-178.4	58.2	0	0	0	0	113.7	H20 E22 H90 Y94	H20-T92 HydrophobicContact CB-CG2 4Å; H20-T92 PolarHBondContact O-OG1 3.42Å; E22-T92 HydrophobicContact CG-CG2 4.29Å; E22-T92 WeakPolarHBondContact OE1-CG2 3.45Å; E22-T92 PolarHBondContact OE1-N 2.61Å; E22-T92 PolarHBondContact OE1-OG1 3.33Å; H90-T92 VanDerWaalsContact C-N 3.29Å; H90-T92 PolarHBondContact O-N 3.1Å; T92-Y94 WeakPolarHBondContact O-CD2 3.33Å
93	V	70	Confident	79.5	Confident	36 Å²	36	53.7 Å²	53.7	22%	0.218	31%	0.311	C	S	.	.			trans	-100	93.8	-176.7	-178.4	0	0	0	0	110	H90 A95 Y159	H90-V93 HydrophobicContact CB-CB 4.03Å; H90-V93 HydrophobicContact CB-CG2 3.65Å; V93-A95 VanDerWaalsContact C-N 3.34Å; V93-Y159 HydrophobicContact CG2-CD1 3.99Å; V93-Y159 HydrophobicContact CG2-CE1 3.59Å
94	Y	64.1	Low	79.9	Confident	209 Å²	209	49.5 Å²	49.5	82%	0.82	28%	0.284	S	S	*	.			trans	-78	-15.6	179.8	-57.7	-77.1	0	0	0	114.3	T92	T92-Y94 WeakPolarHBondContact O-CD2 3.33Å
95	A	66.9	Low	80.3	Confident	54 Å²	54	47.5 Å²	47.5	45%	0.446	28%	0.276	S	S	.	.			trans	-88.4	111.8	-179.3	0	0	0	0	0	111.3	R84 V93 Y97	R84-A95 PolarHBondContact NE-O 2.9Å; V93-A95 VanDerWaalsContact C-N 3.34Å; A95-Y97 VanDerWaalsContact C-N 3.3Å; A95-Y97 PolarHBondContact O-N 3.46Å
96	E	70.8	Confident	80.9	Confident	148 Å²	148	46.2 Å²	46.2	69%	0.692	27%	0.268	S	S	*	.			trans	-64.4	-30.1	-177.6	-63.4	-175.9	169.8	0	0	113.4
97	Y	86.9	Confident	81.9	Confident	64 Å²	64	45.8 Å²	45.8	25%	0.251	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-91.9	129	-173.7	-50.2	-44.4	0	0	0	113.6	K77 R81 E82 A95	K77-Y97 WeakPolarHBondContact O-CD2 3.37Å; R81-Y97 VanDerWaalsContact C-CD1 3.48Å; R81-Y97 HydrophobicContact CB-CD1 3.78Å; R81-Y97 HydrophobicContact CB-CD2 4.49Å; R81-Y97 HydrophobicContact CB-CE1 3.53Å; R81-Y97 HydrophobicContact CB-CE2 4.26Å; R81-Y97 HydrophobicContact CB-CG 4.28Å; R81-Y97 HydrophobicContact CG-CD1 4.36Å; R81-Y97 HydrophobicContact CG-CD2 4.23Å; R81-Y97 HydrophobicContact CG-CE1 3.96Å; R81-Y97 HydrophobicContact CG-CE2 3.8Å; R81-Y97 HydrophobicContact CG-CG 4.5Å; R81-Y97 WeakPolarHBondContact O-CD1 3.3Å; E82-Y97 CarbonylContact O-C 3.54Å; E82-Y97 WeakPolarHBondContact O-CA 3.31Å; A95-Y97 VanDerWaalsContact C-N 3.3Å; A95-Y97 PolarHBondContact O-N 3.46Å
98	G	85.9	Confident	83.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.			trans	-98.6	-19.4	-175.9	0	0	0	0	0	115.2	E82 P100 S101 H160 Q164	E82-G98 PolarHBondContact O-N 2.82Å; G98-P100 CarbonylContact O-C 3.57Å; G98-P100 VanDerWaalsContact O-C 3.3Å; G98-S101 PolarHBondContact O-N 3.29Å; G98-H160 PolarHBondContact O-CE1 3.4Å; G98-H160 PolarHBondContact O-ND1 3.02Å; G98-Q164 PolarHBondContact O-OE1 3.36Å
99	M	91.8	Very high	85	Confident	11 Å²	11	40.7 Å²	40.7	5%	0.054	20%	0.204	C	C	.	.	S	Bend	trans	-107.3	128.7	-171.6	-178.1	70.6	142.5	0	0	113.3	K77 L80 E82 Q164 Y167	K77-M99 VanDerWaalsContact CA-O 3.31Å; K77-M99 WeakPolarHBondContact CA-O 3.39Å; K77-M99 WeakPolarHBondContact CG-O 3.47Å; L80-M99 HydrophobicContact CB-CG 4.36Å; L80-M99 HydrophobicContact CD1-CB 4.48Å; L80-M99 HydrophobicContact CD1-CG 3.55Å; E82-M99 HydrophobicContact CB-CB 3.45Å; E82-M99 VanDerWaalsContact CB-CB 3.45Å; E82-M99 HydrophobicContact CB-CG 4.32Å; E82-M99 HydrophobicContact CG-CB 4.27Å; E82-M99 WeakPolarHBondContact OE2-CB 3.5Å; E82-M99 WeakPolarHBondContact OE2-CG 3.47Å; M99-Q164 HydrophobicContact CB-CG 4.01Å; M99-Q164 HydrophobicContact SD-CB 4.26Å; M99-Q164 HydrophobicContact SD-CG 3.93Å; M99-Y167 HydrophobicContact CE-CD1 4.04Å; M99-Y167 HydrophobicContact CE-CD2 3.03Å; M99-Y167 HydrophobicContact CE-CE1 4.46Å; M99-Y167 HydrophobicContact CE-CE2 3.55Å; M99-Y167 HydrophobicContact CE-CG 3.29Å; M99-Y167 HydrophobicContact SD-CD2 4.03Å; M99-Y167 HydrophobicContact SD-CG 4.1Å
100	P	96	Very high	86.4	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.013	20%	0.203	C	C	.	.	S	Bend	cis	-77.9	159.9	-12.8	25.7	-26.5	0	0	0	112.8	N73 L76 K77 G98 N102	N73-P100 PolarHBondContact ND2-O 3.04Å; L76-P100 HydrophobicContact CB-CG 4.13Å; L76-P100 HydrophobicContact CD1-CG 4.02Å; K77-P100 WeakPolarHBondContact CE-O 3.49Å; G98-P100 CarbonylContact O-C 3.57Å; G98-P100 VanDerWaalsContact O-C 3.3Å; P100-N102 PolarHBondContact O-N 3.33Å
101	S	96.3	Very high	87.6	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.201	C	C	.	.			trans	-63.3	120.6	176.9	173.3	0	0	0	0	111.5	G98 S104 Q105 H160 Q164	G98-S101 PolarHBondContact O-N 3.29Å; S101-S104 PolarHBondContact O-N 3.01Å; S101-Q105 WeakPolarHBondContact O-CB 3.33Å; S101-Q105 PolarHBondContact O-N 3.11Å; S101-H160 PolarHBondContact OG-CD2 3.02Å; S101-Q164 WeakPolarHBondContact CB-O 3.47Å; S101-Q164 PolarHBondContact N-O 2.94Å
102	N	94.7	Very high	89.1	Confident	29 Å²	29	36.5 Å²	36.5	16%	0.155	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-44.7	-176.7	-171.4	26.1	0	0	0	112.6	E70 N73 P100 S104 Q105 L106	E70-N102 PolarHBondContact OE1-ND2 2.91Å; E70-N102 PolarHBondContact OE1-OD1 3.43Å; E70-N102 VanDerWaalsContact OE2-CG 3.23Å; E70-N102 PolarHBondContact OE2-ND2 2.76Å; E70-N102 PolarHBondContact OE2-OD1 3.03Å; N73-N102 WeakPolarHBondContact OD1-CB 3.49Å; P100-N102 PolarHBondContact O-N 3.33Å; N102-S104 VanDerWaalsContact C-N 3.29Å; N102-S104 PolarHBondContact O-N 2.64Å; N102-Q105 PolarHBondContact O-N 3.28Å; N102-L106 WeakPolarHBondContact O-CB 3.5Å; N102-L106 PolarHBondContact O-N 3.27Å
103	H	95.6	Very high	90.5	Very high	49 Å²	49	34.8 Å²	34.8	23%	0.227	17%	0.165	C	C	.	.	H	α-helix	trans	-61.8	-40	179.7	-74.1	53.3	0	0	0	111.7	S37 I107 V150 R154	S37-H103 PolarHBondContact O-CD2 2.94Å; S37-H103 PolarHBondContact O-NE2 3.37Å; H103-I107 WeakPolarHBondContact O-CB 3.42Å; H103-I107 VanDerWaalsContact O-CG2 3.3Å; H103-I107 WeakPolarHBondContact O-CG2 3.41Å; H103-I107 PolarHBondContact O-N 3.35Å; H103-I107 VanDerWaalsContact O-N 3.13Å; H103-V150 HydrophobicContact CB-CG1 4.18Å; H103-R154 HydrophobicContact CB-CG 3.95Å
104	S	97.8	Very high	91.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-68.1	-46.6	176.4	-165.9	0	0	0	0	110.8	S101 N102 L106 I107 W108 S151 V165	S101-S104 PolarHBondContact O-N 3.01Å; N102-S104 VanDerWaalsContact C-N 3.29Å; N102-S104 PolarHBondContact O-N 2.64Å; S104-L106 PolarHBondContact O-N 2.83Å; S104-I107 WeakPolarHBondContact O-CG2 3.34Å; S104-I107 PolarHBondContact O-N 3.43Å; S104-W108 WeakPolarHBondContact O-CB 3.34Å; S104-W108 PolarHBondContact O-N 3.39Å; S104-S151 PolarHBondContact OG-OG 3.2Å; S104-S151 VanDerWaalsContact OG-OG 3.04Å; S104-V165 PolarHBondContact OG-O 3Å
105	Q	98.4	Very high	93.1	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-60.2	-43.5	179.4	-166.8	178.6	-35.8	0	0	113	N69 N73 S101 N102 F109 G168 T171 G172	N69-Q105 PolarHBondContact ND2-O 2.77Å; N69-Q105 PolarHBondContact O-NE2 3.38Å; N69-Q105 PolarHBondContact OD1-NE2 3.22Å; N73-Q105 PolarHBondContact ND2-OE1 3.34Å; S101-Q105 WeakPolarHBondContact O-CB 3.33Å; S101-Q105 PolarHBondContact O-N 3.11Å; N102-Q105 PolarHBondContact O-N 3.28Å; Q105-F109 WeakPolarHBondContact O-CB 3.2Å; Q105-F109 PolarHBondContact O-N 2.97Å; Q105-G168 VanDerWaalsContact CA-O 3.24Å; Q105-G168 WeakPolarHBondContact CA-O 3.45Å; Q105-G168 WeakPolarHBondContact CB-O 3.33Å; Q105-T171 HydrophobicContact CG-CG2 4.28Å; Q105-G172 WeakPolarHBondContact O-CA 3.43Å
106	L	98.2	Very high	94.4	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.031	13%	0.129	C	C	.	.	H	α-helix	trans	-66.1	-49	178.1	-171.4	162.4	0	0	0	111.7	P40 L44 V66 N102 S104 W108 F109 F110	P40-L106 HydrophobicContact CB-CD1 4.16Å; P40-L106 HydrophobicContact CB-CD2 3.8Å; P40-L106 HydrophobicContact CB-CG 4.43Å; L44-L106 HydrophobicContact CD1-CD1 4.2Å; L44-L106 HydrophobicContact CD2-CD1 4.36Å; L44-L106 HydrophobicContact CG-CD1 4.35Å; V66-L106 HydrophobicContact CG1-CD1 4.28Å; V66-L106 HydrophobicContact CG1-CG 4.15Å; N102-L106 WeakPolarHBondContact O-CB 3.5Å; N102-L106 PolarHBondContact O-N 3.27Å; S104-L106 PolarHBondContact O-N 2.83Å; L106-W108 PolarHBondContact O-N 3.43Å; L106-F109 WeakPolarHBondContact O-CB 3.37Å; L106-F109 PolarHBondContact O-N 3.04Å; L106-F110 PolarHBondContact O-N 2.93Å
107	I	98.3	Very high	95.4	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.005	11%	0.11	C	C	.	.	H	α-helix	trans	-67.9	-37.4	-175.5	-160.9	62.9	0	0	0	112	L39 I43 H103 S104 F110 V111 A147 V150	L39-I107 HydrophobicContact CD2-CD1 4.09Å; L39-I107 HydrophobicContact CG-CD1 4.41Å; I43-I107 HydrophobicContact CD1-CD1 3.49Å; I43-I107 VanDerWaalsContact CD1-CD1 3.49Å; H103-I107 WeakPolarHBondContact O-CB 3.42Å; H103-I107 VanDerWaalsContact O-CG2 3.3Å; H103-I107 WeakPolarHBondContact O-CG2 3.41Å; H103-I107 PolarHBondContact O-N 3.35Å; H103-I107 VanDerWaalsContact O-N 3.13Å; S104-I107 WeakPolarHBondContact O-CG2 3.34Å; S104-I107 PolarHBondContact O-N 3.43Å; I107-F110 PolarHBondContact O-N 3.49Å; I107-V111 WeakPolarHBondContact O-CB 3.33Å; I107-V111 WeakPolarHBondContact O-CG2 3.47Å; I107-V111 PolarHBondContact O-N 2.94Å; I107-A147 HydrophobicContact CG1-CB 4.09Å; I107-A147 HydrophobicContact CG2-CB 4.09Å; I107-V150 HydrophobicContact CB-CB 4.5Å; I107-V150 HydrophobicContact CB-CG1 4.26Å; I107-V150 HydrophobicContact CG1-CB 4.33Å; I107-V150 HydrophobicContact CG1-CG2 4.25Å; I107-V150 HydrophobicContact CG2-CB 4.15Å; I107-V150 HydrophobicContact CG2-CG1 4Å
108	W	98.6	Very high	95.5	Very high	53 Å²	53	21.5 Å²	21.5	20%	0.201	10%	0.099	C	C	.	.	H	α-helix	trans	-70.4	-36.5	176	-80.1	99.6	0	0	0	112	S104 L106 V112 L144 A147 S151 A169	S104-W108 WeakPolarHBondContact O-CB 3.34Å; S104-W108 PolarHBondContact O-N 3.39Å; L106-W108 PolarHBondContact O-N 3.43Å; W108-V112 HydrophobicContact CE3-CG2 4.29Å; W108-V112 WeakPolarHBondContact O-CB 3.32Å; W108-V112 VanDerWaalsContact O-CG2 3.31Å; W108-V112 WeakPolarHBondContact O-CG2 3.2Å; W108-V112 PolarHBondContact O-N 3.47Å; W108-L144 HydrophobicContact CH2-CD2 4.4Å; W108-L144 HydrophobicContact CZ3-CD2 4.08Å; W108-A147 HydrophobicContact CD2-CB 4.17Å; W108-A147 HydrophobicContact CZ2-CB 4.27Å; W108-S151 PolarHBondContact NE1-OG 3.29Å; W108-S151 VanDerWaalsContact NE1-OG 3.09Å; W108-A169 HydrophobicContact CB-CB 4.36Å; W108-A169 HydrophobicContact CD2-CB 3.92Å; W108-A169 HydrophobicContact CG-CB 3.61Å
109	F	98.6	Very high	95.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-57	-51.3	170	178.1	-82.3	0	0	0	110.9	F62 G65 V66 N69 Q105 L106 V111 Y113 G172 M175 A176 W179	F62-F109 AromaticContact CD2-CE1 3.87Å; F62-F109 HydrophobicContact CD2-CE1 3.87Å; F62-F109 HydrophobicContact CE2-CD1 4.08Å; F62-F109 AromaticContact CE2-CE1 3.64Å; F62-F109 HydrophobicContact CE2-CE1 3.64Å; G65-F109 WeakPolarHBondContact O-CZ 3.24Å; V66-F109 HydrophobicContact CB-CE1 4.36Å; V66-F109 HydrophobicContact CG2-CD1 3.75Å; V66-F109 HydrophobicContact CG2-CE1 3.59Å; N69-F109 HydrophobicContact CB-CD2 3.77Å; N69-F109 HydrophobicContact CB-CE2 4.07Å; N69-F109 HydrophobicContact CB-CG 4.19Å; Q105-F109 WeakPolarHBondContact O-CB 3.2Å; Q105-F109 PolarHBondContact O-N 2.97Å; L106-F109 WeakPolarHBondContact O-CB 3.37Å; L106-F109 PolarHBondContact O-N 3.04Å; F109-V111 PolarHBondContact O-N 2.88Å; F109-Y113 HydrophobicContact CZ-CD2 4.45Å; F109-Y113 VanDerWaalsContact O-CB 3.24Å; F109-Y113 WeakPolarHBondContact O-CB 3.49Å; F109-Y113 PolarHBondContact O-N 3.23Å; F109-G172 WeakPolarHBondContact CA-O 3.48Å; F109-M175 HydrophobicContact CD2-CB 3.81Å; F109-M175 HydrophobicContact CE2-CB 4.05Å; F109-A176 HydrophobicContact CB-CB 4.42Å; F109-A176 HydrophobicContact CD2-CB 3.71Å; F109-A176 VanDerWaalsContact CD2-N 3.32Å; F109-A176 VanDerWaalsContact CE2-CA 3.47Å; F109-A176 HydrophobicContact CE2-CB 4.06Å; F109-A176 HydrophobicContact CG-CB 4.02Å; F109-A176 VanDerWaalsContact O-CB 3.28Å; F109-A176 WeakPolarHBondContact O-CB 3.39Å; F109-W179 HydrophobicContact CE2-CB 4.14Å; F109-W179 HydrophobicContact CZ-CB 4.15Å; F109-W179 HydrophobicContact CZ-CG 4.23Å
110	F	98.3	Very high	95.5	Very high	33 Å²	33	29.4 Å²	29.4	15%	0.145	14%	0.136	C	C	.	.	H	α-helix	trans	-59.3	-50.4	-179.2	177.1	-94.6	0	0	0	112	I43 F47 F62 L106 I107 F114 L143	I43-F110 HydrophobicContact CD1-CD1 3.91Å; I43-F110 HydrophobicContact CD1-CD2 4.46Å; I43-F110 HydrophobicContact CD1-CE1 4.13Å; I43-F110 HydrophobicContact CD1-CG 4.09Å; I43-F110 HydrophobicContact CD1-CZ 4.49Å; I43-F110 HydrophobicContact CG2-CD2 3.65Å; I43-F110 HydrophobicContact CG2-CE2 3.79Å; I43-F110 HydrophobicContact CG2-CG 4.24Å; I43-F110 HydrophobicContact CG2-CZ 4.5Å; F47-F110 AromaticContact CE2-CD2 3.85Å; F47-F110 HydrophobicContact CE2-CD2 3.85Å; F47-F110 AromaticContact CE2-CE2 3.91Å; F47-F110 HydrophobicContact CE2-CE2 3.91Å; F47-F110 HydrophobicContact CZ-CD2 4.05Å; F47-F110 AromaticContact CZ-CE2 3.97Å; F47-F110 HydrophobicContact CZ-CE2 3.97Å; F62-F110 HydrophobicContact CE1-CD2 4.17Å; F62-F110 HydrophobicContact CE1-CE2 4.13Å; F62-F110 HydrophobicContact CE2-CD2 4.32Å; F62-F110 AromaticContact CZ-CD2 3.58Å; F62-F110 HydrophobicContact CZ-CD2 3.58Å; F62-F110 HydrophobicContact CZ-CE2 4.01Å; F62-F110 HydrophobicContact CZ-CG 4.3Å; L106-F110 PolarHBondContact O-N 2.93Å; I107-F110 PolarHBondContact O-N 3.49Å; F110-F114 VanDerWaalsContact O-CB 3.28Å; F110-F114 WeakPolarHBondContact O-CB 3.24Å; F110-F114 PolarHBondContact O-N 2.85Å; F110-L143 HydrophobicContact CE1-CD2 4.14Å
111	V	97.9	Very high	94.8	Very high	3 Å²	3	33 Å²	33	2%	0.018	15%	0.15	C	C	.	.	H	α-helix	trans	-66.8	-43.6	-176	167.2	0	0	0	0	112	I107 F109 F114 F115 L143 L144 A147	I107-V111 WeakPolarHBondContact O-CB 3.33Å; I107-V111 WeakPolarHBondContact O-CG2 3.47Å; I107-V111 PolarHBondContact O-N 2.94Å; F109-V111 PolarHBondContact O-N 2.88Å; V111-F114 PolarHBondContact O-N 2.95Å; V111-F115 VanDerWaalsContact O-CB 3.29Å; V111-F115 WeakPolarHBondContact O-CB 3.43Å; V111-F115 PolarHBondContact O-N 3.12Å; V111-L143 HydrophobicContact CG1-CB 3.92Å; V111-L143 HydrophobicContact CG2-CB 4.03Å; V111-L143 HydrophobicContact CG2-CD2 4.45Å; V111-L143 WeakPolarHBondContact CG2-O 3.29Å; V111-L144 HydrophobicContact CG1-CD2 4Å; V111-L144 HydrophobicContact CG1-CG 4.46Å; V111-A147 HydrophobicContact CB-CB 4.33Å; V111-A147 HydrophobicContact CG2-CB 3.93Å
112	V	98.2	Very high	94	Very high	26 Å²	26	36.4 Å²	36.4	16%	0.158	17%	0.166	C	C	.	.	H	α-helix	trans	-67.1	-43.8	178.6	172.3	0	0	0	0	111	W108 F114 F115 L116 A176 I177	W108-V112 HydrophobicContact CE3-CG2 4.29Å; W108-V112 WeakPolarHBondContact O-CB 3.32Å; W108-V112 VanDerWaalsContact O-CG2 3.31Å; W108-V112 WeakPolarHBondContact O-CG2 3.2Å; W108-V112 PolarHBondContact O-N 3.47Å; V112-F114 VanDerWaalsContact C-N 3.32Å; V112-F114 PolarHBondContact O-N 2.85Å; V112-F115 WeakPolarHBondContact O-CB 3.24Å; V112-F115 PolarHBondContact O-N 3.47Å; V112-L116 HydrophobicContact CG1-CD1 4.24Å; V112-L116 WeakPolarHBondContact O-CG 3.34Å; V112-L116 PolarHBondContact O-N 3.48Å; V112-A176 HydrophobicContact CB-CB 3.99Å; V112-A176 HydrophobicContact CG1-CB 3.98Å; V112-I177 HydrophobicContact CG1-CD1 4.49Å; V112-I177 HydrophobicContact CG1-CG1 3.94Å
113	Y	97.8	Very high	92.8	Very high	6 Å²	6	41.4 Å²	41.4	2%	0.024	19%	0.188	C	C	.	.	H	α-helix	trans	-60.2	-44.7	176	-171.6	-76.4	0	0	0	111.2	F62 F109 F115 L116 F117 W179 F180	F62-Y113 HydrophobicContact CB-CE1 3.94Å; F62-Y113 AromaticContact CD1-CD1 3.57Å; F62-Y113 HydrophobicContact CD1-CD1 3.57Å; F62-Y113 AromaticContact CD1-CE1 3.53Å; F62-Y113 HydrophobicContact CD1-CE1 3.53Å; F62-Y113 AromaticContact CD2-CD1 3.53Å; F62-Y113 HydrophobicContact CD2-CD1 3.53Å; F62-Y113 HydrophobicContact CD2-CD2 4.04Å; F62-Y113 AromaticContact CD2-CE1 3.74Å; F62-Y113 HydrophobicContact CD2-CE1 3.74Å; F62-Y113 HydrophobicContact CD2-CE2 4.22Å; F62-Y113 AromaticContact CD2-CG 3.69Å; F62-Y113 HydrophobicContact CD2-CG 3.69Å; F62-Y113 AromaticContact CE1-CD1 3.43Å; F62-Y113 HydrophobicContact CE1-CD1 3.43Å; F62-Y113 VanDerWaalsContact CE1-CD1 3.43Å; F62-Y113 AromaticContact CE1-CE1 3.9Å; F62-Y113 HydrophobicContact CE1-CE1 3.9Å; F62-Y113 HydrophobicContact CE1-CG 4.26Å; F62-Y113 AromaticContact CE2-CD1 3.42Å; F62-Y113 HydrophobicContact CE2-CD1 3.42Å; F62-Y113 VanDerWaalsContact CE2-CD1 3.42Å; F62-Y113 HydrophobicContact CE2-CD2 4.12Å; F62-Y113 HydrophobicContact CE2-CE1 4.12Å; F62-Y113 AromaticContact CE2-CG 3.41Å; F62-Y113 HydrophobicContact CE2-CG 3.41Å; F62-Y113 VanDerWaalsContact CE2-CG 3.41Å; F62-Y113 AromaticContact CG-CD1 3.64Å; F62-Y113 HydrophobicContact CG-CD1 3.64Å; F62-Y113 AromaticContact CG-CE1 3.46Å; F62-Y113 HydrophobicContact CG-CE1 3.46Å; F62-Y113 VanDerWaalsContact CG-CE1 3.46Å; F62-Y113 HydrophobicContact CG-CG 4.28Å; F62-Y113 AromaticContact CG-CZ 3.95Å; F62-Y113 AromaticContact CZ-CD1 3.36Å; F62-Y113 HydrophobicContact CZ-CD1 3.36Å; F62-Y113 HydrophobicContact CZ-CE1 4.19Å; F62-Y113 AromaticContact CZ-CG 3.73Å; F62-Y113 HydrophobicContact CZ-CG 3.73Å; F109-Y113 HydrophobicContact CZ-CD2 4.45Å; F109-Y113 VanDerWaalsContact O-CB 3.24Å; F109-Y113 WeakPolarHBondContact O-CB 3.49Å; F109-Y113 PolarHBondContact O-N 3.23Å; Y113-F115 VanDerWaalsContact C-N 3.35Å; Y113-F115 PolarHBondContact O-N 2.93Å; Y113-L116 PolarHBondContact O-N 3.16Å; Y113-F117 WeakPolarHBondContact O-CB 3.42Å; Y113-F117 PolarHBondContact O-N 3.38Å; Y113-W179 AromaticContact CE2-CD1 3.7Å; Y113-F180 HydrophobicContact CD1-CD2 4.3Å; Y113-F180 HydrophobicContact CD2-CB 3.85Å; Y113-F180 HydrophobicContact CD2-CD2 4.09Å; Y113-F180 HydrophobicContact CE1-CD2 4.08Å; Y113-F180 HydrophobicContact CE2-CB 3.83Å; Y113-F180 AromaticContact CE2-CD2 3.86Å; Y113-F180 HydrophobicContact CE2-CD2 3.86Å; Y113-F180 HydrophobicContact CE2-CG 4.34Å; Y113-F180 HydrophobicContact CG-CD2 4.31Å; Y113-F180 AromaticContact CZ-CD2 3.86Å
114	F	94.9	Very high	91.1	Very high	55 Å²	55	41.5 Å²	41.5	24%	0.241	19%	0.189	C	C	.	.	H	α-helix	trans	-66.6	-37.4	179.1	-159.1	-90.8	0	0	0	111.9	F62 F110 V111 V112 F117 L118 L139 L143	F62-F114 HydrophobicContact CE1-CD2 4.37Å; F110-F114 VanDerWaalsContact O-CB 3.28Å; F110-F114 WeakPolarHBondContact O-CB 3.24Å; F110-F114 PolarHBondContact O-N 2.85Å; V111-F114 PolarHBondContact O-N 2.95Å; V112-F114 VanDerWaalsContact C-N 3.32Å; V112-F114 PolarHBondContact O-N 2.85Å; F114-F117 WeakPolarHBondContact O-CB 3.33Å; F114-F117 PolarHBondContact O-N 2.83Å; F114-L118 HydrophobicContact CD1-CD1 3.71Å; F114-L118 HydrophobicContact CD1-CD2 4.35Å; F114-L118 HydrophobicContact CD1-CG 3.79Å; F114-L118 HydrophobicContact CE1-CD1 3.73Å; F114-L118 HydrophobicContact CE1-CD2 3.78Å; F114-L118 HydrophobicContact CE1-CG 3.73Å; F114-L118 HydrophobicContact CZ-CD2 4.4Å; F114-L118 WeakPolarHBondContact O-CG 3.14Å; F114-L118 PolarHBondContact O-N 3.04Å; F114-L139 HydrophobicContact CE1-CD2 3.82Å; F114-L139 HydrophobicContact CE1-CG 4.37Å; F114-L143 HydrophobicContact CB-CD1 4.33Å; F114-L143 HydrophobicContact CD1-CD1 3.34Å; F114-L143 HydrophobicContact CE1-CD1 3.96Å; F114-L143 HydrophobicContact CG-CD1 4.14Å
115	F	93.9	Very high	89.2	Confident	85 Å²	85	43.9 Å²	43.9	37%	0.373	20%	0.204	S	C	.	.	H	α-helix	trans	-59.5	-50	172.5	-177	-91.9	0	0	0	111.3	V111 V112 Y113 F117 L118 Y119	V111-F115 VanDerWaalsContact O-CB 3.29Å; V111-F115 WeakPolarHBondContact O-CB 3.43Å; V111-F115 PolarHBondContact O-N 3.12Å; V112-F115 WeakPolarHBondContact O-CB 3.24Å; V112-F115 PolarHBondContact O-N 3.47Å; Y113-F115 VanDerWaalsContact C-N 3.35Å; Y113-F115 PolarHBondContact O-N 2.93Å; F115-F117 VanDerWaalsContact C-N 3.27Å; F115-F117 PolarHBondContact O-N 3.45Å; F115-L118 PolarHBondContact O-N 2.92Å; F115-Y119 HydrophobicContact CD1-CD2 4.18Å; F115-Y119 AromaticContact CD2-CD2 3.84Å; F115-Y119 HydrophobicContact CD2-CD2 3.84Å; F115-Y119 AromaticContact CD2-CE2 3.63Å; F115-Y119 HydrophobicContact CD2-CE2 3.63Å; F115-Y119 AromaticContact CE1-CD2 3.96Å; F115-Y119 HydrophobicContact CE1-CD2 3.96Å; F115-Y119 HydrophobicContact CE1-CE2 4.39Å; F115-Y119 AromaticContact CE2-CD2 3.63Å; F115-Y119 HydrophobicContact CE2-CD2 3.63Å; F115-Y119 AromaticContact CE2-CE2 3.23Å; F115-Y119 HydrophobicContact CE2-CE2 3.23Å; F115-Y119 HydrophobicContact CG-CD2 4.12Å; F115-Y119 HydrophobicContact CG-CE2 4.36Å; F115-Y119 AromaticContact CZ-CD2 3.68Å; F115-Y119 HydrophobicContact CZ-CD2 3.68Å; F115-Y119 AromaticContact CZ-CE2 3.67Å; F115-Y119 HydrophobicContact CZ-CE2 3.67Å; F115-Y119 HydrophobicContact CZ-CG 4.48Å; F115-Y119 WeakPolarHBondContact O-CD2 3.33Å; F115-Y119 PolarHBondContact O-N 3.46Å; F115-Y119 VanDerWaalsContact O-N 3.09Å
116	L	94.4	Very high	87.2	Confident	25 Å²	25	51.4 Å²	51.4	13%	0.131	24%	0.244	C	C	.	.	H	α-helix	trans	-58.5	-40.9	175.4	-65.8	171.1	0	0	0	111.5	V112 Y113 Y119 L120 I177 F180	V112-L116 HydrophobicContact CG1-CD1 4.24Å; V112-L116 WeakPolarHBondContact O-CG 3.34Å; V112-L116 PolarHBondContact O-N 3.48Å; Y113-L116 PolarHBondContact O-N 3.16Å; L116-Y119 PolarHBondContact O-N 3.33Å; L116-L120 HydrophobicContact CB-CD1 4.43Å; L116-L120 HydrophobicContact CD2-CD1 3.77Å; L116-L120 WeakPolarHBondContact O-CA 3.26Å; L116-L120 VanDerWaalsContact O-CB 3.24Å; L116-L120 WeakPolarHBondContact O-CB 3.41Å; L116-L120 PolarHBondContact O-N 3.31Å; L116-I177 HydrophobicContact CD1-CG1 4.05Å; L116-F180 HydrophobicContact CB-CD1 3.89Å; L116-F180 HydrophobicContact CB-CD2 3.77Å; L116-F180 HydrophobicContact CB-CE1 3.92Å; L116-F180 HydrophobicContact CB-CE2 3.81Å; L116-F180 HydrophobicContact CB-CG 3.82Å; L116-F180 HydrophobicContact CB-CZ 3.88Å; L116-F180 HydrophobicContact CD1-CB 3.76Å; L116-F180 HydrophobicContact CD1-CD1 4.01Å; L116-F180 HydrophobicContact CD1-CD2 4.45Å; L116-F180 HydrophobicContact CD1-CG 3.82Å; L116-F180 HydrophobicContact CG-CD1 4.49Å; L116-F180 HydrophobicContact CG-CG 4.47Å
117	F	91.1	Very high	85.3	Confident	65 Å²	65	59.1 Å²	59.1	29%	0.285	29%	0.285	S	S	.	.	I	π-helix	trans	-60.8	-46.9	175	175.7	-100.4	0	0	0	112.6	Y113 F114 F115 Y119 R121 M122 F180	Y113-F117 WeakPolarHBondContact O-CB 3.42Å; Y113-F117 PolarHBondContact O-N 3.38Å; F114-F117 WeakPolarHBondContact O-CB 3.33Å; F114-F117 PolarHBondContact O-N 2.83Å; F115-F117 VanDerWaalsContact C-N 3.27Å; F115-F117 PolarHBondContact O-N 3.45Å; F117-Y119 PolarHBondContact O-N 3.49Å; F117-R121 HydrophobicContact CD2-CB 3.88Å; F117-R121 HydrophobicContact CD2-CG 3.96Å; F117-R121 HydrophobicContact CE2-CB 4.31Å; F117-R121 HydrophobicContact CE2-CG 4Å; F117-R121 WeakPolarHBondContact O-CB 3.4Å; F117-R121 PolarHBondContact O-N 3.47Å; F117-M122 HydrophobicContact CD1-CE 4.19Å; F117-M122 HydrophobicContact CE1-CE 3.52Å; F117-M122 HydrophobicContact CZ-CE 4.28Å; F117-M122 PolarHBondContact O-N 3.12Å; F117-F180 HydrophobicContact CB-CE2 4.09Å
118	L	88.9	Confident	83.6	Confident	3 Å²	3	61 Å²	61	2%	0.016	30%	0.3	C	S	.	.	I	π-helix	trans	-63.2	-37.2	-179.9	-71.7	177.4	0	0	0	113.2	F114 F115 M122 R136 L139 L143	F114-L118 HydrophobicContact CD1-CD1 3.71Å; F114-L118 HydrophobicContact CD1-CD2 4.35Å; F114-L118 HydrophobicContact CD1-CG 3.79Å; F114-L118 HydrophobicContact CE1-CD1 3.73Å; F114-L118 HydrophobicContact CE1-CD2 3.78Å; F114-L118 HydrophobicContact CE1-CG 3.73Å; F114-L118 HydrophobicContact CZ-CD2 4.4Å; F114-L118 WeakPolarHBondContact O-CG 3.14Å; F114-L118 PolarHBondContact O-N 3.04Å; F115-L118 PolarHBondContact O-N 2.92Å; L118-M122 HydrophobicContact CD2-CE 3.62Å; L118-M122 HydrophobicContact CD2-SD 4.16Å; L118-R136 PolarHBondContact O-NH1 2.93Å; L118-L139 HydrophobicContact CD1-CB 4.46Å; L118-L139 HydrophobicContact CD1-CD2 3.9Å; L118-L139 HydrophobicContact CD1-CG 4.13Å; L118-L139 HydrophobicContact CD2-CD2 4.08Å; L118-L143 HydrophobicContact CD1-CD1 4.49Å
119	Y	88.5	Confident	82.3	Confident	67 Å²	67	66.7 Å²	66.7	26%	0.263	32%	0.322	S	S	.	.	I	π-helix	trans	-97.8	-35.1	-173.4	-74.8	-81.3	0	0	0	114.2	F115 L116 F117 H137 S140	F115-Y119 HydrophobicContact CD1-CD2 4.18Å; F115-Y119 AromaticContact CD2-CD2 3.84Å; F115-Y119 HydrophobicContact CD2-CD2 3.84Å; F115-Y119 AromaticContact CD2-CE2 3.63Å; F115-Y119 HydrophobicContact CD2-CE2 3.63Å; F115-Y119 AromaticContact CE1-CD2 3.96Å; F115-Y119 HydrophobicContact CE1-CD2 3.96Å; F115-Y119 HydrophobicContact CE1-CE2 4.39Å; F115-Y119 AromaticContact CE2-CD2 3.63Å; F115-Y119 HydrophobicContact CE2-CD2 3.63Å; F115-Y119 AromaticContact CE2-CE2 3.23Å; F115-Y119 HydrophobicContact CE2-CE2 3.23Å; F115-Y119 HydrophobicContact CG-CD2 4.12Å; F115-Y119 HydrophobicContact CG-CE2 4.36Å; F115-Y119 AromaticContact CZ-CD2 3.68Å; F115-Y119 HydrophobicContact CZ-CD2 3.68Å; F115-Y119 AromaticContact CZ-CE2 3.67Å; F115-Y119 HydrophobicContact CZ-CE2 3.67Å; F115-Y119 HydrophobicContact CZ-CG 4.48Å; F115-Y119 WeakPolarHBondContact O-CD2 3.33Å; F115-Y119 PolarHBondContact O-N 3.46Å; F115-Y119 VanDerWaalsContact O-N 3.09Å; L116-Y119 PolarHBondContact O-N 3.33Å; F117-Y119 PolarHBondContact O-N 3.49Å; Y119-H137 AromaticContact CE1-CE1 3.96Å; Y119-H137 AromaticContact CZ-ND1 3.99Å; Y119-H137 WeakPolarHBondContact OH-CA 3.32Å; Y119-H137 PolarHBondContact OH-CE1 3.26Å; Y119-H137 PolarHBondContact OH-ND1 3Å; Y119-S140 WeakPolarHBondContact CE2-OG 3.21Å
120	L	88.4	Confident	81.2	Confident	109 Å²	109	71.5 Å²	71.5	57%	0.571	35%	0.354	S	S	*	.	I	π-helix	trans	-98.7	-32.3	-175.2	-54.8	-177.9	0	0	0	112.9	L116 F180 F181	L116-L120 HydrophobicContact CB-CD1 4.43Å; L116-L120 HydrophobicContact CD2-CD1 3.77Å; L116-L120 WeakPolarHBondContact O-CA 3.26Å; L116-L120 VanDerWaalsContact O-CB 3.24Å; L116-L120 WeakPolarHBondContact O-CB 3.41Å; L116-L120 PolarHBondContact O-N 3.31Å; L120-F180 HydrophobicContact CB-CE1 4.26Å; L120-F180 HydrophobicContact CB-CZ 4.26Å; L120-F180 HydrophobicContact CD1-CE1 4Å; L120-F181 HydrophobicContact CD1-CZ 4.36Å
121	R	83.2	Confident	80.4	Confident	79 Å²	79	74.7 Å²	74.7	30%	0.298	38%	0.376	S	S	.	.	I	π-helix	trans	-103.5	-40.4	-172.4	-171.6	57.7	167.5	129.2	5.5	113.9	H58 F117 H123 F180 Q184 S209	H58-R121 PolarHBondContact NE2-NH2 2.93Å; F117-R121 HydrophobicContact CD2-CB 3.88Å; F117-R121 HydrophobicContact CD2-CG 3.96Å; F117-R121 HydrophobicContact CE2-CB 4.31Å; F117-R121 HydrophobicContact CE2-CG 4Å; F117-R121 WeakPolarHBondContact O-CB 3.4Å; F117-R121 PolarHBondContact O-N 3.47Å; R121-H123 PolarHBondContact O-N 2.82Å; R121-F180 HydrophobicContact CB-CZ 4.25Å; R121-Q184 VanDerWaalsContact CD-OE1 3.29Å; R121-Q184 VanDerWaalsContact NE-OE1 3.08Å; R121-S209 PolarHBondContact NH1-O 2.97Å; R121-S209 PolarHBondContact NH2-O 3.36Å
122	M	77.9	Confident	79.4	Confident	70 Å²	70	76.6 Å²	76.6	35%	0.345	39%	0.386	S	S	.	.	S	Bend	trans	-70.3	103	-175.6	-169.9	178.5	-70.9	0	0	110.8	F117 L118 R136	F117-M122 HydrophobicContact CD1-CE 4.19Å; F117-M122 HydrophobicContact CE1-CE 3.52Å; F117-M122 HydrophobicContact CZ-CE 4.28Å; F117-M122 PolarHBondContact O-N 3.12Å; L118-M122 HydrophobicContact CD2-CE 3.62Å; L118-M122 HydrophobicContact CD2-SD 4.16Å; M122-R136 VanDerWaalsContact O-CZ 3.29Å; M122-R136 PolarHBondContact O-NH1 3.46Å; M122-R136 PolarHBondContact O-NH2 3.19Å
123	H	69.1	Low	78.7	Confident	134 Å²	134	78.3 Å²	78.3	62%	0.62	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-65.6	140.2	178.5	-166.3	-81.9	0	0	0	110.9	R121 P212	R121-H123 PolarHBondContact O-N 2.82Å; H123-P212 HydrophobicContact CB-CB 4Å
124	Q	61.3	Low	78.2	Confident	51 Å²	51	83.5 Å²	83.5	24%	0.238	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-78.2	139.5	-177.9	-163.9	150.4	24.5	0	0	110.9	R129 D132	Q124-R129 VanDerWaalsContact NE2-CG 3.32Å; Q124-R129 PolarHBondContact NE2-O 3.49Å; Q124-D132 HydrophobicContact CG-CB 4.49Å
125	T	57.5	Low	77.7	Confident	51 Å²	51	88.9 Å²	88.9	31%	0.313	44%	0.441	S	S	.	.	P	Polyproline II helix	trans	-87.9	129.8	171.1	65	0	0	0	0	108.9	N127 D132 N213	T125-N127 PolarHBondContact O-N 3.45Å; T125-D132 PolarHBondContact OG1-OD2 3.13Å; T125-N213 HydrophobicContact CG2-CB 4.32Å
126	N	56.4	Low	77.5	Confident	158 Å²	158	85.7 Å²	85.7	85%	0.845	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.7	-163.9	-147.4	13.6	0	0	0	114.4
127	N	58.3	Low	77.3	Confident	168 Å²	168	89.1 Å²	89.1	90%	0.898	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-12.3	-171.3	-80.5	-7.6	0	0	0	115.4	T125	T125-N127 PolarHBondContact O-N 3.45Å
128	A	62.5	Low	77.4	Confident	39 Å²	39	89.2 Å²	89.2	32%	0.322	45%	0.447	S	S	.	.			trans	-144.5	45	-174.5	0	0	0	0	0	113.8	C130 V131 D132	A128-C130 VanDerWaalsContact C-N 3.31Å; A128-C130 PolarHBondContact O-N 3.31Å; A128-C130 VanDerWaalsContact O-N 3.14Å; A128-V131 HydrophobicContact CB-CB 4.48Å; A128-V131 PolarHBondContact O-N 3.06Å; A128-V131 VanDerWaalsContact O-N 3.17Å; A128-D132 WeakPolarHBondContact O-CB 3.34Å; A128-D132 PolarHBondContact O-N 2.98Å
129	R	71.1	Confident	77.5	Confident	174 Å²	174	91.1 Å²	91.1	66%	0.657	46%	0.457	S	S	*	.	H	α-helix	trans	-49.6	-44	-172.8	-171.3	174.3	-175	171.5	-0.9	114.6	Q124 L133	Q124-R129 VanDerWaalsContact NE2-CG 3.32Å; Q124-R129 PolarHBondContact NE2-O 3.49Å; R129-L133 HydrophobicContact CG-CD1 4.14Å; R129-L133 WeakPolarHBondContact O-CB 3.24Å; R129-L133 WeakPolarHBondContact O-CD1 3.32Å; R129-L133 VanDerWaalsContact O-CG 3.27Å; R129-L133 WeakPolarHBondContact O-CG 3.48Å; R129-L133 PolarHBondContact O-N 2.93Å; R129-L133 VanDerWaalsContact O-N 3.16Å
130	C	76.1	Confident	77.8	Confident	100 Å²	100	88.2 Å²	88.2	68%	0.676	45%	0.446	S	S	*	.	H	α-helix	trans	-69.4	-46.6	-178.6	-176.3	0	0	0	0	112.5	A128 L133 L134	A128-C130 VanDerWaalsContact C-N 3.31Å; A128-C130 PolarHBondContact O-N 3.31Å; A128-C130 VanDerWaalsContact O-N 3.14Å; C130-L133 PolarHBondContact O-N 3.48Å; C130-L134 WeakPolarHBondContact O-CB 3.28Å; C130-L134 PolarHBondContact O-N 2.96Å
131	V	80.3	Confident	78.1	Confident	100 Å²	100	88.8 Å²	88.8	61%	0.606	45%	0.449	S	S	*	.	H	α-helix	trans	-66.5	-42.1	-179.4	179.6	0	0	0	0	110.8	A128 L133 L134 W135	A128-V131 HydrophobicContact CB-CB 4.48Å; A128-V131 PolarHBondContact O-N 3.06Å; A128-V131 VanDerWaalsContact O-N 3.17Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 2.9Å; V131-L134 PolarHBondContact O-N 3.37Å; V131-W135 WeakPolarHBondContact O-CB 3.31Å; V131-W135 PolarHBondContact O-N 2.98Å
132	D	77.6	Confident	78.7	Confident	43 Å²	43	88.6 Å²	88.6	23%	0.23	46%	0.456	C	S	.	.	H	α-helix	trans	-60.7	-41.8	175.9	-81.1	1	0	0	0	111.6	Q124 T125 A128 R136	Q124-D132 HydrophobicContact CG-CB 4.49Å; T125-D132 PolarHBondContact OG1-OD2 3.13Å; A128-D132 WeakPolarHBondContact O-CB 3.34Å; A128-D132 PolarHBondContact O-N 2.98Å; D132-R136 VanDerWaalsContact O-CG 3.28Å; D132-R136 WeakPolarHBondContact O-CG 3.39Å; D132-R136 PolarHBondContact O-N 2.94Å
133	L	83.1	Confident	79.5	Confident	62 Å²	62	85.8 Å²	85.8	33%	0.325	44%	0.442	S	S	.	.	H	α-helix	trans	-67.8	-47.5	177.2	-76.5	167.2	0	0	0	111.7	R129 C130 V131 W135 R136 H137	R129-L133 HydrophobicContact CG-CD1 4.14Å; R129-L133 WeakPolarHBondContact O-CB 3.24Å; R129-L133 WeakPolarHBondContact O-CD1 3.32Å; R129-L133 VanDerWaalsContact O-CG 3.27Å; R129-L133 WeakPolarHBondContact O-CG 3.48Å; R129-L133 PolarHBondContact O-N 2.93Å; R129-L133 VanDerWaalsContact O-N 3.16Å; C130-L133 PolarHBondContact O-N 3.48Å; V131-L133 VanDerWaalsContact C-N 3.34Å; V131-L133 PolarHBondContact O-N 2.9Å; L133-W135 VanDerWaalsContact C-N 3.3Å; L133-W135 PolarHBondContact O-N 3.43Å; L133-R136 PolarHBondContact O-N 3.4Å; L133-R136 VanDerWaalsContact O-N 3.17Å; L133-H137 PolarHBondContact O-CD2 2.8Å; L133-H137 PolarHBondContact O-N 2.95Å
134	L	87.4	Confident	80.8	Confident	115 Å²	115	82.8 Å²	82.8	60%	0.602	43%	0.431	S	S	*	.	H	α-helix	trans	-58.1	-45.1	179.1	-174.9	120.9	0	0	0	111.1	C130 V131 R136 H137 V138	C130-L134 WeakPolarHBondContact O-CB 3.28Å; C130-L134 PolarHBondContact O-N 2.96Å; V131-L134 PolarHBondContact O-N 3.37Å; L134-R136 PolarHBondContact O-N 2.99Å; L134-H137 PolarHBondContact O-N 3.45Å; L134-V138 HydrophobicContact CD2-CG2 4.45Å; L134-V138 HydrophobicContact CG-CG2 4.48Å; L134-V138 WeakPolarHBondContact O-CG2 3.37Å; L134-V138 PolarHBondContact O-N 3.39Å
135	W	85.6	Confident	82.5	Confident	169 Å²	169	82 Å²	82	64%	0.64	44%	0.436	S	S	*	.	H	α-helix	trans	-59.5	-43.7	176.2	177.7	-107.7	0	0	0	112.6	V131 L133 H137 V138 L139	V131-W135 WeakPolarHBondContact O-CB 3.31Å; V131-W135 PolarHBondContact O-N 2.98Å; L133-W135 VanDerWaalsContact C-N 3.3Å; L133-W135 PolarHBondContact O-N 3.43Å; W135-H137 PolarHBondContact O-N 3.5Å; W135-V138 PolarHBondContact O-N 2.99Å; W135-L139 VanDerWaalsContact O-CB 3.27Å; W135-L139 WeakPolarHBondContact O-CB 3.46Å; W135-L139 PolarHBondContact O-N 3.02Å
136	R	88.3	Confident	84.4	Confident	18 Å²	18	82.7 Å²	82.7	7%	0.068	44%	0.436	C	S	.	.	H	α-helix	trans	-60.5	-43.2	176.2	-71.4	172	-167.6	-150.2	5.3	112	L118 M122 D132 L133 L134 S140	L118-R136 PolarHBondContact O-NH1 2.93Å; M122-R136 VanDerWaalsContact O-CZ 3.29Å; M122-R136 PolarHBondContact O-NH1 3.46Å; M122-R136 PolarHBondContact O-NH2 3.19Å; D132-R136 VanDerWaalsContact O-CG 3.28Å; D132-R136 WeakPolarHBondContact O-CG 3.39Å; D132-R136 PolarHBondContact O-N 2.94Å; L133-R136 PolarHBondContact O-N 3.4Å; L133-R136 VanDerWaalsContact O-N 3.17Å; L134-R136 PolarHBondContact O-N 2.99Å; R136-S140 WeakPolarHBondContact O-CB 3.37Å; R136-S140 PolarHBondContact O-N 3.33Å; R136-S140 PolarHBondContact O-OG 3.24Å
137	H	90.4	Very high	86.3	Confident	97 Å²	97	75.1 Å²	75.1	45%	0.449	40%	0.396	S	S	.	.	H	α-helix	trans	-65.8	-46.8	177.8	-71.7	-64.8	0	0	0	111.9	Y119 L133 L134 W135 L139 S140 I141	Y119-H137 AromaticContact CE1-CE1 3.96Å; Y119-H137 AromaticContact CZ-ND1 3.99Å; Y119-H137 WeakPolarHBondContact OH-CA 3.32Å; Y119-H137 PolarHBondContact OH-CE1 3.26Å; Y119-H137 PolarHBondContact OH-ND1 3Å; L133-H137 PolarHBondContact O-CD2 2.8Å; L133-H137 PolarHBondContact O-N 2.95Å; L134-H137 PolarHBondContact O-N 3.45Å; W135-H137 PolarHBondContact O-N 3.5Å; H137-L139 PolarHBondContact O-N 3.42Å; H137-S140 PolarHBondContact O-N 2.8Å; H137-I141 VanDerWaalsContact O-CG1 3.32Å; H137-I141 WeakPolarHBondContact O-CG1 3.26Å; H137-I141 PolarHBondContact O-N 2.87Å
138	V	92.9	Very high	88.2	Confident	67 Å²	67	70 Å²	70	41%	0.406	37%	0.373	S	S	.	.	H	α-helix	trans	-58.6	-48.4	176.8	170.6	0	0	0	0	110.5	L134 W135 S140 I141 V142	L134-V138 HydrophobicContact CD2-CG2 4.45Å; L134-V138 HydrophobicContact CG-CG2 4.48Å; L134-V138 WeakPolarHBondContact O-CG2 3.37Å; L134-V138 PolarHBondContact O-N 3.39Å; W135-V138 PolarHBondContact O-N 2.99Å; V138-S140 VanDerWaalsContact C-N 3.31Å; V138-S140 PolarHBondContact O-N 3.17Å; V138-I141 PolarHBondContact O-N 3.16Å; V138-V142 WeakPolarHBondContact O-CG2 3.38Å; V138-V142 PolarHBondContact O-N 3.49Å
139	L	92.4	Very high	89.8	Confident	42 Å²	42	70.5 Å²	70.5	22%	0.22	38%	0.375	C	S	.	.	H	α-helix	trans	-60.3	-41.5	178.1	-174.4	56	0	0	0	111.8	F114 L118 W135 H137 V142 L143	F114-L139 HydrophobicContact CE1-CD2 3.82Å; F114-L139 HydrophobicContact CE1-CG 4.37Å; L118-L139 HydrophobicContact CD1-CB 4.46Å; L118-L139 HydrophobicContact CD1-CD2 3.9Å; L118-L139 HydrophobicContact CD1-CG 4.13Å; L118-L139 HydrophobicContact CD2-CD2 4.08Å; W135-L139 VanDerWaalsContact O-CB 3.27Å; W135-L139 WeakPolarHBondContact O-CB 3.46Å; W135-L139 PolarHBondContact O-N 3.02Å; H137-L139 PolarHBondContact O-N 3.42Å; L139-V142 PolarHBondContact O-N 3.18Å; L139-L143 HydrophobicContact CG-CD1 4.22Å; L139-L143 WeakPolarHBondContact O-CB 3.46Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.48Å; L139-L143 PolarHBondContact O-N 3.29Å
140	S	93.2	Very high	91.1	Very high	6 Å²	6	62.2 Å²	62.2	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-64.9	-42	178.1	-59.4	0	0	0	0	112.5	Y119 R136 H137 V138 V142 L143 L144	Y119-S140 WeakPolarHBondContact CE2-OG 3.21Å; R136-S140 WeakPolarHBondContact O-CB 3.37Å; R136-S140 PolarHBondContact O-N 3.33Å; R136-S140 PolarHBondContact O-OG 3.24Å; H137-S140 PolarHBondContact O-N 2.8Å; V138-S140 VanDerWaalsContact C-N 3.31Å; V138-S140 PolarHBondContact O-N 3.17Å; S140-V142 VanDerWaalsContact C-N 3.34Å; S140-L143 PolarHBondContact O-N 2.85Å; S140-L144 WeakPolarHBondContact O-CB 3.33Å; S140-L144 VanDerWaalsContact O-CG 3.3Å; S140-L144 WeakPolarHBondContact O-CG 3.35Å; S140-L144 PolarHBondContact O-N 3.38Å
141	I	95.1	Very high	92.1	Very high	121 Å²	121	57.9 Å²	57.9	62%	0.621	31%	0.314	S	S	*	.	H	α-helix	trans	-61.9	-44.4	175.4	-68.6	164.8	0	0	0	110.4	H137 V138 L143 L144 G145	H137-I141 VanDerWaalsContact O-CG1 3.32Å; H137-I141 WeakPolarHBondContact O-CG1 3.26Å; H137-I141 PolarHBondContact O-N 2.87Å; V138-I141 PolarHBondContact O-N 3.16Å; I141-L143 PolarHBondContact O-N 2.93Å; I141-L144 PolarHBondContact O-N 3.38Å; I141-G145 PolarHBondContact O-N 3.06Å
142	V	95.8	Very high	92.9	Very high	75 Å²	75	57.9 Å²	57.9	46%	0.455	30%	0.304	S	S	.	.	H	α-helix	trans	-61.3	-45.2	177.2	171.1	0	0	0	0	111.2	V138 L139 S140 G145 M146	V138-V142 WeakPolarHBondContact O-CG2 3.38Å; V138-V142 PolarHBondContact O-N 3.49Å; L139-V142 PolarHBondContact O-N 3.18Å; S140-V142 VanDerWaalsContact C-N 3.34Å; V142-G145 PolarHBondContact O-N 3.44Å; V142-M146 HydrophobicContact CG1-CE 4.26Å; V142-M146 WeakPolarHBondContact O-CG 3.44Å; V142-M146 PolarHBondContact O-N 2.92Å
143	L	95.6	Very high	93.7	Very high	11 Å²	11	55.9 Å²	55.9	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-62	-45.1	177.8	-71.6	170.6	0	0	0	112.2	F110 V111 F114 L118 L139 S140 I141 G145 M146 A147	F110-L143 HydrophobicContact CE1-CD2 4.14Å; V111-L143 HydrophobicContact CG1-CB 3.92Å; V111-L143 HydrophobicContact CG2-CB 4.03Å; V111-L143 HydrophobicContact CG2-CD2 4.45Å; V111-L143 WeakPolarHBondContact CG2-O 3.29Å; F114-L143 HydrophobicContact CB-CD1 4.33Å; F114-L143 HydrophobicContact CD1-CD1 3.34Å; F114-L143 HydrophobicContact CE1-CD1 3.96Å; F114-L143 HydrophobicContact CG-CD1 4.14Å; L118-L143 HydrophobicContact CD1-CD1 4.49Å; L139-L143 HydrophobicContact CG-CD1 4.22Å; L139-L143 WeakPolarHBondContact O-CB 3.46Å; L139-L143 VanDerWaalsContact O-CG 3.24Å; L139-L143 WeakPolarHBondContact O-CG 3.48Å; L139-L143 PolarHBondContact O-N 3.29Å; S140-L143 PolarHBondContact O-N 2.85Å; I141-L143 PolarHBondContact O-N 2.93Å; L143-G145 VanDerWaalsContact C-N 3.32Å; L143-G145 PolarHBondContact O-N 2.79Å; L143-M146 HydrophobicContact CD2-CE 3.41Å; L143-M146 VanDerWaalsContact CD2-CE 3.41Å; L143-M146 HydrophobicContact CG-CE 4.28Å; L143-M146 PolarHBondContact O-N 2.96Å; L143-A147 PolarHBondContact O-N 2.88Å
144	L	96.2	Very high	94.3	Very high	72 Å²	72	53.1 Å²	53.1	38%	0.377	28%	0.278	S	S	.	.	H	α-helix	trans	-63.1	-39.6	176	-71.2	171	0	0	0	111.9	W108 V111 S140 I141 A147 S148	W108-L144 HydrophobicContact CH2-CD2 4.4Å; W108-L144 HydrophobicContact CZ3-CD2 4.08Å; V111-L144 HydrophobicContact CG1-CD2 4Å; V111-L144 HydrophobicContact CG1-CG 4.46Å; S140-L144 WeakPolarHBondContact O-CB 3.33Å; S140-L144 VanDerWaalsContact O-CG 3.3Å; S140-L144 WeakPolarHBondContact O-CG 3.35Å; S140-L144 PolarHBondContact O-N 3.38Å; I141-L144 PolarHBondContact O-N 3.38Å; L144-A147 PolarHBondContact O-N 3.18Å; L144-S148 WeakPolarHBondContact O-CB 3.32Å; L144-S148 PolarHBondContact O-N 3.02Å; L144-S148 PolarHBondContact O-OG 2.83Å
145	G	97.2	Very high	94.6	Very high	34 Å²	34	48.6 Å²	48.6	35%	0.351	26%	0.255	S	S	.	.	H	α-helix	trans	-57.6	-49.2	171.7	0	0	0	0	0	111.6	I141 V142 L143 A147 S148 S149	I141-G145 PolarHBondContact O-N 3.06Å; V142-G145 PolarHBondContact O-N 3.44Å; L143-G145 VanDerWaalsContact C-N 3.32Å; L143-G145 PolarHBondContact O-N 2.79Å; G145-A147 PolarHBondContact O-N 3.06Å; G145-S148 PolarHBondContact O-N 3.44Å; G145-S149 PolarHBondContact O-N 3.24Å; G145-S149 PolarHBondContact O-OG 3.37Å
146	M	96	Very high	94.8	Very high	65 Å²	65	44.7 Å²	44.7	32%	0.32	24%	0.241	S	C	.	.	H	α-helix	trans	-60.7	-46.1	177.4	-71.7	-170.2	-62	0	0	113	L39 V142 L143 S148 S149 V150	L39-M146 HydrophobicContact CD2-CB 3.91Å; L39-M146 HydrophobicContact CD2-CG 4.17Å; L39-M146 HydrophobicContact CD2-SD 3.75Å; V142-M146 HydrophobicContact CG1-CE 4.26Å; V142-M146 WeakPolarHBondContact O-CG 3.44Å; V142-M146 PolarHBondContact O-N 2.92Å; L143-M146 HydrophobicContact CD2-CE 3.41Å; L143-M146 VanDerWaalsContact CD2-CE 3.41Å; L143-M146 HydrophobicContact CG-CE 4.28Å; L143-M146 PolarHBondContact O-N 2.96Å; M146-S148 VanDerWaalsContact C-N 3.28Å; M146-S148 PolarHBondContact O-N 2.96Å; M146-S149 PolarHBondContact O-N 2.86Å; M146-V150 WeakPolarHBondContact O-CG2 3.25Å; M146-V150 PolarHBondContact O-N 3.45Å
147	A	97.4	Very high	94.9	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60	-40.5	176.9	0	0	0	0	0	112.2	I107 W108 V111 L143 L144 G145 S151	I107-A147 HydrophobicContact CG1-CB 4.09Å; I107-A147 HydrophobicContact CG2-CB 4.09Å; W108-A147 HydrophobicContact CD2-CB 4.17Å; W108-A147 HydrophobicContact CZ2-CB 4.27Å; V111-A147 HydrophobicContact CB-CB 4.33Å; V111-A147 HydrophobicContact CG2-CB 3.93Å; L143-A147 PolarHBondContact O-N 2.88Å; L144-A147 PolarHBondContact O-N 3.18Å; G145-A147 PolarHBondContact O-N 3.06Å; A147-S151 VanDerWaalsContact O-CB 3.24Å; A147-S151 WeakPolarHBondContact O-CB 3.46Å; A147-S151 PolarHBondContact O-N 2.98Å; A147-S151 PolarHBondContact O-OG 2.98Å
148	S	97.8	Very high	94.9	Very high	60 Å²	60	40.8 Å²	40.8	42%	0.42	23%	0.225	S	C	.	.	H	α-helix	trans	-66.7	-45.1	176.9	-57.1	0	0	0	0	111.5	L144 G145 M146 S151 Y152	L144-S148 WeakPolarHBondContact O-CB 3.32Å; L144-S148 PolarHBondContact O-N 3.02Å; L144-S148 PolarHBondContact O-OG 2.83Å; G145-S148 PolarHBondContact O-N 3.44Å; M146-S148 VanDerWaalsContact C-N 3.28Å; M146-S148 PolarHBondContact O-N 2.96Å; S148-S151 PolarHBondContact O-N 3Å; S148-Y152 WeakPolarHBondContact O-CB 3.49Å; S148-Y152 PolarHBondContact O-N 3.22Å
149	S	97.3	Very high	94.7	Very high	50 Å²	50	38.4 Å²	38.4	35%	0.35	21%	0.209	S	C	.	.	H	α-helix	trans	-64.4	-42.4	177.8	-59.2	0	0	0	0	112.6	G145 M146 Y152 S153	G145-S149 PolarHBondContact O-N 3.24Å; G145-S149 PolarHBondContact O-OG 3.37Å; M146-S149 PolarHBondContact O-N 2.86Å; S149-Y152 PolarHBondContact O-N 2.96Å; S149-S153 WeakPolarHBondContact O-CB 3.41Å; S149-S153 PolarHBondContact O-N 3.23Å
150	V	97.6	Very high	94.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-62.1	-45.1	174.1	171.3	0	0	0	0	110.2	I36 L39 P40 H103 I107 M146 S153 R154	I36-V150 HydrophobicContact CG2-CG2 3.86Å; L39-V150 HydrophobicContact CB-CG2 4.15Å; L39-V150 HydrophobicContact CD2-CG2 4.15Å; P40-V150 HydrophobicContact CG-CG1 4.05Å; H103-V150 HydrophobicContact CB-CG1 4.18Å; I107-V150 HydrophobicContact CB-CB 4.5Å; I107-V150 HydrophobicContact CB-CG1 4.26Å; I107-V150 HydrophobicContact CG1-CB 4.33Å; I107-V150 HydrophobicContact CG1-CG2 4.25Å; I107-V150 HydrophobicContact CG2-CB 4.15Å; I107-V150 HydrophobicContact CG2-CG1 4Å; M146-V150 WeakPolarHBondContact O-CG2 3.25Å; M146-V150 PolarHBondContact O-N 3.45Å; V150-S153 WeakPolarHBondContact O-CB 3.5Å; V150-S153 PolarHBondContact O-N 2.9Å; V150-S153 PolarHBondContact O-OG 3.28Å; V150-R154 PolarHBondContact O-N 2.84Å
151	S	97.4	Very high	94.7	Very high	8 Å²	8	37.7 Å²	37.7	6%	0.056	21%	0.206	C	C	.	.	H	α-helix	trans	-61.3	-47.8	177.9	-66.6	0	0	0	0	111.9	S104 W108 A147 S148 S153 R154 V165	S104-S151 PolarHBondContact OG-OG 3.2Å; S104-S151 VanDerWaalsContact OG-OG 3.04Å; W108-S151 PolarHBondContact NE1-OG 3.29Å; W108-S151 VanDerWaalsContact NE1-OG 3.09Å; A147-S151 VanDerWaalsContact O-CB 3.24Å; A147-S151 WeakPolarHBondContact O-CB 3.46Å; A147-S151 PolarHBondContact O-N 2.98Å; A147-S151 PolarHBondContact O-OG 2.98Å; S148-S151 PolarHBondContact O-N 3Å; S151-S153 VanDerWaalsContact C-N 3.33Å; S151-S153 PolarHBondContact O-N 2.7Å; S151-R154 PolarHBondContact O-N 2.9Å; S151-R154 VanDerWaalsContact O-N 3.16Å; S151-V165 VanDerWaalsContact CB-CG1 3.47Å
152	Y	96.8	Very high	94.7	Very high	101 Å²	101	39.9 Å²	39.9	40%	0.396	21%	0.206	S	C	.	.	H	α-helix	trans	-60.9	-40.4	176.5	179.1	-110.8	0	0	0	112.3	L33 S148 S149 R154 V155 Y156 W162	L33-Y152 HydrophobicContact CD1-CD1 4.09Å; L33-Y152 HydrophobicContact CD1-CE1 3.89Å; L33-Y152 HydrophobicContact CD2-CD1 4.01Å; L33-Y152 HydrophobicContact CD2-CE1 4.49Å; S148-Y152 WeakPolarHBondContact O-CB 3.49Å; S148-Y152 PolarHBondContact O-N 3.22Å; S149-Y152 PolarHBondContact O-N 2.96Å; Y152-R154 PolarHBondContact O-N 3.5Å; Y152-R154 VanDerWaalsContact O-N 3.08Å; Y152-V155 PolarHBondContact O-N 3.5Å; Y152-Y156 HydrophobicContact CE1-CD2 4Å; Y152-Y156 HydrophobicContact CE1-CG 4.28Å; Y152-Y156 AromaticContact CZ-CD2 3.76Å; Y152-Y156 WeakPolarHBondContact O-CB 3.5Å; Y152-Y156 PolarHBondContact O-N 3.29Å; Y152-Y156 VanDerWaalsContact OH-CD2 3.31Å; Y152-Y156 WeakPolarHBondContact OH-CD2 3.43Å; Y152-W162 AromaticContact CD2-CH2 3.78Å; Y152-W162 HydrophobicContact CD2-CH2 3.78Å; Y152-W162 HydrophobicContact CD2-CZ2 4.31Å; Y152-W162 HydrophobicContact CE2-CH2 4.27Å; Y152-W162 HydrophobicContact CE2-CZ2 4.4Å
153	S	95.2	Very high	94.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-55.9	-30	177.6	81.4	0	0	0	0	112.9	L33 S37 S149 V150 S151 L157	L33-S153 WeakPolarHBondContact O-CB 3.5Å; S37-S153 WeakPolarHBondContact CB-OG 3.36Å; S149-S153 WeakPolarHBondContact O-CB 3.41Å; S149-S153 PolarHBondContact O-N 3.23Å; V150-S153 WeakPolarHBondContact O-CB 3.5Å; V150-S153 PolarHBondContact O-N 2.9Å; V150-S153 PolarHBondContact O-OG 3.28Å; S151-S153 VanDerWaalsContact C-N 3.33Å; S151-S153 PolarHBondContact O-N 2.7Å; S153-L157 VanDerWaalsContact O-CB 3.22Å; S153-L157 WeakPolarHBondContact O-CB 3.39Å; S153-L157 WeakPolarHBondContact O-CG 3.26Å; S153-L157 PolarHBondContact O-N 2.65Å; S153-L157 VanDerWaalsContact O-N 3.13Å
154	R	94.3	Very high	94.8	Very high	4 Å²	4	38.2 Å²	38.2	2%	0.015	20%	0.198	C	C	.	.	H	α-helix	trans	-77.8	-31.4	-178.5	-61.6	-55.5	75.9	-163.2	-13.4	112.5	S37 H103 V150 S151 Y152 Y159 H160 V165	S37-R154 VanDerWaalsContact CB-CZ 3.4Å; S37-R154 VanDerWaalsContact CB-NH2 3.3Å; S37-R154 PolarHBondContact OG-NH2 3.15Å; H103-R154 HydrophobicContact CB-CG 3.95Å; V150-R154 PolarHBondContact O-N 2.84Å; S151-R154 PolarHBondContact O-N 2.9Å; S151-R154 VanDerWaalsContact O-N 3.16Å; Y152-R154 PolarHBondContact O-N 3.5Å; Y152-R154 VanDerWaalsContact O-N 3.08Å; R154-Y159 PolarHBondContact O-N 3.31Å; R154-H160 HydrophobicContact CB-CB 4.16Å; R154-H160 PolarHBondContact O-N 2.93Å; R154-V165 HydrophobicContact CB-CG2 4.08Å
155	V	93.6	Very high	94.8	Very high	20 Å²	20	35.1 Å²	35.1	12%	0.121	18%	0.182	C	C	.	.	H	α-helix	trans	-79.1	-47.1	174.8	-175.5	0	0	0	0	110.4	Y152 L157 L158 H160 W162 V165	Y152-V155 PolarHBondContact O-N 3.5Å; V155-L157 VanDerWaalsContact C-N 3.33Å; V155-L157 PolarHBondContact O-N 3.31Å; V155-L158 PolarHBondContact O-N 3.3Å; V155-H160 WeakPolarHBondContact CA-O 3.45Å; V155-W162 HydrophobicContact CB-CD2 4.39Å; V155-W162 HydrophobicContact CB-CZ2 4.45Å; V155-W162 HydrophobicContact CG1-CD2 3.95Å; V155-W162 HydrophobicContact CG1-CG 4.14Å; V155-W162 HydrophobicContact CG1-CZ2 4.08Å; V155-W162 HydrophobicContact CG2-CD2 3.92Å; V155-W162 HydrophobicContact CG2-CE3 3.91Å; V155-W162 HydrophobicContact CG2-CG 4.34Å; V155-W162 HydrophobicContact CG2-CZ3 4.32Å; V155-V165 HydrophobicContact CG2-CB 4.26Å; V155-V165 HydrophobicContact CG2-CG2 3.62Å
156	Y	91.2	Very high	94.9	Very high	88 Å²	88	39.6 Å²	39.6	35%	0.345	19%	0.193	S	C	.	.	H	α-helix	trans	-60	-42.7	-179.1	-172.6	-88.9	0	0	0	112.4	D27 T29 L33 Y152 L158	D27-Y156 WeakPolarHBondContact OD2-CE1 3.37Å; D27-Y156 PolarHBondContact OD2-OH 2.81Å; T29-Y156 HydrophobicContact CG2-CE1 4.26Å; L33-Y156 HydrophobicContact CD1-CD1 3.4Å; L33-Y156 VanDerWaalsContact CD1-CD1 3.4Å; L33-Y156 HydrophobicContact CD1-CD2 4.21Å; L33-Y156 HydrophobicContact CD1-CE1 3.97Å; L33-Y156 HydrophobicContact CD1-CG 3.53Å; Y152-Y156 HydrophobicContact CE1-CD2 4Å; Y152-Y156 HydrophobicContact CE1-CG 4.28Å; Y152-Y156 AromaticContact CZ-CD2 3.76Å; Y152-Y156 WeakPolarHBondContact O-CB 3.5Å; Y152-Y156 PolarHBondContact O-N 3.29Å; Y152-Y156 VanDerWaalsContact OH-CD2 3.31Å; Y152-Y156 WeakPolarHBondContact OH-CD2 3.43Å; Y156-L158 PolarHBondContact O-N 3.19Å
157	L	89.6	Confident	94.9	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	12.8	178.4	-65	169.4	0	0	0	113.2	F23 L33 A34 H90 S153 V155 Y159	F23-L157 HydrophobicContact CB-CD2 3.83Å; L33-L157 HydrophobicContact CB-CD1 4.16Å; A34-L157 HydrophobicContact CB-CD1 4.03Å; H90-L157 PolarHBondContact NE2-O 3.2Å; H90-L157 VanDerWaalsContact NE2-O 3.09Å; S153-L157 VanDerWaalsContact O-CB 3.22Å; S153-L157 WeakPolarHBondContact O-CB 3.39Å; S153-L157 WeakPolarHBondContact O-CG 3.26Å; S153-L157 PolarHBondContact O-N 2.65Å; S153-L157 VanDerWaalsContact O-N 3.13Å; V155-L157 VanDerWaalsContact C-N 3.33Å; V155-L157 PolarHBondContact O-N 3.31Å; L157-Y159 HydrophobicContact CB-CD2 3.65Å; L157-Y159 HydrophobicContact CB-CE2 3.8Å; L157-Y159 VanDerWaalsContact O-CD2 3.23Å; L157-Y159 WeakPolarHBondContact O-CD2 3.43Å; L157-Y159 PolarHBondContact O-N 3.39Å; L157-Y159 VanDerWaalsContact O-N 3.13Å
158	L	89.5	Confident	95	Very high	31 Å²	31	42.2 Å²	42.2	16%	0.162	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	20.6	174.1	-52.5	176.2	0	0	0	115.6	Q6 W13 V155 Y156	Q6-L158 HydrophobicContact CG-CD1 4.49Å; Q6-L158 HydrophobicContact CG-CD2 4.37Å; W13-L158 HydrophobicContact CH2-CD1 4.34Å; W13-L158 HydrophobicContact CZ2-CD1 4.42Å; V155-L158 PolarHBondContact O-N 3.3Å; Y156-L158 PolarHBondContact O-N 3.19Å
159	Y	88.8	Confident	95	Very high	17 Å²	17	40 Å²	40	7%	0.067	19%	0.185	C	C	.	.	S	Bend	trans	-75.6	-30.6	174.5	-77.8	-97.9	0	0	0	112.7	E22 R84 H90 V93 R154 L157	E22-Y159 PolarHBondContact N-OH 3.48Å; E22-Y159 PolarHBondContact O-OH 2.84Å; R84-Y159 PolarHBondContact NH1-O 3.39Å; H90-Y159 AromaticContact CE1-CE2 3.58Å; H90-Y159 AromaticContact CE1-CZ 3.75Å; H90-Y159 AromaticContact ND1-CZ 3.8Å; H90-Y159 AromaticContact NE2-CD2 3.91Å; H90-Y159 AromaticContact NE2-CE2 3.81Å; V93-Y159 HydrophobicContact CG2-CD1 3.99Å; V93-Y159 HydrophobicContact CG2-CE1 3.59Å; R154-Y159 PolarHBondContact O-N 3.31Å; L157-Y159 HydrophobicContact CB-CD2 3.65Å; L157-Y159 HydrophobicContact CB-CE2 3.8Å; L157-Y159 VanDerWaalsContact O-CD2 3.23Å; L157-Y159 WeakPolarHBondContact O-CD2 3.43Å; L157-Y159 PolarHBondContact O-N 3.39Å; L157-Y159 VanDerWaalsContact O-N 3.13Å
160	H	92.8	Very high	95.1	Very high	6 Å²	6	40.6 Å²	40.6	3%	0.028	19%	0.186	C	C	.	.	S	Bend	trans	-148.8	152.9	-172.5	-72	-72.6	0	0	0	112.5	R84 G98 S101 R154 V155 Q164 V165	R84-H160 PolarHBondContact NH1-CE1 3.42Å; R84-H160 PolarHBondContact NH1-NE2 3.13Å; G98-H160 PolarHBondContact O-CE1 3.4Å; G98-H160 PolarHBondContact O-ND1 3.02Å; S101-H160 PolarHBondContact OG-CD2 3.02Å; R154-H160 HydrophobicContact CB-CB 4.16Å; R154-H160 PolarHBondContact O-N 2.93Å; V155-H160 WeakPolarHBondContact CA-O 3.45Å; H160-Q164 HydrophobicContact CB-CB 4.14Å; H160-Q164 PolarHBondContact ND1-OE1 2.94Å; H160-Q164 VanDerWaalsContact ND1-OE1 3.11Å; H160-V165 HydrophobicContact CB-CG2 3.87Å
161	T	94.1	Very high	95.1	Very high	28 Å²	28	41.9 Å²	41.9	17%	0.172	20%	0.195	C	C	.	.			trans	-79.4	162.9	170	66.4	0	0	0	0	111.6	P85 S163 Q164 V165	P85-T161 HydrophobicContact CB-CG2 3.87Å; P85-T161 HydrophobicContact CG-CG2 4.06Å; T161-S163 PolarHBondContact O-N 3.34Å; T161-Q164 PolarHBondContact O-N 3.27Å; T161-Q164 VanDerWaalsContact O-N 3.16Å; T161-Q164 VanDerWaalsContact OG1-CG 3.26Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.06Å; T161-Q164 PolarHBondContact OG1-N 2.84Å; T161-V165 WeakPolarHBondContact O-CG2 3.42Å; T161-V165 PolarHBondContact O-N 2.84Å
162	W	95.3	Very high	95.2	Very high	167 Å²	167	41.5 Å²	41.5	63%	0.633	19%	0.192	S	C	*	.	H	α-helix	trans	-55.1	-39.5	171.6	-75.1	111.8	0	0	0	112.9	Y152 V155 V165 F166	Y152-W162 AromaticContact CD2-CH2 3.78Å; Y152-W162 HydrophobicContact CD2-CH2 3.78Å; Y152-W162 HydrophobicContact CD2-CZ2 4.31Å; Y152-W162 HydrophobicContact CE2-CH2 4.27Å; Y152-W162 HydrophobicContact CE2-CZ2 4.4Å; V155-W162 HydrophobicContact CB-CD2 4.39Å; V155-W162 HydrophobicContact CB-CZ2 4.45Å; V155-W162 HydrophobicContact CG1-CD2 3.95Å; V155-W162 HydrophobicContact CG1-CG 4.14Å; V155-W162 HydrophobicContact CG1-CZ2 4.08Å; V155-W162 HydrophobicContact CG2-CD2 3.92Å; V155-W162 HydrophobicContact CG2-CE3 3.91Å; V155-W162 HydrophobicContact CG2-CG 4.34Å; V155-W162 HydrophobicContact CG2-CZ3 4.32Å; W162-V165 PolarHBondContact O-N 2.92Å; W162-F166 WeakPolarHBondContact O-CB 3.38Å; W162-F166 PolarHBondContact O-N 3.46Å
163	S	95.9	Very high	95.3	Very high	50 Å²	50	37.9 Å²	37.9	35%	0.35	18%	0.181	S	C	.	.	H	α-helix	trans	-59.1	-53	174.6	-177.1	0	0	0	0	110.5	T161 V165 F166 Y167	T161-S163 PolarHBondContact O-N 3.34Å; S163-V165 VanDerWaalsContact C-N 3.27Å; S163-V165 PolarHBondContact O-N 3.49Å; S163-F166 WeakPolarHBondContact O-CB 3.38Å; S163-F166 PolarHBondContact O-N 3.06Å; S163-Y167 VanDerWaalsContact O-CD2 3.27Å; S163-Y167 WeakPolarHBondContact O-CD2 3.47Å; S163-Y167 PolarHBondContact O-N 3.16Å; S163-Y167 WeakPolarHBondContact OG-CD2 3.48Å; S163-Y167 WeakPolarHBondContact OG-CE2 3.38Å
164	Q	96.3	Very high	95.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.3	-38.7	-179.2	-70.6	170.9	3.3	0	0	113.3	E82 P83 G98 M99 S101 H160 T161 G168	E82-Q164 WeakPolarHBondContact OE1-CG 3.47Å; E82-Q164 PolarHBondContact OE1-NE2 3Å; P83-Q164 PolarHBondContact O-NE2 3.08Å; G98-Q164 PolarHBondContact O-OE1 3.36Å; M99-Q164 HydrophobicContact CB-CG 4.01Å; M99-Q164 HydrophobicContact SD-CB 4.26Å; M99-Q164 HydrophobicContact SD-CG 3.93Å; S101-Q164 WeakPolarHBondContact CB-O 3.47Å; S101-Q164 PolarHBondContact N-O 2.94Å; H160-Q164 HydrophobicContact CB-CB 4.14Å; H160-Q164 PolarHBondContact ND1-OE1 2.94Å; H160-Q164 VanDerWaalsContact ND1-OE1 3.11Å; T161-Q164 PolarHBondContact O-N 3.27Å; T161-Q164 VanDerWaalsContact O-N 3.16Å; T161-Q164 VanDerWaalsContact OG1-CG 3.26Å; T161-Q164 WeakPolarHBondContact OG1-CG 3.06Å; T161-Q164 PolarHBondContact OG1-N 2.84Å; Q164-G168 PolarHBondContact O-N 2.87Å; Q164-G168 VanDerWaalsContact O-N 3.14Å
165	V	97.5	Very high	95.6	Very high	7 Å²	7	43 Å²	43	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-67.6	-46.8	174.3	173.9	0	0	0	0	111.2	S104 S151 R154 V155 H160 T161 W162 S163 G168 A169	S104-V165 PolarHBondContact OG-O 3Å; S151-V165 VanDerWaalsContact CB-CG1 3.47Å; R154-V165 HydrophobicContact CB-CG2 4.08Å; V155-V165 HydrophobicContact CG2-CB 4.26Å; V155-V165 HydrophobicContact CG2-CG2 3.62Å; H160-V165 HydrophobicContact CB-CG2 3.87Å; T161-V165 WeakPolarHBondContact O-CG2 3.42Å; T161-V165 PolarHBondContact O-N 2.84Å; W162-V165 PolarHBondContact O-N 2.92Å; S163-V165 VanDerWaalsContact C-N 3.27Å; S163-V165 PolarHBondContact O-N 3.49Å; V165-G168 PolarHBondContact O-N 2.93Å; V165-A169 PolarHBondContact O-N 2.94Å
166	F	97.9	Very high	95.8	Very high	129 Å²	129	42 Å²	42	57%	0.566	21%	0.205	S	C	*	.	H	α-helix	trans	-60.1	-48.2	179.5	178	-100	0	0	0	112.6	W162 S163 G168 A169 V170	W162-F166 WeakPolarHBondContact O-CB 3.38Å; W162-F166 PolarHBondContact O-N 3.46Å; S163-F166 WeakPolarHBondContact O-CB 3.38Å; S163-F166 PolarHBondContact O-N 3.06Å; F166-G168 VanDerWaalsContact C-N 3.29Å; F166-G168 PolarHBondContact O-N 3.04Å; F166-A169 WeakPolarHBondContact O-CB 3.48Å; F166-A169 PolarHBondContact O-N 3.39Å; F166-A169 VanDerWaalsContact O-N 3.13Å; F166-V170 HydrophobicContact CD1-CG2 4.28Å; F166-V170 HydrophobicContact CE1-CG2 3.84Å; F166-V170 HydrophobicContact CE2-CG2 4.17Å; F166-V170 HydrophobicContact CZ-CG2 3.77Å; F166-V170 WeakPolarHBondContact O-CG2 3.33Å; F166-V170 PolarHBondContact O-N 3.48Å
167	Y	97.9	Very high	96.2	Very high	119 Å²	119	41.4 Å²	41.4	47%	0.467	21%	0.206	S	C	.	.	H	α-helix	trans	-66.8	-31.1	177.4	-77.8	-83.5	0	0	0	112.6	M99 S163 T171	M99-Y167 HydrophobicContact CE-CD1 4.04Å; M99-Y167 HydrophobicContact CE-CD2 3.03Å; M99-Y167 HydrophobicContact CE-CE1 4.46Å; M99-Y167 HydrophobicContact CE-CE2 3.55Å; M99-Y167 HydrophobicContact CE-CG 3.29Å; M99-Y167 HydrophobicContact SD-CD2 4.03Å; M99-Y167 HydrophobicContact SD-CG 4.1Å; S163-Y167 VanDerWaalsContact O-CD2 3.27Å; S163-Y167 WeakPolarHBondContact O-CD2 3.47Å; S163-Y167 PolarHBondContact O-N 3.16Å; S163-Y167 WeakPolarHBondContact OG-CD2 3.48Å; S163-Y167 WeakPolarHBondContact OG-CE2 3.38Å; Y167-T171 VanDerWaalsContact O-CB 3.27Å; Y167-T171 WeakPolarHBondContact O-CB 3.14Å; Y167-T171 PolarHBondContact O-N 3.31Å; Y167-T171 PolarHBondContact O-OG1 3.25Å
168	G	98	Very high	96.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-59	-51.8	167.5	0	0	0	0	0	111.6	Q105 Q164 V165 F166 V170 T171 G172	Q105-G168 VanDerWaalsContact CA-O 3.24Å; Q105-G168 WeakPolarHBondContact CA-O 3.45Å; Q105-G168 WeakPolarHBondContact CB-O 3.33Å; Q164-G168 PolarHBondContact O-N 2.87Å; Q164-G168 VanDerWaalsContact O-N 3.14Å; V165-G168 PolarHBondContact O-N 2.93Å; F166-G168 VanDerWaalsContact C-N 3.29Å; F166-G168 PolarHBondContact O-N 3.04Å; G168-V170 PolarHBondContact O-N 2.9Å; G168-T171 PolarHBondContact O-N 2.96Å; G168-G172 PolarHBondContact O-N 3.29Å
169	A	98.5	Very high	97.1	Very high	13 Å²	13	46.3 Å²	46.3	11%	0.107	23%	0.229	C	C	.	.	H	α-helix	trans	-57.5	-46.9	178.3	0	0	0	0	0	112.9	W108 V165 F166 S173	W108-A169 HydrophobicContact CB-CB 4.36Å; W108-A169 HydrophobicContact CD2-CB 3.92Å; W108-A169 HydrophobicContact CG-CB 3.61Å; V165-A169 PolarHBondContact O-N 2.94Å; F166-A169 WeakPolarHBondContact O-CB 3.48Å; F166-A169 PolarHBondContact O-N 3.39Å; F166-A169 VanDerWaalsContact O-N 3.13Å; A169-S173 VanDerWaalsContact O-CB 3.26Å; A169-S173 WeakPolarHBondContact O-CB 3.46Å; A169-S173 PolarHBondContact O-N 3.03Å; A169-S173 PolarHBondContact O-OG 3.23Å
170	V	98.4	Very high	97.5	Very high	63 Å²	63	45.7 Å²	45.7	38%	0.382	23%	0.227	S	C	.	.	H	α-helix	trans	-63.1	-47.8	178.6	171.7	0	0	0	0	111.1	F166 G168 S173 T174	F166-V170 HydrophobicContact CD1-CG2 4.28Å; F166-V170 HydrophobicContact CE1-CG2 3.84Å; F166-V170 HydrophobicContact CE2-CG2 4.17Å; F166-V170 HydrophobicContact CZ-CG2 3.77Å; F166-V170 WeakPolarHBondContact O-CG2 3.33Å; F166-V170 PolarHBondContact O-N 3.48Å; G168-V170 PolarHBondContact O-N 2.9Å; V170-S173 PolarHBondContact O-N 3.3Å; V170-T174 WeakPolarHBondContact O-CB 3.29Å; V170-T174 PolarHBondContact O-N 3.37Å; V170-T174 PolarHBondContact O-OG1 3.03Å
171	T	98.3	Very high	97.7	Very high	28 Å²	28	50 Å²	50	17%	0.172	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-47.6	179.8	-55.8	0	0	0	0	110.6	V72 L76 Q105 Y167 G168 S173 T174 M175	V72-T171 HydrophobicContact CG1-CG2 4.23Å; L76-T171 HydrophobicContact CD1-CG2 3.75Å; Q105-T171 HydrophobicContact CG-CG2 4.28Å; Y167-T171 VanDerWaalsContact O-CB 3.27Å; Y167-T171 WeakPolarHBondContact O-CB 3.14Å; Y167-T171 PolarHBondContact O-N 3.31Å; Y167-T171 PolarHBondContact O-OG1 3.25Å; G168-T171 PolarHBondContact O-N 2.96Å; T171-S173 PolarHBondContact O-N 3.47Å; T171-T174 PolarHBondContact O-N 3.49Å; T171-M175 HydrophobicContact CG2-CG 4.45Å; T171-M175 WeakPolarHBondContact O-CB 3.37Å; T171-M175 WeakPolarHBondContact O-CG 3.44Å; T171-M175 PolarHBondContact O-N 2.73Å
172	G	98.5	Very high	97.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-44.4	-179.4	0	0	0	0	0	112.3	Q105 F109 G168 T174 M175 A176	Q105-G172 WeakPolarHBondContact O-CA 3.43Å; F109-G172 WeakPolarHBondContact CA-O 3.48Å; G168-G172 PolarHBondContact O-N 3.29Å; G172-T174 PolarHBondContact O-N 2.79Å; G172-M175 PolarHBondContact O-N 3.37Å; G172-A176 WeakPolarHBondContact O-CB 3.48Å; G172-A176 PolarHBondContact O-N 3.24Å
173	S	98.7	Very high	98	Very high	24 Å²	24	44.7 Å²	44.7	17%	0.168	23%	0.225	C	C	.	.	H	α-helix	trans	-61.9	-44	176.4	-57.9	0	0	0	0	111.8	A169 V170 T171 A176 I177	A169-S173 VanDerWaalsContact O-CB 3.26Å; A169-S173 WeakPolarHBondContact O-CB 3.46Å; A169-S173 PolarHBondContact O-N 3.03Å; A169-S173 PolarHBondContact O-OG 3.23Å; V170-S173 PolarHBondContact O-N 3.3Å; T171-S173 PolarHBondContact O-N 3.47Å; S173-A176 PolarHBondContact O-N 2.88Å; S173-I177 WeakPolarHBondContact O-CG1 3.41Å; S173-I177 PolarHBondContact O-N 2.7Å
174	T	98.6	Very high	97.9	Very high	70 Å²	70	43.6 Å²	43.6	43%	0.429	21%	0.214	S	C	.	.	H	α-helix	trans	-63.6	-47.5	178.6	-56.5	0	0	0	0	111	V170 T171 G172 A176 I177 I178	V170-T174 WeakPolarHBondContact O-CB 3.29Å; V170-T174 PolarHBondContact O-N 3.37Å; V170-T174 PolarHBondContact O-OG1 3.03Å; T171-T174 PolarHBondContact O-N 3.49Å; G172-T174 PolarHBondContact O-N 2.79Å; T174-A176 VanDerWaalsContact C-N 3.29Å; T174-A176 PolarHBondContact O-N 3.41Å; T174-I177 PolarHBondContact O-N 3.3Å; T174-I178 HydrophobicContact CG2-CD1 3.91Å; T174-I178 WeakPolarHBondContact O-CG1 3.28Å; T174-I178 PolarHBondContact O-N 2.92Å
175	M	98.5	Very high	97.9	Very high	41 Å²	41	50.1 Å²	50.1	20%	0.202	25%	0.245	C	C	.	.	H	α-helix	trans	-60.6	-38.6	176.3	-73.3	-58.6	-61.4	0	0	112	N69 V72 F109 T171 G172 W179	N69-M175 WeakPolarHBondContact OD1-CB 3.3Å; V72-M175 HydrophobicContact CG2-CE 3.92Å; V72-M175 HydrophobicContact CG2-SD 4.26Å; F109-M175 HydrophobicContact CD2-CB 3.81Å; F109-M175 HydrophobicContact CE2-CB 4.05Å; T171-M175 HydrophobicContact CG2-CG 4.45Å; T171-M175 WeakPolarHBondContact O-CB 3.37Å; T171-M175 WeakPolarHBondContact O-CG 3.44Å; T171-M175 PolarHBondContact O-N 2.73Å; G172-M175 PolarHBondContact O-N 3.37Å; M175-W179 WeakPolarHBondContact O-CB 3.48Å; M175-W179 PolarHBondContact O-N 2.99Å
176	A	98.6	Very high	97.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.5	-44.1	176.9	0	0	0	0	0	112.5	F109 V112 G172 S173 T174 W179 F180	F109-A176 HydrophobicContact CB-CB 4.42Å; F109-A176 HydrophobicContact CD2-CB 3.71Å; F109-A176 VanDerWaalsContact CD2-N 3.32Å; F109-A176 VanDerWaalsContact CE2-CA 3.47Å; F109-A176 HydrophobicContact CE2-CB 4.06Å; F109-A176 HydrophobicContact CG-CB 4.02Å; F109-A176 VanDerWaalsContact O-CB 3.28Å; F109-A176 WeakPolarHBondContact O-CB 3.39Å; V112-A176 HydrophobicContact CB-CB 3.99Å; V112-A176 HydrophobicContact CG1-CB 3.98Å; G172-A176 WeakPolarHBondContact O-CB 3.48Å; G172-A176 PolarHBondContact O-N 3.24Å; S173-A176 PolarHBondContact O-N 2.88Å; T174-A176 VanDerWaalsContact C-N 3.29Å; T174-A176 PolarHBondContact O-N 3.41Å; A176-W179 PolarHBondContact O-N 3.47Å; A176-F180 WeakPolarHBondContact O-CB 3.47Å; A176-F180 PolarHBondContact O-N 3.2Å
177	I	98.6	Very high	97.8	Very high	75 Å²	75	48.4 Å²	48.4	39%	0.385	24%	0.243	S	C	.	.	H	α-helix	trans	-60.7	-51.6	176.9	-67.9	163	0	0	0	109.9	V112 L116 S173 T174 W179 F180 F181	V112-I177 HydrophobicContact CG1-CD1 4.49Å; V112-I177 HydrophobicContact CG1-CG1 3.94Å; L116-I177 HydrophobicContact CD1-CG1 4.05Å; S173-I177 WeakPolarHBondContact O-CG1 3.41Å; S173-I177 PolarHBondContact O-N 2.7Å; T174-I177 PolarHBondContact O-N 3.3Å; I177-W179 PolarHBondContact O-N 2.56Å; I177-F180 PolarHBondContact O-N 3.17Å; I177-F181 HydrophobicContact CG2-CD2 3.91Å; I177-F181 HydrophobicContact CG2-CE2 3.89Å; I177-F181 VanDerWaalsContact O-CD2 3.26Å; I177-F181 WeakPolarHBondContact O-CD2 3.49Å; I177-F181 PolarHBondContact O-N 3.44Å; I177-F181 VanDerWaalsContact O-N 3.12Å
178	I	98.5	Very high	97.7	Very high	101 Å²	101	43.7 Å²	43.7	52%	0.518	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-50.2	179.6	-66.8	168.4	0	0	0	110.4	T174 F180 F181 F182	T174-I178 HydrophobicContact CG2-CD1 3.91Å; T174-I178 WeakPolarHBondContact O-CG1 3.28Å; T174-I178 PolarHBondContact O-N 2.92Å; I178-F180 PolarHBondContact O-N 3.17Å; I178-F181 PolarHBondContact O-N 2.84Å; I178-F182 WeakPolarHBondContact O-CB 3.48Å; I178-F182 PolarHBondContact O-N 3.43Å
179	W	98.6	Very high	97.5	Very high	34 Å²	34	47.7 Å²	47.7	13%	0.129	25%	0.253	C	S	.	.	H	α-helix	trans	-67.5	-34.8	-177.5	-170.5	-105.1	0	0	0	112.9	S61 T64 G65 L68 F109 Y113 M175 A176 I177 F182 T183 L187	S61-W179 PolarHBondContact O-NE1 2.95Å; T64-W179 HydrophobicContact CG2-CH2 4.09Å; T64-W179 HydrophobicContact CG2-CZ2 3.93Å; G65-W179 VanDerWaalsContact CA-CE2 3.43Å; G65-W179 VanDerWaalsContact CA-NE1 3.31Å; L68-W179 HydrophobicContact CD1-CE3 4Å; L68-W179 HydrophobicContact CD1-CH2 3.47Å; L68-W179 VanDerWaalsContact CD1-CH2 3.47Å; L68-W179 HydrophobicContact CD1-CZ2 4.25Å; L68-W179 HydrophobicContact CD1-CZ3 3.32Å; F109-W179 HydrophobicContact CE2-CB 4.14Å; F109-W179 HydrophobicContact CZ-CB 4.15Å; F109-W179 HydrophobicContact CZ-CG 4.23Å; Y113-W179 AromaticContact CE2-CD1 3.7Å; M175-W179 WeakPolarHBondContact O-CB 3.48Å; M175-W179 PolarHBondContact O-N 2.99Å; A176-W179 PolarHBondContact O-N 3.47Å; I177-W179 PolarHBondContact O-N 2.56Å; W179-F182 AromaticContact CE3-CD1 3.98Å; W179-F182 HydrophobicContact CE3-CD1 3.98Å; W179-F182 HydrophobicContact CH2-CD1 4.14Å; W179-F182 HydrophobicContact CH2-CE1 4.1Å; W179-F182 AromaticContact CZ3-CD1 3.75Å; W179-F182 HydrophobicContact CZ3-CD1 3.75Å; W179-F182 AromaticContact CZ3-CE1 3.94Å; W179-F182 HydrophobicContact CZ3-CE1 3.94Å; W179-T183 WeakPolarHBondContact O-CB 3.45Å; W179-T183 PolarHBondContact O-N 3.27Å; W179-T183 PolarHBondContact O-OG1 2.61Å; W179-L187 HydrophobicContact CZ2-CD1 4.34Å
180	F	98.1	Very high	97.4	Very high	4 Å²	4	50.5 Å²	50.5	2%	0.018	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-53.1	176	-178	-92	0	0	0	110.8	Y113 L116 F117 L120 R121 A176 I177 I178 F182 T183 Q184	Y113-F180 HydrophobicContact CD1-CD2 4.3Å; Y113-F180 HydrophobicContact CD2-CB 3.85Å; Y113-F180 HydrophobicContact CD2-CD2 4.09Å; Y113-F180 HydrophobicContact CE1-CD2 4.08Å; Y113-F180 HydrophobicContact CE2-CB 3.83Å; Y113-F180 AromaticContact CE2-CD2 3.86Å; Y113-F180 HydrophobicContact CE2-CD2 3.86Å; Y113-F180 HydrophobicContact CE2-CG 4.34Å; Y113-F180 HydrophobicContact CG-CD2 4.31Å; Y113-F180 AromaticContact CZ-CD2 3.86Å; L116-F180 HydrophobicContact CB-CD1 3.89Å; L116-F180 HydrophobicContact CB-CD2 3.77Å; L116-F180 HydrophobicContact CB-CE1 3.92Å; L116-F180 HydrophobicContact CB-CE2 3.81Å; L116-F180 HydrophobicContact CB-CG 3.82Å; L116-F180 HydrophobicContact CB-CZ 3.88Å; L116-F180 HydrophobicContact CD1-CB 3.76Å; L116-F180 HydrophobicContact CD1-CD1 4.01Å; L116-F180 HydrophobicContact CD1-CD2 4.45Å; L116-F180 HydrophobicContact CD1-CG 3.82Å; L116-F180 HydrophobicContact CG-CD1 4.49Å; L116-F180 HydrophobicContact CG-CG 4.47Å; F117-F180 HydrophobicContact CB-CE2 4.09Å; L120-F180 HydrophobicContact CB-CE1 4.26Å; L120-F180 HydrophobicContact CB-CZ 4.26Å; L120-F180 HydrophobicContact CD1-CE1 4Å; R121-F180 HydrophobicContact CB-CZ 4.25Å; A176-F180 WeakPolarHBondContact O-CB 3.47Å; A176-F180 PolarHBondContact O-N 3.2Å; I177-F180 PolarHBondContact O-N 3.17Å; I178-F180 PolarHBondContact O-N 3.17Å; F180-F182 PolarHBondContact O-N 3.34Å; F180-T183 WeakPolarHBondContact O-CB 2.99Å; F180-T183 PolarHBondContact O-N 3.09Å; F180-T183 VanDerWaalsContact O-N 3.12Å; F180-Q184 HydrophobicContact CD1-CG 4.05Å; F180-Q184 HydrophobicContact CE1-CG 3.65Å; F180-Q184 HydrophobicContact CE2-CG 4.39Å; F180-Q184 HydrophobicContact CZ-CG 3.84Å; F180-Q184 WeakPolarHBondContact O-CG 3.25Å; F180-Q184 PolarHBondContact O-N 2.7Å
181	F	97.9	Very high	97.3	Very high	97 Å²	97	47.8 Å²	47.8	43%	0.425	25%	0.249	S	C	.	.	H	α-helix	trans	-64.9	-39.3	178.3	-75.9	-68.1	0	0	0	112.2	L120 I177 I178 T183 Q184 E185	L120-F181 HydrophobicContact CD1-CZ 4.36Å; I177-F181 HydrophobicContact CG2-CD2 3.91Å; I177-F181 HydrophobicContact CG2-CE2 3.89Å; I177-F181 VanDerWaalsContact O-CD2 3.26Å; I177-F181 WeakPolarHBondContact O-CD2 3.49Å; I177-F181 PolarHBondContact O-N 3.44Å; I177-F181 VanDerWaalsContact O-N 3.12Å; I178-F181 PolarHBondContact O-N 2.84Å; F181-T183 VanDerWaalsContact C-N 3.28Å; F181-T183 PolarHBondContact O-N 2.89Å; F181-Q184 PolarHBondContact O-N 2.93Å; F181-E185 WeakPolarHBondContact O-CB 3.39Å; F181-E185 WeakPolarHBondContact O-CG 3.32Å; F181-E185 PolarHBondContact O-N 2.88Å
182	F	98.1	Very high	97.2	Very high	84 Å²	84	50.1 Å²	50.1	37%	0.368	26%	0.264	S	S	.	.	H	α-helix	trans	-57.7	-43	171.7	-179.3	-102.8	0	0	0	111.8	I178 W179 F180 V186 L187	I178-F182 WeakPolarHBondContact O-CB 3.48Å; I178-F182 PolarHBondContact O-N 3.43Å; W179-F182 AromaticContact CE3-CD1 3.98Å; W179-F182 HydrophobicContact CE3-CD1 3.98Å; W179-F182 HydrophobicContact CH2-CD1 4.14Å; W179-F182 HydrophobicContact CH2-CE1 4.1Å; W179-F182 AromaticContact CZ3-CD1 3.75Å; W179-F182 HydrophobicContact CZ3-CD1 3.75Å; W179-F182 AromaticContact CZ3-CE1 3.94Å; W179-F182 HydrophobicContact CZ3-CE1 3.94Å; F180-F182 PolarHBondContact O-N 3.34Å; F182-V186 HydrophobicContact CD2-CB 3.94Å; F182-V186 HydrophobicContact CD2-CG1 4.42Å; F182-V186 HydrophobicContact CD2-CG2 3.73Å; F182-V186 HydrophobicContact CE2-CB 3.84Å; F182-V186 HydrophobicContact CE2-CG1 3.82Å; F182-V186 HydrophobicContact CE2-CG2 3.9Å; F182-V186 HydrophobicContact CZ-CB 4.34Å; F182-V186 HydrophobicContact CZ-CG1 4.14Å; F182-V186 WeakPolarHBondContact O-CA 3.47Å; F182-V186 VanDerWaalsContact O-CB 3.24Å; F182-V186 WeakPolarHBondContact O-CB 3.42Å; F182-V186 PolarHBondContact O-N 3.34Å; F182-L187 HydrophobicContact CD1-CD1 3.99Å; F182-L187 HydrophobicContact CD1-CG 4.02Å; F182-L187 HydrophobicContact CE1-CD1 3.81Å; F182-L187 HydrophobicContact CE1-CD2 3.81Å; F182-L187 HydrophobicContact CE1-CG 3.68Å; F182-L187 HydrophobicContact CZ-CD2 4.19Å; F182-L187 HydrophobicContact CZ-CG 4.4Å; F182-L187 PolarHBondContact O-N 2.93Å; F182-L187 VanDerWaalsContact O-N 3.16Å
183	T	96.9	Very high	97.1	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.294	C	S	.	.	I	π-helix	trans	-64.4	-44.6	176.8	-62	0	0	0	0	111.8	S61 W179 F180 F181 L187 T188 F191	S61-T183 WeakPolarHBondContact OG-CG2 2.92Å; S61-T183 PolarHBondContact OG-OG1 2.71Å; W179-T183 WeakPolarHBondContact O-CB 3.45Å; W179-T183 PolarHBondContact O-N 3.27Å; W179-T183 PolarHBondContact O-OG1 2.61Å; F180-T183 WeakPolarHBondContact O-CB 2.99Å; F180-T183 PolarHBondContact O-N 3.09Å; F180-T183 VanDerWaalsContact O-N 3.12Å; F181-T183 VanDerWaalsContact C-N 3.28Å; F181-T183 PolarHBondContact O-N 2.89Å; T183-L187 PolarHBondContact O-N 3.49Å; T183-T188 WeakPolarHBondContact O-CB 3.44Å; T183-T188 PolarHBondContact O-N 3.33Å; T183-T188 PolarHBondContact O-OG1 3.27Å; T183-F191 HydrophobicContact CG2-CZ 4.26Å
184	Q	94.6	Very high	96.9	Very high	26 Å²	26	57.4 Å²	57.4	12%	0.121	30%	0.295	C	S	.	.	I	π-helix	trans	-71.3	-45.7	-178.1	-59.9	-46.3	-46.9	0	0	112.6	R121 F180 F181 T188 P189	R121-Q184 VanDerWaalsContact CD-OE1 3.29Å; R121-Q184 VanDerWaalsContact NE-OE1 3.08Å; F180-Q184 HydrophobicContact CD1-CG 4.05Å; F180-Q184 HydrophobicContact CE1-CG 3.65Å; F180-Q184 HydrophobicContact CE2-CG 4.39Å; F180-Q184 HydrophobicContact CZ-CG 3.84Å; F180-Q184 WeakPolarHBondContact O-CG 3.25Å; F180-Q184 PolarHBondContact O-N 2.7Å; F181-Q184 PolarHBondContact O-N 2.93Å; Q184-T188 WeakPolarHBondContact O-CB 3.2Å; Q184-P189 WeakPolarHBondContact O-CD 3.14Å
185	E	95.6	Very high	96.8	Very high	137 Å²	137	55.2 Å²	55.2	64%	0.64	28%	0.284	S	S	*	.	I	π-helix	trans	-87.9	-29.7	-171.1	-58.2	-55	141.7	0	0	113.2	F181 P189	F181-E185 WeakPolarHBondContact O-CB 3.39Å; F181-E185 WeakPolarHBondContact O-CG 3.32Å; F181-E185 PolarHBondContact O-N 2.88Å; E185-P189 WeakPolarHBondContact O-CG 3.48Å
186	V	96.8	Very high	96.6	Very high	65 Å²	65	56.7 Å²	56.7	39%	0.394	30%	0.302	S	S	.	.	I	π-helix	trans	-108.2	-54.1	-175.2	-172.9	0	0	0	0	111.4	F182 L190	F182-V186 HydrophobicContact CD2-CB 3.94Å; F182-V186 HydrophobicContact CD2-CG1 4.42Å; F182-V186 HydrophobicContact CD2-CG2 3.73Å; F182-V186 HydrophobicContact CE2-CB 3.84Å; F182-V186 HydrophobicContact CE2-CG1 3.82Å; F182-V186 HydrophobicContact CE2-CG2 3.9Å; F182-V186 HydrophobicContact CZ-CB 4.34Å; F182-V186 HydrophobicContact CZ-CG1 4.14Å; F182-V186 WeakPolarHBondContact O-CA 3.47Å; F182-V186 VanDerWaalsContact O-CB 3.24Å; F182-V186 WeakPolarHBondContact O-CB 3.42Å; F182-V186 PolarHBondContact O-N 3.34Å; V186-L190 WeakPolarHBondContact O-CD1 3.2Å; V186-L190 WeakPolarHBondContact O-CG 3.33Å
187	L	96.4	Very high	96.5	Very high	35 Å²	35	63.4 Å²	63.4	18%	0.183	33%	0.328	C	S	.	.	I	π-helix	trans	-76.8	-40.9	-172.9	-60.7	-179.8	0	0	0	113	S61 W179 F182 T183 L190 F191	S61-L187 VanDerWaalsContact OG-CD1 3.24Å; S61-L187 WeakPolarHBondContact OG-CD1 3.49Å; W179-L187 HydrophobicContact CZ2-CD1 4.34Å; F182-L187 HydrophobicContact CD1-CD1 3.99Å; F182-L187 HydrophobicContact CD1-CG 4.02Å; F182-L187 HydrophobicContact CE1-CD1 3.81Å; F182-L187 HydrophobicContact CE1-CD2 3.81Å; F182-L187 HydrophobicContact CE1-CG 3.68Å; F182-L187 HydrophobicContact CZ-CD2 4.19Å; F182-L187 HydrophobicContact CZ-CG 4.4Å; F182-L187 PolarHBondContact O-N 2.93Å; F182-L187 VanDerWaalsContact O-N 3.16Å; T183-L187 PolarHBondContact O-N 3.49Å; L187-L190 CarbonylContact O-C 3.5Å; L187-L190 WeakPolarHBondContact O-CA 3.43Å; L187-L190 WeakPolarHBondContact O-CB 3.34Å; L187-L190 PolarHBondContact O-N 2.94Å; L187-F191 HydrophobicContact CB-CD1 4.32Å; L187-F191 HydrophobicContact CB-CE1 3.57Å; L187-F191 HydrophobicContact CB-CZ 3.85Å; L187-F191 WeakPolarHBondContact O-CD1 3.49Å; L187-F191 WeakPolarHBondContact O-CG 3.49Å; L187-F191 PolarHBondContact O-N 2.95Å
188	T	94.7	Very high	96.4	Very high	21 Å²	21	65 Å²	65	13%	0.129	34%	0.342	C	S	.	.	H	α-helix	trans	-60	-43.2	-176.3	-56.3	0	0	0	0	112.5	H58 T183 Q184 L190 F191	H58-T188 PolarHBondContact CE1-OG1 3Å; H58-T188 VanDerWaalsContact CE1-OG1 3.28Å; T183-T188 WeakPolarHBondContact O-CB 3.44Å; T183-T188 PolarHBondContact O-N 3.33Å; T183-T188 PolarHBondContact O-OG1 3.27Å; Q184-T188 WeakPolarHBondContact O-CB 3.2Å; T188-L190 PolarHBondContact O-N 3.38Å; T188-F191 HydrophobicContact CG2-CD2 4.45Å; T188-F191 WeakPolarHBondContact O-CB 3.24Å; T188-F191 PolarHBondContact O-N 2.97Å
189	P	95.6	Very high	96.3	Very high	84 Å²	84	65.2 Å²	65.2	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-22.9	171.8	-25.5	35.8	0	0	0	114.7	Q184 E185	Q184-P189 WeakPolarHBondContact O-CD 3.14Å; E185-P189 WeakPolarHBondContact O-CG 3.48Å
190	L	96.1	Very high	96.1	Very high	71 Å²	71	64 Å²	64	37%	0.372	34%	0.341	S	S	.	.	H	α-helix	trans	-89.7	-18.9	178.5	-61.7	174.5	0	0	0	112.9	V186 L187 T188 K193 I194	V186-L190 WeakPolarHBondContact O-CD1 3.2Å; V186-L190 WeakPolarHBondContact O-CG 3.33Å; L187-L190 CarbonylContact O-C 3.5Å; L187-L190 WeakPolarHBondContact O-CA 3.43Å; L187-L190 WeakPolarHBondContact O-CB 3.34Å; L187-L190 PolarHBondContact O-N 2.94Å; T188-L190 PolarHBondContact O-N 3.38Å; L190-K193 WeakPolarHBondContact O-CB 3.49Å; L190-K193 PolarHBondContact O-N 3.21Å; L190-I194 HydrophobicContact CB-CD1 4.02Å; L190-I194 WeakPolarHBondContact O-CG1 3.32Å; L190-I194 PolarHBondContact O-N 3.22Å
191	F	96.6	Very high	95.9	Very high	6 Å²	6	70.4 Å²	70.4	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-54.7	-41.4	-176.9	-74.1	-9.8	0	0	0	114.9	L57 H58 T183 L187 T188 K193 I194 A195 S209	L57-F191 HydrophobicContact CB-CD1 3.96Å; L57-F191 HydrophobicContact CB-CD2 3.87Å; L57-F191 HydrophobicContact CB-CE1 4.02Å; L57-F191 HydrophobicContact CB-CE2 3.98Å; L57-F191 HydrophobicContact CB-CG 3.89Å; L57-F191 HydrophobicContact CB-CZ 4.05Å; L57-F191 HydrophobicContact CD1-CB 3.59Å; L57-F191 HydrophobicContact CD1-CD1 3.93Å; L57-F191 HydrophobicContact CD1-CD2 4.44Å; L57-F191 HydrophobicContact CD1-CG 3.75Å; L57-F191 WeakPolarHBondContact CD1-O 3.33Å; L57-F191 HydrophobicContact CG-CD1 4.4Å; L57-F191 HydrophobicContact CG-CG 4.43Å; H58-F191 AromaticContact CE1-CE2 3.69Å; H58-F191 AromaticContact CG-CE2 3.8Å; H58-F191 AromaticContact ND1-CE2 3.61Å; H58-F191 AromaticContact NE2-CE2 3.99Å; T183-F191 HydrophobicContact CG2-CZ 4.26Å; L187-F191 HydrophobicContact CB-CD1 4.32Å; L187-F191 HydrophobicContact CB-CE1 3.57Å; L187-F191 HydrophobicContact CB-CZ 3.85Å; L187-F191 WeakPolarHBondContact O-CD1 3.49Å; L187-F191 WeakPolarHBondContact O-CG 3.49Å; L187-F191 PolarHBondContact O-N 2.95Å; T188-F191 HydrophobicContact CG2-CD2 4.45Å; T188-F191 WeakPolarHBondContact O-CB 3.24Å; T188-F191 PolarHBondContact O-N 2.97Å; F191-K193 VanDerWaalsContact C-N 3.26Å; F191-K193 PolarHBondContact O-N 2.89Å; F191-I194 HydrophobicContact CD1-CD1 4.19Å; F191-I194 PolarHBondContact O-N 3.45Å; F191-A195 WeakPolarHBondContact O-CB 3.32Å; F191-A195 PolarHBondContact O-N 3.09Å; F191-S209 WeakPolarHBondContact CD2-OG 3.29Å
192	P	95.1	Very high	95.8	Very high	77 Å²	77	74.6 Å²	74.6	50%	0.5	39%	0.385	S	S	.	.	H	α-helix	trans	-60.2	-36.7	175.6	-25.7	34.4	0	0	0	112.9	A196 D207	P192-A196 WeakPolarHBondContact O-CB 3.28Å; P192-A196 PolarHBondContact O-N 3.43Å; P192-D207 WeakPolarHBondContact CD-OD2 3.31Å; P192-D207 WeakPolarHBondContact CG-OD2 2.98Å
193	K	95.9	Very high	95.6	Very high	144 Å²	144	76.3 Å²	76.3	63%	0.626	39%	0.392	S	S	*	.	H	α-helix	trans	-72.1	-41.5	177.3	-63.5	179.7	-179.2	175.6	0	111.3	L190 F191 A196 W197	L190-K193 WeakPolarHBondContact O-CB 3.49Å; L190-K193 PolarHBondContact O-N 3.21Å; F191-K193 VanDerWaalsContact C-N 3.26Å; F191-K193 PolarHBondContact O-N 2.89Å; K193-A196 PolarHBondContact O-N 2.95Å; K193-W197 VanDerWaalsContact O-CD1 3.23Å; K193-W197 PolarHBondContact O-N 2.79Å; K193-W197 PolarHBondContact O-NE1 2.91Å
194	I	95.6	Very high	95.5	Very high	34 Å²	34	81.7 Å²	81.7	17%	0.174	42%	0.421	C	S	.	.	H	α-helix	trans	-65.3	-43.2	178.4	-66.3	166.3	0	0	0	110.4	L57 L190 F191 A196 W197 S200	L57-I194 HydrophobicContact CD1-CB 4.48Å; L57-I194 HydrophobicContact CD1-CG2 4.42Å; L57-I194 HydrophobicContact CD2-CG2 3.83Å; L190-I194 HydrophobicContact CB-CD1 4.02Å; L190-I194 WeakPolarHBondContact O-CG1 3.32Å; L190-I194 PolarHBondContact O-N 3.22Å; F191-I194 HydrophobicContact CD1-CD1 4.19Å; F191-I194 PolarHBondContact O-N 3.45Å; I194-A196 PolarHBondContact O-N 2.92Å; I194-W197 HydrophobicContact CG1-CH2 3.97Å; I194-W197 HydrophobicContact CG1-CZ2 4.06Å; I194-W197 HydrophobicContact CG1-CZ3 4.27Å; I194-W197 HydrophobicContact CG2-CE3 4.07Å; I194-W197 HydrophobicContact CG2-CZ3 4.09Å; I194-W197 WeakPolarHBondContact O-CB 3.49Å; I194-W197 PolarHBondContact O-N 2.82Å; I194-W197 VanDerWaalsContact O-N 3.15Å; I194-S200 WeakPolarHBondContact O-CB 3.24Å; I194-S200 PolarHBondContact O-OG 3.02Å
195	A	95.3	Very high	95.6	Very high	24 Å²	24	81.9 Å²	81.9	20%	0.198	42%	0.423	C	S	.	.	H	α-helix	trans	-62.4	-29.8	177.3	0	0	0	0	0	112.5	L57 F191 W197 S200 D207	L57-A195 HydrophobicContact CD1-CB 4.1Å; F191-A195 WeakPolarHBondContact O-CB 3.32Å; F191-A195 PolarHBondContact O-N 3.09Å; A195-W197 VanDerWaalsContact C-N 3.32Å; A195-W197 PolarHBondContact O-N 3.34Å; A195-S200 WeakPolarHBondContact O-CB 3.36Å; A195-D207 HydrophobicContact CB-CB 4.14Å
196	A	95.3	Very high	95.5	Very high	72 Å²	72	79.2 Å²	79.2	60%	0.595	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-1.5	177.6	0	0	0	0	0	114.5	P192 K193 I194	P192-A196 WeakPolarHBondContact O-CB 3.28Å; P192-A196 PolarHBondContact O-N 3.43Å; K193-A196 PolarHBondContact O-N 2.95Å; I194-A196 PolarHBondContact O-N 2.92Å
197	W	96.8	Very high	95.3	Very high	141 Å²	141	78.4 Å²	78.4	53%	0.534	40%	0.401	S	S	.	.	S	Bend	trans	-68.2	146.1	175.1	-69	-14.1	0	0	0	111.5	K193 I194 A195 I199 S200 E201	K193-W197 VanDerWaalsContact O-CD1 3.23Å; K193-W197 PolarHBondContact O-N 2.79Å; K193-W197 PolarHBondContact O-NE1 2.91Å; I194-W197 HydrophobicContact CG1-CH2 3.97Å; I194-W197 HydrophobicContact CG1-CZ2 4.06Å; I194-W197 HydrophobicContact CG1-CZ3 4.27Å; I194-W197 HydrophobicContact CG2-CE3 4.07Å; I194-W197 HydrophobicContact CG2-CZ3 4.09Å; I194-W197 WeakPolarHBondContact O-CB 3.49Å; I194-W197 PolarHBondContact O-N 2.82Å; I194-W197 VanDerWaalsContact O-N 3.15Å; A195-W197 VanDerWaalsContact C-N 3.32Å; A195-W197 PolarHBondContact O-N 3.34Å; W197-I199 HydrophobicContact CB-CG2 4.22Å; W197-I199 PolarHBondContact O-N 3.25Å; W197-I199 VanDerWaalsContact O-N 3.13Å; W197-S200 WeakPolarHBondContact O-CA 3.27Å; W197-S200 WeakPolarHBondContact O-CB 3.35Å; W197-S200 PolarHBondContact O-N 3.46Å; W197-E201 PolarHBondContact O-N 2.92Å
198	P	96.7	Very high	94.9	Very high	107 Å²	107	78 Å²	78	70%	0.695	40%	0.4	S	S	*	.	H	α-helix	trans	-55.9	-36.1	-179.8	-26.9	34.3	0	0	0	113.6	Y202	P198-Y202 VanDerWaalsContact O-CB 3.32Å; P198-Y202 WeakPolarHBondContact O-CB 3.41Å; P198-Y202 PolarHBondContact O-N 3.02Å
199	I	95.9	Very high	94.5	Very high	106 Å²	106	77.4 Å²	77.4	54%	0.544	40%	0.397	S	S	.	.	H	α-helix	trans	-69.5	-39	177	-165.9	160.7	0	0	0	112	W197 Y202 F203	W197-I199 HydrophobicContact CB-CG2 4.22Å; W197-I199 PolarHBondContact O-N 3.25Å; W197-I199 VanDerWaalsContact O-N 3.13Å; I199-Y202 PolarHBondContact O-N 3.46Å; I199-F203 HydrophobicContact CD1-CE2 4.21Å; I199-F203 HydrophobicContact CG1-CD2 3.76Å; I199-F203 HydrophobicContact CG1-CE2 3.71Å; I199-F203 WeakPolarHBondContact O-CD2 3.44Å; I199-F203 PolarHBondContact O-N 3.45Å
200	S	94.8	Very high	94	Very high	9 Å²	9	81.3 Å²	81.3	6%	0.063	41%	0.412	C	S	.	.	H	α-helix	trans	-66.5	-41	177.1	-63	0	0	0	0	110.9	I194 A195 W197 F203 L204 V205	I194-S200 WeakPolarHBondContact O-CB 3.24Å; I194-S200 PolarHBondContact O-OG 3.02Å; A195-S200 WeakPolarHBondContact O-CB 3.36Å; W197-S200 WeakPolarHBondContact O-CA 3.27Å; W197-S200 WeakPolarHBondContact O-CB 3.35Å; W197-S200 PolarHBondContact O-N 3.46Å; S200-F203 PolarHBondContact O-N 2.89Å; S200-L204 PolarHBondContact O-N 3.4Å; S200-V205 PolarHBondContact O-N 2.92Å
201	E	93.1	Very high	93.4	Very high	139 Å²	139	80.4 Å²	80.4	65%	0.65	41%	0.407	S	S	*	.	H	α-helix	trans	-64.9	-46.2	174.3	-172.3	175.5	-173.2	0	0	111.5	W197 F203 L204	W197-E201 PolarHBondContact O-N 2.92Å; E201-F203 VanDerWaalsContact C-N 3.28Å; E201-F203 PolarHBondContact O-N 3.34Å; E201-L204 PolarHBondContact O-N 2.65Å
202	Y	95.3	Very high	92.4	Very high	185 Å²	185	84 Å²	84	73%	0.725	43%	0.431	S	S	*	.	H	α-helix	trans	-55.7	-43.2	176.3	178	-96.5	0	0	0	112.3	P198 I199 L204	P198-Y202 VanDerWaalsContact O-CB 3.32Å; P198-Y202 WeakPolarHBondContact O-CB 3.41Å; P198-Y202 PolarHBondContact O-N 3.02Å; I199-Y202 PolarHBondContact O-N 3.46Å; Y202-L204 VanDerWaalsContact C-N 3.32Å
203	F	95.4	Very high	91.7	Very high	119 Å²	119	83.2 Å²	83.2	52%	0.522	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-1.9	177.2	-73.8	-66.1	0	0	0	113.9	R55 I199 S200 E201 V205	R55-F203 WeakPolarHBondContact CD-O 3.27Å; R55-F203 PolarHBondContact NE-O 3.16Å; I199-F203 HydrophobicContact CD1-CE2 4.21Å; I199-F203 HydrophobicContact CG1-CD2 3.76Å; I199-F203 HydrophobicContact CG1-CE2 3.71Å; I199-F203 WeakPolarHBondContact O-CD2 3.44Å; I199-F203 PolarHBondContact O-N 3.45Å; S200-F203 PolarHBondContact O-N 2.89Å; E201-F203 VanDerWaalsContact C-N 3.28Å; E201-F203 PolarHBondContact O-N 3.34Å; F203-V205 VanDerWaalsContact C-N 3.31Å; F203-V205 HydrophobicContact CB-CG2 4.04Å; F203-V205 PolarHBondContact O-N 3.33Å
204	L	94.9	Very high	91.1	Very high	114 Å²	114	78.8 Å²	78.8	60%	0.597	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	43.5	-175.9	-49.1	171.3	0	0	0	112.3	R55 S200 E201 Y202	R55-L204 PolarHBondContact NE-O 3.44Å; S200-L204 PolarHBondContact O-N 3.4Å; E201-L204 PolarHBondContact O-N 2.65Å; Y202-L204 VanDerWaalsContact C-N 3.32Å
205	V	96.2	Very high	90.5	Very high	29 Å²	29	83.3 Å²	83.3	18%	0.176	43%	0.429	C	S	.	.			trans	-71.1	135.7	173.5	176.1	0	0	0	0	109.3	R55 L57 I60 S200 F203	R55-V205 WeakPolarHBondContact O-CA 3.5Å; L57-V205 HydrophobicContact CD1-CG1 4.49Å; L57-V205 HydrophobicContact CD2-CG1 3.55Å; L57-V205 HydrophobicContact CG-CG1 3.74Å; I60-V205 HydrophobicContact CD1-CG1 4.41Å; S200-V205 PolarHBondContact O-N 2.92Å; F203-V205 VanDerWaalsContact C-N 3.31Å; F203-V205 HydrophobicContact CB-CG2 4.04Å; F203-V205 PolarHBondContact O-N 3.33Å
206	R	93.4	Very high	89.9	Confident	82 Å²	82	90 Å²	90	31%	0.309	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-115.8	141.6	-171.3	-60.2	-173.3	-65.5	160.4	17.1	111.5	K54 R55 E56 L57 E218	K54-R206 VanDerWaalsContact O-CZ 3.3Å; K54-R206 PolarHBondContact O-NE 3.18Å; K54-R206 PolarHBondContact O-NH2 2.94Å; R55-R206 PolarHBondContact O-N 2.92Å; E56-R206 VanDerWaalsContact OE1-CB 3.29Å; E56-R206 WeakPolarHBondContact OE1-CB 3.46Å; E56-R206 IonicContact OE1-CZ 2.65Å; E56-R206 IonicContact OE1-NE 3.22Å; E56-R206 PolarHBondContact OE1-NE 3.31Å; E56-R206 IonicContact OE1-NH1 2.92Å; E56-R206 IonicContact OE1-NH2 3.34Å; E56-R206 PolarHBondContact OE1-NH2 3.44Å; L57-R206 PolarHBondContact N-O 3.33Å; R206-E218 IonicContact CZ-OE1 3.98Å; R206-E218 IonicContact NH1-OE1 2.96Å; R206-E218 PolarHBondContact NH1-OE1 3.05Å; R206-E218 IonicContact NH2-OE1 3.92Å; R206-E218 PolarHBondContact NH2-OE1 3.38Å
207	D	92.9	Very high	89.6	Confident	48 Å²	48	91.1 Å²	91.1	26%	0.257	44%	0.441	S	S	.	.			trans	-107	113.5	166.4	-178.3	11.7	0	0	0	109.5	L57 P192 A195 S209	L57-D207 HydrophobicContact CD1-CB 4.12Å; P192-D207 WeakPolarHBondContact CD-OD2 3.31Å; P192-D207 WeakPolarHBondContact CG-OD2 2.98Å; A195-D207 HydrophobicContact CB-CB 4.14Å; D207-S209 WeakPolarHBondContact OD1-CB 3.36Å; D207-S209 PolarHBondContact OD1-N 3.39Å; D207-S209 PolarHBondContact OD1-OG 3.17Å
208	T	88.3	Confident	89.2	Confident	25 Å²	25	86.1 Å²	86.1	15%	0.153	42%	0.424	C	S	.	.			trans	-110.5	14.8	177.6	51.9	0	0	0	0	112.8	E56 L210 I211 I214	E56-T208 VanDerWaalsContact CD-CG2 3.49Å; E56-T208 WeakPolarHBondContact OE1-CG2 3.36Å; E56-T208 VanDerWaalsContact OE2-CB 3.31Å; E56-T208 WeakPolarHBondContact OE2-CB 3.45Å; E56-T208 WeakPolarHBondContact OE2-CG2 3.45Å; E56-T208 PolarHBondContact OE2-OG1 2.95Å; T208-L210 PolarHBondContact O-N 3.41Å; T208-L210 VanDerWaalsContact O-N 3.09Å; T208-I211 HydrophobicContact CG2-CD1 4.08Å; T208-I211 PolarHBondContact O-N 3.4Å; T208-I214 HydrophobicContact CG2-CD1 3.5Å; T208-I214 HydrophobicContact CG2-CG1 4.24Å
209	S	85.4	Confident	88.9	Confident	10 Å²	10	86.8 Å²	86.8	7%	0.07	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.3	-173.7	-59.2	0	0	0	0	114.5	H58 R121 F191 D207	H58-S209 PolarHBondContact NE2-OG 3.36Å; R121-S209 PolarHBondContact NH1-O 2.97Å; R121-S209 PolarHBondContact NH2-O 3.36Å; F191-S209 WeakPolarHBondContact CD2-OG 3.29Å; D207-S209 WeakPolarHBondContact OD1-CB 3.36Å; D207-S209 PolarHBondContact OD1-N 3.39Å; D207-S209 PolarHBondContact OD1-OG 3.17Å
210	L	85.4	Confident	88.7	Confident	166 Å²	166	84 Å²	84	87%	0.869	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-3	-179.5	-60.5	179	0	0	0	113.2	T208 P212	T208-L210 PolarHBondContact O-N 3.41Å; T208-L210 VanDerWaalsContact O-N 3.09Å; L210-P212 WeakPolarHBondContact O-CD 3.41Å
211	I	83.6	Confident	88.6	Confident	51 Å²	51	86.6 Å²	86.6	26%	0.262	42%	0.416	S	S	.	.			trans	-92	111.9	-177.2	-54.8	-175	0	0	0	109	T208 N213 I214 F217	T208-I211 HydrophobicContact CG2-CD1 4.08Å; T208-I211 PolarHBondContact O-N 3.4Å; I211-N213 PolarHBondContact O-N 3.22Å; I211-I214 HydrophobicContact CD1-CD1 4.07Å; I211-I214 HydrophobicContact CG2-CD1 4.27Å; I211-F217 HydrophobicContact CD1-CD1 3.81Å; I211-F217 HydrophobicContact CD1-CE1 3.81Å; I211-F217 HydrophobicContact CD1-CG 4.27Å; I211-F217 HydrophobicContact CD1-CZ 4.27Å; I211-F217 HydrophobicContact CG2-CB 3.69Å; I211-F217 HydrophobicContact CG2-CD1 4.3Å; I211-F217 HydrophobicContact CG2-CD2 4.43Å; I211-F217 HydrophobicContact CG2-CG 3.89Å
212	P	76.1	Confident	88.5	Confident	82 Å²	82	84.5 Å²	84.5	53%	0.532	41%	0.413	S	S	.	.	S	Bend	trans	-69.1	-34.9	-172.2	25.4	-33.8	0	0	0	113.2	H123 L210	H123-P212 HydrophobicContact CB-CB 4Å; L210-P212 WeakPolarHBondContact O-CD 3.41Å
213	N	79.2	Confident	88.4	Confident	60 Å²	60	81 Å²	81	32%	0.321	40%	0.399	S	S	.	.			trans	-135.7	93.6	175	-174	-27.3	0	0	0	109.6	T125 I211 L215 W216 F217	T125-N213 HydrophobicContact CG2-CB 4.32Å; I211-N213 PolarHBondContact O-N 3.22Å; N213-L215 VanDerWaalsContact C-N 3.3Å; N213-L215 PolarHBondContact O-N 2.94Å; N213-L215 PolarHBondContact OD1-N 3.11Å; N213-W216 HydrophobicContact CB-CB 4.07Å; N213-W216 PolarHBondContact O-N 2.96Å; N213-W216 PolarHBondContact OD1-N 2.67Å; N213-F217 WeakPolarHBondContact O-CB 3.34Å; N213-F217 PolarHBondContact O-N 3.04Å
214	I	83.9	Confident	88.4	Confident	51 Å²	51	78.1 Å²	78.1	26%	0.262	39%	0.393	S	S	.	.	H	α-helix	trans	-62	-36.9	-178.2	-173.4	57.9	0	0	0	112.6	T208 I211 F217 E218	T208-I214 HydrophobicContact CG2-CD1 3.5Å; T208-I214 HydrophobicContact CG2-CG1 4.24Å; I211-I214 HydrophobicContact CD1-CD1 4.07Å; I211-I214 HydrophobicContact CG2-CD1 4.27Å; I214-F217 HydrophobicContact CD1-CD1 4.22Å; I214-F217 PolarHBondContact O-N 3.12Å; I214-E218 HydrophobicContact CD1-CG 3.88Å; I214-E218 HydrophobicContact CG1-CG 4.18Å; I214-E218 WeakPolarHBondContact O-CB 3.34Å; I214-E218 WeakPolarHBondContact O-CG 3.2Å; I214-E218 PolarHBondContact O-N 2.85Å
215	L	82.1	Confident	88.4	Confident	129 Å²	129	76.5 Å²	76.5	68%	0.675	38%	0.382	S	S	*	.	H	α-helix	trans	-66	-45.2	-178.9	-63.4	177.1	0	0	0	111	N213 Y219	N213-L215 VanDerWaalsContact C-N 3.3Å; N213-L215 PolarHBondContact O-N 2.94Å; N213-L215 PolarHBondContact OD1-N 3.11Å; L215-Y219 VanDerWaalsContact O-CB 3.3Å; L215-Y219 WeakPolarHBondContact O-CB 3.3Å; L215-Y219 PolarHBondContact O-N 3.17Å
216	W	84.1	Confident	88.3	Confident	165 Å²	165	77.4 Å²	77.4	63%	0.625	39%	0.393	S	S	*	.	H	α-helix	trans	-66.1	-41.7	175.8	-178.6	-105.4	0	0	0	112	N213 Y219 T220	N213-W216 HydrophobicContact CB-CB 4.07Å; N213-W216 PolarHBondContact O-N 2.96Å; N213-W216 PolarHBondContact OD1-N 2.67Å; W216-Y219 HydrophobicContact CE3-CD1 4.45Å; W216-Y219 HydrophobicContact CZ3-CD1 4.32Å; W216-Y219 PolarHBondContact O-N 3.14Å; W216-T220 HydrophobicContact CD2-CG2 3.95Å; W216-T220 VanDerWaalsContact CE2-CG2 3.48Å; W216-T220 HydrophobicContact CE3-CG2 4.48Å; W216-T220 HydrophobicContact CG-CG2 4.41Å; W216-T220 HydrophobicContact CH2-CG2 4.23Å; W216-T220 HydrophobicContact CZ2-CG2 3.65Å; W216-T220 WeakPolarHBondContact O-CB 3.41Å; W216-T220 WeakPolarHBondContact O-CG2 3.45Å; W216-T220 PolarHBondContact O-N 2.96Å; W216-T220 PolarHBondContact O-OG1 3.21Å
217	F	88.3	Confident	88.3	Confident	96 Å²	96	79.5 Å²	79.5	42%	0.421	40%	0.401	S	S	.	.	H	α-helix	trans	-61	-52.8	177.2	177.6	-97.7	0	0	0	111.6	I211 N213 I214 Y219 T220 V221	I211-F217 HydrophobicContact CD1-CD1 3.81Å; I211-F217 HydrophobicContact CD1-CE1 3.81Å; I211-F217 HydrophobicContact CD1-CG 4.27Å; I211-F217 HydrophobicContact CD1-CZ 4.27Å; I211-F217 HydrophobicContact CG2-CB 3.69Å; I211-F217 HydrophobicContact CG2-CD1 4.3Å; I211-F217 HydrophobicContact CG2-CD2 4.43Å; I211-F217 HydrophobicContact CG2-CG 3.89Å; N213-F217 WeakPolarHBondContact O-CB 3.34Å; N213-F217 PolarHBondContact O-N 3.04Å; I214-F217 HydrophobicContact CD1-CD1 4.22Å; I214-F217 PolarHBondContact O-N 3.12Å; F217-Y219 VanDerWaalsContact C-N 3.31Å; F217-Y219 PolarHBondContact O-N 3.33Å; F217-T220 PolarHBondContact O-N 3.36Å; F217-T220 PolarHBondContact O-OG1 3.07Å; F217-T220 VanDerWaalsContact O-OG1 3.12Å; F217-V221 HydrophobicContact CD2-CG2 4.09Å; F217-V221 HydrophobicContact CE1-CG2 4.24Å; F217-V221 HydrophobicContact CE2-CG2 3.77Å; F217-V221 HydrophobicContact CG-CG2 4.46Å; F217-V221 HydrophobicContact CZ-CG2 3.86Å; F217-V221 WeakPolarHBondContact O-CB 3.4Å; F217-V221 WeakPolarHBondContact O-CG2 3.37Å; F217-V221 PolarHBondContact O-N 3.47Å
218	E	89	Confident	88.3	Confident	36 Å²	36	80.7 Å²	80.7	17%	0.168	41%	0.407	C	S	.	.	H	α-helix	trans	-59.8	-42	179.2	-74.1	-173.9	148.9	0	0	111.3	K54 R206 I214 T222	K54-E218 IonicContact NZ-OE1 2.74Å; K54-E218 PolarHBondContact NZ-OE1 3.15Å; K54-E218 IonicContact NZ-OE2 2.85Å; K54-E218 PolarHBondContact NZ-OE2 3.06Å; R206-E218 IonicContact CZ-OE1 3.98Å; R206-E218 IonicContact NH1-OE1 2.96Å; R206-E218 PolarHBondContact NH1-OE1 3.05Å; R206-E218 IonicContact NH2-OE1 3.92Å; R206-E218 PolarHBondContact NH2-OE1 3.38Å; I214-E218 HydrophobicContact CD1-CG 3.88Å; I214-E218 HydrophobicContact CG1-CG 4.18Å; I214-E218 WeakPolarHBondContact O-CB 3.34Å; I214-E218 WeakPolarHBondContact O-CG 3.2Å; I214-E218 PolarHBondContact O-N 2.85Å; E218-T222 WeakPolarHBondContact O-CB 3.46Å; E218-T222 PolarHBondContact O-N 2.85Å; E218-T222 VanDerWaalsContact O-N 3.11Å; E218-T222 PolarHBondContact O-OG1 2.74Å
219	Y	88.8	Confident	88.6	Confident	121 Å²	121	86.9 Å²	86.9	48%	0.475	43%	0.428	S	S	.	.	H	α-helix	trans	-61.2	-50.8	177.3	175.1	-100.6	0	0	0	112.8	L215 W216 F217 R223	L215-Y219 VanDerWaalsContact O-CB 3.3Å; L215-Y219 WeakPolarHBondContact O-CB 3.3Å; L215-Y219 PolarHBondContact O-N 3.17Å; W216-Y219 HydrophobicContact CE3-CD1 4.45Å; W216-Y219 HydrophobicContact CZ3-CD1 4.32Å; W216-Y219 PolarHBondContact O-N 3.14Å; F217-Y219 VanDerWaalsContact C-N 3.31Å; F217-Y219 PolarHBondContact O-N 3.33Å; Y219-R223 VanDerWaalsContact O-CB 3.22Å; Y219-R223 WeakPolarHBondContact O-CB 3.4Å; Y219-R223 PolarHBondContact O-N 3.43Å; Y219-R223 PolarHBondContact OH-NH1 2.95Å
220	T	91.8	Very high	88.9	Confident	46 Å²	46	92.8 Å²	92.8	28%	0.282	45%	0.454	S	S	.	.	H	α-helix	trans	-69.4	-44.2	-173.8	49.5	0	0	0	0	112.1	W216 F217 R223 S224	W216-T220 HydrophobicContact CD2-CG2 3.95Å; W216-T220 VanDerWaalsContact CE2-CG2 3.48Å; W216-T220 HydrophobicContact CE3-CG2 4.48Å; W216-T220 HydrophobicContact CG-CG2 4.41Å; W216-T220 HydrophobicContact CH2-CG2 4.23Å; W216-T220 HydrophobicContact CZ2-CG2 3.65Å; W216-T220 WeakPolarHBondContact O-CB 3.41Å; W216-T220 WeakPolarHBondContact O-CG2 3.45Å; W216-T220 PolarHBondContact O-N 2.96Å; W216-T220 PolarHBondContact O-OG1 3.21Å; F217-T220 PolarHBondContact O-N 3.36Å; F217-T220 PolarHBondContact O-OG1 3.07Å; F217-T220 VanDerWaalsContact O-OG1 3.12Å; T220-R223 PolarHBondContact O-N 2.74Å; T220-S224 WeakPolarHBondContact O-CB 3.22Å; T220-S224 PolarHBondContact O-N 3.31Å; T220-S224 PolarHBondContact O-OG 3.25Å
221	V	92.9	Very high	89.2	Confident	65 Å²	65	93.6 Å²	93.6	39%	0.394	45%	0.446	S	S	.	.	H	α-helix	trans	-62.2	-50.4	177.4	174.1	0	0	0	0	110.1	F217 R223 S224 E225	F217-V221 HydrophobicContact CD2-CG2 4.09Å; F217-V221 HydrophobicContact CE1-CG2 4.24Å; F217-V221 HydrophobicContact CE2-CG2 3.77Å; F217-V221 HydrophobicContact CG-CG2 4.46Å; F217-V221 HydrophobicContact CZ-CG2 3.86Å; F217-V221 WeakPolarHBondContact O-CB 3.4Å; F217-V221 WeakPolarHBondContact O-CG2 3.37Å; F217-V221 PolarHBondContact O-N 3.47Å; V221-R223 VanDerWaalsContact C-N 3.34Å; V221-R223 PolarHBondContact O-N 3.36Å; V221-S224 PolarHBondContact O-N 2.95Å; V221-S224 PolarHBondContact O-OG 3.42Å; V221-E225 WeakPolarHBondContact O-CB 3.48Å; V221-E225 PolarHBondContact O-N 2.91Å
222	T	92.6	Very high	89.4	Confident	95 Å²	95	98.2 Å²	98.2	58%	0.583	46%	0.464	S	S	*	.	H	α-helix	trans	-59.4	-44.9	179.4	-55.6	0	0	0	0	111.7	E218 S224 E225 A226	E218-T222 WeakPolarHBondContact O-CB 3.46Å; E218-T222 PolarHBondContact O-N 2.85Å; E218-T222 VanDerWaalsContact O-N 3.11Å; E218-T222 PolarHBondContact O-OG1 2.74Å; T222-S224 PolarHBondContact O-N 2.97Å; T222-E225 PolarHBondContact O-N 2.95Å; T222-A226 WeakPolarHBondContact O-CB 3.46Å; T222-A226 PolarHBondContact O-N 2.99Å
223	R	93.1	Very high	89.9	Confident	112 Å²	112	99.6 Å²	99.6	42%	0.423	47%	0.466	S	S	.	.	H	α-helix	trans	-64.3	-40.6	178.6	-177.8	173.9	176.5	167	0.4	112.3	Y219 T220 V221 R227	Y219-R223 VanDerWaalsContact O-CB 3.22Å; Y219-R223 WeakPolarHBondContact O-CB 3.4Å; Y219-R223 PolarHBondContact O-N 3.43Å; Y219-R223 PolarHBondContact OH-NH1 2.95Å; T220-R223 PolarHBondContact O-N 2.74Å; V221-R223 VanDerWaalsContact C-N 3.34Å; V221-R223 PolarHBondContact O-N 3.36Å; R223-R227 WeakPolarHBondContact O-CG 3.36Å; R223-R227 PolarHBondContact O-N 2.83Å
224	S	95	Very high	89.8	Confident	57 Å²	57	98.6 Å²	98.6	40%	0.399	47%	0.47	S	S	.	.	H	α-helix	trans	-65.5	-43.8	177.3	69.4	0	0	0	0	111.9	T220 V221 T222 R227 N228	T220-S224 WeakPolarHBondContact O-CB 3.22Å; T220-S224 PolarHBondContact O-N 3.31Å; T220-S224 PolarHBondContact O-OG 3.25Å; V221-S224 PolarHBondContact O-N 2.95Å; V221-S224 PolarHBondContact O-OG 3.42Å; T222-S224 PolarHBondContact O-N 2.97Å; S224-R227 PolarHBondContact O-N 2.99Å; S224-N228 VanDerWaalsContact O-CG 3.26Å; S224-N228 PolarHBondContact O-N 3.49Å; S224-N228 PolarHBondContact O-ND2 3.36Å
225	E	94.9	Very high	89.2	Confident	80 Å²	80	100.7 Å²	100.7	37%	0.374	49%	0.486	S	S	.	.	H	α-helix	trans	-67.6	-41.9	-178.6	-179.1	59.2	-168.8	0	0	111.3	V221 T222 R227 N228 R229	V221-E225 WeakPolarHBondContact O-CB 3.48Å; V221-E225 PolarHBondContact O-N 2.91Å; T222-E225 PolarHBondContact O-N 2.95Å; E225-R227 VanDerWaalsContact C-N 3.35Å; E225-R227 PolarHBondContact O-N 3.42Å; E225-N228 PolarHBondContact O-N 3.5Å; E225-R229 WeakPolarHBondContact O-CG 3.39Å; E225-R229 PolarHBondContact O-N 3.22Å; E225-R229 IonicContact OE1-CZ 2.7Å; E225-R229 VanDerWaalsContact OE1-CZ 3.22Å; E225-R229 IonicContact OE1-NE 3.54Å; E225-R229 PolarHBondContact OE1-NE 2.97Å; E225-R229 IonicContact OE1-NH2 2.88Å; E225-R229 PolarHBondContact OE1-NH2 3.32Å
226	A	93.4	Very high	88.4	Confident	48 Å²	48	103 Å²	103	40%	0.397	49%	0.49	S	S	.	.	H	α-helix	trans	-58.2	-45.6	174.5	0	0	0	0	0	112.1	T222 R229 Q230	T222-A226 WeakPolarHBondContact O-CB 3.46Å; T222-A226 PolarHBondContact O-N 2.99Å; A226-R229 PolarHBondContact O-N 2.98Å; A226-Q230 WeakPolarHBondContact O-CG 3.36Å; A226-Q230 PolarHBondContact O-N 2.76Å
227	R	93.6	Very high	87.3	Confident	127 Å²	127	102.4 Å²	102.4	48%	0.479	50%	0.499	S	S	.	.	H	α-helix	trans	-63.1	-42.6	176.6	-76.3	172.6	165	-174.1	-12	112.3	R223 S224 E225 R229 Q230 R231	R223-R227 WeakPolarHBondContact O-CG 3.36Å; R223-R227 PolarHBondContact O-N 2.83Å; S224-R227 PolarHBondContact O-N 2.99Å; E225-R227 VanDerWaalsContact C-N 3.35Å; E225-R227 PolarHBondContact O-N 3.42Å; R227-R229 VanDerWaalsContact C-N 3.33Å; R227-R229 PolarHBondContact O-N 3.44Å; R227-Q230 PolarHBondContact O-N 3.42Å; R227-R231 WeakPolarHBondContact O-CG 3.47Å; R227-R231 PolarHBondContact O-N 3.49Å
228	N	93.9	Very high	85.5	Confident	73 Å²	73	108.4 Å²	108.4	39%	0.39	53%	0.528	S	S	.	.	H	α-helix	trans	-63.1	-40.9	178.1	-72.5	-17.4	0	0	0	111.5	S224 E225 R231 K232	S224-N228 VanDerWaalsContact O-CG 3.26Å; S224-N228 PolarHBondContact O-N 3.49Å; S224-N228 PolarHBondContact O-ND2 3.36Å; E225-N228 PolarHBondContact O-N 3.5Å; N228-R231 PolarHBondContact O-N 2.97Å; N228-K232 WeakPolarHBondContact O-CG 3.37Å; N228-K232 PolarHBondContact O-N 3.15Å; N228-K232 VanDerWaalsContact O-N 3.15Å
229	R	93.1	Very high	85.4	Confident	155 Å²	155	112.1 Å²	112.1	59%	0.585	55%	0.546	S	S	*	.	H	α-helix	trans	-66.7	-43	175.9	-71.4	-179.3	-177.6	-105.8	-8	112.6	E225 A226 R227 R231 K232 L233	E225-R229 WeakPolarHBondContact O-CG 3.39Å; E225-R229 PolarHBondContact O-N 3.22Å; E225-R229 IonicContact OE1-CZ 2.7Å; E225-R229 VanDerWaalsContact OE1-CZ 3.22Å; E225-R229 IonicContact OE1-NE 3.54Å; E225-R229 PolarHBondContact OE1-NE 2.97Å; E225-R229 IonicContact OE1-NH2 2.88Å; E225-R229 PolarHBondContact OE1-NH2 3.32Å; A226-R229 PolarHBondContact O-N 2.98Å; R227-R229 VanDerWaalsContact C-N 3.33Å; R227-R229 PolarHBondContact O-N 3.44Å; R229-R231 VanDerWaalsContact C-N 3.32Å; R229-R231 PolarHBondContact O-N 3.47Å; R229-K232 PolarHBondContact O-N 3.49Å; R229-L233 PolarHBondContact O-N 3.4Å
230	Q	92.1	Very high	85.2	Confident	134 Å²	134	111.6 Å²	111.6	63%	0.626	55%	0.55	S	S	*	.	H	α-helix	trans	-58.6	-43.6	175.4	-76.3	176	-21.4	0	0	112	A226 R227 K232 L233 G234	A226-Q230 WeakPolarHBondContact O-CG 3.36Å; A226-Q230 PolarHBondContact O-N 2.76Å; R227-Q230 PolarHBondContact O-N 3.42Å; Q230-K232 PolarHBondContact O-N 3.43Å; Q230-L233 PolarHBondContact O-N 3.13Å; Q230-G234 PolarHBondContact O-N 2.72Å
231	R	90.8	Very high	84.8	Confident	182 Å²	182	115.2 Å²	115.2	69%	0.687	57%	0.565	S	S	*	*	H	α-helix	trans	-60.3	-45.1	175.9	-72.9	173.5	177.8	-179.4	-3.7	112.2	R227 N228 R229 L233 G234 T235	R227-R231 WeakPolarHBondContact O-CG 3.47Å; R227-R231 PolarHBondContact O-N 3.49Å; N228-R231 PolarHBondContact O-N 2.97Å; R229-R231 VanDerWaalsContact C-N 3.32Å; R229-R231 PolarHBondContact O-N 3.47Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 3.01Å; R231-G234 PolarHBondContact O-N 3.29Å; R231-T235 PolarHBondContact O-N 3.23Å; R231-T235 VanDerWaalsContact O-N 3.14Å; R231-T235 PolarHBondContact O-OG1 3.14Å
232	K	89.1	Confident	84.3	Confident	149 Å²	149	118.2 Å²	118.2	65%	0.648	58%	0.575	S	S	*	*	H	α-helix	trans	-65.1	-32.6	177.7	-72.5	-179.8	-179.7	-178.9	0	113.3	N228 R229 Q230 T235 K236	N228-K232 WeakPolarHBondContact O-CG 3.37Å; N228-K232 PolarHBondContact O-N 3.15Å; N228-K232 VanDerWaalsContact O-N 3.15Å; R229-K232 PolarHBondContact O-N 3.49Å; Q230-K232 PolarHBondContact O-N 3.43Å; K232-T235 WeakPolarHBondContact CA-OG1 3.46Å; K232-T235 PolarHBondContact O-OG1 3.47Å; K232-K236 WeakPolarHBondContact O-CG 3.46Å; K232-K236 PolarHBondContact O-N 3.04Å
233	L	86.4	Confident	83.8	Confident	110 Å²	110	119.6 Å²	119.6	58%	0.576	57%	0.574	S	S	*	*	H	α-helix	trans	-70.8	-44.4	174.7	-80.4	154.6	0	0	0	111.3	R229 Q230 R231 T235 K236 L237	R229-L233 PolarHBondContact O-N 3.4Å; Q230-L233 PolarHBondContact O-N 3.13Å; R231-L233 VanDerWaalsContact C-N 3.33Å; R231-L233 PolarHBondContact O-N 3.01Å; L233-T235 VanDerWaalsContact C-N 3.3Å; L233-T235 PolarHBondContact O-N 3.38Å; L233-K236 PolarHBondContact O-N 3.36Å; L233-K236 VanDerWaalsContact O-N 3.13Å; L233-L237 PolarHBondContact O-N 3.45Å
234	G	77.8	Confident	83.2	Confident	40 Å²	40	120.1 Å²	120.1	41%	0.412	58%	0.584	S	S	.	*	H	α-helix	trans	-62.8	-33.5	177.8	0	0	0	0	0	113.7	Q230 R231 K236 L237	Q230-G234 PolarHBondContact O-N 2.72Å; R231-G234 PolarHBondContact O-N 3.29Å; G234-K236 VanDerWaalsContact C-N 3.33Å; G234-L237 PolarHBondContact O-N 3.5Å
235	T	70.8	Confident	82.4	Confident	95 Å²	95	124.6 Å²	124.6	58%	0.583	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	-16.9	175.3	15.6	0	0	0	0	114.1	R231 K232 L233	R231-T235 PolarHBondContact O-N 3.23Å; R231-T235 VanDerWaalsContact O-N 3.14Å; R231-T235 PolarHBondContact O-OG1 3.14Å; K232-T235 WeakPolarHBondContact CA-OG1 3.46Å; K232-T235 PolarHBondContact O-OG1 3.47Å; L233-T235 VanDerWaalsContact C-N 3.3Å; L233-T235 PolarHBondContact O-N 3.38Å
236	K	66.1	Low	81.4	Confident	178 Å²	178	128.1 Å²	128.1	77%	0.774	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.6	-11.8	175.6	-77.2	-174	176.7	-168.1	0	113.6	K232 L233 G234	K232-K236 WeakPolarHBondContact O-CG 3.46Å; K232-K236 PolarHBondContact O-N 3.04Å; L233-K236 PolarHBondContact O-N 3.36Å; L233-K236 VanDerWaalsContact O-N 3.13Å; G234-K236 VanDerWaalsContact C-N 3.33Å
237	L	59.7	Low	80.4	Confident	152 Å²	152	134.8 Å²	134.8	80%	0.796	63%	0.633	S	S	*	*			trans	-100.8	2.4	-178.5	-75.7	160.2	0	0	0	112.7	L233 G234	L233-L237 PolarHBondContact O-N 3.45Å; G234-L237 PolarHBondContact O-N 3.5Å
238	Q	51.7	Low	79.2	Confident	222 Å²	222	135.5 Å²	135.5	100%	1.037	65%	0.647	S	S	*	*			trans	-107.2	0	169.9	-71.6	-176.1	-40.8	0	0	109.1

Retrieved 238 of 238 residues in 135.9 ms (Link to these results)

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