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Polyprenal reductase

Plays a key role in early steps of protein N-linked glycosylation by being involved in the conversion of polyprenol into dolichol. Acts as a polyprenal reductase that mediates the reduction of polyprenal into dolichal in a NADP-dependent mechanism. Dolichols are required for the synthesis of dolichol-linked monosaccharides and the oligosaccharide precursor used for N-glycosylation.

AlphaFold DB , UniProt , Accession A0A077ZJS5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 219 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.5	Very low	38.2	Very low	118 Å²	118	92.1 Å²	92.1	58%	0.581	51%	0.507	S	S	*	.				0	153.2	0	-77.5	167.9	173.3	0	0	106.7	S63 T65 H140	M1-S63 PolarHBondContact N-OG 3.33Å; M1-T65 HydrophobicContact CB-CG2 4.1Å; M1-T65 PolarHBondContact N-OG1 3.25Å; M1-T65 VanDerWaalsContact O-CB 3.3Å; M1-T65 WeakPolarHBondContact O-CB 3.5Å; M1-T65 WeakPolarHBondContact O-CG2 3.35Å; M1-T65 PolarHBondContact O-OG1 2.92Å; M1-H140 PolarHBondContact N-NE2 3.11Å
2	A	37.5	Very low	39	Very low	24 Å²	24	91.1 Å²	91.1	20%	0.198	50%	0.499	C	S	.	.			trans	-72.1	147.9	-178.6	0	0	0	0	0	111.7	W4 W198	A2-W4 VanDerWaalsContact CB-NE1 3.27Å; A2-W4 PolarHBondContact O-N 3.34Å; A2-W198 HydrophobicContact CB-CB 3.82Å; A2-W198 HydrophobicContact CB-CD2 3.76Å; A2-W198 HydrophobicContact CB-CG 3.27Å
3	P	33.3	Very low	39.2	Very low	100 Å²	100	97.1 Å²	97.1	65%	0.649	51%	0.511	S	S	*	.			trans	-77.5	114.5	175.1	30.9	-28.8	0	0	0	109
4	W	41.7	Very low	40.3	Very low	106 Å²	106	95.5 Å²	95.5	40%	0.402	50%	0.502	S	S	.	.			trans	-130.3	125.8	179	-76.1	95.5	0	0	0	114.4	A2 I194	A2-W4 VanDerWaalsContact CB-NE1 3.27Å; A2-W4 PolarHBondContact O-N 3.34Å; W4-I194 HydrophobicContact CD2-CG2 3.87Å; W4-I194 HydrophobicContact CG-CG2 4.09Å; W4-I194 HydrophobicContact CH2-CG2 4.48Å; W4-I194 HydrophobicContact CZ2-CG2 3.72Å
5	K	29.1	Very low	40.9	Very low	187 Å²	187	91.3 Å²	91.3	81%	0.813	49%	0.486	S	S	*	.			trans	-72.9	163.7	161	-75.5	-168.7	176.8	-174.6	0	110.3	Q7	K5-Q7 PolarHBondContact O-N 3.21Å
6	P	37.5	Very low	41.3	Very low	105 Å²	105	94.6 Å²	94.6	68%	0.682	49%	0.491	S	S	*	.			trans	-82.8	122.7	-146.1	31.8	-32.3	0	0	0	113.4
7	Q	34.5	Very low	41.9	Very low	139 Å²	139	96.2 Å²	96.2	65%	0.65	50%	0.5	S	S	*	.			trans	-128.9	67.8	161.3	-72.8	-175.3	-23.1	0	0	109.2	K5	K5-Q7 PolarHBondContact O-N 3.21Å
8	Q	35.6	Very low	42.7	Very low	43 Å²	43	93 Å²	93	20%	0.201	48%	0.483	C	S	.	.			trans	-145.6	76.3	167.4	-79.5	-164.3	-22.2	0	0	110.3	H71	Q8-H71 VanDerWaalsContact CD-CD2 3.42Å; Q8-H71 WeakPolarHBondContact CG-CE1 3.09Å; Q8-H71 PolarHBondContact NE2-CD2 3.32Å; Q8-H71 PolarHBondContact NE2-CE1 2.92Å; Q8-H71 PolarHBondContact NE2-NE2 3.14Å; Q8-H71 PolarHBondContact OE1-CE1 2.87Å; Q8-H71 VanDerWaalsContact OE1-CG 3.24Å; Q8-H71 PolarHBondContact OE1-ND1 2.77Å
9	A	39.3	Very low	43.1	Very low	62 Å²	62	91.1 Å²	91.1	51%	0.512	48%	0.478	S	S	.	.	S	Bend	trans	-105.9	-29.3	150.1	0	0	0	0	0	110.5	G11 Y13	A9-G11 PolarHBondContact O-N 2.96Å; A9-Y13 WeakPolarHBondContact O-CD2 3.17Å; A9-Y13 PolarHBondContact O-N 3.26Å
10	V	43.7	Very low	43.2	Very low	105 Å²	105	89.9 Å²	89.9	64%	0.636	47%	0.472	S	S	*	.	H	α-helix	trans	-70.4	-35.4	-174.5	-176.4	0	0	0	0	112.8	I14	V10-I14 HydrophobicContact CG1-CD1 3.6Å; V10-I14 HydrophobicContact CG1-CG1 4.31Å; V10-I14 WeakPolarHBondContact O-CB 3.27Å; V10-I14 VanDerWaalsContact O-CG1 3.24Å; V10-I14 WeakPolarHBondContact O-CG1 3.42Å; V10-I14 PolarHBondContact O-N 2.96Å
11	G	46	Very low	43.7	Very low	24 Å²	24	88.5 Å²	88.5	25%	0.247	47%	0.467	C	S	.	.	H	α-helix	trans	-70.3	-36.5	-179.5	0	0	0	0	0	114.6	A9 A15	A9-G11 PolarHBondContact O-N 2.96Å; G11-A15 VanDerWaalsContact O-CB 3.29Å; G11-A15 WeakPolarHBondContact O-CB 3.5Å; G11-A15 PolarHBondContact O-N 2.91Å
12	I	47.3	Very low	44.2	Very low	80 Å²	80	85.3 Å²	85.3	41%	0.41	45%	0.45	S	S	.	.	H	α-helix	trans	-72.5	-42	178.1	-64.2	171.8	0	0	0	109.9	Y16 F70	I12-Y16 WeakPolarHBondContact O-CB 3.45Å; I12-Y16 PolarHBondContact O-N 2.86Å; I12-F70 HydrophobicContact CD1-CD1 4.36Å
13	Y	41.8	Very low	44.9	Very low	169 Å²	169	92.2 Å²	92.2	66%	0.663	48%	0.479	S	S	*	.	H	α-helix	trans	-65.2	-39.4	176.2	-81.1	-69.9	0	0	0	112	A9 L17	A9-Y13 WeakPolarHBondContact O-CD2 3.17Å; A9-Y13 PolarHBondContact O-N 3.26Å; Y13-L17 VanDerWaalsContact O-CB 3.24Å; Y13-L17 WeakPolarHBondContact O-CB 3.46Å; Y13-L17 PolarHBondContact O-N 3.22Å
14	I	54.1	Low	45.7	Very low	75 Å²	75	97.8 Å²	97.8	39%	0.385	49%	0.488	S	S	.	.	H	α-helix	trans	-69.6	-45.4	177.4	-67.6	171.9	0	0	0	111.3	V10 Y16 L17 I18	V10-I14 HydrophobicContact CG1-CD1 3.6Å; V10-I14 HydrophobicContact CG1-CG1 4.31Å; V10-I14 WeakPolarHBondContact O-CB 3.27Å; V10-I14 VanDerWaalsContact O-CG1 3.24Å; V10-I14 WeakPolarHBondContact O-CG1 3.42Å; V10-I14 PolarHBondContact O-N 2.96Å; I14-Y16 PolarHBondContact O-N 3.3Å; I14-L17 PolarHBondContact O-N 3.09Å; I14-I18 HydrophobicContact CG2-CD1 3.62Å; I14-I18 HydrophobicContact CG2-CG1 4.36Å; I14-I18 WeakPolarHBondContact O-CB 3.07Å; I14-I18 WeakPolarHBondContact O-CD1 3.25Å; I14-I18 WeakPolarHBondContact O-CG1 3.13Å; I14-I18 PolarHBondContact O-N 3.41Å
15	A	49	Very low	46.3	Very low	32 Å²	32	98.4 Å²	98.4	26%	0.264	50%	0.498	S	S	.	.	H	α-helix	trans	-64.8	-39.1	178.1	0	0	0	0	0	112.2	G11 I18 C19	G11-A15 VanDerWaalsContact O-CB 3.29Å; G11-A15 WeakPolarHBondContact O-CB 3.5Å; G11-A15 PolarHBondContact O-N 2.91Å; A15-I18 PolarHBondContact O-N 3.35Å; A15-C19 WeakPolarHBondContact O-CB 3.4Å; A15-C19 PolarHBondContact O-N 3.5Å
16	Y	48.7	Very low	47.5	Very low	144 Å²	144	91.8 Å²	91.8	57%	0.565	47%	0.473	S	S	*	.	H	α-helix	trans	-68.9	-39.6	175	-173.7	-106.3	0	0	0	112.1	I12 I14 I18 C19 N20	I12-Y16 WeakPolarHBondContact O-CB 3.45Å; I12-Y16 PolarHBondContact O-N 2.86Å; I14-Y16 PolarHBondContact O-N 3.3Å; Y16-I18 VanDerWaalsContact C-N 3.33Å; Y16-I18 PolarHBondContact O-N 2.55Å; Y16-C19 PolarHBondContact O-N 2.99Å; Y16-N20 WeakPolarHBondContact CE1-ND2 3.37Å; Y16-N20 WeakPolarHBondContact CE2-ND2 3.26Å; Y16-N20 WeakPolarHBondContact O-CB 3.35Å; Y16-N20 PolarHBondContact O-N 3.1Å; Y16-N20 PolarHBondContact OH-ND2 3.19Å; Y16-N20 VanDerWaalsContact OH-ND2 3.08Å
17	L	51.2	Low	47.8	Very low	122 Å²	122	92.1 Å²	92.1	64%	0.639	48%	0.475	S	S	*	.	H	α-helix	trans	-63.3	-41.4	174.4	-145.9	92.9	0	0	0	110.9	Y13 I14 T21	Y13-L17 VanDerWaalsContact O-CB 3.24Å; Y13-L17 WeakPolarHBondContact O-CB 3.46Å; Y13-L17 PolarHBondContact O-N 3.22Å; I14-L17 PolarHBondContact O-N 3.09Å; L17-T21 WeakPolarHBondContact O-CB 3.31Å; L17-T21 PolarHBondContact O-N 3.08Å; L17-T21 PolarHBondContact O-OG1 2.99Å
18	I	55.4	Low	48.6	Very low	39 Å²	39	89.8 Å²	89.8	20%	0.2	48%	0.48	C	S	.	.	H	α-helix	trans	-65.9	-40.7	176.9	-68.9	166.2	0	0	0	111	I14 A15 Y16 T21 F22 F179	I14-I18 HydrophobicContact CG2-CD1 3.62Å; I14-I18 HydrophobicContact CG2-CG1 4.36Å; I14-I18 WeakPolarHBondContact O-CB 3.07Å; I14-I18 WeakPolarHBondContact O-CD1 3.25Å; I14-I18 WeakPolarHBondContact O-CG1 3.13Å; I14-I18 PolarHBondContact O-N 3.41Å; A15-I18 PolarHBondContact O-N 3.35Å; Y16-I18 VanDerWaalsContact C-N 3.33Å; Y16-I18 PolarHBondContact O-N 2.55Å; I18-T21 WeakPolarHBondContact CA-OG1 3.39Å; I18-T21 PolarHBondContact O-OG1 2.84Å; I18-T21 VanDerWaalsContact O-OG1 3.08Å; I18-F22 PolarHBondContact O-N 3.31Å; I18-F179 HydrophobicContact CG2-CB 3.93Å; I18-F179 HydrophobicContact CG2-CD1 4.38Å; I18-F179 HydrophobicContact CG2-CG 4.17Å
19	C	50.7	Low	49.5	Very low	57 Å²	57	92.1 Å²	92.1	39%	0.385	50%	0.499	S	S	.	.	H	α-helix	trans	-74.9	-38.3	-179.1	-152.6	0	0	0	0	112.5	A15 Y16 F22 E23	A15-C19 WeakPolarHBondContact O-CB 3.4Å; A15-C19 PolarHBondContact O-N 3.5Å; Y16-C19 PolarHBondContact O-N 2.99Å; C19-F22 WeakPolarHBondContact O-CB 3.37Å; C19-F22 PolarHBondContact O-N 3.09Å; C19-F22 VanDerWaalsContact O-N 3.15Å; C19-E23 PolarHBondContact O-N 3.28Å
20	N	45.8	Very low	50.4	Low	67 Å²	67	93.5 Å²	93.5	36%	0.358	50%	0.504	S	S	.	.	H	α-helix	trans	-76.4	-28.5	177.3	-82.1	-7.6	0	0	0	113.5	Y16 F22	Y16-N20 WeakPolarHBondContact CE1-ND2 3.37Å; Y16-N20 WeakPolarHBondContact CE2-ND2 3.26Å; Y16-N20 WeakPolarHBondContact O-CB 3.35Å; Y16-N20 PolarHBondContact O-N 3.1Å; Y16-N20 PolarHBondContact OH-ND2 3.19Å; Y16-N20 VanDerWaalsContact OH-ND2 3.08Å; N20-F22 PolarHBondContact O-N 2.96Å
21	T	54.2	Low	51.4	Low	61 Å²	61	91.5 Å²	91.5	37%	0.374	50%	0.495	S	S	.	.	H	α-helix	trans	-66.4	-27.5	166.7	38.2	0	0	0	0	111.2	L17 I18 I25	L17-T21 WeakPolarHBondContact O-CB 3.31Å; L17-T21 PolarHBondContact O-N 3.08Å; L17-T21 PolarHBondContact O-OG1 2.99Å; I18-T21 WeakPolarHBondContact CA-OG1 3.39Å; I18-T21 PolarHBondContact O-OG1 2.84Å; I18-T21 VanDerWaalsContact O-OG1 3.08Å; T21-I25 HydrophobicContact CG2-CD1 3.99Å; T21-I25 WeakPolarHBondContact O-CB 3.1Å; T21-I25 WeakPolarHBondContact O-CD1 3.44Å; T21-I25 WeakPolarHBondContact O-CG1 3.37Å; T21-I25 PolarHBondContact O-N 3.2Å
22	F	53	Low	52.9	Low	50 Å²	50	94 Å²	94	22%	0.219	50%	0.497	C	S	.	.	H	α-helix	trans	-66.1	-43.2	-179.7	-138.1	-94.2	0	0	0	114	I18 C19 N20 Y24 V26 I88 T176	I18-F22 PolarHBondContact O-N 3.31Å; C19-F22 WeakPolarHBondContact O-CB 3.37Å; C19-F22 PolarHBondContact O-N 3.09Å; C19-F22 VanDerWaalsContact O-N 3.15Å; N20-F22 PolarHBondContact O-N 2.96Å; F22-Y24 VanDerWaalsContact C-N 3.34Å; F22-V26 HydrophobicContact CD1-CG2 4.41Å; F22-V26 WeakPolarHBondContact O-CG2 3.2Å; F22-V26 PolarHBondContact O-N 3.23Å; F22-I88 HydrophobicContact CE1-CD1 4.05Å; F22-I88 HydrophobicContact CE1-CG2 4.39Å; F22-T176 HydrophobicContact CD2-CG2 4.25Å; F22-T176 HydrophobicContact CE1-CG2 3.91Å; F22-T176 VanDerWaalsContact CE2-CB 3.47Å; F22-T176 HydrophobicContact CE2-CG2 3.14Å; F22-T176 HydrophobicContact CZ-CG2 2.95Å
23	E	52.2	Low	54.6	Low	170 Å²	170	90.4 Å²	90.4	79%	0.794	48%	0.479	S	S	*	.	H	α-helix	trans	-73.8	-28.9	-178.5	-162.1	169.4	-165.1	0	0	112	C19	C19-E23 PolarHBondContact O-N 3.28Å
24	Y	49	Very low	56.6	Low	217 Å²	217	84.7 Å²	84.7	85%	0.851	46%	0.46	S	S	*	.	H	α-helix	trans	-88.7	-24.6	179.5	-107.4	-86.6	0	0	0	114.6	F22	F22-Y24 VanDerWaalsContact C-N 3.34Å
25	I	54	Low	58	Low	119 Å²	119	84.5 Å²	84.5	61%	0.61	46%	0.457	S	S	*	.	H	α-helix	trans	-99.8	-14.8	-172.5	-62.5	174.5	0	0	0	113.2	T21 P27	T21-I25 HydrophobicContact CG2-CD1 3.99Å; T21-I25 WeakPolarHBondContact O-CB 3.1Å; T21-I25 WeakPolarHBondContact O-CD1 3.44Å; T21-I25 WeakPolarHBondContact O-CG1 3.37Å; T21-I25 PolarHBondContact O-N 3.2Å; I25-P27 VanDerWaalsContact C-CD 3.42Å; I25-P27 WeakPolarHBondContact O-CD 3.47Å
26	V	53.8	Low	59.9	Low	48 Å²	48	83.6 Å²	83.6	29%	0.291	45%	0.45	S	S	.	.			trans	-101	88.2	-177.6	-172.4	0	0	0	0	111.5	F22	F22-V26 HydrophobicContact CD1-CG2 4.41Å; F22-V26 WeakPolarHBondContact O-CG2 3.2Å; F22-V26 PolarHBondContact O-N 3.23Å
27	P	44.8	Very low	61.9	Low	111 Å²	111	77 Å²	77	72%	0.721	42%	0.424	S	S	*	.			trans	-63.7	151.5	158	28.3	-30.7	0	0	0	109.5	I25	I25-P27 VanDerWaalsContact C-CD 3.42Å; I25-P27 WeakPolarHBondContact O-CD 3.47Å
28	A	51.3	Low	63.7	Low	91 Å²	91	72 Å²	72	75%	0.752	40%	0.399	S	S	*	.	S	Bend	trans	-23.8	132.2	-169.8	0	0	0	0	0	116.5	S30	A28-S30 PolarHBondContact O-N 3.38Å
29	P	54.6	Low	65.3	Low	92 Å²	92	76.6 Å²	76.6	60%	0.597	42%	0.418	S	S	*	.			trans	-65.1	107	-167.7	25.3	-32.2	0	0	0	111.4
30	S	58	Low	67.3	Low	90 Å²	90	75 Å²	75	63%	0.629	41%	0.405	S	S	*	.			trans	-70.9	140.2	152.8	53	0	0	0	0	108.3	A28 R32	A28-S30 PolarHBondContact O-N 3.38Å; S30-R32 PolarHBondContact O-N 2.94Å
31	S	64.4	Low	69.6	Low	63 Å²	63	71.8 Å²	71.8	44%	0.441	39%	0.388	S	S	.	.			trans	-58.7	97.2	177.8	-50.6	0	0	0	0	114.9	P91 S92	S31-P91 VanDerWaalsContact OG-CB 3.25Å; S31-P91 WeakPolarHBondContact OG-CB 3.42Å; S31-P91 WeakPolarHBondContact OG-CD 3.15Å; S31-P91 WeakPolarHBondContact OG-CG 3.49Å; S31-S92 WeakPolarHBondContact OG-CB 3.47Å
32	R	76.9	Confident	71.4	Confident	76 Å²	76	71 Å²	71	29%	0.287	38%	0.384	S	S	.	.			trans	-81	-36.4	174.1	-67.4	-165.3	-72.2	-109.5	1.2	111.4	S30 E89 K173	S30-R32 PolarHBondContact O-N 2.94Å; R32-E89 WeakPolarHBondContact CB-OE2 3.02Å; R32-E89 IonicContact CZ-OE1 2.96Å; R32-E89 IonicContact CZ-OE2 2.72Å; R32-E89 VanDerWaalsContact CZ-OE2 3.29Å; R32-E89 IonicContact NE-OE1 2.76Å; R32-E89 IonicContact NE-OE2 2.79Å; R32-E89 PolarHBondContact NE-OE2 3.19Å; R32-E89 VanDerWaalsContact NH2-CD 3.27Å; R32-E89 IonicContact NH2-OE1 2.64Å; R32-E89 PolarHBondContact NH2-OE1 3.02Å; R32-E89 IonicContact NH2-OE2 2.66Å; R32-E89 PolarHBondContact NH2-OE2 3.03Å; R32-E89 VanDerWaalsContact NH2-OE2 3.15Å; R32-K173 WeakPolarHBondContact O-CD 3.35Å; R32-K173 PolarHBondContact O-NZ 3.18Å
33	L	83.2	Confident	73.3	Confident	5 Å²	5	72.6 Å²	72.6	3%	0.026	39%	0.394	C	S	.	.	S	Bend	trans	-113.6	153.1	175.6	-56.9	-179	0	0	0	111.7	T37 V38 E89 P91 Q170 K173	L33-T37 HydrophobicContact CD1-CG2 4.32Å; L33-T37 HydrophobicContact CD2-CG2 4.12Å; L33-V38 HydrophobicContact CB-CG2 3.83Å; L33-V38 HydrophobicContact CD1-CG2 4.45Å; L33-E89 WeakPolarHBondContact CB-O 3.45Å; L33-E89 HydrophobicContact CD1-CB 3.65Å; L33-E89 HydrophobicContact CG-CB 3.9Å; L33-E89 PolarHBondContact N-O 2.82Å; L33-P91 WeakPolarHBondContact O-CD 3.31Å; L33-Q170 HydrophobicContact CD1-CG 3.96Å; L33-Q170 HydrophobicContact CD2-CB 4.07Å; L33-Q170 HydrophobicContact CD2-CG 4.36Å; L33-K173 HydrophobicContact CD2-CD 3.94Å
34	N	84.5	Confident	75.4	Confident	50 Å²	50	65.1 Å²	65.1	27%	0.267	36%	0.36	S	S	.	.			trans	-89.9	162.9	170.1	67.4	-3.5	0	0	0	110.5	A36 T37 V38	N34-A36 VanDerWaalsContact C-N 3.31Å; N34-A36 PolarHBondContact O-N 3.5Å; N34-T37 PolarHBondContact O-N 2.92Å; N34-T37 VanDerWaalsContact O-N 3.08Å; N34-T37 WeakPolarHBondContact OD1-CB 3.41Å; N34-T37 PolarHBondContact OD1-N 3.34Å; N34-T37 PolarHBondContact OD1-OG1 2.83Å; N34-V38 WeakPolarHBondContact O-CG2 3.36Å; N34-V38 PolarHBondContact O-N 3.48Å; N34-V38 VanDerWaalsContact O-N 3.09Å
35	E	83.6	Confident	77.5	Confident	70 Å²	70	55.4 Å²	55.4	33%	0.327	32%	0.322	S	S	.	.	H	α-helix	trans	-53.6	-44.8	-179.2	-73.3	-173.4	134.3	0	0	113.6	T37 V38 F39 L93 T94	E35-T37 VanDerWaalsContact C-N 3.28Å; E35-T37 PolarHBondContact O-N 2.86Å; E35-V38 PolarHBondContact O-N 3.32Å; E35-F39 WeakPolarHBondContact O-CB 3.44Å; E35-F39 PolarHBondContact O-N 2.85Å; E35-L93 VanDerWaalsContact CD-CA 3.48Å; E35-L93 WeakPolarHBondContact OE1-CA 3.32Å; E35-L93 WeakPolarHBondContact OE1-CD2 3.31Å; E35-L93 VanDerWaalsContact OE1-CG 3.27Å; E35-L93 WeakPolarHBondContact OE1-CG 3.36Å; E35-L93 WeakPolarHBondContact OE2-CA 3.33Å; E35-T94 PolarHBondContact OE2-N 3.37Å
36	A	88	Confident	79.4	Confident	14 Å²	14	56.4 Å²	56.4	12%	0.116	32%	0.322	C	S	.	.	H	α-helix	trans	-59.6	-38.1	-179.7	0	0	0	0	0	112.5	N34 L40 L96	N34-A36 VanDerWaalsContact C-N 3.31Å; N34-A36 PolarHBondContact O-N 3.5Å; A36-L40 VanDerWaalsContact O-CB 3.26Å; A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 PolarHBondContact O-N 2.66Å; A36-L96 HydrophobicContact CB-CD2 4.02Å
37	T	90.6	Very high	81.4	Confident	4 Å²	4	56.1 Å²	56.1	3%	0.025	33%	0.325	C	S	.	.	H	α-helix	trans	-72	-42.2	177.8	-58.8	0	0	0	0	111.6	L33 N34 E35 L40 C41 Q103 C169 Q170	L33-T37 HydrophobicContact CD1-CG2 4.32Å; L33-T37 HydrophobicContact CD2-CG2 4.12Å; N34-T37 PolarHBondContact O-N 2.92Å; N34-T37 VanDerWaalsContact O-N 3.08Å; N34-T37 WeakPolarHBondContact OD1-CB 3.41Å; N34-T37 PolarHBondContact OD1-N 3.34Å; N34-T37 PolarHBondContact OD1-OG1 2.83Å; E35-T37 VanDerWaalsContact C-N 3.28Å; E35-T37 PolarHBondContact O-N 2.86Å; T37-L40 PolarHBondContact O-N 2.9Å; T37-C41 WeakPolarHBondContact O-CB 3.31Å; T37-C41 PolarHBondContact O-N 2.66Å; T37-C41 PolarHBondContact O-SG 2.91Å; T37-Q103 PolarHBondContact OG1-NE2 3.26Å; T37-C169 VanDerWaalsContact CG2-O 3.28Å; T37-C169 WeakPolarHBondContact CG2-O 3.27Å; T37-Q170 HydrophobicContact CG2-CG 4.22Å
38	V	89.1	Confident	83.9	Confident	18 Å²	18	51 Å²	51	11%	0.109	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-50.5	177.3	175.6	0	0	0	0	109.3	L33 N34 E35 L40 C41 C42 I86 L87	L33-V38 HydrophobicContact CB-CG2 3.83Å; L33-V38 HydrophobicContact CD1-CG2 4.45Å; N34-V38 WeakPolarHBondContact O-CG2 3.36Å; N34-V38 PolarHBondContact O-N 3.48Å; N34-V38 VanDerWaalsContact O-N 3.09Å; E35-V38 PolarHBondContact O-N 3.32Å; V38-L40 PolarHBondContact O-N 2.88Å; V38-C41 PolarHBondContact O-N 3.42Å; V38-C42 WeakPolarHBondContact O-CB 3.49Å; V38-C42 PolarHBondContact O-N 3.01Å; V38-C42 PolarHBondContact O-SG 3.45Å; V38-I86 HydrophobicContact CG1-CG2 4.17Å; V38-L87 HydrophobicContact CG1-CD2 4.34Å
39	F	89.8	Confident	85.8	Confident	136 Å²	136	48.1 Å²	48.1	60%	0.596	27%	0.267	S	S	*	.	H	α-helix	trans	-60.7	-44	178.6	-172	-113.7	0	0	0	112.3	E35 C41 C42 I43	E35-F39 WeakPolarHBondContact O-CB 3.44Å; E35-F39 PolarHBondContact O-N 2.85Å; F39-C41 PolarHBondContact O-N 3.45Å; F39-C42 PolarHBondContact O-N 3.19Å; F39-I43 HydrophobicContact CD1-CD1 3.66Å; F39-I43 HydrophobicContact CE1-CD1 3.26Å; F39-I43 HydrophobicContact CE1-CG1 4.33Å; F39-I43 HydrophobicContact CE2-CD1 4.22Å; F39-I43 HydrophobicContact CG-CD1 4.31Å; F39-I43 HydrophobicContact CZ-CD1 3.57Å; F39-I43 HydrophobicContact CZ-CG1 4.29Å; F39-I43 WeakPolarHBondContact O-CG1 3.4Å; F39-I43 PolarHBondContact O-N 3.44Å
40	L	92.6	Very high	87.7	Confident	23 Å²	23	48.3 Å²	48.3	12%	0.12	26%	0.263	C	S	.	.	H	α-helix	trans	-57.1	-50.4	173.4	175.6	63.6	0	0	0	111.4	A36 T37 V38 C42 I43 L44 L99 Q103 V107 C169	A36-L40 VanDerWaalsContact O-CB 3.26Å; A36-L40 WeakPolarHBondContact O-CB 3.36Å; A36-L40 PolarHBondContact O-N 2.66Å; T37-L40 PolarHBondContact O-N 2.9Å; V38-L40 PolarHBondContact O-N 2.88Å; L40-C42 VanDerWaalsContact C-N 3.34Å; L40-C42 PolarHBondContact O-N 3.24Å; L40-I43 PolarHBondContact O-N 3.02Å; L40-L44 HydrophobicContact CD1-CD1 4.18Å; L40-L44 HydrophobicContact CD1-CG 4.2Å; L40-L44 HydrophobicContact CG-CD1 4.15Å; L40-L44 VanDerWaalsContact O-CG 3.31Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 3.3Å; L40-L99 HydrophobicContact CD2-CD2 4Å; L40-Q103 HydrophobicContact CD2-CB 4.16Å; L40-Q103 HydrophobicContact CD2-CG 4.24Å; L40-V107 HydrophobicContact CD1-CG2 3.88Å; L40-V107 HydrophobicContact CD2-CG2 4.26Å; L40-C169 HydrophobicContact CD2-CB 4Å
41	C	93.5	Very high	89.5	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.1	-39.1	-179.5	-64.9	0	0	0	0	111.8	T37 V38 F39 L44 F45 I86 I166 Q170	T37-C41 WeakPolarHBondContact O-CB 3.31Å; T37-C41 PolarHBondContact O-N 2.66Å; T37-C41 PolarHBondContact O-SG 2.91Å; V38-C41 PolarHBondContact O-N 3.42Å; F39-C41 PolarHBondContact O-N 3.45Å; C41-L44 PolarHBondContact O-N 2.94Å; C41-F45 WeakPolarHBondContact O-CB 3.31Å; C41-F45 PolarHBondContact O-N 3.13Å; C41-I86 HydrophobicContact CB-CD1 3.99Å; C41-I86 HydrophobicContact CB-CG1 4.36Å; C41-I86 HydrophobicContact CB-CG2 3.76Å; C41-I166 HydrophobicContact CB-CG2 4.07Å; C41-Q170 VanDerWaalsContact SG-CG 3.56Å
42	C	91.7	Very high	90.7	Very high	43 Å²	43	43.7 Å²	43.7	29%	0.291	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-44.3	173.9	-71.2	0	0	0	0	111.9	V38 F39 L40 F45 F46	V38-C42 WeakPolarHBondContact O-CB 3.49Å; V38-C42 PolarHBondContact O-N 3.01Å; V38-C42 PolarHBondContact O-SG 3.45Å; F39-C42 PolarHBondContact O-N 3.19Å; L40-C42 VanDerWaalsContact C-N 3.34Å; L40-C42 PolarHBondContact O-N 3.24Å; C42-F45 PolarHBondContact O-N 3.16Å; C42-F46 WeakPolarHBondContact O-CB 3.25Å; C42-F46 PolarHBondContact O-N 3.46Å
43	I	93.3	Very high	91.4	Very high	84 Å²	84	46.3 Å²	46.3	43%	0.431	24%	0.236	S	C	.	.	H	α-helix	trans	-62	-47.5	175.8	-73.9	171.5	0	0	0	110.9	F39 L40 F45 F46 A47	F39-I43 HydrophobicContact CD1-CD1 3.66Å; F39-I43 HydrophobicContact CE1-CD1 3.26Å; F39-I43 HydrophobicContact CE1-CG1 4.33Å; F39-I43 HydrophobicContact CE2-CD1 4.22Å; F39-I43 HydrophobicContact CG-CD1 4.31Å; F39-I43 HydrophobicContact CZ-CD1 3.57Å; F39-I43 HydrophobicContact CZ-CG1 4.29Å; F39-I43 WeakPolarHBondContact O-CG1 3.4Å; F39-I43 PolarHBondContact O-N 3.44Å; L40-I43 PolarHBondContact O-N 3.02Å; I43-F45 PolarHBondContact O-N 3.29Å; I43-F46 PolarHBondContact O-N 3.33Å; I43-A47 WeakPolarHBondContact O-CB 3.4Å; I43-A47 PolarHBondContact O-N 2.97Å
44	L	96.7	Very high	91.9	Very high	13 Å²	13	51 Å²	51	7%	0.068	26%	0.256	C	S	.	.	H	α-helix	trans	-62.1	-45.3	179.8	-67.3	177.1	0	0	0	111.2	L40 C41 A47 Q48 V107 F110 I166 C169	L40-L44 HydrophobicContact CD1-CD1 4.18Å; L40-L44 HydrophobicContact CD1-CG 4.2Å; L40-L44 HydrophobicContact CG-CD1 4.15Å; L40-L44 VanDerWaalsContact O-CG 3.31Å; L40-L44 WeakPolarHBondContact O-CG 3.28Å; L40-L44 PolarHBondContact O-N 3.3Å; C41-L44 PolarHBondContact O-N 2.94Å; L44-A47 PolarHBondContact O-N 3.25Å; L44-Q48 WeakPolarHBondContact O-CB 3.35Å; L44-Q48 PolarHBondContact O-N 3.12Å; L44-V107 HydrophobicContact CD1-CG2 4.26Å; L44-V107 HydrophobicContact CD2-CG2 4.5Å; L44-F110 HydrophobicContact CB-CD2 4.24Å; L44-F110 HydrophobicContact CB-CE2 4.04Å; L44-F110 HydrophobicContact CB-CZ 4.23Å; L44-F110 HydrophobicContact CD2-CD1 3.69Å; L44-F110 HydrophobicContact CD2-CD2 4.43Å; L44-F110 HydrophobicContact CD2-CE1 3.98Å; L44-F110 HydrophobicContact CD2-CG 3.96Å; L44-F110 HydrophobicContact CD2-CZ 4.47Å; L44-F110 WeakPolarHBondContact O-CZ 3.45Å; L44-I166 HydrophobicContact CB-CD1 4.5Å; L44-I166 HydrophobicContact CB-CG1 4.27Å; L44-I166 HydrophobicContact CD1-CG1 4.46Å; L44-C169 HydrophobicContact CD1-CB 4.4Å; L44-C169 VanDerWaalsContact CD1-SG 3.56Å
45	F	94.1	Very high	92.3	Very high	13 Å²	13	48.7 Å²	48.7	6%	0.057	24%	0.244	C	C	.	.	H	α-helix	trans	-68.9	-35.3	178.5	-169.9	-105.6	0	0	0	112.6	C41 C42 I43 Q48 A49 Y79 V82 P83 I86 Y163 I166 W177	C41-F45 WeakPolarHBondContact O-CB 3.31Å; C41-F45 PolarHBondContact O-N 3.13Å; C42-F45 PolarHBondContact O-N 3.16Å; I43-F45 PolarHBondContact O-N 3.29Å; F45-Q48 WeakPolarHBondContact O-CB 3.31Å; F45-Q48 PolarHBondContact O-N 3.42Å; F45-A49 WeakPolarHBondContact O-CB 3.44Å; F45-A49 PolarHBondContact O-N 3.23Å; F45-Y79 HydrophobicContact CZ-CD1 4.47Å; F45-V82 HydrophobicContact CD1-CG1 4.28Å; F45-V82 HydrophobicContact CD2-CG1 3.77Å; F45-V82 HydrophobicContact CE1-CB 4.18Å; F45-V82 HydrophobicContact CE1-CG1 3.9Å; F45-V82 HydrophobicContact CE2-CB 4.12Å; F45-V82 HydrophobicContact CE2-CG1 3.34Å; F45-V82 HydrophobicContact CG-CG1 4.22Å; F45-V82 HydrophobicContact CZ-CB 3.72Å; F45-V82 HydrophobicContact CZ-CG1 3.4Å; F45-V82 VanDerWaalsContact CZ-CG1 3.4Å; F45-P83 HydrophobicContact CD1-CG 3.97Å; F45-P83 HydrophobicContact CE1-CG 3.63Å; F45-I86 HydrophobicContact CB-CD1 4.21Å; F45-Y163 HydrophobicContact CE2-CE1 4.33Å; F45-I166 HydrophobicContact CB-CD1 4.4Å; F45-I166 HydrophobicContact CD2-CD1 4.34Å; F45-W177 HydrophobicContact CD2-CH2 4.44Å
46	F	93.8	Very high	92.6	Very high	140 Å²	140	47.9 Å²	47.9	61%	0.614	25%	0.246	S	C	*	.	H	α-helix	trans	-63.8	-44.4	172.3	-179.2	-104.9	0	0	0	111.4	C42 I43 Q48 A49 L50	C42-F46 WeakPolarHBondContact O-CB 3.25Å; C42-F46 PolarHBondContact O-N 3.46Å; I43-F46 PolarHBondContact O-N 3.33Å; F46-Q48 VanDerWaalsContact C-N 3.31Å; F46-Q48 PolarHBondContact O-N 2.87Å; F46-A49 PolarHBondContact O-N 3.43Å; F46-L50 HydrophobicContact CE1-CD2 4.4Å; F46-L50 WeakPolarHBondContact O-CB 3.46Å; F46-L50 PolarHBondContact O-N 3.12Å
47	A	95.9	Very high	92.8	Very high	43 Å²	43	49.8 Å²	49.8	36%	0.355	26%	0.262	S	S	.	.	H	α-helix	trans	-61.4	-39.6	174.7	0	0	0	0	0	111.9	I43 L44 R51 F110	I43-A47 WeakPolarHBondContact O-CB 3.4Å; I43-A47 PolarHBondContact O-N 2.97Å; L44-A47 PolarHBondContact O-N 3.25Å; A47-R51 WeakPolarHBondContact O-CB 3.32Å; A47-R51 PolarHBondContact O-N 2.88Å; A47-F110 HydrophobicContact CB-CZ 4.5Å
48	Q	95.8	Very high	92.8	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.019	29%	0.288	C	S	.	.	H	α-helix	trans	-57.1	-54.7	172.1	175.3	67.2	2.6	0	0	111	L44 F45 F46 L50 R51 R52 F110 E159 I162	L44-Q48 WeakPolarHBondContact O-CB 3.35Å; L44-Q48 PolarHBondContact O-N 3.12Å; F45-Q48 WeakPolarHBondContact O-CB 3.31Å; F45-Q48 PolarHBondContact O-N 3.42Å; F46-Q48 VanDerWaalsContact C-N 3.31Å; F46-Q48 PolarHBondContact O-N 2.87Å; Q48-L50 PolarHBondContact O-N 3.48Å; Q48-R51 PolarHBondContact O-N 3.37Å; Q48-R52 WeakPolarHBondContact O-CB 3.43Å; Q48-R52 VanDerWaalsContact O-CG 3.24Å; Q48-R52 WeakPolarHBondContact O-CG 3.37Å; Q48-R52 PolarHBondContact O-N 3.46Å; Q48-F110 HydrophobicContact CB-CE2 4.2Å; Q48-F110 HydrophobicContact CB-CZ 4.08Å; Q48-E159 PolarHBondContact NE2-OE1 2.9Å; Q48-E159 PolarHBondContact NE2-OE2 3.38Å; Q48-I162 HydrophobicContact CG-CG2 4.28Å
49	A	92.8	Very high	92.9	Very high	29 Å²	29	56.4 Å²	56.4	24%	0.24	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-43.1	-178.4	0	0	0	0	0	112	F45 F46 R51 R52 F53	F45-A49 WeakPolarHBondContact O-CB 3.44Å; F45-A49 PolarHBondContact O-N 3.23Å; F46-A49 PolarHBondContact O-N 3.43Å; A49-R51 PolarHBondContact O-N 2.93Å; A49-R52 PolarHBondContact O-N 2.88Å; A49-F53 WeakPolarHBondContact O-CB 3.44Å; A49-F53 PolarHBondContact O-N 3.45Å
50	L	93.4	Very high	93	Very high	96 Å²	96	51.3 Å²	51.3	50%	0.503	27%	0.271	S	S	.	.	H	α-helix	trans	-63	-43.8	178.5	-176.3	62.1	0	0	0	111.9	F46 Q48 F53 F54	F46-L50 HydrophobicContact CE1-CD2 4.4Å; F46-L50 WeakPolarHBondContact O-CB 3.46Å; F46-L50 PolarHBondContact O-N 3.12Å; Q48-L50 PolarHBondContact O-N 3.48Å; L50-F53 WeakPolarHBondContact O-CB 3.27Å; L50-F53 PolarHBondContact O-N 3.29Å; L50-F54 WeakPolarHBondContact O-CB 2.82Å; L50-F54 PolarHBondContact O-N 2.93Å
51	R	95.1	Very high	92.8	Very high	37 Å²	37	50.9 Å²	50.9	14%	0.14	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-44.6	175.8	178.1	-173.5	59.2	120.2	14.2	111.7	A47 Q48 A49 F53 F54 E55 S114 Q117	A47-R51 WeakPolarHBondContact O-CB 3.32Å; A47-R51 PolarHBondContact O-N 2.88Å; Q48-R51 PolarHBondContact O-N 3.37Å; A49-R51 PolarHBondContact O-N 2.93Å; R51-F53 VanDerWaalsContact C-N 3.31Å; R51-F53 PolarHBondContact O-N 3.45Å; R51-F54 PolarHBondContact O-N 3.4Å; R51-E55 WeakPolarHBondContact O-CG 3.49Å; R51-E55 PolarHBondContact O-N 3.28Å; R51-S114 PolarHBondContact NH1-O 3.29Å; R51-Q117 VanDerWaalsContact CZ-OE1 3.31Å
52	R	90.9	Very high	92.5	Very high	20 Å²	20	56.8 Å²	56.8	8%	0.075	29%	0.293	C	S	.	.	H	α-helix	trans	-60.4	-41.5	176	-71.5	-68.3	98.1	144.1	-1.3	112	Q48 A49 E55 S56 Q117 F121 E159	Q48-R52 WeakPolarHBondContact O-CB 3.43Å; Q48-R52 VanDerWaalsContact O-CG 3.24Å; Q48-R52 WeakPolarHBondContact O-CG 3.37Å; Q48-R52 PolarHBondContact O-N 3.46Å; A49-R52 PolarHBondContact O-N 2.88Å; R52-E55 IonicContact CZ-OE2 3.93Å; R52-E55 IonicContact NE-OE2 3.48Å; R52-E55 PolarHBondContact NE-OE2 3.39Å; R52-E55 VanDerWaalsContact NH2-CD 3.34Å; R52-E55 IonicContact NH2-OE1 2.74Å; R52-E55 PolarHBondContact NH2-OE1 3.33Å; R52-E55 IonicContact NH2-OE2 3.25Å; R52-E55 PolarHBondContact NH2-OE2 2.62Å; R52-S56 WeakPolarHBondContact O-CB 3.5Å; R52-S56 PolarHBondContact O-N 3.19Å; R52-S56 PolarHBondContact O-OG 3.3Å; R52-Q117 VanDerWaalsContact CZ-CD 3.4Å; R52-Q117 VanDerWaalsContact NH2-CG 3.35Å; R52-F121 VanDerWaalsContact CZ-CE2 3.43Å; R52-F121 VanDerWaalsContact NH1-CE2 3.32Å; R52-E159 IonicContact CZ-OE2 3.15Å; R52-E159 IonicContact NH1-OE2 3.86Å; R52-E159 PolarHBondContact NH1-OE2 3.47Å
53	F	91.7	Very high	92.3	Very high	131 Å²	131	55.6 Å²	55.6	58%	0.575	29%	0.285	S	S	*	.	H	α-helix	trans	-61	-49.8	173.6	172.4	-100.5	0	0	0	111.1	A49 L50 R51 E55 S56 A57	A49-F53 WeakPolarHBondContact O-CB 3.44Å; A49-F53 PolarHBondContact O-N 3.45Å; L50-F53 WeakPolarHBondContact O-CB 3.27Å; L50-F53 PolarHBondContact O-N 3.29Å; R51-F53 VanDerWaalsContact C-N 3.31Å; R51-F53 PolarHBondContact O-N 3.45Å; F53-E55 PolarHBondContact O-N 3.04Å; F53-S56 PolarHBondContact O-N 3.05Å; F53-S56 VanDerWaalsContact O-N 3.16Å; F53-A57 HydrophobicContact CE1-CB 4.49Å; F53-A57 HydrophobicContact CZ-CB 4.31Å; F53-A57 VanDerWaalsContact O-CB 3.31Å; F53-A57 WeakPolarHBondContact O-CB 3.34Å; F53-A57 PolarHBondContact O-N 3.3Å
54	F	93.2	Very high	91.7	Very high	102 Å²	102	59.2 Å²	59.2	45%	0.447	31%	0.305	S	S	.	.	H	α-helix	trans	-57.3	-48.1	178.1	174.6	-93.9	0	0	0	112.3	L50 R51 S56 A57 F58	L50-F54 WeakPolarHBondContact O-CB 2.82Å; L50-F54 PolarHBondContact O-N 2.93Å; R51-F54 PolarHBondContact O-N 3.4Å; F54-S56 VanDerWaalsContact C-N 3.28Å; F54-S56 PolarHBondContact O-N 2.76Å; F54-A57 PolarHBondContact O-N 2.89Å; F54-F58 AromaticContact CD2-CD2 3.4Å; F54-F58 HydrophobicContact CD2-CD2 3.4Å; F54-F58 VanDerWaalsContact CD2-CD2 3.4Å; F54-F58 AromaticContact CD2-CE2 3.96Å; F54-F58 HydrophobicContact CD2-CE2 3.96Å; F54-F58 HydrophobicContact CD2-CG 4.34Å; F54-F58 HydrophobicContact CE2-CB 4.28Å; F54-F58 AromaticContact CE2-CD2 3.69Å; F54-F58 HydrophobicContact CE2-CD2 3.69Å; F54-F58 HydrophobicContact CE2-CE2 4.4Å; F54-F58 HydrophobicContact CE2-CG 4.23Å; F54-F58 HydrophobicContact CG-CD2 4.14Å; F54-F58 HydrophobicContact CZ-CB 4.48Å; F54-F58 WeakPolarHBondContact O-CD2 3.15Å; F54-F58 PolarHBondContact O-N 2.72Å
55	E	92.6	Very high	90.9	Very high	2 Å²	2	60.7 Å²	60.7	1%	0.009	32%	0.315	C	S	.	.	I	π-helix	trans	-63.6	-34.3	178.2	-70.8	165	171.8	0	0	112.5	R51 R52 F53 L59 S60 H118	R51-E55 WeakPolarHBondContact O-CG 3.49Å; R51-E55 PolarHBondContact O-N 3.28Å; R52-E55 IonicContact CZ-OE2 3.93Å; R52-E55 IonicContact NE-OE2 3.48Å; R52-E55 PolarHBondContact NE-OE2 3.39Å; R52-E55 VanDerWaalsContact NH2-CD 3.34Å; R52-E55 IonicContact NH2-OE1 2.74Å; R52-E55 PolarHBondContact NH2-OE1 3.33Å; R52-E55 IonicContact NH2-OE2 3.25Å; R52-E55 PolarHBondContact NH2-OE2 2.62Å; F53-E55 PolarHBondContact O-N 3.04Å; E55-L59 HydrophobicContact CB-CB 4.49Å; E55-L59 HydrophobicContact CG-CD2 4.2Å; E55-L59 CarbonylContact O-C 3.49Å; E55-L59 WeakPolarHBondContact O-CB 3.49Å; E55-L59 PolarHBondContact O-N 3.15Å; E55-S60 VanDerWaalsContact O-CB 3.31Å; E55-S60 WeakPolarHBondContact O-CB 3.29Å; E55-S60 PolarHBondContact O-N 3.01Å; E55-S60 PolarHBondContact O-OG 3.36Å; E55-H118 WeakPolarHBondContact OE1-CA 3.39Å; E55-H118 WeakPolarHBondContact OE1-CB 3.48Å; E55-H118 IonicContact OE1-CE1 3.58Å; E55-H118 IonicContact OE1-CG 2.93Å; E55-H118 IonicContact OE1-ND1 3.56Å; E55-H118 PolarHBondContact OE1-ND1 3.09Å
56	S	91	Very high	90.4	Very high	54 Å²	54	69.6 Å²	69.6	38%	0.378	35%	0.354	S	S	.	.	I	π-helix	trans	-74.5	-42.2	177.5	-57.7	0	0	0	0	111.7	R52 F53 F54 Y62	R52-S56 WeakPolarHBondContact O-CB 3.5Å; R52-S56 PolarHBondContact O-N 3.19Å; R52-S56 PolarHBondContact O-OG 3.3Å; F53-S56 PolarHBondContact O-N 3.05Å; F53-S56 VanDerWaalsContact O-N 3.16Å; F54-S56 VanDerWaalsContact C-N 3.28Å; F54-S56 PolarHBondContact O-N 2.76Å; S56-Y62 WeakPolarHBondContact CA-OH 3.47Å; S56-Y62 WeakPolarHBondContact CB-OH 3.49Å; S56-Y62 PolarHBondContact O-OH 2.86Å; S56-Y62 VanDerWaalsContact O-OH 3.12Å
57	A	91.1	Very high	89.9	Confident	54 Å²	54	68 Å²	68	45%	0.446	35%	0.349	S	S	.	.	I	π-helix	trans	-75.5	-39.5	-175.3	0	0	0	0	0	113	F53 F54	F53-A57 HydrophobicContact CE1-CB 4.49Å; F53-A57 HydrophobicContact CZ-CB 4.31Å; F53-A57 VanDerWaalsContact O-CB 3.31Å; F53-A57 WeakPolarHBondContact O-CB 3.34Å; F53-A57 PolarHBondContact O-N 3.3Å; F54-A57 PolarHBondContact O-N 2.89Å
58	F	91.4	Very high	89.3	Confident	131 Å²	131	68.5 Å²	68.5	58%	0.575	35%	0.346	S	S	*	.	I	π-helix	trans	-116.6	-33.2	-168.8	-57	-70.7	0	0	0	113.9	F54 R129	F54-F58 AromaticContact CD2-CD2 3.4Å; F54-F58 HydrophobicContact CD2-CD2 3.4Å; F54-F58 VanDerWaalsContact CD2-CD2 3.4Å; F54-F58 AromaticContact CD2-CE2 3.96Å; F54-F58 HydrophobicContact CD2-CE2 3.96Å; F54-F58 HydrophobicContact CD2-CG 4.34Å; F54-F58 HydrophobicContact CE2-CB 4.28Å; F54-F58 AromaticContact CE2-CD2 3.69Å; F54-F58 HydrophobicContact CE2-CD2 3.69Å; F54-F58 HydrophobicContact CE2-CE2 4.4Å; F54-F58 HydrophobicContact CE2-CG 4.23Å; F54-F58 HydrophobicContact CG-CD2 4.14Å; F54-F58 HydrophobicContact CZ-CB 4.48Å; F54-F58 WeakPolarHBondContact O-CD2 3.15Å; F54-F58 PolarHBondContact O-N 2.72Å; F58-R129 PolarHBondContact O-NH2 3.13Å
59	L	91.7	Very high	89.1	Confident	30 Å²	30	73.3 Å²	73.3	16%	0.157	37%	0.371	C	S	.	.	I	π-helix	trans	-92.2	-45.6	-173.4	-170.6	61.4	0	0	0	112	E55 V61 F121 R122 S125 R129	E55-L59 HydrophobicContact CB-CB 4.49Å; E55-L59 HydrophobicContact CG-CD2 4.2Å; E55-L59 CarbonylContact O-C 3.49Å; E55-L59 WeakPolarHBondContact O-CB 3.49Å; E55-L59 PolarHBondContact O-N 3.15Å; L59-V61 PolarHBondContact O-N 3.5Å; L59-F121 HydrophobicContact CD2-CB 3.82Å; L59-R122 HydrophobicContact CD1-CG 4.37Å; L59-R122 HydrophobicContact CD2-CG 3.87Å; L59-S125 WeakPolarHBondContact CD1-OG 3.39Å; L59-S125 WeakPolarHBondContact O-CB 2.86Å; L59-R129 PolarHBondContact O-NE 3.35Å
60	S	90.2	Very high	88.8	Confident	28 Å²	28	77.6 Å²	77.6	20%	0.196	38%	0.384	C	S	.	.			trans	-67.2	130.2	-170.3	-66.7	0	0	0	0	112	E55 Y62	E55-S60 VanDerWaalsContact O-CB 3.31Å; E55-S60 WeakPolarHBondContact O-CB 3.29Å; E55-S60 PolarHBondContact O-N 3.01Å; E55-S60 PolarHBondContact O-OG 3.36Å; S60-Y62 WeakPolarHBondContact CB-OH 3.34Å
61	V	90.1	Very high	88.3	Confident	15 Å²	15	76.4 Å²	76.4	9%	0.091	38%	0.376	C	S	.	.			trans	-105.5	124.3	166.5	179.2	0	0	0	0	106.9	L59 R128 R129 V135	L59-V61 PolarHBondContact O-N 3.5Å; V61-R128 HydrophobicContact CB-CB 3.92Å; V61-R128 HydrophobicContact CG1-CB 3.92Å; V61-R128 HydrophobicContact CG2-CB 4.18Å; V61-R128 PolarHBondContact O-NH1 2.91Å; V61-R129 HydrophobicContact CG2-CG 3.82Å; V61-V135 HydrophobicContact CG1-CG1 3.59Å; V61-V135 HydrophobicContact CG1-CG2 4.13Å; V61-V135 HydrophobicContact CG2-CG2 3.89Å
62	Y	86.5	Confident	87.8	Confident	123 Å²	123	80.5 Å²	80.5	48%	0.482	39%	0.392	S	S	.	.			trans	-95	151.6	-176.7	-60.9	-78.1	0	0	0	111	S56 S60 H138	S56-Y62 WeakPolarHBondContact CA-OH 3.47Å; S56-Y62 WeakPolarHBondContact CB-OH 3.49Å; S56-Y62 PolarHBondContact O-OH 2.86Å; S56-Y62 VanDerWaalsContact O-OH 3.12Å; S60-Y62 WeakPolarHBondContact CB-OH 3.34Å; Y62-H138 PolarHBondContact O-ND1 3.34Å
63	S	86.4	Confident	87.7	Confident	19 Å²	19	83.7 Å²	83.7	13%	0.133	41%	0.411	C	S	.	.			trans	-98.8	171.8	170.8	64.7	0	0	0	0	109.6	M1 T65 H138 H140	M1-S63 PolarHBondContact N-OG 3.33Å; S63-T65 PolarHBondContact O-N 2.85Å; S63-T65 PolarHBondContact OG-OG1 2.98Å; S63-H138 WeakPolarHBondContact CB-O 3.18Å; S63-H140 VanDerWaalsContact CB-CE1 3.43Å; S63-H140 WeakPolarHBondContact CB-CE1 3.24Å; S63-H140 PolarHBondContact OG-CE1 3.46Å; S63-H140 PolarHBondContact OG-NE2 3.21Å
64	D	82.2	Confident	87.5	Confident	159 Å²	159	78.5 Å²	78.5	85%	0.85	39%	0.389	S	S	*	.	S	Bend	trans	-69.3	23.5	-179.5	-60.7	-40.1	0	0	0	115.4
65	T	80.3	Confident	87.1	Confident	45 Å²	45	75 Å²	75	28%	0.276	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-96.7	128.8	-177.6	-39	0	0	0	0	110.5	M1 S63	M1-T65 HydrophobicContact CB-CG2 4.1Å; M1-T65 PolarHBondContact N-OG1 3.25Å; M1-T65 VanDerWaalsContact O-CB 3.3Å; M1-T65 WeakPolarHBondContact O-CB 3.5Å; M1-T65 WeakPolarHBondContact O-CG2 3.35Å; M1-T65 PolarHBondContact O-OG1 2.92Å; S63-T65 PolarHBondContact O-N 2.85Å; S63-T65 PolarHBondContact OG-OG1 2.98Å
66	K	83.1	Confident	86.9	Confident	200 Å²	200	78.9 Å²	78.9	87%	0.87	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-89.9	137.9	177	-61.3	-174.3	-179.8	-178.7	0	111.4
67	M	81.8	Confident	86.9	Confident	105 Å²	105	81.1 Å²	81.1	52%	0.517	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-79.7	143.7	171.9	-172.8	163	67.8	0	0	110.4	H71 Y72	M67-H71 HydrophobicContact CG-CB 4.06Å; M67-H71 HydrophobicContact SD-CB 4.22Å; M67-Y72 HydrophobicContact CE-CD2 3.63Å; M67-Y72 HydrophobicContact CE-CG 4.17Å
68	N	84.7	Confident	86.7	Confident	55 Å²	55	79.9 Å²	79.9	29%	0.294	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-63.3	136.5	174.4	-176.3	-47.3	0	0	0	110.5	F70 H71 Y72	N68-F70 VanDerWaalsContact C-N 3.26Å; N68-F70 PolarHBondContact O-N 3.39Å; N68-F70 WeakPolarHBondContact OD1-CB 3.49Å; N68-F70 WeakPolarHBondContact OD1-CD2 3.08Å; N68-F70 PolarHBondContact OD1-N 2.97Å; N68-H71 PolarHBondContact O-N 3.43Å; N68-H71 VanDerWaalsContact O-N 3.1Å; N68-Y72 PolarHBondContact O-N 3.03Å
69	I	90.1	Very high	86.4	Confident	104 Å²	104	79 Å²	79	53%	0.533	39%	0.387	S	S	.	.	H	α-helix	trans	-56.7	-35.5	-179.2	-168.8	61.7	0	0	0	113.2	Y72 L73	I69-Y72 HydrophobicContact CD1-CD1 4.25Å; I69-Y72 WeakPolarHBondContact O-CB 3.36Å; I69-Y72 PolarHBondContact O-N 3.33Å; I69-L73 HydrophobicContact CG1-CD1 4.32Å; I69-L73 HydrophobicContact CG1-CG 4.46Å; I69-L73 WeakPolarHBondContact O-CG 3.25Å; I69-L73 PolarHBondContact O-N 2.88Å
70	F	87.9	Confident	86.1	Confident	119 Å²	119	81.9 Å²	81.9	52%	0.522	41%	0.405	S	S	.	.	H	α-helix	trans	-66.5	-40.1	177.8	-67.8	-72.2	0	0	0	112.1	I12 N68 Y72 L73 L74	I12-F70 HydrophobicContact CD1-CD1 4.36Å; N68-F70 VanDerWaalsContact C-N 3.26Å; N68-F70 PolarHBondContact O-N 3.39Å; N68-F70 WeakPolarHBondContact OD1-CB 3.49Å; N68-F70 WeakPolarHBondContact OD1-CD2 3.08Å; N68-F70 PolarHBondContact OD1-N 2.97Å; F70-Y72 VanDerWaalsContact C-N 3.32Å; F70-L73 PolarHBondContact O-N 3.4Å; F70-L74 VanDerWaalsContact O-CB 3.3Å; F70-L74 WeakPolarHBondContact O-CB 3.25Å; F70-L74 PolarHBondContact O-N 3.17Å
71	H	82.3	Confident	86	Confident	71 Å²	71	84.7 Å²	84.7	33%	0.329	42%	0.416	S	S	.	.	H	α-helix	trans	-68.3	-36.7	175.3	-69.9	67.3	0	0	0	111	Q8 M67 N68 L74 G75	Q8-H71 VanDerWaalsContact CD-CD2 3.42Å; Q8-H71 WeakPolarHBondContact CG-CE1 3.09Å; Q8-H71 PolarHBondContact NE2-CD2 3.32Å; Q8-H71 PolarHBondContact NE2-CE1 2.92Å; Q8-H71 PolarHBondContact NE2-NE2 3.14Å; Q8-H71 PolarHBondContact OE1-CE1 2.87Å; Q8-H71 VanDerWaalsContact OE1-CG 3.24Å; Q8-H71 PolarHBondContact OE1-ND1 2.77Å; M67-H71 HydrophobicContact CG-CB 4.06Å; M67-H71 HydrophobicContact SD-CB 4.22Å; N68-H71 PolarHBondContact O-N 3.43Å; N68-H71 VanDerWaalsContact O-N 3.1Å; H71-L74 PolarHBondContact O-N 3.49Å; H71-G75 PolarHBondContact O-N 3.02Å
72	Y	83.9	Confident	85.9	Confident	124 Å²	124	84 Å²	84	49%	0.486	41%	0.412	S	S	.	.	H	α-helix	trans	-60.7	-51.6	174.6	-177.8	-101.2	0	0	0	111.4	M67 N68 I69 F70 L74 G75 I76	M67-Y72 HydrophobicContact CE-CD2 3.63Å; M67-Y72 HydrophobicContact CE-CG 4.17Å; N68-Y72 PolarHBondContact O-N 3.03Å; I69-Y72 HydrophobicContact CD1-CD1 4.25Å; I69-Y72 WeakPolarHBondContact O-CB 3.36Å; I69-Y72 PolarHBondContact O-N 3.33Å; F70-Y72 VanDerWaalsContact C-N 3.32Å; Y72-L74 VanDerWaalsContact C-N 3.33Å; Y72-L74 PolarHBondContact O-N 3.11Å; Y72-G75 PolarHBondContact O-N 3.47Å; Y72-G75 VanDerWaalsContact O-N 3.13Å; Y72-I76 HydrophobicContact CE1-CG1 4.14Å; Y72-I76 PolarHBondContact O-N 3.4Å; Y72-I76 VanDerWaalsContact O-N 3.09Å
73	L	89.7	Confident	86	Confident	87 Å²	87	80.1 Å²	80.1	46%	0.455	40%	0.402	S	S	.	.	H	α-helix	trans	-61.8	-40.7	177.4	-68.6	174.6	0	0	0	112	I69 F70 G75 I76 I77	I69-L73 HydrophobicContact CG1-CD1 4.32Å; I69-L73 HydrophobicContact CG1-CG 4.46Å; I69-L73 WeakPolarHBondContact O-CG 3.25Å; I69-L73 PolarHBondContact O-N 2.88Å; F70-L73 PolarHBondContact O-N 3.4Å; L73-G75 VanDerWaalsContact C-N 3.28Å; L73-G75 PolarHBondContact O-N 3.11Å; L73-I76 PolarHBondContact O-N 2.92Å; L73-I76 VanDerWaalsContact O-N 3.16Å; L73-I77 WeakPolarHBondContact O-CG1 3.49Å; L73-I77 PolarHBondContact O-N 3.4Å
74	L	87.3	Confident	86	Confident	22 Å²	22	81.6 Å²	81.6	12%	0.115	41%	0.411	C	S	.	.	H	α-helix	trans	-58.5	-41.3	174.5	-177.1	64.4	0	0	0	111.6	F70 H71 Y72 I77 H78 F183	F70-L74 VanDerWaalsContact O-CB 3.3Å; F70-L74 WeakPolarHBondContact O-CB 3.25Å; F70-L74 PolarHBondContact O-N 3.17Å; H71-L74 PolarHBondContact O-N 3.49Å; Y72-L74 VanDerWaalsContact C-N 3.33Å; Y72-L74 PolarHBondContact O-N 3.11Å; L74-I77 PolarHBondContact O-N 2.87Å; L74-H78 VanDerWaalsContact O-CB 3.3Å; L74-H78 WeakPolarHBondContact O-CB 3.42Å; L74-H78 PolarHBondContact O-N 2.87Å; L74-F183 HydrophobicContact CD1-CE2 4.22Å; L74-F183 HydrophobicContact CD1-CZ 3.9Å; L74-F183 HydrophobicContact CD2-CE2 4.45Å; L74-F183 HydrophobicContact CD2-CZ 4.06Å; L74-F183 HydrophobicContact CG-CZ 4.05Å
75	G	85.8	Confident	86.3	Confident	29 Å²	29	74.4 Å²	74.4	30%	0.299	37%	0.374	S	S	.	.	H	α-helix	trans	-60.7	-45.2	174	0	0	0	0	0	112.6	H71 Y72 L73 H78 Y79	H71-G75 PolarHBondContact O-N 3.02Å; Y72-G75 PolarHBondContact O-N 3.47Å; Y72-G75 VanDerWaalsContact O-N 3.13Å; L73-G75 VanDerWaalsContact C-N 3.28Å; L73-G75 PolarHBondContact O-N 3.11Å; G75-H78 WeakPolarHBondContact O-CB 3.18Å; G75-H78 PolarHBondContact O-N 3.39Å; G75-Y79 WeakPolarHBondContact O-CD2 3.3Å; G75-Y79 PolarHBondContact O-N 2.78Å; G75-Y79 VanDerWaalsContact O-N 3.08Å
76	I	87.9	Confident	86.6	Confident	83 Å²	83	72.3 Å²	72.3	43%	0.426	36%	0.361	S	S	.	.	H	α-helix	trans	-62.9	-47.2	176.9	-60.7	-57.7	0	0	0	111.3	Y72 L73 H78 Y79 V80	Y72-I76 HydrophobicContact CE1-CG1 4.14Å; Y72-I76 PolarHBondContact O-N 3.4Å; Y72-I76 VanDerWaalsContact O-N 3.09Å; L73-I76 PolarHBondContact O-N 2.92Å; L73-I76 VanDerWaalsContact O-N 3.16Å; I76-H78 VanDerWaalsContact C-N 3.28Å; I76-H78 PolarHBondContact O-N 3.24Å; I76-Y79 PolarHBondContact O-N 3.49Å; I76-V80 PolarHBondContact O-N 2.9Å
77	I	89.9	Confident	86.8	Confident	100 Å²	100	67.7 Å²	67.7	51%	0.513	35%	0.345	S	S	.	.	H	α-helix	trans	-57.8	-44.5	176.9	-68.6	166	0	0	0	110.2	L73 L74 Y79 V80 M81	L73-I77 WeakPolarHBondContact O-CG1 3.49Å; L73-I77 PolarHBondContact O-N 3.4Å; L74-I77 PolarHBondContact O-N 2.87Å; I77-Y79 PolarHBondContact O-N 3.49Å; I77-V80 PolarHBondContact O-N 3.01Å; I77-V80 VanDerWaalsContact O-N 3.17Å; I77-M81 HydrophobicContact CG2-CG 3.87Å; I77-M81 WeakPolarHBondContact O-CB 3.29Å; I77-M81 VanDerWaalsContact O-CG 3.31Å; I77-M81 WeakPolarHBondContact O-CG 3.47Å; I77-M81 PolarHBondContact O-N 2.99Å
78	H	87.2	Confident	87	Confident	28 Å²	28	66.5 Å²	66.5	13%	0.13	34%	0.34	C	S	.	.	H	α-helix	trans	-58.1	-45.8	177.4	-178.7	80	0	0	0	112.3	L74 G75 I76 V80 M81 V82 Y163 F183	L74-H78 VanDerWaalsContact O-CB 3.3Å; L74-H78 WeakPolarHBondContact O-CB 3.42Å; L74-H78 PolarHBondContact O-N 2.87Å; G75-H78 WeakPolarHBondContact O-CB 3.18Å; G75-H78 PolarHBondContact O-N 3.39Å; I76-H78 VanDerWaalsContact C-N 3.28Å; I76-H78 PolarHBondContact O-N 3.24Å; H78-V80 PolarHBondContact O-N 3.47Å; H78-M81 PolarHBondContact O-N 2.93Å; H78-V82 WeakPolarHBondContact CE1-CG2 3.42Å; H78-V82 WeakPolarHBondContact O-CB 3.25Å; H78-V82 VanDerWaalsContact O-CG2 3.26Å; H78-V82 WeakPolarHBondContact O-CG2 3.31Å; H78-V82 PolarHBondContact O-N 3.36Å; H78-Y163 AromaticContact NE2-CE1 3.99Å; H78-Y163 AromaticContact NE2-CZ 3.65Å; H78-Y163 PolarHBondContact NE2-OH 2.92Å; H78-F183 AromaticContact ND1-CD1 3.7Å; H78-F183 AromaticContact ND1-CE1 3.39Å; H78-F183 WeakPolarHBondContact ND1-CE1 3.34Å
79	Y	85.5	Confident	87.1	Confident	114 Å²	114	64 Å²	64	45%	0.447	33%	0.326	S	S	.	.	H	α-helix	trans	-65.3	-23.3	178.3	-82.9	-71.3	0	0	0	114.2	F45 G75 I76 I77 P83	F45-Y79 HydrophobicContact CZ-CD1 4.47Å; G75-Y79 WeakPolarHBondContact O-CD2 3.3Å; G75-Y79 PolarHBondContact O-N 2.78Å; G75-Y79 VanDerWaalsContact O-N 3.08Å; I76-Y79 PolarHBondContact O-N 3.49Å; I77-Y79 PolarHBondContact O-N 3.49Å; Y79-P83 WeakPolarHBondContact O-CD 3.44Å; Y79-P83 WeakPolarHBondContact O-CG 3.36Å
80	V	85.5	Confident	86.2	Confident	89 Å²	89	60.1 Å²	60.1	54%	0.539	31%	0.313	S	S	.	.	H	α-helix	trans	-85.3	-44.6	173.8	177.5	0	0	0	0	111.2	I76 I77 H78 P83 C84	I76-V80 PolarHBondContact O-N 2.9Å; I77-V80 PolarHBondContact O-N 3.01Å; I77-V80 VanDerWaalsContact O-N 3.17Å; H78-V80 PolarHBondContact O-N 3.47Å; V80-P83 WeakPolarHBondContact O-CD 3.44Å; V80-C84 PolarHBondContact O-SG 3.34Å
81	M	87.7	Confident	85.2	Confident	87 Å²	87	56.1 Å²	56.1	43%	0.429	30%	0.298	S	S	.	.	H	α-helix	trans	-72	-34.1	-174	-71.6	-60.6	-66.5	0	0	113.4	I77 H78 C84 S85	I77-M81 HydrophobicContact CG2-CG 3.87Å; I77-M81 WeakPolarHBondContact O-CB 3.29Å; I77-M81 VanDerWaalsContact O-CG 3.31Å; I77-M81 WeakPolarHBondContact O-CG 3.47Å; I77-M81 PolarHBondContact O-N 2.99Å; H78-M81 PolarHBondContact O-N 2.93Å; M81-C84 WeakPolarHBondContact O-CB 3.13Å; M81-C84 PolarHBondContact O-N 3.2Å; M81-S85 PolarHBondContact O-N 3.44Å
82	V	89.2	Confident	84	Confident	2 Å²	2	56 Å²	56	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-49.3	-177.7	174	0	0	0	0	112.6	F45 H78 C84 S85 I86 Y163 W177 V180	F45-V82 HydrophobicContact CD1-CG1 4.28Å; F45-V82 HydrophobicContact CD2-CG1 3.77Å; F45-V82 HydrophobicContact CE1-CB 4.18Å; F45-V82 HydrophobicContact CE1-CG1 3.9Å; F45-V82 HydrophobicContact CE2-CB 4.12Å; F45-V82 HydrophobicContact CE2-CG1 3.34Å; F45-V82 HydrophobicContact CG-CG1 4.22Å; F45-V82 HydrophobicContact CZ-CB 3.72Å; F45-V82 HydrophobicContact CZ-CG1 3.4Å; F45-V82 VanDerWaalsContact CZ-CG1 3.4Å; H78-V82 WeakPolarHBondContact CE1-CG2 3.42Å; H78-V82 WeakPolarHBondContact O-CB 3.25Å; H78-V82 VanDerWaalsContact O-CG2 3.26Å; H78-V82 WeakPolarHBondContact O-CG2 3.31Å; H78-V82 PolarHBondContact O-N 3.36Å; V82-C84 VanDerWaalsContact C-N 3.32Å; V82-C84 PolarHBondContact O-N 2.86Å; V82-S85 WeakPolarHBondContact O-CB 3.47Å; V82-S85 PolarHBondContact O-N 2.92Å; V82-S85 PolarHBondContact O-OG 3.24Å; V82-I86 PolarHBondContact O-N 3.26Å; V82-Y163 HydrophobicContact CG1-CE1 4.23Å; V82-Y163 HydrophobicContact CG2-CE1 4.33Å; V82-W177 HydrophobicContact CG1-CH2 3.57Å; V82-W177 HydrophobicContact CG1-CZ3 3.53Å; V82-V180 HydrophobicContact CG1-CG1 4.45Å; V82-V180 HydrophobicContact CG2-CG1 3.73Å
83	P	87.4	Confident	82.5	Confident	41 Å²	41	57.6 Å²	57.6	27%	0.266	32%	0.322	S	S	.	.	H	α-helix	trans	-56.5	-43.8	171.2	-26.1	34.1	0	0	0	112.9	F45 Y79 V80 S85 I86 L87	F45-P83 HydrophobicContact CD1-CG 3.97Å; F45-P83 HydrophobicContact CE1-CG 3.63Å; Y79-P83 WeakPolarHBondContact O-CD 3.44Å; Y79-P83 WeakPolarHBondContact O-CG 3.36Å; V80-P83 WeakPolarHBondContact O-CD 3.44Å; P83-S85 VanDerWaalsContact C-N 3.27Å; P83-S85 PolarHBondContact O-N 3.17Å; P83-I86 PolarHBondContact O-N 3.38Å; P83-L87 WeakPolarHBondContact O-CG 3.31Å; P83-L87 PolarHBondContact O-N 3.15Å
84	C	86.6	Confident	81	Confident	49 Å²	49	56.9 Å²	56.9	33%	0.331	32%	0.321	S	S	.	.	H	α-helix	trans	-58.8	-38.9	177.6	-67.9	0	0	0	0	112.1	V80 M81 V82 I86 L87 I88	V80-C84 PolarHBondContact O-SG 3.34Å; M81-C84 WeakPolarHBondContact O-CB 3.13Å; M81-C84 PolarHBondContact O-N 3.2Å; V82-C84 VanDerWaalsContact C-N 3.32Å; V82-C84 PolarHBondContact O-N 2.86Å; C84-I86 PolarHBondContact O-N 3.45Å; C84-L87 PolarHBondContact O-N 3.26Å; C84-I88 VanDerWaalsContact O-CG1 3.27Å; C84-I88 WeakPolarHBondContact O-CG1 3.39Å; C84-I88 PolarHBondContact O-N 3.45Å
85	S	88.3	Confident	79.9	Confident	9 Å²	9	61.9 Å²	61.9	6%	0.063	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-29.3	176.2	77.2	0	0	0	0	113.2	M81 V82 P83 E89 T176	M81-S85 PolarHBondContact O-N 3.44Å; V82-S85 WeakPolarHBondContact O-CB 3.47Å; V82-S85 PolarHBondContact O-N 2.92Å; V82-S85 PolarHBondContact O-OG 3.24Å; P83-S85 VanDerWaalsContact C-N 3.27Å; P83-S85 PolarHBondContact O-N 3.17Å; S85-E89 WeakPolarHBondContact O-CG 3.4Å; S85-T176 PolarHBondContact O-OG1 3.45Å; S85-T176 VanDerWaalsContact O-OG1 3.05Å
86	I	87.4	Confident	78.8	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-78.5	-42.2	174.6	-61.8	167.3	0	0	0	110	V38 C41 F45 V82 P83 C84 E89 W177	V38-I86 HydrophobicContact CG1-CG2 4.17Å; C41-I86 HydrophobicContact CB-CD1 3.99Å; C41-I86 HydrophobicContact CB-CG1 4.36Å; C41-I86 HydrophobicContact CB-CG2 3.76Å; F45-I86 HydrophobicContact CB-CD1 4.21Å; V82-I86 PolarHBondContact O-N 3.26Å; P83-I86 PolarHBondContact O-N 3.38Å; C84-I86 PolarHBondContact O-N 3.45Å; I86-E89 PolarHBondContact O-N 2.98Å; I86-W177 HydrophobicContact CD1-CE3 4.3Å; I86-W177 HydrophobicContact CD1-CH2 4.06Å; I86-W177 HydrophobicContact CD1-CZ3 3.54Å; I86-W177 HydrophobicContact CG1-CE3 3.73Å; I86-W177 HydrophobicContact CG1-CH2 4.39Å; I86-W177 HydrophobicContact CG1-CZ3 3.43Å; I86-W177 VanDerWaalsContact CG1-CZ3 3.43Å
87	L	87.2	Confident	78.1	Confident	103 Å²	103	70.3 Å²	70.3	54%	0.539	38%	0.384	S	S	.	.	H	α-helix	trans	-71.2	-37.9	-173.5	-67.1	174.3	0	0	0	113.2	V38 P83 C84 E89 G90	V38-L87 HydrophobicContact CG1-CD2 4.34Å; P83-L87 WeakPolarHBondContact O-CG 3.31Å; P83-L87 PolarHBondContact O-N 3.15Å; C84-L87 PolarHBondContact O-N 3.26Å; L87-E89 PolarHBondContact O-N 3.36Å; L87-G90 PolarHBondContact O-N 2.92Å
88	I	86.5	Confident	77.8	Confident	80 Å²	80	76.7 Å²	76.7	41%	0.41	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-25.5	177.7	-68.2	166.2	0	0	0	111.6	F22 C84	F22-I88 HydrophobicContact CE1-CD1 4.05Å; F22-I88 HydrophobicContact CE1-CG2 4.39Å; C84-I88 VanDerWaalsContact O-CG1 3.27Å; C84-I88 WeakPolarHBondContact O-CG1 3.39Å; C84-I88 PolarHBondContact O-N 3.45Å
89	E	85	Confident	77.8	Confident	1 Å²	1	77.8 Å²	77.8	1%	0.005	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	-12.6	-178.9	-63.9	-61.5	163.8	0	0	114.5	R32 L33 S85 I86 L87 P91 N175 T176	R32-E89 WeakPolarHBondContact CB-OE2 3.02Å; R32-E89 IonicContact CZ-OE1 2.96Å; R32-E89 IonicContact CZ-OE2 2.72Å; R32-E89 VanDerWaalsContact CZ-OE2 3.29Å; R32-E89 IonicContact NE-OE1 2.76Å; R32-E89 IonicContact NE-OE2 2.79Å; R32-E89 PolarHBondContact NE-OE2 3.19Å; R32-E89 VanDerWaalsContact NH2-CD 3.27Å; R32-E89 IonicContact NH2-OE1 2.64Å; R32-E89 PolarHBondContact NH2-OE1 3.02Å; R32-E89 IonicContact NH2-OE2 2.66Å; R32-E89 PolarHBondContact NH2-OE2 3.03Å; R32-E89 VanDerWaalsContact NH2-OE2 3.15Å; L33-E89 WeakPolarHBondContact CB-O 3.45Å; L33-E89 HydrophobicContact CD1-CB 3.65Å; L33-E89 HydrophobicContact CG-CB 3.9Å; L33-E89 PolarHBondContact N-O 2.82Å; S85-E89 WeakPolarHBondContact O-CG 3.4Å; I86-E89 PolarHBondContact O-N 2.98Å; L87-E89 PolarHBondContact O-N 3.36Å; E89-P91 VanDerWaalsContact O-CD 3.31Å; E89-P91 WeakPolarHBondContact O-CD 3.26Å; E89-N175 HydrophobicContact CG-CB 4.15Å; E89-N175 WeakPolarHBondContact OE2-CB 3.13Å; E89-T176 WeakPolarHBondContact CG-OG1 3.37Å; E89-T176 VanDerWaalsContact OE1-CB 3.29Å; E89-T176 WeakPolarHBondContact OE1-CB 3.34Å; E89-T176 WeakPolarHBondContact OE1-CG2 3.49Å; E89-T176 PolarHBondContact OE1-N 3.26Å; E89-T176 VanDerWaalsContact OE1-N 3.13Å; E89-T176 PolarHBondContact OE1-OG1 2.74Å
90	G	71.7	Confident	78.1	Confident	24 Å²	24	75 Å²	75	25%	0.247	40%	0.403	C	S	.	.			trans	-93.2	122.8	-174.7	0	0	0	0	0	112.4	L87	L87-G90 PolarHBondContact O-N 2.92Å
91	P	68.2	Low	78.4	Confident	34 Å²	34	78 Å²	78	22%	0.221	42%	0.415	C	S	.	.			trans	-149.3	-173.8	160.5	12.7	16.8	0	0	0	114.5	S31 L33 E89	S31-P91 VanDerWaalsContact OG-CB 3.25Å; S31-P91 WeakPolarHBondContact OG-CB 3.42Å; S31-P91 WeakPolarHBondContact OG-CD 3.15Å; S31-P91 WeakPolarHBondContact OG-CG 3.49Å; L33-P91 WeakPolarHBondContact O-CD 3.31Å; E89-P91 VanDerWaalsContact O-CD 3.31Å; E89-P91 WeakPolarHBondContact O-CD 3.26Å
92	S	56.6	Low	78.7	Confident	69 Å²	69	76.7 Å²	76.7	48%	0.483	41%	0.409	S	S	.	.			trans	63.2	88.5	173.7	-159.7	0	0	0	0	112.4	S31 T94	S31-S92 WeakPolarHBondContact OG-CB 3.47Å; S92-T94 PolarHBondContact O-N 3.16Å; S92-T94 PolarHBondContact O-OG1 3.42Å
93	L	52.6	Low	79	Confident	157 Å²	157	76.9 Å²	76.9	82%	0.822	41%	0.409	S	S	*	.			trans	-44.8	99.4	165.4	-80.4	138.2	0	0	0	109.7	E35	E35-L93 VanDerWaalsContact CD-CA 3.48Å; E35-L93 WeakPolarHBondContact OE1-CA 3.32Å; E35-L93 WeakPolarHBondContact OE1-CD2 3.31Å; E35-L93 VanDerWaalsContact OE1-CG 3.27Å; E35-L93 WeakPolarHBondContact OE1-CG 3.36Å; E35-L93 WeakPolarHBondContact OE2-CA 3.33Å
94	T	57.8	Low	79.4	Confident	72 Å²	72	82 Å²	82	44%	0.442	42%	0.424	S	S	.	.			trans	-147.2	155	-176.7	52.3	0	0	0	0	109.8	E35 S92 L96	E35-T94 PolarHBondContact OE2-N 3.37Å; S92-T94 PolarHBondContact O-N 3.16Å; S92-T94 PolarHBondContact O-OG1 3.42Å; T94-L96 PolarHBondContact O-N 2.99Å
95	T	63.1	Low	80	Confident	127 Å²	127	85.3 Å²	85.3	78%	0.779	43%	0.432	S	S	*	.			trans	-46.6	130	-175.4	-49.7	0	0	0	0	113.1	K97	T95-K97 PolarHBondContact O-N 2.91Å
96	L	64.5	Low	80.4	Confident	134 Å²	134	84.9 Å²	84.9	70%	0.702	43%	0.429	S	S	*	.			trans	-50.7	108	171.7	-67.9	174	0	0	0	110	A36 T94	A36-L96 HydrophobicContact CB-CD2 4.02Å; T94-L96 PolarHBondContact O-N 2.99Å
97	K	72.9	Confident	81	Confident	155 Å²	155	86.2 Å²	86.2	67%	0.674	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-81.7	148.5	172.1	-68.5	-174.9	179.6	179.6	0	109.6	T95	T95-K97 PolarHBondContact O-N 2.91Å
98	R	83.3	Confident	81.5	Confident	235 Å²	235	84.1 Å²	84.1	89%	0.887	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-56	140.6	171.4	-170	178.1	-176.5	-167.7	0.7	110.2
99	L	86.9	Confident	82.1	Confident	50 Å²	50	82.1 Å²	82.1	26%	0.262	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-59.3	138.5	176.5	-65.1	-177.8	0	0	0	111.4	L40 Q103 W104	L40-L99 HydrophobicContact CD2-CD2 4Å; L99-Q103 HydrophobicContact CB-CB 4.29Å; L99-Q103 HydrophobicContact CD2-CB 4.45Å; L99-W104 HydrophobicContact CD1-CD2 4.49Å; L99-W104 HydrophobicContact CD1-CH2 4.41Å; L99-W104 HydrophobicContact CD1-CZ2 3.96Å
100	T	91	Very high	82.7	Confident	55 Å²	55	82.6 Å²	82.6	34%	0.337	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-73.6	160.8	175.7	70.4	0	0	0	0	110.9	M102 Q103 W104 N171	T100-M102 PolarHBondContact O-N 3.25Å; T100-Q103 WeakPolarHBondContact O-CB 3.43Å; T100-Q103 PolarHBondContact O-N 2.94Å; T100-Q103 VanDerWaalsContact O-N 3.12Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.31Å; T100-Q103 PolarHBondContact OG1-N 2.76Å; T100-W104 PolarHBondContact O-N 3.46Å; T100-W104 VanDerWaalsContact O-N 3.09Å; T100-N171 PolarHBondContact OG1-OD1 2.86Å; T100-N171 VanDerWaalsContact OG1-OD1 3.1Å
101	L	93.3	Very high	84	Confident	152 Å²	152	84.9 Å²	84.9	80%	0.796	44%	0.436	S	S	*	.	H	α-helix	trans	-58.8	-36.3	173.9	-177.5	63.4	0	0	0	111.8	Q103 W104 F105	L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 2.95Å; L101-W104 PolarHBondContact O-N 3.36Å; L101-F105 PolarHBondContact O-N 2.97Å
102	M	94	Very high	85.5	Confident	61 Å²	61	88.3 Å²	88.3	30%	0.3	45%	0.445	S	S	.	.	H	α-helix	trans	-62.2	-39.9	175.9	-172	64.3	162.2	0	0	112.1	T100 F105 G106 L168 L172	T100-M102 PolarHBondContact O-N 3.25Å; M102-F105 PolarHBondContact O-N 2.79Å; M102-G106 PolarHBondContact O-N 2.64Å; M102-L168 HydrophobicContact CE-CB 4.28Å; M102-L168 HydrophobicContact CE-CD2 3.21Å; M102-L168 HydrophobicContact CE-CG 4.33Å; M102-L168 WeakPolarHBondContact CG-O 3.18Å; M102-L168 HydrophobicContact SD-CD2 4.16Å; M102-L172 HydrophobicContact CE-CD1 3.46Å; M102-L172 VanDerWaalsContact CE-CD1 3.46Å; M102-L172 HydrophobicContact CE-CG 3.62Å
103	Q	95.2	Very high	87.5	Confident	6 Å²	6	85 Å²	85	3%	0.028	42%	0.422	C	S	.	.	H	α-helix	trans	-65.7	-43.6	174.9	-75.7	175.7	-38.2	0	0	111.9	T37 L40 L99 T100 L101 F105 G106 V107 C169	T37-Q103 PolarHBondContact OG1-NE2 3.26Å; L40-Q103 HydrophobicContact CD2-CB 4.16Å; L40-Q103 HydrophobicContact CD2-CG 4.24Å; L99-Q103 HydrophobicContact CB-CB 4.29Å; L99-Q103 HydrophobicContact CD2-CB 4.45Å; T100-Q103 WeakPolarHBondContact O-CB 3.43Å; T100-Q103 PolarHBondContact O-N 2.94Å; T100-Q103 VanDerWaalsContact O-N 3.12Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.31Å; T100-Q103 PolarHBondContact OG1-N 2.76Å; L101-Q103 VanDerWaalsContact C-N 3.33Å; L101-Q103 PolarHBondContact O-N 2.95Å; Q103-F105 VanDerWaalsContact C-N 3.31Å; Q103-F105 PolarHBondContact O-N 3.49Å; Q103-G106 PolarHBondContact O-N 3.16Å; Q103-V107 VanDerWaalsContact O-CG2 3.31Å; Q103-V107 WeakPolarHBondContact O-CG2 3.41Å; Q103-V107 PolarHBondContact O-N 3.25Å; Q103-C169 VanDerWaalsContact CG-O 3.25Å; Q103-C169 WeakPolarHBondContact CG-O 3.43Å; Q103-C169 PolarHBondContact NE2-O 3.27Å
104	W	96.3	Very high	89.6	Confident	149 Å²	149	78.1 Å²	78.1	56%	0.564	39%	0.387	S	S	*	.	H	α-helix	trans	-60.6	-40.8	174.1	-79.5	112.7	0	0	0	112.6	L99 T100 L101 V107 A108	L99-W104 HydrophobicContact CD1-CD2 4.49Å; L99-W104 HydrophobicContact CD1-CH2 4.41Å; L99-W104 HydrophobicContact CD1-CZ2 3.96Å; T100-W104 PolarHBondContact O-N 3.46Å; T100-W104 VanDerWaalsContact O-N 3.09Å; L101-W104 PolarHBondContact O-N 3.36Å; W104-V107 PolarHBondContact O-N 3.43Å; W104-A108 WeakPolarHBondContact O-CB 3.33Å; W104-A108 PolarHBondContact O-N 3.49Å
105	F	97.9	Very high	91.6	Very high	117 Å²	117	80.2 Å²	80.2	51%	0.513	39%	0.394	S	S	.	.	H	α-helix	trans	-63.4	-44.6	174.1	-179.4	-111	0	0	0	112	L101 M102 Q103 V107 A108 L109 L168	L101-F105 PolarHBondContact O-N 2.97Å; M102-F105 PolarHBondContact O-N 2.79Å; Q103-F105 VanDerWaalsContact C-N 3.31Å; Q103-F105 PolarHBondContact O-N 3.49Å; F105-V107 PolarHBondContact O-N 2.72Å; F105-A108 PolarHBondContact O-N 2.61Å; F105-L109 WeakPolarHBondContact O-CB 3.38Å; F105-L109 PolarHBondContact O-N 3.21Å; F105-L168 HydrophobicContact CD1-CD1 3.85Å; F105-L168 HydrophobicContact CE1-CD1 3.78Å
106	G	98.3	Very high	93.2	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-57.9	-44.6	173.7	0	0	0	0	0	112.7	M102 Q103 L109 F110 S165	M102-G106 PolarHBondContact O-N 2.64Å; Q103-G106 PolarHBondContact O-N 3.16Å; G106-L109 PolarHBondContact O-N 2.76Å; G106-F110 WeakPolarHBondContact O-CB 3.5Å; G106-F110 PolarHBondContact O-N 2.97Å; G106-S165 WeakPolarHBondContact O-CB 3.43Å
107	V	98.3	Very high	94.8	Very high	29 Å²	29	70.3 Å²	70.3	18%	0.176	34%	0.335	C	S	.	.	H	α-helix	trans	-63.3	-45	176	172.4	0	0	0	0	111.6	L40 L44 Q103 W104 F105 L109 F110 V111	L40-V107 HydrophobicContact CD1-CG2 3.88Å; L40-V107 HydrophobicContact CD2-CG2 4.26Å; L44-V107 HydrophobicContact CD1-CG2 4.26Å; L44-V107 HydrophobicContact CD2-CG2 4.5Å; Q103-V107 VanDerWaalsContact O-CG2 3.31Å; Q103-V107 WeakPolarHBondContact O-CG2 3.41Å; Q103-V107 PolarHBondContact O-N 3.25Å; W104-V107 PolarHBondContact O-N 3.43Å; F105-V107 PolarHBondContact O-N 2.72Å; V107-L109 VanDerWaalsContact C-N 3.34Å; V107-L109 PolarHBondContact O-N 3.32Å; V107-F110 WeakPolarHBondContact O-CB 3.36Å; V107-F110 PolarHBondContact O-N 3.17Å; V107-V111 WeakPolarHBondContact O-CG2 3.39Å; V107-V111 PolarHBondContact O-N 3.17Å
108	A	98.4	Very high	96	Very high	59 Å²	59	65.4 Å²	65.4	49%	0.488	31%	0.314	S	S	.	.	H	α-helix	trans	-61.7	-43.2	177.9	0	0	0	0	0	111.7	W104 F105 V111 W112	W104-A108 WeakPolarHBondContact O-CB 3.33Å; W104-A108 PolarHBondContact O-N 3.49Å; F105-A108 PolarHBondContact O-N 2.61Å; A108-V111 PolarHBondContact O-N 3.46Å; A108-W112 WeakPolarHBondContact O-CB 3.21Å; A108-W112 PolarHBondContact O-N 3.04Å
109	L	98.6	Very high	96.6	Very high	39 Å²	39	57.5 Å²	57.5	20%	0.204	29%	0.287	C	S	.	.	H	α-helix	trans	-65.4	-40.9	176.9	-171.8	66.5	0	0	0	111.7	F105 G106 V107 W112 A113 I161 L168	F105-L109 WeakPolarHBondContact O-CB 3.38Å; F105-L109 PolarHBondContact O-N 3.21Å; G106-L109 PolarHBondContact O-N 2.76Å; V107-L109 VanDerWaalsContact C-N 3.34Å; V107-L109 PolarHBondContact O-N 3.32Å; L109-W112 HydrophobicContact CD1-CE3 3.91Å; L109-W112 HydrophobicContact CD1-CZ3 4.18Å; L109-W112 PolarHBondContact O-N 3.43Å; L109-A113 VanDerWaalsContact O-CB 3.3Å; L109-A113 WeakPolarHBondContact O-CB 3.25Å; L109-A113 PolarHBondContact O-N 2.87Å; L109-I161 HydrophobicContact CD1-CG2 3.84Å; L109-I161 HydrophobicContact CD2-CG2 3.96Å; L109-I161 HydrophobicContact CG-CG2 3.68Å; L109-L168 HydrophobicContact CD2-CD1 3.55Å
110	F	98.7	Very high	97.1	Very high	11 Å²	11	55.3 Å²	55.3	5%	0.048	28%	0.276	C	S	.	.	H	α-helix	trans	-57.5	-49.6	174.5	177.3	-87.7	0	0	0	111.4	L44 A47 Q48 G106 V107 S114 I162 S165 I166	L44-F110 HydrophobicContact CB-CD2 4.24Å; L44-F110 HydrophobicContact CB-CE2 4.04Å; L44-F110 HydrophobicContact CB-CZ 4.23Å; L44-F110 HydrophobicContact CD2-CD1 3.69Å; L44-F110 HydrophobicContact CD2-CD2 4.43Å; L44-F110 HydrophobicContact CD2-CE1 3.98Å; L44-F110 HydrophobicContact CD2-CG 3.96Å; L44-F110 HydrophobicContact CD2-CZ 4.47Å; L44-F110 WeakPolarHBondContact O-CZ 3.45Å; A47-F110 HydrophobicContact CB-CZ 4.5Å; Q48-F110 HydrophobicContact CB-CE2 4.2Å; Q48-F110 HydrophobicContact CB-CZ 4.08Å; G106-F110 WeakPolarHBondContact O-CB 3.5Å; G106-F110 PolarHBondContact O-N 2.97Å; V107-F110 WeakPolarHBondContact O-CB 3.36Å; V107-F110 PolarHBondContact O-N 3.17Å; F110-S114 WeakPolarHBondContact O-CB 3.4Å; F110-S114 PolarHBondContact O-N 3.33Å; F110-S114 PolarHBondContact O-OG 3.4Å; F110-I162 HydrophobicContact CD2-CG2 3.82Å; F110-I162 HydrophobicContact CE2-CG2 3.6Å; F110-S165 VanDerWaalsContact CA-OG 3.31Å; F110-S165 WeakPolarHBondContact CA-OG 3.29Å; F110-S165 VanDerWaalsContact CB-OG 3.25Å; F110-S165 WeakPolarHBondContact CB-OG 3.36Å; F110-I166 HydrophobicContact CD2-CD1 4.45Å; F110-I166 HydrophobicContact CD2-CG1 4.14Å; F110-I166 HydrophobicContact CE2-CD1 4.25Å; F110-I166 HydrophobicContact CE2-CG1 4.41Å
111	V	98.7	Very high	97.3	Very high	71 Å²	71	54.7 Å²	54.7	43%	0.43	27%	0.269	S	S	.	.	H	α-helix	trans	-63.4	-48.8	-179	170.8	0	0	0	0	110.2	V107 A108 A113 S114 L115	V107-V111 WeakPolarHBondContact O-CG2 3.39Å; V107-V111 PolarHBondContact O-N 3.17Å; A108-V111 PolarHBondContact O-N 3.46Å; V111-A113 PolarHBondContact O-N 2.93Å; V111-S114 PolarHBondContact O-N 3.48Å; V111-L115 HydrophobicContact CG1-CD1 4.01Å; V111-L115 HydrophobicContact CG1-CG 4.44Å; V111-L115 VanDerWaalsContact O-CG 3.3Å; V111-L115 WeakPolarHBondContact O-CG 3.5Å; V111-L115 PolarHBondContact O-N 3.23Å
112	W	98.6	Very high	97.4	Very high	107 Å²	107	54.7 Å²	54.7	41%	0.405	26%	0.258	S	S	.	.	H	α-helix	trans	-59.2	-49.6	178.9	170.8	81.6	0	0	0	112.5	A108 L109 S114 L115 K116 W147 F158 I161	A108-W112 WeakPolarHBondContact O-CB 3.21Å; A108-W112 PolarHBondContact O-N 3.04Å; L109-W112 HydrophobicContact CD1-CE3 3.91Å; L109-W112 HydrophobicContact CD1-CZ3 4.18Å; L109-W112 PolarHBondContact O-N 3.43Å; W112-S114 VanDerWaalsContact C-N 3.28Å; W112-S114 PolarHBondContact O-N 3.26Å; W112-L115 PolarHBondContact O-N 3.4Å; W112-K116 HydrophobicContact CD2-CG 4.45Å; W112-K116 HydrophobicContact CZ2-CG 4.28Å; W112-K116 WeakPolarHBondContact O-CG 2.98Å; W112-K116 PolarHBondContact O-N 3.34Å; W112-W147 HydrophobicContact CZ2-CZ2 4.45Å; W112-F158 HydrophobicContact CH2-CD1 4.35Å; W112-F158 AromaticContact CH2-CE1 3.69Å; W112-F158 HydrophobicContact CH2-CE1 3.69Å; W112-F158 HydrophobicContact CZ2-CE1 4.11Å; W112-F158 HydrophobicContact CZ3-CD1 4.3Å; W112-F158 HydrophobicContact CZ3-CE1 4.09Å; W112-I161 HydrophobicContact CH2-CD1 4.3Å; W112-I161 HydrophobicContact CZ3-CD1 3.79Å; W112-I161 HydrophobicContact CZ3-CG2 4.27Å
113	A	98.5	Very high	97.5	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-37.3	178.7	0	0	0	0	0	111.2	L109 V111 K116 Q117 F158 I161 I162	L109-A113 VanDerWaalsContact O-CB 3.3Å; L109-A113 WeakPolarHBondContact O-CB 3.25Å; L109-A113 PolarHBondContact O-N 2.87Å; V111-A113 PolarHBondContact O-N 2.93Å; A113-K116 PolarHBondContact O-N 2.89Å; A113-Q117 WeakPolarHBondContact O-CB 3.3Å; A113-Q117 PolarHBondContact O-N 3.38Å; A113-F158 HydrophobicContact CB-CD1 4.42Å; A113-I161 HydrophobicContact CB-CB 3.99Å; A113-I161 HydrophobicContact CB-CG2 3.6Å; A113-I162 HydrophobicContact CB-CD1 4.43Å; A113-I162 HydrophobicContact CB-CG1 3.71Å
114	S	98.5	Very high	97.4	Very high	12 Å²	12	54.9 Å²	54.9	8%	0.084	26%	0.26	C	S	.	.	H	α-helix	trans	-63.1	-42.6	175.9	-67.5	0	0	0	0	112.5	R51 F110 V111 W112 H118	R51-S114 PolarHBondContact NH1-O 3.29Å; F110-S114 WeakPolarHBondContact O-CB 3.4Å; F110-S114 PolarHBondContact O-N 3.33Å; F110-S114 PolarHBondContact O-OG 3.4Å; V111-S114 PolarHBondContact O-N 3.48Å; W112-S114 VanDerWaalsContact C-N 3.28Å; W112-S114 PolarHBondContact O-N 3.26Å; S114-H118 WeakPolarHBondContact O-CB 3.45Å; S114-H118 PolarHBondContact O-N 2.74Å
115	L	98.2	Very high	97.3	Very high	115 Å²	115	48.2 Å²	48.2	60%	0.602	24%	0.237	S	C	*	.	H	α-helix	trans	-65.4	-46.2	176.3	-69.1	171.9	0	0	0	111.3	V111 W112 Q117 H118 E119	V111-L115 HydrophobicContact CG1-CD1 4.01Å; V111-L115 HydrophobicContact CG1-CG 4.44Å; V111-L115 VanDerWaalsContact O-CG 3.3Å; V111-L115 WeakPolarHBondContact O-CG 3.5Å; V111-L115 PolarHBondContact O-N 3.23Å; W112-L115 PolarHBondContact O-N 3.4Å; L115-Q117 VanDerWaalsContact C-N 3.32Å; L115-Q117 PolarHBondContact O-N 2.99Å; L115-H118 WeakPolarHBondContact O-CB 3.35Å; L115-H118 PolarHBondContact O-N 2.97Å; L115-E119 PolarHBondContact O-N 3.13Å
116	K	98	Very high	97.1	Very high	53 Å²	53	45.6 Å²	45.6	23%	0.23	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-37.3	-179.6	-77.2	-72.8	158.9	-154.7	0	113.1	W112 A113 E119 C120 F158	W112-K116 HydrophobicContact CD2-CG 4.45Å; W112-K116 HydrophobicContact CZ2-CG 4.28Å; W112-K116 WeakPolarHBondContact O-CG 2.98Å; W112-K116 PolarHBondContact O-N 3.34Å; A113-K116 PolarHBondContact O-N 2.89Å; K116-E119 IonicContact NZ-OE1 3.78Å; K116-E119 IonicContact NZ-OE2 3.85Å; K116-E119 PolarHBondContact NZ-OE2 3.45Å; K116-E119 WeakPolarHBondContact O-CB 3.49Å; K116-E119 PolarHBondContact O-N 3.34Å; K116-C120 PolarHBondContact O-N 2.89Å; K116-C120 VanDerWaalsContact O-N 3.12Å; K116-C120 PolarHBondContact O-SG 3.39Å; K116-F158 HydrophobicContact CB-CD1 3.8Å; K116-F158 HydrophobicContact CB-CD2 3.86Å; K116-F158 HydrophobicContact CB-CE1 3.56Å; K116-F158 HydrophobicContact CB-CE2 3.64Å; K116-F158 HydrophobicContact CB-CG 3.96Å; K116-F158 HydrophobicContact CB-CZ 3.49Å; K116-F158 VanDerWaalsContact CB-CZ 3.49Å; K116-F158 HydrophobicContact CD-CZ 4.18Å; K116-F158 HydrophobicContact CG-CE1 4.01Å; K116-F158 HydrophobicContact CG-CZ 3.97Å
117	Q	97.5	Very high	96.8	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-70.3	-38.4	175.7	-161.7	-178.4	37.6	0	0	112.2	R51 R52 A113 L115 E119 C120 F121 H155 F158 E159	R51-Q117 VanDerWaalsContact CZ-OE1 3.31Å; R52-Q117 VanDerWaalsContact CZ-CD 3.4Å; R52-Q117 VanDerWaalsContact NH2-CG 3.35Å; A113-Q117 WeakPolarHBondContact O-CB 3.3Å; A113-Q117 PolarHBondContact O-N 3.38Å; L115-Q117 VanDerWaalsContact C-N 3.32Å; L115-Q117 PolarHBondContact O-N 2.99Å; Q117-E119 VanDerWaalsContact C-N 3.34Å; Q117-C120 WeakPolarHBondContact O-CB 3.19Å; Q117-C120 PolarHBondContact O-N 3.16Å; Q117-F121 HydrophobicContact CG-CD2 4.44Å; Q117-F121 HydrophobicContact CG-CE2 4.16Å; Q117-F121 VanDerWaalsContact O-CD2 3.3Å; Q117-F121 WeakPolarHBondContact O-CD2 3.3Å; Q117-F121 PolarHBondContact O-N 2.98Å; Q117-F121 VanDerWaalsContact O-N 3.13Å; Q117-H155 HydrophobicContact CG-CB 4.01Å; Q117-H155 PolarHBondContact NE2-O 3.13Å; Q117-F158 HydrophobicContact CB-CB 3.66Å; Q117-F158 HydrophobicContact CB-CD2 4.45Å; Q117-F158 HydrophobicContact CB-CG 4.37Å; Q117-F158 HydrophobicContact CG-CB 3.97Å; Q117-E159 VanDerWaalsContact NE2-CB 3.33Å; Q117-E159 PolarHBondContact NE2-OE2 2.87Å; Q117-E159 PolarHBondContact OE1-OE2 2.78Å
118	H	97.5	Very high	96.6	Very high	51 Å²	51	49.5 Å²	49.5	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-42.3	174.2	-175.6	67.7	0	0	0	111.6	E55 S114 L115 C120 F121 R122	E55-H118 WeakPolarHBondContact OE1-CA 3.39Å; E55-H118 WeakPolarHBondContact OE1-CB 3.48Å; E55-H118 IonicContact OE1-CE1 3.58Å; E55-H118 IonicContact OE1-CG 2.93Å; E55-H118 IonicContact OE1-ND1 3.56Å; E55-H118 PolarHBondContact OE1-ND1 3.09Å; S114-H118 WeakPolarHBondContact O-CB 3.45Å; S114-H118 PolarHBondContact O-N 2.74Å; L115-H118 WeakPolarHBondContact O-CB 3.35Å; L115-H118 PolarHBondContact O-N 2.97Å; H118-C120 VanDerWaalsContact C-N 3.26Å; H118-C120 PolarHBondContact O-N 3.08Å; H118-F121 PolarHBondContact O-N 3.44Å; H118-F121 VanDerWaalsContact O-N 3.13Å; H118-R122 WeakPolarHBondContact O-CG 3.4Å; H118-R122 PolarHBondContact O-N 2.87Å
119	E	96.8	Very high	96.3	Very high	70 Å²	70	50.2 Å²	50.2	33%	0.327	24%	0.242	S	C	.	.	H	α-helix	trans	-54.5	-43.3	172	-173.1	-175.6	166.8	0	0	111.4	L115 K116 Q117 F121 R122 I123	L115-E119 PolarHBondContact O-N 3.13Å; K116-E119 IonicContact NZ-OE1 3.78Å; K116-E119 IonicContact NZ-OE2 3.85Å; K116-E119 PolarHBondContact NZ-OE2 3.45Å; K116-E119 WeakPolarHBondContact O-CB 3.49Å; K116-E119 PolarHBondContact O-N 3.34Å; Q117-E119 VanDerWaalsContact C-N 3.34Å; E119-F121 PolarHBondContact O-N 2.9Å; E119-R122 WeakPolarHBondContact O-CB 3.32Å; E119-R122 PolarHBondContact O-N 3.34Å; E119-I123 WeakPolarHBondContact O-CG1 3.46Å; E119-I123 PolarHBondContact O-N 2.59Å
120	C	96.4	Very high	95.8	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.027	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-44.3	176.1	-63.3	0	0	0	0	112.3	K116 Q117 H118 R122 I123 L124 F148 H155	K116-C120 PolarHBondContact O-N 2.89Å; K116-C120 VanDerWaalsContact O-N 3.12Å; K116-C120 PolarHBondContact O-SG 3.39Å; Q117-C120 WeakPolarHBondContact O-CB 3.19Å; Q117-C120 PolarHBondContact O-N 3.16Å; H118-C120 VanDerWaalsContact C-N 3.26Å; H118-C120 PolarHBondContact O-N 3.08Å; C120-R122 VanDerWaalsContact C-N 3.31Å; C120-R122 PolarHBondContact O-N 3.08Å; C120-I123 PolarHBondContact O-N 2.98Å; C120-L124 WeakPolarHBondContact O-CG 3.42Å; C120-L124 PolarHBondContact O-N 3.08Å; C120-F148 HydrophobicContact CB-CE2 3.74Å; C120-F148 HydrophobicContact CB-CZ 3.98Å; C120-H155 HydrophobicContact CB-CB 3.74Å
121	F	95.7	Very high	95.3	Very high	41 Å²	41	60.2 Å²	60.2	18%	0.18	29%	0.285	C	S	.	.	H	α-helix	trans	-65.8	-34.5	176.6	-80.3	-73	0	0	0	112.7	R52 L59 Q117 H118 E119 L124 S125 H155	R52-F121 VanDerWaalsContact CZ-CE2 3.43Å; R52-F121 VanDerWaalsContact NH1-CE2 3.32Å; L59-F121 HydrophobicContact CD2-CB 3.82Å; Q117-F121 HydrophobicContact CG-CD2 4.44Å; Q117-F121 HydrophobicContact CG-CE2 4.16Å; Q117-F121 VanDerWaalsContact O-CD2 3.3Å; Q117-F121 WeakPolarHBondContact O-CD2 3.3Å; Q117-F121 PolarHBondContact O-N 2.98Å; Q117-F121 VanDerWaalsContact O-N 3.13Å; H118-F121 PolarHBondContact O-N 3.44Å; H118-F121 VanDerWaalsContact O-N 3.13Å; E119-F121 PolarHBondContact O-N 2.9Å; F121-L124 HydrophobicContact CD1-CD1 4.33Å; F121-L124 PolarHBondContact O-N 2.91Å; F121-S125 WeakPolarHBondContact O-CB 3.35Å; F121-S125 PolarHBondContact O-N 3.45Å; F121-S125 PolarHBondContact O-OG 3.43Å; F121-H155 HydrophobicContact CE2-CB 4.17Å
122	R	95.5	Very high	94.8	Very high	152 Å²	152	61.7 Å²	61.7	57%	0.574	30%	0.298	S	S	*	.	H	α-helix	trans	-61.4	-47.8	173.5	-72.7	-179.4	62.9	-156.5	-2.1	110.9	L59 H118 E119 C120 L124 S125 A126	L59-R122 HydrophobicContact CD1-CG 4.37Å; L59-R122 HydrophobicContact CD2-CG 3.87Å; H118-R122 WeakPolarHBondContact O-CG 3.4Å; H118-R122 PolarHBondContact O-N 2.87Å; E119-R122 WeakPolarHBondContact O-CB 3.32Å; E119-R122 PolarHBondContact O-N 3.34Å; C120-R122 VanDerWaalsContact C-N 3.31Å; C120-R122 PolarHBondContact O-N 3.08Å; R122-L124 VanDerWaalsContact C-N 3.35Å; R122-L124 PolarHBondContact O-N 3.49Å; R122-S125 PolarHBondContact O-N 3.12Å; R122-S125 PolarHBondContact O-OG 2.78Å; R122-A126 VanDerWaalsContact O-CB 3.26Å; R122-A126 WeakPolarHBondContact O-CB 3.35Å; R122-A126 PolarHBondContact O-N 2.91Å
123	I	95.5	Very high	94.2	Very high	36 Å²	36	58.1 Å²	58.1	19%	0.185	29%	0.294	C	S	.	.	H	α-helix	trans	-57.8	-47.7	175.5	-66.1	167.8	0	0	0	110.7	E119 C120 S125 A126 M127 P143 H144 F148	E119-I123 WeakPolarHBondContact O-CG1 3.46Å; E119-I123 PolarHBondContact O-N 2.59Å; C120-I123 PolarHBondContact O-N 2.98Å; I123-S125 VanDerWaalsContact C-N 3.33Å; I123-S125 PolarHBondContact O-N 2.75Å; I123-A126 PolarHBondContact O-N 2.77Å; I123-M127 WeakPolarHBondContact O-CG 3.47Å; I123-M127 PolarHBondContact O-N 2.89Å; I123-P143 HydrophobicContact CG2-CB 4.39Å; I123-H144 WeakPolarHBondContact CG2-O 3.37Å; I123-F148 HydrophobicContact CB-CD2 4.25Å; I123-F148 HydrophobicContact CB-CE2 4.06Å; I123-F148 HydrophobicContact CD1-CD2 4.02Å; I123-F148 HydrophobicContact CD1-CE2 4.38Å; I123-F148 HydrophobicContact CG2-CD2 3.88Å; I123-F148 HydrophobicContact CG2-CE2 4.03Å
124	L	94.5	Very high	93.9	Very high	35 Å²	35	63.2 Å²	63.2	18%	0.183	32%	0.321	C	S	.	.	H	α-helix	trans	-60.4	-40.9	178.8	-70.1	172.7	0	0	0	113.1	C120 F121 R122 M127 P143 F148	C120-L124 WeakPolarHBondContact O-CG 3.42Å; C120-L124 PolarHBondContact O-N 3.08Å; F121-L124 HydrophobicContact CD1-CD1 4.33Å; F121-L124 PolarHBondContact O-N 2.91Å; R122-L124 VanDerWaalsContact C-N 3.35Å; R122-L124 PolarHBondContact O-N 3.49Å; L124-M127 HydrophobicContact CD2-CE 3.79Å; L124-P143 HydrophobicContact CD2-CB 4.14Å; L124-P143 HydrophobicContact CD2-CG 4.31Å; L124-F148 HydrophobicContact CD1-CZ 3.97Å; L124-F148 HydrophobicContact CD2-CE1 4.16Å; L124-F148 HydrophobicContact CD2-CE2 4.5Å; L124-F148 HydrophobicContact CD2-CZ 3.78Å; L124-F148 HydrophobicContact CG-CE2 4.22Å; L124-F148 HydrophobicContact CG-CZ 3.68Å
125	S	93.1	Very high	93.5	Very high	10 Å²	10	65.6 Å²	65.6	7%	0.07	34%	0.335	C	S	.	.	H	α-helix	trans	-73	-38.6	178.3	69.5	0	0	0	0	112.9	L59 F121 R122 I123 M127 R128 R129	L59-S125 WeakPolarHBondContact CD1-OG 3.39Å; L59-S125 WeakPolarHBondContact O-CB 2.86Å; F121-S125 WeakPolarHBondContact O-CB 3.35Å; F121-S125 PolarHBondContact O-N 3.45Å; F121-S125 PolarHBondContact O-OG 3.43Å; R122-S125 PolarHBondContact O-N 3.12Å; R122-S125 PolarHBondContact O-OG 2.78Å; I123-S125 VanDerWaalsContact C-N 3.33Å; I123-S125 PolarHBondContact O-N 2.75Å; S125-M127 PolarHBondContact O-N 3.47Å; S125-R128 PolarHBondContact O-N 3.48Å; S125-R129 PolarHBondContact O-N 3.47Å
126	A	93.5	Very high	93.1	Very high	62 Å²	62	66.2 Å²	66.2	51%	0.512	34%	0.339	S	S	.	.	H	α-helix	trans	-64.4	-31.3	-177.6	0	0	0	0	0	111.6	R122 I123 R128 R129	R122-A126 VanDerWaalsContact O-CB 3.26Å; R122-A126 WeakPolarHBondContact O-CB 3.35Å; R122-A126 PolarHBondContact O-N 2.91Å; I123-A126 PolarHBondContact O-N 2.77Å; A126-R128 PolarHBondContact O-N 3.46Å; A126-R128 VanDerWaalsContact O-N 3.17Å; A126-R129 PolarHBondContact O-N 3.31Å
127	M	93	Very high	92.8	Very high	70 Å²	70	66 Å²	66	35%	0.345	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.4	173	-70	-167.7	-70.2	0	0	114.2	I123 L124 S125 P143	I123-M127 WeakPolarHBondContact O-CG 3.47Å; I123-M127 PolarHBondContact O-N 2.89Å; L124-M127 HydrophobicContact CD2-CE 3.79Å; S125-M127 PolarHBondContact O-N 3.47Å; M127-P143 HydrophobicContact CE-CB 3.61Å; M127-P143 HydrophobicContact CE-CG 4.4Å; M127-P143 WeakPolarHBondContact SD-CA 3.33Å; M127-P143 HydrophobicContact SD-CB 4.11Å
128	R	92.7	Very high	92.4	Very high	41 Å²	41	70.6 Å²	70.6	16%	0.155	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	-7.4	-178.3	-64.8	-162.9	-169.7	153.4	26.9	113.5	V61 S125 A126 L136 T137 S139 H140	V61-R128 HydrophobicContact CB-CB 3.92Å; V61-R128 HydrophobicContact CG1-CB 3.92Å; V61-R128 HydrophobicContact CG2-CB 4.18Å; V61-R128 PolarHBondContact O-NH1 2.91Å; S125-R128 PolarHBondContact O-N 3.48Å; A126-R128 PolarHBondContact O-N 3.46Å; A126-R128 VanDerWaalsContact O-N 3.17Å; R128-L136 PolarHBondContact O-N 2.96Å; R128-T137 WeakPolarHBondContact CB-O 3.15Å; R128-T137 PolarHBondContact O-N 3.24Å; R128-S139 PolarHBondContact NE-O 2.93Å; R128-H140 PolarHBondContact NH2-CD2 2.76Å; R128-H140 VanDerWaalsContact NH2-CD2 3.28Å
129	R	92.4	Very high	91.9	Very high	74 Å²	74	71.5 Å²	71.5	28%	0.279	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-113.9	146.7	-177	-68.6	-178	179.6	-86.9	4.6	111	F58 L59 V61 S125 A126 G133 D134	F58-R129 PolarHBondContact O-NH2 3.13Å; L59-R129 PolarHBondContact O-NE 3.35Å; V61-R129 HydrophobicContact CG2-CG 3.82Å; S125-R129 PolarHBondContact O-N 3.47Å; A126-R129 PolarHBondContact O-N 3.31Å; R129-G133 PolarHBondContact NH1-O 2.92Å; R129-D134 CarbonylContact C-O 3.59Å; R129-D134 WeakPolarHBondContact CA-O 3.43Å
130	G	89.3	Confident	91.4	Very high	20 Å²	20	70 Å²	70	21%	0.206	37%	0.368	C	S	.	.			trans	-83.2	177.5	172.3	0	0	0	0	0	111.9	S132 G133 D134	G130-S132 PolarHBondContact O-N 3.26Å; G130-G133 PolarHBondContact O-N 3.47Å; G130-D134 PolarHBondContact N-O 3.27Å
131	Y	86.9	Confident	91.1	Very high	240 Å²	240	71.3 Å²	71.3	94%	0.941	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.4	177.3	-177	-98.8	0	0	0	112.7	G133	Y131-G133 PolarHBondContact O-N 2.9Å
132	S	88.5	Confident	91	Very high	101 Å²	101	70.5 Å²	70.5	71%	0.706	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-5.7	176.5	-50.8	0	0	0	0	114.2	G130 D134	G130-S132 PolarHBondContact O-N 3.26Å; S132-D134 VanDerWaalsContact C-N 3.31Å; S132-D134 WeakPolarHBondContact CB-OD2 3.42Å
133	G	87	Confident	90.9	Very high	32 Å²	32	63.3 Å²	63.3	33%	0.33	35%	0.352	S	S	.	.	S	Bend	trans	87.5	-9.1	-173.9	0	0	0	0	0	114.7	R129 G130 Y131	R129-G133 PolarHBondContact NH1-O 2.92Å; G130-G133 PolarHBondContact O-N 3.47Å; Y131-G133 PolarHBondContact O-N 2.9Å
134	D	90.6	Very high	90.8	Very high	107 Å²	107	67 Å²	67	57%	0.572	37%	0.369	S	S	*	.			trans	-61.3	145.3	176.4	-61.9	-44.5	0	0	0	111.8	R129 G130 S132 L136	R129-D134 CarbonylContact C-O 3.59Å; R129-D134 WeakPolarHBondContact CA-O 3.43Å; G130-D134 PolarHBondContact N-O 3.27Å; S132-D134 VanDerWaalsContact C-N 3.31Å; S132-D134 WeakPolarHBondContact CB-OD2 3.42Å; D134-L136 PolarHBondContact O-N 2.8Å
135	V	90.9	Very high	90.8	Very high	62 Å²	62	66.5 Å²	66.5	38%	0.376	37%	0.373	S	S	.	.	B	Isolated β-bridge	trans	-74.3	111.4	174.7	179	0	0	0	0	108.7	V61	V61-V135 HydrophobicContact CG1-CG1 3.59Å; V61-V135 HydrophobicContact CG1-CG2 4.13Å; V61-V135 HydrophobicContact CG2-CG2 3.89Å
136	L	90.3	Very high	90.8	Very high	129 Å²	129	67.8 Å²	67.8	68%	0.675	39%	0.387	S	S	*	.			trans	-84.2	-34.9	179.4	-67.9	179.1	0	0	0	112.2	R128 D134	R128-L136 PolarHBondContact O-N 2.96Å; D134-L136 PolarHBondContact O-N 2.8Å
137	T	91.1	Very high	90.8	Very high	49 Å²	49	68.3 Å²	68.3	30%	0.301	38%	0.376	S	S	.	.			trans	-154.3	146.7	-177.1	-175.5	0	0	0	0	112.1	R128 S139	R128-T137 WeakPolarHBondContact CB-O 3.15Å; R128-T137 PolarHBondContact O-N 3.24Å; T137-S139 WeakPolarHBondContact OG1-CB 3.4Å; T137-S139 PolarHBondContact OG1-N 2.66Å; T137-S139 PolarHBondContact OG1-OG 2.88Å
138	H	88.5	Confident	90.9	Very high	96 Å²	96	65 Å²	65	44%	0.444	36%	0.36	S	S	.	.			trans	-96.8	-1.8	168.3	-66.6	-85.1	0	0	0	112.5	Y62 S63	Y62-H138 PolarHBondContact O-ND1 3.34Å; S63-H138 WeakPolarHBondContact CB-O 3.18Å
139	S	88.1	Confident	90.9	Very high	71 Å²	71	66.2 Å²	66.2	50%	0.497	37%	0.369	S	S	.	.	S	Bend	trans	-68.7	154.9	176.1	70.8	0	0	0	0	111.8	R128 T137	R128-S139 PolarHBondContact NE-O 2.93Å; T137-S139 WeakPolarHBondContact OG1-CB 3.4Å; T137-S139 PolarHBondContact OG1-N 2.66Å; T137-S139 PolarHBondContact OG1-OG 2.88Å
140	H	86.6	Confident	91	Very high	39 Å²	39	68.5 Å²	68.5	18%	0.181	38%	0.379	C	S	.	.			trans	-87.7	146.9	173.9	-57.4	90.8	0	0	0	110.4	M1 S63 R128 W198 F203	M1-H140 PolarHBondContact N-NE2 3.11Å; S63-H140 VanDerWaalsContact CB-CE1 3.43Å; S63-H140 WeakPolarHBondContact CB-CE1 3.24Å; S63-H140 PolarHBondContact OG-CE1 3.46Å; S63-H140 PolarHBondContact OG-NE2 3.21Å; R128-H140 PolarHBondContact NH2-CD2 2.76Å; R128-H140 VanDerWaalsContact NH2-CD2 3.28Å; H140-W198 HydrophobicContact CB-CH2 3.47Å; H140-W198 VanDerWaalsContact CB-CH2 3.47Å; H140-W198 HydrophobicContact CB-CZ2 4.36Å; H140-W198 HydrophobicContact CB-CZ3 4.28Å; H140-W198 AromaticContact CD2-CH2 3.99Å; H140-W198 AromaticContact CG-CH2 3.41Å; H140-W198 VanDerWaalsContact CG-CH2 3.41Å; H140-W198 AromaticContact ND1-CH2 3.8Å; H140-W198 AromaticContact ND1-CZ2 3.92Å; H140-F203 HydrophobicContact CB-CZ 4.36Å; H140-F203 WeakPolarHBondContact O-CZ 3.31Å
141	G	89.9	Confident	91.2	Very high	31 Å²	31	67.5 Å²	67.5	32%	0.32	37%	0.369	S	S	.	.			trans	-132.5	171.4	167.3	0	0	0	0	0	109.8
142	I	93.5	Very high	91.5	Very high	23 Å²	23	56.2 Å²	56.2	12%	0.118	33%	0.325	C	S	.	.			trans	-81.5	122	175.8	-61.7	168.6	0	0	0	108.2	H144 F203 V206 Y207 R211	I142-H144 PolarHBondContact O-CD2 3.12Å; I142-F203 HydrophobicContact CD1-CB 3.77Å; I142-F203 HydrophobicContact CD1-CD2 4.18Å; I142-F203 HydrophobicContact CD1-CG 3.93Å; I142-F203 HydrophobicContact CG1-CB 4.26Å; I142-F203 HydrophobicContact CG1-CD2 3.7Å; I142-F203 HydrophobicContact CG1-CE2 4.14Å; I142-F203 HydrophobicContact CG1-CG 3.92Å; I142-V206 HydrophobicContact CD1-CG2 3.8Å; I142-Y207 HydrophobicContact CD1-CD2 4.01Å; I142-Y207 HydrophobicContact CG1-CD2 4.14Å; I142-Y207 HydrophobicContact CG2-CD2 4.29Å; I142-Y207 HydrophobicContact CG2-CE2 4.49Å; I142-R211 VanDerWaalsContact CG2-NH1 3.26Å
143	P	94.1	Very high	91.7	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	29%	0.291	C	S	.	.			trans	-67.4	140.8	175.4	27.4	-32.9	0	0	0	111.4	I123 L124 M127 F148 R211	I123-P143 HydrophobicContact CG2-CB 4.39Å; L124-P143 HydrophobicContact CD2-CB 4.14Å; L124-P143 HydrophobicContact CD2-CG 4.31Å; M127-P143 HydrophobicContact CE-CB 3.61Å; M127-P143 HydrophobicContact CE-CG 4.4Å; M127-P143 WeakPolarHBondContact SD-CA 3.33Å; M127-P143 HydrophobicContact SD-CB 4.11Å; P143-F148 HydrophobicContact CB-CB 4.04Å; P143-F148 HydrophobicContact CB-CD1 3.59Å; P143-F148 HydrophobicContact CB-CD2 4.01Å; P143-F148 HydrophobicContact CB-CE1 3.92Å; P143-F148 HydrophobicContact CB-CE2 4.3Å; P143-F148 HydrophobicContact CB-CG 3.63Å; P143-F148 HydrophobicContact CB-CZ 4.28Å; P143-F148 HydrophobicContact CG-CB 4.34Å; P143-F148 HydrophobicContact CG-CD1 3.37Å; P143-F148 HydrophobicContact CG-CE1 3.67Å; P143-F148 HydrophobicContact CG-CG 3.92Å; P143-F148 HydrophobicContact CG-CZ 4.46Å; P143-R211 PolarHBondContact O-NH1 3.37Å; P143-R211 PolarHBondContact O-NH2 3.08Å
144	H	93.2	Very high	92.1	Very high	113 Å²	113	49.9 Å²	49.9	52%	0.523	28%	0.276	S	S	.	.			trans	-131.5	152.3	174.4	-71.2	-83.8	0	0	0	109.9	I123 I142 D149 R211	I123-H144 WeakPolarHBondContact CG2-O 3.37Å; I142-H144 PolarHBondContact O-CD2 3.12Å; H144-D149 IonicContact ND1-OD1 3.29Å; H144-R211 PolarHBondContact CE1-NH2 2.85Å; H144-R211 PolarHBondContact ND1-NH2 3.24Å
145	G	93.3	Very high	92.3	Very high	26 Å²	26	45.9 Å²	45.9	27%	0.268	25%	0.253	S	S	.	.	S	Bend	trans	101.4	143.1	177.9	0	0	0	0	0	114	W147 F148 D149	G145-W147 PolarHBondContact O-N 2.88Å; G145-F148 WeakPolarHBondContact O-CB 3.34Å; G145-F148 PolarHBondContact O-N 3.32Å; G145-D149 WeakPolarHBondContact CA-OD2 3.33Å; G145-D149 PolarHBondContact N-OD1 3.36Å; G145-D149 PolarHBondContact N-OD2 2.7Å
146	G	92.6	Very high	92.6	Very high	36 Å²	36	44.7 Å²	44.7	37%	0.371	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	60.6	-128	179.5	0	0	0	0	0	111.2	F148	G146-F148 VanDerWaalsContact C-N 3.27Å; G146-F148 PolarHBondContact O-N 3.02Å
147	W	94.2	Very high	92.8	Very high	73 Å²	73	40.2 Å²	40.2	28%	0.277	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-76.8	-14.1	-177.5	-76	58.5	0	0	0	113.7	W112 G145 D149 Y150 V151 P154 F157 F158 P216	W112-W147 HydrophobicContact CZ2-CZ2 4.45Å; G145-W147 PolarHBondContact O-N 2.88Å; W147-D149 PolarHBondContact O-N 3.28Å; W147-Y150 PolarHBondContact O-N 2.85Å; W147-V151 PolarHBondContact O-N 3.45Å; W147-V151 VanDerWaalsContact O-N 3.08Å; W147-P154 HydrophobicContact CB-CB 3.45Å; W147-P154 VanDerWaalsContact CB-CB 3.45Å; W147-P154 HydrophobicContact CB-CG 3.91Å; W147-P154 HydrophobicContact CG-CB 4.42Å; W147-F157 HydrophobicContact CE3-CD1 4.36Å; W147-F157 HydrophobicContact CE3-CE1 4.47Å; W147-F157 AromaticContact CH2-CE1 3.95Å; W147-F157 HydrophobicContact CH2-CE1 3.95Å; W147-F157 AromaticContact CZ3-CD1 3.85Å; W147-F157 HydrophobicContact CZ3-CD1 3.85Å; W147-F157 AromaticContact CZ3-CE1 3.55Å; W147-F157 HydrophobicContact CZ3-CE1 3.55Å; W147-F158 HydrophobicContact CB-CE2 4.43Å; W147-F158 HydrophobicContact CD2-CE2 4.12Å; W147-F158 AromaticContact CD2-CZ 3.54Å; W147-F158 HydrophobicContact CD2-CZ 3.54Å; W147-F158 AromaticContact CE2-CZ 3.64Å; W147-F158 HydrophobicContact CE3-CE2 4.41Å; W147-F158 AromaticContact CE3-CZ 3.87Å; W147-F158 HydrophobicContact CE3-CZ 3.87Å; W147-F158 HydrophobicContact CG-CE2 4.1Å; W147-F158 AromaticContact CG-CZ 3.89Å; W147-F158 HydrophobicContact CG-CZ 3.89Å; W147-F158 HydrophobicContact CH2-CZ 4.36Å; W147-F158 HydrophobicContact CZ2-CE1 4.4Å; W147-F158 HydrophobicContact CZ2-CZ 4.07Å; W147-F158 HydrophobicContact CZ3-CZ 4.26Å; W147-F158 AromaticContact NE1-CZ 4Å; W147-P216 HydrophobicContact CE3-CG 3.89Å; W147-P216 HydrophobicContact CH2-CG 4.36Å; W147-P216 HydrophobicContact CZ3-CG 3.49Å; W147-P216 VanDerWaalsContact CZ3-CG 3.49Å
148	F	95.1	Very high	93.2	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-68.3	-18	177.1	-76.8	-71.7	0	0	0	113	C120 I123 L124 P143 G145 G146 Y150 V151 A152 P154 R211	C120-F148 HydrophobicContact CB-CE2 3.74Å; C120-F148 HydrophobicContact CB-CZ 3.98Å; I123-F148 HydrophobicContact CB-CD2 4.25Å; I123-F148 HydrophobicContact CB-CE2 4.06Å; I123-F148 HydrophobicContact CD1-CD2 4.02Å; I123-F148 HydrophobicContact CD1-CE2 4.38Å; I123-F148 HydrophobicContact CG2-CD2 3.88Å; I123-F148 HydrophobicContact CG2-CE2 4.03Å; L124-F148 HydrophobicContact CD1-CZ 3.97Å; L124-F148 HydrophobicContact CD2-CE1 4.16Å; L124-F148 HydrophobicContact CD2-CE2 4.5Å; L124-F148 HydrophobicContact CD2-CZ 3.78Å; L124-F148 HydrophobicContact CG-CE2 4.22Å; L124-F148 HydrophobicContact CG-CZ 3.68Å; P143-F148 HydrophobicContact CB-CB 4.04Å; P143-F148 HydrophobicContact CB-CD1 3.59Å; P143-F148 HydrophobicContact CB-CD2 4.01Å; P143-F148 HydrophobicContact CB-CE1 3.92Å; P143-F148 HydrophobicContact CB-CE2 4.3Å; P143-F148 HydrophobicContact CB-CG 3.63Å; P143-F148 HydrophobicContact CB-CZ 4.28Å; P143-F148 HydrophobicContact CG-CB 4.34Å; P143-F148 HydrophobicContact CG-CD1 3.37Å; P143-F148 HydrophobicContact CG-CE1 3.67Å; P143-F148 HydrophobicContact CG-CG 3.92Å; P143-F148 HydrophobicContact CG-CZ 4.46Å; G145-F148 WeakPolarHBondContact O-CB 3.34Å; G145-F148 PolarHBondContact O-N 3.32Å; G146-F148 VanDerWaalsContact C-N 3.27Å; G146-F148 PolarHBondContact O-N 3.02Å; F148-Y150 VanDerWaalsContact C-N 3.27Å; F148-Y150 PolarHBondContact O-N 3.46Å; F148-V151 WeakPolarHBondContact CA-O 3.49Å; F148-A152 WeakPolarHBondContact CE1-O 3.47Å; F148-P154 VanDerWaalsContact CD1-CD 3.43Å; F148-P154 HydrophobicContact CD1-CG 3.63Å; F148-P154 HydrophobicContact CD2-CG 4.11Å; F148-P154 VanDerWaalsContact CE1-CD 3.43Å; F148-P154 HydrophobicContact CE1-CG 3.69Å; F148-P154 HydrophobicContact CE2-CG 4.15Å; F148-P154 HydrophobicContact CG-CG 3.85Å; F148-P154 HydrophobicContact CZ-CG 3.95Å; F148-R211 VanDerWaalsContact O-CD 3.31Å; F148-R211 WeakPolarHBondContact O-CD 3.3Å; F148-R211 PolarHBondContact O-NE 3.22Å; F148-R211 PolarHBondContact O-NH1 3.34Å; F148-R211 PolarHBondContact O-NH2 3.26Å
149	D	93.1	Very high	93.5	Very high	67 Å²	67	34.3 Å²	34.3	36%	0.358	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-72.5	-23.1	177.6	-62.5	-32.9	0	0	0	112.2	H144 G145 W147 R211	H144-D149 IonicContact ND1-OD1 3.29Å; G145-D149 WeakPolarHBondContact CA-OD2 3.33Å; G145-D149 PolarHBondContact N-OD1 3.36Å; G145-D149 PolarHBondContact N-OD2 2.7Å; W147-D149 PolarHBondContact O-N 3.28Å; D149-R211 IonicContact OD1-NH2 3.94Å
150	Y	93.4	Very high	94	Very high	121 Å²	121	31.6 Å²	31.6	48%	0.475	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-30	-178.4	-51	-77	0	0	0	113.4	W147 F148 R211 T212	W147-Y150 PolarHBondContact O-N 2.85Å; F148-Y150 VanDerWaalsContact C-N 3.27Å; F148-Y150 PolarHBondContact O-N 3.46Å; Y150-R211 WeakPolarHBondContact O-CA 3.13Å; Y150-T212 PolarHBondContact O-N 2.92Å; Y150-T212 VanDerWaalsContact O-N 3.08Å; Y150-T212 PolarHBondContact O-OG1 3Å
151	V	94.4	Very high	94.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-132.7	139.2	-169.6	-178.2	0	0	0	0	109.9	W147 F148 P154 T212 A213 L214 P216	W147-V151 PolarHBondContact O-N 3.45Å; W147-V151 VanDerWaalsContact O-N 3.08Å; F148-V151 WeakPolarHBondContact CA-O 3.49Å; V151-P154 HydrophobicContact CB-CB 4.39Å; V151-P154 WeakPolarHBondContact O-CD 3.39Å; V151-T212 CarbonylContact C-O 3.58Å; V151-T212 WeakPolarHBondContact CA-O 3.47Å; V151-A213 VanDerWaalsContact CG1-O 3.3Å; V151-A213 WeakPolarHBondContact CG1-O 3.17Å; V151-L214 VanDerWaalsContact CG1-C 3.48Å; V151-L214 VanDerWaalsContact CG1-CA 3.43Å; V151-L214 VanDerWaalsContact CG1-O 3.32Å; V151-L214 WeakPolarHBondContact CG1-O 3.16Å; V151-P216 HydrophobicContact CG2-CB 4.21Å; V151-P216 HydrophobicContact CG2-CG 3.66Å
152	A	93.5	Very high	94.9	Very high	2 Å²	2	29.3 Å²	29.3	2%	0.017	15%	0.149	C	C	.	.	S	Bend	trans	-65	-44.1	177	0	0	0	0	0	112.3	F148 R196 Y207 T212	F148-A152 WeakPolarHBondContact CE1-O 3.47Å; A152-R196 HydrophobicContact CB-CB 3.92Å; A152-R196 HydrophobicContact CB-CG 4.15Å; A152-Y207 WeakPolarHBondContact CB-OH 3.4Å; A152-T212 PolarHBondContact N-O 3.46Å
153	C	92.7	Very high	95.1	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.007	14%	0.144	C	C	.	.			trans	-130	61.6	-174	-55.3	0	0	0	0	113.4	H155 F156 A192 T195 A213	C153-H155 PolarHBondContact O-N 3.35Å; C153-H155 VanDerWaalsContact O-N 3.16Å; C153-F156 HydrophobicContact CB-CB 4.33Å; C153-F156 HydrophobicContact CB-CD2 3.39Å; C153-F156 HydrophobicContact CB-CE2 3.92Å; C153-F156 HydrophobicContact CB-CG 4.07Å; C153-F156 WeakPolarHBondContact O-CB 3.28Å; C153-F156 PolarHBondContact O-N 3.17Å; C153-A192 HydrophobicContact CB-CB 4.27Å; C153-T195 VanDerWaalsContact SG-CB 3.53Å; C153-T195 WeakPolarHBondContact SG-CG2 3.15Å; C153-A213 PolarHBondContact N-O 3.33Å
154	P	96	Very high	95.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.4	-27.9	-178.9	26.2	-37.3	0	0	0	113.7	W147 F148 V151 F156 F157 F158	W147-P154 HydrophobicContact CB-CB 3.45Å; W147-P154 VanDerWaalsContact CB-CB 3.45Å; W147-P154 HydrophobicContact CB-CG 3.91Å; W147-P154 HydrophobicContact CG-CB 4.42Å; F148-P154 VanDerWaalsContact CD1-CD 3.43Å; F148-P154 HydrophobicContact CD1-CG 3.63Å; F148-P154 HydrophobicContact CD2-CG 4.11Å; F148-P154 VanDerWaalsContact CE1-CD 3.43Å; F148-P154 HydrophobicContact CE1-CG 3.69Å; F148-P154 HydrophobicContact CE2-CG 4.15Å; F148-P154 HydrophobicContact CG-CG 3.85Å; F148-P154 HydrophobicContact CZ-CG 3.95Å; V151-P154 HydrophobicContact CB-CB 4.39Å; V151-P154 WeakPolarHBondContact O-CD 3.39Å; P154-F156 VanDerWaalsContact C-N 3.27Å; P154-F156 PolarHBondContact O-N 3.12Å; P154-F157 WeakPolarHBondContact O-CB 3.3Å; P154-F157 PolarHBondContact O-N 3.13Å; P154-F157 VanDerWaalsContact O-N 3.12Å; P154-F158 HydrophobicContact CB-CE2 4.12Å; P154-F158 WeakPolarHBondContact O-CD2 3.44Å; P154-F158 PolarHBondContact O-N 3.11Å
155	H	95.1	Very high	95.6	Very high	22 Å²	22	25.9 Å²	25.9	10%	0.102	13%	0.134	C	C	.	.	H	α-helix	trans	-63.7	-30.3	175.3	59.9	-80.2	0	0	0	112.9	Q117 C120 F121 C153 E159	Q117-H155 HydrophobicContact CG-CB 4.01Å; Q117-H155 PolarHBondContact NE2-O 3.13Å; C120-H155 HydrophobicContact CB-CB 3.74Å; F121-H155 HydrophobicContact CE2-CB 4.17Å; C153-H155 PolarHBondContact O-N 3.35Å; C153-H155 VanDerWaalsContact O-N 3.16Å; H155-E159 PolarHBondContact O-N 3.17Å; H155-E159 VanDerWaalsContact O-N 3.11Å
156	F	95.6	Very high	95.8	Very high	37 Å²	37	24.7 Å²	24.7	16%	0.162	12%	0.121	C	C	.	.	H	α-helix	trans	-70	-37.2	172.8	-69.1	-24	0	0	0	111.6	C153 P154 E159 I160 Q188 A191 A192 L214	C153-F156 HydrophobicContact CB-CB 4.33Å; C153-F156 HydrophobicContact CB-CD2 3.39Å; C153-F156 HydrophobicContact CB-CE2 3.92Å; C153-F156 HydrophobicContact CB-CG 4.07Å; C153-F156 WeakPolarHBondContact O-CB 3.28Å; C153-F156 PolarHBondContact O-N 3.17Å; P154-F156 VanDerWaalsContact C-N 3.27Å; P154-F156 PolarHBondContact O-N 3.12Å; F156-E159 WeakPolarHBondContact O-CB 3.33Å; F156-E159 PolarHBondContact O-N 3.28Å; F156-I160 PolarHBondContact O-N 3.47Å; F156-Q188 HydrophobicContact CB-CB 4.09Å; F156-Q188 HydrophobicContact CB-CG 4.38Å; F156-A191 HydrophobicContact CD2-CB 4.14Å; F156-A191 HydrophobicContact CE2-CB 3.65Å; F156-A191 HydrophobicContact CZ-CB 3.97Å; F156-A192 HydrophobicContact CD2-CB 4.01Å; F156-L214 HydrophobicContact CB-CD1 3.51Å
157	F	96.1	Very high	96	Very high	36 Å²	36	25.2 Å²	25.2	16%	0.158	11%	0.112	C	C	.	.	H	α-helix	trans	-63.3	-46.4	175.8	174.1	-110	0	0	0	111.3	W147 P154 E159 I160 I161 L214 I215	W147-F157 HydrophobicContact CE3-CD1 4.36Å; W147-F157 HydrophobicContact CE3-CE1 4.47Å; W147-F157 AromaticContact CH2-CE1 3.95Å; W147-F157 HydrophobicContact CH2-CE1 3.95Å; W147-F157 AromaticContact CZ3-CD1 3.85Å; W147-F157 HydrophobicContact CZ3-CD1 3.85Å; W147-F157 AromaticContact CZ3-CE1 3.55Å; W147-F157 HydrophobicContact CZ3-CE1 3.55Å; P154-F157 WeakPolarHBondContact O-CB 3.3Å; P154-F157 PolarHBondContact O-N 3.13Å; P154-F157 VanDerWaalsContact O-N 3.12Å; F157-E159 VanDerWaalsContact C-N 3.28Å; F157-E159 PolarHBondContact O-N 2.9Å; F157-I160 WeakPolarHBondContact O-CB 3.46Å; F157-I160 PolarHBondContact O-N 2.86Å; F157-I160 VanDerWaalsContact O-N 3.12Å; F157-I161 HydrophobicContact CD1-CD1 4.05Å; F157-I161 HydrophobicContact CE1-CD1 3.45Å; F157-I161 VanDerWaalsContact CE1-CD1 3.45Å; F157-I161 HydrophobicContact CE1-CG1 4.41Å; F157-I161 HydrophobicContact CE2-CD1 4.28Å; F157-I161 HydrophobicContact CZ-CD1 3.6Å; F157-I161 HydrophobicContact CZ-CG1 4.33Å; F157-I161 PolarHBondContact O-N 3.33Å; F157-I161 VanDerWaalsContact O-N 3.11Å; F157-L214 HydrophobicContact CB-CD1 3.8Å; F157-L214 HydrophobicContact CB-CG 4.08Å; F157-L214 WeakPolarHBondContact CB-O 3.26Å; F157-I215 HydrophobicContact CD2-CG1 4.07Å; F157-I215 HydrophobicContact CE2-CG1 4.11Å
158	F	97.5	Very high	96.1	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.9	-28.7	176	-64.5	-58.7	0	0	0	113.3	W112 A113 K116 Q117 W147 P154 I160 I161 I162	W112-F158 HydrophobicContact CH2-CD1 4.35Å; W112-F158 AromaticContact CH2-CE1 3.69Å; W112-F158 HydrophobicContact CH2-CE1 3.69Å; W112-F158 HydrophobicContact CZ2-CE1 4.11Å; W112-F158 HydrophobicContact CZ3-CD1 4.3Å; W112-F158 HydrophobicContact CZ3-CE1 4.09Å; A113-F158 HydrophobicContact CB-CD1 4.42Å; K116-F158 HydrophobicContact CB-CD1 3.8Å; K116-F158 HydrophobicContact CB-CD2 3.86Å; K116-F158 HydrophobicContact CB-CE1 3.56Å; K116-F158 HydrophobicContact CB-CE2 3.64Å; K116-F158 HydrophobicContact CB-CG 3.96Å; K116-F158 HydrophobicContact CB-CZ 3.49Å; K116-F158 VanDerWaalsContact CB-CZ 3.49Å; K116-F158 HydrophobicContact CD-CZ 4.18Å; K116-F158 HydrophobicContact CG-CE1 4.01Å; K116-F158 HydrophobicContact CG-CZ 3.97Å; Q117-F158 HydrophobicContact CB-CB 3.66Å; Q117-F158 HydrophobicContact CB-CD2 4.45Å; Q117-F158 HydrophobicContact CB-CG 4.37Å; Q117-F158 HydrophobicContact CG-CB 3.97Å; W147-F158 HydrophobicContact CB-CE2 4.43Å; W147-F158 HydrophobicContact CD2-CE2 4.12Å; W147-F158 AromaticContact CD2-CZ 3.54Å; W147-F158 HydrophobicContact CD2-CZ 3.54Å; W147-F158 AromaticContact CE2-CZ 3.64Å; W147-F158 HydrophobicContact CE3-CE2 4.41Å; W147-F158 AromaticContact CE3-CZ 3.87Å; W147-F158 HydrophobicContact CE3-CZ 3.87Å; W147-F158 HydrophobicContact CG-CE2 4.1Å; W147-F158 AromaticContact CG-CZ 3.89Å; W147-F158 HydrophobicContact CG-CZ 3.89Å; W147-F158 HydrophobicContact CH2-CZ 4.36Å; W147-F158 HydrophobicContact CZ2-CE1 4.4Å; W147-F158 HydrophobicContact CZ2-CZ 4.07Å; W147-F158 HydrophobicContact CZ3-CZ 4.26Å; W147-F158 AromaticContact NE1-CZ 4Å; P154-F158 HydrophobicContact CB-CE2 4.12Å; P154-F158 WeakPolarHBondContact O-CD2 3.44Å; P154-F158 PolarHBondContact O-N 3.11Å; F158-I160 VanDerWaalsContact C-N 3.34Å; F158-I161 HydrophobicContact CD1-CD1 4.34Å; F158-I161 PolarHBondContact O-N 3Å; F158-I162 WeakPolarHBondContact O-CD1 3.41Å; F158-I162 VanDerWaalsContact O-CG1 3.25Å; F158-I162 WeakPolarHBondContact O-CG1 3.42Å; F158-I162 PolarHBondContact O-N 2.97Å
159	E	96.5	Very high	96.1	Very high	20 Å²	20	22.5 Å²	22.5	9%	0.093	10%	0.103	C	C	.	.	H	α-helix	trans	-60.6	-47	170.9	-165.5	77.7	-160.9	0	0	110	Q48 R52 Q117 H155 F156 F157 I161 I162 Y163 V184 Q188	Q48-E159 PolarHBondContact NE2-OE1 2.9Å; Q48-E159 PolarHBondContact NE2-OE2 3.38Å; R52-E159 IonicContact CZ-OE2 3.15Å; R52-E159 IonicContact NH1-OE2 3.86Å; R52-E159 PolarHBondContact NH1-OE2 3.47Å; Q117-E159 VanDerWaalsContact NE2-CB 3.33Å; Q117-E159 PolarHBondContact NE2-OE2 2.87Å; Q117-E159 PolarHBondContact OE1-OE2 2.78Å; H155-E159 PolarHBondContact O-N 3.17Å; H155-E159 VanDerWaalsContact O-N 3.11Å; F156-E159 WeakPolarHBondContact O-CB 3.33Å; F156-E159 PolarHBondContact O-N 3.28Å; F157-E159 VanDerWaalsContact C-N 3.28Å; F157-E159 PolarHBondContact O-N 2.9Å; E159-I161 VanDerWaalsContact C-N 3.31Å; E159-I161 PolarHBondContact O-N 3.04Å; E159-I162 WeakPolarHBondContact O-CB 3.04Å; E159-I162 PolarHBondContact O-N 3.46Å; E159-I162 VanDerWaalsContact O-N 3.08Å; E159-Y163 HydrophobicContact CG-CD2 4.27Å; E159-Y163 HydrophobicContact CG-CE2 3.96Å; E159-Y163 WeakPolarHBondContact O-CD2 3.34Å; E159-Y163 PolarHBondContact O-N 3.47Å; E159-Y163 VanDerWaalsContact O-N 3.17Å; E159-Y163 WeakPolarHBondContact OE1-CE2 3.3Å; E159-V184 HydrophobicContact CG-CG1 4.27Å; E159-Q188 HydrophobicContact CB-CG 4.46Å
160	I	97.1	Very high	96	Very high	14 Å²	14	19.3 Å²	19.3	7%	0.072	9%	0.086	C	C	.	.	H	α-helix	trans	-58.4	-45.8	178.4	-62.9	166.3	0	0	0	110.7	F156 F157 F158 I162 Y163 I164 V184 T185 Q188 L214	F156-I160 PolarHBondContact O-N 3.47Å; F157-I160 WeakPolarHBondContact O-CB 3.46Å; F157-I160 PolarHBondContact O-N 2.86Å; F157-I160 VanDerWaalsContact O-N 3.12Å; F158-I160 VanDerWaalsContact C-N 3.34Å; I160-I162 VanDerWaalsContact C-N 3.27Å; I160-I162 PolarHBondContact O-N 3.03Å; I160-Y163 PolarHBondContact O-N 3.36Å; I160-I164 HydrophobicContact CG2-CD1 3.77Å; I160-I164 HydrophobicContact CG2-CG1 4.39Å; I160-I164 WeakPolarHBondContact O-CG1 3.29Å; I160-I164 PolarHBondContact O-N 3.26Å; I160-V184 HydrophobicContact CG1-CG1 4.45Å; I160-T185 HydrophobicContact CD1-CG2 4.26Å; I160-Q188 HydrophobicContact CD1-CB 3.86Å; I160-Q188 HydrophobicContact CG1-CB 3.96Å; I160-Q188 HydrophobicContact CG1-CG 4.14Å; I160-L214 HydrophobicContact CD1-CD1 4.46Å; I160-L214 HydrophobicContact CD1-CD2 3.7Å
161	I	98.1	Very high	96	Very high	22 Å²	22	16.4 Å²	16.4	11%	0.113	8%	0.078	C	C	.	.	H	α-helix	trans	-60.2	-38	177.4	-64.4	-176	0	0	0	111.4	L109 W112 A113 F157 F158 E159 Y163 I164 S165	L109-I161 HydrophobicContact CD1-CG2 3.84Å; L109-I161 HydrophobicContact CD2-CG2 3.96Å; L109-I161 HydrophobicContact CG-CG2 3.68Å; W112-I161 HydrophobicContact CH2-CD1 4.3Å; W112-I161 HydrophobicContact CZ3-CD1 3.79Å; W112-I161 HydrophobicContact CZ3-CG2 4.27Å; A113-I161 HydrophobicContact CB-CB 3.99Å; A113-I161 HydrophobicContact CB-CG2 3.6Å; F157-I161 HydrophobicContact CD1-CD1 4.05Å; F157-I161 HydrophobicContact CE1-CD1 3.45Å; F157-I161 VanDerWaalsContact CE1-CD1 3.45Å; F157-I161 HydrophobicContact CE1-CG1 4.41Å; F157-I161 HydrophobicContact CE2-CD1 4.28Å; F157-I161 HydrophobicContact CZ-CD1 3.6Å; F157-I161 HydrophobicContact CZ-CG1 4.33Å; F157-I161 PolarHBondContact O-N 3.33Å; F157-I161 VanDerWaalsContact O-N 3.11Å; F158-I161 HydrophobicContact CD1-CD1 4.34Å; F158-I161 PolarHBondContact O-N 3Å; E159-I161 VanDerWaalsContact C-N 3.31Å; E159-I161 PolarHBondContact O-N 3.04Å; I161-Y163 PolarHBondContact O-N 3.45Å; I161-I164 PolarHBondContact O-N 3.24Å; I161-S165 VanDerWaalsContact O-CB 3.29Å; I161-S165 WeakPolarHBondContact O-CB 3.24Å; I161-S165 PolarHBondContact O-N 2.83Å; I161-S165 PolarHBondContact O-OG 3.18Å
162	I	98.5	Very high	95.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.9	-45.5	176.5	-72.5	161.2	0	0	0	111.1	Q48 F110 A113 F158 E159 I160 S165 I166	Q48-I162 HydrophobicContact CG-CG2 4.28Å; F110-I162 HydrophobicContact CD2-CG2 3.82Å; F110-I162 HydrophobicContact CE2-CG2 3.6Å; A113-I162 HydrophobicContact CB-CD1 4.43Å; A113-I162 HydrophobicContact CB-CG1 3.71Å; F158-I162 WeakPolarHBondContact O-CD1 3.41Å; F158-I162 VanDerWaalsContact O-CG1 3.25Å; F158-I162 WeakPolarHBondContact O-CG1 3.42Å; F158-I162 PolarHBondContact O-N 2.97Å; E159-I162 WeakPolarHBondContact O-CB 3.04Å; E159-I162 PolarHBondContact O-N 3.46Å; E159-I162 VanDerWaalsContact O-N 3.08Å; I160-I162 VanDerWaalsContact C-N 3.27Å; I160-I162 PolarHBondContact O-N 3.03Å; I162-S165 WeakPolarHBondContact CA-OG 3.44Å; I162-S165 PolarHBondContact O-N 2.66Å; I162-S165 PolarHBondContact O-OG 2.94Å; I162-I166 PolarHBondContact O-N 2.97Å
163	Y	97.9	Very high	95.5	Very high	5 Å²	5	24.1 Å²	24.1	2%	0.02	11%	0.114	C	C	.	.	H	α-helix	trans	-68.3	-37.7	177.8	-78	-99.4	0	0	0	112.4	F45 H78 V82 E159 I160 I161 S165 I166 W167 W177 V180 V184	F45-Y163 HydrophobicContact CE2-CE1 4.33Å; H78-Y163 AromaticContact NE2-CE1 3.99Å; H78-Y163 AromaticContact NE2-CZ 3.65Å; H78-Y163 PolarHBondContact NE2-OH 2.92Å; V82-Y163 HydrophobicContact CG1-CE1 4.23Å; V82-Y163 HydrophobicContact CG2-CE1 4.33Å; E159-Y163 HydrophobicContact CG-CD2 4.27Å; E159-Y163 HydrophobicContact CG-CE2 3.96Å; E159-Y163 WeakPolarHBondContact O-CD2 3.34Å; E159-Y163 PolarHBondContact O-N 3.47Å; E159-Y163 VanDerWaalsContact O-N 3.17Å; E159-Y163 WeakPolarHBondContact OE1-CE2 3.3Å; I160-Y163 PolarHBondContact O-N 3.36Å; I161-Y163 PolarHBondContact O-N 3.45Å; Y163-S165 VanDerWaalsContact C-N 3.29Å; Y163-S165 PolarHBondContact O-N 3.46Å; Y163-I166 PolarHBondContact O-N 3.17Å; Y163-W167 PolarHBondContact O-N 3.35Å; Y163-W167 VanDerWaalsContact O-N 3.14Å; Y163-W177 HydrophobicContact CD1-CH2 4.09Å; Y163-W177 AromaticContact CD1-CZ2 3.65Å; Y163-W177 HydrophobicContact CD1-CZ2 3.65Å; Y163-W177 HydrophobicContact CE1-CH2 4.3Å; Y163-W177 HydrophobicContact CE1-CZ2 4.31Å; Y163-W177 HydrophobicContact CG-CZ2 4.42Å; Y163-W177 PolarHBondContact O-NE1 3.05Å; Y163-V180 HydrophobicContact CD1-CG1 3.59Å; Y163-V180 HydrophobicContact CE1-CG1 3.62Å; Y163-V184 HydrophobicContact CD1-CG2 3.87Å; Y163-V184 HydrophobicContact CD2-CB 4.35Å; Y163-V184 HydrophobicContact CD2-CG1 3.79Å; Y163-V184 HydrophobicContact CD2-CG2 4.05Å; Y163-V184 HydrophobicContact CE1-CG2 3.77Å; Y163-V184 HydrophobicContact CE2-CG1 4.09Å; Y163-V184 HydrophobicContact CE2-CG2 3.97Å; Y163-V184 HydrophobicContact CG-CB 4.34Å; Y163-V184 HydrophobicContact CG-CG1 4.22Å; Y163-V184 HydrophobicContact CG-CG2 4Å
164	I	98.1	Very high	95.2	Very high	61 Å²	61	33.9 Å²	33.9	31%	0.313	15%	0.151	S	C	.	.	H	α-helix	trans	-61.6	-39.9	172.2	-67.8	171	0	0	0	110.5	I160 I161 I166 W167 L168 V181	I160-I164 HydrophobicContact CG2-CD1 3.77Å; I160-I164 HydrophobicContact CG2-CG1 4.39Å; I160-I164 WeakPolarHBondContact O-CG1 3.29Å; I160-I164 PolarHBondContact O-N 3.26Å; I161-I164 PolarHBondContact O-N 3.24Å; I164-I166 VanDerWaalsContact C-N 3.33Å; I164-I166 PolarHBondContact O-N 3.32Å; I164-W167 CarbonylContact O-C 3.49Å; I164-W167 WeakPolarHBondContact O-CA 3.35Å; I164-W167 VanDerWaalsContact O-CB 3.25Å; I164-W167 WeakPolarHBondContact O-CB 3.44Å; I164-W167 PolarHBondContact O-N 3.01Å; I164-L168 WeakPolarHBondContact O-CG 3.09Å; I164-L168 PolarHBondContact O-N 2.86Å; I164-V181 HydrophobicContact CG1-CG1 3.82Å
165	S	98.5	Very high	94.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-65	-35.4	-179.2	76.6	0	0	0	0	113.2	G106 F110 I161 I162 Y163 W167 L168 C169	G106-S165 WeakPolarHBondContact O-CB 3.43Å; F110-S165 VanDerWaalsContact CA-OG 3.31Å; F110-S165 WeakPolarHBondContact CA-OG 3.29Å; F110-S165 VanDerWaalsContact CB-OG 3.25Å; F110-S165 WeakPolarHBondContact CB-OG 3.36Å; I161-S165 VanDerWaalsContact O-CB 3.29Å; I161-S165 WeakPolarHBondContact O-CB 3.24Å; I161-S165 PolarHBondContact O-N 2.83Å; I161-S165 PolarHBondContact O-OG 3.18Å; I162-S165 WeakPolarHBondContact CA-OG 3.44Å; I162-S165 PolarHBondContact O-N 2.66Å; I162-S165 PolarHBondContact O-OG 2.94Å; Y163-S165 VanDerWaalsContact C-N 3.29Å; Y163-S165 PolarHBondContact O-N 3.46Å; S165-W167 VanDerWaalsContact C-N 3.33Å; S165-L168 WeakPolarHBondContact O-CB 3.46Å; S165-L168 PolarHBondContact O-N 3.34Å; S165-C169 PolarHBondContact O-N 2.88Å; S165-C169 VanDerWaalsContact O-N 3.12Å; S165-C169 PolarHBondContact O-SG 3.16Å
166	I	97.2	Very high	94.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	15%	0.15	C	C	.	.	H	α-helix	trans	-68.9	-35.9	171.7	-63.8	170.8	0	0	0	110.2	C41 L44 F45 F110 I162 Y163 I164 L168 C169 Q170 W177	C41-I166 HydrophobicContact CB-CG2 4.07Å; L44-I166 HydrophobicContact CB-CD1 4.5Å; L44-I166 HydrophobicContact CB-CG1 4.27Å; L44-I166 HydrophobicContact CD1-CG1 4.46Å; F45-I166 HydrophobicContact CB-CD1 4.4Å; F45-I166 HydrophobicContact CD2-CD1 4.34Å; F110-I166 HydrophobicContact CD2-CD1 4.45Å; F110-I166 HydrophobicContact CD2-CG1 4.14Å; F110-I166 HydrophobicContact CE2-CD1 4.25Å; F110-I166 HydrophobicContact CE2-CG1 4.41Å; I162-I166 PolarHBondContact O-N 2.97Å; Y163-I166 PolarHBondContact O-N 3.17Å; I164-I166 VanDerWaalsContact C-N 3.33Å; I164-I166 PolarHBondContact O-N 3.32Å; I166-L168 VanDerWaalsContact C-N 3.34Å; I166-L168 PolarHBondContact O-N 3.38Å; I166-C169 WeakPolarHBondContact O-CA 3.2Å; I166-C169 VanDerWaalsContact O-CB 3.31Å; I166-C169 WeakPolarHBondContact O-CB 3.3Å; I166-C169 PolarHBondContact O-N 3.27Å; I166-C169 VanDerWaalsContact O-N 3.11Å; I166-Q170 WeakPolarHBondContact O-CG 3.46Å; I166-Q170 PolarHBondContact O-N 3.12Å; I166-Q170 VanDerWaalsContact O-N 3.16Å; I166-W177 HydrophobicContact CB-CH2 4.31Å; I166-W177 HydrophobicContact CB-CZ2 3.5Å; I166-W177 VanDerWaalsContact CB-CZ2 3.5Å; I166-W177 HydrophobicContact CD1-CH2 4.04Å; I166-W177 HydrophobicContact CD1-CZ2 3.79Å; I166-W177 HydrophobicContact CG1-CZ2 4.23Å; I166-W177 HydrophobicContact CG2-CD2 4.2Å; I166-W177 HydrophobicContact CG2-CH2 3.78Å; I166-W177 HydrophobicContact CG2-CZ2 3.34Å; I166-W177 HydrophobicContact CG2-CZ3 4.37Å
167	W	96.4	Very high	94.3	Very high	47 Å²	47	31.8 Å²	31.8	18%	0.178	14%	0.143	C	C	.	.	H	α-helix	trans	-63.8	-39.1	173.7	-163.4	19.2	0	0	0	112.5	Y163 I164 S165 C169 Q170 N171 L172 K173 W177 P178 V181	Y163-W167 PolarHBondContact O-N 3.35Å; Y163-W167 VanDerWaalsContact O-N 3.14Å; I164-W167 CarbonylContact O-C 3.49Å; I164-W167 WeakPolarHBondContact O-CA 3.35Å; I164-W167 VanDerWaalsContact O-CB 3.25Å; I164-W167 WeakPolarHBondContact O-CB 3.44Å; I164-W167 PolarHBondContact O-N 3.01Å; S165-W167 VanDerWaalsContact C-N 3.33Å; W167-C169 VanDerWaalsContact C-N 3.27Å; W167-C169 PolarHBondContact O-N 2.89Å; W167-Q170 CarbonylContact O-C 3.49Å; W167-Q170 WeakPolarHBondContact O-CA 3.41Å; W167-Q170 WeakPolarHBondContact O-CB 3.49Å; W167-Q170 PolarHBondContact O-N 2.94Å; W167-N171 PolarHBondContact O-N 3.36Å; W167-L172 HydrophobicContact CB-CD2 4.21Å; W167-L172 HydrophobicContact CD2-CD2 3.51Å; W167-L172 HydrophobicContact CE3-CD2 3.74Å; W167-L172 HydrophobicContact CG-CD2 3.77Å; W167-L172 HydrophobicContact CZ2-CD2 4.38Å; W167-L172 HydrophobicContact CZ3-CD2 4.28Å; W167-L172 PolarHBondContact O-N 3.33Å; W167-K173 PolarHBondContact NE1-O 3.29Å; W167-W177 AromaticContact CD1-CD1 3.87Å; W167-W177 AromaticContact CG-CD1 3.7Å; W167-P178 HydrophobicContact CH2-CB 4.44Å; W167-P178 HydrophobicContact CH2-CG 4.48Å; W167-P178 HydrophobicContact CZ2-CB 4.06Å; W167-P178 HydrophobicContact CZ2-CG 3.64Å; W167-V181 HydrophobicContact CB-CG2 4.35Å; W167-V181 HydrophobicContact CE3-CG2 4.37Å
168	L	96.8	Very high	94.1	Very high	17 Å²	17	30.2 Å²	30.2	9%	0.089	14%	0.136	C	C	.	.	H	α-helix	trans	-59.6	-39.6	171.7	-64.7	170.8	0	0	0	110.9	M102 F105 L109 I164 S165 I166 Q170 N171 L172	M102-L168 HydrophobicContact CE-CB 4.28Å; M102-L168 HydrophobicContact CE-CD2 3.21Å; M102-L168 HydrophobicContact CE-CG 4.33Å; M102-L168 WeakPolarHBondContact CG-O 3.18Å; M102-L168 HydrophobicContact SD-CD2 4.16Å; F105-L168 HydrophobicContact CD1-CD1 3.85Å; F105-L168 HydrophobicContact CE1-CD1 3.78Å; L109-L168 HydrophobicContact CD2-CD1 3.55Å; I164-L168 WeakPolarHBondContact O-CG 3.09Å; I164-L168 PolarHBondContact O-N 2.86Å; S165-L168 WeakPolarHBondContact O-CB 3.46Å; S165-L168 PolarHBondContact O-N 3.34Å; I166-L168 VanDerWaalsContact C-N 3.34Å; I166-L168 PolarHBondContact O-N 3.38Å; L168-Q170 PolarHBondContact O-N 3.35Å; L168-N171 WeakPolarHBondContact O-CA 3.41Å; L168-N171 PolarHBondContact O-N 3.08Å; L168-L172 HydrophobicContact CD2-CD1 3.99Å; L168-L172 HydrophobicContact CD2-CD2 3.83Å; L168-L172 HydrophobicContact CD2-CG 3.97Å; L168-L172 HydrophobicContact CG-CD2 4.42Å
169	C	95.2	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.1	-24.7	174.7	-63.2	0	0	0	0	112.9	T37 L40 L44 Q103 S165 I166 W167 N171	T37-C169 VanDerWaalsContact CG2-O 3.28Å; T37-C169 WeakPolarHBondContact CG2-O 3.27Å; L40-C169 HydrophobicContact CD2-CB 4Å; L44-C169 HydrophobicContact CD1-CB 4.4Å; L44-C169 VanDerWaalsContact CD1-SG 3.56Å; Q103-C169 VanDerWaalsContact CG-O 3.25Å; Q103-C169 WeakPolarHBondContact CG-O 3.43Å; Q103-C169 PolarHBondContact NE2-O 3.27Å; S165-C169 PolarHBondContact O-N 2.88Å; S165-C169 VanDerWaalsContact O-N 3.12Å; S165-C169 PolarHBondContact O-SG 3.16Å; I166-C169 WeakPolarHBondContact O-CA 3.2Å; I166-C169 VanDerWaalsContact O-CB 3.31Å; I166-C169 WeakPolarHBondContact O-CB 3.3Å; I166-C169 PolarHBondContact O-N 3.27Å; I166-C169 VanDerWaalsContact O-N 3.11Å; W167-C169 VanDerWaalsContact C-N 3.27Å; W167-C169 PolarHBondContact O-N 2.89Å; C169-N171 PolarHBondContact O-N 3.33Å
170	Q	92.5	Very high	93.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	12.1	172.2	-59.8	176.4	7.5	0	0	113	L33 T37 C41 I166 W167 L168 L172 K173 N175	L33-Q170 HydrophobicContact CD1-CG 3.96Å; L33-Q170 HydrophobicContact CD2-CB 4.07Å; L33-Q170 HydrophobicContact CD2-CG 4.36Å; T37-Q170 HydrophobicContact CG2-CG 4.22Å; C41-Q170 VanDerWaalsContact SG-CG 3.56Å; I166-Q170 WeakPolarHBondContact O-CG 3.46Å; I166-Q170 PolarHBondContact O-N 3.12Å; I166-Q170 VanDerWaalsContact O-N 3.16Å; W167-Q170 CarbonylContact O-C 3.49Å; W167-Q170 WeakPolarHBondContact O-CA 3.41Å; W167-Q170 WeakPolarHBondContact O-CB 3.49Å; W167-Q170 PolarHBondContact O-N 2.94Å; L168-Q170 PolarHBondContact O-N 3.35Å; Q170-L172 PolarHBondContact O-N 3.23Å; Q170-K173 VanDerWaalsContact O-CG 3.32Å; Q170-K173 WeakPolarHBondContact O-CG 3.35Å; Q170-K173 PolarHBondContact O-N 3.41Å; Q170-N175 PolarHBondContact OE1-ND2 3.1Å; Q170-N175 PolarHBondContact OE1-OD1 2.87Å
171	N	91.4	Very high	93.6	Very high	59 Å²	59	34.3 Å²	34.3	32%	0.316	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	33.3	-173.9	-55.6	-82.1	0	0	0	113.2	T100 W167 L168 C169 K173	T100-N171 PolarHBondContact OG1-OD1 2.86Å; T100-N171 VanDerWaalsContact OG1-OD1 3.1Å; W167-N171 PolarHBondContact O-N 3.36Å; L168-N171 WeakPolarHBondContact O-CA 3.41Å; L168-N171 PolarHBondContact O-N 3.08Å; C169-N171 PolarHBondContact O-N 3.33Å; N171-K173 PolarHBondContact O-N 3.27Å; N171-K173 VanDerWaalsContact O-N 3.11Å
172	L	90.9	Very high	93.4	Very high	69 Å²	69	37.6 Å²	37.6	36%	0.361	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	30	-178.3	-61.1	174.7	0	0	0	113.7	M102 W167 L168 Q170 W174	M102-L172 HydrophobicContact CE-CD1 3.46Å; M102-L172 VanDerWaalsContact CE-CD1 3.46Å; M102-L172 HydrophobicContact CE-CG 3.62Å; W167-L172 HydrophobicContact CB-CD2 4.21Å; W167-L172 HydrophobicContact CD2-CD2 3.51Å; W167-L172 HydrophobicContact CE3-CD2 3.74Å; W167-L172 HydrophobicContact CG-CD2 3.77Å; W167-L172 HydrophobicContact CZ2-CD2 4.38Å; W167-L172 HydrophobicContact CZ3-CD2 4.28Å; W167-L172 PolarHBondContact O-N 3.33Å; L168-L172 HydrophobicContact CD2-CD1 3.99Å; L168-L172 HydrophobicContact CD2-CD2 3.83Å; L168-L172 HydrophobicContact CD2-CG 3.97Å; L168-L172 HydrophobicContact CG-CD2 4.42Å; Q170-L172 PolarHBondContact O-N 3.23Å; L172-W174 PolarHBondContact O-N 2.86Å
173	K	88.4	Confident	93.2	Very high	95 Å²	95	39.3 Å²	39.3	41%	0.413	18%	0.18	S	C	.	.			trans	-62.1	140.5	176	-74.4	-176.8	-178.2	-165.2	0	110	R32 L33 W167 Q170 N171 N175	R32-K173 WeakPolarHBondContact O-CD 3.35Å; R32-K173 PolarHBondContact O-NZ 3.18Å; L33-K173 HydrophobicContact CD2-CD 3.94Å; W167-K173 PolarHBondContact NE1-O 3.29Å; Q170-K173 VanDerWaalsContact O-CG 3.32Å; Q170-K173 WeakPolarHBondContact O-CG 3.35Å; Q170-K173 PolarHBondContact O-N 3.41Å; N171-K173 PolarHBondContact O-N 3.27Å; N171-K173 VanDerWaalsContact O-N 3.11Å; K173-N175 PolarHBondContact O-N 3.24Å; K173-N175 PolarHBondContact O-OD1 3.11Å
174	W	85.5	Confident	93	Very high	206 Å²	206	39.4 Å²	39.4	78%	0.78	18%	0.181	S	C	*	.	S	Bend	trans	-74.3	82	169.4	-78.6	109.4	0	0	0	109.4	L172 P178	L172-W174 PolarHBondContact O-N 2.86Å; W174-P178 HydrophobicContact CE3-CB 4.05Å; W174-P178 HydrophobicContact CE3-CG 3.79Å; W174-P178 HydrophobicContact CZ3-CB 3.79Å; W174-P178 HydrophobicContact CZ3-CG 4.04Å
175	N	86.3	Confident	92.8	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.037	18%	0.177	C	C	.	.	S	Bend	trans	-119.8	-149.9	176.2	69.4	2.2	0	0	0	108.6	E89 Q170 K173 W177 P178	E89-N175 HydrophobicContact CG-CB 4.15Å; E89-N175 WeakPolarHBondContact OE2-CB 3.13Å; Q170-N175 PolarHBondContact OE1-ND2 3.1Å; Q170-N175 PolarHBondContact OE1-OD1 2.87Å; K173-N175 PolarHBondContact O-N 3.24Å; K173-N175 PolarHBondContact O-OD1 3.11Å; N175-W177 VanDerWaalsContact OD1-CB 3.25Å; N175-W177 WeakPolarHBondContact OD1-CB 3.32Å; N175-W177 PolarHBondContact OD1-N 3.31Å; N175-P178 VanDerWaalsContact O-CD 3.31Å; N175-P178 WeakPolarHBondContact O-CD 3.49Å; N175-P178 WeakPolarHBondContact OD1-CD 3.37Å
176	T	89.1	Confident	92.5	Very high	8 Å²	8	41.4 Å²	41.4	5%	0.049	20%	0.196	C	C	.	.	S	Bend	trans	-86.5	-15.9	-175.9	55.1	0	0	0	0	113.7	F22 S85 E89 F179	F22-T176 HydrophobicContact CD2-CG2 4.25Å; F22-T176 HydrophobicContact CE1-CG2 3.91Å; F22-T176 VanDerWaalsContact CE2-CB 3.47Å; F22-T176 HydrophobicContact CE2-CG2 3.14Å; F22-T176 HydrophobicContact CZ-CG2 2.95Å; S85-T176 PolarHBondContact O-OG1 3.45Å; S85-T176 VanDerWaalsContact O-OG1 3.05Å; E89-T176 WeakPolarHBondContact CG-OG1 3.37Å; E89-T176 VanDerWaalsContact OE1-CB 3.29Å; E89-T176 WeakPolarHBondContact OE1-CB 3.34Å; E89-T176 WeakPolarHBondContact OE1-CG2 3.49Å; E89-T176 PolarHBondContact OE1-N 3.26Å; E89-T176 VanDerWaalsContact OE1-N 3.13Å; E89-T176 PolarHBondContact OE1-OG1 2.74Å; T176-F179 PolarHBondContact O-N 3.04Å
177	W	91.7	Very high	92.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-66	-37.8	178.7	-165.8	-95	0	0	0	115.6	F45 V82 I86 Y163 I166 W167 N175 F179 V180 V181	F45-W177 HydrophobicContact CD2-CH2 4.44Å; V82-W177 HydrophobicContact CG1-CH2 3.57Å; V82-W177 HydrophobicContact CG1-CZ3 3.53Å; I86-W177 HydrophobicContact CD1-CE3 4.3Å; I86-W177 HydrophobicContact CD1-CH2 4.06Å; I86-W177 HydrophobicContact CD1-CZ3 3.54Å; I86-W177 HydrophobicContact CG1-CE3 3.73Å; I86-W177 HydrophobicContact CG1-CH2 4.39Å; I86-W177 HydrophobicContact CG1-CZ3 3.43Å; I86-W177 VanDerWaalsContact CG1-CZ3 3.43Å; Y163-W177 HydrophobicContact CD1-CH2 4.09Å; Y163-W177 AromaticContact CD1-CZ2 3.65Å; Y163-W177 HydrophobicContact CD1-CZ2 3.65Å; Y163-W177 HydrophobicContact CE1-CH2 4.3Å; Y163-W177 HydrophobicContact CE1-CZ2 4.31Å; Y163-W177 HydrophobicContact CG-CZ2 4.42Å; Y163-W177 PolarHBondContact O-NE1 3.05Å; I166-W177 HydrophobicContact CB-CH2 4.31Å; I166-W177 HydrophobicContact CB-CZ2 3.5Å; I166-W177 VanDerWaalsContact CB-CZ2 3.5Å; I166-W177 HydrophobicContact CD1-CH2 4.04Å; I166-W177 HydrophobicContact CD1-CZ2 3.79Å; I166-W177 HydrophobicContact CG1-CZ2 4.23Å; I166-W177 HydrophobicContact CG2-CD2 4.2Å; I166-W177 HydrophobicContact CG2-CH2 3.78Å; I166-W177 HydrophobicContact CG2-CZ2 3.34Å; I166-W177 HydrophobicContact CG2-CZ3 4.37Å; W167-W177 AromaticContact CD1-CD1 3.87Å; W167-W177 AromaticContact CG-CD1 3.7Å; N175-W177 VanDerWaalsContact OD1-CB 3.25Å; N175-W177 WeakPolarHBondContact OD1-CB 3.32Å; N175-W177 PolarHBondContact OD1-N 3.31Å; W177-F179 PolarHBondContact O-N 3.43Å; W177-F179 VanDerWaalsContact O-N 3.16Å; W177-V180 HydrophobicContact CE3-CG2 4.45Å; W177-V180 WeakPolarHBondContact O-CA 3.2Å; W177-V180 VanDerWaalsContact O-CB 3.31Å; W177-V180 WeakPolarHBondContact O-CB 3.31Å; W177-V180 PolarHBondContact O-N 3.1Å; W177-V181 PolarHBondContact O-N 2.77Å
178	P	92.7	Very high	92.1	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-49.9	-37.9	171.7	-24.6	24.1	0	0	0	113.8	W167 W174 N175 V180 V181 I182	W167-P178 HydrophobicContact CH2-CB 4.44Å; W167-P178 HydrophobicContact CH2-CG 4.48Å; W167-P178 HydrophobicContact CZ2-CB 4.06Å; W167-P178 HydrophobicContact CZ2-CG 3.64Å; W174-P178 HydrophobicContact CE3-CB 4.05Å; W174-P178 HydrophobicContact CE3-CG 3.79Å; W174-P178 HydrophobicContact CZ3-CB 3.79Å; W174-P178 HydrophobicContact CZ3-CG 4.04Å; N175-P178 VanDerWaalsContact O-CD 3.31Å; N175-P178 WeakPolarHBondContact O-CD 3.49Å; N175-P178 WeakPolarHBondContact OD1-CD 3.37Å; P178-V180 VanDerWaalsContact C-N 3.34Å; P178-V180 PolarHBondContact O-N 3.28Å; P178-V181 PolarHBondContact O-N 2.93Å; P178-I182 VanDerWaalsContact O-CG1 3.3Å; P178-I182 WeakPolarHBondContact O-CG1 3.33Å; P178-I182 PolarHBondContact O-N 3.45Å
179	F	91.8	Very high	91.8	Very high	90 Å²	90	45.5 Å²	45.5	40%	0.395	22%	0.22	S	C	.	.	H	α-helix	trans	-66.3	-37.1	176.9	-60	-72.3	0	0	0	112.1	I18 T176 W177 I182 F183	I18-F179 HydrophobicContact CG2-CB 3.93Å; I18-F179 HydrophobicContact CG2-CD1 4.38Å; I18-F179 HydrophobicContact CG2-CG 4.17Å; T176-F179 PolarHBondContact O-N 3.04Å; W177-F179 PolarHBondContact O-N 3.43Å; W177-F179 VanDerWaalsContact O-N 3.16Å; F179-I182 PolarHBondContact O-N 3.19Å; F179-F183 WeakPolarHBondContact O-CB 3.35Å; F179-F183 PolarHBondContact O-N 3.39Å
180	V	93.5	Very high	91.6	Very high	17 Å²	17	49.7 Å²	49.7	10%	0.103	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-45.5	172.6	-177.5	0	0	0	0	110.3	V82 Y163 W177 P178 I182 F183 V184	V82-V180 HydrophobicContact CG1-CG1 4.45Å; V82-V180 HydrophobicContact CG2-CG1 3.73Å; Y163-V180 HydrophobicContact CD1-CG1 3.59Å; Y163-V180 HydrophobicContact CE1-CG1 3.62Å; W177-V180 HydrophobicContact CE3-CG2 4.45Å; W177-V180 WeakPolarHBondContact O-CA 3.2Å; W177-V180 VanDerWaalsContact O-CB 3.31Å; W177-V180 WeakPolarHBondContact O-CB 3.31Å; W177-V180 PolarHBondContact O-N 3.1Å; P178-V180 VanDerWaalsContact C-N 3.34Å; P178-V180 PolarHBondContact O-N 3.28Å; V180-I182 PolarHBondContact O-N 2.84Å; V180-F183 PolarHBondContact O-N 3.2Å; V180-V184 HydrophobicContact CG1-CG2 4.36Å; V180-V184 WeakPolarHBondContact O-CB 3.43Å; V180-V184 WeakPolarHBondContact O-CG2 3.32Å; V180-V184 PolarHBondContact O-N 3.35Å
181	V	94.7	Very high	91.5	Very high	12 Å²	12	51 Å²	51	7%	0.073	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-45.5	177.7	175.2	0	0	0	0	110.9	I164 W167 W177 P178 V184 T185	I164-V181 HydrophobicContact CG1-CG1 3.82Å; W167-V181 HydrophobicContact CB-CG2 4.35Å; W167-V181 HydrophobicContact CE3-CG2 4.37Å; W177-V181 PolarHBondContact O-N 2.77Å; P178-V181 PolarHBondContact O-N 2.93Å; V181-V184 PolarHBondContact O-N 2.69Å; V181-T185 VanDerWaalsContact O-CB 3.28Å; V181-T185 WeakPolarHBondContact O-CB 3.24Å; V181-T185 PolarHBondContact O-N 3.37Å; V181-T185 PolarHBondContact O-OG1 2.89Å
182	I	94.9	Very high	91.6	Very high	91 Å²	91	48.2 Å²	48.2	47%	0.467	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-49	177	-70.1	164.8	0	0	0	110.3	P178 F179 V180 V184 T185 V186	P178-I182 VanDerWaalsContact O-CG1 3.3Å; P178-I182 WeakPolarHBondContact O-CG1 3.33Å; P178-I182 PolarHBondContact O-N 3.45Å; F179-I182 PolarHBondContact O-N 3.19Å; V180-I182 PolarHBondContact O-N 2.84Å; I182-V184 PolarHBondContact O-N 2.97Å; I182-T185 PolarHBondContact O-N 3.46Å; I182-V186 HydrophobicContact CG2-CG2 4.39Å; I182-V186 WeakPolarHBondContact O-CG2 3.39Å; I182-V186 PolarHBondContact O-N 3.05Å
183	F	93	Very high	91.6	Very high	36 Å²	36	46.6 Å²	46.6	16%	0.158	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-50	178.7	171.7	-98.1	0	0	0	111.9	L74 H78 F179 V180 T185 V186 N187	L74-F183 HydrophobicContact CD1-CE2 4.22Å; L74-F183 HydrophobicContact CD1-CZ 3.9Å; L74-F183 HydrophobicContact CD2-CE2 4.45Å; L74-F183 HydrophobicContact CD2-CZ 4.06Å; L74-F183 HydrophobicContact CG-CZ 4.05Å; H78-F183 AromaticContact ND1-CD1 3.7Å; H78-F183 AromaticContact ND1-CE1 3.39Å; H78-F183 WeakPolarHBondContact ND1-CE1 3.34Å; F179-F183 WeakPolarHBondContact O-CB 3.35Å; F179-F183 PolarHBondContact O-N 3.39Å; V180-F183 PolarHBondContact O-N 3.2Å; F183-T185 VanDerWaalsContact C-N 3.34Å; F183-T185 PolarHBondContact O-N 3.43Å; F183-V186 PolarHBondContact O-N 2.74Å; F183-N187 VanDerWaalsContact O-CB 3.29Å; F183-N187 WeakPolarHBondContact O-CB 3.24Å; F183-N187 PolarHBondContact O-N 3.04Å
184	V	94.1	Very high	91.7	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.042	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-44.5	178.4	171.4	0	0	0	0	110.5	E159 I160 Y163 V180 V181 I182 N187 Q188	E159-V184 HydrophobicContact CG-CG1 4.27Å; I160-V184 HydrophobicContact CG1-CG1 4.45Å; Y163-V184 HydrophobicContact CD1-CG2 3.87Å; Y163-V184 HydrophobicContact CD2-CB 4.35Å; Y163-V184 HydrophobicContact CD2-CG1 3.79Å; Y163-V184 HydrophobicContact CD2-CG2 4.05Å; Y163-V184 HydrophobicContact CE1-CG2 3.77Å; Y163-V184 HydrophobicContact CE2-CG1 4.09Å; Y163-V184 HydrophobicContact CE2-CG2 3.97Å; Y163-V184 HydrophobicContact CG-CB 4.34Å; Y163-V184 HydrophobicContact CG-CG1 4.22Å; Y163-V184 HydrophobicContact CG-CG2 4Å; V180-V184 HydrophobicContact CG1-CG2 4.36Å; V180-V184 WeakPolarHBondContact O-CB 3.43Å; V180-V184 WeakPolarHBondContact O-CG2 3.32Å; V180-V184 PolarHBondContact O-N 3.35Å; V181-V184 PolarHBondContact O-N 2.69Å; I182-V184 PolarHBondContact O-N 2.97Å; V184-N187 PolarHBondContact O-N 3.16Å; V184-Q188 HydrophobicContact CG1-CG 4.02Å; V184-Q188 VanDerWaalsContact O-CB 3.3Å; V184-Q188 WeakPolarHBondContact O-CB 3.2Å; V184-Q188 WeakPolarHBondContact O-CG 3.49Å; V184-Q188 PolarHBondContact O-N 2.76Å
185	T	94.2	Very high	92	Very high	37 Å²	37	35.8 Å²	35.8	23%	0.227	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-51.2	179.8	-58.5	0	0	0	0	111.3	I160 V181 I182 F183 N187 Q188 M189	I160-T185 HydrophobicContact CD1-CG2 4.26Å; V181-T185 VanDerWaalsContact O-CB 3.28Å; V181-T185 WeakPolarHBondContact O-CB 3.24Å; V181-T185 PolarHBondContact O-N 3.37Å; V181-T185 PolarHBondContact O-OG1 2.89Å; I182-T185 PolarHBondContact O-N 3.46Å; F183-T185 VanDerWaalsContact C-N 3.34Å; F183-T185 PolarHBondContact O-N 3.43Å; T185-N187 PolarHBondContact O-N 3.17Å; T185-Q188 PolarHBondContact O-N 2.71Å; T185-M189 HydrophobicContact CG2-CG 4.43Å; T185-M189 HydrophobicContact CG2-SD 3.98Å; T185-M189 WeakPolarHBondContact O-CB 3.33Å; T185-M189 VanDerWaalsContact O-CG 3.27Å; T185-M189 WeakPolarHBondContact O-CG 3.33Å; T185-M189 PolarHBondContact O-N 3.35Å
186	V	93.1	Very high	92.3	Very high	66 Å²	66	38.6 Å²	38.6	40%	0.4	21%	0.205	S	C	.	.	H	α-helix	trans	-61.1	-46.2	178.8	172.5	0	0	0	0	111	I182 F183 Q188 M189 I190	I182-V186 HydrophobicContact CG2-CG2 4.39Å; I182-V186 WeakPolarHBondContact O-CG2 3.39Å; I182-V186 PolarHBondContact O-N 3.05Å; F183-V186 PolarHBondContact O-N 2.74Å; V186-Q188 VanDerWaalsContact C-N 3.35Å; V186-Q188 PolarHBondContact O-N 3.07Å; V186-M189 PolarHBondContact O-N 3.34Å; V186-I190 HydrophobicContact CG1-CD1 3.82Å; V186-I190 WeakPolarHBondContact O-CG1 3.3Å; V186-I190 PolarHBondContact O-N 3.26Å
187	N	90.8	Very high	92.5	Very high	59 Å²	59	42.1 Å²	42.1	32%	0.316	22%	0.221	S	C	.	.	H	α-helix	trans	-59.2	-46	178.6	-179.1	76.1	0	0	0	111.8	F183 V184 T185 I190 A191	F183-N187 VanDerWaalsContact O-CB 3.29Å; F183-N187 WeakPolarHBondContact O-CB 3.24Å; F183-N187 PolarHBondContact O-N 3.04Å; V184-N187 PolarHBondContact O-N 3.16Å; T185-N187 PolarHBondContact O-N 3.17Å; N187-I190 PolarHBondContact O-N 2.78Å; N187-A191 VanDerWaalsContact O-CB 3.32Å; N187-A191 WeakPolarHBondContact O-CB 3.35Å; N187-A191 PolarHBondContact O-N 3.48Å
188	Q	92.9	Very high	92.5	Very high	20 Å²	20	43.7 Å²	43.7	9%	0.093	23%	0.226	C	C	.	.	H	α-helix	trans	-71.9	-34.1	-178.5	-67.9	-55.2	50.6	0	0	113.1	F156 E159 I160 V184 T185 V186 A192	F156-Q188 HydrophobicContact CB-CB 4.09Å; F156-Q188 HydrophobicContact CB-CG 4.38Å; E159-Q188 HydrophobicContact CB-CG 4.46Å; I160-Q188 HydrophobicContact CD1-CB 3.86Å; I160-Q188 HydrophobicContact CG1-CB 3.96Å; I160-Q188 HydrophobicContact CG1-CG 4.14Å; V184-Q188 HydrophobicContact CG1-CG 4.02Å; V184-Q188 VanDerWaalsContact O-CB 3.3Å; V184-Q188 WeakPolarHBondContact O-CB 3.2Å; V184-Q188 WeakPolarHBondContact O-CG 3.49Å; V184-Q188 PolarHBondContact O-N 2.76Å; T185-Q188 PolarHBondContact O-N 2.71Å; V186-Q188 VanDerWaalsContact C-N 3.35Å; V186-Q188 PolarHBondContact O-N 3.07Å; Q188-A192 WeakPolarHBondContact O-CB 3.47Å; Q188-A192 PolarHBondContact O-N 3.2Å
189	M	92	Very high	92.6	Very high	72 Å²	72	44.5 Å²	44.5	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-46.6	172.4	-74.5	-179.5	70.9	0	0	111.7	T185 V186 A192 S193 L214 F219	T185-M189 HydrophobicContact CG2-CG 4.43Å; T185-M189 HydrophobicContact CG2-SD 3.98Å; T185-M189 WeakPolarHBondContact O-CB 3.33Å; T185-M189 VanDerWaalsContact O-CG 3.27Å; T185-M189 WeakPolarHBondContact O-CG 3.33Å; T185-M189 PolarHBondContact O-N 3.35Å; V186-M189 PolarHBondContact O-N 3.34Å; M189-A192 PolarHBondContact O-N 2.97Å; M189-S193 PolarHBondContact O-N 3.28Å; M189-S193 PolarHBondContact O-OG 3.01Å; M189-L214 HydrophobicContact CB-CD2 4.46Å; M189-L214 HydrophobicContact CG-CD2 3.59Å; M189-F219 HydrophobicContact CB-CE1 4.1Å; M189-F219 HydrophobicContact CE-CD1 4.07Å; M189-F219 HydrophobicContact CE-CE1 3.83Å; M189-F219 HydrophobicContact CE-CZ 4.18Å; M189-F219 HydrophobicContact CG-CE1 4.06Å
190	I	91	Very high	92.7	Very high	89 Å²	89	42.6 Å²	42.6	46%	0.456	22%	0.223	S	C	.	.	H	α-helix	trans	-62.4	-47.6	177	-66.9	168.4	0	0	0	110.3	V186 N187 A192 S193 I194	V186-I190 HydrophobicContact CG1-CD1 3.82Å; V186-I190 WeakPolarHBondContact O-CG1 3.3Å; V186-I190 PolarHBondContact O-N 3.26Å; N187-I190 PolarHBondContact O-N 2.78Å; I190-A192 VanDerWaalsContact C-N 3.3Å; I190-A192 PolarHBondContact O-N 3.45Å; I190-S193 PolarHBondContact O-N 3.29Å; I190-I194 HydrophobicContact CG2-CD1 3.69Å; I190-I194 HydrophobicContact CG2-CG1 4.45Å; I190-I194 WeakPolarHBondContact O-CB 3.46Å; I190-I194 VanDerWaalsContact O-CG1 3.32Å; I190-I194 WeakPolarHBondContact O-CG1 3.48Å; I190-I194 PolarHBondContact O-N 2.79Å; I190-I194 VanDerWaalsContact O-N 3.07Å
191	A	90.1	Very high	92.7	Very high	27 Å²	27	50.3 Å²	50.3	22%	0.223	25%	0.25	C	C	.	.	H	α-helix	trans	-60.2	-39.6	178.7	0	0	0	0	0	112.2	F156 N187 T195	F156-A191 HydrophobicContact CD2-CB 4.14Å; F156-A191 HydrophobicContact CE2-CB 3.65Å; F156-A191 HydrophobicContact CZ-CB 3.97Å; N187-A191 VanDerWaalsContact O-CB 3.32Å; N187-A191 WeakPolarHBondContact O-CB 3.35Å; N187-A191 PolarHBondContact O-N 3.48Å; A191-T195 VanDerWaalsContact O-CB 3.24Å; A191-T195 WeakPolarHBondContact O-CB 3.31Å; A191-T195 PolarHBondContact O-N 3.17Å; A191-T195 PolarHBondContact O-OG1 3.13Å
192	A	92.1	Very high	92.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.9	-48	177.3	0	0	0	0	0	112.2	C153 F156 Q188 M189 I190 I194 T195 R196 A213 L214	C153-A192 HydrophobicContact CB-CB 4.27Å; F156-A192 HydrophobicContact CD2-CB 4.01Å; Q188-A192 WeakPolarHBondContact O-CB 3.47Å; Q188-A192 PolarHBondContact O-N 3.2Å; M189-A192 PolarHBondContact O-N 2.97Å; I190-A192 VanDerWaalsContact C-N 3.3Å; I190-A192 PolarHBondContact O-N 3.45Å; A192-I194 PolarHBondContact O-N 3.08Å; A192-T195 PolarHBondContact O-N 2.71Å; A192-R196 WeakPolarHBondContact O-CB 3.31Å; A192-R196 PolarHBondContact O-N 3.07Å; A192-A213 HydrophobicContact CB-CB 4.15Å; A192-L214 HydrophobicContact CB-CB 3.98Å; A192-L214 HydrophobicContact CB-CD1 4Å; A192-L214 HydrophobicContact CB-CG 4.5Å
193	S	91.9	Very high	92.6	Very high	36 Å²	36	52.9 Å²	52.9	25%	0.252	26%	0.257	S	S	.	.	H	α-helix	trans	-57.5	-50.3	177.4	-66.2	0	0	0	0	111.8	M189 I190 T195 R196 E197 F219	M189-S193 PolarHBondContact O-N 3.28Å; M189-S193 PolarHBondContact O-OG 3.01Å; I190-S193 PolarHBondContact O-N 3.29Å; S193-T195 VanDerWaalsContact C-N 3.31Å; S193-T195 PolarHBondContact O-N 3.25Å; S193-R196 PolarHBondContact O-N 3.05Å; S193-E197 PolarHBondContact O-N 2.77Å; S193-F219 VanDerWaalsContact OG-CZ 3.25Å; S193-F219 WeakPolarHBondContact OG-CZ 3.35Å
194	I	90	Very high	92.6	Very high	37 Å²	37	55.6 Å²	55.6	19%	0.19	28%	0.278	C	S	.	.	H	α-helix	trans	-61.2	-43	-179.7	-70.2	174.5	0	0	0	110.9	W4 I190 A192 W198	W4-I194 HydrophobicContact CD2-CG2 3.87Å; W4-I194 HydrophobicContact CG-CG2 4.09Å; W4-I194 HydrophobicContact CH2-CG2 4.48Å; W4-I194 HydrophobicContact CZ2-CG2 3.72Å; I190-I194 HydrophobicContact CG2-CD1 3.69Å; I190-I194 HydrophobicContact CG2-CG1 4.45Å; I190-I194 WeakPolarHBondContact O-CB 3.46Å; I190-I194 VanDerWaalsContact O-CG1 3.32Å; I190-I194 WeakPolarHBondContact O-CG1 3.48Å; I190-I194 PolarHBondContact O-N 2.79Å; I190-I194 VanDerWaalsContact O-N 3.07Å; A192-I194 PolarHBondContact O-N 3.08Å; I194-W198 WeakPolarHBondContact O-CB 3.37Å; I194-W198 PolarHBondContact O-N 3.02Å
195	T	91.5	Very high	92.5	Very high	37 Å²	37	64.2 Å²	64.2	23%	0.227	32%	0.318	C	S	.	.	H	α-helix	trans	-67.4	-40.8	-179.7	-58.9	0	0	0	0	111.3	C153 A191 A192 S193 W198 Y199	C153-T195 VanDerWaalsContact SG-CB 3.53Å; C153-T195 WeakPolarHBondContact SG-CG2 3.15Å; A191-T195 VanDerWaalsContact O-CB 3.24Å; A191-T195 WeakPolarHBondContact O-CB 3.31Å; A191-T195 PolarHBondContact O-N 3.17Å; A191-T195 PolarHBondContact O-OG1 3.13Å; A192-T195 PolarHBondContact O-N 2.71Å; S193-T195 VanDerWaalsContact C-N 3.31Å; S193-T195 PolarHBondContact O-N 3.25Å; T195-W198 WeakPolarHBondContact O-CB 3.49Å; T195-W198 PolarHBondContact O-N 3.25Å; T195-Y199 HydrophobicContact CG2-CD2 3.93Å; T195-Y199 HydrophobicContact CG2-CE2 3.62Å; T195-Y199 WeakPolarHBondContact O-CD2 3.3Å; T195-Y199 PolarHBondContact O-N 2.95Å
196	R	92.7	Very high	92.5	Very high	65 Å²	65	67.3 Å²	67.3	25%	0.245	34%	0.337	C	S	.	.	H	α-helix	trans	-62.8	-48.7	175.1	179.7	178.1	175.1	-84.2	-0.7	111.7	A152 A192 S193 W198 Y199 I200 T209 R211 A213	A152-R196 HydrophobicContact CB-CB 3.92Å; A152-R196 HydrophobicContact CB-CG 4.15Å; A192-R196 WeakPolarHBondContact O-CB 3.31Å; A192-R196 PolarHBondContact O-N 3.07Å; S193-R196 PolarHBondContact O-N 3.05Å; R196-W198 PolarHBondContact O-N 3.5Å; R196-Y199 PolarHBondContact O-N 3.12Å; R196-Y199 VanDerWaalsContact O-N 3.12Å; R196-I200 HydrophobicContact CG-CD1 4.16Å; R196-I200 WeakPolarHBondContact O-CG1 3.32Å; R196-I200 PolarHBondContact O-N 3.03Å; R196-T209 PolarHBondContact NH2-O 3.17Å; R196-R211 PolarHBondContact NE-O 3.4Å; R196-R211 PolarHBondContact NH2-O 3.47Å; R196-A213 HydrophobicContact CB-CB 4.39Å
197	E	93.1	Very high	92.6	Very high	83 Å²	83	64.8 Å²	64.8	39%	0.388	32%	0.32	S	S	.	.	H	α-helix	trans	-57.8	-40.1	175.9	-76.7	-174.5	-157.5	0	0	111.9	S193 I200 R201	S193-E197 PolarHBondContact O-N 2.77Å; E197-I200 PolarHBondContact O-N 3.38Å; E197-R201 VanDerWaalsContact O-CG 3.32Å; E197-R201 WeakPolarHBondContact O-CG 3.49Å; E197-R201 PolarHBondContact O-N 2.98Å; E197-R201 IonicContact OE2-NH2 3.66Å
198	W	92.6	Very high	92.6	Very high	32 Å²	32	63 Å²	63	12%	0.121	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-42.5	175.9	177.2	83.3	0	0	0	112.2	A2 H140 I194 T195 R196 R201 K202 F203	A2-W198 HydrophobicContact CB-CB 3.82Å; A2-W198 HydrophobicContact CB-CD2 3.76Å; A2-W198 HydrophobicContact CB-CG 3.27Å; H140-W198 HydrophobicContact CB-CH2 3.47Å; H140-W198 VanDerWaalsContact CB-CH2 3.47Å; H140-W198 HydrophobicContact CB-CZ2 4.36Å; H140-W198 HydrophobicContact CB-CZ3 4.28Å; H140-W198 AromaticContact CD2-CH2 3.99Å; H140-W198 AromaticContact CG-CH2 3.41Å; H140-W198 VanDerWaalsContact CG-CH2 3.41Å; H140-W198 AromaticContact ND1-CH2 3.8Å; H140-W198 AromaticContact ND1-CZ2 3.92Å; I194-W198 WeakPolarHBondContact O-CB 3.37Å; I194-W198 PolarHBondContact O-N 3.02Å; T195-W198 WeakPolarHBondContact O-CB 3.49Å; T195-W198 PolarHBondContact O-N 3.25Å; R196-W198 PolarHBondContact O-N 3.5Å; W198-R201 PolarHBondContact O-N 2.93Å; W198-K202 HydrophobicContact CD2-CB 4.44Å; W198-K202 HydrophobicContact CH2-CB 4.31Å; W198-K202 HydrophobicContact CH2-CG 3.96Å; W198-K202 HydrophobicContact CZ2-CB 4.15Å; W198-K202 HydrophobicContact CZ2-CD 4.22Å; W198-K202 HydrophobicContact CZ2-CG 3.84Å; W198-K202 WeakPolarHBondContact O-CB 3.21Å; W198-K202 PolarHBondContact O-N 3.29Å; W198-F203 HydrophobicContact CH2-CE2 4.37Å; W198-F203 HydrophobicContact CZ3-CE2 4.39Å
199	Y	94.5	Very high	92.3	Very high	21 Å²	21	66.3 Å²	66.3	8%	0.082	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-45.4	175.2	-83.3	-64.9	0	0	0	112.1	T195 R196 R201 K202 F203 Y207	T195-Y199 HydrophobicContact CG2-CD2 3.93Å; T195-Y199 HydrophobicContact CG2-CE2 3.62Å; T195-Y199 WeakPolarHBondContact O-CD2 3.3Å; T195-Y199 PolarHBondContact O-N 2.95Å; R196-Y199 PolarHBondContact O-N 3.12Å; R196-Y199 VanDerWaalsContact O-N 3.12Å; Y199-R201 VanDerWaalsContact C-N 3.33Å; Y199-R201 PolarHBondContact O-N 2.88Å; Y199-K202 PolarHBondContact O-N 3.33Å; Y199-F203 AromaticContact CD1-CD2 3.94Å; Y199-F203 HydrophobicContact CD1-CD2 3.94Å; Y199-F203 AromaticContact CD1-CE2 3.87Å; Y199-F203 HydrophobicContact CD1-CE2 3.87Å; Y199-F203 HydrophobicContact CE1-CE2 4.28Å; Y199-F203 PolarHBondContact O-N 3.29Å; Y199-Y207 HydrophobicContact CD1-CE2 4.42Å; Y199-Y207 HydrophobicContact CD2-CE2 4.36Å; Y199-Y207 HydrophobicContact CG-CD2 4.29Å; Y199-Y207 AromaticContact CG-CE2 3.86Å; Y199-Y207 HydrophobicContact CG-CE2 3.86Å
200	I	93.9	Very high	92.2	Very high	50 Å²	50	69.7 Å²	69.7	26%	0.256	35%	0.348	S	S	.	.	H	α-helix	trans	-58.7	-45.8	177.3	-67.1	166	0	0	0	110.6	R196 E197 F203 P204 Y207	R196-I200 HydrophobicContact CG-CD1 4.16Å; R196-I200 WeakPolarHBondContact O-CG1 3.32Å; R196-I200 PolarHBondContact O-N 3.03Å; E197-I200 PolarHBondContact O-N 3.38Å; I200-F203 CarbonylContact O-C 3.53Å; I200-P204 WeakPolarHBondContact O-CA 3.36Å; I200-Y207 HydrophobicContact CB-CD1 4.44Å; I200-Y207 HydrophobicContact CD1-CD1 4.48Å; I200-Y207 HydrophobicContact CD1-CE1 4.3Å; I200-Y207 HydrophobicContact CG1-CD1 3.44Å; I200-Y207 VanDerWaalsContact CG1-CD1 3.44Å; I200-Y207 HydrophobicContact CG1-CE1 3.6Å; I200-Y207 HydrophobicContact CG1-CG 4.31Å
201	R	94.4	Very high	92.2	Very high	179 Å²	179	65.9 Å²	65.9	68%	0.675	33%	0.328	S	S	*	.	H	α-helix	trans	-70.3	-33.7	179.7	-68.3	176.6	-169.6	-148.8	7.7	113	E197 W198 Y199	E197-R201 VanDerWaalsContact O-CG 3.32Å; E197-R201 WeakPolarHBondContact O-CG 3.49Å; E197-R201 PolarHBondContact O-N 2.98Å; E197-R201 IonicContact OE2-NH2 3.66Å; W198-R201 PolarHBondContact O-N 2.93Å; Y199-R201 VanDerWaalsContact C-N 3.33Å; Y199-R201 PolarHBondContact O-N 2.88Å
202	K	92.8	Very high	92.3	Very high	120 Å²	120	65.7 Å²	65.7	52%	0.522	32%	0.324	S	S	.	.	H	α-helix	trans	-77.9	-32.2	-177.8	-175.3	62.6	177.6	174.7	0	112	W198 Y199 P204	W198-K202 HydrophobicContact CD2-CB 4.44Å; W198-K202 HydrophobicContact CH2-CB 4.31Å; W198-K202 HydrophobicContact CH2-CG 3.96Å; W198-K202 HydrophobicContact CZ2-CB 4.15Å; W198-K202 HydrophobicContact CZ2-CD 4.22Å; W198-K202 HydrophobicContact CZ2-CG 3.84Å; W198-K202 WeakPolarHBondContact O-CB 3.21Å; W198-K202 PolarHBondContact O-N 3.29Å; Y199-K202 PolarHBondContact O-N 3.33Å; K202-P204 VanDerWaalsContact C-CD 3.48Å
203	F	94.1	Very high	92.1	Very high	37 Å²	37	65.8 Å²	65.8	16%	0.162	33%	0.325	C	S	.	.	S	Bend	trans	-131.4	57.5	-175.5	-55.1	-74	0	0	0	111.6	H140 I142 W198 Y199 I200 E205 V206 Y207	H140-F203 HydrophobicContact CB-CZ 4.36Å; H140-F203 WeakPolarHBondContact O-CZ 3.31Å; I142-F203 HydrophobicContact CD1-CB 3.77Å; I142-F203 HydrophobicContact CD1-CD2 4.18Å; I142-F203 HydrophobicContact CD1-CG 3.93Å; I142-F203 HydrophobicContact CG1-CB 4.26Å; I142-F203 HydrophobicContact CG1-CD2 3.7Å; I142-F203 HydrophobicContact CG1-CE2 4.14Å; I142-F203 HydrophobicContact CG1-CG 3.92Å; W198-F203 HydrophobicContact CH2-CE2 4.37Å; W198-F203 HydrophobicContact CZ3-CE2 4.39Å; Y199-F203 AromaticContact CD1-CD2 3.94Å; Y199-F203 HydrophobicContact CD1-CD2 3.94Å; Y199-F203 AromaticContact CD1-CE2 3.87Å; Y199-F203 HydrophobicContact CD1-CE2 3.87Å; Y199-F203 HydrophobicContact CE1-CE2 4.28Å; Y199-F203 PolarHBondContact O-N 3.29Å; I200-F203 CarbonylContact O-C 3.53Å; F203-E205 VanDerWaalsContact C-N 3.28Å; F203-E205 PolarHBondContact O-N 3.4Å; F203-V206 HydrophobicContact CB-CG2 3.74Å; F203-V206 HydrophobicContact CD1-CG2 4.38Å; F203-V206 HydrophobicContact CG-CG2 4.45Å; F203-V206 PolarHBondContact O-N 2.96Å; F203-Y207 WeakPolarHBondContact O-CB 3.39Å; F203-Y207 PolarHBondContact O-N 3.47Å
204	P	92.9	Very high	91.9	Very high	94 Å²	94	64.1 Å²	64.1	61%	0.61	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-32	-168.3	24.8	-34.9	0	0	0	114.2	I200 K202	I200-P204 WeakPolarHBondContact O-CA 3.36Å; K202-P204 VanDerWaalsContact C-CD 3.48Å
205	E	93.1	Very high	91.6	Very high	187 Å²	187	65 Å²	65	87%	0.874	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-22.1	-175.9	-64.3	174.7	-173.6	0	0	113.5	F203	F203-E205 VanDerWaalsContact C-N 3.28Å; F203-E205 PolarHBondContact O-N 3.4Å
206	V	94	Very high	91.1	Very high	102 Å²	102	64.5 Å²	64.5	62%	0.618	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.8	-10.8	-169.9	-59.9	0	0	0	0	113.6	I142 F203 P208	I142-V206 HydrophobicContact CD1-CG2 3.8Å; F203-V206 HydrophobicContact CB-CG2 3.74Å; F203-V206 HydrophobicContact CD1-CG2 4.38Å; F203-V206 HydrophobicContact CG-CG2 4.45Å; F203-V206 PolarHBondContact O-N 2.96Å; V206-P208 WeakPolarHBondContact O-CD 3.42Å
207	Y	93.4	Very high	90.4	Very high	13 Å²	13	70.4 Å²	70.4	5%	0.051	34%	0.339	C	S	.	.	S	Bend	trans	-75.6	125.4	-179.7	-174.6	-95.8	0	0	0	111.8	I142 A152 Y199 I200 F203 T209	I142-Y207 HydrophobicContact CD1-CD2 4.01Å; I142-Y207 HydrophobicContact CG1-CD2 4.14Å; I142-Y207 HydrophobicContact CG2-CD2 4.29Å; I142-Y207 HydrophobicContact CG2-CE2 4.49Å; A152-Y207 WeakPolarHBondContact CB-OH 3.4Å; Y199-Y207 HydrophobicContact CD1-CE2 4.42Å; Y199-Y207 HydrophobicContact CD2-CE2 4.36Å; Y199-Y207 HydrophobicContact CG-CD2 4.29Å; Y199-Y207 AromaticContact CG-CE2 3.86Å; Y199-Y207 HydrophobicContact CG-CE2 3.86Å; I200-Y207 HydrophobicContact CB-CD1 4.44Å; I200-Y207 HydrophobicContact CD1-CD1 4.48Å; I200-Y207 HydrophobicContact CD1-CE1 4.3Å; I200-Y207 HydrophobicContact CG1-CD1 3.44Å; I200-Y207 VanDerWaalsContact CG1-CD1 3.44Å; I200-Y207 HydrophobicContact CG1-CE1 3.6Å; I200-Y207 HydrophobicContact CG1-CG 4.31Å; F203-Y207 WeakPolarHBondContact O-CB 3.39Å; F203-Y207 PolarHBondContact O-N 3.47Å; Y207-T209 PolarHBondContact O-N 3.27Å
208	P	91.3	Very high	89.8	Confident	21 Å²	21	73.2 Å²	73.2	14%	0.136	36%	0.355	C	S	.	.			trans	-68.1	101.2	175.1	25.2	-32.9	0	0	0	111.5	V206 E210 R211	V206-P208 WeakPolarHBondContact O-CD 3.42Å; P208-E210 VanDerWaalsContact CA-OE2 3.3Å; P208-E210 WeakPolarHBondContact CA-OE2 3.25Å; P208-E210 VanDerWaalsContact CB-CD 3.45Å; P208-E210 WeakPolarHBondContact CB-OE1 3.47Å; P208-E210 WeakPolarHBondContact CB-OE2 3.42Å; P208-E210 PolarHBondContact O-N 2.75Å; P208-R211 HydrophobicContact CB-CG 4.15Å; P208-R211 HydrophobicContact CG-CG 3.9Å; P208-R211 VanDerWaalsContact CG-CZ 3.44Å; P208-R211 WeakPolarHBondContact O-CB 3.47Å; P208-R211 PolarHBondContact O-N 3.03Å
209	T	88.1	Confident	89	Confident	91 Å²	91	75.2 Å²	75.2	56%	0.558	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-21.5	-176	55.5	0	0	0	0	114.2	R196 Y207 R211	R196-T209 PolarHBondContact NH2-O 3.17Å; Y207-T209 PolarHBondContact O-N 3.27Å; T209-R211 PolarHBondContact O-N 3.26Å
210	E	88.8	Confident	88.8	Confident	143 Å²	143	77.9 Å²	77.9	67%	0.668	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.7	175.2	71.2	-78.9	-173.7	0	0	113.1	P208 T212	P208-E210 VanDerWaalsContact CA-OE2 3.3Å; P208-E210 WeakPolarHBondContact CA-OE2 3.25Å; P208-E210 VanDerWaalsContact CB-CD 3.45Å; P208-E210 WeakPolarHBondContact CB-OE1 3.47Å; P208-E210 WeakPolarHBondContact CB-OE2 3.42Å; P208-E210 PolarHBondContact O-N 2.75Å; E210-T212 PolarHBondContact O-N 3.35Å
211	R	91.7	Very high	88.5	Confident	8 Å²	8	79.4 Å²	79.4	3%	0.03	39%	0.385	C	S	.	.			trans	-63.2	125.9	174.9	-69.9	-172.7	-174.4	173.6	-0.9	110.2	I142 P143 H144 F148 D149 Y150 R196 P208 T209	I142-R211 VanDerWaalsContact CG2-NH1 3.26Å; P143-R211 PolarHBondContact O-NH1 3.37Å; P143-R211 PolarHBondContact O-NH2 3.08Å; H144-R211 PolarHBondContact CE1-NH2 2.85Å; H144-R211 PolarHBondContact ND1-NH2 3.24Å; F148-R211 VanDerWaalsContact O-CD 3.31Å; F148-R211 WeakPolarHBondContact O-CD 3.3Å; F148-R211 PolarHBondContact O-NE 3.22Å; F148-R211 PolarHBondContact O-NH1 3.34Å; F148-R211 PolarHBondContact O-NH2 3.26Å; D149-R211 IonicContact OD1-NH2 3.94Å; Y150-R211 WeakPolarHBondContact O-CA 3.13Å; R196-R211 PolarHBondContact NE-O 3.4Å; R196-R211 PolarHBondContact NH2-O 3.47Å; P208-R211 HydrophobicContact CB-CG 4.15Å; P208-R211 HydrophobicContact CG-CG 3.9Å; P208-R211 VanDerWaalsContact CG-CZ 3.44Å; P208-R211 WeakPolarHBondContact O-CB 3.47Å; P208-R211 PolarHBondContact O-N 3.03Å; T209-R211 PolarHBondContact O-N 3.26Å
212	T	92.5	Very high	88.2	Confident	23 Å²	23	73.8 Å²	73.8	14%	0.141	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-70.7	161.7	170.1	49.1	0	0	0	0	110.9	Y150 V151 A152 E210 I215 F219	Y150-T212 PolarHBondContact O-N 2.92Å; Y150-T212 VanDerWaalsContact O-N 3.08Å; Y150-T212 PolarHBondContact O-OG1 3Å; V151-T212 CarbonylContact C-O 3.58Å; V151-T212 WeakPolarHBondContact CA-O 3.47Å; A152-T212 PolarHBondContact N-O 3.46Å; E210-T212 PolarHBondContact O-N 3.35Å; T212-I215 PolarHBondContact OG1-O 3.2Å; T212-F219 WeakPolarHBondContact CA-OXT 3.3Å; T212-F219 VanDerWaalsContact CB-C 3.47Å; T212-F219 WeakPolarHBondContact CB-O 3.18Å; T212-F219 VanDerWaalsContact CB-OXT 3.31Å; T212-F219 WeakPolarHBondContact CB-OXT 3.06Å
213	A	88.1	Confident	87.9	Confident	3 Å²	3	71.1 Å²	71.1	3%	0.025	36%	0.36	C	S	.	.	S	Bend	trans	-72.6	-45.4	-179	0	0	0	0	0	112	V151 C153 A192 R196 F219	V151-A213 VanDerWaalsContact CG1-O 3.3Å; V151-A213 WeakPolarHBondContact CG1-O 3.17Å; C153-A213 PolarHBondContact N-O 3.33Å; A192-A213 HydrophobicContact CB-CB 4.15Å; R196-A213 HydrophobicContact CB-CB 4.39Å; A213-F219 HydrophobicContact CB-CE1 4.21Å; A213-F219 HydrophobicContact CB-CZ 4.28Å; A213-F219 PolarHBondContact N-O 3.42Å; A213-F219 PolarHBondContact N-OXT 2.99Å
214	L	87.2	Confident	87.5	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.005	37%	0.372	C	S	.	.	S	Bend	trans	-142.1	-49.4	-166.6	-172.2	73	0	0	0	114.6	V151 F156 F157 I160 M189 A192 F219	V151-L214 VanDerWaalsContact CG1-C 3.48Å; V151-L214 VanDerWaalsContact CG1-CA 3.43Å; V151-L214 VanDerWaalsContact CG1-O 3.32Å; V151-L214 WeakPolarHBondContact CG1-O 3.16Å; F156-L214 HydrophobicContact CB-CD1 3.51Å; F157-L214 HydrophobicContact CB-CD1 3.8Å; F157-L214 HydrophobicContact CB-CG 4.08Å; F157-L214 WeakPolarHBondContact CB-O 3.26Å; I160-L214 HydrophobicContact CD1-CD1 4.46Å; I160-L214 HydrophobicContact CD1-CD2 3.7Å; M189-L214 HydrophobicContact CB-CD2 4.46Å; M189-L214 HydrophobicContact CG-CD2 3.59Å; A192-L214 HydrophobicContact CB-CB 3.98Å; A192-L214 HydrophobicContact CB-CD1 4Å; A192-L214 HydrophobicContact CB-CG 4.5Å; L214-F219 CarbonylContact C-O 3.51Å; L214-F219 WeakPolarHBondContact CA-O 3.32Å; L214-F219 HydrophobicContact CB-CD1 3.8Å; L214-F219 HydrophobicContact CB-CE1 4.02Å; L214-F219 HydrophobicContact CD2-CD1 4.31Å; L214-F219 HydrophobicContact CD2-CE1 4.33Å; L214-F219 PolarHBondContact N-O 3.38Å
215	I	83	Confident	87.1	Confident	56 Å²	56	71.9 Å²	71.9	29%	0.287	36%	0.357	S	S	.	.	S	Bend	trans	-108.3	119.7	-175.2	-55.4	176.8	0	0	0	108.7	F157 T212 Y217 I218 F219	F157-I215 HydrophobicContact CD2-CG1 4.07Å; F157-I215 HydrophobicContact CE2-CG1 4.11Å; T212-I215 PolarHBondContact OG1-O 3.2Å; I215-Y217 PolarHBondContact O-N 2.89Å; I215-I218 HydrophobicContact CB-CB 4.24Å; I215-I218 HydrophobicContact CG2-CB 3.95Å; I215-I218 HydrophobicContact CG2-CD1 4.01Å; I215-I218 HydrophobicContact CG2-CG1 4.25Å; I215-I218 PolarHBondContact O-N 3.28Å; I215-I218 VanDerWaalsContact O-N 3.13Å; I215-F219 HydrophobicContact CB-CB 4.47Å; I215-F219 PolarHBondContact N-O 2.89Å; I215-F219 PolarHBondContact O-N 2.89Å; I215-F219 VanDerWaalsContact O-N 3.07Å
216	P	80.8	Confident	86.7	Confident	25 Å²	25	63.6 Å²	63.6	16%	0.162	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	130.3	179.8	-23.5	30.3	0	0	0	111.6	W147 V151 I218	W147-P216 HydrophobicContact CE3-CG 3.89Å; W147-P216 HydrophobicContact CH2-CG 4.36Å; W147-P216 HydrophobicContact CZ3-CG 3.49Å; W147-P216 VanDerWaalsContact CZ3-CG 3.49Å; V151-P216 HydrophobicContact CG2-CB 4.21Å; V151-P216 HydrophobicContact CG2-CG 3.66Å; P216-I218 PolarHBondContact O-N 3.02Å
217	Y	78.5	Confident	86.1	Confident	190 Å²	190	60.7 Å²	60.7	75%	0.745	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	0.9	176	-43.5	-73.6	0	0	0	116.7	I215	I215-Y217 PolarHBondContact O-N 2.89Å
218	I	81.2	Confident	85.5	Confident	141 Å²	141	64.7 Å²	64.7	72%	0.723	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.9	-55.4	-179	-60.6	178.6	0	0	0	111.3	I215 P216	I215-I218 HydrophobicContact CB-CB 4.24Å; I215-I218 HydrophobicContact CG2-CB 3.95Å; I215-I218 HydrophobicContact CG2-CD1 4.01Å; I215-I218 HydrophobicContact CG2-CG1 4.25Å; I215-I218 PolarHBondContact O-N 3.28Å; I215-I218 VanDerWaalsContact O-N 3.13Å; P216-I218 PolarHBondContact O-N 3.02Å
219	F	75.3	Confident	85	Confident	74 Å²	74	68.6 Å²	68.6	33%	0.325	33%	0.334	S	S	.	.			trans	-144.2	0	-170.5	172.5	-112.5	0	0	0	112	M189 S193 T212 A213 L214 I215	M189-F219 HydrophobicContact CB-CE1 4.1Å; M189-F219 HydrophobicContact CE-CD1 4.07Å; M189-F219 HydrophobicContact CE-CE1 3.83Å; M189-F219 HydrophobicContact CE-CZ 4.18Å; M189-F219 HydrophobicContact CG-CE1 4.06Å; S193-F219 VanDerWaalsContact OG-CZ 3.25Å; S193-F219 WeakPolarHBondContact OG-CZ 3.35Å; T212-F219 WeakPolarHBondContact CA-OXT 3.3Å; T212-F219 VanDerWaalsContact CB-C 3.47Å; T212-F219 WeakPolarHBondContact CB-O 3.18Å; T212-F219 VanDerWaalsContact CB-OXT 3.31Å; T212-F219 WeakPolarHBondContact CB-OXT 3.06Å; A213-F219 HydrophobicContact CB-CE1 4.21Å; A213-F219 HydrophobicContact CB-CZ 4.28Å; A213-F219 PolarHBondContact N-O 3.42Å; A213-F219 PolarHBondContact N-OXT 2.99Å; L214-F219 CarbonylContact C-O 3.51Å; L214-F219 WeakPolarHBondContact CA-O 3.32Å; L214-F219 HydrophobicContact CB-CD1 3.8Å; L214-F219 HydrophobicContact CB-CE1 4.02Å; L214-F219 HydrophobicContact CD2-CD1 4.31Å; L214-F219 HydrophobicContact CD2-CE1 4.33Å; L214-F219 PolarHBondContact N-O 3.38Å; I215-F219 HydrophobicContact CB-CB 4.47Å; I215-F219 PolarHBondContact N-O 2.89Å; I215-F219 PolarHBondContact O-N 2.89Å; I215-F219 VanDerWaalsContact O-N 3.07Å

Retrieved 219 of 219 residues in 420.6 ms (Link to these results)

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