A0A077ZR35_TRITR Loading...

Nose resistant to fluoxetine protein 6

AlphaFold DB , UniProt , Accession A0A077ZR35, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 182 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	56	Low	235 Å²	235	139.2 Å²	139.2	100%	1.158	73%	0.728	S	S	*	*				0	66.2	0	-173.7	-159.4	-82.2	0	0	109.5
2	L	46.8	Very low	58	Low	142 Å²	142	143.6 Å²	143.6	74%	0.743	74%	0.737	S	S	*	*			trans	-138.5	64.1	170.4	-77.4	167.9	0	0	0	106.7	V40	L2-V40 HydrophobicContact CD1-CG1 4.3Å
3	Q	50.9	Low	59.9	Low	145 Å²	145	143.5 Å²	143.5	68%	0.678	72%	0.723	S	S	*	*			trans	-94.7	101.5	-178.3	-179.1	74.8	-27.4	0	0	106.2
4	K	50	Low	61.7	Low	128 Å²	128	139.1 Å²	139.1	56%	0.557	73%	0.733	S	S	*	*			trans	83.3	115.3	144.2	-60.1	176.7	171.7	168.5	0	117.7	Y6	K4-Y6 PolarHBondContact O-N 3.03Å
5	C	58.1	Low	63.1	Low	100 Å²	100	135.3 Å²	135.3	68%	0.676	73%	0.728	S	S	*	*	S	Bend	trans	-57.2	27.5	152.8	-102.6	0	0	0	0	113	C42	C5-C42 HydrophobicContact CB-CB 4.25Å; C5-C42 WeakPolarHBondContact CB-SG 3.17Å; C5-C42 WeakPolarHBondContact SG-CB 3.49Å; C5-C42 CovalentContact SG-SG 2.08Å; C5-C42 PolarHBondContact SG-SG 2.74Å
6	Y	57.1	Low	64.6	Low	171 Å²	171	135.4 Å²	135.4	67%	0.671	74%	0.741	S	S	*	*			trans	-119.6	111.2	-169.3	-161.2	-98.8	0	0	0	106	K4	K4-Y6 PolarHBondContact O-N 3.03Å
7	D	57.4	Low	65.7	Low	118 Å²	118	132.5 Å²	132.5	63%	0.631	72%	0.724	S	S	*	*	S	Bend	cis	-150.8	143.3	40.4	-84.5	-49.2	0	0	0	112.3
8	A	58.3	Low	66.8	Low	103 Å²	103	130.2 Å²	130.2	85%	0.851	72%	0.716	S	S	*	*	S	Bend	trans	86.5	20.9	156.7	0	0	0	0	0	121.3
9	F	64.9	Low	67.4	Low	174 Å²	174	130.1 Å²	130.1	76%	0.763	73%	0.726	S	S	*	*			trans	-133.1	99.4	160.6	-156	-123	0	0	0	112.4	I11	F9-I11 HydrophobicContact CD1-CB 4.43Å; F9-I11 HydrophobicContact CD1-CD1 3.75Å; F9-I11 HydrophobicContact CD1-CG1 3.14Å; F9-I11 HydrophobicContact CE1-CB 4.5Å; F9-I11 HydrophobicContact CE1-CD1 4.07Å; F9-I11 HydrophobicContact CE1-CG1 3.44Å; F9-I11 VanDerWaalsContact CE1-CG1 3.44Å; F9-I11 HydrophobicContact CG-CG1 4.2Å; F9-I11 PolarHBondContact O-N 2.93Å
10	S	69.3	Low	68.1	Low	96 Å²	96	129.9 Å²	129.9	67%	0.671	73%	0.728	S	S	*	*			trans	-73.6	92.8	166.8	-175.8	0	0	0	0	108	K12	S10-K12 PolarHBondContact O-N 3.32Å; S10-K12 VanDerWaalsContact O-N 3.1Å
11	I	69.8	Low	68.8	Low	119 Å²	119	125.7 Å²	125.7	61%	0.61	71%	0.707	S	S	*	*			trans	-74.5	100	172.8	-57.9	179.2	0	0	0	107.8	F9 Y13	F9-I11 HydrophobicContact CD1-CB 4.43Å; F9-I11 HydrophobicContact CD1-CD1 3.75Å; F9-I11 HydrophobicContact CD1-CG1 3.14Å; F9-I11 HydrophobicContact CE1-CB 4.5Å; F9-I11 HydrophobicContact CE1-CD1 4.07Å; F9-I11 HydrophobicContact CE1-CG1 3.44Å; F9-I11 VanDerWaalsContact CE1-CG1 3.44Å; F9-I11 HydrophobicContact CG-CG1 4.2Å; F9-I11 PolarHBondContact O-N 2.93Å; I11-Y13 HydrophobicContact CG2-CD1 4.35Å
12	K	80.5	Confident	71.1	Confident	192 Å²	192	117.2 Å²	117.2	84%	0.835	67%	0.671	S	S	*	*			trans	-90	111.9	166.2	-66.9	-176.5	179.8	-178.6	0	108.3	S10	S10-K12 PolarHBondContact O-N 3.32Å; S10-K12 VanDerWaalsContact O-N 3.1Å
13	Y	82.3	Confident	72.7	Confident	142 Å²	142	112.3 Å²	112.3	56%	0.557	65%	0.648	S	S	*	*			trans	-117.1	140.1	170.5	68.2	-83.8	0	0	0	108.7	I11 L44	I11-Y13 HydrophobicContact CG2-CD1 4.35Å; Y13-L44 HydrophobicContact CE1-CD1 4.19Å
14	G	84.8	Confident	74.3	Confident	83 Å²	83	111.8 Å²	111.8	86%	0.856	65%	0.646	S	S	*	*			trans	-124.4	130.5	173.7	0	0	0	0	0	108.7
15	A	83	Confident	76	Confident	81 Å²	81	109.1 Å²	109.1	67%	0.669	64%	0.638	S	S	*	*			trans	-109.4	138.7	171.5	0	0	0	0	0	108.8
16	C	86.3	Confident	77.2	Confident	138 Å²	138	105.1 Å²	105.1	93%	0.932	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-78.3	126.1	170.4	-75.2	0	0	0	0	109.2
17	L	83.9	Confident	78.5	Confident	86 Å²	86	105 Å²	105	45%	0.45	61%	0.61	S	S	.	*	P	Polyproline II helix	trans	-90.2	148.9	169.5	-76.3	77.7	0	0	0	109.2	C21 A26	L17-C21 HydrophobicContact CB-CB 4.14Å; L17-C21 HydrophobicContact CD2-CB 4.34Å; L17-C21 WeakPolarHBondContact CD2-SG 2.96Å; L17-A26 HydrophobicContact CD2-CB 4.24Å
18	P	84.6	Confident	79.8	Confident	90 Å²	90	105.4 Å²	105.4	58%	0.584	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-60.2	152.9	176.3	24.7	-33.1	0	0	0	111.4	T20 C21	P18-T20 PolarHBondContact O-N 2.79Å; P18-T20 VanDerWaalsContact O-N 3.09Å; P18-C21 HydrophobicContact CG-CB 4.41Å; P18-C21 WeakPolarHBondContact O-CB 3.33Å; P18-C21 PolarHBondContact O-N 3Å
19	S	78.8	Confident	81	Confident	128 Å²	128	105 Å²	105	90%	0.895	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-18.8	-175.3	55	0	0	0	0	114.7	C21	S19-C21 VanDerWaalsContact C-N 3.27Å
20	T	81.2	Confident	81.8	Confident	126 Å²	126	97.7 Å²	97.7	77%	0.773	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	-13.9	175.6	49.4	0	0	0	0	113.3	P18	P18-T20 PolarHBondContact O-N 2.79Å; P18-T20 VanDerWaalsContact O-N 3.09Å
21	C	82.4	Confident	82.5	Confident	42 Å²	42	99.5 Å²	99.5	28%	0.284	56%	0.562	S	S	.	*			trans	-81.8	128.8	-175.8	-168.4	0	0	0	0	111.2	L17 P18 S19 D25	L17-C21 HydrophobicContact CB-CB 4.14Å; L17-C21 HydrophobicContact CD2-CB 4.34Å; L17-C21 WeakPolarHBondContact CD2-SG 2.96Å; P18-C21 HydrophobicContact CG-CB 4.41Å; P18-C21 WeakPolarHBondContact O-CB 3.33Å; P18-C21 PolarHBondContact O-N 3Å; S19-C21 VanDerWaalsContact C-N 3.27Å; C21-D25 WeakPolarHBondContact SG-CB 3.37Å
22	S	83.3	Confident	83.1	Confident	57 Å²	57	99 Å²	99	40%	0.399	56%	0.56	S	S	.	*			trans	-89.3	162.8	178.8	-175.7	0	0	0	0	111.6	H24 D25 A26	S22-H24 PolarHBondContact O-N 3.45Å; S22-H24 VanDerWaalsContact O-N 3.09Å; S22-D25 PolarHBondContact N-OD2 2.81Å; S22-D25 PolarHBondContact O-N 3.08Å; S22-A26 PolarHBondContact O-N 2.88Å; S22-A26 VanDerWaalsContact O-N 3.17Å
23	S	79.8	Confident	83.1	Confident	39 Å²	39	92.3 Å²	92.3	27%	0.273	53%	0.533	S	S	.	.	H	α-helix	trans	-59.7	-22.5	174	53.5	0	0	0	0	112.8	R27 R50	S23-R27 VanDerWaalsContact O-CG 3.27Å; S23-R27 WeakPolarHBondContact O-CG 3.43Å; S23-R27 PolarHBondContact O-N 3.01Å; S23-R50 PolarHBondContact OG-NH2 2.93Å
24	H	84.3	Confident	83	Confident	134 Å²	134	89 Å²	89	62%	0.62	53%	0.525	S	S	*	.	H	α-helix	trans	-67.3	-46.7	173.9	-171.9	-71.7	0	0	0	111.5	S22 A26 R27 M28	S22-H24 PolarHBondContact O-N 3.45Å; S22-H24 VanDerWaalsContact O-N 3.09Å; H24-A26 VanDerWaalsContact C-N 3.34Å; H24-A26 PolarHBondContact O-N 3.36Å; H24-R27 PolarHBondContact O-N 2.81Å; H24-M28 PolarHBondContact O-N 3.05Å
25	D	86.1	Confident	82.8	Confident	73 Å²	73	89.9 Å²	89.9	39%	0.39	51%	0.514	S	S	.	.	H	α-helix	trans	-65.9	-39.7	180	-53.2	-34.7	0	0	0	110.9	C21 S22 R27 M28 L29	C21-D25 WeakPolarHBondContact SG-CB 3.37Å; S22-D25 PolarHBondContact N-OD2 2.81Å; S22-D25 PolarHBondContact O-N 3.08Å; D25-R27 VanDerWaalsContact C-N 3.34Å; D25-R27 PolarHBondContact O-N 3.32Å; D25-M28 WeakPolarHBondContact O-CB 3.39Å; D25-M28 PolarHBondContact O-N 3.38Å; D25-L29 PolarHBondContact O-N 3.46Å
26	A	82.9	Confident	82.5	Confident	15 Å²	15	90.3 Å²	90.3	12%	0.124	51%	0.508	C	S	.	.	H	α-helix	trans	-61.3	-41.4	175.1	0	0	0	0	0	112.2	L17 S22 H24 L29 A30	L17-A26 HydrophobicContact CD2-CB 4.24Å; S22-A26 PolarHBondContact O-N 2.88Å; S22-A26 VanDerWaalsContact O-N 3.17Å; H24-A26 VanDerWaalsContact C-N 3.34Å; H24-A26 PolarHBondContact O-N 3.36Å; A26-L29 PolarHBondContact O-N 2.91Å; A26-A30 WeakPolarHBondContact O-CB 3.43Å; A26-A30 PolarHBondContact O-N 2.95Å
27	R	84.4	Confident	81.8	Confident	169 Å²	169	87.2 Å²	87.2	64%	0.638	48%	0.482	S	S	*	.	H	α-helix	trans	-66.2	-38.4	174.4	-74.5	173.8	-176	170.3	1.3	112.3	S23 H24 D25 L29 A30 Q31	S23-R27 VanDerWaalsContact O-CG 3.27Å; S23-R27 WeakPolarHBondContact O-CG 3.43Å; S23-R27 PolarHBondContact O-N 3.01Å; H24-R27 PolarHBondContact O-N 2.81Å; D25-R27 VanDerWaalsContact C-N 3.34Å; D25-R27 PolarHBondContact O-N 3.32Å; R27-L29 VanDerWaalsContact C-N 3.34Å; R27-A30 WeakPolarHBondContact O-CB 3.39Å; R27-A30 PolarHBondContact O-N 3.24Å; R27-Q31 WeakPolarHBondContact O-CG 3.43Å; R27-Q31 PolarHBondContact O-N 3.01Å
28	M	84.8	Confident	80.9	Confident	127 Å²	127	84.8 Å²	84.8	63%	0.626	48%	0.478	S	S	*	.	H	α-helix	trans	-62.4	-43.9	176.5	-164.3	-155.6	-159.4	0	0	111.1	H24 D25 Q31 L32	H24-M28 PolarHBondContact O-N 3.05Å; D25-M28 WeakPolarHBondContact O-CB 3.39Å; D25-M28 PolarHBondContact O-N 3.38Å; M28-Q31 PolarHBondContact O-N 3.29Å; M28-L32 PolarHBondContact O-N 3.06Å
29	L	83.7	Confident	79.8	Confident	94 Å²	94	83.9 Å²	83.9	49%	0.492	49%	0.485	S	S	.	.	H	α-helix	trans	-63.4	-40.9	175.6	-126.7	149.8	0	0	0	111.6	D25 A26 R27 L32 L33	D25-L29 PolarHBondContact O-N 3.46Å; A26-L29 PolarHBondContact O-N 2.91Å; R27-L29 VanDerWaalsContact C-N 3.34Å; L29-L32 PolarHBondContact O-N 3.34Å; L29-L33 HydrophobicContact CD2-CD1 4.14Å; L29-L33 WeakPolarHBondContact O-CG 3.18Å; L29-L33 PolarHBondContact O-N 3.11Å
30	A	81.5	Confident	79	Confident	20 Å²	20	81 Å²	81	17%	0.165	46%	0.462	C	S	.	.	H	α-helix	trans	-62	-43.2	174.9	0	0	0	0	0	112.5	A26 R27 L33 N34 V46	A26-A30 WeakPolarHBondContact O-CB 3.43Å; A26-A30 PolarHBondContact O-N 2.95Å; R27-A30 WeakPolarHBondContact O-CB 3.39Å; R27-A30 PolarHBondContact O-N 3.24Å; A30-L33 PolarHBondContact O-N 3.11Å; A30-N34 WeakPolarHBondContact O-CB 3.43Å; A30-N34 PolarHBondContact O-N 3.46Å; A30-V46 HydrophobicContact CB-CB 3.75Å; A30-V46 HydrophobicContact CB-CG1 4.04Å; A30-V46 HydrophobicContact CB-CG2 3.66Å
31	Q	83.1	Confident	78	Confident	134 Å²	134	77.7 Å²	77.7	63%	0.626	45%	0.453	S	S	*	.	H	α-helix	trans	-62.9	-43.5	175.7	-73.9	175.4	-25.6	0	0	111.4	R27 M28 L33 N34 T35	R27-Q31 WeakPolarHBondContact O-CG 3.43Å; R27-Q31 PolarHBondContact O-N 3.01Å; M28-Q31 PolarHBondContact O-N 3.29Å; Q31-L33 PolarHBondContact O-N 3.38Å; Q31-N34 PolarHBondContact O-N 2.73Å; Q31-T35 WeakPolarHBondContact O-CG2 3.35Å; Q31-T35 PolarHBondContact O-N 3.27Å; Q31-T35 PolarHBondContact O-OG1 3.13Å
32	L	83.1	Confident	77.3	Confident	108 Å²	108	77.4 Å²	77.4	57%	0.565	45%	0.451	S	S	*	.	H	α-helix	trans	-61.4	-44.4	177.2	-174	65.4	0	0	0	111.6	M28 L29 T35 T36	M28-L32 PolarHBondContact O-N 3.06Å; L29-L32 PolarHBondContact O-N 3.34Å; L32-T35 PolarHBondContact O-N 3.09Å; L32-T35 PolarHBondContact O-OG1 2.69Å; L32-T36 PolarHBondContact O-N 3.19Å; L32-T36 PolarHBondContact O-OG1 3.21Å
33	L	79.7	Confident	76.7	Confident	52 Å²	52	83.6 Å²	83.6	27%	0.272	47%	0.473	S	S	.	.	H	α-helix	trans	-64	-42.3	176.3	-73.4	165.5	0	0	0	112	L29 A30 Q31 T35 T36 L37 L44	L29-L33 HydrophobicContact CD2-CD1 4.14Å; L29-L33 WeakPolarHBondContact O-CG 3.18Å; L29-L33 PolarHBondContact O-N 3.11Å; A30-L33 PolarHBondContact O-N 3.11Å; Q31-L33 PolarHBondContact O-N 3.38Å; L33-T35 VanDerWaalsContact C-N 3.3Å; L33-T35 PolarHBondContact O-N 3.02Å; L33-T36 WeakPolarHBondContact CA-OG1 3.22Å; L33-T36 PolarHBondContact O-N 2.77Å; L33-T36 PolarHBondContact O-OG1 2.92Å; L33-L37 HydrophobicContact CD2-CD1 3.96Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 WeakPolarHBondContact O-CD1 3.39Å; L33-L37 PolarHBondContact O-N 3.16Å; L33-L44 HydrophobicContact CB-CD2 3.78Å; L33-L44 HydrophobicContact CD1-CD2 4.22Å
34	N	82.1	Confident	76.2	Confident	72 Å²	72	84.1 Å²	84.1	39%	0.385	47%	0.472	S	S	.	.	H	α-helix	trans	-66.8	-31.7	177.9	-161.3	31.6	0	0	0	112	A30 Q31 G38	A30-N34 WeakPolarHBondContact O-CB 3.43Å; A30-N34 PolarHBondContact O-N 3.46Å; Q31-N34 PolarHBondContact O-N 2.73Å; N34-G38 WeakPolarHBondContact O-CA 3.08Å; N34-G38 PolarHBondContact O-N 3.05Å
35	T	79.4	Confident	75.7	Confident	103 Å²	103	82.3 Å²	82.3	63%	0.632	48%	0.481	S	S	*	.	H	α-helix	trans	-75.8	-39.4	174.8	57.4	0	0	0	0	113	Q31 L32 L33	Q31-T35 WeakPolarHBondContact O-CG2 3.35Å; Q31-T35 PolarHBondContact O-N 3.27Å; Q31-T35 PolarHBondContact O-OG1 3.13Å; L32-T35 PolarHBondContact O-N 3.09Å; L32-T35 PolarHBondContact O-OG1 2.69Å; L33-T35 VanDerWaalsContact C-N 3.3Å; L33-T35 PolarHBondContact O-N 3.02Å
36	T	77.9	Confident	75.2	Confident	89 Å²	89	82.3 Å²	82.3	55%	0.546	48%	0.484	S	S	.	.	H	α-helix	trans	-77.1	-39.5	-179.1	41.1	0	0	0	0	112.8	L32 L33	L32-T36 PolarHBondContact O-N 3.19Å; L32-T36 PolarHBondContact O-OG1 3.21Å; L33-T36 WeakPolarHBondContact CA-OG1 3.22Å; L33-T36 PolarHBondContact O-N 2.77Å; L33-T36 PolarHBondContact O-OG1 2.92Å
37	L	71.5	Confident	75	Confident	74 Å²	74	88.9 Å²	88.9	39%	0.387	52%	0.517	S	S	.	.	H	α-helix	trans	-95.7	-22	177.9	-72.4	79.6	0	0	0	113.2	L33 G39 V40	L33-L37 HydrophobicContact CD2-CD1 3.96Å; L33-L37 WeakPolarHBondContact O-CB 3.35Å; L33-L37 WeakPolarHBondContact O-CD1 3.39Å; L33-L37 PolarHBondContact O-N 3.16Å; L37-G39 PolarHBondContact O-N 3.02Å; L37-V40 HydrophobicContact CB-CG2 4.42Å; L37-V40 WeakPolarHBondContact O-CG2 3.45Å; L37-V40 PolarHBondContact O-N 2.75Å
38	G	64.7	Low	74.7	Confident	34 Å²	34	83.6 Å²	83.6	35%	0.351	51%	0.505	S	S	.	.	H	α-helix	trans	-64	-22.9	175	0	0	0	0	0	112.6	N34 V40 G41	N34-G38 WeakPolarHBondContact O-CA 3.08Å; N34-G38 PolarHBondContact O-N 3.05Å; G38-V40 PolarHBondContact O-N 3.1Å; G38-G41 PolarHBondContact O-N 3.3Å; G38-G41 VanDerWaalsContact O-N 3.13Å
39	G	61.3	Low	74.4	Confident	71 Å²	71	85.6 Å²	85.6	73%	0.732	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-21.4	169	0	0	0	0	0	114.2	L37	L37-G39 PolarHBondContact O-N 3.02Å
40	V	61.2	Low	73.8	Confident	69 Å²	69	88.2 Å²	88.2	42%	0.418	52%	0.516	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	11.8	174.9	-58.7	0	0	0	0	113.5	L2 L37 G38	L2-V40 HydrophobicContact CD1-CG1 4.3Å; L37-V40 HydrophobicContact CB-CG2 4.42Å; L37-V40 WeakPolarHBondContact O-CG2 3.45Å; L37-V40 PolarHBondContact O-N 2.75Å; G38-V40 PolarHBondContact O-N 3.1Å
41	G	60.6	Low	73.1	Confident	56 Å²	56	98.4 Å²	98.4	58%	0.577	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.2	30.5	168.9	0	0	0	0	0	115.9	G38	G38-G41 PolarHBondContact O-N 3.3Å; G38-G41 VanDerWaalsContact O-N 3.13Å
42	C	67.4	Low	72.1	Confident	36 Å²	36	97.6 Å²	97.6	24%	0.243	55%	0.546	C	S	.	.			trans	-119.9	120.6	174.1	-46.8	0	0	0	0	109.9	C5 L44	C5-C42 HydrophobicContact CB-CB 4.25Å; C5-C42 WeakPolarHBondContact CB-SG 3.17Å; C5-C42 WeakPolarHBondContact SG-CB 3.49Å; C5-C42 CovalentContact SG-SG 2.08Å; C5-C42 PolarHBondContact SG-SG 2.74Å; C42-L44 PolarHBondContact O-N 3.41Å
43	E	70.5	Confident	71	Confident	186 Å²	186	100.5 Å²	100.5	87%	0.869	56%	0.557	S	S	*	*			trans	-82.5	104.4	174.4	-173.7	174.6	149.6	0	0	108.8	A45	E43-A45 PolarHBondContact O-N 2.89Å
44	L	70.1	Confident	69.7	Low	50 Å²	50	101.3 Å²	101.3	26%	0.262	56%	0.561	S	S	.	*			trans	-87.1	103.5	-176.9	-169.4	71.9	0	0	0	110.1	Y13 L33 C42 V46	Y13-L44 HydrophobicContact CE1-CD1 4.19Å; L33-L44 HydrophobicContact CB-CD2 3.78Å; L33-L44 HydrophobicContact CD1-CD2 4.22Å; C42-L44 PolarHBondContact O-N 3.41Å; L44-V46 HydrophobicContact CD2-CG2 3.98Å; L44-V46 HydrophobicContact CG-CG2 4.02Å; L44-V46 PolarHBondContact O-N 3Å
45	A	73.8	Confident	68.6	Low	97 Å²	97	101.2 Å²	101.2	80%	0.802	57%	0.571	S	S	*	*			trans	-80.8	110	170.4	0	0	0	0	0	110	E43	E43-A45 PolarHBondContact O-N 2.89Å
46	V	75	Confident	67.7	Low	73 Å²	73	101.1 Å²	101.1	44%	0.442	57%	0.566	S	S	.	*			trans	-101	116.4	175.9	-178.7	0	0	0	0	109	A30 L44	A30-V46 HydrophobicContact CB-CB 3.75Å; A30-V46 HydrophobicContact CB-CG1 4.04Å; A30-V46 HydrophobicContact CB-CG2 3.66Å; L44-V46 HydrophobicContact CD2-CG2 3.98Å; L44-V46 HydrophobicContact CG-CG2 4.02Å; L44-V46 PolarHBondContact O-N 3Å
47	D	80	Confident	66.9	Low	153 Å²	153	100 Å²	100	82%	0.818	57%	0.566	S	S	*	*			trans	-99.7	134.2	170.4	-168.4	18.4	0	0	0	110
48	C	78.2	Confident	67	Low	58 Å²	58	100.6 Å²	100.6	39%	0.392	57%	0.569	S	S	.	*			trans	-111.7	96.7	-175.7	-73.3	0	0	0	0	109.4	R50	C48-R50 PolarHBondContact O-N 3.33Å
49	H	77.1	Confident	67.6	Low	169 Å²	169	104.9 Å²	104.9	78%	0.782	58%	0.579	S	S	*	*			trans	-82.8	98	168.8	-155.3	78.2	0	0	0	109	R51	H49-R51 PolarHBondContact O-N 2.75Å
50	R	71.7	Confident	68.4	Low	149 Å²	149	102.4 Å²	102.4	56%	0.562	55%	0.553	S	S	*	*			trans	-63.8	126.6	166.5	-173.8	-178.9	-67.9	166.7	-1.5	106.3	S23 C48 Q52	S23-R50 PolarHBondContact OG-NH2 2.93Å; C48-R50 PolarHBondContact O-N 3.33Å; R50-Q52 PolarHBondContact O-N 3.25Å
51	R	66.3	Low	69.4	Low	233 Å²	233	103.1 Å²	103.1	88%	0.879	55%	0.554	S	S	*	*			trans	-64	82.4	163.9	-170	179.2	-153.6	-136.6	4.1	106.7	H49 E53	H49-R51 PolarHBondContact O-N 2.75Å; R51-E53 PolarHBondContact O-N 2.89Å
52	Q	62	Low	70.6	Confident	117 Å²	117	105.5 Å²	105.5	55%	0.547	55%	0.552	S	S	.	*			trans	-58.8	125.9	162.6	-179.5	68.2	34.1	0	0	103.8	R50 N54	R50-Q52 PolarHBondContact O-N 3.25Å; Q52-N54 WeakPolarHBondContact CB-OD1 3.2Å; Q52-N54 WeakPolarHBondContact CG-OD1 3.33Å; Q52-N54 PolarHBondContact O-N 3.17Å; Q52-N54 PolarHBondContact O-OD1 3.15Å
53	E	59.7	Low	71.4	Confident	169 Å²	169	106.2 Å²	106.2	79%	0.79	55%	0.553	S	S	*	*			trans	-64.1	81.3	165.3	-59.5	-178.4	163.9	0	0	104.5	R51 A55	R51-E53 PolarHBondContact O-N 2.89Å; E53-A55 PolarHBondContact O-N 2.96Å; E53-A55 VanDerWaalsContact O-N 3.1Å
54	N	53.6	Low	72.1	Confident	69 Å²	69	99 Å²	99	37%	0.369	52%	0.522	S	S	.	.			trans	-59.9	122.9	-174.8	-63.9	-20.8	0	0	0	104.5	Q52 D56 A57	Q52-N54 WeakPolarHBondContact CB-OD1 3.2Å; Q52-N54 WeakPolarHBondContact CG-OD1 3.33Å; Q52-N54 PolarHBondContact O-N 3.17Å; Q52-N54 PolarHBondContact O-OD1 3.15Å; N54-D56 HydrophobicContact CB-CB 4.02Å; N54-D56 PolarHBondContact O-N 3.4Å; N54-A57 WeakPolarHBondContact O-CB 3.24Å; N54-A57 PolarHBondContact O-N 3.32Å
55	A	58.4	Low	72.9	Confident	71 Å²	71	101 Å²	101	59%	0.587	53%	0.532	S	S	*	.	H	α-helix	trans	-50.1	-25.2	167	0	0	0	0	0	110.7	E53 A57 N58 F59	E53-A55 PolarHBondContact O-N 2.96Å; E53-A55 VanDerWaalsContact O-N 3.1Å; A55-A57 PolarHBondContact O-N 2.92Å; A55-N58 VanDerWaalsContact O-CB 3.32Å; A55-N58 WeakPolarHBondContact O-CB 3.17Å; A55-N58 PolarHBondContact O-N 3.4Å; A55-N58 VanDerWaalsContact O-N 3.14Å; A55-F59 PolarHBondContact O-N 2.78Å
56	D	61.1	Low	73.6	Confident	101 Å²	101	98.8 Å²	98.8	54%	0.54	51%	0.513	S	S	.	.	H	α-helix	trans	-61	-39	172.8	-47.9	-29.8	0	0	0	113.2	N54 N58 F59 G60 I182	N54-D56 HydrophobicContact CB-CB 4.02Å; N54-D56 PolarHBondContact O-N 3.4Å; D56-N58 VanDerWaalsContact C-N 3.27Å; D56-N58 PolarHBondContact O-N 3.44Å; D56-F59 PolarHBondContact O-N 3.45Å; D56-G60 PolarHBondContact O-N 2.82Å; D56-I182 HydrophobicContact CB-CG2 4.45Å
57	A	60.6	Low	74.2	Confident	64 Å²	64	97.9 Å²	97.9	53%	0.529	50%	0.504	S	S	.	.	H	α-helix	trans	-66.1	-32.3	174.8	0	0	0	0	0	111.7	N54 A55 L61	N54-A57 WeakPolarHBondContact O-CB 3.24Å; N54-A57 PolarHBondContact O-N 3.32Å; A55-A57 PolarHBondContact O-N 2.92Å; A57-L61 VanDerWaalsContact O-CB 3.32Å; A57-L61 WeakPolarHBondContact O-CB 3.42Å; A57-L61 PolarHBondContact O-N 2.72Å; A57-L61 VanDerWaalsContact O-N 3.09Å
58	N	72.8	Confident	74.6	Confident	87 Å²	87	95.9 Å²	95.9	47%	0.465	49%	0.492	S	S	.	.	H	α-helix	trans	-67.1	-38.4	175.5	-62.4	-32.2	0	0	0	111	A55 D56 L61 I62	A55-N58 VanDerWaalsContact O-CB 3.32Å; A55-N58 WeakPolarHBondContact O-CB 3.17Å; A55-N58 PolarHBondContact O-N 3.4Å; A55-N58 VanDerWaalsContact O-N 3.14Å; D56-N58 VanDerWaalsContact C-N 3.27Å; D56-N58 PolarHBondContact O-N 3.44Å; N58-L61 PolarHBondContact O-N 3.26Å; N58-I62 HydrophobicContact CB-CD1 4.43Å; N58-I62 WeakPolarHBondContact O-CB 3.41Å; N58-I62 VanDerWaalsContact O-CD1 3.29Å; N58-I62 WeakPolarHBondContact O-CD1 3.28Å; N58-I62 WeakPolarHBondContact O-CG1 3.45Å; N58-I62 PolarHBondContact O-N 2.78Å
59	F	78.8	Confident	75.2	Confident	125 Å²	125	97.4 Å²	97.4	55%	0.548	50%	0.5	S	S	.	.	H	α-helix	trans	-63.3	-47.5	179.3	-173.8	-107.1	0	0	0	112.1	A55 D56 L61 I62 I63	A55-F59 PolarHBondContact O-N 2.78Å; D56-F59 PolarHBondContact O-N 3.45Å; F59-L61 VanDerWaalsContact C-N 3.34Å; F59-L61 PolarHBondContact O-N 3.09Å; F59-I62 PolarHBondContact O-N 3.19Å; F59-I63 HydrophobicContact CD1-CD1 3.66Å; F59-I63 HydrophobicContact CE1-CD1 3.2Å; F59-I63 HydrophobicContact CE1-CG1 4.33Å; F59-I63 HydrophobicContact CE2-CD1 4.18Å; F59-I63 HydrophobicContact CG-CD1 4.34Å; F59-I63 HydrophobicContact CZ-CD1 3.5Å; F59-I63 HydrophobicContact CZ-CG1 4.35Å; F59-I63 WeakPolarHBondContact O-CG1 2.96Å; F59-I63 PolarHBondContact O-N 3.41Å
60	G	77.6	Confident	75.8	Confident	18 Å²	18	93.2 Å²	93.2	19%	0.186	49%	0.486	C	S	.	.	H	α-helix	trans	-61.3	-41.6	175.6	0	0	0	0	0	112.7	D56 I63 T64	D56-G60 PolarHBondContact O-N 2.82Å; G60-I63 PolarHBondContact O-N 2.95Å; G60-T64 WeakPolarHBondContact O-CG2 3.34Å; G60-T64 PolarHBondContact O-N 2.95Å; G60-T64 PolarHBondContact O-OG1 3.23Å
61	L	81.9	Confident	76.6	Confident	85 Å²	85	88.6 Å²	88.6	45%	0.445	47%	0.474	S	S	.	.	H	α-helix	trans	-63.3	-45	174.9	-174.5	159.5	0	0	0	111.7	A57 N58 F59 I63 T64 I65	A57-L61 VanDerWaalsContact O-CB 3.32Å; A57-L61 WeakPolarHBondContact O-CB 3.42Å; A57-L61 PolarHBondContact O-N 2.72Å; A57-L61 VanDerWaalsContact O-N 3.09Å; N58-L61 PolarHBondContact O-N 3.26Å; F59-L61 VanDerWaalsContact C-N 3.34Å; F59-L61 PolarHBondContact O-N 3.09Å; L61-I63 VanDerWaalsContact C-N 3.34Å; L61-I63 PolarHBondContact O-N 3.36Å; L61-T64 WeakPolarHBondContact CA-OG1 3.46Å; L61-T64 PolarHBondContact O-N 2.92Å; L61-T64 PolarHBondContact O-OG1 3.28Å; L61-I65 HydrophobicContact CD2-CD1 3.3Å; L61-I65 HydrophobicContact CD2-CG1 4Å; L61-I65 HydrophobicContact CG-CD1 4.25Å; L61-I65 WeakPolarHBondContact O-CB 3.43Å; L61-I65 WeakPolarHBondContact O-CG1 3.26Å; L61-I65 PolarHBondContact O-N 2.76Å
62	I	85.9	Confident	77.6	Confident	105 Å²	105	79.7 Å²	79.7	54%	0.538	45%	0.451	S	S	.	.	H	α-helix	trans	-61.6	-44.2	178.9	-70.7	160.2	0	0	0	110.4	N58 F59 I65 A66	N58-I62 HydrophobicContact CB-CD1 4.43Å; N58-I62 WeakPolarHBondContact O-CB 3.41Å; N58-I62 VanDerWaalsContact O-CD1 3.29Å; N58-I62 WeakPolarHBondContact O-CD1 3.28Å; N58-I62 WeakPolarHBondContact O-CG1 3.45Å; N58-I62 PolarHBondContact O-N 2.78Å; F59-I62 PolarHBondContact O-N 3.19Å; I62-I65 PolarHBondContact O-N 2.56Å; I62-A66 VanDerWaalsContact O-CB 3.23Å; I62-A66 WeakPolarHBondContact O-CB 3.45Å; I62-A66 PolarHBondContact O-N 3.17Å
63	I	85.1	Confident	79.1	Confident	52 Å²	52	79.3 Å²	79.3	27%	0.267	45%	0.447	S	S	.	.	H	α-helix	trans	-62.3	-46.6	177.8	-70.6	172.8	0	0	0	111.1	F59 G60 L61 A66 F67	F59-I63 HydrophobicContact CD1-CD1 3.66Å; F59-I63 HydrophobicContact CE1-CD1 3.2Å; F59-I63 HydrophobicContact CE1-CG1 4.33Å; F59-I63 HydrophobicContact CE2-CD1 4.18Å; F59-I63 HydrophobicContact CG-CD1 4.34Å; F59-I63 HydrophobicContact CZ-CD1 3.5Å; F59-I63 HydrophobicContact CZ-CG1 4.35Å; F59-I63 WeakPolarHBondContact O-CG1 2.96Å; F59-I63 PolarHBondContact O-N 3.41Å; G60-I63 PolarHBondContact O-N 2.95Å; L61-I63 VanDerWaalsContact C-N 3.34Å; L61-I63 PolarHBondContact O-N 3.36Å; I63-A66 PolarHBondContact O-N 2.82Å; I63-F67 WeakPolarHBondContact O-CB 3.09Å; I63-F67 PolarHBondContact O-N 2.86Å
64	T	83.5	Confident	80.4	Confident	33 Å²	33	76.4 Å²	76.4	20%	0.202	44%	0.437	C	S	.	.	H	α-helix	trans	-63.2	-44	179.8	48.3	0	0	0	0	111.8	G60 L61 F67 L68 Y179	G60-T64 WeakPolarHBondContact O-CG2 3.34Å; G60-T64 PolarHBondContact O-N 2.95Å; G60-T64 PolarHBondContact O-OG1 3.23Å; L61-T64 WeakPolarHBondContact CA-OG1 3.46Å; L61-T64 PolarHBondContact O-N 2.92Å; L61-T64 PolarHBondContact O-OG1 3.28Å; T64-F67 PolarHBondContact O-N 3.44Å; T64-L68 WeakPolarHBondContact O-CB 3.45Å; T64-L68 VanDerWaalsContact O-CG 3.3Å; T64-L68 WeakPolarHBondContact O-CG 3.49Å; T64-L68 PolarHBondContact O-N 3.39Å; T64-Y179 HydrophobicContact CG2-CE2 3.54Å; T64-Y179 WeakPolarHBondContact CG2-OH 3.3Å
65	I	87.7	Confident	82	Confident	93 Å²	93	77.9 Å²	77.9	48%	0.477	44%	0.443	S	S	.	.	H	α-helix	trans	-61.1	-48.4	174.1	-68.8	-175.1	0	0	0	110.8	L61 I62 F67 L68 V69	L61-I65 HydrophobicContact CD2-CD1 3.3Å; L61-I65 HydrophobicContact CD2-CG1 4Å; L61-I65 HydrophobicContact CG-CD1 4.25Å; L61-I65 WeakPolarHBondContact O-CB 3.43Å; L61-I65 WeakPolarHBondContact O-CG1 3.26Å; L61-I65 PolarHBondContact O-N 2.76Å; I62-I65 PolarHBondContact O-N 2.56Å; I65-F67 VanDerWaalsContact C-N 3.3Å; I65-F67 PolarHBondContact O-N 2.98Å; I65-L68 PolarHBondContact O-N 3.38Å; I65-V69 HydrophobicContact CG2-CG2 4.34Å; I65-V69 VanDerWaalsContact O-CG2 3.31Å; I65-V69 WeakPolarHBondContact O-CG2 3.36Å; I65-V69 PolarHBondContact O-N 2.83Å
66	A	89.2	Confident	83.6	Confident	50 Å²	50	79.7 Å²	79.7	41%	0.413	44%	0.443	S	S	.	.	H	α-helix	trans	-58.1	-43.2	-179.9	0	0	0	0	0	111.6	I62 I63 V69 V70	I62-A66 VanDerWaalsContact O-CB 3.23Å; I62-A66 WeakPolarHBondContact O-CB 3.45Å; I62-A66 PolarHBondContact O-N 3.17Å; I63-A66 PolarHBondContact O-N 2.82Å; A66-V69 PolarHBondContact O-N 2.73Å; A66-V70 WeakPolarHBondContact O-CG2 3.29Å; A66-V70 PolarHBondContact O-N 3.4Å
67	F	87.1	Confident	84.9	Confident	54 Å²	54	80.2 Å²	80.2	24%	0.237	44%	0.44	C	S	.	.	H	α-helix	trans	-67.1	-43.8	176.6	-177.9	-93.8	0	0	0	112.9	I63 T64 I65 V69 V70 V71 W171	I63-F67 WeakPolarHBondContact O-CB 3.09Å; I63-F67 PolarHBondContact O-N 2.86Å; T64-F67 PolarHBondContact O-N 3.44Å; I65-F67 VanDerWaalsContact C-N 3.3Å; I65-F67 PolarHBondContact O-N 2.98Å; F67-V69 PolarHBondContact O-N 3.39Å; F67-V70 PolarHBondContact O-N 2.9Å; F67-V70 VanDerWaalsContact O-N 3.1Å; F67-V71 HydrophobicContact CD1-CG2 3.81Å; F67-V71 HydrophobicContact CE1-CG2 3.31Å; F67-V71 HydrophobicContact CE2-CG2 4.17Å; F67-V71 HydrophobicContact CG-CG2 4.45Å; F67-V71 HydrophobicContact CZ-CG2 3.51Å; F67-V71 PolarHBondContact O-N 3.05Å; F67-W171 HydrophobicContact CB-CH2 3.29Å; F67-W171 HydrophobicContact CB-CZ2 4.18Å; F67-W171 HydrophobicContact CB-CZ3 3.6Å; F67-W171 AromaticContact CD1-CD2 3.68Å; F67-W171 HydrophobicContact CD1-CD2 3.68Å; F67-W171 AromaticContact CD1-CE2 3.55Å; F67-W171 AromaticContact CD1-CE3 3.47Å; F67-W171 HydrophobicContact CD1-CE3 3.47Å; F67-W171 VanDerWaalsContact CD1-CE3 3.47Å; F67-W171 AromaticContact CD1-CH2 3.01Å; F67-W171 HydrophobicContact CD1-CH2 3.01Å; F67-W171 AromaticContact CD1-CZ2 3.21Å; F67-W171 HydrophobicContact CD1-CZ2 3.21Å; F67-W171 AromaticContact CD1-CZ3 3.14Å; F67-W171 HydrophobicContact CD1-CZ3 3.14Å; F67-W171 AromaticContact CD2-CE3 3.6Å; F67-W171 HydrophobicContact CD2-CE3 3.6Å; F67-W171 AromaticContact CD2-CH2 3.77Å; F67-W171 HydrophobicContact CD2-CH2 3.77Å; F67-W171 AromaticContact CD2-CZ3 3.13Å; F67-W171 HydrophobicContact CD2-CZ3 3.13Å; F67-W171 AromaticContact CE1-CD2 3.15Å; F67-W171 HydrophobicContact CE1-CD2 3.15Å; F67-W171 AromaticContact CE1-CE2 3.41Å; F67-W171 VanDerWaalsContact CE1-CE2 3.41Å; F67-W171 AromaticContact CE1-CE3 3.14Å; F67-W171 HydrophobicContact CE1-CE3 3.14Å; F67-W171 AromaticContact CE1-CG 3.87Å; F67-W171 HydrophobicContact CE1-CG 3.87Å; F67-W171 AromaticContact CE1-CH2 3.65Å; F67-W171 HydrophobicContact CE1-CH2 3.65Å; F67-W171 AromaticContact CE1-CZ2 3.63Å; F67-W171 HydrophobicContact CE1-CZ2 3.63Å; F67-W171 AromaticContact CE1-CZ3 3.41Å; F67-W171 HydrophobicContact CE1-CZ3 3.41Å; F67-W171 VanDerWaalsContact CE1-CZ3 3.41Å; F67-W171 HydrophobicContact CE2-CD2 4.16Å; F67-W171 AromaticContact CE2-CE3 3.3Å; F67-W171 HydrophobicContact CE2-CE3 3.3Å; F67-W171 HydrophobicContact CE2-CH2 4.31Å; F67-W171 AromaticContact CE2-CZ3 3.41Å; F67-W171 HydrophobicContact CE2-CZ3 3.41Å; F67-W171 VanDerWaalsContact CE2-CZ3 3.41Å; F67-W171 HydrophobicContact CG-CD2 4.34Å; F67-W171 AromaticContact CG-CE3 3.66Å; F67-W171 HydrophobicContact CG-CE3 3.66Å; F67-W171 AromaticContact CG-CH2 3.06Å; F67-W171 HydrophobicContact CG-CH2 3.06Å; F67-W171 AromaticContact CG-CZ2 3.81Å; F67-W171 HydrophobicContact CG-CZ2 3.81Å; F67-W171 AromaticContact CG-CZ3 2.97Å; F67-W171 HydrophobicContact CG-CZ3 2.97Å; F67-W171 HydrophobicContact CZ-CB 4.38Å; F67-W171 AromaticContact CZ-CD2 3.44Å; F67-W171 HydrophobicContact CZ-CD2 3.44Å; F67-W171 VanDerWaalsContact CZ-CD2 3.44Å; F67-W171 AromaticContact CZ-CE3 3.05Å; F67-W171 HydrophobicContact CZ-CE3 3.05Å; F67-W171 HydrophobicContact CZ-CG 4.04Å; F67-W171 HydrophobicContact CZ-CH2 4.25Å; F67-W171 AromaticContact CZ-CZ3 3.54Å; F67-W171 HydrophobicContact CZ-CZ3 3.54Å
68	L	87.2	Confident	86	Confident	111 Å²	111	80 Å²	80	58%	0.581	44%	0.439	S	S	*	.	H	α-helix	trans	-58.4	-39.8	176	-74.7	175.5	0	0	0	111.3	T64 I65 V71 A72	T64-L68 WeakPolarHBondContact O-CB 3.45Å; T64-L68 VanDerWaalsContact O-CG 3.3Å; T64-L68 WeakPolarHBondContact O-CG 3.49Å; T64-L68 PolarHBondContact O-N 3.39Å; I65-L68 PolarHBondContact O-N 3.38Å; L68-V71 PolarHBondContact O-N 3.32Å; L68-A72 VanDerWaalsContact O-CB 3.27Å; L68-A72 WeakPolarHBondContact O-CB 3.36Å; L68-A72 PolarHBondContact O-N 3.37Å
69	V	91.5	Very high	86.8	Confident	91 Å²	91	79.9 Å²	79.9	55%	0.552	44%	0.441	S	S	*	.	H	α-helix	trans	-63.7	-44.2	174.4	170.9	0	0	0	0	111.2	I65 A66 F67 A72 F73	I65-V69 HydrophobicContact CG2-CG2 4.34Å; I65-V69 VanDerWaalsContact O-CG2 3.31Å; I65-V69 WeakPolarHBondContact O-CG2 3.36Å; I65-V69 PolarHBondContact O-N 2.83Å; A66-V69 PolarHBondContact O-N 2.73Å; F67-V69 PolarHBondContact O-N 3.39Å; V69-A72 PolarHBondContact O-N 2.92Å; V69-F73 VanDerWaalsContact O-CB 3.27Å; V69-F73 WeakPolarHBondContact O-CB 3.13Å; V69-F73 PolarHBondContact O-N 3.35Å
70	V	90.8	Very high	87.3	Confident	81 Å²	81	78.1 Å²	78.1	49%	0.491	44%	0.437	S	S	.	.	H	α-helix	trans	-62.1	-45	176.8	170.7	0	0	0	0	111.2	A66 F67 F73 L74	A66-V70 WeakPolarHBondContact O-CG2 3.29Å; A66-V70 PolarHBondContact O-N 3.4Å; F67-V70 PolarHBondContact O-N 2.9Å; F67-V70 VanDerWaalsContact O-N 3.1Å; V70-F73 WeakPolarHBondContact O-CB 3.26Å; V70-F73 PolarHBondContact O-N 2.95Å; V70-L74 HydrophobicContact CG1-CD1 4.3Å; V70-L74 HydrophobicContact CG1-CG 4.49Å; V70-L74 VanDerWaalsContact O-CG 3.32Å; V70-L74 WeakPolarHBondContact O-CG 3.34Å; V70-L74 PolarHBondContact O-N 3.33Å
71	V	87.4	Confident	87.6	Confident	51 Å²	51	80.6 Å²	80.6	31%	0.309	44%	0.441	S	S	.	.	H	α-helix	trans	-64.9	-45.2	177.5	172.5	0	0	0	0	111.3	F67 L68 F73 L74 I75	F67-V71 HydrophobicContact CD1-CG2 3.81Å; F67-V71 HydrophobicContact CE1-CG2 3.31Å; F67-V71 HydrophobicContact CE2-CG2 4.17Å; F67-V71 HydrophobicContact CG-CG2 4.45Å; F67-V71 HydrophobicContact CZ-CG2 3.51Å; F67-V71 PolarHBondContact O-N 3.05Å; L68-V71 PolarHBondContact O-N 3.32Å; V71-F73 VanDerWaalsContact C-N 3.29Å; V71-F73 PolarHBondContact O-N 2.66Å; V71-L74 PolarHBondContact O-N 2.84Å; V71-I75 HydrophobicContact CG1-CD1 3.82Å; V71-I75 HydrophobicContact CG1-CG1 4.41Å; V71-I75 VanDerWaalsContact O-CG1 3.31Å; V71-I75 WeakPolarHBondContact O-CG1 3.41Å; V71-I75 PolarHBondContact O-N 2.67Å
72	A	88.3	Confident	87.7	Confident	47 Å²	47	81.3 Å²	81.3	39%	0.388	45%	0.445	S	S	.	.	H	α-helix	trans	-59.3	-42.7	176.2	0	0	0	0	0	111.4	L68 V69 I75 L76	L68-A72 VanDerWaalsContact O-CB 3.27Å; L68-A72 WeakPolarHBondContact O-CB 3.36Å; L68-A72 PolarHBondContact O-N 3.37Å; V69-A72 PolarHBondContact O-N 2.92Å; A72-I75 PolarHBondContact O-N 2.88Å; A72-L76 VanDerWaalsContact O-CG 3.31Å; A72-L76 WeakPolarHBondContact O-CG 3.42Å; A72-L76 PolarHBondContact O-N 2.87Å
73	F	91.9	Very high	87.7	Confident	109 Å²	109	82.6 Å²	82.6	48%	0.478	44%	0.444	S	S	.	.	H	α-helix	trans	-60.8	-49.2	173.7	-177.2	-90.2	0	0	0	111.2	V69 V70 V71 I75 L76 F77	V69-F73 VanDerWaalsContact O-CB 3.27Å; V69-F73 WeakPolarHBondContact O-CB 3.13Å; V69-F73 PolarHBondContact O-N 3.35Å; V70-F73 WeakPolarHBondContact O-CB 3.26Å; V70-F73 PolarHBondContact O-N 2.95Å; V71-F73 VanDerWaalsContact C-N 3.29Å; V71-F73 PolarHBondContact O-N 2.66Å; F73-I75 VanDerWaalsContact C-N 3.28Å; F73-I75 PolarHBondContact O-N 3.36Å; F73-L76 WeakPolarHBondContact O-CB 3.44Å; F73-L76 PolarHBondContact O-N 3.42Å; F73-L76 VanDerWaalsContact O-N 3.09Å; F73-F77 AromaticContact CD1-CD2 3.58Å; F73-F77 HydrophobicContact CD1-CD2 3.58Å; F73-F77 AromaticContact CD1-CE2 3.73Å; F73-F77 HydrophobicContact CD1-CE2 3.73Å; F73-F77 HydrophobicContact CD1-CG 4.41Å; F73-F77 HydrophobicContact CD2-CD2 4.01Å; F73-F77 AromaticContact CD2-CE2 3.54Å; F73-F77 HydrophobicContact CD2-CE2 3.54Å; F73-F77 AromaticContact CE1-CD2 3.44Å; F73-F77 HydrophobicContact CE1-CD2 3.44Å; F73-F77 VanDerWaalsContact CE1-CD2 3.44Å; F73-F77 HydrophobicContact CE1-CE1 4.33Å; F73-F77 AromaticContact CE1-CE2 3.24Å; F73-F77 HydrophobicContact CE1-CE2 3.24Å; F73-F77 HydrophobicContact CE1-CG 4.13Å; F73-F77 AromaticContact CE1-CZ 3.7Å; F73-F77 HydrophobicContact CE1-CZ 3.7Å; F73-F77 AromaticContact CE2-CD2 3.92Å; F73-F77 HydrophobicContact CE2-CD2 3.92Å; F73-F77 AromaticContact CE2-CE2 3.06Å; F73-F77 HydrophobicContact CE2-CE2 3.06Å; F73-F77 AromaticContact CE2-CZ 3.66Å; F73-F77 HydrophobicContact CE2-CZ 3.66Å; F73-F77 AromaticContact CG-CD2 3.88Å; F73-F77 HydrophobicContact CG-CD2 3.88Å; F73-F77 AromaticContact CG-CE2 3.88Å; F73-F77 HydrophobicContact CG-CE2 3.88Å; F73-F77 AromaticContact CZ-CD2 3.65Å; F73-F77 HydrophobicContact CZ-CD2 3.65Å; F73-F77 HydrophobicContact CZ-CE1 4.15Å; F73-F77 AromaticContact CZ-CE2 2.9Å; F73-F77 HydrophobicContact CZ-CE2 2.9Å; F73-F77 AromaticContact CZ-CZ 3.17Å; F73-F77 HydrophobicContact CZ-CZ 3.17Å; F73-F77 VanDerWaalsContact O-CD2 3.22Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 PolarHBondContact O-N 2.9Å
74	L	86.9	Confident	87.8	Confident	108 Å²	108	86.4 Å²	86.4	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-58.8	-38.9	177.1	-69.4	179.2	0	0	0	112.6	V70 V71 F77 A78	V70-L74 HydrophobicContact CG1-CD1 4.3Å; V70-L74 HydrophobicContact CG1-CG 4.49Å; V70-L74 VanDerWaalsContact O-CG 3.32Å; V70-L74 WeakPolarHBondContact O-CG 3.34Å; V70-L74 PolarHBondContact O-N 3.33Å; V71-L74 PolarHBondContact O-N 2.84Å; L74-F77 PolarHBondContact O-N 3.34Å; L74-A78 WeakPolarHBondContact O-CB 3.2Å; L74-A78 PolarHBondContact O-N 3.2Å
75	I	88.2	Confident	87.6	Confident	100 Å²	100	85.9 Å²	85.9	51%	0.513	46%	0.456	S	S	.	.	H	α-helix	trans	-65	-43.5	174.8	-68.1	167.4	0	0	0	111.1	V71 A72 F73 A78 T79	V71-I75 HydrophobicContact CG1-CD1 3.82Å; V71-I75 HydrophobicContact CG1-CG1 4.41Å; V71-I75 VanDerWaalsContact O-CG1 3.31Å; V71-I75 WeakPolarHBondContact O-CG1 3.41Å; V71-I75 PolarHBondContact O-N 2.67Å; A72-I75 PolarHBondContact O-N 2.88Å; F73-I75 VanDerWaalsContact C-N 3.28Å; F73-I75 PolarHBondContact O-N 3.36Å; I75-A78 PolarHBondContact O-N 3.09Å; I75-T79 WeakPolarHBondContact O-CB 3.36Å; I75-T79 PolarHBondContact O-N 3.4Å; I75-T79 PolarHBondContact O-OG1 3.42Å
76	L	91.1	Very high	87.2	Confident	109 Å²	109	85.6 Å²	85.6	57%	0.571	46%	0.458	S	S	*	.	H	α-helix	trans	-62.5	-43.6	176.2	-73.1	171.6	0	0	0	111.2	A72 F73 T79 L80	A72-L76 VanDerWaalsContact O-CG 3.31Å; A72-L76 WeakPolarHBondContact O-CG 3.42Å; A72-L76 PolarHBondContact O-N 2.87Å; F73-L76 WeakPolarHBondContact O-CB 3.44Å; F73-L76 PolarHBondContact O-N 3.42Å; F73-L76 VanDerWaalsContact O-N 3.09Å; L76-T79 PolarHBondContact O-N 3.29Å; L76-L80 WeakPolarHBondContact O-CB 3.46Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 2.9Å
77	F	89.1	Confident	86.6	Confident	111 Å²	111	87.1 Å²	87.1	49%	0.487	46%	0.457	S	S	.	.	H	α-helix	trans	-64.7	-41.9	177.1	-87.3	-101.4	0	0	0	112.3	F73 L74 Y81	F73-F77 AromaticContact CD1-CD2 3.58Å; F73-F77 HydrophobicContact CD1-CD2 3.58Å; F73-F77 AromaticContact CD1-CE2 3.73Å; F73-F77 HydrophobicContact CD1-CE2 3.73Å; F73-F77 HydrophobicContact CD1-CG 4.41Å; F73-F77 HydrophobicContact CD2-CD2 4.01Å; F73-F77 AromaticContact CD2-CE2 3.54Å; F73-F77 HydrophobicContact CD2-CE2 3.54Å; F73-F77 AromaticContact CE1-CD2 3.44Å; F73-F77 HydrophobicContact CE1-CD2 3.44Å; F73-F77 VanDerWaalsContact CE1-CD2 3.44Å; F73-F77 HydrophobicContact CE1-CE1 4.33Å; F73-F77 AromaticContact CE1-CE2 3.24Å; F73-F77 HydrophobicContact CE1-CE2 3.24Å; F73-F77 HydrophobicContact CE1-CG 4.13Å; F73-F77 AromaticContact CE1-CZ 3.7Å; F73-F77 HydrophobicContact CE1-CZ 3.7Å; F73-F77 AromaticContact CE2-CD2 3.92Å; F73-F77 HydrophobicContact CE2-CD2 3.92Å; F73-F77 AromaticContact CE2-CE2 3.06Å; F73-F77 HydrophobicContact CE2-CE2 3.06Å; F73-F77 AromaticContact CE2-CZ 3.66Å; F73-F77 HydrophobicContact CE2-CZ 3.66Å; F73-F77 AromaticContact CG-CD2 3.88Å; F73-F77 HydrophobicContact CG-CD2 3.88Å; F73-F77 AromaticContact CG-CE2 3.88Å; F73-F77 HydrophobicContact CG-CE2 3.88Å; F73-F77 AromaticContact CZ-CD2 3.65Å; F73-F77 HydrophobicContact CZ-CD2 3.65Å; F73-F77 HydrophobicContact CZ-CE1 4.15Å; F73-F77 AromaticContact CZ-CE2 2.9Å; F73-F77 HydrophobicContact CZ-CE2 2.9Å; F73-F77 AromaticContact CZ-CZ 3.17Å; F73-F77 HydrophobicContact CZ-CZ 3.17Å; F73-F77 VanDerWaalsContact O-CD2 3.22Å; F73-F77 WeakPolarHBondContact O-CD2 3.47Å; F73-F77 PolarHBondContact O-N 2.9Å; L74-F77 PolarHBondContact O-N 3.34Å; F77-Y81 VanDerWaalsContact O-CB 3.27Å; F77-Y81 WeakPolarHBondContact O-CB 2.98Å; F77-Y81 PolarHBondContact O-N 2.78Å
78	A	84.7	Confident	85.9	Confident	60 Å²	60	87.2 Å²	87.2	50%	0.496	47%	0.467	S	S	.	.	H	α-helix	trans	-62.3	-44.7	174.7	0	0	0	0	0	111.6	L74 I75 Y81 D82	L74-A78 WeakPolarHBondContact O-CB 3.2Å; L74-A78 PolarHBondContact O-N 3.2Å; I75-A78 PolarHBondContact O-N 3.09Å; A78-Y81 PolarHBondContact O-N 3.06Å; A78-D82 PolarHBondContact O-N 2.9Å
79	T	89.1	Confident	84.9	Confident	85 Å²	85	88.7 Å²	88.7	52%	0.521	47%	0.472	S	S	.	.	H	α-helix	trans	-64.9	-46.8	178.4	-55.2	0	0	0	0	112	I75 L76 Y81 D82 Y83	I75-T79 WeakPolarHBondContact O-CB 3.36Å; I75-T79 PolarHBondContact O-N 3.4Å; I75-T79 PolarHBondContact O-OG1 3.42Å; L76-T79 PolarHBondContact O-N 3.29Å; T79-Y81 VanDerWaalsContact C-N 3.26Å; T79-Y81 PolarHBondContact O-N 2.78Å; T79-D82 PolarHBondContact O-N 3.34Å; T79-Y83 WeakPolarHBondContact O-CB 3.12Å; T79-Y83 PolarHBondContact O-N 3Å
80	L	88.8	Confident	83.5	Confident	88 Å²	88	89.3 Å²	89.3	46%	0.461	48%	0.48	S	S	.	.	H	α-helix	trans	-60.3	-40.2	176.9	-75.8	172.4	0	0	0	111	L76 Y83 F84	L76-L80 WeakPolarHBondContact O-CB 3.46Å; L76-L80 VanDerWaalsContact O-CG 3.27Å; L76-L80 WeakPolarHBondContact O-CG 3.33Å; L76-L80 PolarHBondContact O-N 2.9Å; L80-Y83 WeakPolarHBondContact O-CB 3.35Å; L80-Y83 PolarHBondContact O-N 2.91Å; L80-F84 HydrophobicContact CB-CE2 4.36Å; L80-F84 WeakPolarHBondContact O-CD2 3.27Å; L80-F84 WeakPolarHBondContact O-CG 3.27Å; L80-F84 PolarHBondContact O-N 3.31Å
81	Y	84.5	Confident	82.1	Confident	70 Å²	70	94 Å²	94	28%	0.275	49%	0.493	S	S	.	.	H	α-helix	trans	-65.2	-48	176.8	-176.3	-95.8	0	0	0	113	F77 A78 T79 Y83 F84 V85 Y142 R146	F77-Y81 VanDerWaalsContact O-CB 3.27Å; F77-Y81 WeakPolarHBondContact O-CB 2.98Å; F77-Y81 PolarHBondContact O-N 2.78Å; A78-Y81 PolarHBondContact O-N 3.06Å; T79-Y81 VanDerWaalsContact C-N 3.26Å; T79-Y81 PolarHBondContact O-N 2.78Å; Y81-Y83 VanDerWaalsContact C-N 3.26Å; Y81-Y83 PolarHBondContact O-N 3.38Å; Y81-F84 PolarHBondContact O-N 2.84Å; Y81-F84 VanDerWaalsContact O-N 3.15Å; Y81-V85 HydrophobicContact CD1-CG2 3.88Å; Y81-V85 HydrophobicContact CE1-CG2 3.38Å; Y81-V85 HydrophobicContact CE2-CG2 4.17Å; Y81-V85 HydrophobicContact CG-CG2 4.48Å; Y81-V85 WeakPolarHBondContact O-CB 3.42Å; Y81-V85 WeakPolarHBondContact O-CG2 3.35Å; Y81-V85 PolarHBondContact O-N 2.87Å; Y81-Y142 WeakPolarHBondContact CD1-OH 3.44Å; Y81-Y142 HydrophobicContact CD2-CE1 4.31Å; Y81-Y142 WeakPolarHBondContact CD2-OH 2.98Å; Y81-Y142 HydrophobicContact CE1-CE1 4.04Å; Y81-Y142 AromaticContact CE1-CZ 3.86Å; Y81-Y142 WeakPolarHBondContact CE1-OH 3.49Å; Y81-Y142 AromaticContact CE2-CE1 3.72Å; Y81-Y142 HydrophobicContact CE2-CE1 3.72Å; Y81-Y142 AromaticContact CE2-CZ 3.97Å; Y81-Y142 VanDerWaalsContact CE2-OH 3.28Å; Y81-Y142 WeakPolarHBondContact CE2-OH 3.39Å; Y81-Y142 AromaticContact CZ-CE1 3.54Å; Y81-Y142 AromaticContact CZ-CZ 3.8Å; Y81-Y142 VanDerWaalsContact CZ-OH 3.28Å; Y81-R146 VanDerWaalsContact CE1-CD 3.42Å; Y81-R146 HydrophobicContact CE1-CG 4.31Å; Y81-R146 WeakPolarHBondContact OH-CD 3.13Å; Y81-R146 PolarHBondContact OH-NE 3.41Å; Y81-R146 PolarHBondContact OH-NH1 3.36Å
82	D	83.8	Confident	80.1	Confident	99 Å²	99	97.2 Å²	97.2	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-57.6	-43.5	175.6	-170.1	59.2	0	0	0	110.6	A78 T79 F84 V85 V86	A78-D82 PolarHBondContact O-N 2.9Å; T79-D82 PolarHBondContact O-N 3.34Å; D82-F84 PolarHBondContact O-N 3.45Å; D82-V85 PolarHBondContact O-N 3.1Å; D82-V85 VanDerWaalsContact O-N 3.17Å; D82-V86 WeakPolarHBondContact O-CB 3.3Å; D82-V86 VanDerWaalsContact O-CG2 3.3Å; D82-V86 WeakPolarHBondContact O-CG2 3.34Å; D82-V86 PolarHBondContact O-N 2.93Å
83	Y	85.9	Confident	78.4	Confident	132 Å²	132	100.3 Å²	100.3	52%	0.518	53%	0.525	S	S	.	.	H	α-helix	trans	-57.6	-44.7	173.7	176.3	-108.9	0	0	0	113	T79 L80 Y81 Q87	T79-Y83 WeakPolarHBondContact O-CB 3.12Å; T79-Y83 PolarHBondContact O-N 3Å; L80-Y83 WeakPolarHBondContact O-CB 3.35Å; L80-Y83 PolarHBondContact O-N 2.91Å; Y81-Y83 VanDerWaalsContact C-N 3.26Å; Y81-Y83 PolarHBondContact O-N 3.38Å; Y83-Q87 HydrophobicContact CE2-CG 4.36Å; Y83-Q87 VanDerWaalsContact CZ-CD 3.46Å; Y83-Q87 WeakPolarHBondContact O-CB 2.94Å; Y83-Q87 VanDerWaalsContact O-CG 3.26Å; Y83-Q87 WeakPolarHBondContact O-CG 3.22Å; Y83-Q87 PolarHBondContact O-N 3.41Å; Y83-Q87 PolarHBondContact O-NE2 3.41Å; Y83-Q87 PolarHBondContact OH-OE1 3.01Å
84	F	86.2	Confident	76.7	Confident	132 Å²	132	101.1 Å²	101.1	58%	0.579	54%	0.541	S	S	*	.	H	α-helix	trans	-68.4	-35.9	176.3	-71.6	-55.4	0	0	0	112.7	L80 Y81 D82 A88	L80-F84 HydrophobicContact CB-CE2 4.36Å; L80-F84 WeakPolarHBondContact O-CD2 3.27Å; L80-F84 WeakPolarHBondContact O-CG 3.27Å; L80-F84 PolarHBondContact O-N 3.31Å; Y81-F84 PolarHBondContact O-N 2.84Å; Y81-F84 VanDerWaalsContact O-N 3.15Å; D82-F84 PolarHBondContact O-N 3.45Å; F84-A88 WeakPolarHBondContact O-CB 2.99Å; F84-A88 PolarHBondContact O-N 3.5Å
85	V	80.6	Confident	74.5	Confident	23 Å²	23	105.2 Å²	105.2	14%	0.139	56%	0.555	C	S	.	*	H	α-helix	trans	-70.9	-48.7	179.1	164.4	0	0	0	0	111.8	Y81 D82 Q87 A88 E89	Y81-V85 HydrophobicContact CD1-CG2 3.88Å; Y81-V85 HydrophobicContact CE1-CG2 3.38Å; Y81-V85 HydrophobicContact CE2-CG2 4.17Å; Y81-V85 HydrophobicContact CG-CG2 4.48Å; Y81-V85 WeakPolarHBondContact O-CB 3.42Å; Y81-V85 WeakPolarHBondContact O-CG2 3.35Å; Y81-V85 PolarHBondContact O-N 2.87Å; D82-V85 PolarHBondContact O-N 3.1Å; D82-V85 VanDerWaalsContact O-N 3.17Å; V85-Q87 PolarHBondContact O-N 3.34Å; V85-A88 WeakPolarHBondContact O-CA 3.27Å; V85-A88 WeakPolarHBondContact O-CB 3.41Å; V85-A88 PolarHBondContact O-N 3.33Å; V85-E89 PolarHBondContact O-N 3.14Å
86	V	79	Confident	72.6	Confident	86 Å²	86	104.4 Å²	104.4	52%	0.521	56%	0.563	S	S	.	*	H	α-helix	trans	-59.5	-38.9	178.9	170.8	0	0	0	0	110.3	D82 E89 S90	D82-V86 WeakPolarHBondContact O-CB 3.3Å; D82-V86 VanDerWaalsContact O-CG2 3.3Å; D82-V86 WeakPolarHBondContact O-CG2 3.34Å; D82-V86 PolarHBondContact O-N 2.93Å; V86-E89 PolarHBondContact O-N 3.31Å; V86-S90 PolarHBondContact O-N 3.4Å
87	Q	77.2	Confident	70.5	Confident	83 Å²	83	104.8 Å²	104.8	39%	0.388	57%	0.57	S	S	.	*	H	α-helix	trans	-68.4	-33.5	172.6	-72.3	178.3	100.7	0	0	113.5	Y83 V85 S90 K91	Y83-Q87 HydrophobicContact CE2-CG 4.36Å; Y83-Q87 VanDerWaalsContact CZ-CD 3.46Å; Y83-Q87 WeakPolarHBondContact O-CB 2.94Å; Y83-Q87 VanDerWaalsContact O-CG 3.26Å; Y83-Q87 WeakPolarHBondContact O-CG 3.22Å; Y83-Q87 PolarHBondContact O-N 3.41Å; Y83-Q87 PolarHBondContact O-NE2 3.41Å; Y83-Q87 PolarHBondContact OH-OE1 3.01Å; V85-Q87 PolarHBondContact O-N 3.34Å; Q87-S90 PolarHBondContact O-N 2.88Å; Q87-K91 PolarHBondContact O-N 3.07Å
88	A	72.6	Confident	68.1	Low	55 Å²	55	106.5 Å²	106.5	46%	0.455	58%	0.584	S	S	.	*	H	α-helix	trans	-68	-38.1	175.6	0	0	0	0	0	111.9	F84 V85 K91 N92	F84-A88 WeakPolarHBondContact O-CB 2.99Å; F84-A88 PolarHBondContact O-N 3.5Å; V85-A88 WeakPolarHBondContact O-CA 3.27Å; V85-A88 WeakPolarHBondContact O-CB 3.41Å; V85-A88 PolarHBondContact O-N 3.33Å; A88-K91 PolarHBondContact O-N 3.31Å; A88-N92 PolarHBondContact O-N 3.1Å
89	E	65.1	Low	66	Low	143 Å²	143	109.1 Å²	109.1	67%	0.668	59%	0.593	S	S	*	*	H	α-helix	trans	-67.4	-37	172.1	-64	-138.8	123.8	0	0	111.5	V85 V86 K91 N92	V85-E89 PolarHBondContact O-N 3.14Å; V86-E89 PolarHBondContact O-N 3.31Å; E89-K91 PolarHBondContact O-N 2.95Å; E89-K91 VanDerWaalsContact O-N 3.11Å; E89-N92 CarbonylContact O-C 3.29Å; E89-N92 VanDerWaalsContact O-C 3.26Å; E89-N92 PolarHBondContact O-N 3.25Å
90	S	63.1	Low	63.5	Low	103 Å²	103	112 Å²	112	72%	0.72	61%	0.606	S	S	*	*	H	α-helix	trans	-60	-23	173.1	-176.9	0	0	0	0	113.6	V86 Q87	V86-S90 PolarHBondContact O-N 3.4Å; Q87-S90 PolarHBondContact O-N 2.88Å
91	K	60.5	Low	61.2	Low	179 Å²	179	112.2 Å²	112.2	78%	0.778	62%	0.615	S	S	*	*	H	α-helix	trans	-90.9	-16.1	175.6	-79.3	-172.7	177.9	-176.7	0	114.2	Q87 A88 E89	Q87-K91 PolarHBondContact O-N 3.07Å; A88-K91 PolarHBondContact O-N 3.31Å; E89-K91 PolarHBondContact O-N 2.95Å; E89-K91 VanDerWaalsContact O-N 3.11Å
92	N	45.9	Very low	59.1	Low	120 Å²	120	115.2 Å²	115.2	64%	0.642	64%	0.635	S	S	*	*	S	Bend	trans	-127.9	93.3	177.1	-74.3	-83	0	0	0	108.6	A88 E89	A88-N92 PolarHBondContact O-N 3.1Å; E89-N92 CarbonylContact O-C 3.29Å; E89-N92 VanDerWaalsContact O-C 3.26Å; E89-N92 PolarHBondContact O-N 3.25Å
93	P	51.9	Low	56.8	Low	112 Å²	112	116.5 Å²	116.5	73%	0.727	65%	0.647	S	S	*	*			trans	-53.8	137.8	171	23.5	-32.8	0	0	0	109.1	K95	P93-K95 PolarHBondContact O-N 3.39Å; P93-K95 VanDerWaalsContact O-N 3.08Å
94	P	55.6	Low	54.3	Low	125 Å²	125	115.4 Å²	115.4	81%	0.812	65%	0.654	S	S	*	*			trans	-58	119.1	-174.4	20.4	-30.1	0	0	0	109.6	A96	P94-A96 PolarHBondContact O-N 3.21Å
95	K	41.9	Very low	51.5	Low	195 Å²	195	113.2 Å²	113.2	85%	0.848	66%	0.655	S	S	*	*			trans	-63.6	109.4	165.5	-135.3	177.5	-171.8	178	0	105.3	P93 T97	P93-K95 PolarHBondContact O-N 3.39Å; P93-K95 VanDerWaalsContact O-N 3.08Å; K95-T97 VanDerWaalsContact C-N 3.25Å; K95-T97 PolarHBondContact O-N 3.08Å
96	A	48.3	Very low	49.2	Very low	83 Å²	83	119.6 Å²	119.6	69%	0.686	69%	0.688	S	S	*	*			trans	-56.2	98	165.5	0	0	0	0	0	106.9	P94 D98	P94-A96 PolarHBondContact O-N 3.21Å; A96-D98 VanDerWaalsContact C-N 3.34Å; A96-D98 PolarHBondContact O-N 3.08Å
97	T	47	Very low	47.1	Very low	116 Å²	116	122.1 Å²	122.1	71%	0.712	70%	0.703	S	S	*	*			trans	-81.9	96.4	158.1	37.5	0	0	0	0	104.9	K95 V99	K95-T97 VanDerWaalsContact C-N 3.25Å; K95-T97 PolarHBondContact O-N 3.08Å; T97-V99 VanDerWaalsContact C-N 3.33Å; T97-V99 PolarHBondContact O-N 3.41Å
98	D	37.7	Very low	44.8	Very low	148 Å²	148	121.3 Å²	121.3	79%	0.791	72%	0.716	S	S	*	*			trans	-50.8	101.4	161.7	-60.9	-50.6	0	0	0	107.3	A96 D100	A96-D98 VanDerWaalsContact C-N 3.34Å; A96-D98 PolarHBondContact O-N 3.08Å; D98-D100 PolarHBondContact O-N 2.92Å
99	V	41.7	Very low	42.7	Very low	114 Å²	114	126.4 Å²	126.4	69%	0.691	74%	0.736	S	S	*	*			trans	-95.9	73.8	163.3	-176	0	0	0	0	104.7	T97 S101	T97-V99 VanDerWaalsContact C-N 3.33Å; T97-V99 PolarHBondContact O-N 3.41Å; V99-S101 VanDerWaalsContact C-N 3.27Å; V99-S101 PolarHBondContact O-N 2.86Å
100	D	35.8	Very low	41.1	Very low	146 Å²	146	124.7 Å²	124.7	78%	0.781	74%	0.74	S	S	*	*			trans	-69.5	97.9	161.8	-149.9	-1	0	0	0	106	D98 D102	D98-D100 PolarHBondContact O-N 2.92Å; D100-D102 PolarHBondContact O-N 2.98Å; D100-D102 VanDerWaalsContact O-N 3.09Å
101	S	40.3	Very low	39.5	Very low	93 Å²	93	124.3 Å²	124.3	65%	0.65	74%	0.737	S	S	*	*			trans	-79.4	70.2	168.3	-64.8	0	0	0	0	107.5	V99 V103	V99-S101 VanDerWaalsContact C-N 3.27Å; V99-S101 PolarHBondContact O-N 2.86Å; S101-V103 VanDerWaalsContact C-N 3.31Å; S101-V103 PolarHBondContact O-N 3.44Å
102	D	40	Very low	38	Very low	132 Å²	132	122.3 Å²	122.3	71%	0.706	74%	0.74	S	S	*	*			trans	-84.3	88.7	162.1	-151.3	-7.9	0	0	0	108.4	D100 T104	D100-D102 PolarHBondContact O-N 2.98Å; D100-D102 VanDerWaalsContact O-N 3.09Å; D102-T104 PolarHBondContact O-N 3.45Å
103	V	36.3	Very low	37	Very low	127 Å²	127	123 Å²	123	77%	0.77	75%	0.753	S	S	*	*			trans	-68.2	99.4	159.5	175.6	0	0	0	0	105.7	S101	S101-V103 VanDerWaalsContact C-N 3.31Å; S101-V103 PolarHBondContact O-N 3.44Å
104	T	32.6	Very low	35.9	Very low	109 Å²	109	120.6 Å²	120.6	67%	0.669	75%	0.749	S	S	*	*			trans	-163.8	104.8	146.9	-76.3	0	0	0	0	111	D102	D102-T104 PolarHBondContact O-N 3.45Å
105	S	28.4	Very low	34.5	Very low	86 Å²	86	125.3 Å²	125.3	60%	0.601	75%	0.75	S	S	*	*			trans	40.5	117.5	137.7	83.6	0	0	0	0	118.6
106	L	32	Very low	34.2	Very low	157 Å²	157	121.7 Å²	121.7	82%	0.822	75%	0.745	S	S	*	*				165.9	142.9	102.7	-86	153.1	0	0	0	109.2
107	V	35.8	Very low	33.4	Very low	139 Å²	139	125 Å²	125	84%	0.842	75%	0.751	S	S	*	*			trans	79.4	88.6	163	-158.2	0	0	0	0	116.7
108	G	29.2	Very low	32.8	Very low	65 Å²	65	128.4 Å²	128.4	67%	0.67	76%	0.756	S	S	*	*				84.5	89.7	102.6	0	0	0	0	0	117.3
109	N	28.1	Very low	32.9	Very low	162 Å²	162	126.9 Å²	126.9	87%	0.866	75%	0.754	S	S	*	*				-167.1	131.7	105.4	43.4	18.7	0	0	0	111.1
110	S	30.9	Very low	32.2	Very low	107 Å²	107	130.9 Å²	130.9	75%	0.748	76%	0.762	S	S	*	*			trans	-61.9	153.2	176	175.4	0	0	0	0	111.6
111	S	30.4	Very low	32	Very low	96 Å²	96	131.1 Å²	131.1	67%	0.671	76%	0.763	S	S	*	*			trans	83.5	93.4	157.5	-47.5	0	0	0	0	117.6
112	T	28.2	Very low	32.2	Very low	136 Å²	136	131.5 Å²	131.5	83%	0.834	76%	0.764	S	S	*	*				164.8	142.7	107.3	40.7	0	0	0	0	109.3	G114	T112-G114 PolarHBondContact O-N 3.46Å
113	C	25.7	Very low	32.2	Very low	136 Å²	136	136.7 Å²	136.7	92%	0.919	77%	0.773	S	S	*	*			trans	-50.1	98.3	171.6	-173.5	0	0	0	0	109.6	R115	C113-R115 PolarHBondContact O-N 3.27Å
114	G	28	Very low	32.4	Very low	61 Å²	61	141.2 Å²	141.2	63%	0.629	78%	0.777	S	S	*	*			trans	-75.3	91.5	-168.8	0	0	0	0	0	111.4	T112 T116	T112-G114 PolarHBondContact O-N 3.46Å; G114-T116 PolarHBondContact O-N 2.8Å
115	R	26.5	Very low	32.9	Very low	223 Å²	223	144.3 Å²	144.3	84%	0.842	79%	0.789	S	S	*	*			trans	-18.5	90.3	142.9	-170.2	175.3	179.9	174.5	-2.4	111.8	C113 N117	C113-R115 PolarHBondContact O-N 3.27Å; R115-N117 PolarHBondContact O-N 3.37Å
116	T	34.8	Very low	33.6	Very low	120 Å²	120	147.4 Å²	147.4	74%	0.736	79%	0.794	S	S	*	*			trans	-68.3	126.6	166.1	52.7	0	0	0	0	107	G114 F118	G114-T116 PolarHBondContact O-N 2.8Å; T116-F118 VanDerWaalsContact C-N 3.32Å; T116-F118 PolarHBondContact O-N 3.45Å
117	N	31.2	Very low	34.5	Very low	152 Å²	152	146.7 Å²	146.7	81%	0.813	79%	0.791	S	S	*	*			trans	-58.9	91	-178.4	-70	-80.3	0	0	0	109.6	R115 P119	R115-N117 PolarHBondContact O-N 3.37Å; N117-P119 WeakPolarHBondContact O-CD 3.32Å
118	F	34.4	Very low	35.2	Very low	187 Å²	187	147.1 Å²	147.1	82%	0.82	79%	0.788	S	S	*	*			trans	-68.7	113.8	158.8	-113.5	-89.7	0	0	0	106.4	T116 K120	T116-F118 VanDerWaalsContact C-N 3.32Å; T116-F118 PolarHBondContact O-N 3.45Å; F118-K120 PolarHBondContact O-N 2.92Å
119	P	39.7	Very low	36.4	Very low	116 Å²	116	146.6 Å²	146.6	75%	0.753	77%	0.774	S	S	*	*			trans	-61.4	108.5	170.4	24.3	-30.5	0	0	0	108.1	N117 N121	N117-P119 WeakPolarHBondContact O-CD 3.32Å; P119-N121 PolarHBondContact O-N 2.94Å
120	K	28.7	Very low	37.6	Very low	198 Å²	198	144 Å²	144	86%	0.861	77%	0.768	S	S	*	*			trans	-63.8	97	161.5	-76.7	179.9	175.4	179.3	0	107.2	F118	F118-K120 PolarHBondContact O-N 2.92Å
121	N	31.5	Very low	39.2	Very low	151 Å²	151	144.2 Å²	144.2	81%	0.807	77%	0.765	S	S	*	*			trans	-99.4	116.1	155.8	-170.5	17.6	0	0	0	108.8	P119	P119-N121 PolarHBondContact O-N 2.94Å
122	P	43.9	Very low	41	Very low	102 Å²	102	145.3 Å²	145.3	66%	0.662	76%	0.757	S	S	*	*			trans	-101.6	114.5	-175.9	34.6	-25.2	0	0	0	111.7
123	R	39.9	Very low	42.9	Very low	240 Å²	240	143.6 Å²	143.6	91%	0.906	74%	0.743	S	S	*	*			trans	-170.7	91	148.3	-74.9	-149.8	-170.9	-173.3	2.5	107.6
124	R	40.9	Very low	45	Very low	222 Å²	222	144.6 Å²	144.6	84%	0.838	73%	0.731	S	S	*	*				34.2	84.4	93.4	-65.7	-169.4	-176.4	-179.5	0.4	113.5
125	N	43.5	Very low	47	Very low	174 Å²	174	145.3 Å²	145.3	93%	0.93	72%	0.724	S	S	*	*				-116.9	95	123.9	-95.4	-1.7	0	0	0	106.4
126	E	42	Very low	48.8	Very low	152 Å²	152	138.6 Å²	138.6	71%	0.71	70%	0.704	S	S	*	*			trans	-64.4	148.9	169.6	-167.9	-177.6	133.6	0	0	109.1
127	L	51.9	Low	50.3	Low	142 Å²	142	137 Å²	137	74%	0.743	69%	0.694	S	S	*	*	S	Bend	trans	89.3	113.3	160.3	-130.3	62.9	0	0	0	117.2
128	N	50	Low	51.9	Low	147 Å²	147	132.2 Å²	132.2	79%	0.786	68%	0.675	S	S	*	*	S	Bend	trans	92.3	45.9	170.7	-49.3	-17.2	0	0	0	117.5
129	S	54.9	Low	53.4	Low	55 Å²	55	129.3 Å²	129.3	39%	0.385	66%	0.663	S	S	.	*			trans	-159.1	41.7	156.9	-95.8	0	0	0	0	113.7	T131 F132 L133	S129-T131 PolarHBondContact O-N 3.01Å; S129-T131 VanDerWaalsContact O-N 3.16Å; S129-F132 PolarHBondContact O-N 3.33Å; S129-F132 WeakPolarHBondContact OG-CB 3.49Å; S129-L133 WeakPolarHBondContact O-CA 3.22Å; S129-L133 WeakPolarHBondContact O-CB 3.32Å; S129-L133 PolarHBondContact O-N 3.37Å
130	C	52.4	Low	54.8	Low	107 Å²	107	126.7 Å²	126.7	72%	0.723	65%	0.647	S	S	*	*	H	α-helix	trans	-59.9	-27.3	174.3	-68.9	0	0	0	0	112.6	K134	C130-K134 VanDerWaalsContact O-CD 3.29Å; C130-K134 WeakPolarHBondContact O-CD 3.31Å; C130-K134 WeakPolarHBondContact O-CG 3.27Å
131	T	64.7	Low	56.1	Low	112 Å²	112	122 Å²	122	69%	0.687	63%	0.63	S	S	*	*	H	α-helix	trans	-86.3	-50.3	175.5	-43.4	0	0	0	0	111.7	S129 L133 K134 V135	S129-T131 PolarHBondContact O-N 3.01Å; S129-T131 VanDerWaalsContact O-N 3.16Å; T131-L133 VanDerWaalsContact C-N 3.3Å; T131-L133 PolarHBondContact O-N 2.98Å; T131-K134 WeakPolarHBondContact O-CB 3.27Å; T131-K134 PolarHBondContact O-N 3.48Å; T131-K134 VanDerWaalsContact O-N 3.11Å; T131-V135 WeakPolarHBondContact O-CG2 3.49Å; T131-V135 PolarHBondContact O-N 3.22Å
132	F	68.4	Low	57.9	Low	118 Å²	118	118.5 Å²	118.5	52%	0.518	61%	0.606	S	S	.	*	H	α-helix	trans	-66	-33.6	-179.8	-177.7	-111.1	0	0	0	112	S129 V135 L136	S129-F132 PolarHBondContact O-N 3.33Å; S129-F132 WeakPolarHBondContact OG-CB 3.49Å; F132-V135 CarbonylContact O-C 3.56Å; F132-V135 WeakPolarHBondContact O-CA 3.37Å; F132-V135 WeakPolarHBondContact O-CB 3.38Å; F132-V135 PolarHBondContact O-N 3.01Å; F132-V135 VanDerWaalsContact O-N 3.13Å; F132-L136 HydrophobicContact CD1-CD1 3.62Å; F132-L136 HydrophobicContact CD1-CG 3.91Å; F132-L136 HydrophobicContact CE1-CD1 3.37Å; F132-L136 HydrophobicContact CE1-CD2 3.95Å; F132-L136 HydrophobicContact CE1-CG 3.63Å; F132-L136 HydrophobicContact CE2-CD2 4.5Å; F132-L136 HydrophobicContact CE2-CG 4.46Å; F132-L136 HydrophobicContact CG-CG 4.45Å; F132-L136 HydrophobicContact CZ-CD1 4.14Å; F132-L136 HydrophobicContact CZ-CD2 3.83Å; F132-L136 HydrophobicContact CZ-CG 3.92Å; F132-L136 WeakPolarHBondContact O-CB 3.31Å; F132-L136 WeakPolarHBondContact O-CG 3.45Å; F132-L136 PolarHBondContact O-N 3.12Å
133	L	67	Low	58.9	Low	101 Å²	101	117.4 Å²	117.4	53%	0.529	60%	0.598	S	S	.	*	H	α-helix	trans	-68.6	-35.2	173.6	-165.1	147.7	0	0	0	111.3	S129 T131 V135 L136 V137	S129-L133 WeakPolarHBondContact O-CA 3.22Å; S129-L133 WeakPolarHBondContact O-CB 3.32Å; S129-L133 PolarHBondContact O-N 3.37Å; T131-L133 VanDerWaalsContact C-N 3.3Å; T131-L133 PolarHBondContact O-N 2.98Å; L133-V135 VanDerWaalsContact C-N 3.31Å; L133-L136 CarbonylContact O-C 3.26Å; L133-L136 PolarHBondContact O-N 3.46Å; L133-V137 HydrophobicContact CD2-CG2 3.82Å; L133-V137 WeakPolarHBondContact O-CB 3.47Å; L133-V137 WeakPolarHBondContact O-CG2 3.23Å; L133-V137 PolarHBondContact O-N 3.32Å
134	K	71	Confident	60	Low	156 Å²	156	109.6 Å²	109.6	68%	0.678	57%	0.574	S	S	*	*	H	α-helix	trans	-63.6	-38.2	168.5	-75.4	172.8	-175.7	173	0	111.5	C130 T131 V137 A138	C130-K134 VanDerWaalsContact O-CD 3.29Å; C130-K134 WeakPolarHBondContact O-CD 3.31Å; C130-K134 WeakPolarHBondContact O-CG 3.27Å; T131-K134 WeakPolarHBondContact O-CB 3.27Å; T131-K134 PolarHBondContact O-N 3.48Å; T131-K134 VanDerWaalsContact O-N 3.11Å; K134-V137 PolarHBondContact O-N 2.95Å; K134-A138 WeakPolarHBondContact O-CB 3.23Å; K134-A138 PolarHBondContact O-N 3.46Å
135	V	68.7	Low	61.1	Low	77 Å²	77	102.1 Å²	102.1	47%	0.467	55%	0.554	S	S	.	*	H	α-helix	trans	-67	-38.2	172.6	175.9	0	0	0	0	111.4	T131 F132 L133 A138 F139	T131-V135 WeakPolarHBondContact O-CG2 3.49Å; T131-V135 PolarHBondContact O-N 3.22Å; F132-V135 CarbonylContact O-C 3.56Å; F132-V135 WeakPolarHBondContact O-CA 3.37Å; F132-V135 WeakPolarHBondContact O-CB 3.38Å; F132-V135 PolarHBondContact O-N 3.01Å; F132-V135 VanDerWaalsContact O-N 3.13Å; L133-V135 VanDerWaalsContact C-N 3.31Å; V135-A138 CarbonylContact O-C 3.41Å; V135-A138 VanDerWaalsContact O-C 3.29Å; V135-A138 WeakPolarHBondContact O-CA 3.31Å; V135-A138 WeakPolarHBondContact O-CB 3.3Å; V135-A138 PolarHBondContact O-N 3.06Å; V135-F139 WeakPolarHBondContact O-CB 3.4Å; V135-F139 PolarHBondContact O-N 3.33Å
136	L	65	Low	61.8	Low	81 Å²	81	98.4 Å²	98.4	42%	0.424	53%	0.527	S	S	.	.	H	α-helix	trans	-70.7	-34.3	175.1	-74.9	176.6	0	0	0	112.1	F132 L133 A138 F139 S140	F132-L136 HydrophobicContact CD1-CD1 3.62Å; F132-L136 HydrophobicContact CD1-CG 3.91Å; F132-L136 HydrophobicContact CE1-CD1 3.37Å; F132-L136 HydrophobicContact CE1-CD2 3.95Å; F132-L136 HydrophobicContact CE1-CG 3.63Å; F132-L136 HydrophobicContact CE2-CD2 4.5Å; F132-L136 HydrophobicContact CE2-CG 4.46Å; F132-L136 HydrophobicContact CG-CG 4.45Å; F132-L136 HydrophobicContact CZ-CD1 4.14Å; F132-L136 HydrophobicContact CZ-CD2 3.83Å; F132-L136 HydrophobicContact CZ-CG 3.92Å; F132-L136 WeakPolarHBondContact O-CB 3.31Å; F132-L136 WeakPolarHBondContact O-CG 3.45Å; F132-L136 PolarHBondContact O-N 3.12Å; L133-L136 CarbonylContact O-C 3.26Å; L133-L136 PolarHBondContact O-N 3.46Å; L136-A138 VanDerWaalsContact C-N 3.34Å; L136-F139 CarbonylContact O-C 3.43Å; L136-F139 VanDerWaalsContact O-C 3.28Å; L136-F139 VanDerWaalsContact O-CA 3.24Å; L136-F139 WeakPolarHBondContact O-CA 3.42Å; L136-F139 WeakPolarHBondContact O-CB 3.49Å; L136-F139 PolarHBondContact O-N 3.45Å; L136-S140 PolarHBondContact O-N 2.94Å
137	V	65.7	Low	62.8	Low	87 Å²	87	99 Å²	99	53%	0.527	53%	0.527	S	S	.	.	H	α-helix	trans	-70.9	-34.8	170	170.6	0	0	0	0	109.6	L133 K134 F139 S140 L141	L133-V137 HydrophobicContact CD2-CG2 3.82Å; L133-V137 WeakPolarHBondContact O-CB 3.47Å; L133-V137 WeakPolarHBondContact O-CG2 3.23Å; L133-V137 PolarHBondContact O-N 3.32Å; K134-V137 PolarHBondContact O-N 2.95Å; V137-F139 PolarHBondContact O-N 3.32Å; V137-S140 CarbonylContact O-C 3.26Å; V137-S140 WeakPolarHBondContact O-CA 3.09Å; V137-S140 WeakPolarHBondContact O-CB 3.3Å; V137-S140 PolarHBondContact O-N 3.39Å; V137-L141 PolarHBondContact O-N 3.41Å
138	A	65.1	Low	63.5	Low	51 Å²	51	97.1 Å²	97.1	42%	0.421	52%	0.521	S	S	.	.	H	α-helix	trans	-67.9	-20.4	164.7	0	0	0	0	0	112	K134 V135 L136 L141 Y142	K134-A138 WeakPolarHBondContact O-CB 3.23Å; K134-A138 PolarHBondContact O-N 3.46Å; V135-A138 CarbonylContact O-C 3.41Å; V135-A138 VanDerWaalsContact O-C 3.29Å; V135-A138 WeakPolarHBondContact O-CA 3.31Å; V135-A138 WeakPolarHBondContact O-CB 3.3Å; V135-A138 PolarHBondContact O-N 3.06Å; L136-A138 VanDerWaalsContact C-N 3.34Å; A138-L141 CarbonylContact O-C 3.33Å; A138-L141 VanDerWaalsContact O-C 3.26Å; A138-L141 VanDerWaalsContact O-CA 3.26Å; A138-L141 WeakPolarHBondContact O-CA 3.48Å; A138-L141 WeakPolarHBondContact O-CB 3.34Å; A138-L141 PolarHBondContact O-N 3.23Å; A138-Y142 PolarHBondContact O-N 2.83Å
139	F	66.9	Low	63.8	Low	127 Å²	127	96.3 Å²	96.3	56%	0.557	51%	0.514	S	S	*	.	H	α-helix	trans	-79.4	-25.8	167.6	-137.4	-88.4	0	0	0	111.3	V135 L136 V137 L141 Y142 T143	V135-F139 WeakPolarHBondContact O-CB 3.4Å; V135-F139 PolarHBondContact O-N 3.33Å; L136-F139 CarbonylContact O-C 3.43Å; L136-F139 VanDerWaalsContact O-C 3.28Å; L136-F139 VanDerWaalsContact O-CA 3.24Å; L136-F139 WeakPolarHBondContact O-CA 3.42Å; L136-F139 WeakPolarHBondContact O-CB 3.49Å; L136-F139 PolarHBondContact O-N 3.45Å; V137-F139 PolarHBondContact O-N 3.32Å; F139-L141 VanDerWaalsContact C-N 3.32Å; F139-Y142 HydrophobicContact CD1-CD1 4.42Å; F139-Y142 HydrophobicContact CE1-CD1 4.29Å; F139-Y142 WeakPolarHBondContact O-CA 3.29Å; F139-Y142 WeakPolarHBondContact O-CB 3.35Å; F139-Y142 PolarHBondContact O-N 3.47Å; F139-Y142 VanDerWaalsContact O-N 3.1Å; F139-T143 PolarHBondContact O-N 2.9Å
140	S	68.3	Low	64	Low	60 Å²	60	97.8 Å²	97.8	42%	0.42	52%	0.524	S	S	.	.	H	α-helix	trans	-68.5	-36.4	159.4	179.2	0	0	0	0	110.1	L136 V137 Y142 T143 N144	L136-S140 PolarHBondContact O-N 2.94Å; V137-S140 CarbonylContact O-C 3.26Å; V137-S140 WeakPolarHBondContact O-CA 3.09Å; V137-S140 WeakPolarHBondContact O-CB 3.3Å; V137-S140 PolarHBondContact O-N 3.39Å; S140-Y142 PolarHBondContact O-N 2.89Å; S140-T143 CarbonylContact O-C 3.28Å; S140-T143 WeakPolarHBondContact O-CA 3.47Å; S140-T143 WeakPolarHBondContact O-CB 3.4Å; S140-T143 PolarHBondContact O-N 3.23Å; S140-N144 PolarHBondContact O-N 3.04Å; S140-N144 PolarHBondContact O-ND2 3.03Å; S140-N144 VanDerWaalsContact O-ND2 3.09Å
141	L	55.7	Low	64.4	Low	99 Å²	99	95.8 Å²	95.8	52%	0.518	51%	0.509	S	S	.	.	H	α-helix	trans	-58.7	-31.9	164.6	-168	85.2	0	0	0	110.2	V137 A138 F139 T143 N144 T145	V137-L141 PolarHBondContact O-N 3.41Å; A138-L141 CarbonylContact O-C 3.33Å; A138-L141 VanDerWaalsContact O-C 3.26Å; A138-L141 VanDerWaalsContact O-CA 3.26Å; A138-L141 WeakPolarHBondContact O-CA 3.48Å; A138-L141 WeakPolarHBondContact O-CB 3.34Å; A138-L141 PolarHBondContact O-N 3.23Å; F139-L141 VanDerWaalsContact C-N 3.32Å; L141-T143 VanDerWaalsContact C-N 3.33Å; L141-T143 PolarHBondContact O-N 3.21Å; L141-N144 HydrophobicContact CD1-CB 4.11Å; L141-N144 CarbonylContact O-C 3.55Å; L141-N144 WeakPolarHBondContact O-CA 3.28Å; L141-N144 WeakPolarHBondContact O-CB 3.31Å; L141-N144 PolarHBondContact O-N 2.98Å; L141-T145 WeakPolarHBondContact O-CA 3.48Å; L141-T145 WeakPolarHBondContact O-CB 3.22Å; L141-T145 PolarHBondContact O-N 2.84Å; L141-T145 PolarHBondContact O-OG1 3.5Å
142	Y	69.8	Low	63.9	Low	78 Å²	78	97.2 Å²	97.2	31%	0.306	52%	0.517	S	S	.	.	H	α-helix	trans	-60.3	-39.2	170.4	169.3	-91.8	0	0	0	112.6	Y81 A138 F139 S140 N144 T145 R146	Y81-Y142 WeakPolarHBondContact CD1-OH 3.44Å; Y81-Y142 HydrophobicContact CD2-CE1 4.31Å; Y81-Y142 WeakPolarHBondContact CD2-OH 2.98Å; Y81-Y142 HydrophobicContact CE1-CE1 4.04Å; Y81-Y142 AromaticContact CE1-CZ 3.86Å; Y81-Y142 WeakPolarHBondContact CE1-OH 3.49Å; Y81-Y142 AromaticContact CE2-CE1 3.72Å; Y81-Y142 HydrophobicContact CE2-CE1 3.72Å; Y81-Y142 AromaticContact CE2-CZ 3.97Å; Y81-Y142 VanDerWaalsContact CE2-OH 3.28Å; Y81-Y142 WeakPolarHBondContact CE2-OH 3.39Å; Y81-Y142 AromaticContact CZ-CE1 3.54Å; Y81-Y142 AromaticContact CZ-CZ 3.8Å; Y81-Y142 VanDerWaalsContact CZ-OH 3.28Å; A138-Y142 PolarHBondContact O-N 2.83Å; F139-Y142 HydrophobicContact CD1-CD1 4.42Å; F139-Y142 HydrophobicContact CE1-CD1 4.29Å; F139-Y142 WeakPolarHBondContact O-CA 3.29Å; F139-Y142 WeakPolarHBondContact O-CB 3.35Å; F139-Y142 PolarHBondContact O-N 3.47Å; F139-Y142 VanDerWaalsContact O-N 3.1Å; S140-Y142 PolarHBondContact O-N 2.89Å; Y142-N144 VanDerWaalsContact C-N 3.35Å; Y142-T145 PolarHBondContact O-N 3.1Å; Y142-R146 WeakPolarHBondContact O-CG 3.32Å; Y142-R146 PolarHBondContact O-N 3.48Å
143	T	65	Low	63.3	Low	79 Å²	79	96.1 Å²	96.1	49%	0.485	52%	0.516	S	S	.	.	H	α-helix	trans	-64.8	-37.6	167.3	-48.8	0	0	0	0	112.1	F139 S140 L141 R146 K147	F139-T143 PolarHBondContact O-N 2.9Å; S140-T143 CarbonylContact O-C 3.28Å; S140-T143 WeakPolarHBondContact O-CA 3.47Å; S140-T143 WeakPolarHBondContact O-CB 3.4Å; S140-T143 PolarHBondContact O-N 3.23Å; L141-T143 VanDerWaalsContact C-N 3.33Å; L141-T143 PolarHBondContact O-N 3.21Å; T143-R146 WeakPolarHBondContact O-CB 3.21Å; T143-R146 PolarHBondContact O-N 3.41Å; T143-K147 PolarHBondContact O-N 3.35Å
144	N	62.6	Low	62.8	Low	77 Å²	77	96.7 Å²	96.7	41%	0.412	53%	0.526	S	S	.	.	H	α-helix	trans	-71.1	-33.4	176.1	-60	-48.3	0	0	0	112.4	S140 L141 Y142 R146 K147 V148	S140-N144 PolarHBondContact O-N 3.04Å; S140-N144 PolarHBondContact O-ND2 3.03Å; S140-N144 VanDerWaalsContact O-ND2 3.09Å; L141-N144 HydrophobicContact CD1-CB 4.11Å; L141-N144 CarbonylContact O-C 3.55Å; L141-N144 WeakPolarHBondContact O-CA 3.28Å; L141-N144 WeakPolarHBondContact O-CB 3.31Å; L141-N144 PolarHBondContact O-N 2.98Å; Y142-N144 VanDerWaalsContact C-N 3.35Å; N144-R146 VanDerWaalsContact C-N 3.34Å; N144-K147 CarbonylContact O-C 3.54Å; N144-K147 WeakPolarHBondContact O-CB 3.45Å; N144-K147 PolarHBondContact O-N 3.14Å; N144-K147 VanDerWaalsContact O-N 3.17Å; N144-V148 WeakPolarHBondContact O-CB 3.32Å; N144-V148 WeakPolarHBondContact O-CG2 3.41Å; N144-V148 PolarHBondContact O-N 3.09Å
145	T	63.7	Low	61.9	Low	65 Å²	65	99.8 Å²	99.8	40%	0.399	54%	0.54	S	S	.	.	H	α-helix	trans	-70.4	-37.4	174.3	-59.5	0	0	0	0	107.7	L141 Y142 K147 V148 M149	L141-T145 WeakPolarHBondContact O-CA 3.48Å; L141-T145 WeakPolarHBondContact O-CB 3.22Å; L141-T145 PolarHBondContact O-N 2.84Å; L141-T145 PolarHBondContact O-OG1 3.5Å; Y142-T145 PolarHBondContact O-N 3.1Å; T145-K147 VanDerWaalsContact C-N 3.35Å; T145-V148 CarbonylContact O-C 3.57Å; T145-V148 PolarHBondContact O-N 3.22Å; T145-M149 WeakPolarHBondContact O-CA 3.36Å; T145-M149 WeakPolarHBondContact O-CB 3.37Å; T145-M149 PolarHBondContact O-N 2.71Å
146	R	58	Low	61.7	Low	96 Å²	96	99.9 Å²	99.9	36%	0.362	56%	0.556	S	S	.	*	H	α-helix	trans	-59.1	-44.9	166.4	-77.5	-177	73.7	-155	-4.8	111.7	Y81 Y142 T143 N144 V148 M149 S150	Y81-R146 VanDerWaalsContact CE1-CD 3.42Å; Y81-R146 HydrophobicContact CE1-CG 4.31Å; Y81-R146 WeakPolarHBondContact OH-CD 3.13Å; Y81-R146 PolarHBondContact OH-NE 3.41Å; Y81-R146 PolarHBondContact OH-NH1 3.36Å; Y142-R146 WeakPolarHBondContact O-CG 3.32Å; Y142-R146 PolarHBondContact O-N 3.48Å; T143-R146 WeakPolarHBondContact O-CB 3.21Å; T143-R146 PolarHBondContact O-N 3.41Å; N144-R146 VanDerWaalsContact C-N 3.34Å; R146-V148 VanDerWaalsContact C-N 3.34Å; R146-M149 PolarHBondContact O-N 3.27Å; R146-S150 WeakPolarHBondContact O-CA 3.39Å; R146-S150 WeakPolarHBondContact O-CB 3.24Å; R146-S150 PolarHBondContact O-N 2.72Å
147	K	63.3	Low	61.1	Low	164 Å²	164	103.4 Å²	103.4	71%	0.713	57%	0.57	S	S	*	*	H	α-helix	trans	-65.5	-37.8	177	-170.3	172.8	-177.9	176.3	0	112.3	T143 N144 T145 T151	T143-K147 PolarHBondContact O-N 3.35Å; N144-K147 CarbonylContact O-C 3.54Å; N144-K147 WeakPolarHBondContact O-CB 3.45Å; N144-K147 PolarHBondContact O-N 3.14Å; N144-K147 VanDerWaalsContact O-N 3.17Å; T145-K147 VanDerWaalsContact C-N 3.35Å; K147-T151 WeakPolarHBondContact O-CG2 3.39Å; K147-T151 PolarHBondContact O-N 2.88Å
148	V	66.3	Low	61.2	Low	102 Å²	102	105 Å²	105	62%	0.618	58%	0.575	S	S	*	*	H	α-helix	trans	-74.6	-31.2	177	169.5	0	0	0	0	112.1	N144 T145 R146 T151	N144-V148 WeakPolarHBondContact O-CB 3.32Å; N144-V148 WeakPolarHBondContact O-CG2 3.41Å; N144-V148 PolarHBondContact O-N 3.09Å; T145-V148 CarbonylContact O-C 3.57Å; T145-V148 PolarHBondContact O-N 3.22Å; R146-V148 VanDerWaalsContact C-N 3.34Å; V148-T151 VanDerWaalsContact O-CG2 3.27Å; V148-T151 WeakPolarHBondContact O-CG2 3.26Å; V148-T151 PolarHBondContact O-OG1 3.35Å; V148-T151 VanDerWaalsContact O-OG1 3.05Å
149	M	56.7	Low	61.4	Low	131 Å²	131	106.5 Å²	106.5	65%	0.645	58%	0.579	S	S	*	*	H	α-helix	trans	-86.2	-32.1	179.2	-170.1	176.8	-137.8	0	0	111.5	T145 R146 T151 C160	T145-M149 WeakPolarHBondContact O-CA 3.36Å; T145-M149 WeakPolarHBondContact O-CB 3.37Å; T145-M149 PolarHBondContact O-N 2.71Å; R146-M149 PolarHBondContact O-N 3.27Å; M149-T151 PolarHBondContact O-N 2.78Å; M149-C160 HydrophobicContact CE-CB 3.63Å
150	S	60.2	Low	61.5	Low	86 Å²	86	103.4 Å²	103.4	60%	0.601	57%	0.572	S	S	*	*	S	Bend	trans	-85.4	17.3	170.3	-170.7	0	0	0	0	111.9	R146 T152	R146-S150 WeakPolarHBondContact O-CA 3.39Å; R146-S150 WeakPolarHBondContact O-CB 3.24Å; R146-S150 PolarHBondContact O-N 2.72Å; S150-T152 VanDerWaalsContact C-N 3.31Å; S150-T152 PolarHBondContact O-N 2.93Å
151	T	60.8	Low	61.9	Low	65 Å²	65	106.7 Å²	106.7	40%	0.399	58%	0.579	S	S	.	*			trans	-62.1	105.2	165.2	56.4	0	0	0	0	106.2	K147 V148 M149 L153	K147-T151 WeakPolarHBondContact O-CG2 3.39Å; K147-T151 PolarHBondContact O-N 2.88Å; V148-T151 VanDerWaalsContact O-CG2 3.27Å; V148-T151 WeakPolarHBondContact O-CG2 3.26Å; V148-T151 PolarHBondContact O-OG1 3.35Å; V148-T151 VanDerWaalsContact O-OG1 3.05Å; M149-T151 PolarHBondContact O-N 2.78Å; T151-L153 PolarHBondContact O-N 3.16Å; T151-L153 WeakPolarHBondContact OG1-CD1 3.36Å
152	T	53.3	Low	63	Low	141 Å²	141	106.3 Å²	106.3	87%	0.865	58%	0.578	S	S	*	*			trans	-60.3	69.6	165.4	-46.5	0	0	0	0	107.9	S150	S150-T152 VanDerWaalsContact C-N 3.31Å; S150-T152 PolarHBondContact O-N 2.93Å
153	L	56	Low	63.4	Low	95 Å²	95	104.7 Å²	104.7	50%	0.497	59%	0.585	S	S	.	*			trans	-80.8	143.8	168.3	-64.8	174.2	0	0	0	106.4	T151 K155	T151-L153 PolarHBondContact O-N 3.16Å; T151-L153 WeakPolarHBondContact OG1-CD1 3.36Å; L153-K155 PolarHBondContact O-N 3.04Å
154	P	56.1	Low	64.2	Low	113 Å²	113	105.5 Å²	105.5	73%	0.734	59%	0.585	S	S	*	*			trans	-48.7	136.2	-170.7	14.5	-28.7	0	0	0	111.6	G156	P154-G156 PolarHBondContact O-N 2.68Å
155	K	52.5	Low	65.2	Low	222 Å²	222	108.6 Å²	108.6	97%	0.965	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44	95.4	-179	-62.7	174.6	-177.8	173.3	0	110.1	L153	L153-K155 PolarHBondContact O-N 3.04Å
156	G	63.7	Low	66.2	Low	78 Å²	78	110.5 Å²	110.5	80%	0.804	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	162.6	-30.2	-179.1	0	0	0	0	0	116.1	P154	P154-G156 PolarHBondContact O-N 2.68Å
157	Q	54.4	Low	67.3	Low	155 Å²	155	111.1 Å²	111.1	72%	0.724	61%	0.612	S	S	*	*			trans	-124.2	91.1	-179.4	-125.2	179	14.3	0	0	111.5	T159	Q157-T159 PolarHBondContact O-N 3.41Å; Q157-T159 VanDerWaalsContact O-N 3.08Å
158	I	67.4	Low	68.3	Low	121 Å²	121	105.7 Å²	105.7	62%	0.621	60%	0.595	S	S	*	*			trans	-77.9	91.4	176.4	-53.8	176.5	0	0	0	107.8	C160 F161	I158-C160 HydrophobicContact CG2-CB 4.46Å; I158-C160 WeakPolarHBondContact CG2-SG 3.22Å; I158-C160 PolarHBondContact O-N 2.85Å; I158-F161 VanDerWaalsContact O-CB 3.3Å; I158-F161 WeakPolarHBondContact O-CB 3.17Å; I158-F161 PolarHBondContact O-N 3.25Å
159	T	68.1	Low	69.2	Low	83 Å²	83	105.8 Å²	105.8	51%	0.509	59%	0.59	S	S	.	*	T	Hydrogen-bonded Turn	trans	-54.9	-28.1	-178.4	-51.4	0	0	0	0	113.1	Q157 F161 N162	Q157-T159 PolarHBondContact O-N 3.41Å; Q157-T159 VanDerWaalsContact O-N 3.08Å; T159-F161 PolarHBondContact O-N 2.7Å; T159-N162 WeakPolarHBondContact O-CB 3.27Å; T159-N162 PolarHBondContact O-N 3.3Å; T159-N162 VanDerWaalsContact O-N 3.08Å
160	C	70.3	Confident	70.5	Confident	62 Å²	62	106.9 Å²	106.9	42%	0.419	59%	0.587	S	S	.	*	H	α-helix	trans	-64.2	-22.6	177.1	77.7	0	0	0	0	113.1	M149 I158 N162 G163 I164	M149-C160 HydrophobicContact CE-CB 3.63Å; I158-C160 HydrophobicContact CG2-CB 4.46Å; I158-C160 WeakPolarHBondContact CG2-SG 3.22Å; I158-C160 PolarHBondContact O-N 2.85Å; C160-N162 VanDerWaalsContact C-N 3.27Å; C160-N162 PolarHBondContact O-N 3.24Å; C160-G163 PolarHBondContact O-N 3.06Å; C160-G163 VanDerWaalsContact O-N 3.1Å; C160-I164 PolarHBondContact O-N 2.98Å
161	F	75.9	Confident	71.6	Confident	129 Å²	129	105.9 Å²	105.9	57%	0.566	57%	0.57	S	S	*	*	H	α-helix	trans	-66.7	-29.4	174.8	-156.6	-87	0	0	0	112.4	I158 T159 I164 R165	I158-F161 VanDerWaalsContact O-CB 3.3Å; I158-F161 WeakPolarHBondContact O-CB 3.17Å; I158-F161 PolarHBondContact O-N 3.25Å; T159-F161 PolarHBondContact O-N 2.7Å; F161-I164 HydrophobicContact CD2-CG2 4.37Å; F161-I164 HydrophobicContact CG-CG2 4.36Å; F161-I164 VanDerWaalsContact O-CG2 3.23Å; F161-I164 WeakPolarHBondContact O-CG2 3.44Å; F161-R165 PolarHBondContact O-N 3.26Å
162	N	79.2	Confident	72.7	Confident	91 Å²	91	107.1 Å²	107.1	49%	0.487	57%	0.573	S	S	.	*	H	α-helix	trans	-70.9	-38.1	172.2	-65.4	-43.8	0	0	0	110.8	T159 C160 R165 V166	T159-N162 WeakPolarHBondContact O-CB 3.27Å; T159-N162 PolarHBondContact O-N 3.3Å; T159-N162 VanDerWaalsContact O-N 3.08Å; C160-N162 VanDerWaalsContact C-N 3.27Å; C160-N162 PolarHBondContact O-N 3.24Å; N162-R165 PolarHBondContact O-N 3.49Å; N162-V166 PolarHBondContact O-N 3.09Å
163	G	78.4	Confident	74	Confident	44 Å²	44	105.3 Å²	105.3	45%	0.454	56%	0.557	S	S	.	*	H	α-helix	trans	-64	-47.1	176.5	0	0	0	0	0	113.1	C160 R165 V166 L167	C160-G163 PolarHBondContact O-N 3.06Å; C160-G163 VanDerWaalsContact O-N 3.1Å; G163-R165 PolarHBondContact O-N 3.17Å; G163-V166 PolarHBondContact O-N 3.01Å; G163-V166 VanDerWaalsContact O-N 3.14Å; G163-L167 PolarHBondContact O-N 2.98Å
164	I	81.9	Confident	75.1	Confident	96 Å²	96	103.9 Å²	103.9	49%	0.492	55%	0.547	S	S	.	.	H	α-helix	trans	-62.6	-33.1	178.3	-166.7	69.7	0	0	0	111.7	C160 F161 L167 S168	C160-I164 PolarHBondContact O-N 2.98Å; F161-I164 HydrophobicContact CD2-CG2 4.37Å; F161-I164 HydrophobicContact CG-CG2 4.36Å; F161-I164 VanDerWaalsContact O-CG2 3.23Å; F161-I164 WeakPolarHBondContact O-CG2 3.44Å; I164-L167 HydrophobicContact CD1-CD2 4.35Å; I164-L167 PolarHBondContact O-N 3.43Å; I164-S168 WeakPolarHBondContact O-CB 3.44Å; I164-S168 PolarHBondContact O-N 3.09Å; I164-S168 PolarHBondContact O-OG 2.98Å
165	R	83	Confident	76.1	Confident	142 Å²	142	99.6 Å²	99.6	54%	0.536	52%	0.523	S	S	.	.	H	α-helix	trans	-64.2	-43.3	174.6	-175.2	-176	-73.7	177.1	-4.1	111.5	F161 N162 G163 L167 S168 M169	F161-R165 PolarHBondContact O-N 3.26Å; N162-R165 PolarHBondContact O-N 3.49Å; G163-R165 PolarHBondContact O-N 3.17Å; R165-L167 VanDerWaalsContact C-N 3.31Å; R165-L167 PolarHBondContact O-N 2.98Å; R165-S168 PolarHBondContact O-N 3.21Å; R165-S168 PolarHBondContact O-OG 3.45Å; R165-M169 HydrophobicContact CG-CE 4.22Å; R165-M169 VanDerWaalsContact O-CG 3.28Å; R165-M169 WeakPolarHBondContact O-CG 3.37Å; R165-M169 PolarHBondContact O-N 2.93Å
166	V	83.8	Confident	77.3	Confident	105 Å²	105	95.1 Å²	95.1	64%	0.636	51%	0.505	S	S	*	.	H	α-helix	trans	-64.6	-40.6	175.9	177.5	0	0	0	0	110.6	N162 G163 S168 M169 W170	N162-V166 PolarHBondContact O-N 3.09Å; G163-V166 PolarHBondContact O-N 3.01Å; G163-V166 VanDerWaalsContact O-N 3.14Å; V166-S168 VanDerWaalsContact C-N 3.35Å; V166-S168 PolarHBondContact O-N 3.18Å; V166-M169 PolarHBondContact O-N 3.29Å; V166-W170 WeakPolarHBondContact O-CB 3.4Å; V166-W170 PolarHBondContact O-N 3.33Å
167	L	82.1	Confident	77.8	Confident	109 Å²	109	94.8 Å²	94.8	57%	0.571	49%	0.488	S	S	*	.	H	α-helix	trans	-63.4	-39.5	177.6	-152.7	92.6	0	0	0	112.2	G163 I164 R165 W170 W171	G163-L167 PolarHBondContact O-N 2.98Å; I164-L167 HydrophobicContact CD1-CD2 4.35Å; I164-L167 PolarHBondContact O-N 3.43Å; R165-L167 VanDerWaalsContact C-N 3.31Å; R165-L167 PolarHBondContact O-N 2.98Å; L167-W170 PolarHBondContact O-N 3.42Å; L167-W171 PolarHBondContact O-N 3.33Å
168	S	83.8	Confident	78.5	Confident	50 Å²	50	93.1 Å²	93.1	35%	0.35	48%	0.476	S	S	.	.	H	α-helix	trans	-69.1	-42	177.7	68	0	0	0	0	112	I164 R165 V166 W170 W171 I172	I164-S168 WeakPolarHBondContact O-CB 3.44Å; I164-S168 PolarHBondContact O-N 3.09Å; I164-S168 PolarHBondContact O-OG 2.98Å; R165-S168 PolarHBondContact O-N 3.21Å; R165-S168 PolarHBondContact O-OG 3.45Å; V166-S168 VanDerWaalsContact C-N 3.35Å; V166-S168 PolarHBondContact O-N 3.18Å; S168-W170 VanDerWaalsContact C-N 3.31Å; S168-W170 PolarHBondContact O-N 3.01Å; S168-W171 PolarHBondContact O-N 3.38Å; S168-I172 VanDerWaalsContact O-CG1 3.31Å; S168-I172 WeakPolarHBondContact O-CG1 3.45Å; S168-I172 PolarHBondContact O-N 3.06Å
169	M	85.3	Confident	78.6	Confident	104 Å²	104	93.8 Å²	93.8	51%	0.512	47%	0.471	S	S	.	.	H	α-helix	trans	-62.2	-40.3	173.3	-61.5	-54.8	147.6	0	0	111.4	R165 V166 W171 I172 I173	R165-M169 HydrophobicContact CG-CE 4.22Å; R165-M169 VanDerWaalsContact O-CG 3.28Å; R165-M169 WeakPolarHBondContact O-CG 3.37Å; R165-M169 PolarHBondContact O-N 2.93Å; V166-M169 PolarHBondContact O-N 3.29Å; M169-W171 PolarHBondContact O-N 3.1Å; M169-I172 PolarHBondContact O-N 2.99Å; M169-I173 WeakPolarHBondContact O-CD1 3.47Å; M169-I173 WeakPolarHBondContact O-CG1 3.47Å; M169-I173 PolarHBondContact O-N 3.39Å
170	W	85.2	Confident	78.3	Confident	153 Å²	153	100.4 Å²	100.4	58%	0.58	49%	0.487	S	S	*	.	H	α-helix	trans	-60.2	-44.1	176.7	-173.7	76.5	0	0	0	112.3	V166 L167 S168 I173 F174	V166-W170 WeakPolarHBondContact O-CB 3.4Å; V166-W170 PolarHBondContact O-N 3.33Å; L167-W170 PolarHBondContact O-N 3.42Å; S168-W170 VanDerWaalsContact C-N 3.31Å; S168-W170 PolarHBondContact O-N 3.01Å; W170-I173 PolarHBondContact O-N 2.82Å; W170-F174 WeakPolarHBondContact O-CB 3.4Å; W170-F174 PolarHBondContact O-N 3.42Å
171	W	83.2	Confident	77.8	Confident	66 Å²	66	102.5 Å²	102.5	25%	0.25	50%	0.498	C	S	.	.	H	α-helix	trans	-64.4	-42.5	175.9	174.1	-112.2	0	0	0	113.1	F67 L167 S168 M169 F174 G175	F67-W171 HydrophobicContact CB-CH2 3.29Å; F67-W171 HydrophobicContact CB-CZ2 4.18Å; F67-W171 HydrophobicContact CB-CZ3 3.6Å; F67-W171 AromaticContact CD1-CD2 3.68Å; F67-W171 HydrophobicContact CD1-CD2 3.68Å; F67-W171 AromaticContact CD1-CE2 3.55Å; F67-W171 AromaticContact CD1-CE3 3.47Å; F67-W171 HydrophobicContact CD1-CE3 3.47Å; F67-W171 VanDerWaalsContact CD1-CE3 3.47Å; F67-W171 AromaticContact CD1-CH2 3.01Å; F67-W171 HydrophobicContact CD1-CH2 3.01Å; F67-W171 AromaticContact CD1-CZ2 3.21Å; F67-W171 HydrophobicContact CD1-CZ2 3.21Å; F67-W171 AromaticContact CD1-CZ3 3.14Å; F67-W171 HydrophobicContact CD1-CZ3 3.14Å; F67-W171 AromaticContact CD2-CE3 3.6Å; F67-W171 HydrophobicContact CD2-CE3 3.6Å; F67-W171 AromaticContact CD2-CH2 3.77Å; F67-W171 HydrophobicContact CD2-CH2 3.77Å; F67-W171 AromaticContact CD2-CZ3 3.13Å; F67-W171 HydrophobicContact CD2-CZ3 3.13Å; F67-W171 AromaticContact CE1-CD2 3.15Å; F67-W171 HydrophobicContact CE1-CD2 3.15Å; F67-W171 AromaticContact CE1-CE2 3.41Å; F67-W171 VanDerWaalsContact CE1-CE2 3.41Å; F67-W171 AromaticContact CE1-CE3 3.14Å; F67-W171 HydrophobicContact CE1-CE3 3.14Å; F67-W171 AromaticContact CE1-CG 3.87Å; F67-W171 HydrophobicContact CE1-CG 3.87Å; F67-W171 AromaticContact CE1-CH2 3.65Å; F67-W171 HydrophobicContact CE1-CH2 3.65Å; F67-W171 AromaticContact CE1-CZ2 3.63Å; F67-W171 HydrophobicContact CE1-CZ2 3.63Å; F67-W171 AromaticContact CE1-CZ3 3.41Å; F67-W171 HydrophobicContact CE1-CZ3 3.41Å; F67-W171 VanDerWaalsContact CE1-CZ3 3.41Å; F67-W171 HydrophobicContact CE2-CD2 4.16Å; F67-W171 AromaticContact CE2-CE3 3.3Å; F67-W171 HydrophobicContact CE2-CE3 3.3Å; F67-W171 HydrophobicContact CE2-CH2 4.31Å; F67-W171 AromaticContact CE2-CZ3 3.41Å; F67-W171 HydrophobicContact CE2-CZ3 3.41Å; F67-W171 VanDerWaalsContact CE2-CZ3 3.41Å; F67-W171 HydrophobicContact CG-CD2 4.34Å; F67-W171 AromaticContact CG-CE3 3.66Å; F67-W171 HydrophobicContact CG-CE3 3.66Å; F67-W171 AromaticContact CG-CH2 3.06Å; F67-W171 HydrophobicContact CG-CH2 3.06Å; F67-W171 AromaticContact CG-CZ2 3.81Å; F67-W171 HydrophobicContact CG-CZ2 3.81Å; F67-W171 AromaticContact CG-CZ3 2.97Å; F67-W171 HydrophobicContact CG-CZ3 2.97Å; F67-W171 HydrophobicContact CZ-CB 4.38Å; F67-W171 AromaticContact CZ-CD2 3.44Å; F67-W171 HydrophobicContact CZ-CD2 3.44Å; F67-W171 VanDerWaalsContact CZ-CD2 3.44Å; F67-W171 AromaticContact CZ-CE3 3.05Å; F67-W171 HydrophobicContact CZ-CE3 3.05Å; F67-W171 HydrophobicContact CZ-CG 4.04Å; F67-W171 HydrophobicContact CZ-CH2 4.25Å; F67-W171 AromaticContact CZ-CZ3 3.54Å; F67-W171 HydrophobicContact CZ-CZ3 3.54Å; L167-W171 PolarHBondContact O-N 3.33Å; S168-W171 PolarHBondContact O-N 3.38Å; M169-W171 PolarHBondContact O-N 3.1Å; W171-F174 HydrophobicContact CZ3-CD1 4.28Å; W171-F174 WeakPolarHBondContact O-CB 3.34Å; W171-F174 PolarHBondContact O-N 3.32Å; W171-G175 PolarHBondContact O-N 3.41Å
172	I	82.2	Confident	76.7	Confident	90 Å²	90	104.1 Å²	104.1	46%	0.462	51%	0.511	S	S	.	.	H	α-helix	trans	-63.3	-44.7	177.4	-66.9	-65.9	0	0	0	111.1	S168 M169 F174 G175 H176	S168-I172 VanDerWaalsContact O-CG1 3.31Å; S168-I172 WeakPolarHBondContact O-CG1 3.45Å; S168-I172 PolarHBondContact O-N 3.06Å; M169-I172 PolarHBondContact O-N 2.99Å; I172-F174 VanDerWaalsContact C-N 3.32Å; I172-F174 PolarHBondContact O-N 2.93Å; I172-G175 PolarHBondContact O-N 3.35Å; I172-H176 PolarHBondContact O-CD2 2.96Å; I172-H176 PolarHBondContact O-N 3.47Å
173	I	82.4	Confident	76.5	Confident	104 Å²	104	104.8 Å²	104.8	53%	0.533	51%	0.512	S	S	.	.	H	α-helix	trans	-62.3	-42.3	176.9	-66.3	162.2	0	0	0	110.5	M169 W170 H176 T177	M169-I173 WeakPolarHBondContact O-CD1 3.47Å; M169-I173 WeakPolarHBondContact O-CG1 3.47Å; M169-I173 PolarHBondContact O-N 3.39Å; W170-I173 PolarHBondContact O-N 2.82Å; I173-H176 PolarHBondContact O-N 3.24Å; I173-T177 WeakPolarHBondContact O-CB 3.36Å; I173-T177 PolarHBondContact O-N 2.67Å; I173-T177 PolarHBondContact O-OG1 2.91Å
174	F	78.7	Confident	76.4	Confident	65 Å²	65	108 Å²	108	29%	0.285	52%	0.515	S	S	.	.	H	α-helix	trans	-58.8	-50.1	174.7	-163.2	-88.6	0	0	0	109.9	W170 W171 I172 H176 T177 Y178	W170-F174 WeakPolarHBondContact O-CB 3.4Å; W170-F174 PolarHBondContact O-N 3.42Å; W171-F174 HydrophobicContact CZ3-CD1 4.28Å; W171-F174 WeakPolarHBondContact O-CB 3.34Å; W171-F174 PolarHBondContact O-N 3.32Å; I172-F174 VanDerWaalsContact C-N 3.32Å; I172-F174 PolarHBondContact O-N 2.93Å; F174-H176 PolarHBondContact O-N 3.3Å; F174-T177 PolarHBondContact O-N 2.91Å; F174-T177 VanDerWaalsContact O-N 3.12Å; F174-Y178 AromaticContact CD1-CD2 3.5Å; F174-Y178 HydrophobicContact CD1-CD2 3.5Å; F174-Y178 AromaticContact CD1-CE2 3.77Å; F174-Y178 HydrophobicContact CD1-CE2 3.77Å; F174-Y178 HydrophobicContact CD2-CD2 4.06Å; F174-Y178 AromaticContact CD2-CE2 3.51Å; F174-Y178 HydrophobicContact CD2-CE2 3.51Å; F174-Y178 AromaticContact CE1-CD2 3.38Å; F174-Y178 HydrophobicContact CE1-CD2 3.38Å; F174-Y178 AromaticContact CE1-CE2 3.43Å; F174-Y178 HydrophobicContact CE1-CE2 3.43Å; F174-Y178 VanDerWaalsContact CE1-CE2 3.43Å; F174-Y178 HydrophobicContact CE1-CG 4.22Å; F174-Y178 AromaticContact CE2-CD2 3.98Å; F174-Y178 HydrophobicContact CE2-CD2 3.98Å; F174-Y178 AromaticContact CE2-CE2 3.17Å; F174-Y178 HydrophobicContact CE2-CE2 3.17Å; F174-Y178 AromaticContact CE2-CZ 3.81Å; F174-Y178 AromaticContact CG-CD2 3.84Å; F174-Y178 HydrophobicContact CG-CD2 3.84Å; F174-Y178 AromaticContact CG-CE2 3.8Å; F174-Y178 HydrophobicContact CG-CE2 3.8Å; F174-Y178 AromaticContact CZ-CD2 3.63Å; F174-Y178 HydrophobicContact CZ-CD2 3.63Å; F174-Y178 AromaticContact CZ-CE2 3.12Å; F174-Y178 HydrophobicContact CZ-CE2 3.12Å; F174-Y178 AromaticContact CZ-CZ 3.61Å; F174-Y178 VanDerWaalsContact O-CD2 3.22Å; F174-Y178 WeakPolarHBondContact O-CD2 3.46Å; F174-Y178 PolarHBondContact O-N 2.84Å
175	G	76.2	Confident	76.1	Confident	22 Å²	22	108.7 Å²	108.7	23%	0.227	52%	0.517	C	S	.	.	H	α-helix	trans	-49.8	-55.1	173.6	0	0	0	0	0	112.7	W171 I172 T177 Y178 Y179	W171-G175 PolarHBondContact O-N 3.41Å; I172-G175 PolarHBondContact O-N 3.35Å; G175-T177 VanDerWaalsContact C-N 3.32Å; G175-T177 PolarHBondContact O-N 2.81Å; G175-Y178 PolarHBondContact O-N 3.21Å; G175-Y179 VanDerWaalsContact O-CB 3.24Å; G175-Y179 WeakPolarHBondContact O-CB 3.03Å; G175-Y179 PolarHBondContact O-N 3.13Å
176	H	77.8	Confident	75.7	Confident	128 Å²	128	106.7 Å²	106.7	59%	0.593	52%	0.515	S	S	*	.	H	α-helix	trans	-61.3	-38.6	178.7	-75.4	-67.2	0	0	0	113.5	I172 I173 F174 Y178 W180	I172-H176 PolarHBondContact O-CD2 2.96Å; I172-H176 PolarHBondContact O-N 3.47Å; I173-H176 PolarHBondContact O-N 3.24Å; F174-H176 PolarHBondContact O-N 3.3Å; H176-Y178 VanDerWaalsContact C-N 3.33Å; H176-Y178 PolarHBondContact O-N 2.82Å; H176-W180 VanDerWaalsContact O-CB 3.26Å; H176-W180 WeakPolarHBondContact O-CB 3.45Å; H176-W180 PolarHBondContact O-N 3.4Å
177	T	74.3	Confident	75.2	Confident	71 Å²	71	106.8 Å²	106.8	44%	0.436	51%	0.508	S	S	.	.	H	α-helix	trans	-66.4	-35.8	-179.7	-52.8	0	0	0	0	111.3	I173 F174 G175 T181	I173-T177 WeakPolarHBondContact O-CB 3.36Å; I173-T177 PolarHBondContact O-N 2.67Å; I173-T177 PolarHBondContact O-OG1 2.91Å; F174-T177 PolarHBondContact O-N 2.91Å; F174-T177 VanDerWaalsContact O-N 3.12Å; G175-T177 VanDerWaalsContact C-N 3.32Å; G175-T177 PolarHBondContact O-N 2.81Å; T177-T181 WeakPolarHBondContact O-CB 2.97Å; T177-T181 WeakPolarHBondContact O-CG2 3.25Å; T177-T181 PolarHBondContact O-OG1 2.08Å
178	Y	69.5	Low	74.8	Confident	120 Å²	120	106.7 Å²	106.7	47%	0.471	50%	0.504	S	S	.	.	H	α-helix	trans	-97.6	-30.2	-178	-69.9	-85.3	0	0	0	114.2	F174 G175 H176	F174-Y178 AromaticContact CD1-CD2 3.5Å; F174-Y178 HydrophobicContact CD1-CD2 3.5Å; F174-Y178 AromaticContact CD1-CE2 3.77Å; F174-Y178 HydrophobicContact CD1-CE2 3.77Å; F174-Y178 HydrophobicContact CD2-CD2 4.06Å; F174-Y178 AromaticContact CD2-CE2 3.51Å; F174-Y178 HydrophobicContact CD2-CE2 3.51Å; F174-Y178 AromaticContact CE1-CD2 3.38Å; F174-Y178 HydrophobicContact CE1-CD2 3.38Å; F174-Y178 AromaticContact CE1-CE2 3.43Å; F174-Y178 HydrophobicContact CE1-CE2 3.43Å; F174-Y178 VanDerWaalsContact CE1-CE2 3.43Å; F174-Y178 HydrophobicContact CE1-CG 4.22Å; F174-Y178 AromaticContact CE2-CD2 3.98Å; F174-Y178 HydrophobicContact CE2-CD2 3.98Å; F174-Y178 AromaticContact CE2-CE2 3.17Å; F174-Y178 HydrophobicContact CE2-CE2 3.17Å; F174-Y178 AromaticContact CE2-CZ 3.81Å; F174-Y178 AromaticContact CG-CD2 3.84Å; F174-Y178 HydrophobicContact CG-CD2 3.84Å; F174-Y178 AromaticContact CG-CE2 3.8Å; F174-Y178 HydrophobicContact CG-CE2 3.8Å; F174-Y178 AromaticContact CZ-CD2 3.63Å; F174-Y178 HydrophobicContact CZ-CD2 3.63Å; F174-Y178 AromaticContact CZ-CE2 3.12Å; F174-Y178 HydrophobicContact CZ-CE2 3.12Å; F174-Y178 AromaticContact CZ-CZ 3.61Å; F174-Y178 VanDerWaalsContact O-CD2 3.22Å; F174-Y178 WeakPolarHBondContact O-CD2 3.46Å; F174-Y178 PolarHBondContact O-N 2.84Å; G175-Y178 PolarHBondContact O-N 3.21Å; H176-Y178 VanDerWaalsContact C-N 3.33Å; H176-Y178 PolarHBondContact O-N 2.82Å
179	Y	68.5	Low	74.1	Confident	135 Å²	135	110.7 Å²	110.7	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-79.8	-27.7	178.5	-98.2	-87.4	0	0	0	113.9	T64 G175	T64-Y179 HydrophobicContact CG2-CE2 3.54Å; T64-Y179 WeakPolarHBondContact CG2-OH 3.3Å; G175-Y179 VanDerWaalsContact O-CB 3.24Å; G175-Y179 WeakPolarHBondContact O-CB 3.03Å; G175-Y179 PolarHBondContact O-N 3.13Å
180	W	63.2	Low	73.3	Confident	223 Å²	223	111.2 Å²	111.2	85%	0.845	52%	0.515	S	S	*	.	S	Bend	trans	-97.5	-17.1	-177.7	-168.5	-87.6	0	0	0	113.2	H176 I182	H176-W180 VanDerWaalsContact O-CB 3.26Å; H176-W180 WeakPolarHBondContact O-CB 3.45Å; H176-W180 PolarHBondContact O-N 3.4Å; W180-I182 PolarHBondContact O-N 3.29Å
181	T	60.3	Low	72.3	Confident	105 Å²	105	107.8 Å²	107.8	64%	0.644	51%	0.51	S	S	*	.			trans	-80.5	1	177.4	49.9	0	0	0	0	114.5	T177	T177-T181 WeakPolarHBondContact O-CB 2.97Å; T177-T181 WeakPolarHBondContact O-CG2 3.25Å; T177-T181 PolarHBondContact O-OG1 2.08Å
182	I	51.2	Low	71.3	Confident	164 Å²	164	111.5 Å²	111.5	84%	0.841	53%	0.533	S	S	*	.			trans	-119.6	0	169.4	-81.8	159.4	0	0	0	107.3	D56 W180	D56-I182 HydrophobicContact CB-CG2 4.45Å; W180-I182 PolarHBondContact O-N 3.29Å

Retrieved 182 of 182 residues in 198.1 ms (Link to these results)

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