A0A060Y7I2_ONCMY Loading...

Jagunal homolog 1b

AlphaFold DB , UniProt , Accession A0A060Y7I2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110495490, Length 183 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	38.7	Very low	53.5	Low	249 Å²	249	128.8 Å²	128.8	100%	1.227	79%	0.785	S	S	*	*				0	97.5	0	-65.7	-177.2	-163.7	0	0	107.8
2	A	37	Very low	54.4	Low	100 Å²	100	121.7 Å²	121.7	83%	0.826	74%	0.741	S	S	*	*			trans	-76.9	131	177.5	0	0	0	0	0	109.4	R4	A2-R4 PolarHBondContact O-N 3.2Å
3	S	42.3	Very low	55.7	Low	112 Å²	112	121 Å²	121	78%	0.783	73%	0.731	S	S	*	*			trans	-57.1	113.8	-173	55.1	0	0	0	0	112.5	A5	S3-A5 PolarHBondContact O-N 2.9Å; S3-A5 VanDerWaalsContact O-N 3.1Å
4	R	53.6	Low	56.5	Low	238 Å²	238	114.5 Å²	114.5	90%	0.898	70%	0.701	S	S	*	*	S	Bend	trans	-73	16.6	173.1	-82	177.4	143.9	177	-5.6	114.5	A2	A2-R4 PolarHBondContact O-N 3.2Å
5	A	54.1	Low	57.5	Low	84 Å²	84	112.7 Å²	112.7	69%	0.694	70%	0.695	S	S	*	*			trans	-123.5	49.9	-171.5	0	0	0	0	0	111.6	S3	S3-A5 PolarHBondContact O-N 2.9Å; S3-A5 VanDerWaalsContact O-N 3.1Å
6	G	61.7	Low	58.4	Low	46 Å²	46	108.3 Å²	108.3	47%	0.474	67%	0.666	S	S	.	*			trans	-64.4	159.6	162.5	0	0	0	0	0	110.7	R8	G6-R8 PolarHBondContact O-N 3.04Å
7	P	57.8	Low	59.2	Low	143 Å²	143	108.4 Å²	108.4	93%	0.929	66%	0.655	S	S	*	*			trans	-53.9	114.9	-177.6	-20.9	30.4	0	0	0	110.7
8	R	59.2	Low	59.9	Low	160 Å²	160	109.9 Å²	109.9	60%	0.604	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-85.1	136.5	174.5	-68.9	-175.9	-173.2	-174.1	-0.1	108.6	G6 T10 D13	G6-R8 PolarHBondContact O-N 3.04Å; R8-T10 PolarHBondContact O-N 2.82Å; R8-D13 PolarHBondContact NH1-O 3.32Å
9	A	61.5	Low	60.4	Low	50 Å²	50	108.6 Å²	108.6	41%	0.413	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-57.2	130.3	170.8	0	0	0	0	0	108.9	G11 T12 R20	A9-G11 PolarHBondContact O-N 3.01Å; A9-T12 PolarHBondContact O-N 3.28Å; A9-R20 VanDerWaalsContact CB-NH1 3.35Å
10	T	55.4	Low	61	Low	153 Å²	153	108.3 Å²	108.3	94%	0.939	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.5	120.8	179.8	12.7	0	0	0	0	110.4	R8	R8-T10 PolarHBondContact O-N 2.82Å
11	G	67.8	Low	61.6	Low	82 Å²	82	109.3 Å²	109.3	85%	0.845	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	104.5	6.1	175.6	0	0	0	0	0	117	A9	A9-G11 PolarHBondContact O-N 3.01Å
12	T	63.8	Low	63.3	Low	43 Å²	43	103.6 Å²	103.6	26%	0.264	59%	0.591	S	S	.	*			trans	-125.1	143.5	173.1	75.1	0	0	0	0	115	A9 G14 D16 R20	A9-T12 PolarHBondContact O-N 3.28Å; T12-G14 PolarHBondContact O-N 3.18Å; T12-D16 PolarHBondContact OG1-OD1 3.21Å; T12-R20 PolarHBondContact OG1-NH2 3.44Å
13	D	71.6	Confident	65	Low	113 Å²	113	102.6 Å²	102.6	60%	0.604	57%	0.574	S	S	*	*			trans	-77.5	-8.2	178.5	67.3	-6	0	0	0	113.1	R8 S15	R8-D13 PolarHBondContact NH1-O 3.32Å; D13-S15 VanDerWaalsContact CG-OG 3.3Å; D13-S15 WeakPolarHBondContact OD1-CB 3.41Å; D13-S15 PolarHBondContact OD1-N 3.19Å; D13-S15 PolarHBondContact OD1-OG 2.91Å; D13-S15 PolarHBondContact OD2-OG 3.15Å
14	G	66.8	Low	66.5	Low	30 Å²	30	99.7 Å²	99.7	31%	0.309	56%	0.557	S	S	.	*	S	Bend	trans	87.7	1.5	-179.5	0	0	0	0	0	114.5	T12 D16	T12-G14 PolarHBondContact O-N 3.18Å; G14-D16 PolarHBondContact O-N 3.48Å
15	S	71.8	Confident	67.5	Low	88 Å²	88	91.3 Å²	91.3	62%	0.615	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.4	174.5	67.9	0	0	0	0	112.9	D13	D13-S15 VanDerWaalsContact CG-OG 3.3Å; D13-S15 WeakPolarHBondContact OD1-CB 3.41Å; D13-S15 PolarHBondContact OD1-N 3.19Å; D13-S15 PolarHBondContact OD1-OG 2.91Å; D13-S15 PolarHBondContact OD2-OG 3.15Å
16	D	71.8	Confident	68.5	Low	42 Å²	42	89.7 Å²	89.7	23%	0.225	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	8.2	-175.1	72.2	-35.4	0	0	0	114.7	T12 G14 Q18 H19 R20	T12-D16 PolarHBondContact OG1-OD1 3.21Å; G14-D16 PolarHBondContact O-N 3.48Å; D16-Q18 PolarHBondContact O-N 2.85Å; D16-H19 WeakPolarHBondContact O-CB 3.23Å; D16-H19 PolarHBondContact O-N 3.43Å; D16-H19 VanDerWaalsContact O-N 3.1Å; D16-R20 PolarHBondContact O-N 2.97Å; D16-R20 IonicContact OD1-CZ 2.61Å; D16-R20 IonicContact OD1-NE 3.89Å; D16-R20 IonicContact OD2-CZ 2.74Å; D16-R20 IonicContact OD2-NE 3.92Å; D16-R20 PolarHBondContact OD2-NE 3.28Å; D16-R20 IonicContact OD2-NH2 3.35Å; D16-R20 PolarHBondContact OD2-NH2 3.33Å
17	F	71.8	Confident	69.3	Low	109 Å²	109	95.4 Å²	95.4	48%	0.478	52%	0.522	S	S	.	.	H	α-helix	trans	-58.3	-45.8	-174.3	77.2	-85.4	0	0	0	113.2	H19 R20 E21	F17-H19 PolarHBondContact O-N 2.95Å; F17-R20 PolarHBondContact O-N 3.4Å; F17-E21 PolarHBondContact O-N 3.38Å
18	Q	72.3	Confident	70.5	Confident	136 Å²	136	95.4 Å²	95.4	64%	0.636	51%	0.509	S	S	*	.	H	α-helix	trans	-60.9	-36.2	178.4	-63.9	-176.4	-16.5	0	0	111.6	D16 R22	D16-Q18 PolarHBondContact O-N 2.85Å; Q18-R22 WeakPolarHBondContact O-CB 3.42Å; Q18-R22 PolarHBondContact O-N 3.02Å; Q18-R22 VanDerWaalsContact O-N 3.11Å
19	H	68.7	Low	71.9	Confident	85 Å²	85	92.9 Å²	92.9	39%	0.394	51%	0.505	S	S	.	.	H	α-helix	trans	-69.8	-44.8	178	-178.4	56.8	0	0	0	111.2	D16 F17 R22 V23 K183	D16-H19 WeakPolarHBondContact O-CB 3.23Å; D16-H19 PolarHBondContact O-N 3.43Å; D16-H19 VanDerWaalsContact O-N 3.1Å; F17-H19 PolarHBondContact O-N 2.95Å; H19-R22 PolarHBondContact O-N 2.88Å; H19-V23 WeakPolarHBondContact O-CG2 3.24Å; H19-V23 PolarHBondContact O-N 2.88Å; H19-K183 PolarHBondContact CD2-NZ 3.42Å; H19-K183 PolarHBondContact CE1-NZ 2.67Å; H19-K183 PolarHBondContact ND1-NZ 3.21Å; H19-K183 PolarHBondContact NE2-NZ 3.18Å
20	R	72.7	Confident	73.3	Confident	102 Å²	102	91 Å²	91	39%	0.385	49%	0.489	S	S	.	.	H	α-helix	trans	-61	-44	177.1	-71.1	178.5	174.5	-159.1	-1	112.4	A9 T12 D16 F17 V23 A24	A9-R20 VanDerWaalsContact CB-NH1 3.35Å; T12-R20 PolarHBondContact OG1-NH2 3.44Å; D16-R20 PolarHBondContact O-N 2.97Å; D16-R20 IonicContact OD1-CZ 2.61Å; D16-R20 IonicContact OD1-NE 3.89Å; D16-R20 IonicContact OD2-CZ 2.74Å; D16-R20 IonicContact OD2-NE 3.92Å; D16-R20 PolarHBondContact OD2-NE 3.28Å; D16-R20 IonicContact OD2-NH2 3.35Å; D16-R20 PolarHBondContact OD2-NH2 3.33Å; F17-R20 PolarHBondContact O-N 3.4Å; R20-V23 PolarHBondContact O-N 2.84Å; R20-A24 VanDerWaalsContact O-CB 3.32Å; R20-A24 WeakPolarHBondContact O-CB 3.43Å; R20-A24 PolarHBondContact O-N 3.18Å
21	E	73.6	Confident	75	Confident	130 Å²	130	87 Å²	87	61%	0.607	47%	0.465	S	S	*	.	H	α-helix	trans	-62.1	-42.6	176.3	-76	-179.3	170.6	0	0	112	F17 A24 S25	F17-E21 PolarHBondContact O-N 3.38Å; E21-A24 PolarHBondContact O-N 2.85Å; E21-S25 WeakPolarHBondContact O-CB 3.36Å; E21-S25 PolarHBondContact O-N 3.12Å; E21-S25 PolarHBondContact O-OG 3.44Å
22	R	73.7	Confident	76.2	Confident	130 Å²	130	85.5 Å²	85.5	49%	0.491	44%	0.444	S	S	.	.	H	α-helix	trans	-65.2	-43.2	176.8	-174.2	168.7	170	174.5	-10.1	112.2	Q18 H19 S25 H26 D179	Q18-R22 WeakPolarHBondContact O-CB 3.42Å; Q18-R22 PolarHBondContact O-N 3.02Å; Q18-R22 VanDerWaalsContact O-N 3.11Å; H19-R22 PolarHBondContact O-N 2.88Å; R22-S25 WeakPolarHBondContact CA-OG 3.33Å; R22-S25 PolarHBondContact O-OG 3.48Å; R22-H26 PolarHBondContact NE-NE2 2.95Å; R22-H26 PolarHBondContact O-CD2 3.05Å; R22-H26 PolarHBondContact O-N 3.24Å; R22-H26 VanDerWaalsContact O-N 3.09Å; R22-D179 IonicContact CZ-OD2 2.69Å; R22-D179 IonicContact NE-OD2 3.33Å; R22-D179 IonicContact NH2-OD2 3.94Å; R22-D179 PolarHBondContact NH2-OD2 3.35Å
23	V	73.5	Confident	77.7	Confident	78 Å²	78	84 Å²	84	47%	0.473	43%	0.434	S	S	.	.	H	α-helix	trans	-64.6	-42.7	176.5	172.8	0	0	0	0	111.4	H19 R20 H26 Y27	H19-V23 WeakPolarHBondContact O-CG2 3.24Å; H19-V23 PolarHBondContact O-N 2.88Å; R20-V23 PolarHBondContact O-N 2.84Å; V23-H26 PolarHBondContact O-N 2.99Å; V23-Y27 PolarHBondContact O-N 3.5Å; V23-Y27 VanDerWaalsContact O-N 3.07Å
24	A	72.8	Confident	78.8	Confident	51 Å²	51	80.5 Å²	80.5	42%	0.421	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-45.2	178.2	0	0	0	0	0	112.1	R20 E21 Y27 Q28	R20-A24 VanDerWaalsContact O-CB 3.32Å; R20-A24 WeakPolarHBondContact O-CB 3.43Å; R20-A24 PolarHBondContact O-N 3.18Å; E21-A24 PolarHBondContact O-N 2.85Å; A24-Y27 PolarHBondContact O-N 3.25Å; A24-Q28 WeakPolarHBondContact O-CG 3.38Å; A24-Q28 PolarHBondContact O-N 2.88Å
25	S	74.2	Confident	80.2	Confident	62 Å²	62	81.7 Å²	81.7	43%	0.434	42%	0.417	S	S	.	.	H	α-helix	trans	-64.6	-39.5	178	56.5	0	0	0	0	112.7	E21 R22 Y27 Q28 M29	E21-S25 WeakPolarHBondContact O-CB 3.36Å; E21-S25 PolarHBondContact O-N 3.12Å; E21-S25 PolarHBondContact O-OG 3.44Å; R22-S25 WeakPolarHBondContact CA-OG 3.33Å; R22-S25 PolarHBondContact O-OG 3.48Å; S25-Y27 VanDerWaalsContact C-N 3.35Å; S25-Y27 PolarHBondContact O-N 3.02Å; S25-Q28 PolarHBondContact O-N 3.44Å; S25-M29 WeakPolarHBondContact O-CB 3.35Å; S25-M29 PolarHBondContact O-N 3.35Å
26	H	76.3	Confident	81.5	Confident	51 Å²	51	80.6 Å²	80.6	24%	0.236	40%	0.402	C	S	.	.	H	α-helix	trans	-61.8	-40.8	172.9	-74.7	-53.2	0	0	0	112.6	R22 V23 S30	R22-H26 PolarHBondContact NE-NE2 2.95Å; R22-H26 PolarHBondContact O-CD2 3.05Å; R22-H26 PolarHBondContact O-N 3.24Å; R22-H26 VanDerWaalsContact O-N 3.09Å; V23-H26 PolarHBondContact O-N 2.99Å; H26-S30 WeakPolarHBondContact O-CB 3.21Å; H26-S30 PolarHBondContact O-N 2.89Å
27	Y	77.8	Confident	82.7	Confident	166 Å²	166	78.6 Å²	78.6	65%	0.651	39%	0.391	S	S	*	.	H	α-helix	trans	-67	-46.8	177.8	-172.3	-97.5	0	0	0	111.7	V23 A24 S25 M29 S30 V31	V23-Y27 PolarHBondContact O-N 3.5Å; V23-Y27 VanDerWaalsContact O-N 3.07Å; A24-Y27 PolarHBondContact O-N 3.25Å; S25-Y27 VanDerWaalsContact C-N 3.35Å; S25-Y27 PolarHBondContact O-N 3.02Å; Y27-M29 VanDerWaalsContact C-N 3.34Å; Y27-M29 PolarHBondContact O-N 3.3Å; Y27-S30 PolarHBondContact O-N 3.43Å; Y27-V31 HydrophobicContact CD1-CG2 4.06Å; Y27-V31 HydrophobicContact CE1-CG2 3.69Å; Y27-V31 WeakPolarHBondContact O-CG2 3.2Å; Y27-V31 PolarHBondContact O-N 3.41Å
28	Q	84.4	Confident	83.9	Confident	142 Å²	142	79.6 Å²	79.6	66%	0.664	39%	0.392	S	S	*	.	H	α-helix	trans	-59.2	-44.5	176.8	-74.2	-171.9	-17.4	0	0	112	A24 S25 S30 V31 A32	A24-Q28 WeakPolarHBondContact O-CG 3.38Å; A24-Q28 PolarHBondContact O-N 2.88Å; S25-Q28 PolarHBondContact O-N 3.44Å; Q28-S30 PolarHBondContact O-N 2.81Å; Q28-V31 PolarHBondContact O-N 2.88Å; Q28-A32 PolarHBondContact O-N 3.38Å
29	M	88.1	Confident	85.1	Confident	108 Å²	108	78.3 Å²	78.3	53%	0.532	38%	0.384	S	S	.	.	H	α-helix	trans	-60.4	-44.3	175.8	-174.4	64.4	68.6	0	0	111.7	S25 Y27 V31 A32 L33	S25-M29 WeakPolarHBondContact O-CB 3.35Å; S25-M29 PolarHBondContact O-N 3.35Å; Y27-M29 VanDerWaalsContact C-N 3.34Å; Y27-M29 PolarHBondContact O-N 3.3Å; M29-V31 PolarHBondContact O-N 2.86Å; M29-A32 PolarHBondContact O-N 3.26Å; M29-L33 HydrophobicContact CG-CD1 3.92Å; M29-L33 WeakPolarHBondContact O-CB 3.34Å; M29-L33 VanDerWaalsContact O-CG 3.3Å; M29-L33 WeakPolarHBondContact O-CG 3.4Å; M29-L33 PolarHBondContact O-N 3.26Å; M29-L33 HydrophobicContact SD-CD1 4.24Å; M29-L33 HydrophobicContact SD-CG 4.38Å
30	S	89.6	Confident	86.4	Confident	10 Å²	10	75.5 Å²	75.5	7%	0.07	37%	0.372	C	S	.	.	H	α-helix	trans	-63.2	-42.5	178.2	-173.2	0	0	0	0	112.1	H26 Y27 Q28 K34 L169 W173	H26-S30 WeakPolarHBondContact O-CB 3.21Å; H26-S30 PolarHBondContact O-N 2.89Å; Y27-S30 PolarHBondContact O-N 3.43Å; Q28-S30 PolarHBondContact O-N 2.81Å; S30-K34 WeakPolarHBondContact O-CB 3.49Å; S30-K34 WeakPolarHBondContact O-CG 3.36Å; S30-K34 PolarHBondContact O-N 3.1Å; S30-L169 VanDerWaalsContact OG-CD1 3.26Å; S30-L169 WeakPolarHBondContact OG-CD1 3.37Å; S30-W173 PolarHBondContact OG-NE1 2.69Å
31	V	91.8	Very high	87.6	Confident	70 Å²	70	70.7 Å²	70.7	42%	0.424	35%	0.354	S	S	.	.	H	α-helix	trans	-63.1	-45.8	177.7	172.4	0	0	0	0	111	Y27 Q28 M29 K34 S35	Y27-V31 HydrophobicContact CD1-CG2 4.06Å; Y27-V31 HydrophobicContact CE1-CG2 3.69Å; Y27-V31 WeakPolarHBondContact O-CG2 3.2Å; Y27-V31 PolarHBondContact O-N 3.41Å; Q28-V31 PolarHBondContact O-N 2.88Å; M29-V31 PolarHBondContact O-N 2.86Å; V31-K34 PolarHBondContact O-N 3.25Å; V31-S35 PolarHBondContact O-N 2.87Å; V31-S35 VanDerWaalsContact O-N 3.1Å
32	A	93.3	Very high	88.8	Confident	49 Å²	49	68.5 Å²	68.5	41%	0.405	35%	0.346	S	S	.	.	H	α-helix	trans	-58.9	-52.7	177.7	0	0	0	0	0	111.2	Q28 M29 K34 S35 E36	Q28-A32 PolarHBondContact O-N 3.38Å; M29-A32 PolarHBondContact O-N 3.26Å; A32-K34 VanDerWaalsContact C-N 3.35Å; A32-K34 PolarHBondContact O-N 3.34Å; A32-S35 PolarHBondContact O-N 3.45Å; A32-S35 VanDerWaalsContact O-N 3.08Å; A32-S35 PolarHBondContact O-OG 3.4Å; A32-E36 PolarHBondContact O-N 2.81Å; A32-E36 VanDerWaalsContact O-N 3.09Å
33	L	95.1	Very high	89.9	Confident	11 Å²	11	65.3 Å²	65.3	6%	0.058	34%	0.34	C	S	.	.	H	α-helix	trans	-60.2	-40.6	179.8	-69.6	169.9	0	0	0	112.9	M29 S35 E36 I37 Y165 K168 L169	M29-L33 HydrophobicContact CG-CD1 3.92Å; M29-L33 WeakPolarHBondContact O-CB 3.34Å; M29-L33 VanDerWaalsContact O-CG 3.3Å; M29-L33 WeakPolarHBondContact O-CG 3.4Å; M29-L33 PolarHBondContact O-N 3.26Å; M29-L33 HydrophobicContact SD-CD1 4.24Å; M29-L33 HydrophobicContact SD-CG 4.38Å; L33-S35 VanDerWaalsContact C-N 3.3Å; L33-S35 PolarHBondContact O-N 3.45Å; L33-E36 PolarHBondContact O-N 3.2Å; L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.26Å; L33-I37 PolarHBondContact O-N 3.36Å; L33-Y165 HydrophobicContact CD2-CD1 3.63Å; L33-Y165 HydrophobicContact CD2-CE1 4.44Å; L33-Y165 HydrophobicContact CD2-CG 4.3Å; L33-K168 HydrophobicContact CD1-CB 3.84Å; L33-K168 HydrophobicContact CD2-CB 4.14Å; L33-L169 HydrophobicContact CB-CB 4.25Å; L33-L169 HydrophobicContact CB-CD1 4.17Å; L33-L169 HydrophobicContact CD1-CB 4.24Å
34	K	95.9	Very high	91.1	Very high	41 Å²	41	61.6 Å²	61.6	18%	0.178	32%	0.318	C	S	.	.	H	α-helix	trans	-60.4	-39.8	174.9	-75.6	171.5	172.8	-160.7	0	112.3	S30 V31 A32 R38 L92 N95 L169	S30-K34 WeakPolarHBondContact O-CB 3.49Å; S30-K34 WeakPolarHBondContact O-CG 3.36Å; S30-K34 PolarHBondContact O-N 3.1Å; V31-K34 PolarHBondContact O-N 3.25Å; A32-K34 VanDerWaalsContact C-N 3.35Å; A32-K34 PolarHBondContact O-N 3.34Å; K34-R38 VanDerWaalsContact O-CB 3.3Å; K34-R38 WeakPolarHBondContact O-CB 3.48Å; K34-R38 PolarHBondContact O-N 3.44Å; K34-L92 HydrophobicContact CB-CD2 4.45Å; K34-L92 VanDerWaalsContact CE-O 3.32Å; K34-L92 WeakPolarHBondContact CE-O 3.48Å; K34-L92 HydrophobicContact CG-CD2 4.04Å; K34-L92 PolarHBondContact NZ-O 3.02Å; K34-N95 WeakPolarHBondContact CE-OD1 3.44Å; K34-N95 PolarHBondContact NZ-OD1 3.14Å; K34-L169 HydrophobicContact CG-CD1 4.2Å; K34-L169 HydrophobicContact CG-CD2 3.95Å
35	S	95.9	Very high	92.3	Very high	54 Å²	54	61.5 Å²	61.5	38%	0.378	31%	0.312	S	S	.	.	H	α-helix	trans	-67.4	-41.3	179	78	0	0	0	0	111.5	V31 A32 L33 R38 K39	V31-S35 PolarHBondContact O-N 2.87Å; V31-S35 VanDerWaalsContact O-N 3.1Å; A32-S35 PolarHBondContact O-N 3.45Å; A32-S35 VanDerWaalsContact O-N 3.08Å; A32-S35 PolarHBondContact O-OG 3.4Å; L33-S35 VanDerWaalsContact C-N 3.3Å; L33-S35 PolarHBondContact O-N 3.45Å; S35-R38 PolarHBondContact O-N 3.26Å; S35-K39 WeakPolarHBondContact O-CG 3.4Å; S35-K39 PolarHBondContact O-N 3.15Å
36	E	97.3	Very high	93.4	Very high	65 Å²	65	63.3 Å²	63.3	30%	0.304	32%	0.316	S	S	.	.	H	α-helix	trans	-62.4	-48.8	174.7	-64.7	-53.3	140.4	0	0	111.8	A32 L33 R38 K39 L40 Y165	A32-E36 PolarHBondContact O-N 2.81Å; A32-E36 VanDerWaalsContact O-N 3.09Å; L33-E36 PolarHBondContact O-N 3.2Å; E36-R38 VanDerWaalsContact C-N 3.29Å; E36-R38 PolarHBondContact O-N 3.45Å; E36-K39 VanDerWaalsContact CD-CE 3.48Å; E36-K39 PolarHBondContact O-N 3.1Å; E36-K39 WeakPolarHBondContact OE1-CE 3.27Å; E36-K39 IonicContact OE1-NZ 2.7Å; E36-K39 PolarHBondContact OE1-NZ 3.35Å; E36-K39 WeakPolarHBondContact OE2-CE 3.27Å; E36-K39 IonicContact OE2-NZ 2.81Å; E36-K39 PolarHBondContact OE2-NZ 3.34Å; E36-L40 WeakPolarHBondContact O-CG 3.47Å; E36-L40 PolarHBondContact O-N 3.25Å; E36-Y165 HydrophobicContact CB-CD2 4Å; E36-Y165 HydrophobicContact CB-CE2 4.09Å; E36-Y165 HydrophobicContact CB-CG 4.39Å
37	I	97.1	Very high	94.4	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-59.5	-42.1	176.4	-66.8	163.7	0	0	0	110.7	L33 K39 L40 N41 S88 L92 L169	L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.26Å; L33-I37 PolarHBondContact O-N 3.36Å; I37-K39 PolarHBondContact O-N 3.31Å; I37-L40 PolarHBondContact O-N 3.45Å; I37-N41 WeakPolarHBondContact O-CB 3.41Å; I37-N41 PolarHBondContact O-N 2.86Å; I37-N41 PolarHBondContact O-OD1 3.32Å; I37-S88 WeakPolarHBondContact CG2-OG 3.43Å; I37-L92 HydrophobicContact CG2-CD1 4.43Å; I37-L92 HydrophobicContact CG2-CD2 4.31Å; I37-L169 HydrophobicContact CD1-CB 4.15Å; I37-L169 HydrophobicContact CD1-CD2 3.54Å; I37-L169 HydrophobicContact CD1-CG 4.5Å
38	R	96.9	Very high	95.3	Very high	131 Å²	131	56.9 Å²	56.9	49%	0.494	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-44.7	177.9	-176.5	179.2	-65.6	-171.8	-1	111.9	K34 S35 E36 N41 I42 F89 L92	K34-R38 VanDerWaalsContact O-CB 3.3Å; K34-R38 WeakPolarHBondContact O-CB 3.48Å; K34-R38 PolarHBondContact O-N 3.44Å; S35-R38 PolarHBondContact O-N 3.26Å; E36-R38 VanDerWaalsContact C-N 3.29Å; E36-R38 PolarHBondContact O-N 3.45Å; R38-N41 PolarHBondContact O-N 2.79Å; R38-I42 HydrophobicContact CG-CD1 4.16Å; R38-I42 VanDerWaalsContact O-CG1 3.3Å; R38-I42 WeakPolarHBondContact O-CG1 3.17Å; R38-I42 PolarHBondContact O-N 2.81Å; R38-F89 HydrophobicContact CG-CE1 4.18Å; R38-L92 HydrophobicContact CB-CD1 4.29Å
39	K	97.7	Very high	96	Very high	108 Å²	108	54.4 Å²	54.4	47%	0.47	28%	0.281	S	S	.	.	H	α-helix	trans	-60.7	-47.2	176.9	-72.4	-179.4	-62.4	177.7	0	110.8	S35 E36 I37 N41 I42 V43	S35-K39 WeakPolarHBondContact O-CG 3.4Å; S35-K39 PolarHBondContact O-N 3.15Å; E36-K39 VanDerWaalsContact CD-CE 3.48Å; E36-K39 PolarHBondContact O-N 3.1Å; E36-K39 WeakPolarHBondContact OE1-CE 3.27Å; E36-K39 IonicContact OE1-NZ 2.7Å; E36-K39 PolarHBondContact OE1-NZ 3.35Å; E36-K39 WeakPolarHBondContact OE2-CE 3.27Å; E36-K39 IonicContact OE2-NZ 2.81Å; E36-K39 PolarHBondContact OE2-NZ 3.34Å; I37-K39 PolarHBondContact O-N 3.31Å; K39-N41 PolarHBondContact O-N 3.16Å; K39-I42 PolarHBondContact O-N 3.09Å; K39-V43 WeakPolarHBondContact O-CG2 3.26Å; K39-V43 PolarHBondContact O-N 3.01Å
40	L	97.9	Very high	96.4	Very high	27 Å²	27	55.2 Å²	55.2	14%	0.141	29%	0.287	C	S	.	.	H	α-helix	trans	-62.8	-41.9	178.5	-68.9	167.2	0	0	0	112.3	E36 I37 I42 V43 H44 V158 W161 Q162 Y165	E36-L40 WeakPolarHBondContact O-CG 3.47Å; E36-L40 PolarHBondContact O-N 3.25Å; I37-L40 PolarHBondContact O-N 3.45Å; L40-I42 VanDerWaalsContact C-N 3.31Å; L40-I42 PolarHBondContact O-N 2.83Å; L40-V43 PolarHBondContact O-N 3.23Å; L40-H44 PolarHBondContact O-N 3.49Å; L40-V158 HydrophobicContact CB-CG1 4.45Å; L40-V158 HydrophobicContact CD2-CG1 4.33Å; L40-W161 HydrophobicContact CD1-CB 3.69Å; L40-W161 HydrophobicContact CD2-CB 4.25Å; L40-Q162 HydrophobicContact CD1-CB 4.43Å; L40-Y165 HydrophobicContact CD1-CD2 3.61Å; L40-Y165 HydrophobicContact CD1-CE2 3.91Å
41	N	97.2	Very high	96.7	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-62.1	-38.5	175.7	-68.5	-4.8	0	0	0	111.8	I37 R38 K39 H44 V45 S88 F89 Q162	I37-N41 WeakPolarHBondContact O-CB 3.41Å; I37-N41 PolarHBondContact O-N 2.86Å; I37-N41 PolarHBondContact O-OD1 3.32Å; R38-N41 PolarHBondContact O-N 2.79Å; K39-N41 PolarHBondContact O-N 3.16Å; N41-H44 PolarHBondContact O-N 3.37Å; N41-V45 VanDerWaalsContact O-CG2 3.27Å; N41-V45 WeakPolarHBondContact O-CG2 3.4Å; N41-V45 PolarHBondContact O-N 3.43Å; N41-S88 VanDerWaalsContact ND2-CB 3.31Å; N41-S88 WeakPolarHBondContact ND2-CB 3.48Å; N41-S88 PolarHBondContact ND2-OG 3.16Å; N41-F89 HydrophobicContact CB-CD2 4.36Å; N41-F89 HydrophobicContact CB-CE1 3.87Å; N41-F89 HydrophobicContact CB-CE2 3.59Å; N41-F89 HydrophobicContact CB-CZ 3.3Å; N41-Q162 PolarHBondContact OD1-NE2 3.29Å; N41-Q162 VanDerWaalsContact OD1-NE2 3.08Å
42	I	97.7	Very high	96.9	Very high	85 Å²	85	52.5 Å²	52.5	44%	0.436	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-46	175.6	-68.4	165.2	0	0	0	110.1	R38 K39 L40 H44 V45 L46 F89	R38-I42 HydrophobicContact CG-CD1 4.16Å; R38-I42 VanDerWaalsContact O-CG1 3.3Å; R38-I42 WeakPolarHBondContact O-CG1 3.17Å; R38-I42 PolarHBondContact O-N 2.81Å; K39-I42 PolarHBondContact O-N 3.09Å; L40-I42 VanDerWaalsContact C-N 3.31Å; L40-I42 PolarHBondContact O-N 2.83Å; I42-H44 VanDerWaalsContact C-N 3.31Å; I42-H44 PolarHBondContact O-N 3.14Å; I42-V45 PolarHBondContact O-N 3.42Å; I42-L46 HydrophobicContact CG2-CD1 4.48Å; I42-L46 WeakPolarHBondContact O-CG 3.41Å; I42-L46 PolarHBondContact O-N 3.05Å; I42-F89 HydrophobicContact CG1-CZ 4.26Å
43	V	97.9	Very high	97	Very high	62 Å²	62	52.7 Å²	52.7	38%	0.376	27%	0.273	S	S	.	.	H	α-helix	trans	-58.7	-44.5	175.8	174.1	0	0	0	0	110.9	K39 L40 V45 L46 I47 V158	K39-V43 WeakPolarHBondContact O-CG2 3.26Å; K39-V43 PolarHBondContact O-N 3.01Å; L40-V43 PolarHBondContact O-N 3.23Å; V43-V45 PolarHBondContact O-N 3.2Å; V43-L46 WeakPolarHBondContact O-CB 3.25Å; V43-L46 PolarHBondContact O-N 3.43Å; V43-I47 HydrophobicContact CG1-CD1 4.12Å; V43-I47 WeakPolarHBondContact O-CG1 3.27Å; V43-I47 PolarHBondContact O-N 2.97Å; V43-V158 HydrophobicContact CG1-CG2 3.77Å
44	H	98	Very high	97	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-60.5	-44.8	175.3	177.1	64.2	0	0	0	112.2	L40 N41 I42 L46 I47 W48 Y78 S81 S85 V158 H159	L40-H44 PolarHBondContact O-N 3.49Å; N41-H44 PolarHBondContact O-N 3.37Å; I42-H44 VanDerWaalsContact C-N 3.31Å; I42-H44 PolarHBondContact O-N 3.14Å; H44-L46 VanDerWaalsContact C-N 3.27Å; H44-L46 PolarHBondContact O-N 3.04Å; H44-I47 PolarHBondContact O-N 3.11Å; H44-W48 WeakPolarHBondContact O-CB 3.3Å; H44-W48 PolarHBondContact O-N 3.29Å; H44-Y78 AromaticContact CE1-CZ 3.96Å; H44-S81 PolarHBondContact CE1-OG 3.36Å; H44-S81 PolarHBondContact NE2-O 2.94Å; H44-S81 VanDerWaalsContact NE2-O 3.14Å; H44-S81 PolarHBondContact NE2-OG 3.01Å; H44-S85 PolarHBondContact CD2-OG 3.25Å; H44-V158 HydrophobicContact CB-CG1 4.1Å; H44-H159 AromaticContact CE1-CE1 3.4Å; H44-H159 PolarHBondContact CE1-CE1 3.23Å; H44-H159 AromaticContact CE1-NE2 3.41Å; H44-H159 PolarHBondContact CE1-NE2 3.5Å; H44-H159 AromaticContact CG-CE1 3.69Å; H44-H159 AromaticContact ND1-CE1 3.09Å; H44-H159 PolarHBondContact ND1-CE1 3.22Å; H44-H159 AromaticContact ND1-NE2 3.1Å; H44-H159 PolarHBondContact ND1-NE2 3.03Å; H44-H159 VanDerWaalsContact ND1-NE2 3.1Å
45	V	97.8	Very high	97	Very high	48 Å²	48	52.1 Å²	52.1	29%	0.291	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-38.5	176.6	167.6	0	0	0	0	111.2	N41 I42 V43 W48 L49 F89	N41-V45 VanDerWaalsContact O-CG2 3.27Å; N41-V45 WeakPolarHBondContact O-CG2 3.4Å; N41-V45 PolarHBondContact O-N 3.43Å; I42-V45 PolarHBondContact O-N 3.42Å; V43-V45 PolarHBondContact O-N 3.2Å; V45-W48 PolarHBondContact O-N 3.38Å; V45-L49 HydrophobicContact CG1-CD1 4.03Å; V45-L49 HydrophobicContact CG1-CG 4.35Å; V45-L49 WeakPolarHBondContact O-CB 3.32Å; V45-L49 VanDerWaalsContact O-CG 3.26Å; V45-L49 WeakPolarHBondContact O-CG 3.45Å; V45-L49 PolarHBondContact O-N 2.93Å; V45-F89 HydrophobicContact CG2-CE2 4.26Å
46	L	97.8	Very high	96.9	Very high	101 Å²	101	53 Å²	53	53%	0.529	27%	0.274	S	S	.	.	H	α-helix	trans	-63.9	-46.7	174.8	-67.7	173.1	0	0	0	111.8	I42 V43 H44 W48 L49 L50	I42-L46 HydrophobicContact CG2-CD1 4.48Å; I42-L46 WeakPolarHBondContact O-CG 3.41Å; I42-L46 PolarHBondContact O-N 3.05Å; V43-L46 WeakPolarHBondContact O-CB 3.25Å; V43-L46 PolarHBondContact O-N 3.43Å; H44-L46 VanDerWaalsContact C-N 3.27Å; H44-L46 PolarHBondContact O-N 3.04Å; L46-W48 VanDerWaalsContact C-N 3.31Å; L46-W48 PolarHBondContact O-N 3.22Å; L46-L49 PolarHBondContact O-N 3.4Å; L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 3.42Å; L46-L50 VanDerWaalsContact O-N 3.12Å
47	I	97.1	Very high	96.8	Very high	20 Å²	20	51.5 Å²	51.5	10%	0.103	27%	0.27	C	S	.	.	H	α-helix	trans	-58.8	-46.7	175.3	-65.7	167.5	0	0	0	110.1	V43 H44 L49 L50 L51 V151 I154 V158	V43-I47 HydrophobicContact CG1-CD1 4.12Å; V43-I47 WeakPolarHBondContact O-CG1 3.27Å; V43-I47 PolarHBondContact O-N 2.97Å; H44-I47 PolarHBondContact O-N 3.11Å; I47-L49 PolarHBondContact O-N 2.9Å; I47-L50 PolarHBondContact O-N 3.1Å; I47-L51 HydrophobicContact CG2-CD1 4.06Å; I47-L51 VanDerWaalsContact O-CD1 3.3Å; I47-L51 WeakPolarHBondContact O-CD1 3.36Å; I47-L51 PolarHBondContact O-N 2.86Å; I47-V151 HydrophobicContact CG2-CG1 4.3Å; I47-I154 HydrophobicContact CD1-CG2 3.95Å; I47-V158 HydrophobicContact CD1-CG2 4.33Å
48	W	97.9	Very high	96.5	Very high	61 Å²	61	51.9 Å²	51.9	23%	0.231	27%	0.272	C	S	.	.	H	α-helix	trans	-61	-43.2	179.7	-177	90.9	0	0	0	112.2	H44 V45 L46 L50 L51 A52 L79 V82	H44-W48 WeakPolarHBondContact O-CB 3.3Å; H44-W48 PolarHBondContact O-N 3.29Å; V45-W48 PolarHBondContact O-N 3.38Å; L46-W48 VanDerWaalsContact C-N 3.31Å; L46-W48 PolarHBondContact O-N 3.22Å; W48-L50 VanDerWaalsContact C-N 3.32Å; W48-L50 PolarHBondContact O-N 3.09Å; W48-L51 PolarHBondContact O-N 3.3Å; W48-A52 HydrophobicContact CD2-CB 4.49Å; W48-A52 HydrophobicContact CE3-CB 4.29Å; W48-A52 HydrophobicContact CH2-CB 4.18Å; W48-A52 HydrophobicContact CZ2-CB 4.39Å; W48-A52 HydrophobicContact CZ3-CB 4.14Å; W48-A52 VanDerWaalsContact O-CB 3.27Å; W48-A52 WeakPolarHBondContact O-CB 3.38Å; W48-A52 PolarHBondContact O-N 2.98Å; W48-L79 PolarHBondContact NE1-O 3.21Å; W48-V82 HydrophobicContact CD2-CB 4.34Å; W48-V82 HydrophobicContact CZ2-CB 4.19Å; W48-V82 HydrophobicContact CZ2-CG1 4.2Å
49	L	97.8	Very high	96.2	Very high	91 Å²	91	50.9 Å²	50.9	48%	0.476	27%	0.273	S	S	.	.	H	α-helix	trans	-62	-39.8	176.9	-76.8	170.3	0	0	0	111.9	V45 L46 I47 A53	V45-L49 HydrophobicContact CG1-CD1 4.03Å; V45-L49 HydrophobicContact CG1-CG 4.35Å; V45-L49 WeakPolarHBondContact O-CB 3.32Å; V45-L49 VanDerWaalsContact O-CG 3.26Å; V45-L49 WeakPolarHBondContact O-CG 3.45Å; V45-L49 PolarHBondContact O-N 2.93Å; L46-L49 PolarHBondContact O-N 3.4Å; I47-L49 PolarHBondContact O-N 2.9Å; L49-A53 VanDerWaalsContact O-CB 3.24Å; L49-A53 WeakPolarHBondContact O-CB 3.45Å; L49-A53 PolarHBondContact O-N 3.4Å
50	L	96.2	Very high	96	Very high	125 Å²	125	51.2 Å²	51.2	65%	0.654	28%	0.279	S	S	*	.	H	α-helix	trans	-65.1	-43.7	176.5	-67.3	172.9	0	0	0	111.6	L46 I47 W48 A53 Q54	L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 3.42Å; L46-L50 VanDerWaalsContact O-N 3.12Å; I47-L50 PolarHBondContact O-N 3.1Å; W48-L50 VanDerWaalsContact C-N 3.32Å; W48-L50 PolarHBondContact O-N 3.09Å; L50-A53 PolarHBondContact O-N 2.84Å; L50-Q54 WeakPolarHBondContact O-CB 3.48Å; L50-Q54 PolarHBondContact O-N 3.19Å
51	L	96.3	Very high	95.7	Very high	6 Å²	6	54.9 Å²	54.9	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-67.1	-44.2	177.3	-92.4	66.5	0	0	0	111.4	I47 W48 A53 Q54 V55 W74 Y78 V151	I47-L51 HydrophobicContact CG2-CD1 4.06Å; I47-L51 VanDerWaalsContact O-CD1 3.3Å; I47-L51 WeakPolarHBondContact O-CD1 3.36Å; I47-L51 PolarHBondContact O-N 2.86Å; W48-L51 PolarHBondContact O-N 3.3Å; L51-A53 VanDerWaalsContact C-N 3.32Å; L51-A53 PolarHBondContact O-N 3.48Å; L51-Q54 PolarHBondContact O-N 3.03Å; L51-V55 VanDerWaalsContact O-CG2 3.27Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 2.85Å; L51-W74 HydrophobicContact CD2-CH2 4.06Å; L51-W74 HydrophobicContact CD2-CZ3 4.16Å; L51-Y78 HydrophobicContact CD2-CD1 3.53Å; L51-Y78 HydrophobicContact CD2-CE1 3.77Å; L51-V151 HydrophobicContact CD1-CG1 3.9Å
52	A	96.9	Very high	95.4	Very high	17 Å²	17	60.3 Å²	60.3	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-59.1	-45.4	175.6	0	0	0	0	0	110.8	W48 Q54 V55 T56 L79	W48-A52 HydrophobicContact CD2-CB 4.49Å; W48-A52 HydrophobicContact CE3-CB 4.29Å; W48-A52 HydrophobicContact CH2-CB 4.18Å; W48-A52 HydrophobicContact CZ2-CB 4.39Å; W48-A52 HydrophobicContact CZ3-CB 4.14Å; W48-A52 VanDerWaalsContact O-CB 3.27Å; W48-A52 WeakPolarHBondContact O-CB 3.38Å; W48-A52 PolarHBondContact O-N 2.98Å; A52-Q54 PolarHBondContact O-N 3.49Å; A52-V55 PolarHBondContact O-N 2.89Å; A52-T56 WeakPolarHBondContact O-CB 3.48Å; A52-T56 PolarHBondContact O-N 2.9Å; A52-T56 PolarHBondContact O-OG1 3.25Å; A52-L79 HydrophobicContact CB-CD2 4.05Å
53	A	95.5	Very high	95.1	Very high	53 Å²	53	59 Å²	59	44%	0.438	32%	0.324	S	S	.	.	H	α-helix	trans	-60.8	-45.6	175.9	0	0	0	0	0	112	L49 L50 L51 T56 V57	L49-A53 VanDerWaalsContact O-CB 3.24Å; L49-A53 WeakPolarHBondContact O-CB 3.45Å; L49-A53 PolarHBondContact O-N 3.4Å; L50-A53 PolarHBondContact O-N 2.84Å; L51-A53 VanDerWaalsContact C-N 3.32Å; L51-A53 PolarHBondContact O-N 3.48Å; A53-T56 PolarHBondContact O-N 3.38Å; A53-V57 WeakPolarHBondContact O-CB 3.03Å; A53-V57 VanDerWaalsContact O-CG2 3.23Å; A53-V57 WeakPolarHBondContact O-CG2 3.42Å; A53-V57 PolarHBondContact O-N 3.38Å
54	Q	94.4	Very high	94.7	Very high	29 Å²	29	59.5 Å²	59.5	14%	0.136	33%	0.33	C	S	.	.	H	α-helix	trans	-58.4	-49	175.9	-178	-151.4	-40	0	0	111.4	L50 L51 A52 V57 S58 V68 E75	L50-Q54 WeakPolarHBondContact O-CB 3.48Å; L50-Q54 PolarHBondContact O-N 3.19Å; L51-Q54 PolarHBondContact O-N 3.03Å; A52-Q54 PolarHBondContact O-N 3.49Å; Q54-V57 PolarHBondContact O-N 3.2Å; Q54-S58 PolarHBondContact O-N 2.97Å; Q54-V68 HydrophobicContact CG-CG1 3.85Å; Q54-E75 PolarHBondContact NE2-OE2 3.39Å; Q54-E75 PolarHBondContact OE1-OE2 3.32Å
55	V	95	Very high	94.2	Very high	11 Å²	11	63.9 Å²	63.9	7%	0.067	35%	0.35	C	S	.	.	H	α-helix	trans	-61.4	-47.1	178.8	173.2	0	0	0	0	110.5	L51 A52 S58 Q59 P71 E75 Y76 L79	L51-V55 VanDerWaalsContact O-CG2 3.27Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 2.85Å; A52-V55 PolarHBondContact O-N 2.89Å; V55-S58 PolarHBondContact O-N 3.27Å; V55-Q59 HydrophobicContact CG1-CG 4.14Å; V55-Q59 WeakPolarHBondContact O-CB 3.32Å; V55-Q59 WeakPolarHBondContact O-CG 3.48Å; V55-Q59 PolarHBondContact O-N 3.05Å; V55-P71 HydrophobicContact CB-CG 4.14Å; V55-P71 HydrophobicContact CG1-CG 4.34Å; V55-P71 HydrophobicContact CG2-CB 3.99Å; V55-P71 HydrophobicContact CG2-CG 3.68Å; V55-E75 HydrophobicContact CG2-CB 4.43Å; V55-Y76 HydrophobicContact CG1-CD1 4.49Å; V55-Y76 HydrophobicContact CG1-CE1 4.13Å; V55-L79 HydrophobicContact CG1-CD1 4.23Å; V55-L79 HydrophobicContact CG2-CD1 4.47Å
56	T	94.7	Very high	93.6	Very high	71 Å²	71	65.4 Å²	65.4	44%	0.436	36%	0.363	S	S	.	.	H	α-helix	trans	-62.4	-45.4	178.6	-61.8	0	0	0	0	112.1	A52 A53 S58 Q59 L60	A52-T56 WeakPolarHBondContact O-CB 3.48Å; A52-T56 PolarHBondContact O-N 2.9Å; A52-T56 PolarHBondContact O-OG1 3.25Å; A53-T56 PolarHBondContact O-N 3.38Å; T56-S58 VanDerWaalsContact C-N 3.3Å; T56-S58 PolarHBondContact O-N 3.35Å; T56-Q59 PolarHBondContact O-N 3Å; T56-L60 HydrophobicContact CG2-CD1 3.63Å; T56-L60 HydrophobicContact CG2-CG 4.24Å; T56-L60 WeakPolarHBondContact O-CB 3.37Å; T56-L60 WeakPolarHBondContact O-CG 3.3Å; T56-L60 PolarHBondContact O-N 3.42Å
57	V	94.5	Very high	93.2	Very high	35 Å²	35	63.1 Å²	63.1	21%	0.212	35%	0.353	C	S	.	.	H	α-helix	trans	-58.6	-43.6	177.1	163.9	0	0	0	0	111.2	A53 Q54 N61 L62 V63 V68	A53-V57 WeakPolarHBondContact O-CB 3.03Å; A53-V57 VanDerWaalsContact O-CG2 3.23Å; A53-V57 WeakPolarHBondContact O-CG2 3.42Å; A53-V57 PolarHBondContact O-N 3.38Å; Q54-V57 PolarHBondContact O-N 3.2Å; V57-N61 PolarHBondContact O-N 2.92Å; V57-L62 HydrophobicContact CG1-CB 4.24Å; V57-L62 HydrophobicContact CG2-CD1 4.09Å; V57-L62 PolarHBondContact O-N 3.19Å; V57-V63 HydrophobicContact CG1-CB 4.02Å; V57-V63 HydrophobicContact CG1-CG2 3.81Å; V57-V68 HydrophobicContact CG1-CB 4.42Å; V57-V68 HydrophobicContact CG1-CG1 4.46Å; V57-V68 HydrophobicContact CG1-CG2 4.29Å
58	S	91.3	Very high	93	Very high	7 Å²	7	62.6 Å²	62.6	5%	0.049	35%	0.351	C	S	.	.	H	α-helix	trans	-70.3	-39	178.1	-177.9	0	0	0	0	112.9	Q54 V55 T56 N61 H65 P71	Q54-S58 PolarHBondContact O-N 2.97Å; V55-S58 PolarHBondContact O-N 3.27Å; T56-S58 VanDerWaalsContact C-N 3.3Å; T56-S58 PolarHBondContact O-N 3.35Å; S58-N61 PolarHBondContact O-N 2.99Å; S58-N61 PolarHBondContact O-OD1 3.24Å; S58-H65 PolarHBondContact OG-CE1 2.95Å; S58-P71 WeakPolarHBondContact OG-CD 3.42Å
59	Q	91	Very high	92.7	Very high	110 Å²	110	60 Å²	60	51%	0.514	34%	0.342	S	S	.	.	H	α-helix	trans	-73.8	-35.3	-177.1	-72.6	-67.1	-20.1	0	0	112.4	V55 T56 N61 Y76	V55-Q59 HydrophobicContact CG1-CG 4.14Å; V55-Q59 WeakPolarHBondContact O-CB 3.32Å; V55-Q59 WeakPolarHBondContact O-CG 3.48Å; V55-Q59 PolarHBondContact O-N 3.05Å; T56-Q59 PolarHBondContact O-N 3Å; Q59-N61 VanDerWaalsContact C-N 3.28Å; Q59-Y76 PolarHBondContact NE2-OH 3.37Å
60	L	93.4	Very high	92.4	Very high	115 Å²	115	57.8 Å²	57.8	60%	0.602	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	0.6	176.5	-63.2	-179.6	0	0	0	113	T56 L62	T56-L60 HydrophobicContact CG2-CD1 3.63Å; T56-L60 HydrophobicContact CG2-CG 4.24Å; T56-L60 WeakPolarHBondContact O-CB 3.37Å; T56-L60 WeakPolarHBondContact O-CG 3.3Å; T56-L60 PolarHBondContact O-N 3.42Å; L60-L62 HydrophobicContact CB-CD1 4.39Å; L60-L62 HydrophobicContact CB-CD2 4.37Å; L60-L62 HydrophobicContact CB-CG 3.87Å; L60-L62 HydrophobicContact CD1-CD1 4.39Å; L60-L62 PolarHBondContact O-N 3.2Å
61	N	91.1	Very high	92.3	Very high	105 Å²	105	52 Å²	52	56%	0.561	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	36.8	-175.4	-61.5	-61.8	0	0	0	113	V57 S58 Q59 V63 H65	V57-N61 PolarHBondContact O-N 2.92Å; S58-N61 PolarHBondContact O-N 2.99Å; S58-N61 PolarHBondContact O-OD1 3.24Å; Q59-N61 VanDerWaalsContact C-N 3.28Å; N61-V63 PolarHBondContact O-N 3.12Å; N61-H65 PolarHBondContact OD1-NE2 3.49Å; N61-H65 VanDerWaalsContact OD1-NE2 3.15Å
62	L	91.6	Very high	92.3	Very high	114 Å²	114	52 Å²	52	60%	0.597	31%	0.307	S	S	*	.			trans	-64.9	-26.9	-179.1	-68.6	175.3	0	0	0	112	V57 L60	V57-L62 HydrophobicContact CG1-CB 4.24Å; V57-L62 HydrophobicContact CG2-CD1 4.09Å; V57-L62 PolarHBondContact O-N 3.19Å; L60-L62 HydrophobicContact CB-CD1 4.39Å; L60-L62 HydrophobicContact CB-CD2 4.37Å; L60-L62 HydrophobicContact CB-CG 3.87Å; L60-L62 HydrophobicContact CD1-CD1 4.39Å; L60-L62 PolarHBondContact O-N 3.2Å
63	V	91.2	Very high	92.3	Very high	58 Å²	58	56.6 Å²	56.6	35%	0.352	33%	0.325	S	S	.	.	S	Bend	trans	-136	151.1	177.6	-170.4	0	0	0	0	108.8	V57 N61 V67	V57-V63 HydrophobicContact CG1-CB 4.02Å; V57-V63 HydrophobicContact CG1-CG2 3.81Å; N61-V63 PolarHBondContact O-N 3.12Å; V63-V67 HydrophobicContact CG1-CB 3.65Å; V63-V67 HydrophobicContact CG1-CG1 3.94Å; V63-V67 HydrophobicContact CG1-CG2 3.97Å
64	S	89.5	Confident	92.4	Very high	72 Å²	72	54.1 Å²	54.1	50%	0.503	30%	0.304	S	S	.	.			trans	-54.8	140.6	173.6	179.7	0	0	0	0	112	S66 V67 V68	S64-S66 WeakPolarHBondContact CB-OG 3.38Å; S64-S66 PolarHBondContact O-N 2.6Å; S64-S66 PolarHBondContact OG-N 3.4Å; S64-S66 PolarHBondContact OG-OG 3.3Å; S64-V67 PolarHBondContact O-N 3.14Å; S64-V68 PolarHBondContact O-N 3.41Å
65	H	87.3	Confident	92.5	Very high	92 Å²	92	52.7 Å²	52.7	43%	0.426	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-11.8	173.9	-66.4	-54.3	0	0	0	114.7	S58 N61 V67 V68	S58-H65 PolarHBondContact OG-CE1 2.95Å; N61-H65 PolarHBondContact OD1-NE2 3.49Å; N61-H65 VanDerWaalsContact OD1-NE2 3.15Å; H65-V67 VanDerWaalsContact C-N 3.32Å; H65-V68 WeakPolarHBondContact CA-O 3.44Å
66	S	85.3	Confident	92.5	Very high	81 Å²	81	55.9 Å²	55.9	57%	0.566	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-28.8	169.8	60	0	0	0	0	112.9	S64	S64-S66 WeakPolarHBondContact CB-OG 3.38Å; S64-S66 PolarHBondContact O-N 2.6Å; S64-S66 PolarHBondContact OG-N 3.4Å; S64-S66 PolarHBondContact OG-OG 3.3Å
67	V	89.6	Confident	92.6	Very high	53 Å²	53	55 Å²	55	32%	0.321	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-45.2	179.6	-177	0	0	0	0	110.7	V63 S64 H65 I139 F140	V63-V67 HydrophobicContact CG1-CB 3.65Å; V63-V67 HydrophobicContact CG1-CG1 3.94Å; V63-V67 HydrophobicContact CG1-CG2 3.97Å; S64-V67 PolarHBondContact O-N 3.14Å; H65-V67 VanDerWaalsContact C-N 3.32Å; V67-I139 WeakPolarHBondContact O-CA 3.43Å; V67-F140 HydrophobicContact CG1-CD1 4.01Å; V67-F140 HydrophobicContact CG1-CE1 4.17Å; V67-F140 PolarHBondContact O-N 2.98Å
68	V	91.6	Very high	92.8	Very high	9 Å²	9	53.3 Å²	53.3	6%	0.055	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-125.1	101.9	178.1	-177.7	0	0	0	0	108.8	Q54 V57 S64 H65 F140	Q54-V68 HydrophobicContact CG-CG1 3.85Å; V57-V68 HydrophobicContact CG1-CB 4.42Å; V57-V68 HydrophobicContact CG1-CG1 4.46Å; V57-V68 HydrophobicContact CG1-CG2 4.29Å; S64-V68 PolarHBondContact O-N 3.41Å; H65-V68 WeakPolarHBondContact CA-O 3.44Å; V68-F140 HydrophobicContact CG2-CZ 4.42Å
69	A	91.9	Very high	93.1	Very high	5 Å²	5	55 Å²	55	4%	0.041	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-59.6	154.3	176.7	0	0	0	0	0	112.4	R137 F138 A144	A69-R137 HydrophobicContact CB-CB 3.68Å; A69-R137 HydrophobicContact CB-CG 4.17Å; A69-F138 VanDerWaalsContact CB-O 3.26Å; A69-F138 WeakPolarHBondContact CB-O 3.47Å; A69-F138 PolarHBondContact N-O 3.35Å; A69-A144 HydrophobicContact CB-CB 4.29Å
70	A	92.3	Very high	93.4	Very high	45 Å²	45	53.5 Å²	53.5	37%	0.372	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-58	136.2	172.3	0	0	0	0	0	111	R137	A70-R137 PolarHBondContact O-NH1 2.94Å
71	P	94.6	Very high	93.6	Very high	4 Å²	4	48 Å²	48	3%	0.026	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-53.5	146.2	178	-27.5	34	0	0	0	113	V55 S58 E75 Y76	V55-P71 HydrophobicContact CB-CG 4.14Å; V55-P71 HydrophobicContact CG1-CG 4.34Å; V55-P71 HydrophobicContact CG2-CB 3.99Å; V55-P71 HydrophobicContact CG2-CG 3.68Å; S58-P71 WeakPolarHBondContact OG-CD 3.42Å; P71-E75 WeakPolarHBondContact CA-OE1 3.16Å; P71-E75 HydrophobicContact CB-CB 4.24Å; P71-E75 WeakPolarHBondContact CB-OE2 3.26Å; P71-Y76 HydrophobicContact CB-CE2 4.08Å
72	Y	95.6	Very high	93.8	Very high	6 Å²	6	44.9 Å²	44.9	2%	0.024	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-69.1	158.1	166.5	-67.7	-81.5	0	0	0	111.1	W74 E75 Y76 M122 A144 V145 M148	Y72-W74 PolarHBondContact O-N 2.91Å; Y72-E75 WeakPolarHBondContact CD2-OE1 3.31Å; Y72-E75 PolarHBondContact N-OE1 3.19Å; Y72-E75 WeakPolarHBondContact O-CB 3.44Å; Y72-E75 PolarHBondContact O-N 3.03Å; Y72-E75 VanDerWaalsContact O-N 3.16Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.3Å; Y72-M122 HydrophobicContact CD1-CG 3.83Å; Y72-M122 HydrophobicContact CD1-SD 4.41Å; Y72-M122 HydrophobicContact CD2-CG 4.32Å; Y72-M122 HydrophobicContact CD2-SD 3.83Å; Y72-M122 HydrophobicContact CE1-CG 3.93Å; Y72-M122 HydrophobicContact CE1-SD 4.46Å; Y72-M122 HydrophobicContact CE2-CG 4.42Å; Y72-M122 HydrophobicContact CE2-SD 3.9Å; Y72-M122 HydrophobicContact CG-CG 4.04Å; Y72-M122 HydrophobicContact CG-SD 4.11Å; Y72-A144 HydrophobicContact CE2-CB 4.37Å; Y72-V145 PolarHBondContact OH-N 2.96Å; Y72-M148 HydrophobicContact CD2-CB 4.45Å; Y72-M148 HydrophobicContact CD2-CG 4Å; Y72-M148 HydrophobicContact CE2-CB 4.29Å; Y72-M148 HydrophobicContact CE2-CG 3.86Å
73	Q	96.6	Very high	94.1	Very high	114 Å²	114	42.2 Å²	42.2	53%	0.533	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-31.7	-175.8	-64.9	-60.8	-45.3	0	0	112.1	E75 P77 Y117 E121	Q73-E75 VanDerWaalsContact C-N 3.27Å; Q73-E75 PolarHBondContact O-N 3.25Å; Q73-P77 WeakPolarHBondContact O-CD 3.1Å; Q73-Y117 HydrophobicContact CB-CE1 4.01Å; Q73-E121 WeakPolarHBondContact CB-OE1 3.31Å; Q73-E121 WeakPolarHBondContact CG-OE1 3.39Å; Q73-E121 PolarHBondContact N-OE1 3.33Å; Q73-E121 PolarHBondContact N-OE2 3.18Å; Q73-E121 VanDerWaalsContact N-OE2 3.14Å
74	W	97.1	Very high	94.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-24.9	177.4	74.9	-95.9	0	0	0	114.6	L51 Y72 Y76 P77 Y78 P114 L115 Y117 E121 M122 M148 M152	L51-W74 HydrophobicContact CD2-CH2 4.06Å; L51-W74 HydrophobicContact CD2-CZ3 4.16Å; Y72-W74 PolarHBondContact O-N 2.91Å; W74-Y76 VanDerWaalsContact C-N 3.32Å; W74-Y76 PolarHBondContact O-N 3Å; W74-P77 VanDerWaalsContact O-CD 3.32Å; W74-P77 WeakPolarHBondContact O-CD 3.33Å; W74-P77 WeakPolarHBondContact O-CG 3.19Å; W74-Y78 HydrophobicContact CE3-CG 4.25Å; W74-Y78 HydrophobicContact CZ3-CD1 4.09Å; W74-Y78 HydrophobicContact CZ3-CD2 4.35Å; W74-Y78 AromaticContact CZ3-CG 3.91Å; W74-Y78 HydrophobicContact CZ3-CG 3.91Å; W74-Y78 VanDerWaalsContact O-CB 3.28Å; W74-Y78 WeakPolarHBondContact O-CB 3.45Å; W74-Y78 PolarHBondContact O-N 2.93Å; W74-P114 WeakPolarHBondContact CB-O 3.42Å; W74-L115 HydrophobicContact CE3-CD2 4.35Å; W74-L115 HydrophobicContact CH2-CD2 4.32Å; W74-L115 HydrophobicContact CZ3-CD2 3.78Å; W74-Y117 HydrophobicContact CB-CD1 3.68Å; W74-Y117 HydrophobicContact CB-CE1 4.13Å; W74-E121 VanDerWaalsContact CD1-OE2 3.31Å; W74-E121 PolarHBondContact N-OE2 3.45Å; W74-M122 HydrophobicContact CZ2-CE 4.38Å; W74-M122 PolarHBondContact NE1-SD 2.95Å; W74-M148 HydrophobicContact CH2-CE 3.83Å; W74-M148 HydrophobicContact CZ2-CB 4.44Å; W74-M148 HydrophobicContact CZ2-CE 3.37Å; W74-M152 HydrophobicContact CD2-CE 3.94Å; W74-M152 HydrophobicContact CE3-CE 4.31Å; W74-M152 HydrophobicContact CG-CE 4.46Å; W74-M152 HydrophobicContact CH2-CE 4.18Å; W74-M152 HydrophobicContact CZ2-CE 3.77Å; W74-M152 HydrophobicContact CZ3-CE 4.43Å
75	E	96.5	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.6	-36.6	-177.4	-65.8	175.5	-129.9	0	0	111.1	Q54 V55 P71 Y72 Q73 Y78 L79 M148	Q54-E75 PolarHBondContact NE2-OE2 3.39Å; Q54-E75 PolarHBondContact OE1-OE2 3.32Å; V55-E75 HydrophobicContact CG2-CB 4.43Å; P71-E75 WeakPolarHBondContact CA-OE1 3.16Å; P71-E75 HydrophobicContact CB-CB 4.24Å; P71-E75 WeakPolarHBondContact CB-OE2 3.26Å; Y72-E75 WeakPolarHBondContact CD2-OE1 3.31Å; Y72-E75 PolarHBondContact N-OE1 3.19Å; Y72-E75 WeakPolarHBondContact O-CB 3.44Å; Y72-E75 PolarHBondContact O-N 3.03Å; Y72-E75 VanDerWaalsContact O-N 3.16Å; Q73-E75 VanDerWaalsContact C-N 3.27Å; Q73-E75 PolarHBondContact O-N 3.25Å; E75-Y78 WeakPolarHBondContact O-CB 3.32Å; E75-Y78 PolarHBondContact O-N 3.34Å; E75-L79 PolarHBondContact O-N 2.96Å; E75-L79 VanDerWaalsContact O-N 3.09Å; E75-M148 VanDerWaalsContact CD-CE 3.41Å; E75-M148 HydrophobicContact CG-CE 3.83Å; E75-M148 WeakPolarHBondContact OE1-CE 3.16Å
76	Y	96.4	Very high	95	Very high	78 Å²	78	35.9 Å²	35.9	31%	0.306	20%	0.2	S	C	.	.	H	α-helix	trans	-61	-57.1	-179.9	-59.7	-81.8	0	0	0	113.7	V55 Q59 P71 Y72 W74 Y78 L79	V55-Y76 HydrophobicContact CG1-CD1 4.49Å; V55-Y76 HydrophobicContact CG1-CE1 4.13Å; Q59-Y76 PolarHBondContact NE2-OH 3.37Å; P71-Y76 HydrophobicContact CB-CE2 4.08Å; Y72-Y76 WeakPolarHBondContact O-CD2 3.3Å; W74-Y76 VanDerWaalsContact C-N 3.32Å; W74-Y76 PolarHBondContact O-N 3Å; Y76-Y78 PolarHBondContact O-N 3.06Å; Y76-L79 WeakPolarHBondContact O-CB 3.47Å; Y76-L79 PolarHBondContact O-N 2.7Å; Y76-L79 VanDerWaalsContact O-N 3.16Å
77	P	97.1	Very high	95.6	Very high	51 Å²	51	34.9 Å²	34.9	33%	0.331	19%	0.186	S	C	.	.	H	α-helix	trans	-65.8	-26.6	175.1	27.3	-33.9	0	0	0	112	Q73 W74 L79 L80 P114	Q73-P77 WeakPolarHBondContact O-CD 3.1Å; W74-P77 VanDerWaalsContact O-CD 3.32Å; W74-P77 WeakPolarHBondContact O-CD 3.33Å; W74-P77 WeakPolarHBondContact O-CG 3.19Å; P77-L79 PolarHBondContact O-N 2.81Å; P77-L80 VanDerWaalsContact O-CB 3.32Å; P77-L80 WeakPolarHBondContact O-CB 3.49Å; P77-L80 PolarHBondContact O-N 3.46Å; P77-L80 VanDerWaalsContact O-N 3.1Å; P77-P114 HydrophobicContact CB-CG 4.21Å; P77-P114 HydrophobicContact CG-CB 4.24Å; P77-P114 HydrophobicContact CG-CG 4.41Å
78	Y	97.8	Very high	95.9	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-66.5	-22.9	174.5	-170.5	-101.6	0	0	0	113.1	H44 L51 W74 E75 Y76 L80 S81 P114 L115 A155 H159	H44-Y78 AromaticContact CE1-CZ 3.96Å; L51-Y78 HydrophobicContact CD2-CD1 3.53Å; L51-Y78 HydrophobicContact CD2-CE1 3.77Å; W74-Y78 HydrophobicContact CE3-CG 4.25Å; W74-Y78 HydrophobicContact CZ3-CD1 4.09Å; W74-Y78 HydrophobicContact CZ3-CD2 4.35Å; W74-Y78 AromaticContact CZ3-CG 3.91Å; W74-Y78 HydrophobicContact CZ3-CG 3.91Å; W74-Y78 VanDerWaalsContact O-CB 3.28Å; W74-Y78 WeakPolarHBondContact O-CB 3.45Å; W74-Y78 PolarHBondContact O-N 2.93Å; E75-Y78 WeakPolarHBondContact O-CB 3.32Å; E75-Y78 PolarHBondContact O-N 3.34Å; Y76-Y78 PolarHBondContact O-N 3.06Å; Y78-L80 PolarHBondContact O-N 3.21Å; Y78-L80 VanDerWaalsContact O-N 3.15Å; Y78-S81 WeakPolarHBondContact O-CB 3.24Å; Y78-S81 PolarHBondContact O-N 3.34Å; Y78-S81 PolarHBondContact O-OG 3.31Å; Y78-P114 HydrophobicContact CD2-CB 4.15Å; Y78-L115 HydrophobicContact CD2-CD2 4.1Å; Y78-L115 HydrophobicContact CD2-CG 4.05Å; Y78-L115 HydrophobicContact CE2-CD1 3.86Å; Y78-L115 HydrophobicContact CE2-CD2 3.74Å; Y78-L115 HydrophobicContact CE2-CG 3.7Å; Y78-A155 WeakPolarHBondContact OH-CB 3.45Å; Y78-H159 AromaticContact CE2-NE2 3.96Å; Y78-H159 AromaticContact CZ-NE2 3.81Å; Y78-H159 PolarHBondContact OH-NE2 3.19Å
79	L	97.3	Very high	96.1	Very high	41 Å²	41	35.3 Å²	35.3	22%	0.215	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-60.8	-22.4	171.4	-65.7	175.7	0	0	0	112.5	W48 A52 V55 E75 Y76 P77 S81	W48-L79 PolarHBondContact NE1-O 3.21Å; A52-L79 HydrophobicContact CB-CD2 4.05Å; V55-L79 HydrophobicContact CG1-CD1 4.23Å; V55-L79 HydrophobicContact CG2-CD1 4.47Å; E75-L79 PolarHBondContact O-N 2.96Å; E75-L79 VanDerWaalsContact O-N 3.09Å; Y76-L79 WeakPolarHBondContact O-CB 3.47Å; Y76-L79 PolarHBondContact O-N 2.7Å; Y76-L79 VanDerWaalsContact O-N 3.16Å; P77-L79 PolarHBondContact O-N 2.81Å; L79-S81 PolarHBondContact O-N 3.03Å
80	L	97.4	Very high	96.4	Very high	80 Å²	80	40.1 Å²	40.1	42%	0.419	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-72.6	-10.2	173.9	-58.2	177.3	0	0	0	113.2	P77 Y78 V82 I83 P84 F110	P77-L80 VanDerWaalsContact O-CB 3.32Å; P77-L80 WeakPolarHBondContact O-CB 3.49Å; P77-L80 PolarHBondContact O-N 3.46Å; P77-L80 VanDerWaalsContact O-N 3.1Å; Y78-L80 PolarHBondContact O-N 3.21Å; Y78-L80 VanDerWaalsContact O-N 3.15Å; L80-V82 PolarHBondContact O-N 3.19Å; L80-I83 HydrophobicContact CB-CD1 4.25Å; L80-I83 HydrophobicContact CD2-CD1 4.21Å; L80-I83 WeakPolarHBondContact O-CB 3.47Å; L80-I83 WeakPolarHBondContact O-CG1 3.31Å; L80-I83 PolarHBondContact O-N 2.94Å; L80-P84 WeakPolarHBondContact O-CD 3.46Å; L80-F110 HydrophobicContact CB-CB 4.09Å; L80-F110 HydrophobicContact CB-CD1 3.81Å; L80-F110 HydrophobicContact CB-CE1 4.39Å; L80-F110 HydrophobicContact CB-CG 3.92Å; L80-F110 HydrophobicContact CD1-CD1 3.96Å; L80-F110 HydrophobicContact CD1-CE1 3.88Å
81	S	97.3	Very high	96.5	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-62.8	-10.2	175.8	66.4	0	0	0	0	114.2	H44 Y78 L79 I83 P84 S85 F110 C111	H44-S81 PolarHBondContact CE1-OG 3.36Å; H44-S81 PolarHBondContact NE2-O 2.94Å; H44-S81 VanDerWaalsContact NE2-O 3.14Å; H44-S81 PolarHBondContact NE2-OG 3.01Å; Y78-S81 WeakPolarHBondContact O-CB 3.24Å; Y78-S81 PolarHBondContact O-N 3.34Å; Y78-S81 PolarHBondContact O-OG 3.31Å; L79-S81 PolarHBondContact O-N 3.03Å; S81-I83 VanDerWaalsContact C-N 3.29Å; S81-P84 WeakPolarHBondContact O-CD 3.36Å; S81-P84 VanDerWaalsContact O-CG 3.31Å; S81-P84 WeakPolarHBondContact O-CG 3.33Å; S81-S85 PolarHBondContact O-OG 2.85Å; S81-F110 WeakPolarHBondContact CB-O 3.1Å; S81-C111 VanDerWaalsContact CB-SG 3.53Å
82	V	96.6	Very high	96.5	Very high	39 Å²	39	38 Å²	38	24%	0.236	19%	0.188	C	C	.	.	H	α-helix	trans	-66.1	-32.8	169.6	69.7	0	0	0	0	111.8	W48 L80 S85 L86	W48-V82 HydrophobicContact CD2-CB 4.34Å; W48-V82 HydrophobicContact CZ2-CB 4.19Å; W48-V82 HydrophobicContact CZ2-CG1 4.2Å; L80-V82 PolarHBondContact O-N 3.19Å; V82-S85 WeakPolarHBondContact O-CB 3.1Å; V82-S85 PolarHBondContact O-N 3.46Å; V82-L86 HydrophobicContact CG2-CD1 4.28Å; V82-L86 HydrophobicContact CG2-CG 4.24Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 3.08Å
83	I	96.5	Very high	96.3	Very high	57 Å²	57	42.3 Å²	42.3	29%	0.292	22%	0.217	S	C	.	.	H	α-helix	trans	-58.6	-56.2	-177.8	-60.4	171.5	0	0	0	112.1	L80 S81 S85 L86 F87 F110	L80-I83 HydrophobicContact CB-CD1 4.25Å; L80-I83 HydrophobicContact CD2-CD1 4.21Å; L80-I83 WeakPolarHBondContact O-CB 3.47Å; L80-I83 WeakPolarHBondContact O-CG1 3.31Å; L80-I83 PolarHBondContact O-N 2.94Å; S81-I83 VanDerWaalsContact C-N 3.29Å; I83-S85 PolarHBondContact O-N 3.36Å; I83-L86 PolarHBondContact O-N 3.48Å; I83-F87 HydrophobicContact CG2-CD2 3.96Å; I83-F87 HydrophobicContact CG2-CE2 3.76Å; I83-F87 WeakPolarHBondContact O-CD2 3.32Å; I83-F87 PolarHBondContact O-N 3.42Å; I83-F110 HydrophobicContact CD1-CE2 4.37Å
84	P	96.6	Very high	96	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.9	-34	177.5	17.5	-29.3	0	0	0	112.6	L80 S81 F87 S88 S103 S106 A107 C111	L80-P84 WeakPolarHBondContact O-CD 3.46Å; S81-P84 WeakPolarHBondContact O-CD 3.36Å; S81-P84 VanDerWaalsContact O-CG 3.31Å; S81-P84 WeakPolarHBondContact O-CG 3.33Å; P84-F87 PolarHBondContact O-N 3.44Å; P84-S88 WeakPolarHBondContact O-CB 3.48Å; P84-S88 PolarHBondContact O-N 3.27Å; P84-S103 WeakPolarHBondContact CB-O 3.3Å; P84-S103 WeakPolarHBondContact O-CB 3.39Å; P84-S103 PolarHBondContact O-OG 2.93Å; P84-S106 WeakPolarHBondContact CA-OG 3.28Å; P84-S106 WeakPolarHBondContact CB-OG 3.48Å; P84-A107 HydrophobicContact CB-CB 3.9Å; P84-A107 HydrophobicContact CG-CB 4.37Å; P84-C111 WeakPolarHBondContact CG-SG 3.42Å
85	S	94.9	Very high	95.8	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.007	25%	0.248	C	C	.	.	H	α-helix	trans	-69.7	-38.3	179.1	-61.9	0	0	0	0	112.5	H44 S81 V82 I83 S88 F89	H44-S85 PolarHBondContact CD2-OG 3.25Å; S81-S85 PolarHBondContact O-OG 2.85Å; V82-S85 WeakPolarHBondContact O-CB 3.1Å; V82-S85 PolarHBondContact O-N 3.46Å; I83-S85 PolarHBondContact O-N 3.36Å; S85-S88 WeakPolarHBondContact O-CB 3.4Å; S85-S88 PolarHBondContact O-N 2.87Å; S85-F89 WeakPolarHBondContact O-CD2 3.45Å; S85-F89 PolarHBondContact O-N 2.9Å
86	L	96.4	Very high	95.7	Very high	88 Å²	88	51.5 Å²	51.5	46%	0.461	26%	0.261	S	S	.	.	H	α-helix	trans	-60.7	-49.3	173	-69.9	170.9	0	0	0	111.2	V82 I83 S88 F89 M90	V82-L86 HydrophobicContact CG2-CD1 4.28Å; V82-L86 HydrophobicContact CG2-CG 4.24Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 3.08Å; I83-L86 PolarHBondContact O-N 3.48Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 PolarHBondContact O-N 2.91Å; L86-F89 PolarHBondContact O-N 2.91Å; L86-M90 WeakPolarHBondContact O-CG 3.4Å; L86-M90 PolarHBondContact O-N 3.41Å
87	F	97.4	Very high	95.6	Very high	61 Å²	61	49.7 Å²	49.7	27%	0.268	26%	0.256	S	S	.	.	H	α-helix	trans	-62.1	-36.6	175.9	-76.6	-68.3	0	0	0	112.3	I83 P84 M90 A91 Y99 I102	I83-F87 HydrophobicContact CG2-CD2 3.96Å; I83-F87 HydrophobicContact CG2-CE2 3.76Å; I83-F87 WeakPolarHBondContact O-CD2 3.32Å; I83-F87 PolarHBondContact O-N 3.42Å; P84-F87 PolarHBondContact O-N 3.44Å; F87-M90 PolarHBondContact O-N 3.03Å; F87-A91 WeakPolarHBondContact O-CB 3.28Å; F87-A91 PolarHBondContact O-N 3.07Å; F87-Y99 HydrophobicContact CD1-CD1 4.14Å; F87-Y99 HydrophobicContact CD1-CG 4.36Å; F87-Y99 HydrophobicContact CE1-CD1 4.41Å; F87-I102 HydrophobicContact CD1-CG2 4.16Å; F87-I102 HydrophobicContact CD2-CG2 3.81Å; F87-I102 HydrophobicContact CE1-CG2 4.29Å; F87-I102 HydrophobicContact CE2-CG2 3.95Å; F87-I102 HydrophobicContact CG-CG2 3.93Å; F87-I102 HydrophobicContact CZ-CG2 4.19Å
88	S	96.1	Very high	95.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-51.5	174.5	-171.5	0	0	0	0	110.8	I37 N41 P84 S85 L86 M90 A91 L92 S103	I37-S88 WeakPolarHBondContact CG2-OG 3.43Å; N41-S88 VanDerWaalsContact ND2-CB 3.31Å; N41-S88 WeakPolarHBondContact ND2-CB 3.48Å; N41-S88 PolarHBondContact ND2-OG 3.16Å; P84-S88 WeakPolarHBondContact O-CB 3.48Å; P84-S88 PolarHBondContact O-N 3.27Å; S85-S88 WeakPolarHBondContact O-CB 3.4Å; S85-S88 PolarHBondContact O-N 2.87Å; L86-S88 VanDerWaalsContact C-N 3.27Å; L86-S88 PolarHBondContact O-N 2.91Å; S88-M90 VanDerWaalsContact C-N 3.34Å; S88-M90 PolarHBondContact O-N 3.27Å; S88-A91 WeakPolarHBondContact O-CB 3.32Å; S88-A91 PolarHBondContact O-N 2.93Å; S88-A91 VanDerWaalsContact O-N 3.14Å; S88-L92 WeakPolarHBondContact O-CG 3.39Å; S88-L92 PolarHBondContact O-N 3.45Å; S88-S103 WeakPolarHBondContact CB-OG 3.36Å; S88-S103 PolarHBondContact N-OG 3.41Å
89	F	96.5	Very high	95.4	Very high	71 Å²	71	55.3 Å²	55.3	31%	0.311	28%	0.283	S	S	.	.	H	α-helix	trans	-60.3	-40.3	177.3	-78.7	-63.2	0	0	0	113.1	R38 N41 I42 V45 S85 L86 A91 P93	R38-F89 HydrophobicContact CG-CE1 4.18Å; N41-F89 HydrophobicContact CB-CD2 4.36Å; N41-F89 HydrophobicContact CB-CE1 3.87Å; N41-F89 HydrophobicContact CB-CE2 3.59Å; N41-F89 HydrophobicContact CB-CZ 3.3Å; I42-F89 HydrophobicContact CG1-CZ 4.26Å; V45-F89 HydrophobicContact CG2-CE2 4.26Å; S85-F89 WeakPolarHBondContact O-CD2 3.45Å; S85-F89 PolarHBondContact O-N 2.9Å; L86-F89 PolarHBondContact O-N 2.91Å; F89-A91 VanDerWaalsContact C-N 3.28Å; F89-A91 PolarHBondContact O-N 2.83Å; F89-P93 WeakPolarHBondContact O-CD 3.34Å
90	M	96.4	Very high	95.4	Very high	105 Å²	105	53.3 Å²	53.3	52%	0.517	27%	0.273	S	S	.	.	H	α-helix	trans	-68.1	-27	178.1	-67.4	178.8	-172	0	0	112.9	L86 F87 S88 Y99	L86-M90 WeakPolarHBondContact O-CG 3.4Å; L86-M90 PolarHBondContact O-N 3.41Å; F87-M90 PolarHBondContact O-N 3.03Å; S88-M90 VanDerWaalsContact C-N 3.34Å; S88-M90 PolarHBondContact O-N 3.27Å; M90-Y99 HydrophobicContact CB-CD2 3.9Å; M90-Y99 HydrophobicContact CB-CE2 4.3Å
91	A	95.6	Very high	95.3	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-72.5	-35.6	179.2	0	0	0	0	0	113.3	F87 S88 F89 N95 N96 L100 W173	F87-A91 WeakPolarHBondContact O-CB 3.28Å; F87-A91 PolarHBondContact O-N 3.07Å; S88-A91 WeakPolarHBondContact O-CB 3.32Å; S88-A91 PolarHBondContact O-N 2.93Å; S88-A91 VanDerWaalsContact O-N 3.14Å; F89-A91 VanDerWaalsContact C-N 3.28Å; F89-A91 PolarHBondContact O-N 2.83Å; A91-N95 WeakPolarHBondContact O-CA 3.41Å; A91-N95 PolarHBondContact O-N 2.92Å; A91-N95 VanDerWaalsContact O-N 3.1Å; A91-N96 PolarHBondContact O-N 3.36Å; A91-L100 HydrophobicContact CB-CB 3.99Å; A91-W173 HydrophobicContact CB-CH2 4.47Å
92	L	94	Very high	95.3	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-40.3	-169.1	-51.7	178.6	0	0	0	115.6	K34 I37 R38 S88 L169	K34-L92 HydrophobicContact CB-CD2 4.45Å; K34-L92 VanDerWaalsContact CE-O 3.32Å; K34-L92 WeakPolarHBondContact CE-O 3.48Å; K34-L92 HydrophobicContact CG-CD2 4.04Å; K34-L92 PolarHBondContact NZ-O 3.02Å; I37-L92 HydrophobicContact CG2-CD1 4.43Å; I37-L92 HydrophobicContact CG2-CD2 4.31Å; R38-L92 HydrophobicContact CB-CD1 4.29Å; S88-L92 WeakPolarHBondContact O-CG 3.39Å; S88-L92 PolarHBondContact O-N 3.45Å; L92-L169 HydrophobicContact CD2-CD2 3.93Å
93	P	92.6	Very high	95.4	Very high	97 Å²	97	53.6 Å²	53.6	63%	0.63	27%	0.274	S	S	*	.	H	α-helix	trans	-66.6	-41.1	-176.4	-24.2	34.4	0	0	0	113.3	F89	F89-P93 WeakPolarHBondContact O-CD 3.34Å
94	K	89.9	Confident	95.4	Very high	188 Å²	188	52.5 Å²	52.5	82%	0.817	27%	0.268	S	S	*	.	H	α-helix	trans	-105.8	6.9	-174.1	-65	-174.3	179.2	-179.4	0	114.2	N96	K94-N96 PolarHBondContact O-N 2.98Å
95	N	91.8	Very high	95.4	Very high	71 Å²	71	58.3 Å²	58.3	38%	0.38	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	42.1	-172.1	-58.3	-21.9	0	0	0	112.5	K34 A91 I97 W173	K34-N95 WeakPolarHBondContact CE-OD1 3.44Å; K34-N95 PolarHBondContact NZ-OD1 3.14Å; A91-N95 WeakPolarHBondContact O-CA 3.41Å; A91-N95 PolarHBondContact O-N 2.92Å; A91-N95 VanDerWaalsContact O-N 3.1Å; N95-I97 PolarHBondContact O-N 3.1Å; N95-W173 HydrophobicContact CB-CD2 3.99Å; N95-W173 HydrophobicContact CB-CE3 4.34Å; N95-W173 HydrophobicContact CB-CG 4.5Å; N95-W173 HydrophobicContact CB-CH2 4.34Å; N95-W173 HydrophobicContact CB-CZ2 3.96Å; N95-W173 HydrophobicContact CB-CZ3 4.49Å; N95-W173 WeakPolarHBondContact OD1-CZ2 3.07Å
96	N	94.7	Very high	95.5	Very high	49 Å²	49	59 Å²	59	26%	0.262	30%	0.303	S	S	.	.			trans	-76.5	101.4	-175.7	-171.3	-24.1	0	0	0	110.1	A91 K94 S98 Y99 L100	A91-N96 PolarHBondContact O-N 3.36Å; K94-N96 PolarHBondContact O-N 2.98Å; N96-S98 VanDerWaalsContact C-N 3.32Å; N96-S98 PolarHBondContact O-N 3.49Å; N96-S98 WeakPolarHBondContact OD1-CB 3.42Å; N96-S98 PolarHBondContact OD1-N 3.41Å; N96-Y99 HydrophobicContact CB-CD2 3.91Å; N96-Y99 HydrophobicContact CB-CG 4.21Å; N96-Y99 WeakPolarHBondContact ND2-CD2 3.44Å; N96-Y99 VanDerWaalsContact ND2-CE2 3.32Å; N96-Y99 WeakPolarHBondContact ND2-CE2 3.3Å; N96-Y99 PolarHBondContact O-N 3.49Å; N96-Y99 PolarHBondContact OD1-N 3.48Å; N96-L100 PolarHBondContact O-N 3.5Å; N96-L100 VanDerWaalsContact O-N 3.11Å
97	I	94.1	Very high	95.5	Very high	39 Å²	39	54.9 Å²	54.9	20%	0.2	28%	0.282	C	S	.	.	H	α-helix	trans	-56.2	-45.1	179.2	-67	176.2	0	0	0	111.1	N95 Y99 L100 V101 L170 W173 F174	N95-I97 PolarHBondContact O-N 3.1Å; I97-Y99 PolarHBondContact O-N 2.97Å; I97-L100 PolarHBondContact O-N 2.91Å; I97-V101 HydrophobicContact CG2-CG2 4.41Å; I97-V101 WeakPolarHBondContact O-CG2 3.35Å; I97-V101 PolarHBondContact O-N 2.66Å; I97-L170 HydrophobicContact CG2-CD1 3.78Å; I97-W173 HydrophobicContact CD1-CB 4.21Å; I97-W173 HydrophobicContact CG1-CB 4.07Å; I97-W173 HydrophobicContact CG1-CE3 4Å; I97-F174 HydrophobicContact CD1-CD1 4.15Å; I97-F174 HydrophobicContact CD1-CE1 4.18Å; I97-F174 HydrophobicContact CG2-CE1 3.84Å; I97-F174 HydrophobicContact CG2-CE2 3.8Å; I97-F174 HydrophobicContact CG2-CZ 3.36Å
98	S	95.1	Very high	95.3	Very high	77 Å²	77	53.6 Å²	53.6	54%	0.538	29%	0.285	S	S	.	.	H	α-helix	trans	-61.7	-43.6	-177.9	-57.5	0	0	0	0	111.8	N96 V101 I102	N96-S98 VanDerWaalsContact C-N 3.32Å; N96-S98 PolarHBondContact O-N 3.49Å; N96-S98 WeakPolarHBondContact OD1-CB 3.42Å; N96-S98 PolarHBondContact OD1-N 3.41Å; S98-V101 PolarHBondContact O-N 3.26Å; S98-I102 VanDerWaalsContact O-CG1 3.28Å; S98-I102 WeakPolarHBondContact O-CG1 3.36Å; S98-I102 PolarHBondContact O-N 3.44Å
99	Y	97.1	Very high	95.3	Very high	93 Å²	93	58.6 Å²	58.6	37%	0.365	31%	0.311	S	S	.	.	H	α-helix	trans	-67.2	-36.3	176.7	-68	-14.7	0	0	0	112.6	F87 M90 N96 I97 I102 S103	F87-Y99 HydrophobicContact CD1-CD1 4.14Å; F87-Y99 HydrophobicContact CD1-CG 4.36Å; F87-Y99 HydrophobicContact CE1-CD1 4.41Å; M90-Y99 HydrophobicContact CB-CD2 3.9Å; M90-Y99 HydrophobicContact CB-CE2 4.3Å; N96-Y99 HydrophobicContact CB-CD2 3.91Å; N96-Y99 HydrophobicContact CB-CG 4.21Å; N96-Y99 WeakPolarHBondContact ND2-CD2 3.44Å; N96-Y99 VanDerWaalsContact ND2-CE2 3.32Å; N96-Y99 WeakPolarHBondContact ND2-CE2 3.3Å; N96-Y99 PolarHBondContact O-N 3.49Å; N96-Y99 PolarHBondContact OD1-N 3.48Å; I97-Y99 PolarHBondContact O-N 2.97Å; Y99-I102 HydrophobicContact CD1-CD1 4.44Å; Y99-I102 PolarHBondContact O-N 2.73Å; Y99-S103 VanDerWaalsContact O-CB 3.27Å; Y99-S103 WeakPolarHBondContact O-CB 3.31Å; Y99-S103 PolarHBondContact O-N 3.38Å
100	L	96.4	Very high	95.4	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-65.2	-41.5	175.3	-172.5	61.9	0	0	0	111.5	A91 N96 I97 S103 M104 L169 L170 W173	A91-L100 HydrophobicContact CB-CB 3.99Å; N96-L100 PolarHBondContact O-N 3.5Å; N96-L100 VanDerWaalsContact O-N 3.11Å; I97-L100 PolarHBondContact O-N 2.91Å; L100-S103 WeakPolarHBondContact O-CB 3.39Å; L100-S103 PolarHBondContact O-N 3.48Å; L100-M104 HydrophobicContact CG-SD 4.43Å; L100-M104 VanDerWaalsContact O-CG 3.29Å; L100-M104 WeakPolarHBondContact O-CG 3.46Å; L100-M104 PolarHBondContact O-N 3.37Å; L100-L169 HydrophobicContact CD2-CB 4.29Å; L100-L169 HydrophobicContact CD2-CD2 4.2Å; L100-L169 HydrophobicContact CD2-CG 4.12Å; L100-L170 HydrophobicContact CD2-CB 3.89Å; L100-L170 HydrophobicContact CD2-CD1 4.1Å; L100-W173 HydrophobicContact CB-CZ3 3.91Å; L100-W173 HydrophobicContact CD2-CE3 3.78Å; L100-W173 HydrophobicContact CD2-CH2 4.09Å; L100-W173 HydrophobicContact CD2-CZ3 3.49Å; L100-W173 VanDerWaalsContact CD2-CZ3 3.49Å; L100-W173 HydrophobicContact CG-CZ3 4.28Å
101	V	96.7	Very high	95.4	Very high	48 Å²	48	52.7 Å²	52.7	29%	0.291	28%	0.283	S	S	.	.	H	α-helix	trans	-65.1	-46	176.1	173.2	0	0	0	0	111.4	I97 S98 S103 M104 I105 L170	I97-V101 HydrophobicContact CG2-CG2 4.41Å; I97-V101 WeakPolarHBondContact O-CG2 3.35Å; I97-V101 PolarHBondContact O-N 2.66Å; S98-V101 PolarHBondContact O-N 3.26Å; V101-S103 VanDerWaalsContact C-N 3.3Å; V101-S103 PolarHBondContact O-N 3.19Å; V101-M104 PolarHBondContact O-N 3.17Å; V101-I105 HydrophobicContact CG1-CD1 3.76Å; V101-I105 HydrophobicContact CG1-CG1 4.4Å; V101-I105 WeakPolarHBondContact O-CG1 3.32Å; V101-I105 PolarHBondContact O-N 3.27Å; V101-L170 HydrophobicContact CG2-CD1 3.72Å; V101-L170 HydrophobicContact CG2-CD2 3.88Å; V101-L170 HydrophobicContact CG2-CG 4.47Å
102	I	97.1	Very high	95.4	Very high	74 Å²	74	54.9 Å²	54.9	38%	0.379	29%	0.294	S	S	.	.	H	α-helix	trans	-58.2	-45.4	175.7	-70	165.5	0	0	0	110.1	F87 S98 Y99 M104 I105 S106	F87-I102 HydrophobicContact CD1-CG2 4.16Å; F87-I102 HydrophobicContact CD2-CG2 3.81Å; F87-I102 HydrophobicContact CE1-CG2 4.29Å; F87-I102 HydrophobicContact CE2-CG2 3.95Å; F87-I102 HydrophobicContact CG-CG2 3.93Å; F87-I102 HydrophobicContact CZ-CG2 4.19Å; S98-I102 VanDerWaalsContact O-CG1 3.28Å; S98-I102 WeakPolarHBondContact O-CG1 3.36Å; S98-I102 PolarHBondContact O-N 3.44Å; Y99-I102 HydrophobicContact CD1-CD1 4.44Å; Y99-I102 PolarHBondContact O-N 2.73Å; I102-M104 VanDerWaalsContact C-N 3.35Å; I102-M104 PolarHBondContact O-N 2.89Å; I102-I105 PolarHBondContact O-N 3.41Å; I102-S106 VanDerWaalsContact O-CB 3.3Å; I102-S106 WeakPolarHBondContact O-CB 3.38Å; I102-S106 PolarHBondContact O-N 3.46Å; I102-S106 PolarHBondContact O-OG 3.44Å
103	S	97.3	Very high	95.6	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.014	31%	0.311	C	S	.	.	H	α-helix	trans	-56.6	-46.2	175.6	177.6	0	0	0	0	111.9	P84 S88 Y99 L100 V101 S106 A107	P84-S103 WeakPolarHBondContact CB-O 3.3Å; P84-S103 WeakPolarHBondContact O-CB 3.39Å; P84-S103 PolarHBondContact O-OG 2.93Å; S88-S103 WeakPolarHBondContact CB-OG 3.36Å; S88-S103 PolarHBondContact N-OG 3.41Å; Y99-S103 VanDerWaalsContact O-CB 3.27Å; Y99-S103 WeakPolarHBondContact O-CB 3.31Å; Y99-S103 PolarHBondContact O-N 3.38Å; L100-S103 WeakPolarHBondContact O-CB 3.39Å; L100-S103 PolarHBondContact O-N 3.48Å; V101-S103 VanDerWaalsContact C-N 3.3Å; V101-S103 PolarHBondContact O-N 3.19Å; S103-S106 PolarHBondContact O-OG 2.95Å; S103-A107 WeakPolarHBondContact O-CB 3.49Å; S103-A107 PolarHBondContact O-N 2.63Å
104	M	96.9	Very high	95.8	Very high	34 Å²	34	52.6 Å²	52.6	17%	0.167	28%	0.283	C	S	.	.	H	α-helix	trans	-67.2	-44.4	-179.3	-70.8	175.1	67.4	0	0	113.2	L100 V101 I102 A107 G108 K167 L170	L100-M104 HydrophobicContact CG-SD 4.43Å; L100-M104 VanDerWaalsContact O-CG 3.29Å; L100-M104 WeakPolarHBondContact O-CG 3.46Å; L100-M104 PolarHBondContact O-N 3.37Å; V101-M104 PolarHBondContact O-N 3.17Å; I102-M104 VanDerWaalsContact C-N 3.35Å; I102-M104 PolarHBondContact O-N 2.89Å; M104-A107 PolarHBondContact O-N 2.82Å; M104-G108 PolarHBondContact O-N 2.86Å; M104-K167 HydrophobicContact CE-CB 3.7Å; M104-K167 HydrophobicContact CE-CD 3.96Å; M104-K167 HydrophobicContact CE-CG 4.4Å; M104-L170 HydrophobicContact SD-CD2 4.07Å
105	I	96.1	Very high	96.1	Very high	123 Å²	123	43.9 Å²	43.9	63%	0.631	25%	0.245	S	C	*	.	H	α-helix	trans	-65.3	-47.2	178.9	-65	170.3	0	0	0	109.9	V101 I102 A107 G108 L109	V101-I105 HydrophobicContact CG1-CD1 3.76Å; V101-I105 HydrophobicContact CG1-CG1 4.4Å; V101-I105 WeakPolarHBondContact O-CG1 3.32Å; V101-I105 PolarHBondContact O-N 3.27Å; I102-I105 PolarHBondContact O-N 3.41Å; I105-A107 VanDerWaalsContact C-N 3.29Å; I105-A107 PolarHBondContact O-N 3.46Å; I105-G108 PolarHBondContact O-N 3.38Å; I105-L109 PolarHBondContact O-N 3.02Å
106	S	96.8	Very high	96.4	Very high	15 Å²	15	45.6 Å²	45.6	11%	0.105	25%	0.253	C	S	.	.	H	α-helix	trans	-67.3	-27.3	178.1	57.9	0	0	0	0	112.9	P84 I102 S103 L109 F110	P84-S106 WeakPolarHBondContact CA-OG 3.28Å; P84-S106 WeakPolarHBondContact CB-OG 3.48Å; I102-S106 VanDerWaalsContact O-CB 3.3Å; I102-S106 WeakPolarHBondContact O-CB 3.38Å; I102-S106 PolarHBondContact O-N 3.46Å; I102-S106 PolarHBondContact O-OG 3.44Å; S103-S106 PolarHBondContact O-OG 2.95Å; S106-L109 PolarHBondContact O-N 3.4Å; S106-F110 WeakPolarHBondContact O-CB 3.38Å; S106-F110 PolarHBondContact O-N 3.09Å
107	A	96.6	Very high	96.5	Very high	2 Å²	2	48.8 Å²	48.8	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-66	-37.3	172.4	0	0	0	0	0	112.1	P84 S103 M104 I105 L109 C111 I112 I163	P84-A107 HydrophobicContact CB-CB 3.9Å; P84-A107 HydrophobicContact CG-CB 4.37Å; S103-A107 WeakPolarHBondContact O-CB 3.49Å; S103-A107 PolarHBondContact O-N 2.63Å; M104-A107 PolarHBondContact O-N 2.82Å; I105-A107 VanDerWaalsContact C-N 3.29Å; I105-A107 PolarHBondContact O-N 3.46Å; A107-L109 VanDerWaalsContact C-N 3.32Å; A107-L109 PolarHBondContact O-N 3.37Å; A107-C111 WeakPolarHBondContact O-CA 3.47Å; A107-C111 WeakPolarHBondContact O-CB 3.46Å; A107-C111 PolarHBondContact O-N 3.02Å; A107-I112 PolarHBondContact O-N 3.31Å; A107-I163 HydrophobicContact CB-CD1 4.46Å; A107-I163 HydrophobicContact CB-CG1 4.37Å
108	G	94.4	Very high	96.7	Very high	33 Å²	33	47 Å²	47	34%	0.34	25%	0.253	S	S	.	.	I	π-helix	trans	-58.3	-46	172.1	0	0	0	0	0	112	M104 I105 A113	M104-G108 PolarHBondContact O-N 2.86Å; I105-G108 PolarHBondContact O-N 3.38Å; G108-A113 PolarHBondContact O-N 2.99Å; G108-A113 VanDerWaalsContact O-N 3.09Å
109	L	96	Very high	96.7	Very high	106 Å²	106	44.3 Å²	44.3	56%	0.555	24%	0.238	S	C	*	.	I	π-helix	trans	-76.7	-44.9	-176.4	-176.6	62.3	0	0	0	113.9	I105 S106 A107 A113 P114	I105-L109 PolarHBondContact O-N 3.02Å; S106-L109 PolarHBondContact O-N 3.4Å; A107-L109 VanDerWaalsContact C-N 3.32Å; A107-L109 PolarHBondContact O-N 3.37Å; L109-A113 WeakPolarHBondContact O-CB 3.41Å; L109-P114 WeakPolarHBondContact O-CD 3.38Å
110	F	97.1	Very high	96.7	Very high	52 Å²	52	46.5 Å²	46.5	23%	0.228	25%	0.253	C	S	.	.	I	π-helix	trans	-103.2	-14.1	-170.5	-58.9	-48.9	0	0	0	114.3	L80 S81 I83 S106	L80-F110 HydrophobicContact CB-CB 4.09Å; L80-F110 HydrophobicContact CB-CD1 3.81Å; L80-F110 HydrophobicContact CB-CE1 4.39Å; L80-F110 HydrophobicContact CB-CG 3.92Å; L80-F110 HydrophobicContact CD1-CD1 3.96Å; L80-F110 HydrophobicContact CD1-CE1 3.88Å; S81-F110 WeakPolarHBondContact CB-O 3.1Å; I83-F110 HydrophobicContact CD1-CE2 4.37Å; S106-F110 WeakPolarHBondContact O-CB 3.38Å; S106-F110 PolarHBondContact O-N 3.09Å
111	C	96.8	Very high	96.7	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	I	π-helix	trans	-105.6	-57.6	174.1	-51.3	0	0	0	0	111.1	S81 P84 A107 L115 H159	S81-C111 VanDerWaalsContact CB-SG 3.53Å; P84-C111 WeakPolarHBondContact CG-SG 3.42Å; A107-C111 WeakPolarHBondContact O-CA 3.47Å; A107-C111 WeakPolarHBondContact O-CB 3.46Å; A107-C111 PolarHBondContact O-N 3.02Å; C111-L115 VanDerWaalsContact O-CD1 3.28Å; C111-L115 WeakPolarHBondContact O-CD1 3.48Å; C111-L115 WeakPolarHBondContact O-CG 3.45Å; C111-H159 HydrophobicContact CB-CB 4.46Å; C111-H159 WeakPolarHBondContact CB-ND1 3.42Å; C111-H159 PolarHBondContact SG-CE1 3.39Å
112	I	96.9	Very high	96.6	Very high	46 Å²	46	46.4 Å²	46.4	24%	0.236	25%	0.25	C	C	.	.	I	π-helix	trans	-73.9	-47.5	-171.7	-57.3	-60.2	0	0	0	111.8	A107 L115 I116 H159 I163	A107-I112 PolarHBondContact O-N 3.31Å; I112-L115 PolarHBondContact O-N 3.17Å; I112-I116 HydrophobicContact CG2-CD1 3.74Å; I112-I116 HydrophobicContact CG2-CG1 4.27Å; I112-I116 WeakPolarHBondContact O-CG1 3.37Å; I112-I116 PolarHBondContact O-N 3.43Å; I112-H159 HydrophobicContact CD1-CB 3.6Å; I112-I163 HydrophobicContact CD1-CD1 4.1Å; I112-I163 HydrophobicContact CG1-CD1 3.82Å
113	A	96.5	Very high	96.5	Very high	45 Å²	45	48.2 Å²	48.2	37%	0.372	26%	0.255	S	S	.	.	H	α-helix	trans	-61.1	-44.2	-176	0	0	0	0	0	113.7	G108 L109 L115 I116 Y117	G108-A113 PolarHBondContact O-N 2.99Å; G108-A113 VanDerWaalsContact O-N 3.09Å; L109-A113 WeakPolarHBondContact O-CB 3.41Å; A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 3.39Å; A113-I116 PolarHBondContact O-N 3.07Å; A113-Y117 PolarHBondContact O-N 3.27Å
114	P	97.6	Very high	96.4	Very high	7 Å²	7	51.3 Å²	51.3	5%	0.045	28%	0.275	C	S	.	.	H	α-helix	trans	-62.8	-35.7	175	-25.5	37	0	0	0	113	W74 P77 Y78 L109 Y117 G118	W74-P114 WeakPolarHBondContact CB-O 3.42Å; P77-P114 HydrophobicContact CB-CG 4.21Å; P77-P114 HydrophobicContact CG-CB 4.24Å; P77-P114 HydrophobicContact CG-CG 4.41Å; Y78-P114 HydrophobicContact CD2-CB 4.15Å; L109-P114 WeakPolarHBondContact O-CD 3.38Å; P114-Y117 PolarHBondContact O-N 3.46Å; P114-G118 PolarHBondContact O-N 3.31Å
115	L	97.3	Very high	96.3	Very high	5 Å²	5	51.5 Å²	51.5	3%	0.026	28%	0.278	C	S	.	.	H	α-helix	trans	-67.4	-40.2	177.5	-66.2	170.2	0	0	0	111.9	W74 Y78 C111 I112 A113 G118 G119 M152 A155 V156	W74-L115 HydrophobicContact CE3-CD2 4.35Å; W74-L115 HydrophobicContact CH2-CD2 4.32Å; W74-L115 HydrophobicContact CZ3-CD2 3.78Å; Y78-L115 HydrophobicContact CD2-CD2 4.1Å; Y78-L115 HydrophobicContact CD2-CG 4.05Å; Y78-L115 HydrophobicContact CE2-CD1 3.86Å; Y78-L115 HydrophobicContact CE2-CD2 3.74Å; Y78-L115 HydrophobicContact CE2-CG 3.7Å; C111-L115 VanDerWaalsContact O-CD1 3.28Å; C111-L115 WeakPolarHBondContact O-CD1 3.48Å; C111-L115 WeakPolarHBondContact O-CG 3.45Å; I112-L115 PolarHBondContact O-N 3.17Å; A113-L115 VanDerWaalsContact C-N 3.31Å; A113-L115 PolarHBondContact O-N 3.39Å; L115-G118 PolarHBondContact O-N 2.81Å; L115-G119 PolarHBondContact O-N 2.83Å; L115-M152 HydrophobicContact CD2-CE 4.42Å; L115-M152 HydrophobicContact CD2-CG 4.02Å; L115-M152 VanDerWaalsContact O-SD 3.42Å; L115-A155 HydrophobicContact CD1-CB 3.96Å; L115-A155 HydrophobicContact CD2-CB 3.93Å; L115-V156 HydrophobicContact CB-CG2 4.09Å; L115-V156 HydrophobicContact CD1-CG2 3.87Å; L115-V156 HydrophobicContact CG-CG2 4.49Å
116	I	97	Very high	96.2	Very high	107 Å²	107	46 Å²	46	55%	0.549	25%	0.251	S	S	.	.	H	α-helix	trans	-62.3	-49.4	174.2	-66.9	171.6	0	0	0	110.1	I112 A113 G118 G119 M120	I112-I116 HydrophobicContact CG2-CD1 3.74Å; I112-I116 HydrophobicContact CG2-CG1 4.27Å; I112-I116 WeakPolarHBondContact O-CG1 3.37Å; I112-I116 PolarHBondContact O-N 3.43Å; A113-I116 PolarHBondContact O-N 3.07Å; I116-G118 PolarHBondContact O-N 2.7Å; I116-G119 PolarHBondContact O-N 3.4Å; I116-M120 PolarHBondContact O-N 3.41Å
117	Y	97.4	Very high	96.1	Very high	117 Å²	117	48.6 Å²	48.6	46%	0.459	26%	0.261	S	S	.	.	H	α-helix	trans	-58.9	-46.9	178	170.3	-108	0	0	0	111.7	Q73 W74 A113 P114 G119 M120 E121	Q73-Y117 HydrophobicContact CB-CE1 4.01Å; W74-Y117 HydrophobicContact CB-CD1 3.68Å; W74-Y117 HydrophobicContact CB-CE1 4.13Å; A113-Y117 PolarHBondContact O-N 3.27Å; P114-Y117 PolarHBondContact O-N 3.46Å; Y117-G119 VanDerWaalsContact C-N 3.3Å; Y117-G119 PolarHBondContact O-N 2.98Å; Y117-M120 WeakPolarHBondContact O-CB 3.28Å; Y117-M120 PolarHBondContact O-N 2.98Å; Y117-M120 VanDerWaalsContact O-N 3.07Å; Y117-E121 HydrophobicContact CE1-CB 4.48Å; Y117-E121 PolarHBondContact O-N 2.94Å
118	G	97.1	Very high	95.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.3	-36.5	178.5	0	0	0	0	0	113.4	P114 L115 I116 M120 E121 M122	P114-G118 PolarHBondContact O-N 3.31Å; L115-G118 PolarHBondContact O-N 2.81Å; I116-G118 PolarHBondContact O-N 2.7Å; G118-M120 PolarHBondContact O-N 3.1Å; G118-E121 PolarHBondContact O-N 3.41Å; G118-M122 WeakPolarHBondContact O-CB 3.13Å; G118-M122 WeakPolarHBondContact O-CG 3.44Å; G118-M122 PolarHBondContact O-N 3.08Å
119	G	96	Very high	95.9	Very high	21 Å²	21	51.9 Å²	51.9	22%	0.216	27%	0.269	C	S	.	.	H	α-helix	trans	-60.8	-34.7	174.6	0	0	0	0	0	112.4	L115 I116 Y117 Y149 M152	L115-G119 PolarHBondContact O-N 2.83Å; I116-G119 PolarHBondContact O-N 3.4Å; Y117-G119 VanDerWaalsContact C-N 3.3Å; Y117-G119 PolarHBondContact O-N 2.98Å; G119-Y149 PolarHBondContact O-OH 3.36Å; G119-M152 VanDerWaalsContact CA-SD 3.59Å; G119-M152 PolarHBondContact N-SD 3.11Å
120	M	96.6	Very high	95.7	Very high	139 Å²	139	55 Å²	55	69%	0.685	27%	0.274	S	S	*	.	H	α-helix	trans	-79.4	-42	174.4	-61.7	177.2	65.8	0	0	112.1	I116 Y117 G118 M122 F123	I116-M120 PolarHBondContact O-N 3.41Å; Y117-M120 WeakPolarHBondContact O-CB 3.28Å; Y117-M120 PolarHBondContact O-N 2.98Å; Y117-M120 VanDerWaalsContact O-N 3.07Å; G118-M120 PolarHBondContact O-N 3.1Å; M120-M122 PolarHBondContact O-N 3.09Å; M120-F123 WeakPolarHBondContact O-CB 3.32Å; M120-F123 PolarHBondContact O-N 3.36Å
121	E	96.1	Very high	95.6	Very high	46 Å²	46	61.2 Å²	61.2	22%	0.215	30%	0.296	C	S	.	.	H	α-helix	trans	-59.1	-45.2	179.4	-173.2	-162.9	168.2	0	0	111.7	Q73 W74 Y117 G118 F123 P124	Q73-E121 WeakPolarHBondContact CB-OE1 3.31Å; Q73-E121 WeakPolarHBondContact CG-OE1 3.39Å; Q73-E121 PolarHBondContact N-OE1 3.33Å; Q73-E121 PolarHBondContact N-OE2 3.18Å; Q73-E121 VanDerWaalsContact N-OE2 3.14Å; W74-E121 VanDerWaalsContact CD1-OE2 3.31Å; W74-E121 PolarHBondContact N-OE2 3.45Å; Y117-E121 HydrophobicContact CE1-CB 4.48Å; Y117-E121 PolarHBondContact O-N 2.94Å; G118-E121 PolarHBondContact O-N 3.41Å; E121-F123 VanDerWaalsContact C-N 3.29Å; E121-F123 PolarHBondContact O-N 3.48Å; E121-P124 WeakPolarHBondContact O-CD 3.18Å
122	M	95.7	Very high	95.5	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-11	-177	-67.1	-169.8	-61.1	0	0	113.5	Y72 W74 G118 M120 V125 A126 V145 M148 Y149 M152	Y72-M122 HydrophobicContact CD1-CG 3.83Å; Y72-M122 HydrophobicContact CD1-SD 4.41Å; Y72-M122 HydrophobicContact CD2-CG 4.32Å; Y72-M122 HydrophobicContact CD2-SD 3.83Å; Y72-M122 HydrophobicContact CE1-CG 3.93Å; Y72-M122 HydrophobicContact CE1-SD 4.46Å; Y72-M122 HydrophobicContact CE2-CG 4.42Å; Y72-M122 HydrophobicContact CE2-SD 3.9Å; Y72-M122 HydrophobicContact CG-CG 4.04Å; Y72-M122 HydrophobicContact CG-SD 4.11Å; W74-M122 HydrophobicContact CZ2-CE 4.38Å; W74-M122 PolarHBondContact NE1-SD 2.95Å; G118-M122 WeakPolarHBondContact O-CB 3.13Å; G118-M122 WeakPolarHBondContact O-CG 3.44Å; G118-M122 PolarHBondContact O-N 3.08Å; M120-M122 PolarHBondContact O-N 3.09Å; M122-V125 PolarHBondContact O-N 3.01Å; M122-A126 PolarHBondContact O-N 2.61Å; M122-V145 HydrophobicContact CB-CG2 4.07Å; M122-M148 HydrophobicContact CE-CB 4.18Å; M122-M148 HydrophobicContact SD-CB 3.58Å; M122-M148 VanDerWaalsContact SD-CB 3.58Å; M122-Y149 HydrophobicContact CB-CD2 4.43Å; M122-Y149 HydrophobicContact CB-CE2 3.63Å; M122-Y149 HydrophobicContact CE-CD1 4.22Å; M122-Y149 HydrophobicContact CE-CD2 4.29Å; M122-Y149 HydrophobicContact CE-CE1 4.27Å; M122-Y149 HydrophobicContact CE-CE2 4.33Å; M122-Y149 HydrophobicContact CE-CG 4.23Å; M122-M152 HydrophobicContact CE-CE 3.33Å; M122-M152 HydrophobicContact CE-SD 3.9Å
123	F	95.6	Very high	95.2	Very high	113 Å²	113	68.4 Å²	68.4	50%	0.496	35%	0.346	S	S	.	.	H	α-helix	trans	-62.3	-45.6	-172.6	-177.5	-107.6	0	0	0	113.9	M120 E121 V125 A126 Q127 Y149	M120-F123 WeakPolarHBondContact O-CB 3.32Å; M120-F123 PolarHBondContact O-N 3.36Å; E121-F123 VanDerWaalsContact C-N 3.29Å; E121-F123 PolarHBondContact O-N 3.48Å; F123-V125 VanDerWaalsContact C-N 3.27Å; F123-V125 PolarHBondContact O-N 2.94Å; F123-A126 PolarHBondContact O-N 2.89Å; F123-Q127 HydrophobicContact CD1-CG 4.45Å; F123-Q127 HydrophobicContact CE1-CG 4.16Å; F123-Q127 HydrophobicContact CE2-CG 4.47Å; F123-Q127 HydrophobicContact CZ-CG 4.17Å; F123-Q127 VanDerWaalsContact CZ-NE2 3.26Å; F123-Q127 WeakPolarHBondContact O-CG 3.5Å; F123-Q127 PolarHBondContact O-N 3.3Å; F123-Y149 VanDerWaalsContact CA-OH 3.31Å; F123-Y149 WeakPolarHBondContact CA-OH 3.39Å; F123-Y149 PolarHBondContact N-OH 3.07Å
124	P	94.8	Very high	94.8	Very high	67 Å²	67	72.1 Å²	72.1	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-35.7	175.7	-22.1	34.5	0	0	0	112.6	E121 Q127 Q128	E121-P124 WeakPolarHBondContact O-CD 3.18Å; P124-Q127 PolarHBondContact O-N 3.03Å; P124-Q128 WeakPolarHBondContact O-CG 3.24Å; P124-Q128 PolarHBondContact O-N 3.06Å
125	V	94.1	Very high	94.4	Very high	37 Å²	37	73.2 Å²	73.2	22%	0.224	36%	0.364	C	S	.	.	H	α-helix	trans	-69.7	-40.4	178.5	-174.1	0	0	0	0	110.6	M122 F123 Q128 L129 V145	M122-V125 PolarHBondContact O-N 3.01Å; F123-V125 VanDerWaalsContact C-N 3.27Å; F123-V125 PolarHBondContact O-N 2.94Å; V125-Q128 PolarHBondContact O-N 2.67Å; V125-L129 PolarHBondContact O-N 3.36Å; V125-V145 HydrophobicContact CB-CG2 4.34Å; V125-V145 HydrophobicContact CG1-CB 4Å; V125-V145 HydrophobicContact CG1-CG1 4.06Å; V125-V145 HydrophobicContact CG1-CG2 4.36Å
126	A	94.1	Very high	93.9	Very high	9 Å²	9	79.9 Å²	79.9	7%	0.074	39%	0.389	C	S	.	.	H	α-helix	trans	-62.9	-42.4	172.3	0	0	0	0	0	111.7	M122 F123 Q128 L129 Y130 V145 Y149	M122-A126 PolarHBondContact O-N 2.61Å; F123-A126 PolarHBondContact O-N 2.89Å; A126-Q128 VanDerWaalsContact C-N 3.3Å; A126-Q128 PolarHBondContact O-N 3.33Å; A126-L129 WeakPolarHBondContact O-CB 3.35Å; A126-L129 PolarHBondContact O-N 2.86Å; A126-Y130 HydrophobicContact CB-CD2 4.19Å; A126-Y130 HydrophobicContact CB-CE2 4.18Å; A126-Y130 WeakPolarHBondContact O-CD2 3.27Å; A126-Y130 PolarHBondContact O-N 3.05Å; A126-V145 HydrophobicContact CB-CG2 3.91Å; A126-Y149 HydrophobicContact CB-CD2 4.41Å; A126-Y149 HydrophobicContact CB-CE2 3.72Å
127	Q	94.5	Very high	93.7	Very high	68 Å²	68	79.1 Å²	79.1	32%	0.318	38%	0.38	S	S	.	.	H	α-helix	trans	-58.9	-42.4	175.3	-73.7	-173.7	-24.8	0	0	112	F123 P124 L129 Y130 R131	F123-Q127 HydrophobicContact CD1-CG 4.45Å; F123-Q127 HydrophobicContact CE1-CG 4.16Å; F123-Q127 HydrophobicContact CE2-CG 4.47Å; F123-Q127 HydrophobicContact CZ-CG 4.17Å; F123-Q127 VanDerWaalsContact CZ-NE2 3.26Å; F123-Q127 WeakPolarHBondContact O-CG 3.5Å; F123-Q127 PolarHBondContact O-N 3.3Å; P124-Q127 PolarHBondContact O-N 3.03Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3.34Å; Q127-Y130 PolarHBondContact O-N 3.42Å; Q127-R131 VanDerWaalsContact O-CB 3.24Å; Q127-R131 WeakPolarHBondContact O-CB 3.41Å; Q127-R131 WeakPolarHBondContact O-CG 3.38Å; Q127-R131 PolarHBondContact O-N 3.31Å
128	Q	93.8	Very high	93.5	Very high	76 Å²	76	77.4 Å²	77.4	36%	0.355	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-40.9	176.2	-72.8	176.3	-7.1	0	0	112.3	P124 V125 A126 H132 G133 K134	P124-Q128 WeakPolarHBondContact O-CG 3.24Å; P124-Q128 PolarHBondContact O-N 3.06Å; V125-Q128 PolarHBondContact O-N 2.67Å; A126-Q128 VanDerWaalsContact C-N 3.3Å; A126-Q128 PolarHBondContact O-N 3.33Å; Q128-H132 WeakPolarHBondContact O-CA 3.3Å; Q128-H132 WeakPolarHBondContact O-CB 3.36Å; Q128-H132 PolarHBondContact O-N 3.33Å; Q128-G133 PolarHBondContact O-N 3.06Å; Q128-K134 PolarHBondContact O-N 2.95Å
129	L	94	Very high	93.2	Very high	29 Å²	29	78.1 Å²	78.1	15%	0.152	38%	0.378	C	S	.	.	H	α-helix	trans	-63.6	-53.3	176	-177.6	69	0	0	0	111.6	V125 A126 Q127 G133 K134 A135 S143 V145 S146	V125-L129 PolarHBondContact O-N 3.36Å; A126-L129 WeakPolarHBondContact O-CB 3.35Å; A126-L129 PolarHBondContact O-N 2.86Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3.34Å; L129-G133 WeakPolarHBondContact O-CA 3.38Å; L129-G133 PolarHBondContact O-N 3.41Å; L129-K134 WeakPolarHBondContact CA-O 3.45Å; L129-A135 HydrophobicContact CD1-CB 3.88Å; L129-S143 WeakPolarHBondContact CD2-OG 3.22Å; L129-V145 HydrophobicContact CB-CG1 4.38Å; L129-V145 HydrophobicContact CD2-CG1 3.76Å; L129-S146 WeakPolarHBondContact CD2-OG 3.12Å
130	Y	92	Very high	93.1	Very high	171 Å²	171	84.3 Å²	84.3	67%	0.671	40%	0.4	S	S	*	.	H	α-helix	trans	-77.1	-29.6	-171.7	-70.5	-64.6	0	0	0	113.9	A126 Q127	A126-Y130 HydrophobicContact CB-CD2 4.19Å; A126-Y130 HydrophobicContact CB-CE2 4.18Å; A126-Y130 WeakPolarHBondContact O-CD2 3.27Å; A126-Y130 PolarHBondContact O-N 3.05Å; Q127-Y130 PolarHBondContact O-N 3.42Å
131	R	94.6	Very high	92.7	Very high	182 Å²	182	80.7 Å²	80.7	69%	0.687	40%	0.398	S	S	*	.	H	α-helix	trans	-91.9	-34.3	179.5	-65.3	-175.1	173.9	179.4	-1.6	113.6	Q127	Q127-R131 VanDerWaalsContact O-CB 3.24Å; Q127-R131 WeakPolarHBondContact O-CB 3.41Å; Q127-R131 WeakPolarHBondContact O-CG 3.38Å; Q127-R131 PolarHBondContact O-N 3.31Å
132	H	93.5	Very high	92.6	Very high	132 Å²	132	85.4 Å²	85.4	61%	0.611	42%	0.418	S	S	*	.	H	α-helix	trans	-115.8	-5.5	-172.6	-55.4	-59	0	0	0	113.5	Q128 K134	Q128-H132 WeakPolarHBondContact O-CA 3.3Å; Q128-H132 WeakPolarHBondContact O-CB 3.36Å; Q128-H132 PolarHBondContact O-N 3.33Å; H132-K134 HydrophobicContact CB-CD 4.47Å; H132-K134 HydrophobicContact CB-CG 4.24Å; H132-K134 PolarHBondContact O-N 3.2Å
133	G	90.3	Very high	92.5	Very high	65 Å²	65	86.3 Å²	86.3	67%	0.67	42%	0.424	S	S	*	.			trans	67	16.7	-177.3	0	0	0	0	0	113.6	Q128 L129	Q128-G133 PolarHBondContact O-N 3.06Å; L129-G133 WeakPolarHBondContact O-CA 3.38Å; L129-G133 PolarHBondContact O-N 3.41Å
134	K	88.3	Confident	92.5	Very high	123 Å²	123	81 Å²	81	54%	0.535	40%	0.401	S	S	.	.			trans	-101	121.6	-175.3	-66	-174.5	-178.5	-178.7	0	110.9	Q128 L129 H132 Y136	Q128-K134 PolarHBondContact O-N 2.95Å; L129-K134 WeakPolarHBondContact CA-O 3.45Å; H132-K134 HydrophobicContact CB-CD 4.47Å; H132-K134 HydrophobicContact CB-CG 4.24Å; H132-K134 PolarHBondContact O-N 3.2Å; K134-Y136 HydrophobicContact CB-CE2 4.13Å
135	A	90.1	Very high	92.5	Very high	31 Å²	31	77.9 Å²	77.9	26%	0.256	38%	0.381	S	S	.	.			trans	-114	132.6	172.2	0	0	0	0	0	109.9	L129 F138	L129-A135 HydrophobicContact CD1-CB 3.88Å; A135-F138 HydrophobicContact CB-CE1 3.77Å; A135-F138 HydrophobicContact CB-CZ 3.67Å
136	Y	86.9	Confident	92.5	Very high	144 Å²	144	78.1 Å²	78.1	57%	0.565	38%	0.384	S	S	*	.			trans	-110.7	-14.9	-179.1	-59	-81	0	0	0	113.3	K134	K134-Y136 HydrophobicContact CB-CE2 4.13Å
137	R	92	Very high	92.6	Very high	92 Å²	92	79.9 Å²	79.9	35%	0.347	39%	0.394	S	S	.	.			trans	-130.6	135.5	-178	-67.2	-171.5	-169.9	-173.2	5.1	108.8	A69 A70 A144	A69-R137 HydrophobicContact CB-CB 3.68Å; A69-R137 HydrophobicContact CB-CG 4.17Å; A70-R137 PolarHBondContact O-NH1 2.94Å; R137-A144 HydrophobicContact CB-CB 3.66Å; R137-A144 WeakPolarHBondContact O-CB 3.47Å; R137-A144 PolarHBondContact O-N 3.11Å
138	F	92.8	Very high	92.7	Very high	80 Å²	80	76.8 Å²	76.8	35%	0.351	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.9	-176.9	-61	-86.4	0	0	0	111.6	A69 A135 F142	A69-F138 VanDerWaalsContact CB-O 3.26Å; A69-F138 WeakPolarHBondContact CB-O 3.47Å; A69-F138 PolarHBondContact N-O 3.35Å; A135-F138 HydrophobicContact CB-CE1 3.77Å; A135-F138 HydrophobicContact CB-CZ 3.67Å; F138-F142 CarbonylContact C-O 3.51Å; F138-F142 WeakPolarHBondContact CA-O 3.38Å
139	I	92.7	Very high	92.8	Very high	16 Å²	16	75.7 Å²	75.7	8%	0.082	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	113.3	170.4	-67.4	171.9	0	0	0	106.2	V67 G141 F142 A144 M148	V67-I139 WeakPolarHBondContact O-CA 3.43Å; I139-G141 PolarHBondContact O-N 3.37Å; I139-F142 PolarHBondContact N-O 2.97Å; I139-F142 PolarHBondContact O-N 2.95Å; I139-A144 HydrophobicContact CD1-CB 3.82Å; I139-A144 HydrophobicContact CG1-CB 3.77Å; I139-M148 HydrophobicContact CD1-CG 4.13Å; I139-M148 HydrophobicContact CD1-SD 3.97Å
140	F	92.1	Very high	92.9	Very high	151 Å²	151	79.7 Å²	79.7	66%	0.662	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	42.4	-178.2	-59.9	-66.7	0	0	0	113.6	V67 V68 F142	V67-F140 HydrophobicContact CG1-CD1 4.01Å; V67-F140 HydrophobicContact CG1-CE1 4.17Å; V67-F140 PolarHBondContact O-N 2.98Å; V68-F140 HydrophobicContact CG2-CZ 4.42Å; F140-F142 VanDerWaalsContact C-N 3.27Å; F140-F142 WeakPolarHBondContact O-CD2 3.17Å; F140-F142 PolarHBondContact O-N 3.18Å
141	G	89.3	Confident	93.1	Very high	63 Å²	63	73.3 Å²	73.3	65%	0.649	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-8.6	179.1	0	0	0	0	0	115.4	I139	I139-G141 PolarHBondContact O-N 3.37Å
142	F	93.1	Very high	93.2	Very high	145 Å²	145	65.1 Å²	65.1	64%	0.636	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	154.9	173.6	-64.4	-79.8	0	0	0	111.5	F138 I139 F140 A144 V147	F138-F142 CarbonylContact C-O 3.51Å; F138-F142 WeakPolarHBondContact CA-O 3.38Å; I139-F142 PolarHBondContact N-O 2.97Å; I139-F142 PolarHBondContact O-N 2.95Å; F140-F142 VanDerWaalsContact C-N 3.27Å; F140-F142 WeakPolarHBondContact O-CD2 3.17Å; F140-F142 PolarHBondContact O-N 3.18Å; F142-A144 PolarHBondContact O-N 3.26Å; F142-V147 HydrophobicContact CB-CG2 3.89Å
143	S	94.3	Very high	93.4	Very high	18 Å²	18	62.5 Å²	62.5	13%	0.126	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	120.2	173.3	-176.9	0	0	0	0	110.3	L129 V145 S146 V147	L129-S143 WeakPolarHBondContact CD2-OG 3.22Å; S143-V145 PolarHBondContact O-N 3.2Å; S143-V145 VanDerWaalsContact OG-CG1 3.32Å; S143-V145 WeakPolarHBondContact OG-CG1 3.41Å; S143-S146 PolarHBondContact O-N 3.45Å; S143-S146 VanDerWaalsContact O-N 3.1Å; S143-V147 PolarHBondContact O-N 3.2Å
144	A	94.5	Very high	93.8	Very high	1 Å²	1	63 Å²	63	1%	0.008	32%	0.321	C	S	.	.	H	α-helix	trans	-57.8	-40	-175.5	0	0	0	0	0	111.4	A69 Y72 R137 I139 F142 S146 V147 M148	A69-A144 HydrophobicContact CB-CB 4.29Å; Y72-A144 HydrophobicContact CE2-CB 4.37Å; R137-A144 HydrophobicContact CB-CB 3.66Å; R137-A144 WeakPolarHBondContact O-CB 3.47Å; R137-A144 PolarHBondContact O-N 3.11Å; I139-A144 HydrophobicContact CD1-CB 3.82Å; I139-A144 HydrophobicContact CG1-CB 3.77Å; F142-A144 PolarHBondContact O-N 3.26Å; A144-S146 VanDerWaalsContact C-N 3.29Å; A144-S146 PolarHBondContact O-N 2.94Å; A144-V147 PolarHBondContact O-N 3.43Å; A144-M148 WeakPolarHBondContact O-CB 3.39Å; A144-M148 VanDerWaalsContact O-CG 3.25Å; A144-M148 WeakPolarHBondContact O-CG 3.5Å; A144-M148 PolarHBondContact O-N 3.47Å
145	V	95.5	Very high	94.2	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.012	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-37.4	-180	61.8	0	0	0	0	112.1	Y72 M122 V125 A126 L129 S143 Y149	Y72-V145 PolarHBondContact OH-N 2.96Å; M122-V145 HydrophobicContact CB-CG2 4.07Å; V125-V145 HydrophobicContact CB-CG2 4.34Å; V125-V145 HydrophobicContact CG1-CB 4Å; V125-V145 HydrophobicContact CG1-CG1 4.06Å; V125-V145 HydrophobicContact CG1-CG2 4.36Å; A126-V145 HydrophobicContact CB-CG2 3.91Å; L129-V145 HydrophobicContact CB-CG1 4.38Å; L129-V145 HydrophobicContact CD2-CG1 3.76Å; S143-V145 PolarHBondContact O-N 3.2Å; S143-V145 VanDerWaalsContact OG-CG1 3.32Å; S143-V145 WeakPolarHBondContact OG-CG1 3.41Å; V145-Y149 HydrophobicContact CG2-CD2 3.65Å; V145-Y149 HydrophobicContact CG2-CE2 3.65Å; V145-Y149 VanDerWaalsContact O-CD2 3.3Å; V145-Y149 WeakPolarHBondContact O-CD2 3.28Å; V145-Y149 PolarHBondContact O-N 3.25Å
146	S	94.7	Very high	94.6	Very high	42 Å²	42	59 Å²	59	29%	0.294	30%	0.304	S	S	.	.	H	α-helix	trans	-68.9	-43.8	178.2	-58.3	0	0	0	0	111.7	L129 S143 A144 L150	L129-S146 WeakPolarHBondContact CD2-OG 3.12Å; S143-S146 PolarHBondContact O-N 3.45Å; S143-S146 VanDerWaalsContact O-N 3.1Å; A144-S146 VanDerWaalsContact C-N 3.29Å; A144-S146 PolarHBondContact O-N 2.94Å; S146-L150 PolarHBondContact O-N 3.02Å
147	V	95.8	Very high	95.1	Very high	46 Å²	46	57.6 Å²	57.6	28%	0.279	30%	0.302	S	S	.	.	H	α-helix	trans	-62.2	-46.4	176.5	177.8	0	0	0	0	110.3	F142 S143 A144 L150 V151	F142-V147 HydrophobicContact CB-CG2 3.89Å; S143-V147 PolarHBondContact O-N 3.2Å; A144-V147 PolarHBondContact O-N 3.43Å; V147-L150 WeakPolarHBondContact O-CB 3.35Å; V147-L150 PolarHBondContact O-N 3.49Å; V147-V151 WeakPolarHBondContact O-CG2 3.38Å; V147-V151 PolarHBondContact O-N 2.97Å
148	M	96	Very high	95.4	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.015	29%	0.289	C	S	.	.	H	α-helix	trans	-70.5	-34.1	-176.9	-65.6	-50.6	-70.6	0	0	113.1	Y72 W74 E75 M122 I139 A144 L150 V151 M152	Y72-M148 HydrophobicContact CD2-CB 4.45Å; Y72-M148 HydrophobicContact CD2-CG 4Å; Y72-M148 HydrophobicContact CE2-CB 4.29Å; Y72-M148 HydrophobicContact CE2-CG 3.86Å; W74-M148 HydrophobicContact CH2-CE 3.83Å; W74-M148 HydrophobicContact CZ2-CB 4.44Å; W74-M148 HydrophobicContact CZ2-CE 3.37Å; E75-M148 VanDerWaalsContact CD-CE 3.41Å; E75-M148 HydrophobicContact CG-CE 3.83Å; E75-M148 WeakPolarHBondContact OE1-CE 3.16Å; M122-M148 HydrophobicContact CE-CB 4.18Å; M122-M148 HydrophobicContact SD-CB 3.58Å; M122-M148 VanDerWaalsContact SD-CB 3.58Å; I139-M148 HydrophobicContact CD1-CG 4.13Å; I139-M148 HydrophobicContact CD1-SD 3.97Å; A144-M148 WeakPolarHBondContact O-CB 3.39Å; A144-M148 VanDerWaalsContact O-CG 3.25Å; A144-M148 WeakPolarHBondContact O-CG 3.5Å; A144-M148 PolarHBondContact O-N 3.47Å; M148-L150 VanDerWaalsContact C-N 3.34Å; M148-V151 PolarHBondContact O-N 2.88Å; M148-M152 VanDerWaalsContact O-CB 3.26Å; M148-M152 WeakPolarHBondContact O-CB 3Å; M148-M152 PolarHBondContact O-N 3.32Å
149	Y	96.2	Very high	95.6	Very high	54 Å²	54	50 Å²	50	21%	0.212	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-38.4	170.7	-93.5	-65.6	0	0	0	112.4	G119 M122 F123 A126 V145 M152 V153	G119-Y149 PolarHBondContact O-OH 3.36Å; M122-Y149 HydrophobicContact CB-CD2 4.43Å; M122-Y149 HydrophobicContact CB-CE2 3.63Å; M122-Y149 HydrophobicContact CE-CD1 4.22Å; M122-Y149 HydrophobicContact CE-CD2 4.29Å; M122-Y149 HydrophobicContact CE-CE1 4.27Å; M122-Y149 HydrophobicContact CE-CE2 4.33Å; M122-Y149 HydrophobicContact CE-CG 4.23Å; F123-Y149 VanDerWaalsContact CA-OH 3.31Å; F123-Y149 WeakPolarHBondContact CA-OH 3.39Å; F123-Y149 PolarHBondContact N-OH 3.07Å; A126-Y149 HydrophobicContact CB-CD2 4.41Å; A126-Y149 HydrophobicContact CB-CE2 3.72Å; V145-Y149 HydrophobicContact CG2-CD2 3.65Å; V145-Y149 HydrophobicContact CG2-CE2 3.65Å; V145-Y149 VanDerWaalsContact O-CD2 3.3Å; V145-Y149 WeakPolarHBondContact O-CD2 3.28Å; V145-Y149 PolarHBondContact O-N 3.25Å; Y149-M152 HydrophobicContact CD1-SD 4.34Å; Y149-M152 HydrophobicContact CE1-SD 4.39Å; Y149-M152 WeakPolarHBondContact O-CB 3.47Å; Y149-M152 PolarHBondContact O-N 3.32Å; Y149-V153 WeakPolarHBondContact O-CG2 3.28Å; Y149-V153 PolarHBondContact O-N 3.48Å
150	L	96.7	Very high	95.8	Very high	113 Å²	113	51 Å²	51	59%	0.592	29%	0.288	S	S	*	.	H	α-helix	trans	-62.6	-48.1	175.5	179.4	64.7	0	0	0	111.1	S146 V147 M148 M152 V153 I154	S146-L150 PolarHBondContact O-N 3.02Å; V147-L150 WeakPolarHBondContact O-CB 3.35Å; V147-L150 PolarHBondContact O-N 3.49Å; M148-L150 VanDerWaalsContact C-N 3.34Å; L150-M152 VanDerWaalsContact C-N 3.27Å; L150-M152 PolarHBondContact O-N 3.32Å; L150-V153 PolarHBondContact O-N 3.46Å; L150-I154 HydrophobicContact CD1-CD1 4.37Å; L150-I154 HydrophobicContact CG-CD1 4.21Å; L150-I154 WeakPolarHBondContact O-CG1 3.29Å; L150-I154 PolarHBondContact O-N 2.96Å; L150-I154 VanDerWaalsContact O-N 3.11Å
151	V	96.7	Very high	96.1	Very high	36 Å²	36	49.8 Å²	49.8	22%	0.218	28%	0.279	C	S	.	.	H	α-helix	trans	-56.4	-44.3	174.3	168.9	0	0	0	0	110.9	I47 L51 V147 M148 I154 A155	I47-V151 HydrophobicContact CG2-CG1 4.3Å; L51-V151 HydrophobicContact CD1-CG1 3.9Å; V147-V151 WeakPolarHBondContact O-CG2 3.38Å; V147-V151 PolarHBondContact O-N 2.97Å; M148-V151 PolarHBondContact O-N 2.88Å; V151-I154 PolarHBondContact O-N 2.75Å; V151-A155 VanDerWaalsContact O-CB 3.31Å; V151-A155 WeakPolarHBondContact O-CB 3.38Å; V151-A155 PolarHBondContact O-N 3.43Å
152	M	96.8	Very high	96.5	Very high	11 Å²	11	47 Å²	47	5%	0.054	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-45.1	179.4	-179.2	170.7	-71.1	0	0	112.4	W74 L115 G119 M122 M148 Y149 L150 I154 A155 V156	W74-M152 HydrophobicContact CD2-CE 3.94Å; W74-M152 HydrophobicContact CE3-CE 4.31Å; W74-M152 HydrophobicContact CG-CE 4.46Å; W74-M152 HydrophobicContact CH2-CE 4.18Å; W74-M152 HydrophobicContact CZ2-CE 3.77Å; W74-M152 HydrophobicContact CZ3-CE 4.43Å; L115-M152 HydrophobicContact CD2-CE 4.42Å; L115-M152 HydrophobicContact CD2-CG 4.02Å; L115-M152 VanDerWaalsContact O-SD 3.42Å; G119-M152 VanDerWaalsContact CA-SD 3.59Å; G119-M152 PolarHBondContact N-SD 3.11Å; M122-M152 HydrophobicContact CE-CE 3.33Å; M122-M152 HydrophobicContact CE-SD 3.9Å; M148-M152 VanDerWaalsContact O-CB 3.26Å; M148-M152 WeakPolarHBondContact O-CB 3Å; M148-M152 PolarHBondContact O-N 3.32Å; Y149-M152 HydrophobicContact CD1-SD 4.34Å; Y149-M152 HydrophobicContact CE1-SD 4.39Å; Y149-M152 WeakPolarHBondContact O-CB 3.47Å; Y149-M152 PolarHBondContact O-N 3.32Å; L150-M152 VanDerWaalsContact C-N 3.27Å; L150-M152 PolarHBondContact O-N 3.32Å; M152-I154 VanDerWaalsContact C-N 3.34Å; M152-I154 PolarHBondContact O-N 3.26Å; M152-A155 PolarHBondContact O-N 3.47Å; M152-V156 HydrophobicContact CG-CG2 4.44Å; M152-V156 WeakPolarHBondContact O-CB 3.43Å; M152-V156 VanDerWaalsContact O-CG2 3.28Å; M152-V156 WeakPolarHBondContact O-CG2 3.3Å; M152-V156 PolarHBondContact O-N 2.86Å
153	V	97.3	Very high	96.6	Very high	77 Å²	77	42.6 Å²	42.6	47%	0.467	23%	0.231	S	C	.	.	H	α-helix	trans	-61.3	-44.6	177.7	170.1	0	0	0	0	110.8	Y149 L150 V156 Q157	Y149-V153 WeakPolarHBondContact O-CG2 3.28Å; Y149-V153 PolarHBondContact O-N 3.48Å; L150-V153 PolarHBondContact O-N 3.46Å; V153-V156 PolarHBondContact O-N 3Å; V153-Q157 WeakPolarHBondContact O-CG 3.47Å; V153-Q157 PolarHBondContact O-N 3.33Å; V153-Q157 VanDerWaalsContact O-N 3.07Å
154	I	97.8	Very high	96.8	Very high	74 Å²	74	46.6 Å²	46.6	38%	0.379	24%	0.244	S	C	.	.	H	α-helix	trans	-61.5	-47.7	176.3	-65.2	167.5	0	0	0	110.1	I47 L150 V151 M152 V156 Q157 V158	I47-I154 HydrophobicContact CD1-CG2 3.95Å; L150-I154 HydrophobicContact CD1-CD1 4.37Å; L150-I154 HydrophobicContact CG-CD1 4.21Å; L150-I154 WeakPolarHBondContact O-CG1 3.29Å; L150-I154 PolarHBondContact O-N 2.96Å; L150-I154 VanDerWaalsContact O-N 3.11Å; V151-I154 PolarHBondContact O-N 2.75Å; M152-I154 VanDerWaalsContact C-N 3.34Å; M152-I154 PolarHBondContact O-N 3.26Å; I154-V156 PolarHBondContact O-N 2.97Å; I154-Q157 PolarHBondContact O-N 3.4Å; I154-V158 HydrophobicContact CG2-CG2 4.39Å; I154-V158 WeakPolarHBondContact O-CG2 3.34Å; I154-V158 PolarHBondContact O-N 2.94Å
155	A	97.6	Very high	96.9	Very high	1 Å²	1	49 Å²	49	1%	0.008	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-44.6	178.8	0	0	0	0	0	112.1	Y78 L115 V151 M152 Q157 V158 H159	Y78-A155 WeakPolarHBondContact OH-CB 3.45Å; L115-A155 HydrophobicContact CD1-CB 3.96Å; L115-A155 HydrophobicContact CD2-CB 3.93Å; V151-A155 VanDerWaalsContact O-CB 3.31Å; V151-A155 WeakPolarHBondContact O-CB 3.38Å; V151-A155 PolarHBondContact O-N 3.43Å; M152-A155 PolarHBondContact O-N 3.47Å; A155-Q157 VanDerWaalsContact C-N 3.31Å; A155-Q157 PolarHBondContact O-N 3.31Å; A155-V158 PolarHBondContact O-N 2.89Å; A155-H159 WeakPolarHBondContact O-CB 3.48Å; A155-H159 PolarHBondContact O-CD2 3.29Å; A155-H159 PolarHBondContact O-N 3.43Å
156	V	97.3	Very high	96.9	Very high	69 Å²	69	49 Å²	49	42%	0.418	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-43	176.3	168.4	0	0	0	0	110.9	L115 M152 V153 I154 G160	L115-V156 HydrophobicContact CB-CG2 4.09Å; L115-V156 HydrophobicContact CD1-CG2 3.87Å; L115-V156 HydrophobicContact CG-CG2 4.49Å; M152-V156 HydrophobicContact CG-CG2 4.44Å; M152-V156 WeakPolarHBondContact O-CB 3.43Å; M152-V156 VanDerWaalsContact O-CG2 3.28Å; M152-V156 WeakPolarHBondContact O-CG2 3.3Å; M152-V156 PolarHBondContact O-N 2.86Å; V153-V156 PolarHBondContact O-N 3Å; I154-V156 PolarHBondContact O-N 2.97Å; V156-G160 PolarHBondContact O-N 3.09Å
157	Q	97.9	Very high	97	Very high	115 Å²	115	51.5 Å²	51.5	54%	0.537	26%	0.259	S	S	.	.	H	α-helix	trans	-64.1	-46.1	176.8	-69.9	178.1	16.5	0	0	111.8	V153 I154 A155 H159 G160 W161	V153-Q157 WeakPolarHBondContact O-CG 3.47Å; V153-Q157 PolarHBondContact O-N 3.33Å; V153-Q157 VanDerWaalsContact O-N 3.07Å; I154-Q157 PolarHBondContact O-N 3.4Å; A155-Q157 VanDerWaalsContact C-N 3.31Å; A155-Q157 PolarHBondContact O-N 3.31Å; Q157-H159 PolarHBondContact O-N 3.43Å; Q157-G160 PolarHBondContact O-N 2.95Å; Q157-W161 PolarHBondContact O-N 2.99Å
158	V	98	Very high	97	Very high	11 Å²	11	53.8 Å²	53.8	7%	0.067	27%	0.265	C	S	.	.	H	α-helix	trans	-57.8	-50.6	178	171.5	0	0	0	0	110.5	L40 V43 H44 I47 I154 A155 W161 Q162	L40-V158 HydrophobicContact CB-CG1 4.45Å; L40-V158 HydrophobicContact CD2-CG1 4.33Å; V43-V158 HydrophobicContact CG1-CG2 3.77Å; H44-V158 HydrophobicContact CB-CG1 4.1Å; I47-V158 HydrophobicContact CD1-CG2 4.33Å; I154-V158 HydrophobicContact CG2-CG2 4.39Å; I154-V158 WeakPolarHBondContact O-CG2 3.34Å; I154-V158 PolarHBondContact O-N 2.94Å; A155-V158 PolarHBondContact O-N 2.89Å; V158-W161 PolarHBondContact O-N 3.29Å; V158-Q162 VanDerWaalsContact O-CB 3.3Å; V158-Q162 WeakPolarHBondContact O-CB 3.26Å; V158-Q162 PolarHBondContact O-N 2.92Å
159	H	97.7	Very high	96.9	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-67.1	-37.9	-179.5	-72.3	-55.5	0	0	0	112.7	H44 Y78 C111 I112 A155 Q157 Q162 I163	H44-H159 AromaticContact CE1-CE1 3.4Å; H44-H159 PolarHBondContact CE1-CE1 3.23Å; H44-H159 AromaticContact CE1-NE2 3.41Å; H44-H159 PolarHBondContact CE1-NE2 3.5Å; H44-H159 AromaticContact CG-CE1 3.69Å; H44-H159 AromaticContact ND1-CE1 3.09Å; H44-H159 PolarHBondContact ND1-CE1 3.22Å; H44-H159 AromaticContact ND1-NE2 3.1Å; H44-H159 PolarHBondContact ND1-NE2 3.03Å; H44-H159 VanDerWaalsContact ND1-NE2 3.1Å; Y78-H159 AromaticContact CE2-NE2 3.96Å; Y78-H159 AromaticContact CZ-NE2 3.81Å; Y78-H159 PolarHBondContact OH-NE2 3.19Å; C111-H159 HydrophobicContact CB-CB 4.46Å; C111-H159 WeakPolarHBondContact CB-ND1 3.42Å; C111-H159 PolarHBondContact SG-CE1 3.39Å; I112-H159 HydrophobicContact CD1-CB 3.6Å; A155-H159 WeakPolarHBondContact O-CB 3.48Å; A155-H159 PolarHBondContact O-CD2 3.29Å; A155-H159 PolarHBondContact O-N 3.43Å; Q157-H159 PolarHBondContact O-N 3.43Å; H159-Q162 PolarHBondContact O-N 3.07Å; H159-I163 WeakPolarHBondContact O-CG1 3.25Å; H159-I163 PolarHBondContact O-N 3.3Å
160	G	97.1	Very high	96.9	Very high	39 Å²	39	51.8 Å²	51.8	40%	0.402	26%	0.258	S	S	.	.	H	α-helix	trans	-59.1	-48.6	175.4	0	0	0	0	0	112.1	V156 Q157 Y164	V156-G160 PolarHBondContact O-N 3.09Å; Q157-G160 PolarHBondContact O-N 2.95Å; G160-Y164 WeakPolarHBondContact O-CB 3.27Å; G160-Y164 PolarHBondContact O-N 2.88Å
161	W	97.9	Very high	96.7	Very high	125 Å²	125	49.7 Å²	49.7	47%	0.473	25%	0.248	S	C	.	.	H	α-helix	trans	-67.2	-38.4	175.8	-74.8	115.6	0	0	0	112.6	L40 Q157 V158 I163 Y164 Y165	L40-W161 HydrophobicContact CD1-CB 3.69Å; L40-W161 HydrophobicContact CD2-CB 4.25Å; Q157-W161 PolarHBondContact O-N 2.99Å; V158-W161 PolarHBondContact O-N 3.29Å; W161-I163 PolarHBondContact O-N 3.4Å; W161-Y164 AromaticContact CE3-CD1 3.71Å; W161-Y164 HydrophobicContact CE3-CD1 3.71Å; W161-Y164 HydrophobicContact CE3-CE1 4.16Å; W161-Y164 HydrophobicContact CE3-CG 4.46Å; W161-Y164 AromaticContact CZ3-CD1 3.76Å; W161-Y164 HydrophobicContact CZ3-CD1 3.76Å; W161-Y164 AromaticContact CZ3-CE1 3.75Å; W161-Y164 HydrophobicContact CZ3-CE1 3.75Å; W161-Y164 PolarHBondContact O-N 2.74Å; W161-Y165 HydrophobicContact CB-CD2 4.24Å; W161-Y165 HydrophobicContact CB-CE2 4Å; W161-Y165 HydrophobicContact CD2-CE2 4.29Å; W161-Y165 HydrophobicContact CE3-CE1 4.26Å; W161-Y165 AromaticContact CE3-CE2 3.76Å; W161-Y165 HydrophobicContact CE3-CE2 3.76Å; W161-Y165 AromaticContact CE3-CZ 3.6Å; W161-Y165 HydrophobicContact CG-CE2 4.43Å; W161-Y165 HydrophobicContact CZ3-CE1 4.46Å; W161-Y165 WeakPolarHBondContact O-CB 3.34Å; W161-Y165 WeakPolarHBondContact O-CD2 3.45Å; W161-Y165 PolarHBondContact O-N 3.47Å
162	Q	97.1	Very high	96.4	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.014	24%	0.243	C	C	.	.	H	α-helix	trans	-61.6	-45.2	178.8	-174	177.1	-24.4	0	0	111.3	L40 N41 V158 H159 S166	L40-Q162 HydrophobicContact CD1-CB 4.43Å; N41-Q162 PolarHBondContact OD1-NE2 3.29Å; N41-Q162 VanDerWaalsContact OD1-NE2 3.08Å; V158-Q162 VanDerWaalsContact O-CB 3.3Å; V158-Q162 WeakPolarHBondContact O-CB 3.26Å; V158-Q162 PolarHBondContact O-N 2.92Å; H159-Q162 PolarHBondContact O-N 3.07Å; Q162-S166 WeakPolarHBondContact O-CB 3.49Å; Q162-S166 PolarHBondContact O-N 3.02Å; Q162-S166 PolarHBondContact O-OG 3.19Å
163	I	96.4	Very high	96.1	Very high	54 Å²	54	48.7 Å²	48.7	28%	0.277	24%	0.243	S	C	.	.	H	α-helix	trans	-65.7	-44.9	176.8	-68.2	168.6	0	0	0	110.6	A107 I112 H159 W161 S166 K167	A107-I163 HydrophobicContact CB-CD1 4.46Å; A107-I163 HydrophobicContact CB-CG1 4.37Å; I112-I163 HydrophobicContact CD1-CD1 4.1Å; I112-I163 HydrophobicContact CG1-CD1 3.82Å; H159-I163 WeakPolarHBondContact O-CG1 3.25Å; H159-I163 PolarHBondContact O-N 3.3Å; W161-I163 PolarHBondContact O-N 3.4Å; I163-S166 PolarHBondContact O-N 3.42Å; I163-K167 WeakPolarHBondContact O-CB 3.19Å; I163-K167 PolarHBondContact O-N 3.11Å
164	Y	97.3	Very high	95.7	Very high	101 Å²	101	49.3 Å²	49.3	40%	0.396	24%	0.239	S	C	.	.	H	α-helix	trans	-59.3	-51	179	170	-103.5	0	0	0	112.5	G160 W161 K167 K168	G160-Y164 WeakPolarHBondContact O-CB 3.27Å; G160-Y164 PolarHBondContact O-N 2.88Å; W161-Y164 AromaticContact CE3-CD1 3.71Å; W161-Y164 HydrophobicContact CE3-CD1 3.71Å; W161-Y164 HydrophobicContact CE3-CE1 4.16Å; W161-Y164 HydrophobicContact CE3-CG 4.46Å; W161-Y164 AromaticContact CZ3-CD1 3.76Å; W161-Y164 HydrophobicContact CZ3-CD1 3.76Å; W161-Y164 AromaticContact CZ3-CE1 3.75Å; W161-Y164 HydrophobicContact CZ3-CE1 3.75Å; W161-Y164 PolarHBondContact O-N 2.74Å; Y164-K167 PolarHBondContact O-N 3.37Å; Y164-K168 HydrophobicContact CE1-CD 4.04Å; Y164-K168 HydrophobicContact CE2-CD 4.26Å; Y164-K168 PolarHBondContact O-N 2.93Å; Y164-K168 VanDerWaalsContact O-N 3.11Å; Y164-K168 WeakPolarHBondContact OH-CE 3.32Å; Y164-K168 PolarHBondContact OH-NZ 3.09Å
165	Y	97.4	Very high	95	Very high	51 Å²	51	48.5 Å²	48.5	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-68	-36.5	178.9	-66.3	-48.5	0	0	0	112.1	L33 E36 L40 W161 K167 K168 L169	L33-Y165 HydrophobicContact CD2-CD1 3.63Å; L33-Y165 HydrophobicContact CD2-CE1 4.44Å; L33-Y165 HydrophobicContact CD2-CG 4.3Å; E36-Y165 HydrophobicContact CB-CD2 4Å; E36-Y165 HydrophobicContact CB-CE2 4.09Å; E36-Y165 HydrophobicContact CB-CG 4.39Å; L40-Y165 HydrophobicContact CD1-CD2 3.61Å; L40-Y165 HydrophobicContact CD1-CE2 3.91Å; W161-Y165 HydrophobicContact CB-CD2 4.24Å; W161-Y165 HydrophobicContact CB-CE2 4Å; W161-Y165 HydrophobicContact CD2-CE2 4.29Å; W161-Y165 HydrophobicContact CE3-CE1 4.26Å; W161-Y165 AromaticContact CE3-CE2 3.76Å; W161-Y165 HydrophobicContact CE3-CE2 3.76Å; W161-Y165 AromaticContact CE3-CZ 3.6Å; W161-Y165 HydrophobicContact CG-CE2 4.43Å; W161-Y165 HydrophobicContact CZ3-CE1 4.46Å; W161-Y165 WeakPolarHBondContact O-CB 3.34Å; W161-Y165 WeakPolarHBondContact O-CD2 3.45Å; W161-Y165 PolarHBondContact O-N 3.47Å; Y165-K167 VanDerWaalsContact C-N 3.33Å; Y165-K167 PolarHBondContact O-N 3.23Å; Y165-K168 PolarHBondContact O-N 3Å; Y165-L169 WeakPolarHBondContact O-CB 3.41Å; Y165-L169 PolarHBondContact O-N 2.74Å
166	S	96.1	Very high	94.3	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.014	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-40.9	175	-62.6	0	0	0	0	111.5	Q162 I163 L169 L170	Q162-S166 WeakPolarHBondContact O-CB 3.49Å; Q162-S166 PolarHBondContact O-N 3.02Å; Q162-S166 PolarHBondContact O-OG 3.19Å; I163-S166 PolarHBondContact O-N 3.42Å; S166-L169 PolarHBondContact O-N 2.61Å; S166-L170 VanDerWaalsContact O-CB 3.27Å; S166-L170 WeakPolarHBondContact O-CB 3.44Å; S166-L170 PolarHBondContact O-N 3.03Å
167	K	96.6	Very high	93.6	Very high	95 Å²	95	50.8 Å²	50.8	41%	0.413	25%	0.254	S	S	.	.	H	α-helix	trans	-63	-45.7	175.3	-175.6	60.7	176.1	73.7	0	111.9	M104 I163 Y164 Y165 L169 L170 D171	M104-K167 HydrophobicContact CE-CB 3.7Å; M104-K167 HydrophobicContact CE-CD 3.96Å; M104-K167 HydrophobicContact CE-CG 4.4Å; I163-K167 WeakPolarHBondContact O-CB 3.19Å; I163-K167 PolarHBondContact O-N 3.11Å; Y164-K167 PolarHBondContact O-N 3.37Å; Y165-K167 VanDerWaalsContact C-N 3.33Å; Y165-K167 PolarHBondContact O-N 3.23Å; K167-L169 VanDerWaalsContact C-N 3.31Å; K167-L169 PolarHBondContact O-N 3.13Å; K167-L170 WeakPolarHBondContact O-CB 3.36Å; K167-L170 PolarHBondContact O-N 3.44Å; K167-D171 IonicContact NZ-OD1 3.27Å; K167-D171 PolarHBondContact NZ-OD1 3.33Å; K167-D171 IonicContact NZ-OD2 3.58Å; K167-D171 PolarHBondContact NZ-OD2 3.28Å; K167-D171 VanDerWaalsContact O-CG 3.3Å; K167-D171 PolarHBondContact O-N 3.32Å
168	K	95.4	Very high	92.7	Very high	94 Å²	94	49.9 Å²	49.9	41%	0.409	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-40.4	175.9	-75.6	-168.9	162.9	-170.7	0	112.5	L33 Y164 Y165 D171 A172	L33-K168 HydrophobicContact CD1-CB 3.84Å; L33-K168 HydrophobicContact CD2-CB 4.14Å; Y164-K168 HydrophobicContact CE1-CD 4.04Å; Y164-K168 HydrophobicContact CE2-CD 4.26Å; Y164-K168 PolarHBondContact O-N 2.93Å; Y164-K168 VanDerWaalsContact O-N 3.11Å; Y164-K168 WeakPolarHBondContact OH-CE 3.32Å; Y164-K168 PolarHBondContact OH-NZ 3.09Å; Y165-K168 PolarHBondContact O-N 3Å; K168-D171 PolarHBondContact O-N 2.96Å; K168-A172 PolarHBondContact O-N 3.31Å
169	L	94.8	Very high	91.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67	-41.1	178.2	-178.5	61.3	0	0	0	111.3	S30 L33 K34 I37 L92 L100 Y165 S166 K167 A172 W173	S30-L169 VanDerWaalsContact OG-CD1 3.26Å; S30-L169 WeakPolarHBondContact OG-CD1 3.37Å; L33-L169 HydrophobicContact CB-CB 4.25Å; L33-L169 HydrophobicContact CB-CD1 4.17Å; L33-L169 HydrophobicContact CD1-CB 4.24Å; K34-L169 HydrophobicContact CG-CD1 4.2Å; K34-L169 HydrophobicContact CG-CD2 3.95Å; I37-L169 HydrophobicContact CD1-CB 4.15Å; I37-L169 HydrophobicContact CD1-CD2 3.54Å; I37-L169 HydrophobicContact CD1-CG 4.5Å; L92-L169 HydrophobicContact CD2-CD2 3.93Å; L100-L169 HydrophobicContact CD2-CB 4.29Å; L100-L169 HydrophobicContact CD2-CD2 4.2Å; L100-L169 HydrophobicContact CD2-CG 4.12Å; Y165-L169 WeakPolarHBondContact O-CB 3.41Å; Y165-L169 PolarHBondContact O-N 2.74Å; S166-L169 PolarHBondContact O-N 2.61Å; K167-L169 VanDerWaalsContact C-N 3.31Å; K167-L169 PolarHBondContact O-N 3.13Å; L169-A172 PolarHBondContact O-N 3.09Å; L169-W173 HydrophobicContact CD1-CD2 4.36Å; L169-W173 HydrophobicContact CD1-CZ2 3.77Å; L169-W173 HydrophobicContact CD2-CH2 3.83Å; L169-W173 HydrophobicContact CD2-CZ2 3.55Å; L169-W173 HydrophobicContact CG-CD2 4.17Å; L169-W173 HydrophobicContact CG-CH2 4.16Å; L169-W173 HydrophobicContact CG-CZ2 3.65Å; L169-W173 PolarHBondContact O-N 2.96Å
170	L	95	Very high	90.5	Very high	15 Å²	15	59.1 Å²	59.1	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-59.4	-47	176	-174.8	65.6	0	0	0	111	I97 L100 V101 M104 S166 K167 A172 W173 F174	I97-L170 HydrophobicContact CG2-CD1 3.78Å; L100-L170 HydrophobicContact CD2-CB 3.89Å; L100-L170 HydrophobicContact CD2-CD1 4.1Å; V101-L170 HydrophobicContact CG2-CD1 3.72Å; V101-L170 HydrophobicContact CG2-CD2 3.88Å; V101-L170 HydrophobicContact CG2-CG 4.47Å; M104-L170 HydrophobicContact SD-CD2 4.07Å; S166-L170 VanDerWaalsContact O-CB 3.27Å; S166-L170 WeakPolarHBondContact O-CB 3.44Å; S166-L170 PolarHBondContact O-N 3.03Å; K167-L170 WeakPolarHBondContact O-CB 3.36Å; K167-L170 PolarHBondContact O-N 3.44Å; L170-A172 PolarHBondContact O-N 3.18Å; L170-W173 PolarHBondContact O-N 3.18Å; L170-F174 HydrophobicContact CD1-CD2 3.87Å; L170-F174 HydrophobicContact CD1-CE2 3.42Å; L170-F174 VanDerWaalsContact CD1-CE2 3.42Å; L170-F174 HydrophobicContact CD1-CZ 4.32Å; L170-F174 HydrophobicContact CD2-CE2 4.08Å; L170-F174 HydrophobicContact CG-CD2 3.73Å; L170-F174 HydrophobicContact CG-CE2 3.55Å; L170-F174 VanDerWaalsContact O-CD2 3.25Å; L170-F174 WeakPolarHBondContact O-CD2 3.43Å; L170-F174 PolarHBondContact O-N 3.4Å
171	D	92.3	Very high	89.4	Confident	70 Å²	70	65.3 Å²	65.3	37%	0.374	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-44.6	177.5	-67.1	-23.9	0	0	0	111.3	K167 K168 W173 F174 T175	K167-D171 IonicContact NZ-OD1 3.27Å; K167-D171 PolarHBondContact NZ-OD1 3.33Å; K167-D171 IonicContact NZ-OD2 3.58Å; K167-D171 PolarHBondContact NZ-OD2 3.28Å; K167-D171 VanDerWaalsContact O-CG 3.3Å; K167-D171 PolarHBondContact O-N 3.32Å; K168-D171 PolarHBondContact O-N 2.96Å; D171-W173 VanDerWaalsContact C-N 3.34Å; D171-W173 PolarHBondContact O-N 3.33Å; D171-F174 PolarHBondContact O-N 3.1Å; D171-T175 PolarHBondContact O-N 2.99Å; D171-T175 PolarHBondContact O-OG1 3.05Å; D171-T175 VanDerWaalsContact O-OG1 3.09Å
172	A	90.1	Very high	88.1	Confident	15 Å²	15	67.5 Å²	67.5	12%	0.124	32%	0.32	C	S	.	.	H	α-helix	trans	-60.3	-41.3	176.5	0	0	0	0	0	112.7	K168 L169 L170 S176	K168-A172 PolarHBondContact O-N 3.31Å; L169-A172 PolarHBondContact O-N 3.09Å; L170-A172 PolarHBondContact O-N 3.18Å; A172-S176 WeakPolarHBondContact O-CB 3.38Å; A172-S176 PolarHBondContact O-N 3.11Å; A172-S176 VanDerWaalsContact O-N 3.11Å
173	W	91.4	Very high	86	Confident	11 Å²	11	76.4 Å²	76.4	4%	0.042	36%	0.358	C	S	.	.	H	α-helix	trans	-69.2	-40	177.3	-70.9	-8.2	0	0	0	112.8	S30 A91 N95 I97 L100 L169 L170 D171 T177	S30-W173 PolarHBondContact OG-NE1 2.69Å; A91-W173 HydrophobicContact CB-CH2 4.47Å; N95-W173 HydrophobicContact CB-CD2 3.99Å; N95-W173 HydrophobicContact CB-CE3 4.34Å; N95-W173 HydrophobicContact CB-CG 4.5Å; N95-W173 HydrophobicContact CB-CH2 4.34Å; N95-W173 HydrophobicContact CB-CZ2 3.96Å; N95-W173 HydrophobicContact CB-CZ3 4.49Å; N95-W173 WeakPolarHBondContact OD1-CZ2 3.07Å; I97-W173 HydrophobicContact CD1-CB 4.21Å; I97-W173 HydrophobicContact CG1-CB 4.07Å; I97-W173 HydrophobicContact CG1-CE3 4Å; L100-W173 HydrophobicContact CB-CZ3 3.91Å; L100-W173 HydrophobicContact CD2-CE3 3.78Å; L100-W173 HydrophobicContact CD2-CH2 4.09Å; L100-W173 HydrophobicContact CD2-CZ3 3.49Å; L100-W173 VanDerWaalsContact CD2-CZ3 3.49Å; L100-W173 HydrophobicContact CG-CZ3 4.28Å; L169-W173 HydrophobicContact CD1-CD2 4.36Å; L169-W173 HydrophobicContact CD1-CZ2 3.77Å; L169-W173 HydrophobicContact CD2-CH2 3.83Å; L169-W173 HydrophobicContact CD2-CZ2 3.55Å; L169-W173 HydrophobicContact CG-CD2 4.17Å; L169-W173 HydrophobicContact CG-CH2 4.16Å; L169-W173 HydrophobicContact CG-CZ2 3.65Å; L169-W173 PolarHBondContact O-N 2.96Å; L170-W173 PolarHBondContact O-N 3.18Å; D171-W173 VanDerWaalsContact C-N 3.34Å; D171-W173 PolarHBondContact O-N 3.33Å; W173-T177 WeakPolarHBondContact O-CB 3.42Å; W173-T177 PolarHBondContact O-N 2.9Å; W173-T177 PolarHBondContact O-OG1 3.5Å
174	F	88.3	Confident	85.5	Confident	90 Å²	90	77.5 Å²	77.5	40%	0.395	36%	0.363	S	S	.	.	H	α-helix	trans	-64.2	-48.6	176.2	-86.1	-62	0	0	0	112	I97 L170 D171 S176 T177 Q178	I97-F174 HydrophobicContact CD1-CD1 4.15Å; I97-F174 HydrophobicContact CD1-CE1 4.18Å; I97-F174 HydrophobicContact CG2-CE1 3.84Å; I97-F174 HydrophobicContact CG2-CE2 3.8Å; I97-F174 HydrophobicContact CG2-CZ 3.36Å; L170-F174 HydrophobicContact CD1-CD2 3.87Å; L170-F174 HydrophobicContact CD1-CE2 3.42Å; L170-F174 VanDerWaalsContact CD1-CE2 3.42Å; L170-F174 HydrophobicContact CD1-CZ 4.32Å; L170-F174 HydrophobicContact CD2-CE2 4.08Å; L170-F174 HydrophobicContact CG-CD2 3.73Å; L170-F174 HydrophobicContact CG-CE2 3.55Å; L170-F174 VanDerWaalsContact O-CD2 3.25Å; L170-F174 WeakPolarHBondContact O-CD2 3.43Å; L170-F174 PolarHBondContact O-N 3.4Å; D171-F174 PolarHBondContact O-N 3.1Å; F174-S176 VanDerWaalsContact C-N 3.33Å; F174-S176 PolarHBondContact O-N 2.99Å; F174-T177 PolarHBondContact O-N 3.4Å; F174-Q178 WeakPolarHBondContact O-CG 3.35Å; F174-Q178 PolarHBondContact O-N 3.38Å
175	T	84.4	Confident	84.9	Confident	57 Å²	57	76.3 Å²	76.3	35%	0.35	36%	0.361	S	S	.	.	H	α-helix	trans	-58.9	-45.9	177.9	-56.5	0	0	0	0	111.1	D171 T177 Q178 D179	D171-T175 PolarHBondContact O-N 2.99Å; D171-T175 PolarHBondContact O-OG1 3.05Å; D171-T175 VanDerWaalsContact O-OG1 3.09Å; T175-T177 VanDerWaalsContact C-N 3.33Å; T175-T177 PolarHBondContact O-N 3.05Å; T175-Q178 PolarHBondContact O-N 2.94Å; T175-D179 WeakPolarHBondContact O-CB 3.45Å; T175-D179 PolarHBondContact O-N 3.31Å
176	S	81.4	Confident	84.2	Confident	44 Å²	44	77.7 Å²	77.7	31%	0.308	37%	0.37	S	S	.	.	H	α-helix	trans	-61.5	-39.3	178.5	-175.8	0	0	0	0	112.9	A172 F174 K180	A172-S176 WeakPolarHBondContact O-CB 3.38Å; A172-S176 PolarHBondContact O-N 3.11Å; A172-S176 VanDerWaalsContact O-N 3.11Å; F174-S176 VanDerWaalsContact C-N 3.33Å; F174-S176 PolarHBondContact O-N 2.99Å; S176-K180 WeakPolarHBondContact O-CG 3.49Å; S176-K180 PolarHBondContact O-N 3.49Å
177	T	82.3	Confident	83.5	Confident	73 Å²	73	82.1 Å²	82.1	45%	0.448	39%	0.391	S	S	.	.	H	α-helix	trans	-70.5	-38.9	180	-53.2	0	0	0	0	111.6	W173 F174 T175 K180 K181	W173-T177 WeakPolarHBondContact O-CB 3.42Å; W173-T177 PolarHBondContact O-N 2.9Å; W173-T177 PolarHBondContact O-OG1 3.5Å; F174-T177 PolarHBondContact O-N 3.4Å; T175-T177 VanDerWaalsContact C-N 3.33Å; T175-T177 PolarHBondContact O-N 3.05Å; T177-K180 PolarHBondContact O-N 3.27Å; T177-K181 PolarHBondContact O-N 3.07Å; T177-K181 VanDerWaalsContact O-N 3.13Å
178	Q	80.4	Confident	82.7	Confident	96 Å²	96	81.3 Å²	81.3	45%	0.449	39%	0.389	S	S	.	.	H	α-helix	trans	-68.3	-42.1	176.3	-69.1	-65.1	-26.2	0	0	112.1	F174 T175 K180 K181 K182	F174-Q178 WeakPolarHBondContact O-CG 3.35Å; F174-Q178 PolarHBondContact O-N 3.38Å; T175-Q178 PolarHBondContact O-N 2.94Å; Q178-K180 PolarHBondContact O-N 3.46Å; Q178-K181 PolarHBondContact O-N 3.1Å; Q178-K181 VanDerWaalsContact O-N 3.09Å; Q178-K182 WeakPolarHBondContact O-CG 3.33Å; Q178-K182 PolarHBondContact O-N 3.05Å; Q178-K182 VanDerWaalsContact O-N 3.07Å
179	D	75.8	Confident	81.8	Confident	52 Å²	52	80.5 Å²	80.5	28%	0.278	39%	0.388	S	S	.	.	H	α-helix	trans	-62.7	-29.4	176.5	-74.6	-9.8	0	0	0	111.7	R22 T175	R22-D179 IonicContact CZ-OD2 2.69Å; R22-D179 IonicContact NE-OD2 3.33Å; R22-D179 IonicContact NH2-OD2 3.94Å; R22-D179 PolarHBondContact NH2-OD2 3.35Å; T175-D179 WeakPolarHBondContact O-CB 3.45Å; T175-D179 PolarHBondContact O-N 3.31Å
180	K	72.9	Confident	80.9	Confident	154 Å²	154	86.2 Å²	86.2	67%	0.67	42%	0.416	S	S	*	.	H	α-helix	trans	-74.8	-34.7	171.4	-73.6	-177.8	-179	-175.2	0	113.8	S176 T177 Q178	S176-K180 WeakPolarHBondContact O-CG 3.49Å; S176-K180 PolarHBondContact O-N 3.49Å; T177-K180 PolarHBondContact O-N 3.27Å; Q178-K180 PolarHBondContact O-N 3.46Å
181	K	74.7	Confident	79.8	Confident	169 Å²	169	91.7 Å²	91.7	74%	0.735	44%	0.442	S	S	*	.	H	α-helix	trans	-78.9	-26.2	-176.8	-170	178.5	179.9	-178.2	0	113.4	T177 Q178 K183	T177-K181 PolarHBondContact O-N 3.07Å; T177-K181 VanDerWaalsContact O-N 3.13Å; Q178-K181 PolarHBondContact O-N 3.1Å; Q178-K181 VanDerWaalsContact O-N 3.09Å; K181-K183 PolarHBondContact O-N 2.92Å
182	K	69.6	Low	78.8	Confident	172 Å²	172	93.5 Å²	93.5	75%	0.748	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-4.8	177.1	-72	-179.5	178.7	-178.8	0	113.6	Q178	Q178-K182 WeakPolarHBondContact O-CG 3.33Å; Q178-K182 PolarHBondContact O-N 3.05Å; Q178-K182 VanDerWaalsContact O-N 3.07Å
183	K	54	Low	77.7	Confident	189 Å²	189	100.6 Å²	100.6	82%	0.822	48%	0.477	S	S	*	.			trans	-107.5	0	175	-68.9	-173.2	174.4	-161.9	0	109.2	H19 K181	H19-K183 PolarHBondContact CD2-NZ 3.42Å; H19-K183 PolarHBondContact CE1-NZ 2.67Å; H19-K183 PolarHBondContact ND1-NZ 3.21Å; H19-K183 PolarHBondContact NE2-NZ 3.18Å; K181-K183 PolarHBondContact O-N 2.92Å

Retrieved 183 of 183 residues in 719.9 ms (Link to these results)

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