A0A3Q0KGZ4_SCHMA Loading...

Sjogrens syndrome scleroderma autoantigen 1

AlphaFold DB , UniProt , Accession A0A3Q0KGZ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 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	39.5	Very low	50.4	Low	218 Å²	218	148 Å²	148	100%	1.074	78%	0.783	S	S	*	*				0	85.5	0	-173.9	167.4	174.7	0	0	107.1	I3	M1-I3 HydrophobicContact CE-CD1 4.18Å; M1-I3 HydrophobicContact CG-CG1 4.35Å
2	I	50.9	Low	50	Low	152 Å²	152	148.1 Å²	148.1	78%	0.779	78%	0.784	S	S	*	*			trans	-100.7	103.8	175	-58.5	-176.8	0	0	0	105.3	M4	I2-M4 HydrophobicContact CG2-CG 3.71Å; I2-M4 PolarHBondContact O-N 3.46Å
3	I	50.3	Low	50.1	Low	140 Å²	140	150.2 Å²	150.2	72%	0.718	79%	0.787	S	S	*	*			trans	-79.5	99.5	173.2	-54.3	177.1	0	0	0	105.2	M1	M1-I3 HydrophobicContact CE-CD1 4.18Å; M1-I3 HydrophobicContact CG-CG1 4.35Å
4	M	59.8	Low	50.2	Low	161 Å²	161	150.5 Å²	150.5	79%	0.793	79%	0.787	S	S	*	*			trans	-90.8	109.4	169	-64.6	-157.6	103	0	0	108.5	I2 S6	I2-M4 HydrophobicContact CG2-CG 3.71Å; I2-M4 PolarHBondContact O-N 3.46Å; M4-S6 PolarHBondContact O-N 3.42Å
5	N	51.6	Low	50	Low	122 Å²	122	150.2 Å²	150.2	65%	0.652	79%	0.786	S	S	*	*			trans	-52.4	120.2	-178.1	-163.3	28.7	0	0	0	111.3	Q7	N5-Q7 PolarHBondContact ND2-OE1 3.15Å; N5-Q7 PolarHBondContact O-N 3.17Å
6	S	55.1	Low	50.2	Low	118 Å²	118	151.2 Å²	151.2	83%	0.825	78%	0.777	S	S	*	*			trans	-92	81.1	177.7	-40.6	0	0	0	0	108.7	M4	M4-S6 PolarHBondContact O-N 3.42Å
7	Q	51.5	Low	50.2	Low	145 Å²	145	147.6 Å²	147.6	68%	0.678	76%	0.76	S	S	*	*			trans	-138.3	128.6	175.6	-75.9	177.2	-15.6	0	0	111.3	N5	N5-Q7 PolarHBondContact ND2-OE1 3.15Å; N5-Q7 PolarHBondContact O-N 3.17Å
8	S	49.7	Very low	50.7	Low	97 Å²	97	144.4 Å²	144.4	68%	0.678	75%	0.753	S	S	*	*			trans	65.3	83.2	157.3	54.2	0	0	0	0	118.3
9	L	44.6	Very low	51.3	Low	173 Å²	173	140.2 Å²	140.2	91%	0.906	74%	0.737	S	S	*	*			trans	-116.1	77.7	140.6	-100.3	162.5	0	0	0	106.4	D11	L9-D11 PolarHBondContact O-N 3.37Å
10	E	52.9	Low	51.6	Low	155 Å²	155	141.3 Å²	141.3	72%	0.724	73%	0.732	S	S	*	*			trans	-68.2	111.7	169.4	-67.9	172.9	177.7	0	0	107.8	N12	E10-N12 PolarHBondContact O-N 3.41Å
11	D	49	Very low	52.1	Low	147 Å²	147	136.8 Å²	136.8	79%	0.786	72%	0.715	S	S	*	*			trans	41.8	67.2	131.4	-51.2	-27.1	0	0	0	116.4	L9 E13	L9-D11 PolarHBondContact O-N 3.37Å; D11-E13 VanDerWaalsContact C-N 3.3Å
12	N	45	Very low	53.5	Low	149 Å²	149	129.8 Å²	129.8	80%	0.797	68%	0.682	S	S	*	*			trans	-94.9	66.9	151.3	-76.2	-65.7	0	0	0	108.7	E10 I14	E10-N12 PolarHBondContact O-N 3.41Å; N12-I14 PolarHBondContact O-N 3.48Å
13	E	50.9	Low	54.9	Low	176 Å²	176	124.7 Å²	124.7	82%	0.822	66%	0.66	S	S	*	*			trans	-57.5	99.5	151.8	-85.2	-169.2	151.1	0	0	106.3	D11 L15	D11-E13 VanDerWaalsContact C-N 3.3Å; E13-L15 PolarHBondContact O-N 3.08Å
14	I	52.4	Low	56.5	Low	154 Å²	154	122.6 Å²	122.6	79%	0.79	65%	0.65	S	S	*	*			trans	-65.3	92.7	161.3	-59.9	173.6	0	0	0	104.2	N12 Y16	N12-I14 PolarHBondContact O-N 3.48Å; I14-Y16 PolarHBondContact O-N 3Å
15	L	47.6	Very low	57.9	Low	146 Å²	146	118.2 Å²	118.2	76%	0.764	63%	0.632	S	S	*	*			trans	-53.5	92.6	167.7	-178.7	72.9	0	0	0	106.5	E13 D17	E13-L15 PolarHBondContact O-N 3.08Å; L15-D17 PolarHBondContact O-N 3.36Å
16	Y	52.3	Low	59.6	Low	166 Å²	166	118.2 Å²	118.2	65%	0.651	63%	0.626	S	S	*	*			trans	-66.8	86.1	169.8	-175.7	-96.2	0	0	0	105.8	I14 S18	I14-Y16 PolarHBondContact O-N 3Å; Y16-S18 PolarHBondContact O-N 3.01Å; Y16-S18 VanDerWaalsContact O-N 3.1Å
17	D	50.4	Low	61.3	Low	90 Å²	90	119 Å²	119	48%	0.481	62%	0.615	S	S	.	*			trans	-61	118.5	179.8	-176.8	3	0	0	0	107.6	L15 S19 Y20	L15-D17 PolarHBondContact O-N 3.36Å; D17-S19 PolarHBondContact O-N 3.2Å; D17-S19 WeakPolarHBondContact OD1-CB 3.03Å; D17-S19 PolarHBondContact OD1-N 3.05Å; D17-S19 PolarHBondContact OD1-OG 3.41Å; D17-S19 WeakPolarHBondContact OD2-CB 3.49Å; D17-S19 PolarHBondContact OD2-OG 3.45Å; D17-Y20 PolarHBondContact O-N 3.38Å
18	S	59.6	Low	63.1	Low	91 Å²	91	119.2 Å²	119.2	64%	0.636	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.8	-15.2	172.2	176	0	0	0	0	112.4	Y16 Y20	Y16-S18 PolarHBondContact O-N 3.01Å; Y16-S18 VanDerWaalsContact O-N 3.1Å; S18-Y20 VanDerWaalsContact C-N 3.26Å; S18-Y20 PolarHBondContact O-N 3.29Å
19	S	61.1	Low	65.1	Low	63 Å²	63	120.4 Å²	120.4	44%	0.441	61%	0.605	S	S	.	*	H	α-helix	trans	-55.7	-32.7	171.5	76.2	0	0	0	0	114.3	D17 C23	D17-S19 PolarHBondContact O-N 3.2Å; D17-S19 WeakPolarHBondContact OD1-CB 3.03Å; D17-S19 PolarHBondContact OD1-N 3.05Å; D17-S19 PolarHBondContact OD1-OG 3.41Å; D17-S19 WeakPolarHBondContact OD2-CB 3.49Å; D17-S19 PolarHBondContact OD2-OG 3.45Å; S19-C23 PolarHBondContact O-N 3.47Å
20	Y	57.3	Low	67.4	Low	163 Å²	163	115.9 Å²	115.9	64%	0.639	58%	0.575	S	S	*	*	H	α-helix	trans	-78	-40.9	-175.4	-142.5	-89.1	0	0	0	113.2	D17 S18 N22 C23	D17-Y20 PolarHBondContact O-N 3.38Å; S18-Y20 VanDerWaalsContact C-N 3.26Å; S18-Y20 PolarHBondContact O-N 3.29Å; Y20-N22 PolarHBondContact O-N 3.33Å; Y20-C23 WeakPolarHBondContact O-CB 3.34Å; Y20-C23 PolarHBondContact O-N 3.18Å
21	A	62.6	Low	69.3	Low	47 Å²	47	111.5 Å²	111.5	39%	0.388	56%	0.562	S	S	.	*	H	α-helix	trans	-62.9	-26.4	174.2	0	0	0	0	0	112.6	T25	A21-T25 PolarHBondContact O-OG1 3.04Å
22	N	68.7	Low	71.5	Confident	70 Å²	70	108.5 Å²	108.5	37%	0.374	55%	0.546	S	S	.	.	H	α-helix	trans	-77	-24.2	176.9	-156.5	-12.1	0	0	0	112.4	Y20 T25 K26	Y20-N22 PolarHBondContact O-N 3.33Å; N22-T25 WeakPolarHBondContact CA-OG1 3.38Å; N22-T25 PolarHBondContact O-OG1 2.87Å; N22-T25 VanDerWaalsContact O-OG1 3.09Å; N22-K26 VanDerWaalsContact O-CB 3.3Å; N22-K26 WeakPolarHBondContact O-CB 3.49Å; N22-K26 WeakPolarHBondContact O-CD 3.35Å; N22-K26 WeakPolarHBondContact O-CG 3.35Å; N22-K26 PolarHBondContact O-N 3.08Å; N22-K26 WeakPolarHBondContact OD1-CE 3.47Å
23	C	79.6	Confident	73.9	Confident	46 Å²	46	106 Å²	106	31%	0.311	53%	0.528	S	S	.	.	H	α-helix	trans	-66.3	-46.3	179.4	-173.4	0	0	0	0	111.6	S19 Y20 K26 K27	S19-C23 PolarHBondContact O-N 3.47Å; Y20-C23 WeakPolarHBondContact O-CB 3.34Å; Y20-C23 PolarHBondContact O-N 3.18Å; C23-K26 PolarHBondContact O-N 3.47Å; C23-K27 WeakPolarHBondContact O-CG 3.45Å; C23-K27 PolarHBondContact O-N 2.91Å; C23-K27 VanDerWaalsContact SG-CE 3.56Å
24	D	84.9	Confident	76	Confident	96 Å²	96	98.5 Å²	98.5	51%	0.513	49%	0.493	S	S	.	.	H	α-helix	trans	-68.5	-41.5	-178.1	-66.2	-29.4	0	0	0	111.8	K27 R28	D24-K27 PolarHBondContact O-N 3.04Å; D24-R28 WeakPolarHBondContact O-CB 3.35Å; D24-R28 PolarHBondContact O-N 3.05Å
25	T	88.8	Confident	78	Confident	69 Å²	69	94.5 Å²	94.5	42%	0.423	48%	0.479	S	S	.	.	H	α-helix	trans	-65.4	-41.9	176.9	51.1	0	0	0	0	111.8	A21 N22 R28 Q29	A21-T25 PolarHBondContact O-OG1 3.04Å; N22-T25 WeakPolarHBondContact CA-OG1 3.38Å; N22-T25 PolarHBondContact O-OG1 2.87Å; N22-T25 VanDerWaalsContact O-OG1 3.09Å; T25-R28 PolarHBondContact O-N 2.76Å; T25-Q29 WeakPolarHBondContact O-CB 3.35Å; T25-Q29 VanDerWaalsContact O-CG 3.25Å; T25-Q29 WeakPolarHBondContact O-CG 3.49Å; T25-Q29 PolarHBondContact O-N 3.16Å
26	K	87.9	Confident	80.3	Confident	121 Å²	121	92.6 Å²	92.6	53%	0.526	47%	0.47	S	S	.	.	H	α-helix	trans	-61.6	-44.8	174	-77.1	171.4	178.4	170.1	0	112.7	N22 C23 Q29 R30	N22-K26 VanDerWaalsContact O-CB 3.3Å; N22-K26 WeakPolarHBondContact O-CB 3.49Å; N22-K26 WeakPolarHBondContact O-CD 3.35Å; N22-K26 WeakPolarHBondContact O-CG 3.35Å; N22-K26 PolarHBondContact O-N 3.08Å; N22-K26 WeakPolarHBondContact OD1-CE 3.47Å; C23-K26 PolarHBondContact O-N 3.47Å; K26-Q29 PolarHBondContact O-N 3.34Å; K26-R30 WeakPolarHBondContact O-CB 3.42Å; K26-R30 PolarHBondContact O-N 2.82Å
27	K	89.7	Confident	82.4	Confident	135 Å²	135	86.2 Å²	86.2	59%	0.587	45%	0.447	S	S	*	.	H	α-helix	trans	-61.7	-44.4	176.9	-75.3	174.2	-179.8	173.9	0	111.3	C23 D24 R30 S31	C23-K27 WeakPolarHBondContact O-CG 3.45Å; C23-K27 PolarHBondContact O-N 2.91Å; C23-K27 VanDerWaalsContact SG-CE 3.56Å; D24-K27 PolarHBondContact O-N 3.04Å; K27-R30 PolarHBondContact O-N 3.44Å; K27-S31 WeakPolarHBondContact O-CB 3.47Å; K27-S31 PolarHBondContact O-N 3.36Å
28	R	90.7	Very high	84.5	Confident	150 Å²	150	82.9 Å²	82.9	57%	0.566	43%	0.429	S	S	*	.	H	α-helix	trans	-62.3	-49.2	176.5	-176.8	173.6	179.6	173.2	3.1	111.7	D24 T25 R30 S31 D32	D24-R28 WeakPolarHBondContact O-CB 3.35Å; D24-R28 PolarHBondContact O-N 3.05Å; T25-R28 PolarHBondContact O-N 2.76Å; R28-R30 VanDerWaalsContact C-N 3.28Å; R28-R30 PolarHBondContact O-N 3.46Å; R28-S31 WeakPolarHBondContact O-CB 3.36Å; R28-S31 PolarHBondContact O-N 3.21Å; R28-D32 IonicContact NE-OD2 3.98Å; R28-D32 PolarHBondContact O-N 3.13Å
29	Q	90.9	Very high	86.3	Confident	122 Å²	122	80 Å²	80	57%	0.57	41%	0.413	S	S	*	.	H	α-helix	trans	-57.2	-41.8	176.5	-74.9	173.3	-2.7	0	0	112.1	T25 K26 K33	T25-Q29 WeakPolarHBondContact O-CB 3.35Å; T25-Q29 VanDerWaalsContact O-CG 3.25Å; T25-Q29 WeakPolarHBondContact O-CG 3.49Å; T25-Q29 PolarHBondContact O-N 3.16Å; K26-Q29 PolarHBondContact O-N 3.34Å; Q29-K33 WeakPolarHBondContact O-CG 3.25Å; Q29-K33 PolarHBondContact O-N 3.43Å
30	R	93.2	Very high	87.9	Confident	77 Å²	77	80.8 Å²	80.8	29%	0.291	41%	0.41	S	S	.	.	H	α-helix	trans	-61.4	-48.2	174.1	-175.9	174.2	-178.9	-83.5	1.6	111	K26 K27 R28 D32 K33 I34 I76 D77	K26-R30 WeakPolarHBondContact O-CB 3.42Å; K26-R30 PolarHBondContact O-N 2.82Å; K27-R30 PolarHBondContact O-N 3.44Å; R28-R30 VanDerWaalsContact C-N 3.28Å; R28-R30 PolarHBondContact O-N 3.46Å; R30-D32 PolarHBondContact O-N 3.34Å; R30-K33 PolarHBondContact O-N 2.87Å; R30-I34 HydrophobicContact CG-CD1 4.12Å; R30-I34 VanDerWaalsContact O-CG1 3.28Å; R30-I34 WeakPolarHBondContact O-CG1 3.07Å; R30-I34 PolarHBondContact O-N 2.89Å; R30-I76 HydrophobicContact CG-CG2 4.2Å; R30-D77 IonicContact CZ-OD1 3.48Å; R30-D77 IonicContact CZ-OD2 3.91Å; R30-D77 IonicContact NE-OD1 2.95Å; R30-D77 PolarHBondContact NE-OD1 2.91Å; R30-D77 IonicContact NH2-OD1 3.11Å; R30-D77 PolarHBondContact NH2-OD1 3.33Å; R30-D77 VanDerWaalsContact NH2-OD1 3.11Å; R30-D77 IonicContact NH2-OD2 2.85Å; R30-D77 PolarHBondContact NH2-OD2 3.19Å
31	S	93	Very high	89.8	Confident	63 Å²	63	73.8 Å²	73.8	44%	0.441	38%	0.382	S	S	.	.	H	α-helix	trans	-60.6	-42.5	178.4	-169.4	0	0	0	0	112.9	K27 R28 I34 S35	K27-S31 WeakPolarHBondContact O-CB 3.47Å; K27-S31 PolarHBondContact O-N 3.36Å; R28-S31 WeakPolarHBondContact O-CB 3.36Å; R28-S31 PolarHBondContact O-N 3.21Å; S31-I34 PolarHBondContact O-N 3.1Å; S31-S35 WeakPolarHBondContact O-CB 3.46Å; S31-S35 PolarHBondContact O-N 3Å; S31-S35 PolarHBondContact O-OG 3.08Å
32	D	94.6	Very high	91.3	Very high	85 Å²	85	75.4 Å²	75.4	46%	0.455	38%	0.384	S	S	.	.	H	α-helix	trans	-65.3	-42.7	179.5	-66.3	-16.7	0	0	0	110.7	R28 R30 S35 N36	R28-D32 IonicContact NE-OD2 3.98Å; R28-D32 PolarHBondContact O-N 3.13Å; R30-D32 PolarHBondContact O-N 3.34Å; D32-S35 PolarHBondContact O-N 2.86Å; D32-N36 WeakPolarHBondContact O-CB 3.28Å; D32-N36 PolarHBondContact O-N 2.84Å
33	K	94.9	Very high	92.7	Very high	97 Å²	97	79.7 Å²	79.7	42%	0.422	41%	0.406	S	S	.	.	H	α-helix	trans	-59.3	-46.7	172.7	-77.1	-175.9	173.9	-163.7	0	111.7	Q29 R30 N36 L37 I76 E79	Q29-K33 WeakPolarHBondContact O-CG 3.25Å; Q29-K33 PolarHBondContact O-N 3.43Å; R30-K33 PolarHBondContact O-N 2.87Å; K33-N36 PolarHBondContact O-N 2.94Å; K33-L37 PolarHBondContact O-N 2.77Å; K33-L37 VanDerWaalsContact O-N 3.13Å; K33-I76 HydrophobicContact CB-CD1 3.77Å; K33-I76 HydrophobicContact CB-CG1 4.34Å; K33-I76 HydrophobicContact CD-CG2 4.43Å; K33-E79 IonicContact NZ-OE2 3.12Å; K33-E79 PolarHBondContact NZ-OE2 2.93Å; K33-E79 VanDerWaalsContact NZ-OE2 3.12Å
34	I	95.3	Very high	93.4	Very high	17 Å²	17	83.7 Å²	83.7	9%	0.087	42%	0.419	C	S	.	.	H	α-helix	trans	-57.1	-52.4	176.8	-67.8	167.3	0	0	0	109.6	R30 S31 N36 L37 M38 T58 A72 I76	R30-I34 HydrophobicContact CG-CD1 4.12Å; R30-I34 VanDerWaalsContact O-CG1 3.28Å; R30-I34 WeakPolarHBondContact O-CG1 3.07Å; R30-I34 PolarHBondContact O-N 2.89Å; S31-I34 PolarHBondContact O-N 3.1Å; I34-N36 VanDerWaalsContact C-N 3.32Å; I34-N36 PolarHBondContact O-N 2.89Å; I34-L37 PolarHBondContact O-N 2.98Å; I34-L37 VanDerWaalsContact O-N 3.16Å; I34-M38 HydrophobicContact CG2-CE 3.83Å; I34-M38 HydrophobicContact CG2-CG 4.06Å; I34-M38 VanDerWaalsContact O-CG 3.28Å; I34-M38 WeakPolarHBondContact O-CG 3.47Å; I34-M38 PolarHBondContact O-N 3.38Å; I34-T58 HydrophobicContact CG2-CG2 3.82Å; I34-A72 HydrophobicContact CD1-CB 3.73Å; I34-A72 HydrophobicContact CG1-CB 3.95Å; I34-I76 HydrophobicContact CB-CD1 4.07Å; I34-I76 HydrophobicContact CD1-CD1 4.35Å; I34-I76 HydrophobicContact CG1-CD1 3.21Å
35	S	95	Very high	93.9	Very high	71 Å²	71	82.1 Å²	82.1	50%	0.497	43%	0.425	S	S	.	.	H	α-helix	trans	-60.2	-40.9	-175.6	-57.5	0	0	0	0	112.4	S31 D32 M38 G39	S31-S35 WeakPolarHBondContact O-CB 3.46Å; S31-S35 PolarHBondContact O-N 3Å; S31-S35 PolarHBondContact O-OG 3.08Å; D32-S35 PolarHBondContact O-N 2.86Å; S35-M38 PolarHBondContact O-N 3.27Å; S35-G39 PolarHBondContact O-N 2.77Å
36	N	95.9	Very high	94.2	Very high	106 Å²	106	80.8 Å²	80.8	57%	0.567	41%	0.412	S	S	*	.	H	α-helix	trans	-63.2	-46	176	-174.2	28	0	0	0	112	D32 K33 I34 G39 Q40	D32-N36 WeakPolarHBondContact O-CB 3.28Å; D32-N36 PolarHBondContact O-N 2.84Å; K33-N36 PolarHBondContact O-N 2.94Å; I34-N36 VanDerWaalsContact C-N 3.32Å; I34-N36 PolarHBondContact O-N 2.89Å; N36-G39 PolarHBondContact O-N 3.24Å; N36-Q40 WeakPolarHBondContact O-CG 3.32Å; N36-Q40 PolarHBondContact O-N 3.41Å
37	L	95.4	Very high	94.7	Very high	32 Å²	32	83 Å²	83	17%	0.168	42%	0.417	C	S	.	.	H	α-helix	trans	-65.3	-40.4	177.4	-73.6	170.4	0	0	0	111.9	K33 I34 G39 Q40 Y41 V71 E75 I76	K33-L37 PolarHBondContact O-N 2.77Å; K33-L37 VanDerWaalsContact O-N 3.13Å; I34-L37 PolarHBondContact O-N 2.98Å; I34-L37 VanDerWaalsContact O-N 3.16Å; L37-G39 VanDerWaalsContact C-N 3.28Å; L37-G39 PolarHBondContact O-N 3.46Å; L37-Q40 WeakPolarHBondContact O-CB 3.07Å; L37-Q40 PolarHBondContact O-N 3.47Å; L37-Y41 HydrophobicContact CB-CD2 4.48Å; L37-Y41 HydrophobicContact CB-CE2 4.17Å; L37-Y41 HydrophobicContact CD2-CE2 4.46Å; L37-Y41 WeakPolarHBondContact O-CD2 3.37Å; L37-Y41 PolarHBondContact O-N 3.49Å; L37-V71 HydrophobicContact CB-CG1 3.4Å; L37-V71 HydrophobicContact CD1-CG1 3.81Å; L37-V71 HydrophobicContact CG-CG1 4.24Å; L37-E75 HydrophobicContact CD1-CB 3.65Å; L37-E75 HydrophobicContact CD1-CG 4.24Å; L37-I76 HydrophobicContact CD1-CD1 4.14Å; L37-I76 HydrophobicContact CD1-CG1 3.97Å
38	M	95.7	Very high	95	Very high	20 Å²	20	80.5 Å²	80.5	10%	0.099	41%	0.409	C	S	.	.	H	α-helix	trans	-54	-46.9	175	-67.7	-39.9	-166.7	0	0	111.3	I34 S35 Q40 Y41 L42 T58 F61 V71	I34-M38 HydrophobicContact CG2-CE 3.83Å; I34-M38 HydrophobicContact CG2-CG 4.06Å; I34-M38 VanDerWaalsContact O-CG 3.28Å; I34-M38 WeakPolarHBondContact O-CG 3.47Å; I34-M38 PolarHBondContact O-N 3.38Å; S35-M38 PolarHBondContact O-N 3.27Å; M38-Q40 VanDerWaalsContact C-N 3.33Å; M38-Q40 PolarHBondContact O-N 3.33Å; M38-Y41 PolarHBondContact O-N 3.29Å; M38-L42 WeakPolarHBondContact O-CG 3.4Å; M38-L42 PolarHBondContact O-N 3.08Å; M38-T58 HydrophobicContact CE-CG2 3.29Å; M38-F61 HydrophobicContact CB-CZ 4.06Å; M38-F61 HydrophobicContact CE-CD2 4.1Å; M38-F61 HydrophobicContact CE-CE2 3.6Å; M38-F61 HydrophobicContact CE-CZ 4.48Å; M38-F61 HydrophobicContact CG-CE2 4.16Å; M38-F61 HydrophobicContact CG-CZ 4.15Å; M38-F61 HydrophobicContact SD-CD2 3.8Å; M38-F61 HydrophobicContact SD-CE1 4.44Å; M38-F61 HydrophobicContact SD-CE2 3.07Å; M38-F61 WeakPolarHBondContact SD-CE2 3.44Å; M38-F61 HydrophobicContact SD-CZ 3.44Å; M38-F61 WeakPolarHBondContact SD-CZ 3.07Å; M38-V71 HydrophobicContact CE-CB 3.76Å; M38-V71 HydrophobicContact CE-CG1 4.48Å; M38-V71 HydrophobicContact CE-CG2 4.02Å; M38-V71 HydrophobicContact SD-CB 3.65Å; M38-V71 HydrophobicContact SD-CG1 4.01Å; M38-V71 HydrophobicContact SD-CG2 3.47Å; M38-V71 WeakPolarHBondContact SD-CG2 3.43Å
39	G	96.3	Very high	95.3	Very high	31 Å²	31	74.8 Å²	74.8	32%	0.32	39%	0.389	S	S	.	.	H	α-helix	trans	-58.4	-42.9	175.7	0	0	0	0	0	112.8	S35 N36 L37 Y41 L42 L43	S35-G39 PolarHBondContact O-N 2.77Å; N36-G39 PolarHBondContact O-N 3.24Å; L37-G39 VanDerWaalsContact C-N 3.28Å; L37-G39 PolarHBondContact O-N 3.46Å; G39-Y41 PolarHBondContact O-N 2.96Å; G39-L42 PolarHBondContact O-N 3.19Å; G39-L43 WeakPolarHBondContact O-CG 3.16Å; G39-L43 PolarHBondContact O-N 3.05Å; G39-L43 VanDerWaalsContact O-N 3.08Å
40	Q	96.1	Very high	95.5	Very high	79 Å²	79	77.3 Å²	77.3	37%	0.369	41%	0.407	S	S	.	.	H	α-helix	trans	-63.5	-39.9	178.1	-66.8	175.5	41.9	0	0	112.9	N36 L37 M38 L43 K44	N36-Q40 WeakPolarHBondContact O-CG 3.32Å; N36-Q40 PolarHBondContact O-N 3.41Å; L37-Q40 WeakPolarHBondContact O-CB 3.07Å; L37-Q40 PolarHBondContact O-N 3.47Å; M38-Q40 VanDerWaalsContact C-N 3.33Å; M38-Q40 PolarHBondContact O-N 3.33Å; Q40-L43 PolarHBondContact O-N 2.67Å; Q40-K44 WeakPolarHBondContact O-CG 3.43Å; Q40-K44 PolarHBondContact O-N 2.79Å; Q40-K44 VanDerWaalsContact O-N 3.17Å
41	Y	95.7	Very high	95.6	Very high	15 Å²	15	78.4 Å²	78.4	6%	0.059	42%	0.415	C	S	.	.	H	α-helix	trans	-72.7	-34.4	177.9	-69.1	-69.7	0	0	0	112.7	L37 M38 G39 L43 K44 G45 W46 V71 E75	L37-Y41 HydrophobicContact CB-CD2 4.48Å; L37-Y41 HydrophobicContact CB-CE2 4.17Å; L37-Y41 HydrophobicContact CD2-CE2 4.46Å; L37-Y41 WeakPolarHBondContact O-CD2 3.37Å; L37-Y41 PolarHBondContact O-N 3.49Å; M38-Y41 PolarHBondContact O-N 3.29Å; G39-Y41 PolarHBondContact O-N 2.96Å; Y41-L43 VanDerWaalsContact C-N 3.32Å; Y41-L43 PolarHBondContact O-N 3.36Å; Y41-K44 HydrophobicContact CD1-CD 4.23Å; Y41-K44 WeakPolarHBondContact O-CB 3.21Å; Y41-K44 PolarHBondContact O-N 2.91Å; Y41-K44 VanDerWaalsContact O-N 3.15Å; Y41-G45 PolarHBondContact O-N 3.27Å; Y41-W46 AromaticContact CD1-CD2 3.6Å; Y41-W46 HydrophobicContact CD1-CD2 3.6Å; Y41-W46 AromaticContact CD1-CE2 3.72Å; Y41-W46 AromaticContact CD1-CE3 3.49Å; Y41-W46 HydrophobicContact CD1-CE3 3.49Å; Y41-W46 VanDerWaalsContact CD1-CE3 3.49Å; Y41-W46 HydrophobicContact CD1-CG 4.35Å; Y41-W46 AromaticContact CD1-CH2 3.67Å; Y41-W46 HydrophobicContact CD1-CH2 3.67Å; Y41-W46 AromaticContact CD1-CZ2 3.78Å; Y41-W46 HydrophobicContact CD1-CZ2 3.78Å; Y41-W46 AromaticContact CD1-CZ3 3.52Å; Y41-W46 HydrophobicContact CD1-CZ3 3.52Å; Y41-W46 HydrophobicContact CE1-CD2 4.44Å; Y41-W46 HydrophobicContact CE1-CE3 4.15Å; Y41-W46 AromaticContact CE1-CH2 3.5Å; Y41-W46 HydrophobicContact CE1-CH2 3.5Å; Y41-W46 AromaticContact CE1-CZ2 3.84Å; Y41-W46 HydrophobicContact CE1-CZ2 3.84Å; Y41-W46 AromaticContact CE1-CZ3 3.67Å; Y41-W46 HydrophobicContact CE1-CZ3 3.67Å; Y41-W46 HydrophobicContact CG-CD2 4.2Å; Y41-W46 AromaticContact CG-CE3 3.89Å; Y41-W46 HydrophobicContact CG-CE3 3.89Å; Y41-W46 HydrophobicContact CG-CZ3 4.16Å; Y41-W46 WeakPolarHBondContact O-CB 3.36Å; Y41-W46 PolarHBondContact O-N 3.36Å; Y41-V71 HydrophobicContact CD2-CG1 4.29Å; Y41-V71 HydrophobicContact CD2-CG2 3.6Å; Y41-V71 HydrophobicContact CE2-CB 4.42Å; Y41-V71 HydrophobicContact CE2-CG1 3.91Å; Y41-V71 HydrophobicContact CE2-CG2 3.7Å; Y41-E75 WeakPolarHBondContact OH-CG 3.49Å; Y41-E75 PolarHBondContact OH-OE1 2.94Å
42	L	95.8	Very high	95.8	Very high	82 Å²	82	78.9 Å²	78.9	43%	0.429	42%	0.418	S	S	.	.	H	α-helix	trans	-61.7	-41.4	172.2	-70	174.6	0	0	0	111.5	M38 G39 K44 G45 M48 F61	M38-L42 WeakPolarHBondContact O-CG 3.4Å; M38-L42 PolarHBondContact O-N 3.08Å; G39-L42 PolarHBondContact O-N 3.19Å; L42-K44 VanDerWaalsContact C-N 3.26Å; L42-K44 PolarHBondContact O-N 3.4Å; L42-G45 PolarHBondContact O-N 2.66Å; L42-M48 HydrophobicContact CD1-CE 4.08Å; L42-M48 HydrophobicContact CD2-CB 4.2Å; L42-M48 HydrophobicContact CD2-CE 4.44Å; L42-F61 HydrophobicContact CD2-CE1 3.83Å; L42-F61 HydrophobicContact CD2-CZ 4.36Å; L42-F61 HydrophobicContact CG-CE1 3.98Å; L42-F61 HydrophobicContact CG-CZ 4.37Å
43	L	96.3	Very high	95.8	Very high	160 Å²	160	75.4 Å²	75.4	84%	0.838	40%	0.4	S	S	*	.	H	α-helix	trans	-66.3	-26.7	175.2	-68.2	172.8	0	0	0	113	G39 Q40 Y41 G45	G39-L43 WeakPolarHBondContact O-CG 3.16Å; G39-L43 PolarHBondContact O-N 3.05Å; G39-L43 VanDerWaalsContact O-N 3.08Å; Q40-L43 PolarHBondContact O-N 2.67Å; Y41-L43 VanDerWaalsContact C-N 3.32Å; Y41-L43 PolarHBondContact O-N 3.36Å; L43-G45 PolarHBondContact O-N 3.45Å
44	K	94.8	Very high	95.8	Very high	130 Å²	130	77 Å²	77	57%	0.565	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.5	171.5	-69.3	171.8	-176.5	174.2	0	113.3	Q40 Y41 L42	Q40-K44 WeakPolarHBondContact O-CG 3.43Å; Q40-K44 PolarHBondContact O-N 2.79Å; Q40-K44 VanDerWaalsContact O-N 3.17Å; Y41-K44 HydrophobicContact CD1-CD 4.23Å; Y41-K44 WeakPolarHBondContact O-CB 3.21Å; Y41-K44 PolarHBondContact O-N 2.91Å; Y41-K44 VanDerWaalsContact O-N 3.15Å; L42-K44 VanDerWaalsContact C-N 3.26Å; L42-K44 PolarHBondContact O-N 3.4Å
45	G	94.9	Very high	95.8	Very high	63 Å²	63	84 Å²	84	65%	0.649	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	18	-179.6	0	0	0	0	0	114.6	Y41 L42 L43	Y41-G45 PolarHBondContact O-N 3.27Å; L42-G45 PolarHBondContact O-N 2.66Å; L43-G45 PolarHBondContact O-N 3.45Å
46	W	96.9	Very high	95.7	Very high	41 Å²	41	81.9 Å²	81.9	16%	0.155	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-74.7	148.1	173.6	-67.2	25.3	0	0	0	110.1	Y41 F61 Q63 Y69	Y41-W46 AromaticContact CD1-CD2 3.6Å; Y41-W46 HydrophobicContact CD1-CD2 3.6Å; Y41-W46 AromaticContact CD1-CE2 3.72Å; Y41-W46 AromaticContact CD1-CE3 3.49Å; Y41-W46 HydrophobicContact CD1-CE3 3.49Å; Y41-W46 VanDerWaalsContact CD1-CE3 3.49Å; Y41-W46 HydrophobicContact CD1-CG 4.35Å; Y41-W46 AromaticContact CD1-CH2 3.67Å; Y41-W46 HydrophobicContact CD1-CH2 3.67Å; Y41-W46 AromaticContact CD1-CZ2 3.78Å; Y41-W46 HydrophobicContact CD1-CZ2 3.78Å; Y41-W46 AromaticContact CD1-CZ3 3.52Å; Y41-W46 HydrophobicContact CD1-CZ3 3.52Å; Y41-W46 HydrophobicContact CE1-CD2 4.44Å; Y41-W46 HydrophobicContact CE1-CE3 4.15Å; Y41-W46 AromaticContact CE1-CH2 3.5Å; Y41-W46 HydrophobicContact CE1-CH2 3.5Å; Y41-W46 AromaticContact CE1-CZ2 3.84Å; Y41-W46 HydrophobicContact CE1-CZ2 3.84Å; Y41-W46 AromaticContact CE1-CZ3 3.67Å; Y41-W46 HydrophobicContact CE1-CZ3 3.67Å; Y41-W46 HydrophobicContact CG-CD2 4.2Å; Y41-W46 AromaticContact CG-CE3 3.89Å; Y41-W46 HydrophobicContact CG-CE3 3.89Å; Y41-W46 HydrophobicContact CG-CZ3 4.16Å; Y41-W46 WeakPolarHBondContact O-CB 3.36Å; Y41-W46 PolarHBondContact O-N 3.36Å; W46-F61 HydrophobicContact CB-CD1 4Å; W46-F61 HydrophobicContact CE3-CB 4.06Å; W46-Q63 HydrophobicContact CD2-CG 4.15Å; W46-Q63 HydrophobicContact CE3-CG 3.95Å; W46-Q63 HydrophobicContact CH2-CG 3.52Å; W46-Q63 HydrophobicContact CZ2-CG 3.72Å; W46-Q63 HydrophobicContact CZ3-CG 3.64Å; W46-Y69 HydrophobicContact CH2-CD1 4.27Å; W46-Y69 HydrophobicContact CH2-CD2 4.27Å; W46-Y69 HydrophobicContact CH2-CE1 4.45Å; W46-Y69 HydrophobicContact CH2-CE2 4.42Å; W46-Y69 HydrophobicContact CH2-CG 4.17Å; W46-Y69 AromaticContact CZ3-CD1 3.54Å; W46-Y69 HydrophobicContact CZ3-CD1 3.54Å; W46-Y69 HydrophobicContact CZ3-CD2 4.17Å; W46-Y69 HydrophobicContact CZ3-CE1 4.02Å; W46-Y69 AromaticContact CZ3-CG 3.61Å; W46-Y69 HydrophobicContact CZ3-CG 3.61Å
47	R	96.9	Very high	95.7	Very high	167 Å²	167	84.8 Å²	84.8	63%	0.63	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.3	-177.9	179.2	-176.1	-67.2	173.7	-3.8	110.1	L49 F61 Q62	R47-L49 HydrophobicContact CG-CD2 4.49Å; R47-F61 CarbonylContact O-C 3.52Å; R47-F61 WeakPolarHBondContact O-CA 3.31Å; R47-Q62 HydrophobicContact CB-CB 4.29Å; R47-Q62 PolarHBondContact N-O 3.5Å; R47-Q62 PolarHBondContact O-N 3.23Å
48	M	96.5	Very high	95.6	Very high	83 Å²	83	84.1 Å²	84.1	41%	0.409	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	133.7	168.9	-173.4	-177.7	-73.2	0	0	109.8	L42 I59 F61	L42-M48 HydrophobicContact CD1-CE 4.08Å; L42-M48 HydrophobicContact CD2-CB 4.2Å; L42-M48 HydrophobicContact CD2-CE 4.44Å; M48-I59 HydrophobicContact CG-CG2 3.44Å; M48-I59 VanDerWaalsContact CG-CG2 3.44Å; M48-I59 HydrophobicContact SD-CD1 4.2Å; M48-I59 HydrophobicContact SD-CG2 4.18Å; M48-F61 HydrophobicContact CB-CE1 4.24Å; M48-F61 HydrophobicContact CB-CE2 4.36Å; M48-F61 HydrophobicContact CB-CZ 4.07Å; M48-F61 HydrophobicContact CE-CE1 4.45Å; M48-F61 HydrophobicContact CE-CE2 3.99Å; M48-F61 HydrophobicContact CE-CZ 3.5Å; M48-F61 VanDerWaalsContact CE-CZ 3.5Å; M48-F61 HydrophobicContact CG-CE2 4.04Å; M48-F61 HydrophobicContact CG-CZ 4.1Å
49	L	96.1	Very high	95.7	Very high	30 Å²	30	86.8 Å²	86.8	16%	0.157	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	161.7	-179.7	-58.7	176.4	0	0	0	111.1	R47 E51 I59 L60 Q62 Y68	R47-L49 HydrophobicContact CG-CD2 4.49Å; L49-E51 HydrophobicContact CB-CB 4.42Å; L49-E51 PolarHBondContact O-N 2.99Å; L49-I59 WeakPolarHBondContact O-CG2 3.24Å; L49-L60 HydrophobicContact CB-CB 4.44Å; L49-L60 WeakPolarHBondContact CB-O 3.38Å; L49-L60 HydrophobicContact CD1-CB 4.08Å; L49-L60 PolarHBondContact N-O 2.99Å; L49-Q62 HydrophobicContact CD1-CB 4.21Å; L49-Q62 HydrophobicContact CD2-CB 4Å; L49-Q62 HydrophobicContact CG-CB 4.23Å; L49-Y68 HydrophobicContact CD1-CD1 3.62Å; L49-Y68 HydrophobicContact CD1-CE1 3.63Å; L49-Y68 HydrophobicContact CD1-CG 4.12Å
50	N	95.7	Very high	95.7	Very high	175 Å²	175	86.2 Å²	86.2	94%	0.936	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.8	22.1	169.6	-170.7	42.5	0	0	0	112.2
51	E	95.8	Very high	95.7	Very high	99 Å²	99	82.5 Å²	82.5	46%	0.463	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	142.2	-179	-65.4	-179.7	-176.1	0	0	109.3	L49 L60	L49-E51 HydrophobicContact CB-CB 4.42Å; L49-E51 PolarHBondContact O-N 2.99Å; E51-L60 HydrophobicContact CB-CD1 4.1Å; E51-L60 PolarHBondContact O-N 2.89Å
52	S	96.4	Very high	95.8	Very high	73 Å²	73	83.9 Å²	83.9	51%	0.51	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	147.1	177.8	54.8	0	0	0	0	111.2
53	C	95.9	Very high	95.7	Very high	12 Å²	12	81.8 Å²	81.8	8%	0.081	42%	0.424	C	S	.	.			trans	-63.4	128.9	175.6	-179.5	0	0	0	0	110.6	K55 C56 E57 T58 L60 C70	C53-K55 PolarHBondContact O-N 3.47Å; C53-K55 VanDerWaalsContact O-N 3.08Å; C53-C56 PolarHBondContact O-N 3.49Å; C53-E57 VanDerWaalsContact O-CA 3.24Å; C53-E57 WeakPolarHBondContact O-CA 3.43Å; C53-E57 PolarHBondContact O-N 3.31Å; C53-T58 WeakPolarHBondContact CB-O 3.5Å; C53-T58 PolarHBondContact N-O 2.82Å; C53-L60 HydrophobicContact CB-CD2 3.9Å; C53-L60 HydrophobicContact CB-CG 4.49Å; C53-C70 HydrophobicContact CB-CB 4.12Å; C53-C70 VanDerWaalsContact CB-SG 3.57Å; C53-C70 VanDerWaalsContact SG-SG 3.63Å
54	P	95.1	Very high	95.6	Very high	132 Å²	132	79.3 Å²	79.3	86%	0.857	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.5	-178.9	27	-35.9	0	0	0	114
55	K	94.3	Very high	95.5	Very high	164 Å²	164	77.6 Å²	77.6	71%	0.713	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-41.2	-179	-177.2	178	175.6	-172.1	0	113.5	C53	C53-K55 PolarHBondContact O-N 3.47Å; C53-K55 VanDerWaalsContact O-N 3.08Å
56	C	93.3	Very high	95.4	Very high	26 Å²	26	76.2 Å²	76.2	18%	0.176	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	5	-171.2	70.3	0	0	0	0	114	C53 T58 C73	C53-C56 PolarHBondContact O-N 3.49Å; C56-T58 PolarHBondContact O-N 3.06Å; C56-T58 PolarHBondContact O-OG1 3.35Å; C56-T58 PolarHBondContact SG-OG1 3.48Å; C56-C73 PolarHBondContact SG-SG 3.45Å
57	E	94.9	Very high	95.3	Very high	166 Å²	166	80.1 Å²	80.1	78%	0.776	42%	0.421	S	S	*	.			trans	60.4	8.2	176.6	-58.5	173.3	177.7	0	0	114.9	C53	C53-E57 VanDerWaalsContact O-CA 3.24Å; C53-E57 WeakPolarHBondContact O-CA 3.43Å; C53-E57 PolarHBondContact O-N 3.31Å
58	T	94.7	Very high	95.2	Very high	19 Å²	19	78.6 Å²	78.6	12%	0.117	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-74.9	141.6	174.6	-57.4	0	0	0	0	110.4	I34 M38 C53 C56 L60 A72	I34-T58 HydrophobicContact CG2-CG2 3.82Å; M38-T58 HydrophobicContact CE-CG2 3.29Å; C53-T58 WeakPolarHBondContact CB-O 3.5Å; C53-T58 PolarHBondContact N-O 2.82Å; C56-T58 PolarHBondContact O-N 3.06Å; C56-T58 PolarHBondContact O-OG1 3.35Å; C56-T58 PolarHBondContact SG-OG1 3.48Å; T58-L60 PolarHBondContact O-N 3.28Å; T58-A72 HydrophobicContact CG2-CB 3.91Å; T58-A72 WeakPolarHBondContact OG1-CB 3.41Å
59	I	96.2	Very high	95.2	Very high	76 Å²	76	76 Å²	76	39%	0.39	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	135.2	179.6	-61.2	167.2	0	0	0	111.3	M48 L49 F61	M48-I59 HydrophobicContact CG-CG2 3.44Å; M48-I59 VanDerWaalsContact CG-CG2 3.44Å; M48-I59 HydrophobicContact SD-CD1 4.2Å; M48-I59 HydrophobicContact SD-CG2 4.18Å; L49-I59 WeakPolarHBondContact O-CG2 3.24Å; I59-F61 HydrophobicContact CG2-CE2 4.47Å
60	L	96.8	Very high	95.2	Very high	19 Å²	19	75 Å²	75	10%	0.099	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	148.4	176.2	-67.9	176.5	0	0	0	111.9	L49 E51 C53 T58 C70	L49-L60 HydrophobicContact CB-CB 4.44Å; L49-L60 WeakPolarHBondContact CB-O 3.38Å; L49-L60 HydrophobicContact CD1-CB 4.08Å; L49-L60 PolarHBondContact N-O 2.99Å; E51-L60 HydrophobicContact CB-CD1 4.1Å; E51-L60 PolarHBondContact O-N 2.89Å; C53-L60 HydrophobicContact CB-CD2 3.9Å; C53-L60 HydrophobicContact CB-CG 4.49Å; T58-L60 PolarHBondContact O-N 3.28Å; L60-C70 HydrophobicContact CD2-CB 3.8Å
61	F	97	Very high	95.2	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	143.9	175.7	-82.4	-114.8	0	0	0	110	M38 L42 W46 R47 M48 I59 Y68 Y69 V71	M38-F61 HydrophobicContact CB-CZ 4.06Å; M38-F61 HydrophobicContact CE-CD2 4.1Å; M38-F61 HydrophobicContact CE-CE2 3.6Å; M38-F61 HydrophobicContact CE-CZ 4.48Å; M38-F61 HydrophobicContact CG-CE2 4.16Å; M38-F61 HydrophobicContact CG-CZ 4.15Å; M38-F61 HydrophobicContact SD-CD2 3.8Å; M38-F61 HydrophobicContact SD-CE1 4.44Å; M38-F61 HydrophobicContact SD-CE2 3.07Å; M38-F61 WeakPolarHBondContact SD-CE2 3.44Å; M38-F61 HydrophobicContact SD-CZ 3.44Å; M38-F61 WeakPolarHBondContact SD-CZ 3.07Å; L42-F61 HydrophobicContact CD2-CE1 3.83Å; L42-F61 HydrophobicContact CD2-CZ 4.36Å; L42-F61 HydrophobicContact CG-CE1 3.98Å; L42-F61 HydrophobicContact CG-CZ 4.37Å; W46-F61 HydrophobicContact CB-CD1 4Å; W46-F61 HydrophobicContact CE3-CB 4.06Å; R47-F61 CarbonylContact O-C 3.52Å; R47-F61 WeakPolarHBondContact O-CA 3.31Å; M48-F61 HydrophobicContact CB-CE1 4.24Å; M48-F61 HydrophobicContact CB-CE2 4.36Å; M48-F61 HydrophobicContact CB-CZ 4.07Å; M48-F61 HydrophobicContact CE-CE1 4.45Å; M48-F61 HydrophobicContact CE-CE2 3.99Å; M48-F61 HydrophobicContact CE-CZ 3.5Å; M48-F61 VanDerWaalsContact CE-CZ 3.5Å; M48-F61 HydrophobicContact CG-CE2 4.04Å; M48-F61 HydrophobicContact CG-CZ 4.1Å; I59-F61 HydrophobicContact CG2-CE2 4.47Å; F61-Y68 CarbonylContact O-C 3.48Å; F61-Y68 WeakPolarHBondContact O-CA 3.38Å; F61-Y69 PolarHBondContact N-O 3.45Å; F61-Y69 PolarHBondContact O-N 2.95Å; F61-V71 HydrophobicContact CD2-CG2 4.27Å
62	Q	96.8	Very high	95.1	Very high	45 Å²	45	62 Å²	62	21%	0.21	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.8	169.5	-178.3	172.8	50.2	0	0	109.4	R47 L49 G66 Q67 Y68	R47-Q62 HydrophobicContact CB-CB 4.29Å; R47-Q62 PolarHBondContact N-O 3.5Å; R47-Q62 PolarHBondContact O-N 3.23Å; L49-Q62 HydrophobicContact CD1-CB 4.21Å; L49-Q62 HydrophobicContact CD2-CB 4Å; L49-Q62 HydrophobicContact CG-CB 4.23Å; Q62-G66 PolarHBondContact NE2-O 2.74Å; Q62-Q67 WeakPolarHBondContact CA-O 3.48Å; Q62-Y68 HydrophobicContact CB-CD1 4.43Å
63	Q	95.2	Very high	95	Very high	38 Å²	38	59.1 Å²	59.1	18%	0.178	31%	0.311	C	S	.	.			trans	-68.9	161.4	171.7	-71.9	-174.4	22.3	0	0	111.1	W46 N65 G66 Q67	W46-Q63 HydrophobicContact CD2-CG 4.15Å; W46-Q63 HydrophobicContact CE3-CG 3.95Å; W46-Q63 HydrophobicContact CH2-CG 3.52Å; W46-Q63 HydrophobicContact CZ2-CG 3.72Å; W46-Q63 HydrophobicContact CZ3-CG 3.64Å; Q63-N65 WeakPolarHBondContact CB-OD1 3.37Å; Q63-N65 PolarHBondContact O-N 3.25Å; Q63-N65 VanDerWaalsContact O-N 3.08Å; Q63-N65 PolarHBondContact OE1-ND2 2.95Å; Q63-N65 PolarHBondContact OE1-OD1 3.48Å; Q63-G66 PolarHBondContact O-N 2.99Å; Q63-Q67 PolarHBondContact N-O 3.46Å
64	P	93.2	Very high	94.8	Very high	107 Å²	107	61.8 Å²	61.8	70%	0.695	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-23.3	174.3	-25.8	35.3	0	0	0	114.5	G66	P64-G66 VanDerWaalsContact C-N 3.26Å; P64-G66 PolarHBondContact O-N 2.85Å
65	N	93.6	Very high	94.6	Very high	94 Å²	94	59.2 Å²	59.2	50%	0.503	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-0	174.8	64.3	14.3	0	0	0	113.8	Q63 Q67	Q63-N65 WeakPolarHBondContact CB-OD1 3.37Å; Q63-N65 PolarHBondContact O-N 3.25Å; Q63-N65 VanDerWaalsContact O-N 3.08Å; Q63-N65 PolarHBondContact OE1-ND2 2.95Å; Q63-N65 PolarHBondContact OE1-OD1 3.48Å; N65-Q67 VanDerWaalsContact OD1-CB 3.32Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.36Å; N65-Q67 WeakPolarHBondContact OD1-CG 3.46Å; N65-Q67 PolarHBondContact OD1-N 2.81Å
66	G	93	Very high	94.3	Very high	35 Å²	35	52.3 Å²	52.3	36%	0.361	27%	0.271	S	S	.	.	S	Bend	trans	88.3	-7.9	-179.7	0	0	0	0	0	115.5	Q62 Q63 P64	Q62-G66 PolarHBondContact NE2-O 2.74Å; Q63-G66 PolarHBondContact O-N 2.99Å; P64-G66 VanDerWaalsContact C-N 3.26Å; P64-G66 PolarHBondContact O-N 2.85Å
67	Q	94.3	Very high	94	Very high	123 Å²	123	54.6 Å²	54.6	58%	0.575	28%	0.281	S	S	*	.			trans	-75.7	145.9	-178	-61.9	-177.6	23.7	0	0	112.3	Q62 Q63 N65	Q62-Q67 WeakPolarHBondContact CA-O 3.48Å; Q63-Q67 PolarHBondContact N-O 3.46Å; N65-Q67 VanDerWaalsContact OD1-CB 3.32Å; N65-Q67 WeakPolarHBondContact OD1-CB 3.36Å; N65-Q67 WeakPolarHBondContact OD1-CG 3.46Å; N65-Q67 PolarHBondContact OD1-N 2.81Å
68	Y	95	Very high	93	Very high	134 Å²	134	52.5 Å²	52.5	53%	0.525	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	138.6	176.1	-61.8	-13	0	0	0	111.3	L49 F61 Q62	L49-Y68 HydrophobicContact CD1-CD1 3.62Å; L49-Y68 HydrophobicContact CD1-CE1 3.63Å; L49-Y68 HydrophobicContact CD1-CG 4.12Å; F61-Y68 CarbonylContact O-C 3.48Å; F61-Y68 WeakPolarHBondContact O-CA 3.38Å; Q62-Y68 HydrophobicContact CB-CD1 4.43Å
69	Y	95.8	Very high	91.4	Very high	29 Å²	29	57.8 Å²	57.8	11%	0.114	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	129.1	-170.5	-171.8	-85.7	0	0	0	110.4	W46 F61 V71 L74 E75	W46-Y69 HydrophobicContact CH2-CD1 4.27Å; W46-Y69 HydrophobicContact CH2-CD2 4.27Å; W46-Y69 HydrophobicContact CH2-CE1 4.45Å; W46-Y69 HydrophobicContact CH2-CE2 4.42Å; W46-Y69 HydrophobicContact CH2-CG 4.17Å; W46-Y69 AromaticContact CZ3-CD1 3.54Å; W46-Y69 HydrophobicContact CZ3-CD1 3.54Å; W46-Y69 HydrophobicContact CZ3-CD2 4.17Å; W46-Y69 HydrophobicContact CZ3-CE1 4.02Å; W46-Y69 AromaticContact CZ3-CG 3.61Å; W46-Y69 HydrophobicContact CZ3-CG 3.61Å; F61-Y69 PolarHBondContact N-O 3.45Å; F61-Y69 PolarHBondContact O-N 2.95Å; Y69-V71 HydrophobicContact CD1-CG2 4Å; Y69-V71 HydrophobicContact CE1-CG2 3.99Å; Y69-L74 HydrophobicContact CD1-CD1 4.17Å; Y69-L74 HydrophobicContact CD2-CD1 3.28Å; Y69-L74 HydrophobicContact CE1-CB 4.24Å; Y69-L74 HydrophobicContact CE1-CD1 4.02Å; Y69-L74 HydrophobicContact CE2-CB 4.11Å; Y69-L74 HydrophobicContact CE2-CD1 3.13Å; Y69-L74 HydrophobicContact CE2-CG 4.21Å; Y69-L74 HydrophobicContact CG-CD1 3.83Å; Y69-L74 VanDerWaalsContact CZ-CD1 3.5Å; Y69-L74 WeakPolarHBondContact OH-CB 3.36Å; Y69-E75 WeakPolarHBondContact OH-CG 3.44Å; Y69-E75 PolarHBondContact OH-OE1 2.93Å
70	C	96.2	Very high	89	Confident	10 Å²	10	63.6 Å²	63.6	7%	0.068	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	111.6	174.8	178.9	0	0	0	0	109.9	C53 L60 A72 C73 L74	C53-C70 HydrophobicContact CB-CB 4.12Å; C53-C70 VanDerWaalsContact CB-SG 3.57Å; C53-C70 VanDerWaalsContact SG-SG 3.63Å; L60-C70 HydrophobicContact CD2-CB 3.8Å; C70-A72 PolarHBondContact O-N 3.4Å; C70-C73 HydrophobicContact CB-CB 4.18Å; C70-C73 PolarHBondContact O-N 3Å; C70-C73 PolarHBondContact SG-N 3Å; C70-L74 WeakPolarHBondContact O-CB 3.28Å; C70-L74 WeakPolarHBondContact O-CG 3.26Å; C70-L74 PolarHBondContact O-N 2.98Å; C70-L74 VanDerWaalsContact O-N 3.15Å
71	V	94.8	Very high	86.4	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-63.2	-40.9	-178.5	176.2	0	0	0	0	112	L37 M38 Y41 F61 Y69 E75	L37-V71 HydrophobicContact CB-CG1 3.4Å; L37-V71 HydrophobicContact CD1-CG1 3.81Å; L37-V71 HydrophobicContact CG-CG1 4.24Å; M38-V71 HydrophobicContact CE-CB 3.76Å; M38-V71 HydrophobicContact CE-CG1 4.48Å; M38-V71 HydrophobicContact CE-CG2 4.02Å; M38-V71 HydrophobicContact SD-CB 3.65Å; M38-V71 HydrophobicContact SD-CG1 4.01Å; M38-V71 HydrophobicContact SD-CG2 3.47Å; M38-V71 WeakPolarHBondContact SD-CG2 3.43Å; Y41-V71 HydrophobicContact CD2-CG1 4.29Å; Y41-V71 HydrophobicContact CD2-CG2 3.6Å; Y41-V71 HydrophobicContact CE2-CB 4.42Å; Y41-V71 HydrophobicContact CE2-CG1 3.91Å; Y41-V71 HydrophobicContact CE2-CG2 3.7Å; F61-V71 HydrophobicContact CD2-CG2 4.27Å; Y69-V71 HydrophobicContact CD1-CG2 4Å; Y69-V71 HydrophobicContact CE1-CG2 3.99Å; V71-E75 WeakPolarHBondContact O-CB 3.38Å; V71-E75 PolarHBondContact O-N 3.3Å; V71-E75 VanDerWaalsContact O-N 3.09Å
72	A	94.7	Very high	83.9	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	39%	0.389	C	S	.	.	I	π-helix	trans	-65.7	-46.9	-179.2	0	0	0	0	0	112.6	I34 T58 C70 I76 D77	I34-A72 HydrophobicContact CD1-CB 3.73Å; I34-A72 HydrophobicContact CG1-CB 3.95Å; T58-A72 HydrophobicContact CG2-CB 3.91Å; T58-A72 WeakPolarHBondContact OG1-CB 3.41Å; C70-A72 PolarHBondContact O-N 3.4Å; A72-I76 WeakPolarHBondContact O-CB 3.4Å; A72-I76 PolarHBondContact O-N 3.29Å; A72-D77 PolarHBondContact O-N 3.12Å
73	C	93.6	Very high	81.2	Confident	13 Å²	13	79 Å²	79	9%	0.088	42%	0.416	C	S	.	.	I	π-helix	trans	-74.6	-27.6	-176	-72.1	0	0	0	0	114.2	C56 C70 Q78	C56-C73 PolarHBondContact SG-SG 3.45Å; C70-C73 HydrophobicContact CB-CB 4.18Å; C70-C73 PolarHBondContact O-N 3Å; C70-C73 PolarHBondContact SG-N 3Å; C73-Q78 VanDerWaalsContact O-CG 3.29Å; C73-Q78 WeakPolarHBondContact O-CG 3.48Å; C73-Q78 PolarHBondContact O-NE2 3.49Å
74	L	91.5	Very high	79.3	Confident	68 Å²	68	84 Å²	84	36%	0.356	44%	0.443	S	S	.	.	I	π-helix	trans	-95.7	-33.8	-174	-64.6	173.4	0	0	0	112.5	Y69 C70	Y69-L74 HydrophobicContact CD1-CD1 4.17Å; Y69-L74 HydrophobicContact CD2-CD1 3.28Å; Y69-L74 HydrophobicContact CE1-CB 4.24Å; Y69-L74 HydrophobicContact CE1-CD1 4.02Å; Y69-L74 HydrophobicContact CE2-CB 4.11Å; Y69-L74 HydrophobicContact CE2-CD1 3.13Å; Y69-L74 HydrophobicContact CE2-CG 4.21Å; Y69-L74 HydrophobicContact CG-CD1 3.83Å; Y69-L74 VanDerWaalsContact CZ-CD1 3.5Å; Y69-L74 WeakPolarHBondContact OH-CB 3.36Å; C70-L74 WeakPolarHBondContact O-CB 3.28Å; C70-L74 WeakPolarHBondContact O-CG 3.26Å; C70-L74 PolarHBondContact O-N 2.98Å; C70-L74 VanDerWaalsContact O-N 3.15Å
75	E	90.8	Very high	76.8	Confident	77 Å²	77	88.1 Å²	88.1	36%	0.36	45%	0.449	S	S	.	.	I	π-helix	trans	-102.8	-32.6	-176	-61.1	-69.4	170.3	0	0	112.9	L37 Y41 Y69 V71 E79	L37-E75 HydrophobicContact CD1-CB 3.65Å; L37-E75 HydrophobicContact CD1-CG 4.24Å; Y41-E75 WeakPolarHBondContact OH-CG 3.49Å; Y41-E75 PolarHBondContact OH-OE1 2.94Å; Y69-E75 WeakPolarHBondContact OH-CG 3.44Å; Y69-E75 PolarHBondContact OH-OE1 2.93Å; V71-E75 WeakPolarHBondContact O-CB 3.38Å; V71-E75 PolarHBondContact O-N 3.3Å; V71-E75 VanDerWaalsContact O-N 3.09Å; E75-E79 WeakPolarHBondContact O-CG 3.35Å
76	I	89.2	Confident	74.6	Confident	19 Å²	19	92 Å²	92	10%	0.097	46%	0.464	C	S	.	.	I	π-helix	trans	-105.1	-50	-170.3	-59	170.8	0	0	0	111.5	R30 K33 I34 L37 A72 Q78	R30-I76 HydrophobicContact CG-CG2 4.2Å; K33-I76 HydrophobicContact CB-CD1 3.77Å; K33-I76 HydrophobicContact CB-CG1 4.34Å; K33-I76 HydrophobicContact CD-CG2 4.43Å; I34-I76 HydrophobicContact CB-CD1 4.07Å; I34-I76 HydrophobicContact CD1-CD1 4.35Å; I34-I76 HydrophobicContact CG1-CD1 3.21Å; L37-I76 HydrophobicContact CD1-CD1 4.14Å; L37-I76 HydrophobicContact CD1-CG1 3.97Å; A72-I76 WeakPolarHBondContact O-CB 3.4Å; A72-I76 PolarHBondContact O-N 3.29Å; I76-Q78 PolarHBondContact O-N 2.89Å
77	D	86.2	Confident	72.1	Confident	74 Å²	74	95.9 Å²	95.9	40%	0.396	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-8.8	-176.9	-56.6	-32.4	0	0	0	112.1	R30 A72	R30-D77 IonicContact CZ-OD1 3.48Å; R30-D77 IonicContact CZ-OD2 3.91Å; R30-D77 IonicContact NE-OD1 2.95Å; R30-D77 PolarHBondContact NE-OD1 2.91Å; R30-D77 IonicContact NH2-OD1 3.11Å; R30-D77 PolarHBondContact NH2-OD1 3.33Å; R30-D77 VanDerWaalsContact NH2-OD1 3.11Å; R30-D77 IonicContact NH2-OD2 2.85Å; R30-D77 PolarHBondContact NH2-OD2 3.19Å; A72-D77 PolarHBondContact O-N 3.12Å
78	Q	75.4	Confident	70	Confident	122 Å²	122	97.2 Å²	97.2	57%	0.57	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	4.2	179.5	-79.5	-178	39.6	0	0	115.1	C73 I76 K80	C73-Q78 VanDerWaalsContact O-CG 3.29Å; C73-Q78 WeakPolarHBondContact O-CG 3.48Å; C73-Q78 PolarHBondContact O-NE2 3.49Å; I76-Q78 PolarHBondContact O-N 2.89Å; Q78-K80 PolarHBondContact O-N 3.27Å
79	E	59.9	Low	67.8	Low	131 Å²	131	99.1 Å²	99.1	61%	0.612	51%	0.512	S	S	*	.			trans	-71.2	62.8	179	-66.1	-177.7	161.1	0	0	113.1	K33 E75	K33-E79 IonicContact NZ-OE2 3.12Å; K33-E79 PolarHBondContact NZ-OE2 2.93Å; K33-E79 VanDerWaalsContact NZ-OE2 3.12Å; E75-E79 WeakPolarHBondContact O-CG 3.35Å
80	K	45.5	Very low	65	Low	197 Å²	197	100.6 Å²	100.6	86%	0.857	54%	0.536	S	S	*	.			trans	173.5	135.4	153.2	-110.5	170.2	177.6	172.2	0	109.7	Q78	Q78-K80 PolarHBondContact O-N 3.27Å
81	P	42.9	Very low	62.7	Low	110 Å²	110	107.5 Å²	107.5	71%	0.714	57%	0.573	S	S	*	*	S	Bend	cis	-126.2	140	9	37.5	-21.2	0	0	0	113.4
82	N	43.6	Very low	60.5	Low	166 Å²	166	114.4 Å²	114.4	89%	0.888	61%	0.605	S	S	*	*			trans	-174.7	76.4	147.5	-86.4	-24.8	0	0	0	109.6
83	S	41	Very low	58.1	Low	112 Å²	112	124.1 Å²	124.1	78%	0.783	64%	0.641	S	S	*	*			trans	-79.9	133.3	151	-160.4	0	0	0	0	106.4
84	I	54.3	Low	56.1	Low	144 Å²	144	130.3 Å²	130.3	74%	0.738	67%	0.673	S	S	*	*			trans	79.9	102.8	171.2	-37.3	169.1	0	0	0	115.6
85	K	42.5	Very low	54.3	Low	192 Å²	192	134.2 Å²	134.2	84%	0.835	69%	0.694	S	S	*	*				162.2	93.6	123.6	-83.6	167	-163.6	-175.9	0	110.5
86	E	45.8	Very low	52	Low	175 Å²	175	137.6 Å²	137.6	82%	0.818	71%	0.714	S	S	*	*			trans	-119.3	108.8	144	-129.4	-172.7	173	0	0	107
87	P	41.6	Very low	49.9	Very low	117 Å²	117	145.1 Å²	145.1	76%	0.76	75%	0.746	S	S	*	*			trans	-92.8	95.6	174.7	32.2	-24.1	0	0	0	109
88	L	48.8	Very low	48	Very low	151 Å²	151	146 Å²	146	79%	0.791	76%	0.758	S	S	*	*			trans	-93.8	102.7	161.6	-101.9	99.5	0	0	0	110.4
89	L	48.8	Very low	46.5	Very low	175 Å²	175	148.2 Å²	148.2	92%	0.916	77%	0.768	S	S	*	*			trans	-45.3	137.9	159.2	-136.8	77.5	0	0	0	111.3
90	G	38	Very low	45.5	Very low	60 Å²	60	149 Å²	149	62%	0.619	78%	0.777	S	S	*	*			trans	135.7	90.7	153.3	0	0	0	0	0	117
91	N	47.4	Very low	45.1	Very low	155 Å²	155	148.5 Å²	148.5	83%	0.829	78%	0.775	S	S	*	*			trans	71.1	87.1	139.1	-53.9	-17.3	0	0	0	118.4
92	Q	48.9	Very low	44.8	Very low	145 Å²	145	147 Å²	147	68%	0.678	77%	0.767	S	S	*	*				28.9	130	121.5	-58.2	-166.4	41.3	0	0	119.1
93	R	44.7	Very low	44.3	Very low	203 Å²	203	144 Å²	144	77%	0.766	76%	0.755	S	S	*	*				86.6	108.6	129.1	-86.3	176.5	-169.5	172.4	5	118
94	L	51.9	Low	44.2	Very low	144 Å²	144	146.7 Å²	146.7	75%	0.754	76%	0.755	S	S	*	*				109.4	135.7	123.7	-69.5	-176.6	0	0	0	119.3
95	L	52.3	Low	43.7	Very low	150 Å²	150	144.7 Å²	144.7	79%	0.785	75%	0.754	S	S	*	*			trans	73.5	102	155.4	-87.2	73.7	0	0	0	117.1
96	N	44.3	Very low	44.1	Very low	148 Å²	148	140.7 Å²	140.7	79%	0.791	75%	0.75	S	S	*	*				78	110.7	70.4	-154.1	29.8	0	0	0	113.6
97	K	44.1	Very low	44	Very low	176 Å²	176	136.4 Å²	136.4	77%	0.765	74%	0.738	S	S	*	*			trans	81.3	112.7	138	-152.6	161.6	-178.5	178	0	120.4
98	S	46.4	Very low	43.7	Very low	92 Å²	92	138.2 Å²	138.2	64%	0.643	73%	0.734	S	S	*	*			trans	56.8	119.8	135.7	-55	0	0	0	0	119.5
99	Q	44.7	Very low	43.4	Very low	169 Å²	169	141 Å²	141	79%	0.79	73%	0.734	S	S	*	*				164.5	108.3	114.1	-87.1	170.8	7.8	0	0	106.3
100	N	38.6	Very low	43.3	Very low	149 Å²	149	137.9 Å²	137.9	80%	0.797	72%	0.718	S	S	*	*				82.3	149.4	105.5	-72.5	-19.5	0	0	0	112.8
101	F	35.9	Very low	43.3	Very low	186 Å²	186	142.7 Å²	142.7	82%	0.816	73%	0.73	S	S	*	*			trans	106.2	94.2	144.7	-147	-100.4	0	0	0	115.2
102	S	37.2	Very low	43.5	Very low	79 Å²	79	141.5 Å²	141.5	55%	0.552	73%	0.727	S	S	*	*			trans	66.2	143.6	132.6	-42.6	0	0	0	0	115
103	T	32.5	Very low	43.1	Very low	102 Å²	102	141.4 Å²	141.4	63%	0.626	73%	0.732	S	S	*	*			cis	-172.8	161.9	39	-33.8	0	0	0	0	106.3
104	E	40.1	Very low	43.2	Very low	168 Å²	168	138.4 Å²	138.4	79%	0.785	73%	0.729	S	S	*	*			trans	79.3	101.1	149.7	-74.3	151.6	-160.5	0	0	116.8
105	S	43.6	Very low	42.5	Very low	103 Å²	103	135.2 Å²	135.2	72%	0.72	73%	0.731	S	S	*	*				113.8	108.3	69.2	58.6	0	0	0	0	106.2
106	S	50.3	Low	41.9	Very low	107 Å²	107	135.6 Å²	135.6	75%	0.748	73%	0.733	S	S	*	*				33.6	150.9	66.9	-163	0	0	0	0	113.7
107	P	43.1	Very low	41.9	Very low	86 Å²	86	135.5 Å²	135.5	56%	0.558	73%	0.732	S	S	*	*			cis	-118	-175.8	-27.6	21.3	1.7	0	0	0	108.7
108	F	36.9	Very low	42.2	Very low	155 Å²	155	137 Å²	137	68%	0.68	74%	0.739	S	S	*	*				169.3	104	107	-89.4	-74.3	0	0	0	105.6	N110	F108-N110 WeakPolarHBondContact CD1-OD1 3.39Å; F108-N110 WeakPolarHBondContact CG-OD1 3.36Å
109	R	41.3	Very low	42	Very low	209 Å²	209	141.1 Å²	141.1	79%	0.789	75%	0.745	S	S	*	*				-17.6	102.4	99.7	-63.9	-172.1	-170.9	-119.1	0.4	112.8
110	N	46.7	Very low	42.1	Very low	109 Å²	109	142.3 Å²	142.3	58%	0.583	75%	0.748	S	S	*	*			trans	-123.2	94.9	162.1	-82.3	-22.1	0	0	0	107.2	F108 V112	F108-N110 WeakPolarHBondContact CD1-OD1 3.39Å; F108-N110 WeakPolarHBondContact CG-OD1 3.36Å; N110-V112 HydrophobicContact CB-CG2 4.14Å; N110-V112 PolarHBondContact O-N 2.97Å
111	D	38.8	Very low	42.3	Very low	162 Å²	162	141.2 Å²	141.2	87%	0.866	75%	0.747	S	S	*	*			trans	-55.8	117.2	139.8	-70.7	-68.7	0	0	0	106.8
112	V	51.7	Low	42.9	Very low	129 Å²	129	139.3 Å²	139.3	78%	0.782	75%	0.745	S	S	*	*			trans	-120.7	103.2	163.6	178.2	0	0	0	0	106.9	N110	N110-V112 HydrophobicContact CB-CG2 4.14Å; N110-V112 PolarHBondContact O-N 2.97Å
113	D	40.6	Very low	43.1	Very low	143 Å²	143	140.3 Å²	140.3	77%	0.765	75%	0.75	S	S	*	*			trans	-58.1	174.4	162.3	-163	4	0	0	0	111.4
114	I	46.1	Very low	43.6	Very low	141 Å²	141	143.2 Å²	143.2	72%	0.723	76%	0.756	S	S	*	*			trans	98.3	64.3	175.4	-45.2	162.2	0	0	0	112.9	L116	I114-L116 PolarHBondContact O-N 3.21Å
115	G	37.4	Very low	43.8	Very low	77 Å²	77	142.1 Å²	142.1	79%	0.794	75%	0.753	S	S	*	*			trans	-61.3	121	140.2	0	0	0	0	0	109.9
116	L	40.6	Very low	43.9	Very low	158 Å²	158	146.2 Å²	146.2	83%	0.827	76%	0.758	S	S	*	*			trans	-103.8	100.6	161.7	-164.9	73.4	0	0	0	108.7	I114	I114-L116 PolarHBondContact O-N 3.21Å
117	L	42.4	Very low	43.1	Very low	146 Å²	146	146.7 Å²	146.7	76%	0.764	76%	0.758	S	S	*	*			trans	62.5	87.3	136.9	-159.9	73	0	0	0	118.5
118	K	51.9	Low	42.7	Very low	208 Å²	208	151.3 Å²	151.3	90%	0.904	77%	0.772	S	S	*	*			trans	-140.9	82.7	134.2	-70	-165.5	-179.3	174.8	0	110.9
119	K	41.3	Very low	42.8	Very low	177 Å²	177	148.4 Å²	148.4	77%	0.77	77%	0.771	S	S	*	*			trans	5.2	110	143.6	-177	178.6	-174.9	178.1	0	115.6
120	F	46.9	Very low	42.8	Very low	195 Å²	195	145.1 Å²	145.1	86%	0.855	77%	0.769	S	S	*	*			trans	-165	104.4	136.2	-81.9	-66	0	0	0	109
121	T	42.8	Very low	42.3	Very low	126 Å²	126	146.1 Å²	146.1	77%	0.773	77%	0.774	S	S	*	*			trans	0.7	143.9	146.7	44.3	0	0	0	0	118
122	D	48.5	Very low	42.2	Very low	145 Å²	145	147.2 Å²	147.2	78%	0.775	77%	0.771	S	S	*	*			cis	-174.9	-177.7	-6.2	-144.8	-23.3	0	0	0	104.8
123	P	42	Very low	41.5	Very low	101 Å²	101	148.5 Å²	148.5	66%	0.656	77%	0.769	S	S	*	*				-122.2	163.8	-111.6	41.7	-25.6	0	0	0	115.6
124	Q	43.1	Very low	41.4	Very low	162 Å²	162	147.5 Å²	147.5	76%	0.757	77%	0.768	S	S	*	*				172.3	129.9	123	-93.4	-149.2	67.2	0	0	115.3
125	M	44.1	Very low	41.3	Very low	146 Å²	146	146.5 Å²	146.5	72%	0.719	77%	0.773	S	S	*	*			trans	85.6	99.3	140.3	-76.4	-169.9	141.3	0	0	123.7
126	K	45.1	Very low	41.8	Very low	189 Å²	189	146.2 Å²	146.2	82%	0.822	76%	0.756	S	S	*	*				87.2	123.3	118.1	-120.3	171.1	-174.4	176.8	0	121
127	P	33	Very low	42.6	Very low	116 Å²	116	142.9 Å²	142.9	75%	0.753	74%	0.739	S	S	*	*			trans	-110.1	159.7	175.9	39.8	-29.7	0	0	0	115
128	H	36.2	Very low	43.3	Very low	183 Å²	183	138.7 Å²	138.7	85%	0.847	73%	0.726	S	S	*	*			trans	-157	113.6	161.4	-110.3	-90	0	0	0	107.2
129	S	38.1	Very low	43.6	Very low	94 Å²	94	133.1 Å²	133.1	66%	0.657	71%	0.712	S	S	*	*				62.5	131.4	95	-147.1	0	0	0	0	116.4
130	D	40.6	Very low	45.2	Very low	140 Å²	140	129.1 Å²	129.1	75%	0.749	70%	0.699	S	S	*	*			trans	103.3	93.9	156.3	-49.5	-30.2	0	0	0	119.9
131	N	36.7	Very low	46.6	Very low	130 Å²	130	122 Å²	122	70%	0.695	67%	0.668	S	S	*	*				25.2	126.9	123.7	-96.5	-19.1	0	0	0	119.7
132	K	36.8	Very low	48.4	Very low	186 Å²	186	119.9 Å²	119.9	81%	0.809	65%	0.651	S	S	*	*			trans	78.9	84.1	130	-161.2	-172.4	-171.3	-165.5	0	118
133	Q	36.9	Very low	49.9	Very low	155 Å²	155	116.3 Å²	116.3	72%	0.724	64%	0.638	S	S	*	*			trans	164.2	108.9	135.5	-96.9	160.6	-6.3	0	0	110.3
134	T	38.2	Very low	52	Low	123 Å²	123	115.5 Å²	115.5	76%	0.755	63%	0.627	S	S	*	*			trans	-137	-9	172.5	-39.3	0	0	0	0	114
135	S	45	Very low	54	Low	119 Å²	119	109.6 Å²	109.6	83%	0.832	60%	0.6	S	S	*	*	S	Bend	trans	-88.5	-1.7	179	-55.3	0	0	0	0	115.4
136	T	47.6	Very low	56	Low	71 Å²	71	106 Å²	106	44%	0.436	59%	0.587	S	S	.	*	S	Bend	trans	-87.9	-22.3	179.4	50.3	0	0	0	0	113.6	N140	T136-N140 VanDerWaalsContact O-CG 3.3Å; T136-N140 PolarHBondContact O-ND2 2.82Å
137	N	57.4	Low	58	Low	89 Å²	89	101.5 Å²	101.5	48%	0.476	57%	0.569	S	S	.	*	H	α-helix	trans	-79.3	-37.6	-170.2	-68.1	-19.8	0	0	0	113.3	C139 N140 E141	N137-C139 VanDerWaalsContact C-N 3.31Å; N137-C139 PolarHBondContact O-N 3.09Å; N137-N140 PolarHBondContact O-N 2.71Å; N137-E141 PolarHBondContact O-N 3.3Å
138	A	57.7	Low	60.8	Low	58 Å²	58	97 Å²	97	48%	0.479	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-36	-179.8	0	0	0	0	0	112.5	I142	A138-I142 WeakPolarHBondContact O-CD1 3.46Å; A138-I142 VanDerWaalsContact O-CG1 3.25Å; A138-I142 WeakPolarHBondContact O-CG1 3.48Å; A138-I142 PolarHBondContact O-N 3.15Å; A138-I142 VanDerWaalsContact O-N 3.1Å
139	C	56.7	Low	63.3	Low	91 Å²	91	96 Å²	96	62%	0.615	53%	0.527	S	S	*	.	H	α-helix	trans	-67.5	-40.7	176.3	-163.9	0	0	0	0	111.3	N137 I142 S143	N137-C139 VanDerWaalsContact C-N 3.31Å; N137-C139 PolarHBondContact O-N 3.09Å; C139-I142 PolarHBondContact O-N 3.02Å; C139-S143 WeakPolarHBondContact O-CB 3.41Å; C139-S143 PolarHBondContact O-N 3.45Å
140	N	76.4	Confident	65.7	Low	92 Å²	92	96.1 Å²	96.1	49%	0.492	52%	0.52	S	S	.	.	H	α-helix	trans	-66.5	-42.4	177.3	-66	-13.1	0	0	0	111.6	T136 N137 S143 I144	T136-N140 VanDerWaalsContact O-CG 3.3Å; T136-N140 PolarHBondContact O-ND2 2.82Å; N137-N140 PolarHBondContact O-N 2.71Å; N140-S143 WeakPolarHBondContact O-CB 3.45Å; N140-S143 PolarHBondContact O-N 3.37Å; N140-I144 VanDerWaalsContact O-CG1 3.26Å; N140-I144 WeakPolarHBondContact O-CG1 3.48Å; N140-I144 PolarHBondContact O-N 2.93Å
141	E	76	Confident	68	Low	45 Å²	45	93.9 Å²	93.9	21%	0.21	50%	0.504	C	S	.	.	H	α-helix	trans	-63	-43.2	177.5	-76.3	176.2	157.4	0	0	111.5	N137 S143 I144 L145 N189 K192	N137-E141 PolarHBondContact O-N 3.3Å; E141-S143 VanDerWaalsContact C-N 3.34Å; E141-S143 PolarHBondContact O-N 2.94Å; E141-I144 PolarHBondContact O-N 3.36Å; E141-L145 WeakPolarHBondContact O-CG 3.41Å; E141-L145 PolarHBondContact O-N 3.11Å; E141-N189 PolarHBondContact OE2-OD1 3.14Å; E141-N189 VanDerWaalsContact OE2-OD1 3.08Å; E141-K192 IonicContact OE1-NZ 2.91Å; E141-K192 PolarHBondContact OE1-NZ 3.33Å
142	I	80.4	Confident	70.6	Confident	82 Å²	82	88.4 Å²	88.4	42%	0.421	47%	0.474	S	S	.	.	H	α-helix	trans	-61.1	-44	173.9	-65.4	165.4	0	0	0	110.5	A138 C139 I144 L145 T146	A138-I142 WeakPolarHBondContact O-CD1 3.46Å; A138-I142 VanDerWaalsContact O-CG1 3.25Å; A138-I142 WeakPolarHBondContact O-CG1 3.48Å; A138-I142 PolarHBondContact O-N 3.15Å; A138-I142 VanDerWaalsContact O-N 3.1Å; C139-I142 PolarHBondContact O-N 3.02Å; I142-I144 VanDerWaalsContact C-N 3.31Å; I142-I144 PolarHBondContact O-N 2.95Å; I142-L145 PolarHBondContact O-N 2.85Å; I142-T146 WeakPolarHBondContact O-CG2 3.47Å; I142-T146 PolarHBondContact O-N 2.88Å; I142-T146 PolarHBondContact O-OG1 3.34Å
143	S	80.6	Confident	73.1	Confident	70 Å²	70	85.4 Å²	85.4	49%	0.49	46%	0.463	S	S	.	.	H	α-helix	trans	-62.6	-35.5	177.7	-171.2	0	0	0	0	113.2	C139 N140 E141 T146 E147	C139-S143 WeakPolarHBondContact O-CB 3.41Å; C139-S143 PolarHBondContact O-N 3.45Å; N140-S143 WeakPolarHBondContact O-CB 3.45Å; N140-S143 PolarHBondContact O-N 3.37Å; E141-S143 VanDerWaalsContact C-N 3.34Å; E141-S143 PolarHBondContact O-N 2.94Å; S143-T146 WeakPolarHBondContact CA-OG1 3.25Å; S143-T146 PolarHBondContact O-OG1 3.5Å; S143-E147 PolarHBondContact O-N 3.4Å; S143-E147 VanDerWaalsContact O-N 3.14Å
144	I	84.9	Confident	75.6	Confident	85 Å²	85	84.9 Å²	84.9	44%	0.436	45%	0.454	S	S	.	.	H	α-helix	trans	-70.4	-42	176.4	-68.3	163.2	0	0	0	110.2	N140 E141 I142 T146 E147 L148 L185	N140-I144 VanDerWaalsContact O-CG1 3.26Å; N140-I144 WeakPolarHBondContact O-CG1 3.48Å; N140-I144 PolarHBondContact O-N 2.93Å; E141-I144 PolarHBondContact O-N 3.36Å; I142-I144 VanDerWaalsContact C-N 3.31Å; I142-I144 PolarHBondContact O-N 2.95Å; I144-T146 VanDerWaalsContact C-N 3.35Å; I144-E147 PolarHBondContact O-N 3.44Å; I144-L148 HydrophobicContact CG2-CD1 3.95Å; I144-L148 HydrophobicContact CG2-CG 4.42Å; I144-L148 WeakPolarHBondContact O-CB 3.29Å; I144-L148 WeakPolarHBondContact O-CG 3.37Å; I144-L148 PolarHBondContact O-N 2.89Å; I144-L185 HydrophobicContact CG2-CD1 3.87Å
145	L	85.6	Confident	78	Confident	37 Å²	37	79.2 Å²	79.2	19%	0.194	42%	0.42	C	S	.	.	H	α-helix	trans	-64.5	-38.1	176.9	-71.5	174.5	0	0	0	112.1	E141 I142 R149 W182 L185	E141-L145 WeakPolarHBondContact O-CG 3.41Å; E141-L145 PolarHBondContact O-N 3.11Å; I142-L145 PolarHBondContact O-N 2.85Å; L145-R149 WeakPolarHBondContact O-CB 3.36Å; L145-R149 PolarHBondContact O-N 3.33Å; L145-W182 WeakPolarHBondContact O-CZ3 3.32Å; L145-L185 HydrophobicContact CD2-CB 3.97Å; L145-L185 HydrophobicContact CD2-CD1 4.05Å
146	T	85.8	Confident	80.1	Confident	70 Å²	70	78 Å²	78	43%	0.429	40%	0.402	S	S	.	.	H	α-helix	trans	-64.6	-47	174.7	52	0	0	0	0	111.4	I142 S143 I144 L148 R149 D150	I142-T146 WeakPolarHBondContact O-CG2 3.47Å; I142-T146 PolarHBondContact O-N 2.88Å; I142-T146 PolarHBondContact O-OG1 3.34Å; S143-T146 WeakPolarHBondContact CA-OG1 3.25Å; S143-T146 PolarHBondContact O-OG1 3.5Å; I144-T146 VanDerWaalsContact C-N 3.35Å; T146-L148 VanDerWaalsContact C-N 3.34Å; T146-L148 PolarHBondContact O-N 3.41Å; T146-R149 VanDerWaalsContact O-CB 3.29Å; T146-R149 WeakPolarHBondContact O-CB 3.4Å; T146-R149 PolarHBondContact O-N 3.39Å; T146-R149 VanDerWaalsContact O-N 3.12Å; T146-D150 VanDerWaalsContact O-CG 3.31Å; T146-D150 PolarHBondContact O-N 2.95Å
147	E	88.1	Confident	82	Confident	96 Å²	96	76.8 Å²	76.8	45%	0.449	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-40.5	178	-178.6	64.3	-150.4	0	0	111.9	S143 I144 R149 D150 K151	S143-E147 PolarHBondContact O-N 3.4Å; S143-E147 VanDerWaalsContact O-N 3.14Å; I144-E147 PolarHBondContact O-N 3.44Å; E147-R149 VanDerWaalsContact C-N 3.3Å; E147-R149 PolarHBondContact O-N 3.04Å; E147-D150 PolarHBondContact O-N 3.12Å; E147-K151 WeakPolarHBondContact O-CG 3.44Å; E147-K151 PolarHBondContact O-N 2.99Å; E147-K151 VanDerWaalsContact OE1-CE 3.32Å; E147-K151 WeakPolarHBondContact OE1-CE 3.38Å; E147-K151 IonicContact OE1-NZ 2.71Å; E147-K151 PolarHBondContact OE1-NZ 3.44Å
148	L	90.5	Very high	83.4	Confident	20 Å²	20	74.5 Å²	74.5	11%	0.105	38%	0.383	C	S	.	.	H	α-helix	trans	-62.7	-38.1	174.7	-79.4	170.7	0	0	0	112	I144 T146 D150 K151 I152 L178 W182 L185	I144-L148 HydrophobicContact CG2-CD1 3.95Å; I144-L148 HydrophobicContact CG2-CG 4.42Å; I144-L148 WeakPolarHBondContact O-CB 3.29Å; I144-L148 WeakPolarHBondContact O-CG 3.37Å; I144-L148 PolarHBondContact O-N 2.89Å; T146-L148 VanDerWaalsContact C-N 3.34Å; T146-L148 PolarHBondContact O-N 3.41Å; L148-D150 VanDerWaalsContact C-N 3.33Å; L148-K151 PolarHBondContact O-N 2.91Å; L148-I152 VanDerWaalsContact O-CG1 3.26Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 2.96Å; L148-L178 HydrophobicContact CD2-CD2 3.88Å; L148-W182 HydrophobicContact CB-CE3 4.17Å; L148-W182 HydrophobicContact CB-CZ3 4.43Å; L148-L185 HydrophobicContact CD1-CD1 3.2Å
149	R	88.9	Confident	84.6	Confident	163 Å²	163	73.9 Å²	73.9	62%	0.615	37%	0.371	S	S	*	.	H	α-helix	trans	-61.5	-47.1	176.9	-168.9	-171.4	177.4	-170.8	-1	110.4	L145 T146 E147 K151 I152 H153 W182	L145-R149 WeakPolarHBondContact O-CB 3.36Å; L145-R149 PolarHBondContact O-N 3.33Å; T146-R149 VanDerWaalsContact O-CB 3.29Å; T146-R149 WeakPolarHBondContact O-CB 3.4Å; T146-R149 PolarHBondContact O-N 3.39Å; T146-R149 VanDerWaalsContact O-N 3.12Å; E147-R149 VanDerWaalsContact C-N 3.3Å; E147-R149 PolarHBondContact O-N 3.04Å; R149-K151 VanDerWaalsContact C-N 3.32Å; R149-K151 PolarHBondContact O-N 2.85Å; R149-I152 PolarHBondContact O-N 3.28Å; R149-H153 WeakPolarHBondContact O-CB 3.4Å; R149-H153 PolarHBondContact O-N 3.45Å; R149-W182 HydrophobicContact CB-CH2 3.85Å; R149-W182 HydrophobicContact CB-CZ3 3.55Å; R149-W182 HydrophobicContact CG-CH2 4.05Å; R149-W182 HydrophobicContact CG-CZ3 4.11Å
150	D	88.6	Confident	86	Confident	96 Å²	96	75.7 Å²	75.7	51%	0.513	38%	0.38	S	S	.	.	H	α-helix	trans	-65.3	-39.6	-178.2	-64.2	-19.3	0	0	0	110.4	T146 E147 L148 H153 W154	T146-D150 VanDerWaalsContact O-CG 3.31Å; T146-D150 PolarHBondContact O-N 2.95Å; E147-D150 PolarHBondContact O-N 3.12Å; L148-D150 VanDerWaalsContact C-N 3.33Å; D150-H153 PolarHBondContact O-N 3.46Å; D150-W154 VanDerWaalsContact O-CB 3.26Å; D150-W154 WeakPolarHBondContact O-CB 3.29Å; D150-W154 PolarHBondContact O-N 3.46Å
151	K	89.4	Confident	86.3	Confident	93 Å²	93	77.5 Å²	77.5	40%	0.404	39%	0.385	S	S	.	.	H	α-helix	trans	-65.6	-39.9	173	-70.6	-170.7	-166.8	-41.8	0	113.6	E147 L148 R149 W154 S155 L178	E147-K151 WeakPolarHBondContact O-CG 3.44Å; E147-K151 PolarHBondContact O-N 2.99Å; E147-K151 VanDerWaalsContact OE1-CE 3.32Å; E147-K151 WeakPolarHBondContact OE1-CE 3.38Å; E147-K151 IonicContact OE1-NZ 2.71Å; E147-K151 PolarHBondContact OE1-NZ 3.44Å; L148-K151 PolarHBondContact O-N 2.91Å; R149-K151 VanDerWaalsContact C-N 3.32Å; R149-K151 PolarHBondContact O-N 2.85Å; K151-W154 PolarHBondContact O-N 2.91Å; K151-S155 WeakPolarHBondContact O-CB 3.3Å; K151-S155 PolarHBondContact O-N 3.25Å; K151-S155 PolarHBondContact O-OG 2.76Å; K151-L178 HydrophobicContact CB-CD1 4.15Å; K151-L178 HydrophobicContact CB-CD2 4.42Å
152	I	90.7	Very high	86.6	Confident	15 Å²	15	76.7 Å²	76.7	8%	0.077	38%	0.383	C	S	.	.	H	α-helix	trans	-63	-47.9	175.4	-71.2	164.9	0	0	0	109.5	L148 R149 W154 S155 M156 L178 L179 W182	L148-I152 VanDerWaalsContact O-CG1 3.26Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 2.96Å; R149-I152 PolarHBondContact O-N 3.28Å; I152-W154 PolarHBondContact O-N 2.94Å; I152-S155 PolarHBondContact O-N 3.4Å; I152-M156 HydrophobicContact CG2-CE 3.91Å; I152-M156 HydrophobicContact CG2-SD 4.38Å; I152-M156 WeakPolarHBondContact O-CG 3.47Å; I152-M156 PolarHBondContact O-N 2.98Å; I152-L178 HydrophobicContact CD1-CB 4.3Å; I152-L178 HydrophobicContact CG1-CB 3.64Å; I152-L178 HydrophobicContact CG1-CD1 4.14Å; I152-L178 HydrophobicContact CG1-CG 4.46Å; I152-L179 HydrophobicContact CD1-CD2 4.26Å; I152-W182 HydrophobicContact CD1-CB 4.44Å; I152-W182 HydrophobicContact CD1-CD2 4.32Å; I152-W182 HydrophobicContact CD1-CE3 3.6Å; I152-W182 HydrophobicContact CD1-CZ3 4.26Å
153	H	89.6	Confident	86.6	Confident	124 Å²	124	79.2 Å²	79.2	57%	0.574	40%	0.402	S	S	*	.	H	α-helix	trans	-60.9	-45.7	178.4	-172.9	-92.3	0	0	0	111.3	R149 D150 S155 M156 S157	R149-H153 WeakPolarHBondContact O-CB 3.4Å; R149-H153 PolarHBondContact O-N 3.45Å; D150-H153 PolarHBondContact O-N 3.46Å; H153-S155 PolarHBondContact O-N 2.87Å; H153-M156 WeakPolarHBondContact O-CB 3.24Å; H153-M156 PolarHBondContact O-N 3.19Å; H153-M156 VanDerWaalsContact O-N 3.17Å; H153-S157 PolarHBondContact O-N 3.46Å; H153-S157 PolarHBondContact O-OG 2.91Å
154	W	89.1	Confident	87	Confident	143 Å²	143	79.6 Å²	79.6	54%	0.542	40%	0.402	S	S	.	.	H	α-helix	trans	-59.7	-45.1	175.2	-179.3	72.3	0	0	0	112.1	D150 K151 I152 M156 S157 Q158 W171	D150-W154 VanDerWaalsContact O-CB 3.26Å; D150-W154 WeakPolarHBondContact O-CB 3.29Å; D150-W154 PolarHBondContact O-N 3.46Å; K151-W154 PolarHBondContact O-N 2.91Å; I152-W154 PolarHBondContact O-N 2.94Å; W154-M156 VanDerWaalsContact C-N 3.27Å; W154-M156 PolarHBondContact O-N 3.09Å; W154-S157 WeakPolarHBondContact O-CB 3.46Å; W154-S157 PolarHBondContact O-N 3.04Å; W154-S157 VanDerWaalsContact O-N 3.13Å; W154-Q158 HydrophobicContact CD2-CG 4.08Å; W154-Q158 HydrophobicContact CZ2-CG 4Å; W154-Q158 WeakPolarHBondContact O-CG 3.44Å; W154-Q158 PolarHBondContact O-N 3.37Å; W154-W171 HydrophobicContact CE3-CH2 4.04Å; W154-W171 HydrophobicContact CE3-CZ3 4.01Å; W154-W171 AromaticContact CH2-CH2 3.41Å; W154-W171 HydrophobicContact CH2-CH2 3.41Å; W154-W171 VanDerWaalsContact CH2-CH2 3.41Å; W154-W171 HydrophobicContact CH2-CZ2 4.34Å; W154-W171 HydrophobicContact CH2-CZ3 4.16Å; W154-W171 HydrophobicContact CZ2-CH2 4.16Å; W154-W171 AromaticContact CZ3-CH2 3.32Å; W154-W171 HydrophobicContact CZ3-CH2 3.32Å; W154-W171 AromaticContact CZ3-CZ3 3.57Å; W154-W171 HydrophobicContact CZ3-CZ3 3.57Å
155	S	89	Confident	86.9	Confident	4 Å²	4	80.2 Å²	80.2	3%	0.028	41%	0.411	C	S	.	.	H	α-helix	trans	-61.5	-36.3	176.6	-55.1	0	0	0	0	111.9	K151 I152 H153 Q158 L159 L178	K151-S155 WeakPolarHBondContact O-CB 3.3Å; K151-S155 PolarHBondContact O-N 3.25Å; K151-S155 PolarHBondContact O-OG 2.76Å; I152-S155 PolarHBondContact O-N 3.4Å; H153-S155 PolarHBondContact O-N 2.87Å; S155-Q158 PolarHBondContact O-N 3.24Å; S155-L159 WeakPolarHBondContact O-CG 3.26Å; S155-L159 PolarHBondContact O-N 3.47Å; S155-L178 WeakPolarHBondContact OG-CD1 3.33Å
156	M	88.5	Confident	86.9	Confident	94 Å²	94	85.9 Å²	85.9	46%	0.463	44%	0.439	S	S	.	.	H	α-helix	trans	-65.9	-42	173.3	-71.4	179.5	174.1	0	0	112.3	I152 H153 W154 L159 V160 L175	I152-M156 HydrophobicContact CG2-CE 3.91Å; I152-M156 HydrophobicContact CG2-SD 4.38Å; I152-M156 WeakPolarHBondContact O-CG 3.47Å; I152-M156 PolarHBondContact O-N 2.98Å; H153-M156 WeakPolarHBondContact O-CB 3.24Å; H153-M156 PolarHBondContact O-N 3.19Å; H153-M156 VanDerWaalsContact O-N 3.17Å; W154-M156 VanDerWaalsContact C-N 3.27Å; W154-M156 PolarHBondContact O-N 3.09Å; M156-L159 WeakPolarHBondContact O-CB 3.3Å; M156-L159 PolarHBondContact O-N 2.82Å; M156-V160 PolarHBondContact O-N 3.01Å; M156-L175 HydrophobicContact CE-CD1 3.94Å; M156-L175 HydrophobicContact CG-CD1 3.4Å; M156-L175 VanDerWaalsContact CG-CD1 3.4Å
157	S	88.2	Confident	86.9	Confident	46 Å²	46	83.3 Å²	83.3	32%	0.322	43%	0.426	S	S	.	.	H	α-helix	trans	-62.8	-42.9	174.9	-58.8	0	0	0	0	111.5	H153 W154 L159 V160 E161	H153-S157 PolarHBondContact O-N 3.46Å; H153-S157 PolarHBondContact O-OG 2.91Å; W154-S157 WeakPolarHBondContact O-CB 3.46Å; W154-S157 PolarHBondContact O-N 3.04Å; W154-S157 VanDerWaalsContact O-N 3.13Å; S157-L159 VanDerWaalsContact C-N 3.27Å; S157-L159 PolarHBondContact O-N 3.42Å; S157-V160 WeakPolarHBondContact O-CB 3.42Å; S157-V160 PolarHBondContact O-N 3.47Å; S157-V160 VanDerWaalsContact O-N 3.08Å; S157-E161 PolarHBondContact O-N 3.49Å
158	Q	86.7	Confident	86.9	Confident	41 Å²	41	82.1 Å²	82.1	19%	0.192	42%	0.422	C	S	.	.	H	α-helix	trans	-65.8	-28.4	177.9	-65.7	-59.6	-75.4	0	0	113	W154 S155 V160 E161 T162 W171	W154-Q158 HydrophobicContact CD2-CG 4.08Å; W154-Q158 HydrophobicContact CZ2-CG 4Å; W154-Q158 WeakPolarHBondContact O-CG 3.44Å; W154-Q158 PolarHBondContact O-N 3.37Å; S155-Q158 PolarHBondContact O-N 3.24Å; Q158-V160 VanDerWaalsContact C-N 3.3Å; Q158-V160 PolarHBondContact O-N 3.39Å; Q158-E161 PolarHBondContact NE2-OE2 3.36Å; Q158-E161 PolarHBondContact O-N 3.08Å; Q158-T162 VanDerWaalsContact O-CB 3.26Å; Q158-T162 WeakPolarHBondContact O-CB 3.38Å; Q158-T162 PolarHBondContact O-N 2.73Å; Q158-T162 PolarHBondContact O-OG1 2.88Å; Q158-W171 HydrophobicContact CB-CD2 3.91Å; Q158-W171 HydrophobicContact CB-CE3 4.23Å; Q158-W171 HydrophobicContact CB-CH2 3.96Å; Q158-W171 HydrophobicContact CB-CZ2 3.57Å; Q158-W171 HydrophobicContact CB-CZ3 4.25Å; Q158-W171 HydrophobicContact CG-CH2 3.89Å; Q158-W171 HydrophobicContact CG-CZ2 3.77Å; Q158-W171 HydrophobicContact CG-CZ3 4.43Å
159	L	83.2	Confident	86.8	Confident	44 Å²	44	89.7 Å²	89.7	23%	0.23	45%	0.45	C	S	.	.	H	α-helix	trans	-63.9	-34.1	171.7	-81.7	168	0	0	0	112.8	S155 M156 S157 I168 W171 V172 L175	S155-L159 WeakPolarHBondContact O-CG 3.26Å; S155-L159 PolarHBondContact O-N 3.47Å; M156-L159 WeakPolarHBondContact O-CB 3.3Å; M156-L159 PolarHBondContact O-N 2.82Å; S157-L159 VanDerWaalsContact C-N 3.27Å; S157-L159 PolarHBondContact O-N 3.42Å; L159-I168 HydrophobicContact CD2-CG2 4.19Å; L159-W171 HydrophobicContact CD1-CB 4.5Å; L159-W171 HydrophobicContact CD2-CB 3.31Å; L159-W171 HydrophobicContact CD2-CG 4.29Å; L159-W171 HydrophobicContact CG-CB 3.65Å; L159-W171 HydrophobicContact CG-CG 4.43Å; L159-V172 HydrophobicContact CD2-CG2 3.93Å; L159-L175 HydrophobicContact CD1-CD1 4.1Å
160	V	86	Confident	86.9	Confident	130 Å²	130	87.6 Å²	87.6	79%	0.788	45%	0.447	S	S	*	.	H	α-helix	trans	-73.1	-36.1	178.4	179.9	0	0	0	0	110.9	M156 S157 Q158	M156-V160 PolarHBondContact O-N 3.01Å; S157-V160 WeakPolarHBondContact O-CB 3.42Å; S157-V160 PolarHBondContact O-N 3.47Å; S157-V160 VanDerWaalsContact O-N 3.08Å; Q158-V160 VanDerWaalsContact C-N 3.3Å; Q158-V160 PolarHBondContact O-N 3.39Å
161	E	83.5	Confident	86.9	Confident	130 Å²	130	85.2 Å²	85.2	61%	0.607	43%	0.431	S	S	*	.	H	α-helix	trans	-77.8	-29.7	179.6	-67.7	172.8	-170	0	0	113	S157 Q158 T163	S157-E161 PolarHBondContact O-N 3.49Å; Q158-E161 PolarHBondContact NE2-OE2 3.36Å; Q158-E161 PolarHBondContact O-N 3.08Å; E161-T163 PolarHBondContact O-N 2.73Å
162	T	80.7	Confident	87	Confident	28 Å²	28	84.1 Å²	84.1	17%	0.172	43%	0.432	C	S	.	.			trans	-80.9	107.4	-172.9	-58.6	0	0	0	0	111.8	Q158 I168 W171	Q158-T162 VanDerWaalsContact O-CB 3.26Å; Q158-T162 WeakPolarHBondContact O-CB 3.38Å; Q158-T162 PolarHBondContact O-N 2.73Å; Q158-T162 PolarHBondContact O-OG1 2.88Å; T162-I168 HydrophobicContact CG2-CG1 4.28Å; T162-I168 WeakPolarHBondContact O-CD1 3.43Å; T162-I168 VanDerWaalsContact O-CG1 3.27Å; T162-I168 WeakPolarHBondContact O-CG1 3.35Å; T162-W171 PolarHBondContact OG1-NE1 3.46Å
163	T	81.7	Confident	87.1	Confident	134 Å²	134	87.7 Å²	87.7	82%	0.822	45%	0.451	S	S	*	.			trans	-90.4	-5.2	175	41.1	0	0	0	0	114.1	E161	E161-T163 PolarHBondContact O-N 2.73Å
164	T	88.2	Confident	87.2	Confident	78 Å²	78	83.7 Å²	83.7	48%	0.479	44%	0.435	S	S	.	.	S	Bend	trans	-83.8	132.5	178.6	64.7	0	0	0	0	111.2	M166 G167 I168	T164-M166 VanDerWaalsContact C-N 3.28Å; T164-M166 PolarHBondContact O-N 3.49Å; T164-G167 PolarHBondContact O-N 2.89Å; T164-G167 VanDerWaalsContact O-N 3.15Å; T164-G167 PolarHBondContact OG1-N 3.49Å; T164-I168 WeakPolarHBondContact O-CG1 3.26Å; T164-I168 PolarHBondContact O-N 3.26Å
165	P	82.4	Confident	87.3	Confident	98 Å²	98	78.2 Å²	78.2	64%	0.636	42%	0.416	S	S	*	.	H	α-helix	trans	-65.4	-30.7	-176.5	25.2	-34.4	0	0	0	113.1	R169	P165-R169 WeakPolarHBondContact O-CG 3.3Å; P165-R169 PolarHBondContact O-N 3.29Å
166	M	85.5	Confident	87.5	Confident	157 Å²	157	85.1 Å²	85.1	77%	0.773	45%	0.446	S	S	*	.	H	α-helix	trans	-70.1	-43.6	172.9	-91.4	176.9	62.7	0	0	111.9	T164 I168 R169 Q170	T164-M166 VanDerWaalsContact C-N 3.28Å; T164-M166 PolarHBondContact O-N 3.49Å; M166-I168 VanDerWaalsContact C-N 3.34Å; M166-I168 PolarHBondContact O-N 3.24Å; M166-R169 PolarHBondContact O-N 3.01Å; M166-Q170 PolarHBondContact O-N 3.36Å
167	G	86.1	Confident	87.7	Confident	16 Å²	16	84 Å²	84	17%	0.165	45%	0.448	C	S	.	.	H	α-helix	trans	-63.8	-40.7	179.1	0	0	0	0	0	111.8	T164 R169 Q170 W171	T164-G167 PolarHBondContact O-N 2.89Å; T164-G167 VanDerWaalsContact O-N 3.15Å; T164-G167 PolarHBondContact OG1-N 3.49Å; G167-R169 PolarHBondContact O-N 3.47Å; G167-Q170 PolarHBondContact O-N 2.85Å; G167-W171 WeakPolarHBondContact O-CB 3.17Å; G167-W171 PolarHBondContact O-N 2.95Å
168	I	87.7	Confident	87.8	Confident	70 Å²	70	83 Å²	83	36%	0.359	44%	0.438	S	S	.	.	H	α-helix	trans	-57.9	-47.8	174.5	-65.2	165.5	0	0	0	110.8	L159 T162 T164 M166 Q170 W171 V172	L159-I168 HydrophobicContact CD2-CG2 4.19Å; T162-I168 HydrophobicContact CG2-CG1 4.28Å; T162-I168 WeakPolarHBondContact O-CD1 3.43Å; T162-I168 VanDerWaalsContact O-CG1 3.27Å; T162-I168 WeakPolarHBondContact O-CG1 3.35Å; T164-I168 WeakPolarHBondContact O-CG1 3.26Å; T164-I168 PolarHBondContact O-N 3.26Å; M166-I168 VanDerWaalsContact C-N 3.34Å; M166-I168 PolarHBondContact O-N 3.24Å; I168-Q170 PolarHBondContact O-N 3.33Å; I168-W171 PolarHBondContact O-N 2.91Å; I168-V172 HydrophobicContact CG2-CG2 4.29Å; I168-V172 WeakPolarHBondContact O-CB 3.18Å; I168-V172 VanDerWaalsContact O-CG2 3.28Å; I168-V172 WeakPolarHBondContact O-CG2 3.3Å; I168-V172 PolarHBondContact O-N 3.32Å
169	R	88.8	Confident	88.1	Confident	180 Å²	180	85 Å²	85	68%	0.679	45%	0.45	S	S	*	.	H	α-helix	trans	-59.9	-47.3	178.2	-72.3	178	-169.8	-81.1	-1.4	111.6	P165 M166 G167 W171 V172 D173	P165-R169 WeakPolarHBondContact O-CG 3.3Å; P165-R169 PolarHBondContact O-N 3.29Å; M166-R169 PolarHBondContact O-N 3.01Å; G167-R169 PolarHBondContact O-N 3.47Å; R169-W171 VanDerWaalsContact C-N 3.31Å; R169-W171 PolarHBondContact O-N 3.39Å; R169-V172 PolarHBondContact O-N 2.89Å; R169-D173 PolarHBondContact O-N 3.24Å
170	Q	90.8	Very high	88.5	Confident	118 Å²	118	86.5 Å²	86.5	55%	0.551	46%	0.458	S	S	*	.	H	α-helix	trans	-57.5	-46.4	177.9	-176.1	61.3	35.4	0	0	111.3	M166 G167 I168 D173 T174	M166-Q170 PolarHBondContact O-N 3.36Å; G167-Q170 PolarHBondContact O-N 2.85Å; I168-Q170 PolarHBondContact O-N 3.33Å; Q170-D173 PolarHBondContact O-N 2.88Å; Q170-T174 WeakPolarHBondContact O-CG2 3.36Å; Q170-T174 PolarHBondContact O-N 3.41Å; Q170-T174 PolarHBondContact O-OG1 2.97Å
171	W	90.1	Very high	88.7	Confident	47 Å²	47	84.4 Å²	84.4	18%	0.178	44%	0.442	C	S	.	.	H	α-helix	trans	-66.3	-40.3	178.5	-77.2	122.2	0	0	0	112.8	W154 Q158 L159 T162 G167 I168 R169 D173 T174 L175	W154-W171 HydrophobicContact CE3-CH2 4.04Å; W154-W171 HydrophobicContact CE3-CZ3 4.01Å; W154-W171 AromaticContact CH2-CH2 3.41Å; W154-W171 HydrophobicContact CH2-CH2 3.41Å; W154-W171 VanDerWaalsContact CH2-CH2 3.41Å; W154-W171 HydrophobicContact CH2-CZ2 4.34Å; W154-W171 HydrophobicContact CH2-CZ3 4.16Å; W154-W171 HydrophobicContact CZ2-CH2 4.16Å; W154-W171 AromaticContact CZ3-CH2 3.32Å; W154-W171 HydrophobicContact CZ3-CH2 3.32Å; W154-W171 AromaticContact CZ3-CZ3 3.57Å; W154-W171 HydrophobicContact CZ3-CZ3 3.57Å; Q158-W171 HydrophobicContact CB-CD2 3.91Å; Q158-W171 HydrophobicContact CB-CE3 4.23Å; Q158-W171 HydrophobicContact CB-CH2 3.96Å; Q158-W171 HydrophobicContact CB-CZ2 3.57Å; Q158-W171 HydrophobicContact CB-CZ3 4.25Å; Q158-W171 HydrophobicContact CG-CH2 3.89Å; Q158-W171 HydrophobicContact CG-CZ2 3.77Å; Q158-W171 HydrophobicContact CG-CZ3 4.43Å; L159-W171 HydrophobicContact CD1-CB 4.5Å; L159-W171 HydrophobicContact CD2-CB 3.31Å; L159-W171 HydrophobicContact CD2-CG 4.29Å; L159-W171 HydrophobicContact CG-CB 3.65Å; L159-W171 HydrophobicContact CG-CG 4.43Å; T162-W171 PolarHBondContact OG1-NE1 3.46Å; G167-W171 WeakPolarHBondContact O-CB 3.17Å; G167-W171 PolarHBondContact O-N 2.95Å; I168-W171 PolarHBondContact O-N 2.91Å; R169-W171 VanDerWaalsContact C-N 3.31Å; R169-W171 PolarHBondContact O-N 3.39Å; W171-D173 VanDerWaalsContact C-N 3.33Å; W171-D173 PolarHBondContact O-N 3.36Å; W171-T174 VanDerWaalsContact CA-OG1 3.3Å; W171-T174 WeakPolarHBondContact CA-OG1 3.39Å; W171-T174 PolarHBondContact O-N 3.22Å; W171-T174 PolarHBondContact O-OG1 3.34Å; W171-L175 VanDerWaalsContact O-CB 3.27Å; W171-L175 WeakPolarHBondContact O-CB 3.34Å; W171-L175 PolarHBondContact O-N 3.17Å
172	V	90.8	Very high	89	Confident	70 Å²	70	82 Å²	82	42%	0.424	43%	0.427	S	S	.	.	H	α-helix	trans	-60.8	-42.8	173.8	170.6	0	0	0	0	111	L159 I168 R169 L175 K176	L159-V172 HydrophobicContact CD2-CG2 3.93Å; I168-V172 HydrophobicContact CG2-CG2 4.29Å; I168-V172 WeakPolarHBondContact O-CB 3.18Å; I168-V172 VanDerWaalsContact O-CG2 3.28Å; I168-V172 WeakPolarHBondContact O-CG2 3.3Å; I168-V172 PolarHBondContact O-N 3.32Å; R169-V172 PolarHBondContact O-N 2.89Å; V172-L175 PolarHBondContact O-N 3.47Å; V172-K176 WeakPolarHBondContact O-CB 3.49Å; V172-K176 PolarHBondContact O-N 2.88Å
173	D	91.9	Very high	89.4	Confident	89 Å²	89	83.7 Å²	83.7	48%	0.476	44%	0.436	S	S	.	.	H	α-helix	trans	-65	-44.4	177.3	-71.5	-29.1	0	0	0	111.3	R169 Q170 W171 L175 K176 S177	R169-D173 PolarHBondContact O-N 3.24Å; Q170-D173 PolarHBondContact O-N 2.88Å; W171-D173 VanDerWaalsContact C-N 3.33Å; W171-D173 PolarHBondContact O-N 3.36Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.23Å; D173-K176 PolarHBondContact O-N 3.06Å; D173-S177 PolarHBondContact O-N 3.02Å; D173-S177 PolarHBondContact O-OG 3.45Å
174	T	91.9	Very high	89.7	Confident	41 Å²	41	82.8 Å²	82.8	25%	0.252	42%	0.42	S	S	.	.	H	α-helix	trans	-61.1	-42.6	174.7	58.4	0	0	0	0	111.9	Q170 W171 K176 S177 L178	Q170-T174 WeakPolarHBondContact O-CG2 3.36Å; Q170-T174 PolarHBondContact O-N 3.41Å; Q170-T174 PolarHBondContact O-OG1 2.97Å; W171-T174 VanDerWaalsContact CA-OG1 3.3Å; W171-T174 WeakPolarHBondContact CA-OG1 3.39Å; W171-T174 PolarHBondContact O-N 3.22Å; W171-T174 PolarHBondContact O-OG1 3.34Å; T174-K176 VanDerWaalsContact C-N 3.34Å; T174-K176 PolarHBondContact O-N 3.13Å; T174-S177 PolarHBondContact O-N 3.07Å; T174-L178 VanDerWaalsContact O-CG 3.3Å; T174-L178 WeakPolarHBondContact O-CG 3.27Å; T174-L178 PolarHBondContact O-N 2.92Å
175	L	92	Very high	89.6	Confident	28 Å²	28	81.2 Å²	81.2	15%	0.147	41%	0.409	C	S	.	.	H	α-helix	trans	-65	-39.4	178.5	-175.2	133.2	0	0	0	111.2	M156 L159 W171 V172 D173 L178 L179	M156-L175 HydrophobicContact CE-CD1 3.94Å; M156-L175 HydrophobicContact CG-CD1 3.4Å; M156-L175 VanDerWaalsContact CG-CD1 3.4Å; L159-L175 HydrophobicContact CD1-CD1 4.1Å; W171-L175 VanDerWaalsContact O-CB 3.27Å; W171-L175 WeakPolarHBondContact O-CB 3.34Å; W171-L175 PolarHBondContact O-N 3.17Å; V172-L175 PolarHBondContact O-N 3.47Å; D173-L175 VanDerWaalsContact C-N 3.34Å; D173-L175 PolarHBondContact O-N 3.23Å; L175-L178 PolarHBondContact O-N 3.27Å; L175-L179 HydrophobicContact CD2-CD1 3.62Å; L175-L179 HydrophobicContact CD2-CG 4.45Å; L175-L179 HydrophobicContact CG-CD1 4.33Å; L175-L179 WeakPolarHBondContact O-CB 3.43Å; L175-L179 VanDerWaalsContact O-CG 3.3Å; L175-L179 WeakPolarHBondContact O-CG 3.41Å; L175-L179 PolarHBondContact O-N 3.29Å
176	K	92.8	Very high	89.6	Confident	148 Å²	148	81 Å²	81	64%	0.643	40%	0.402	S	S	*	.	H	α-helix	trans	-63.1	-43.6	173.7	-168.3	-177.3	-179	73.7	0	111.6	V172 D173 T174 L179 D180	V172-K176 WeakPolarHBondContact O-CB 3.49Å; V172-K176 PolarHBondContact O-N 2.88Å; D173-K176 PolarHBondContact O-N 3.06Å; T174-K176 VanDerWaalsContact C-N 3.34Å; T174-K176 PolarHBondContact O-N 3.13Å; K176-L179 PolarHBondContact O-N 3.44Å; K176-D180 WeakPolarHBondContact O-CB 3.32Å; K176-D180 PolarHBondContact O-N 3.28Å
177	S	92.6	Very high	89.6	Confident	72 Å²	72	79.5 Å²	79.5	50%	0.503	39%	0.391	S	S	.	.	H	α-helix	trans	-63.6	-41.6	175.1	-63.8	0	0	0	0	112.4	D173 T174 D180 L181	D173-S177 PolarHBondContact O-N 3.02Å; D173-S177 PolarHBondContact O-OG 3.45Å; T174-S177 PolarHBondContact O-N 3.07Å; S177-D180 PolarHBondContact O-N 3.35Å; S177-L181 WeakPolarHBondContact O-CG 3.45Å; S177-L181 PolarHBondContact O-N 3.48Å
178	L	91.6	Very high	89.3	Confident	25 Å²	25	80.8 Å²	80.8	13%	0.131	40%	0.397	C	S	.	.	H	α-helix	trans	-65.3	-40.6	177	-70.9	172.6	0	0	0	112	L148 K151 I152 S155 T174 L175 L181 W182	L148-L178 HydrophobicContact CD2-CD2 3.88Å; K151-L178 HydrophobicContact CB-CD1 4.15Å; K151-L178 HydrophobicContact CB-CD2 4.42Å; I152-L178 HydrophobicContact CD1-CB 4.3Å; I152-L178 HydrophobicContact CG1-CB 3.64Å; I152-L178 HydrophobicContact CG1-CD1 4.14Å; I152-L178 HydrophobicContact CG1-CG 4.46Å; S155-L178 WeakPolarHBondContact OG-CD1 3.33Å; T174-L178 VanDerWaalsContact O-CG 3.3Å; T174-L178 WeakPolarHBondContact O-CG 3.27Å; T174-L178 PolarHBondContact O-N 2.92Å; L175-L178 PolarHBondContact O-N 3.27Å; L178-L181 PolarHBondContact O-N 2.99Å; L178-W182 PolarHBondContact O-N 3.15Å
179	L	91.5	Very high	88.5	Confident	82 Å²	82	79.7 Å²	79.7	43%	0.429	39%	0.392	S	S	.	.	H	α-helix	trans	-66.6	-38.7	175.4	-74.4	171.7	0	0	0	112.5	I152 L175 K176 W182 D183	I152-L179 HydrophobicContact CD1-CD2 4.26Å; L175-L179 HydrophobicContact CD2-CD1 3.62Å; L175-L179 HydrophobicContact CD2-CG 4.45Å; L175-L179 HydrophobicContact CG-CD1 4.33Å; L175-L179 WeakPolarHBondContact O-CB 3.43Å; L175-L179 VanDerWaalsContact O-CG 3.3Å; L175-L179 WeakPolarHBondContact O-CG 3.41Å; L175-L179 PolarHBondContact O-N 3.29Å; K176-L179 PolarHBondContact O-N 3.44Å; L179-W182 WeakPolarHBondContact O-CB 3.5Å; L179-W182 PolarHBondContact O-N 3.29Å; L179-D183 PolarHBondContact O-N 3.43Å
180	D	91.5	Very high	87.5	Confident	76 Å²	76	79.6 Å²	79.6	41%	0.406	40%	0.397	S	S	.	.	H	α-helix	trans	-65	-40.3	174.8	-176.6	64.7	0	0	0	111.7	K176 S177 D183 K184	K176-D180 WeakPolarHBondContact O-CB 3.32Å; K176-D180 PolarHBondContact O-N 3.28Å; S177-D180 PolarHBondContact O-N 3.35Å; D180-D183 PolarHBondContact O-N 3.02Å; D180-K184 WeakPolarHBondContact O-CB 3.49Å; D180-K184 VanDerWaalsContact O-CG 3.31Å; D180-K184 WeakPolarHBondContact O-CG 3.28Å; D180-K184 PolarHBondContact O-N 3.1Å; D180-K184 WeakPolarHBondContact OD2-CE 3.5Å; D180-K184 IonicContact OD2-NZ 2.67Å; D180-K184 PolarHBondContact OD2-NZ 2.74Å
181	L	90.5	Very high	86.2	Confident	85 Å²	85	79.8 Å²	79.8	45%	0.445	41%	0.406	S	S	.	.	H	α-helix	trans	-63.2	-41.3	172.6	-74.5	168.5	0	0	0	112	S177 L178 K184 L185	S177-L181 WeakPolarHBondContact O-CG 3.45Å; S177-L181 PolarHBondContact O-N 3.48Å; L178-L181 PolarHBondContact O-N 2.99Å; L181-K184 PolarHBondContact O-N 2.9Å; L181-L185 WeakPolarHBondContact O-CB 3.46Å; L181-L185 WeakPolarHBondContact O-CG 3.37Å; L181-L185 PolarHBondContact O-N 3.3Å
182	W	89.6	Confident	84.7	Confident	79 Å²	79	84.5 Å²	84.5	30%	0.299	43%	0.427	S	S	.	.	H	α-helix	trans	-59.5	-49.5	175.4	-174.5	-68.4	0	0	0	111.6	L145 L148 R149 I152 L178 L179 K184 L185 L186	L145-W182 WeakPolarHBondContact O-CZ3 3.32Å; L148-W182 HydrophobicContact CB-CE3 4.17Å; L148-W182 HydrophobicContact CB-CZ3 4.43Å; R149-W182 HydrophobicContact CB-CH2 3.85Å; R149-W182 HydrophobicContact CB-CZ3 3.55Å; R149-W182 HydrophobicContact CG-CH2 4.05Å; R149-W182 HydrophobicContact CG-CZ3 4.11Å; I152-W182 HydrophobicContact CD1-CB 4.44Å; I152-W182 HydrophobicContact CD1-CD2 4.32Å; I152-W182 HydrophobicContact CD1-CE3 3.6Å; I152-W182 HydrophobicContact CD1-CZ3 4.26Å; L178-W182 PolarHBondContact O-N 3.15Å; L179-W182 WeakPolarHBondContact O-CB 3.5Å; L179-W182 PolarHBondContact O-N 3.29Å; W182-K184 PolarHBondContact O-N 2.83Å; W182-L185 PolarHBondContact O-N 2.6Å; W182-L186 WeakPolarHBondContact O-CB 3.14Å; W182-L186 PolarHBondContact O-N 3.4Å
183	D	89.3	Confident	82.7	Confident	65 Å²	65	88.9 Å²	88.9	35%	0.348	46%	0.461	S	S	.	.	H	α-helix	trans	-63.7	-41.1	179.9	-175.3	54.1	0	0	0	112	L179 D180 L185 L186 K187	L179-D183 PolarHBondContact O-N 3.43Å; D180-D183 PolarHBondContact O-N 3.02Å; D183-L185 PolarHBondContact O-N 2.83Å; D183-L186 PolarHBondContact O-N 3.3Å; D183-K187 WeakPolarHBondContact O-CB 3.26Å; D183-K187 WeakPolarHBondContact O-CG 3.41Å; D183-K187 PolarHBondContact O-N 3.3Å; D183-K187 IonicContact OD1-NZ 3.78Å; D183-K187 VanDerWaalsContact OD2-CE 3.24Å; D183-K187 WeakPolarHBondContact OD2-CE 3.48Å; D183-K187 IonicContact OD2-NZ 2.66Å; D183-K187 PolarHBondContact OD2-NZ 3.08Å
184	K	88.8	Confident	82.2	Confident	115 Å²	115	88.9 Å²	88.9	50%	0.5	46%	0.46	S	S	.	.	H	α-helix	trans	-60.5	-44.5	174.1	-77.9	171.2	177	164.9	0	112.2	D180 L181 W182 S188	D180-K184 WeakPolarHBondContact O-CB 3.49Å; D180-K184 VanDerWaalsContact O-CG 3.31Å; D180-K184 WeakPolarHBondContact O-CG 3.28Å; D180-K184 PolarHBondContact O-N 3.1Å; D180-K184 WeakPolarHBondContact OD2-CE 3.5Å; D180-K184 IonicContact OD2-NZ 2.67Å; D180-K184 PolarHBondContact OD2-NZ 2.74Å; L181-K184 PolarHBondContact O-N 2.9Å; W182-K184 PolarHBondContact O-N 2.83Å; K184-S188 WeakPolarHBondContact O-CB 3.42Å; K184-S188 PolarHBondContact O-N 2.78Å; K184-S188 PolarHBondContact O-OG 3.46Å
185	L	85.7	Confident	81.7	Confident	45 Å²	45	91.4 Å²	91.4	24%	0.236	47%	0.471	C	S	.	.	H	α-helix	trans	-64.4	-44.3	176.1	-75.7	173.4	0	0	0	110.9	I144 L145 L148 L181 W182 D183 K187 S188 N189	I144-L185 HydrophobicContact CG2-CD1 3.87Å; L145-L185 HydrophobicContact CD2-CB 3.97Å; L145-L185 HydrophobicContact CD2-CD1 4.05Å; L148-L185 HydrophobicContact CD1-CD1 3.2Å; L181-L185 WeakPolarHBondContact O-CB 3.46Å; L181-L185 WeakPolarHBondContact O-CG 3.37Å; L181-L185 PolarHBondContact O-N 3.3Å; W182-L185 PolarHBondContact O-N 2.6Å; D183-L185 PolarHBondContact O-N 2.83Å; L185-K187 VanDerWaalsContact C-N 3.35Å; L185-K187 PolarHBondContact O-N 2.68Å; L185-S188 WeakPolarHBondContact CA-OG 3.27Å; L185-S188 PolarHBondContact O-N 2.97Å; L185-S188 PolarHBondContact O-OG 2.79Å; L185-N189 PolarHBondContact O-N 2.91Å; L185-N189 PolarHBondContact O-ND2 3.39Å
186	L	82.7	Confident	81.2	Confident	94 Å²	94	94.9 Å²	94.9	49%	0.492	49%	0.489	S	S	.	.	H	α-helix	trans	-58.6	-46.3	178.8	-147.5	85.5	0	0	0	111.7	W182 D183 N189 F190	W182-L186 WeakPolarHBondContact O-CB 3.14Å; W182-L186 PolarHBondContact O-N 3.4Å; D183-L186 PolarHBondContact O-N 3.3Å; L186-N189 PolarHBondContact O-N 3.25Å; L186-F190 PolarHBondContact O-N 3.34Å; L186-F190 VanDerWaalsContact O-N 3.08Å
187	K	85.3	Confident	80.5	Confident	125 Å²	125	91.8 Å²	91.8	54%	0.543	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-41.5	176.1	-74.4	170.3	178.1	165.2	0	112.2	D183 L185 N189 F190 V191	D183-K187 WeakPolarHBondContact O-CB 3.26Å; D183-K187 WeakPolarHBondContact O-CG 3.41Å; D183-K187 PolarHBondContact O-N 3.3Å; D183-K187 IonicContact OD1-NZ 3.78Å; D183-K187 VanDerWaalsContact OD2-CE 3.24Å; D183-K187 WeakPolarHBondContact OD2-CE 3.48Å; D183-K187 IonicContact OD2-NZ 2.66Å; D183-K187 PolarHBondContact OD2-NZ 3.08Å; L185-K187 VanDerWaalsContact C-N 3.35Å; L185-K187 PolarHBondContact O-N 2.68Å; K187-N189 VanDerWaalsContact C-N 3.26Å; K187-N189 PolarHBondContact O-N 3.21Å; K187-F190 PolarHBondContact O-N 3.48Å; K187-V191 WeakPolarHBondContact O-CG2 3.49Å; K187-V191 PolarHBondContact O-N 3.4Å
188	S	78.9	Confident	79.7	Confident	42 Å²	42	93 Å²	93	29%	0.294	48%	0.479	S	S	.	.	H	α-helix	trans	-66	-29.4	177.9	76.2	0	0	0	0	113.1	K184 L185 K192	K184-S188 WeakPolarHBondContact O-CB 3.42Å; K184-S188 PolarHBondContact O-N 2.78Å; K184-S188 PolarHBondContact O-OG 3.46Å; L185-S188 WeakPolarHBondContact CA-OG 3.27Å; L185-S188 PolarHBondContact O-N 2.97Å; L185-S188 PolarHBondContact O-OG 2.79Å; S188-K192 WeakPolarHBondContact O-CG 3.36Å
189	N	70.9	Confident	78.9	Confident	48 Å²	48	97.5 Å²	97.5	26%	0.257	50%	0.502	S	S	.	.	H	α-helix	trans	-75.9	-39.9	176	-80.3	-75.7	0	0	0	111.7	E141 L185 L186 K187 V191 K192	E141-N189 PolarHBondContact OE2-OD1 3.14Å; E141-N189 VanDerWaalsContact OE2-OD1 3.08Å; L185-N189 PolarHBondContact O-N 2.91Å; L185-N189 PolarHBondContact O-ND2 3.39Å; L186-N189 PolarHBondContact O-N 3.25Å; K187-N189 VanDerWaalsContact C-N 3.26Å; K187-N189 PolarHBondContact O-N 3.21Å; N189-V191 VanDerWaalsContact C-N 3.35Å; N189-V191 PolarHBondContact O-N 3.29Å; N189-K192 PolarHBondContact O-N 3.29Å
190	F	68.8	Low	78	Confident	177 Å²	177	98.6 Å²	98.6	78%	0.776	51%	0.507	S	S	*	.	H	α-helix	trans	-69.3	-30.3	-180	-165.2	-97.1	0	0	0	113.2	L186 K187	L186-F190 PolarHBondContact O-N 3.34Å; L186-F190 VanDerWaalsContact O-N 3.08Å; K187-F190 PolarHBondContact O-N 3.48Å
191	V	63	Low	77	Confident	122 Å²	122	100.4 Å²	100.4	74%	0.739	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-15.8	-179.4	175.8	0	0	0	0	113.3	K187 N189	K187-V191 WeakPolarHBondContact O-CG2 3.49Å; K187-V191 PolarHBondContact O-N 3.4Å; N189-V191 VanDerWaalsContact C-N 3.35Å; N189-V191 PolarHBondContact O-N 3.29Å
192	K	58.6	Low	75.9	Confident	146 Å²	146	101.7 Å²	101.7	64%	0.635	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.4	-179.4	-69.9	177.1	-167.3	170.7	0	114.2	E141 S188 N189	E141-K192 IonicContact OE1-NZ 2.91Å; E141-K192 PolarHBondContact OE1-NZ 3.33Å; S188-K192 WeakPolarHBondContact O-CG 3.36Å; N189-K192 PolarHBondContact O-N 3.29Å
193	S	49.2	Very low	74.6	Confident	162 Å²	162	103.7 Å²	103.7	100%	1.133	54%	0.541	S	S	*	.			trans	-101.7	0	175.5	-170.1	0	0	0	0	111.9

Retrieved 193 of 193 residues in 120.1 ms (Link to these results)

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