A0A5K4F463_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F463, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 136 aa.

						>A0A5K4F463_SCHMA|A0A5K4F463
MNDSSYNNQLIEQTKHFNSNRIDAEHFVDIDSGYFIYLKQYYSSFKPLPLLLLIIIIIMAYSGYSTDNSDSDQTNTYPLKEKSTLKKRSKRNHHRKRFGRMAKSWKFMKLRKLWERDMAKQRSISAPFVSIKANNK
					

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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	47.9	Very low	67.9	Low	237 Å²	237	116.2 Å²	116.2	100%	1.167	61%	0.606	S	S	*	*				0	68.8	0	-72.4	169.4	123	0	0	109.9
2	N	58.7	Low	68.3	Low	137 Å²	137	118.3 Å²	118.3	73%	0.733	61%	0.611	S	S	*	*			trans	-144	-2.8	176.1	-104.6	-8.1	0	0	0	114.7	S4	N2-S4 PolarHBondContact O-N 3.08Å
3	D	61	Low	68.3	Low	128 Å²	128	119.6 Å²	119.6	68%	0.684	61%	0.613	S	S	*	*	H	α-helix	trans	-74.3	-27.1	-170.7	-53	-47.1	0	0	0	113.6	S5 N7	D3-S5 PolarHBondContact O-N 3.42Å; D3-N7 PolarHBondContact O-N 3.11Å; D3-N7 PolarHBondContact O-ND2 3.42Å; D3-N7 VanDerWaalsContact O-ND2 3.08Å
4	S	67.2	Low	68.1	Low	84 Å²	84	116.4 Å²	116.4	59%	0.587	60%	0.601	S	S	*	*	H	α-helix	trans	-70.6	-31.5	-178	-167	0	0	0	0	113.4	N2 N8	N2-S4 PolarHBondContact O-N 3.08Å; S4-N8 VanDerWaalsContact O-CG 3.32Å; S4-N8 PolarHBondContact O-N 3.3Å; S4-N8 PolarHBondContact O-ND2 3.25Å
5	S	72.7	Confident	68.2	Low	75 Å²	75	118.3 Å²	118.3	52%	0.524	60%	0.603	S	S	.	*	H	α-helix	trans	-71.3	-42.2	-178.7	-171.9	0	0	0	0	111.2	D3 N8 Q9	D3-S5 PolarHBondContact O-N 3.42Å; S5-N8 PolarHBondContact O-N 3.36Å; S5-Q9 PolarHBondContact O-N 3.13Å; S5-Q9 VanDerWaalsContact O-N 3.16Å
6	Y	69.5	Low	67.5	Low	155 Å²	155	119 Å²	119	61%	0.608	60%	0.603	S	S	*	*	H	α-helix	trans	-65.5	-42.4	178.4	-170.2	-103.1	0	0	0	112.1	N8 Q9 L10	Y6-N8 VanDerWaalsContact C-N 3.33Å; Y6-N8 PolarHBondContact O-N 3.32Å; Y6-Q9 PolarHBondContact O-N 3.42Å; Y6-L10 HydrophobicContact CD1-CD1 3.75Å; Y6-L10 HydrophobicContact CE1-CD1 3.23Å; Y6-L10 PolarHBondContact O-N 3.28Å; Y6-L10 VanDerWaalsContact O-N 3.11Å
7	N	75.2	Confident	66.9	Low	90 Å²	90	120.5 Å²	120.5	48%	0.481	61%	0.605	S	S	.	*	H	α-helix	trans	-62.7	-38.8	177.2	-74.2	-35.1	0	0	0	112.4	D3 L10 I11	D3-N7 PolarHBondContact O-N 3.11Å; D3-N7 PolarHBondContact O-ND2 3.42Å; D3-N7 VanDerWaalsContact O-ND2 3.08Å; N7-L10 PolarHBondContact O-N 3.3Å; N7-I11 VanDerWaalsContact O-CG1 3.31Å; N7-I11 WeakPolarHBondContact O-CG1 3.38Å; N7-I11 PolarHBondContact O-N 3.24Å; N7-I11 VanDerWaalsContact O-N 3.13Å
8	N	76.7	Confident	66.4	Low	95 Å²	95	118.6 Å²	118.6	51%	0.508	60%	0.597	S	S	.	*	H	α-helix	trans	-66.5	-40.7	177	-73.2	-20.1	0	0	0	112.3	S4 S5 Y6 L10 I11 E12	S4-N8 VanDerWaalsContact O-CG 3.32Å; S4-N8 PolarHBondContact O-N 3.3Å; S4-N8 PolarHBondContact O-ND2 3.25Å; S5-N8 PolarHBondContact O-N 3.36Å; Y6-N8 VanDerWaalsContact C-N 3.33Å; Y6-N8 PolarHBondContact O-N 3.32Å; N8-L10 VanDerWaalsContact C-N 3.35Å; N8-L10 PolarHBondContact O-N 3.16Å; N8-I11 PolarHBondContact O-N 3.06Å; N8-E12 PolarHBondContact O-N 3.36Å
9	Q	74.6	Confident	65.9	Low	113 Å²	113	115.6 Å²	115.6	53%	0.528	59%	0.588	S	S	.	*	H	α-helix	trans	-62.7	-40	175.9	-76.5	-176.1	-17.3	0	0	112.6	S5 Y6 E12 Q13	S5-Q9 PolarHBondContact O-N 3.13Å; S5-Q9 VanDerWaalsContact O-N 3.16Å; Y6-Q9 PolarHBondContact O-N 3.42Å; Q9-E12 PolarHBondContact O-N 3.45Å; Q9-Q13 WeakPolarHBondContact O-CG 3.31Å; Q9-Q13 PolarHBondContact O-N 3.27Å
10	L	68.5	Low	65.5	Low	75 Å²	75	114.4 Å²	114.4	39%	0.393	58%	0.583	S	S	.	*	H	α-helix	trans	-64.3	-40.6	176.7	-109.1	144.3	0	0	0	112.2	Y6 N7 N8 Q13 T14	Y6-L10 HydrophobicContact CD1-CD1 3.75Å; Y6-L10 HydrophobicContact CE1-CD1 3.23Å; Y6-L10 PolarHBondContact O-N 3.28Å; Y6-L10 VanDerWaalsContact O-N 3.11Å; N7-L10 PolarHBondContact O-N 3.3Å; N8-L10 VanDerWaalsContact C-N 3.35Å; N8-L10 PolarHBondContact O-N 3.16Å; L10-Q13 PolarHBondContact O-N 3.47Å; L10-T14 WeakPolarHBondContact O-CB 3.41Å; L10-T14 PolarHBondContact O-N 3.01Å; L10-T14 PolarHBondContact O-OG1 2.98Å
11	I	75.1	Confident	64.9	Low	89 Å²	89	115.9 Å²	115.9	46%	0.456	58%	0.582	S	S	.	*	H	α-helix	trans	-65.5	-42.4	176.7	-66.8	165.1	0	0	0	110.6	N7 N8 T14 K15	N7-I11 VanDerWaalsContact O-CG1 3.31Å; N7-I11 WeakPolarHBondContact O-CG1 3.38Å; N7-I11 PolarHBondContact O-N 3.24Å; N7-I11 VanDerWaalsContact O-N 3.13Å; N8-I11 PolarHBondContact O-N 3.06Å; I11-T14 PolarHBondContact O-N 3.48Å; I11-K15 HydrophobicContact CG2-CD 4.43Å; I11-K15 WeakPolarHBondContact O-CG 3.38Å; I11-K15 PolarHBondContact O-N 2.7Å
12	E	72.5	Confident	65.2	Low	142 Å²	142	109.9 Å²	109.9	66%	0.664	55%	0.553	S	S	*	*	H	α-helix	trans	-65.7	-43.1	176.5	-74	-162.1	163.4	0	0	112.7	N8 Q9 T14 K15 H16	N8-E12 PolarHBondContact O-N 3.36Å; Q9-E12 PolarHBondContact O-N 3.45Å; E12-T14 VanDerWaalsContact C-N 3.3Å; E12-T14 PolarHBondContact O-N 3.09Å; E12-K15 PolarHBondContact O-N 3.49Å; E12-H16 PolarHBondContact O-N 3.46Å
13	Q	68.6	Low	65.3	Low	135 Å²	135	108 Å²	108	63%	0.631	54%	0.543	S	S	*	.	H	α-helix	trans	-61.3	-40.6	175.4	-75.2	-177.6	2.6	0	0	111.8	Q9 L10 H16 F17	Q9-Q13 WeakPolarHBondContact O-CG 3.31Å; Q9-Q13 PolarHBondContact O-N 3.27Å; L10-Q13 PolarHBondContact O-N 3.47Å; Q13-H16 PolarHBondContact O-N 2.8Å; Q13-F17 WeakPolarHBondContact O-CB 3.38Å; Q13-F17 PolarHBondContact O-N 2.83Å
14	T	65	Low	65.1	Low	74 Å²	74	104.6 Å²	104.6	45%	0.454	53%	0.532	S	S	.	.	H	α-helix	trans	-66	-40	178.3	-51.5	0	0	0	0	111.4	L10 I11 E12 F17 N18	L10-T14 WeakPolarHBondContact O-CB 3.41Å; L10-T14 PolarHBondContact O-N 3.01Å; L10-T14 PolarHBondContact O-OG1 2.98Å; I11-T14 PolarHBondContact O-N 3.48Å; E12-T14 VanDerWaalsContact C-N 3.3Å; E12-T14 PolarHBondContact O-N 3.09Å; T14-F17 PolarHBondContact O-N 3.41Å; T14-N18 PolarHBondContact O-N 3.41Å; T14-N18 VanDerWaalsContact O-N 3.09Å
15	K	69.6	Low	64.6	Low	145 Å²	145	105.3 Å²	105.3	63%	0.63	53%	0.527	S	S	*	.	H	α-helix	trans	-62.7	-45.1	174.2	-75.2	177.7	-177.9	179	0	111.8	I11 E12 F17 N18 S19	I11-K15 HydrophobicContact CG2-CD 4.43Å; I11-K15 WeakPolarHBondContact O-CG 3.38Å; I11-K15 PolarHBondContact O-N 2.7Å; E12-K15 PolarHBondContact O-N 3.49Å; K15-F17 VanDerWaalsContact C-N 3.32Å; K15-F17 PolarHBondContact O-N 2.93Å; K15-N18 PolarHBondContact O-N 3.37Å; K15-S19 PolarHBondContact O-N 3.02Å
16	H	57.3	Low	63.7	Low	130 Å²	130	107.6 Å²	107.6	60%	0.602	53%	0.529	S	S	*	.	H	α-helix	trans	-66	-36	-179	-139.1	-58.4	0	0	0	112.2	E12 Q13 N20	E12-H16 PolarHBondContact O-N 3.46Å; Q13-H16 PolarHBondContact O-N 2.8Å; H16-N20 VanDerWaalsContact O-CG 3.29Å; H16-N20 PolarHBondContact O-N 3.11Å
17	F	57	Low	62.9	Low	145 Å²	145	106.2 Å²	106.2	64%	0.636	53%	0.526	S	S	*	.	H	α-helix	trans	-67.9	-42.7	176	-166.2	-92.8	0	0	0	112.3	Q13 T14 K15 N20 R21	Q13-F17 WeakPolarHBondContact O-CB 3.38Å; Q13-F17 PolarHBondContact O-N 2.83Å; T14-F17 PolarHBondContact O-N 3.41Å; K15-F17 VanDerWaalsContact C-N 3.32Å; K15-F17 PolarHBondContact O-N 2.93Å; F17-N20 PolarHBondContact O-N 2.81Å; F17-R21 PolarHBondContact O-N 2.89Å; F17-R21 VanDerWaalsContact O-N 3.11Å
18	N	57.7	Low	62	Low	86 Å²	86	106.4 Å²	106.4	46%	0.46	53%	0.53	S	S	.	.	H	α-helix	trans	-67.2	-37.6	178.6	-76.6	-17.3	0	0	0	112.7	T14 K15 R21 I22	T14-N18 PolarHBondContact O-N 3.41Å; T14-N18 VanDerWaalsContact O-N 3.09Å; K15-N18 PolarHBondContact O-N 3.37Å; N18-R21 PolarHBondContact O-N 3.49Å; N18-I22 WeakPolarHBondContact O-CG1 3.46Å; N18-I22 PolarHBondContact O-N 3.16Å; N18-I22 VanDerWaalsContact O-N 3.16Å
19	S	57.9	Low	61	Low	62 Å²	62	107.3 Å²	107.3	43%	0.434	54%	0.535	S	S	.	.	H	α-helix	trans	-60.5	-50.7	174.7	-167	0	0	0	0	111.4	K15 R21 I22 D23	K15-S19 PolarHBondContact O-N 3.02Å; S19-R21 PolarHBondContact O-N 3.13Å; S19-I22 PolarHBondContact O-N 3.28Å; S19-I22 VanDerWaalsContact O-N 3.16Å; S19-D23 PolarHBondContact O-N 3.11Å; S19-D23 VanDerWaalsContact O-N 3.13Å
20	N	58	Low	60.2	Low	91 Å²	91	106.5 Å²	106.5	49%	0.487	53%	0.534	S	S	.	.	H	α-helix	trans	-62	-30.6	-179.7	-68.5	-7.5	0	0	0	112.6	H16 F17 A24	H16-N20 VanDerWaalsContact O-CG 3.29Å; H16-N20 PolarHBondContact O-N 3.11Å; F17-N20 PolarHBondContact O-N 2.81Å; N20-A24 WeakPolarHBondContact O-CB 3.3Å; N20-A24 PolarHBondContact O-N 3.47Å; N20-A24 VanDerWaalsContact O-N 3.15Å
21	R	52.8	Low	59.8	Low	146 Å²	146	107.3 Å²	107.3	55%	0.551	54%	0.538	S	S	*	.	H	α-helix	trans	-70.1	-42.6	176.9	-176.7	176.6	170.4	174.1	-2.1	112	F17 N18 S19 D23 A24 E25	F17-R21 PolarHBondContact O-N 2.89Å; F17-R21 VanDerWaalsContact O-N 3.11Å; N18-R21 PolarHBondContact O-N 3.49Å; S19-R21 PolarHBondContact O-N 3.13Å; R21-D23 VanDerWaalsContact C-N 3.31Å; R21-D23 PolarHBondContact O-N 3.21Å; R21-A24 PolarHBondContact O-N 3.42Å; R21-E25 IonicContact CZ-OE1 3.53Å; R21-E25 IonicContact NE-OE1 3.74Å; R21-E25 PolarHBondContact NE-OE1 2.9Å; R21-E25 IonicContact NH2-OE1 3.24Å; R21-E25 PolarHBondContact NH2-OE1 3.16Å; R21-E25 PolarHBondContact O-N 2.98Å
22	I	54	Low	59.2	Low	111 Å²	111	105.7 Å²	105.7	57%	0.569	54%	0.535	S	S	*	.	H	α-helix	trans	-62.9	-42.1	177.4	-64.7	166.3	0	0	0	109.9	N18 S19 A24 E25 H26	N18-I22 WeakPolarHBondContact O-CG1 3.46Å; N18-I22 PolarHBondContact O-N 3.16Å; N18-I22 VanDerWaalsContact O-N 3.16Å; S19-I22 PolarHBondContact O-N 3.28Å; S19-I22 VanDerWaalsContact O-N 3.16Å; I22-A24 VanDerWaalsContact C-N 3.32Å; I22-A24 PolarHBondContact O-N 3.34Å; I22-E25 PolarHBondContact O-N 3.35Å; I22-H26 WeakPolarHBondContact O-CB 3.43Å; I22-H26 PolarHBondContact O-N 3.19Å
23	D	59.4	Low	59	Low	98 Å²	98	100.7 Å²	100.7	52%	0.524	52%	0.522	S	S	.	.	H	α-helix	trans	-62.1	-39.5	177.2	-64.4	-33.1	0	0	0	112.1	S19 R21 F27	S19-D23 PolarHBondContact O-N 3.11Å; S19-D23 VanDerWaalsContact O-N 3.13Å; R21-D23 VanDerWaalsContact C-N 3.31Å; R21-D23 PolarHBondContact O-N 3.21Å; D23-F27 WeakPolarHBondContact O-CB 3.44Å; D23-F27 PolarHBondContact O-N 2.88Å
24	A	58.2	Low	58.9	Low	55 Å²	55	101.3 Å²	101.3	46%	0.455	52%	0.519	S	S	.	.	H	α-helix	trans	-69.4	-42.5	178.2	0	0	0	0	0	112.6	N20 R21 I22 F27 V28	N20-A24 WeakPolarHBondContact O-CB 3.3Å; N20-A24 PolarHBondContact O-N 3.47Å; N20-A24 VanDerWaalsContact O-N 3.15Å; R21-A24 PolarHBondContact O-N 3.42Å; I22-A24 VanDerWaalsContact C-N 3.32Å; I22-A24 PolarHBondContact O-N 3.34Å; A24-F27 PolarHBondContact O-N 3.27Å; A24-V28 WeakPolarHBondContact O-CG2 3.43Å; A24-V28 PolarHBondContact O-N 2.96Å; A24-V28 VanDerWaalsContact O-N 3.13Å
25	E	57.1	Low	58.8	Low	100 Å²	100	104.5 Å²	104.5	47%	0.467	53%	0.527	S	S	.	.	H	α-helix	trans	-63.9	-42.9	176.9	-71.3	179.9	-170.6	0	0	110.5	R21 I22 F27 V28 D29	R21-E25 IonicContact CZ-OE1 3.53Å; R21-E25 IonicContact NE-OE1 3.74Å; R21-E25 PolarHBondContact NE-OE1 2.9Å; R21-E25 IonicContact NH2-OE1 3.24Å; R21-E25 PolarHBondContact NH2-OE1 3.16Å; R21-E25 PolarHBondContact O-N 2.98Å; I22-E25 PolarHBondContact O-N 3.35Å; E25-F27 VanDerWaalsContact C-N 3.32Å; E25-F27 PolarHBondContact O-N 2.96Å; E25-V28 PolarHBondContact O-N 2.73Å; E25-D29 PolarHBondContact O-N 2.95Å
26	H	53.7	Low	58.8	Low	123 Å²	123	102.4 Å²	102.4	57%	0.569	52%	0.521	S	S	*	.	H	α-helix	trans	-67.3	-29.8	176.9	-156.7	-68.3	0	0	0	113.2	I22 I30	I22-H26 WeakPolarHBondContact O-CB 3.43Å; I22-H26 PolarHBondContact O-N 3.19Å; H26-I30 WeakPolarHBondContact ND1-CD1 3.49Å; H26-I30 WeakPolarHBondContact O-CD1 3.48Å; H26-I30 VanDerWaalsContact O-CG1 3.3Å; H26-I30 WeakPolarHBondContact O-CG1 3.39Å; H26-I30 PolarHBondContact O-N 3.44Å
27	F	51.7	Low	59.3	Low	126 Å²	126	103.4 Å²	103.4	55%	0.553	52%	0.521	S	S	*	.	H	α-helix	trans	-71	-42	175.7	-168.6	-93.6	0	0	0	112.2	D23 A24 E25 D29 I30 D31	D23-F27 WeakPolarHBondContact O-CB 3.44Å; D23-F27 PolarHBondContact O-N 2.88Å; A24-F27 PolarHBondContact O-N 3.27Å; E25-F27 VanDerWaalsContact C-N 3.32Å; E25-F27 PolarHBondContact O-N 2.96Å; F27-D29 VanDerWaalsContact C-N 3.31Å; F27-D29 PolarHBondContact O-N 3.09Å; F27-I30 PolarHBondContact O-N 3.38Å; F27-D31 WeakPolarHBondContact CE1-OD2 3.5Å; F27-D31 PolarHBondContact O-N 3.35Å
28	V	56	Low	59.7	Low	94 Å²	94	98.5 Å²	98.5	57%	0.57	50%	0.501	S	S	*	.	H	α-helix	trans	-63.8	-38.4	178.6	174.4	0	0	0	0	111.2	A24 E25 S32	A24-V28 WeakPolarHBondContact O-CG2 3.43Å; A24-V28 PolarHBondContact O-N 2.96Å; A24-V28 VanDerWaalsContact O-N 3.13Å; E25-V28 PolarHBondContact O-N 2.73Å; V28-S32 WeakPolarHBondContact O-CB 3.38Å; V28-S32 PolarHBondContact O-N 3.4Å; V28-S32 VanDerWaalsContact O-N 3.09Å
29	D	56.7	Low	60.1	Low	113 Å²	113	101.4 Å²	101.4	60%	0.604	51%	0.51	S	S	*	.	H	α-helix	trans	-67.7	-40	178.8	-76.8	-16.9	0	0	0	112.6	E25 F27 S32 G33	E25-D29 PolarHBondContact O-N 2.95Å; F27-D29 VanDerWaalsContact C-N 3.31Å; F27-D29 PolarHBondContact O-N 3.09Å; D29-S32 PolarHBondContact O-N 3.34Å; D29-S32 PolarHBondContact O-OG 3.38Å; D29-G33 PolarHBondContact O-N 3.22Å
30	I	58.3	Low	60.6	Low	97 Å²	97	104.8 Å²	104.8	50%	0.497	52%	0.519	S	S	.	.	H	α-helix	trans	-63	-47	177.2	-68	167.1	0	0	0	111.1	H26 F27 S32 G33 Y34	H26-I30 WeakPolarHBondContact ND1-CD1 3.49Å; H26-I30 WeakPolarHBondContact O-CD1 3.48Å; H26-I30 VanDerWaalsContact O-CG1 3.3Å; H26-I30 WeakPolarHBondContact O-CG1 3.39Å; H26-I30 PolarHBondContact O-N 3.44Å; F27-I30 PolarHBondContact O-N 3.38Å; I30-S32 VanDerWaalsContact C-N 3.31Å; I30-S32 PolarHBondContact O-N 3.13Å; I30-G33 PolarHBondContact O-N 3Å; I30-Y34 WeakPolarHBondContact O-CB 3.27Å; I30-Y34 PolarHBondContact O-N 3.39Å
31	D	59.9	Low	61	Low	91 Å²	91	106.2 Å²	106.2	49%	0.487	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-39.7	-179.9	-85.2	-13.6	0	0	0	111.4	F27 F35	F27-D31 WeakPolarHBondContact CE1-OD2 3.5Å; F27-D31 PolarHBondContact O-N 3.35Å; D31-F35 WeakPolarHBondContact O-CB 3.1Å; D31-F35 PolarHBondContact O-N 3.01Å; D31-F35 VanDerWaalsContact O-N 3.09Å
32	S	62.3	Low	61.5	Low	56 Å²	56	106.7 Å²	106.7	39%	0.392	52%	0.521	S	S	.	.	H	α-helix	trans	-67.9	-44	178.6	79.8	0	0	0	0	112.1	V28 D29 I30 F35 I36	V28-S32 WeakPolarHBondContact O-CB 3.38Å; V28-S32 PolarHBondContact O-N 3.4Å; V28-S32 VanDerWaalsContact O-N 3.09Å; D29-S32 PolarHBondContact O-N 3.34Å; D29-S32 PolarHBondContact O-OG 3.38Å; I30-S32 VanDerWaalsContact C-N 3.31Å; I30-S32 PolarHBondContact O-N 3.13Å; S32-F35 PolarHBondContact O-N 3.32Å; S32-I36 VanDerWaalsContact O-CG1 3.27Å; S32-I36 WeakPolarHBondContact O-CG1 3.44Å; S32-I36 PolarHBondContact O-N 2.92Å
33	G	66.8	Low	61.7	Low	37 Å²	37	105.8 Å²	105.8	38%	0.381	53%	0.525	S	S	.	.	H	α-helix	trans	-64	-43.6	179	0	0	0	0	0	112.4	D29 I30 F35 I36 Y37	D29-G33 PolarHBondContact O-N 3.22Å; I30-G33 PolarHBondContact O-N 3Å; G33-F35 VanDerWaalsContact C-N 3.34Å; G33-F35 PolarHBondContact O-N 3.02Å; G33-I36 PolarHBondContact O-N 3.25Å; G33-Y37 WeakPolarHBondContact O-CB 3.45Å; G33-Y37 PolarHBondContact O-N 3.27Å
34	Y	68	Low	61.8	Low	147 Å²	147	105.2 Å²	105.2	58%	0.576	53%	0.529	S	S	*	.	H	α-helix	trans	-64.1	-39.5	176.4	-174.9	-109.5	0	0	0	112	I30 Y37 L38	I30-Y34 WeakPolarHBondContact O-CB 3.27Å; I30-Y34 PolarHBondContact O-N 3.39Å; Y34-Y37 PolarHBondContact O-N 2.91Å; Y34-L38 HydrophobicContact CD1-CD1 3.6Å; Y34-L38 HydrophobicContact CD1-CG 4.41Å; Y34-L38 HydrophobicContact CE1-CD1 3.19Å; Y34-L38 HydrophobicContact CE1-CG 4.07Å; Y34-L38 HydrophobicContact CE2-CD1 4.38Å; Y34-L38 HydrophobicContact CE2-CG 4.42Å; Y34-L38 HydrophobicContact CG-CD1 4.35Å; Y34-L38 WeakPolarHBondContact O-CB 3.38Å; Y34-L38 WeakPolarHBondContact O-CG 3.2Å; Y34-L38 PolarHBondContact O-N 3.45Å
35	F	61.5	Low	61.8	Low	141 Å²	141	108.4 Å²	108.4	62%	0.618	53%	0.532	S	S	*	.	H	α-helix	trans	-66.2	-40.7	176.6	-169.2	-97.2	0	0	0	112.3	D31 S32 G33 L38 K39	D31-F35 WeakPolarHBondContact O-CB 3.1Å; D31-F35 PolarHBondContact O-N 3.01Å; D31-F35 VanDerWaalsContact O-N 3.09Å; S32-F35 PolarHBondContact O-N 3.32Å; G33-F35 VanDerWaalsContact C-N 3.34Å; G33-F35 PolarHBondContact O-N 3.02Å; F35-L38 PolarHBondContact O-N 3.15Å; F35-K39 VanDerWaalsContact O-CB 3.32Å; F35-K39 WeakPolarHBondContact O-CB 3.37Å; F35-K39 PolarHBondContact O-N 3.34Å
36	I	70.1	Confident	62.1	Low	101 Å²	101	112.1 Å²	112.1	52%	0.518	55%	0.547	S	S	.	.	H	α-helix	trans	-64.4	-45	175.7	-66.8	165.1	0	0	0	110.4	S32 G33 L38 K39 Q40	S32-I36 VanDerWaalsContact O-CG1 3.27Å; S32-I36 WeakPolarHBondContact O-CG1 3.44Å; S32-I36 PolarHBondContact O-N 2.92Å; G33-I36 PolarHBondContact O-N 3.25Å; I36-L38 PolarHBondContact O-N 3.49Å; I36-K39 PolarHBondContact O-N 3.34Å; I36-Q40 WeakPolarHBondContact O-CB 3.47Å; I36-Q40 PolarHBondContact O-N 2.97Å
37	Y	69	Low	62.5	Low	151 Å²	151	112.1 Å²	112.1	59%	0.592	56%	0.558	S	S	*	*	H	α-helix	trans	-59.1	-48	176.6	178.9	-98.6	0	0	0	112	G33 Y34 K39 Q40 Y41	G33-Y37 WeakPolarHBondContact O-CB 3.45Å; G33-Y37 PolarHBondContact O-N 3.27Å; Y34-Y37 PolarHBondContact O-N 2.91Å; Y37-K39 PolarHBondContact O-N 3.44Å; Y37-Q40 PolarHBondContact O-N 3.06Å; Y37-Y41 WeakPolarHBondContact O-CB 3.45Å; Y37-Y41 PolarHBondContact O-N 2.93Å
38	L	65.1	Low	63.1	Low	43 Å²	43	111.7 Å²	111.7	23%	0.225	56%	0.561	C	S	.	*	H	α-helix	trans	-60.4	-45.7	175.7	-77.9	168	0	0	0	111.5	Y34 F35 I36 Q40 Y41 Y42	Y34-L38 HydrophobicContact CD1-CD1 3.6Å; Y34-L38 HydrophobicContact CD1-CG 4.41Å; Y34-L38 HydrophobicContact CE1-CD1 3.19Å; Y34-L38 HydrophobicContact CE1-CG 4.07Å; Y34-L38 HydrophobicContact CE2-CD1 4.38Å; Y34-L38 HydrophobicContact CE2-CG 4.42Å; Y34-L38 HydrophobicContact CG-CD1 4.35Å; Y34-L38 WeakPolarHBondContact O-CB 3.38Å; Y34-L38 WeakPolarHBondContact O-CG 3.2Å; Y34-L38 PolarHBondContact O-N 3.45Å; F35-L38 PolarHBondContact O-N 3.15Å; I36-L38 PolarHBondContact O-N 3.49Å; L38-Q40 VanDerWaalsContact C-N 3.28Å; L38-Q40 PolarHBondContact O-N 3.43Å; L38-Y41 PolarHBondContact O-N 3.47Å; L38-Y42 HydrophobicContact CB-CD2 4.36Å; L38-Y42 HydrophobicContact CB-CE2 4.29Å; L38-Y42 HydrophobicContact CD2-CE2 3.73Å; L38-Y42 WeakPolarHBondContact O-CD2 3.44Å; L38-Y42 PolarHBondContact O-N 3.3Å
39	K	65.1	Low	63.9	Low	147 Å²	147	111.3 Å²	111.3	64%	0.639	56%	0.56	S	S	*	*	H	α-helix	trans	-59.6	-41.3	179.1	-169.1	-179.1	-177.1	-174.8	0	111.3	F35 I36 Y37 S43	F35-K39 VanDerWaalsContact O-CB 3.32Å; F35-K39 WeakPolarHBondContact O-CB 3.37Å; F35-K39 PolarHBondContact O-N 3.34Å; I36-K39 PolarHBondContact O-N 3.34Å; Y37-K39 PolarHBondContact O-N 3.44Å; K39-S43 WeakPolarHBondContact O-CB 3.32Å; K39-S43 PolarHBondContact O-N 3.09Å
40	Q	69.9	Low	64.8	Low	133 Å²	133	112.4 Å²	112.4	62%	0.621	57%	0.565	S	S	*	*	H	α-helix	trans	-68.3	-42	177.7	-169.2	149.1	15.6	0	0	112.1	I36 Y37 L38 S43 S44	I36-Q40 WeakPolarHBondContact O-CB 3.47Å; I36-Q40 PolarHBondContact O-N 2.97Å; Y37-Q40 PolarHBondContact O-N 3.06Å; L38-Q40 VanDerWaalsContact C-N 3.28Å; L38-Q40 PolarHBondContact O-N 3.43Å; Q40-S43 PolarHBondContact O-N 3.02Å; Q40-S43 PolarHBondContact O-OG 3.4Å; Q40-S44 PolarHBondContact O-N 3.43Å; Q40-S44 PolarHBondContact O-OG 3.4Å; Q40-S44 VanDerWaalsContact O-OG 3.06Å
41	Y	66.2	Low	65.6	Low	120 Å²	120	113.6 Å²	113.6	47%	0.471	57%	0.572	S	S	.	*	H	α-helix	trans	-60	-48.4	175.7	-169.1	-98.1	0	0	0	111.6	Y37 L38 S44 F45	Y37-Y41 WeakPolarHBondContact O-CB 3.45Å; Y37-Y41 PolarHBondContact O-N 2.93Å; L38-Y41 PolarHBondContact O-N 3.47Å; Y41-S44 PolarHBondContact O-N 3.21Å; Y41-F45 HydrophobicContact CD1-CD2 4.32Å; Y41-F45 HydrophobicContact CD1-CE2 4.05Å; Y41-F45 HydrophobicContact CE1-CD2 4.13Å; Y41-F45 AromaticContact CE1-CE2 3.44Å; Y41-F45 HydrophobicContact CE1-CE2 3.44Å; Y41-F45 VanDerWaalsContact CE1-CE2 3.44Å; Y41-F45 HydrophobicContact CE1-CZ 4.32Å; Y41-F45 HydrophobicContact CE2-CE2 4.47Å; Y41-F45 AromaticContact CZ-CE2 3.68Å; Y41-F45 WeakPolarHBondContact O-CD2 3.06Å
42	Y	62.4	Low	66.5	Low	156 Å²	156	112.9 Å²	112.9	61%	0.612	57%	0.568	S	S	*	*	H	α-helix	trans	-73.3	-27.7	179.6	-70	-67	0	0	0	113.9	L38 S44 F45	L38-Y42 HydrophobicContact CB-CD2 4.36Å; L38-Y42 HydrophobicContact CB-CE2 4.29Å; L38-Y42 HydrophobicContact CD2-CE2 3.73Å; L38-Y42 WeakPolarHBondContact O-CD2 3.44Å; L38-Y42 PolarHBondContact O-N 3.3Å; Y42-S44 PolarHBondContact O-N 3.06Å; Y42-F45 PolarHBondContact O-N 3.33Å
43	S	59	Low	67.4	Low	92 Å²	92	114.7 Å²	114.7	64%	0.643	57%	0.572	S	S	*	*	H	α-helix	trans	-67.1	-28.1	174	82.3	0	0	0	0	112.6	K39 Q40 F45	K39-S43 WeakPolarHBondContact O-CB 3.32Å; K39-S43 PolarHBondContact O-N 3.09Å; Q40-S43 PolarHBondContact O-N 3.02Å; Q40-S43 PolarHBondContact O-OG 3.4Å; S43-F45 VanDerWaalsContact C-N 3.32Å
44	S	60	Low	68.1	Low	87 Å²	87	117.3 Å²	117.3	61%	0.608	58%	0.577	S	S	*	*	H	α-helix	trans	-78.1	-18.9	178.3	-57.2	0	0	0	0	112.5	Q40 Y41 Y42 K46	Q40-S44 PolarHBondContact O-N 3.43Å; Q40-S44 PolarHBondContact O-OG 3.4Å; Q40-S44 VanDerWaalsContact O-OG 3.06Å; Y41-S44 PolarHBondContact O-N 3.21Å; Y42-S44 PolarHBondContact O-N 3.06Å; S44-K46 VanDerWaalsContact C-N 3.28Å; S44-K46 PolarHBondContact O-N 3.27Å
45	F	59.2	Low	68.6	Low	121 Å²	121	114.2 Å²	114.2	53%	0.531	57%	0.57	S	S	.	*	S	Bend	trans	-74.2	85.7	169.5	-89.3	-91.6	0	0	0	109.3	Y41 Y42 S43	Y41-F45 HydrophobicContact CD1-CD2 4.32Å; Y41-F45 HydrophobicContact CD1-CE2 4.05Å; Y41-F45 HydrophobicContact CE1-CD2 4.13Å; Y41-F45 AromaticContact CE1-CE2 3.44Å; Y41-F45 HydrophobicContact CE1-CE2 3.44Å; Y41-F45 VanDerWaalsContact CE1-CE2 3.44Å; Y41-F45 HydrophobicContact CE1-CZ 4.32Å; Y41-F45 HydrophobicContact CE2-CE2 4.47Å; Y41-F45 AromaticContact CZ-CE2 3.68Å; Y41-F45 WeakPolarHBondContact O-CD2 3.06Å; Y42-F45 PolarHBondContact O-N 3.33Å; S43-F45 VanDerWaalsContact C-N 3.32Å
46	K	63.3	Low	69.6	Low	179 Å²	179	112.2 Å²	112.2	78%	0.778	56%	0.564	S	S	*	*			trans	-49.5	125.1	163.9	-66.2	179.2	-177.7	177.1	0	107.2	S44 L48	S44-K46 VanDerWaalsContact C-N 3.28Å; S44-K46 PolarHBondContact O-N 3.27Å; K46-L48 PolarHBondContact O-N 3.02Å
47	P	63.1	Low	70.2	Confident	123 Å²	123	111 Å²	111	80%	0.799	56%	0.558	S	S	*	*			trans	-58.6	113.2	-178.9	23.5	-32.3	0	0	0	107.5
48	L	63	Low	70.7	Confident	116 Å²	116	108.6 Å²	108.6	61%	0.607	55%	0.554	S	S	*	*			trans	-53.6	126.8	171.3	-82.3	131.9	0	0	0	106.9	K46 L50 L52	K46-L48 PolarHBondContact O-N 3.02Å; L48-L50 PolarHBondContact O-N 2.91Å; L48-L52 HydrophobicContact CD2-CD2 3.65Å
49	P	74	Confident	71.3	Confident	86 Å²	86	113.1 Å²	113.1	56%	0.558	58%	0.576	S	S	*	*			trans	-56.2	130.6	-178.1	21	-30.6	0	0	0	108.3	L51 L52	P49-L51 PolarHBondContact O-N 3.39Å; P49-L52 HydrophobicContact CG-CB 4.2Å; P49-L52 WeakPolarHBondContact O-CB 3.45Å; P49-L52 PolarHBondContact O-N 2.96Å
50	L	74.8	Confident	71.7	Confident	136 Å²	136	109.6 Å²	109.6	71%	0.712	57%	0.574	S	S	*	*	H	α-helix	trans	-48.6	-30.5	-176.2	-76.2	166.2	0	0	0	112.9	L48 L53 I54	L48-L50 PolarHBondContact O-N 2.91Å; L50-L53 WeakPolarHBondContact O-CB 3.4Å; L50-L53 PolarHBondContact O-N 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.43Å; L50-I54 PolarHBondContact O-N 2.92Å
51	L	75.6	Confident	71.7	Confident	123 Å²	123	112.6 Å²	112.6	64%	0.644	58%	0.581	S	S	*	*	H	α-helix	trans	-59.9	-42.2	175.3	-171.7	140.6	0	0	0	112.9	P49 I54 I55	P49-L51 PolarHBondContact O-N 3.39Å; L51-I54 PolarHBondContact O-N 3.24Å; L51-I55 HydrophobicContact CD2-CD1 3.59Å; L51-I55 HydrophobicContact CD2-CG1 4.48Å; L51-I55 HydrophobicContact CG-CD1 4.5Å; L51-I55 WeakPolarHBondContact O-CG1 3.42Å; L51-I55 PolarHBondContact O-N 2.92Å
52	L	78.5	Confident	71.6	Confident	75 Å²	75	111.4 Å²	111.4	39%	0.393	59%	0.59	S	S	.	*	H	α-helix	trans	-69.4	-36.2	178.7	-164.1	136.3	0	0	0	111.6	L48 P49 I54 I55 I56	L48-L52 HydrophobicContact CD2-CD2 3.65Å; P49-L52 HydrophobicContact CG-CB 4.2Å; P49-L52 WeakPolarHBondContact O-CB 3.45Å; P49-L52 PolarHBondContact O-N 2.96Å; L52-I54 VanDerWaalsContact C-N 3.34Å; L52-I54 PolarHBondContact O-N 3.37Å; L52-I55 PolarHBondContact O-N 3.39Å; L52-I56 HydrophobicContact CD2-CD1 3.63Å; L52-I56 HydrophobicContact CD2-CG1 4.41Å; L52-I56 WeakPolarHBondContact O-CG1 3.47Å; L52-I56 PolarHBondContact O-N 3.11Å; L52-I56 VanDerWaalsContact O-N 3.07Å
53	L	80	Confident	71	Confident	94 Å²	94	106.3 Å²	106.3	49%	0.492	59%	0.585	S	S	.	*	H	α-helix	trans	-60.3	-43.9	171.2	-174.4	81.1	0	0	0	111.3	L50 I56 I57	L50-L53 WeakPolarHBondContact O-CB 3.4Å; L50-L53 PolarHBondContact O-N 3.29Å; L53-I56 PolarHBondContact O-N 3.16Å; L53-I57 HydrophobicContact CD2-CD1 4.45Å; L53-I57 HydrophobicContact CG-CD1 4.07Å; L53-I57 WeakPolarHBondContact O-CD1 3.32Å; L53-I57 VanDerWaalsContact O-CG1 3.22Å; L53-I57 WeakPolarHBondContact O-CG1 3.41Å; L53-I57 PolarHBondContact O-N 3.46Å
54	I	81.6	Confident	70.4	Confident	93 Å²	93	112.3 Å²	112.3	48%	0.477	60%	0.595	S	S	.	*	H	α-helix	trans	-64.5	-41.8	178.5	-68.9	161.4	0	0	0	111.2	L50 L51 L52 I57 I58	L50-I54 WeakPolarHBondContact O-CG1 3.43Å; L50-I54 PolarHBondContact O-N 2.92Å; L51-I54 PolarHBondContact O-N 3.24Å; L52-I54 VanDerWaalsContact C-N 3.34Å; L52-I54 PolarHBondContact O-N 3.37Å; I54-I57 WeakPolarHBondContact O-CB 3.49Å; I54-I57 PolarHBondContact O-N 3.5Å; I54-I58 HydrophobicContact CG2-CD1 3.81Å; I54-I58 HydrophobicContact CG2-CG1 4.39Å; I54-I58 WeakPolarHBondContact O-CG1 3.41Å; I54-I58 PolarHBondContact O-N 3.06Å
55	I	80.1	Confident	69.8	Low	82 Å²	82	113.2 Å²	113.2	42%	0.421	60%	0.602	S	S	.	*	H	α-helix	trans	-61.9	-45.8	177.3	-68	168.9	0	0	0	111.1	L51 L52 I57 I58 M59	L51-I55 HydrophobicContact CD2-CD1 3.59Å; L51-I55 HydrophobicContact CD2-CG1 4.48Å; L51-I55 HydrophobicContact CG-CD1 4.5Å; L51-I55 WeakPolarHBondContact O-CG1 3.42Å; L51-I55 PolarHBondContact O-N 2.92Å; L52-I55 PolarHBondContact O-N 3.39Å; I55-I57 VanDerWaalsContact C-N 3.27Å; I55-I57 PolarHBondContact O-N 3.39Å; I55-I58 PolarHBondContact O-N 3.26Å; I55-I58 VanDerWaalsContact O-N 3.16Å; I55-M59 HydrophobicContact CG2-SD 4.42Å; I55-M59 PolarHBondContact O-N 3.42Å
56	I	81.4	Confident	69	Low	98 Å²	98	113.4 Å²	113.4	50%	0.503	61%	0.612	S	S	.	*	H	α-helix	trans	-59.3	-41.9	176.7	-68.1	167.9	0	0	0	110.6	L52 L53 M59 A60	L52-I56 HydrophobicContact CD2-CD1 3.63Å; L52-I56 HydrophobicContact CD2-CG1 4.41Å; L52-I56 WeakPolarHBondContact O-CG1 3.47Å; L52-I56 PolarHBondContact O-N 3.11Å; L52-I56 VanDerWaalsContact O-N 3.07Å; L53-I56 PolarHBondContact O-N 3.16Å; I56-M59 PolarHBondContact O-N 2.94Å; I56-A60 VanDerWaalsContact O-CB 3.29Å; I56-A60 WeakPolarHBondContact O-CB 3.46Å; I56-A60 PolarHBondContact O-N 3.04Å
57	I	82.6	Confident	68.3	Low	76 Å²	76	110.8 Å²	110.8	39%	0.39	61%	0.607	S	S	.	*	H	α-helix	trans	-61	-48.1	176	-73	168.5	0	0	0	110.4	L53 I54 I55 M59 A60 Y61	L53-I57 HydrophobicContact CD2-CD1 4.45Å; L53-I57 HydrophobicContact CG-CD1 4.07Å; L53-I57 WeakPolarHBondContact O-CD1 3.32Å; L53-I57 VanDerWaalsContact O-CG1 3.22Å; L53-I57 WeakPolarHBondContact O-CG1 3.41Å; L53-I57 PolarHBondContact O-N 3.46Å; I54-I57 WeakPolarHBondContact O-CB 3.49Å; I54-I57 PolarHBondContact O-N 3.5Å; I55-I57 VanDerWaalsContact C-N 3.27Å; I55-I57 PolarHBondContact O-N 3.39Å; I57-M59 PolarHBondContact O-N 3.28Å; I57-A60 PolarHBondContact O-N 3.46Å; I57-Y61 HydrophobicContact CG2-CD2 3.56Å; I57-Y61 HydrophobicContact CG2-CE2 3.63Å; I57-Y61 WeakPolarHBondContact O-CD2 3.38Å; I57-Y61 PolarHBondContact O-N 3.06Å
58	I	80.1	Confident	67.3	Low	101 Å²	101	112.8 Å²	112.8	52%	0.518	61%	0.611	S	S	.	*	H	α-helix	trans	-61.6	-46.2	179.4	-68	166.6	0	0	0	110.8	I54 I55 A60 Y61 S62	I54-I58 HydrophobicContact CG2-CD1 3.81Å; I54-I58 HydrophobicContact CG2-CG1 4.39Å; I54-I58 WeakPolarHBondContact O-CG1 3.41Å; I54-I58 PolarHBondContact O-N 3.06Å; I55-I58 PolarHBondContact O-N 3.26Å; I55-I58 VanDerWaalsContact O-N 3.16Å; I58-A60 VanDerWaalsContact C-N 3.33Å; I58-A60 PolarHBondContact O-N 3.33Å; I58-Y61 CarbonylContact O-C 3.58Å; I58-Y61 PolarHBondContact O-N 2.73Å; I58-S62 WeakPolarHBondContact O-CB 3.5Å; I58-S62 PolarHBondContact O-N 2.92Å
59	M	76.7	Confident	66.7	Low	138 Å²	138	111.3 Å²	111.3	68%	0.68	61%	0.61	S	S	*	*	H	α-helix	trans	-61.7	-41.4	177.4	-71	-171.5	74.2	0	0	111.9	I55 I56 I57 Y61 S62 G63	I55-M59 HydrophobicContact CG2-SD 4.42Å; I55-M59 PolarHBondContact O-N 3.42Å; I56-M59 PolarHBondContact O-N 2.94Å; I57-M59 PolarHBondContact O-N 3.28Å; M59-Y61 VanDerWaalsContact C-N 3.31Å; M59-Y61 PolarHBondContact O-N 3Å; M59-S62 PolarHBondContact O-N 3.48Å; M59-G63 PolarHBondContact O-N 3.34Å
60	A	74.6	Confident	65.3	Low	72 Å²	72	115 Å²	115	60%	0.595	63%	0.626	S	S	*	*	H	α-helix	trans	-64.9	-33.5	176.4	0	0	0	0	0	112.8	I56 I57 I58	I56-A60 VanDerWaalsContact O-CB 3.29Å; I56-A60 WeakPolarHBondContact O-CB 3.46Å; I56-A60 PolarHBondContact O-N 3.04Å; I57-A60 PolarHBondContact O-N 3.46Å; I58-A60 VanDerWaalsContact C-N 3.33Å; I58-A60 PolarHBondContact O-N 3.33Å
61	Y	69.7	Low	63.9	Low	197 Å²	197	112.7 Å²	112.7	77%	0.773	62%	0.621	S	S	*	*	H	α-helix	trans	-82.4	-27.9	175.8	-80.9	-68.2	0	0	0	113.4	I57 I58 M59	I57-Y61 HydrophobicContact CG2-CD2 3.56Å; I57-Y61 HydrophobicContact CG2-CE2 3.63Å; I57-Y61 WeakPolarHBondContact O-CD2 3.38Å; I57-Y61 PolarHBondContact O-N 3.06Å; I58-Y61 CarbonylContact O-C 3.58Å; I58-Y61 PolarHBondContact O-N 2.73Å; M59-Y61 VanDerWaalsContact C-N 3.31Å; M59-Y61 PolarHBondContact O-N 3Å
62	S	63.2	Low	62.4	Low	95 Å²	95	115 Å²	115	66%	0.664	63%	0.633	S	S	*	*	H	α-helix	trans	-85.6	-6.9	-177.3	-162.3	0	0	0	0	113.6	I58 M59	I58-S62 WeakPolarHBondContact O-CB 3.5Å; I58-S62 PolarHBondContact O-N 2.92Å; M59-S62 PolarHBondContact O-N 3.48Å
63	G	49.8	Very low	60.8	Low	48 Å²	48	118.9 Å²	118.9	50%	0.495	65%	0.65	S	S	.	*	S	Bend	trans	-86.7	6.2	-172.8	0	0	0	0	0	117.4	M59	M59-G63 PolarHBondContact O-N 3.34Å
64	Y	46.6	Very low	59	Low	218 Å²	218	119.9 Å²	119.9	86%	0.855	66%	0.66	S	S	*	*			trans	-127.5	69.9	175.1	-75.2	-78.7	0	0	0	111.3
65	S	48.3	Very low	57.1	Low	107 Å²	107	123.3 Å²	123.3	75%	0.748	68%	0.679	S	S	*	*			trans	-138.5	52.1	151.8	-170.1	0	0	0	0	108.7	D67	S65-D67 PolarHBondContact O-N 3.35Å
66	T	42.3	Very low	55.2	Low	124 Å²	124	125.2 Å²	125.2	76%	0.761	70%	0.695	S	S	*	*			trans	-85.4	74	161	49.4	0	0	0	0	107.7
67	D	48.7	Very low	53.7	Low	125 Å²	125	130.5 Å²	130.5	67%	0.668	71%	0.71	S	S	*	*			trans	-132.2	83.5	156	-160.8	-3.8	0	0	0	107	S65 S69	S65-D67 PolarHBondContact O-N 3.35Å; D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 2.92Å; D67-S69 VanDerWaalsContact O-N 3.1Å
68	N	41	Very low	52.2	Low	164 Å²	164	132.7 Å²	132.7	88%	0.877	73%	0.729	S	S	*	*			trans	-69.9	90.6	162.9	-66.1	-14.6	0	0	0	106.2
69	S	50.1	Low	50.7	Low	85 Å²	85	135.7 Å²	135.7	59%	0.594	75%	0.745	S	S	*	*			trans	-108.1	103.8	159.5	38.4	0	0	0	0	108.3	D67 S71	D67-S69 VanDerWaalsContact C-N 3.27Å; D67-S69 PolarHBondContact O-N 2.92Å; D67-S69 VanDerWaalsContact O-N 3.1Å; S69-S71 PolarHBondContact O-N 3.23Å
70	D	44.7	Very low	49.2	Very low	165 Å²	165	138.7 Å²	138.7	88%	0.882	76%	0.755	S	S	*	*			trans	-38.6	120.2	163.7	-93.7	-32	0	0	0	110.3
71	S	45.6	Very low	48.1	Very low	87 Å²	87	143.9 Å²	143.9	61%	0.608	77%	0.767	S	S	*	*			trans	-147	84.9	158.7	50.5	0	0	0	0	107.6	S69 Q73	S69-S71 PolarHBondContact O-N 3.23Å; S71-Q73 PolarHBondContact O-N 3.24Å
72	D	44.3	Very low	47.1	Very low	170 Å²	170	143.9 Å²	143.9	91%	0.909	77%	0.771	S	S	*	*			trans	-55.2	81.5	147.7	-78.3	-29	0	0	0	107.4
73	Q	44.4	Very low	46.6	Very low	158 Å²	158	144 Å²	144	74%	0.738	77%	0.771	S	S	*	*			trans	-133.9	85.3	-179.6	-132.4	173.8	-10.2	0	0	109.8	S71	S71-Q73 PolarHBondContact O-N 3.24Å
74	T	42.5	Very low	46.7	Very low	115 Å²	115	148.1 Å²	148.1	71%	0.706	79%	0.787	S	S	*	*			trans	3.9	115.2	143.7	52.6	0	0	0	0	114.8	T76	T74-T76 PolarHBondContact O-N 3.1Å
75	N	41.3	Very low	46.9	Very low	164 Å²	164	144.9 Å²	144.9	88%	0.877	78%	0.784	S	S	*	*			trans	-37.9	87.6	171.2	-60.7	-58.4	0	0	0	113.2
76	T	41.8	Very low	47.2	Very low	123 Å²	123	149.1 Å²	149.1	76%	0.755	79%	0.789	S	S	*	*			trans	-115.9	111.9	163.3	-57.6	0	0	0	0	107.8	T74	T74-T76 PolarHBondContact O-N 3.1Å
77	Y	48.2	Very low	47.8	Very low	208 Å²	208	153.1 Å²	153.1	82%	0.816	80%	0.796	S	S	*	*			trans	-45.2	126	179.4	-79.6	-96.9	0	0	0	111.3	L79	Y77-L79 PolarHBondContact O-N 2.94Å
78	P	51.1	Low	48.3	Very low	123 Å²	123	157.8 Å²	157.8	80%	0.799	80%	0.804	S	S	*	*			trans	-69.4	105.9	179.7	26	-30.8	0	0	0	109.2	K80	P78-K80 PolarHBondContact O-N 2.91Å
79	L	50	Low	49.1	Very low	163 Å²	163	154.8 Å²	154.8	85%	0.853	80%	0.796	S	S	*	*			trans	-56.1	126.3	162.2	-83.9	149.9	0	0	0	107.8	Y77 E81	Y77-L79 PolarHBondContact O-N 2.94Å; L79-E81 PolarHBondContact O-N 2.9Å
80	K	45	Very low	49.5	Very low	201 Å²	201	159.2 Å²	159.2	87%	0.874	80%	0.804	S	S	*	*			trans	-59.2	88.8	-172.2	-65.6	174.9	177.7	176	0	111.7	P78	P78-K80 PolarHBondContact O-N 2.91Å
81	E	50.6	Low	50.1	Low	181 Å²	181	161.3 Å²	161.3	85%	0.846	80%	0.8	S	S	*	*			trans	-88.5	121.1	161.6	-69.3	-167.7	-173.9	0	0	109.4	L79 S83	L79-E81 PolarHBondContact O-N 2.9Å; E81-S83 PolarHBondContact O-N 2.86Å
82	K	48.7	Very low	50.8	Low	197 Å²	197	161.9 Å²	161.9	86%	0.857	80%	0.796	S	S	*	*			trans	-63.5	93.1	-168	-61.7	167	-176.1	176.9	0	109.2	T84	K82-T84 PolarHBondContact O-N 3.26Å
83	S	53.7	Low	51.9	Low	97 Å²	97	158.9 Å²	158.9	68%	0.678	78%	0.776	S	S	*	*			trans	-59.8	107.3	176	68.5	0	0	0	0	109.6	E81 L85	E81-S83 PolarHBondContact O-N 2.86Å; S83-L85 PolarHBondContact O-N 2.9Å
84	T	51.9	Low	52.8	Low	136 Å²	136	156.6 Å²	156.6	83%	0.834	77%	0.766	S	S	*	*			trans	-73.4	13.7	176.3	46.3	0	0	0	0	113.1	K82	K82-T84 PolarHBondContact O-N 3.26Å
85	L	51.6	Low	54	Low	150 Å²	150	160.4 Å²	160.4	79%	0.785	77%	0.767	S	S	*	*			trans	-115.2	49.3	-166.8	-72.9	170.5	0	0	0	114.7	S83	S83-L85 PolarHBondContact O-N 2.9Å
86	K	53.9	Low	55.5	Low	195 Å²	195	159.8 Å²	159.8	85%	0.848	76%	0.756	S	S	*	*			trans	-137.3	24	166.4	-73.7	-161.8	179.5	-180	0	117
87	K	54.9	Low	56.8	Low	208 Å²	208	161.3 Å²	161.3	90%	0.904	75%	0.749	S	S	*	*	S	Bend	trans	-95.7	8.6	174.7	-86.6	-172.2	-179.4	178	0	116.6
88	R	57.9	Low	57.7	Low	223 Å²	223	158.1 Å²	158.1	84%	0.842	74%	0.739	S	S	*	*	S	Bend	trans	-98	-12.4	-176.1	-139	175.1	-165.6	-179.2	4.7	116.6
89	S	59.4	Low	58.6	Low	101 Å²	101	154 Å²	154	71%	0.706	72%	0.718	S	S	*	*	H	α-helix	trans	-69.8	-38.3	-173.6	-176.6	0	0	0	0	114	R91 N92	S89-R91 PolarHBondContact O-N 3.3Å; S89-N92 PolarHBondContact O-N 3.46Å
90	K	57.2	Low	59.6	Low	178 Å²	178	155.5 Å²	155.5	77%	0.774	71%	0.713	S	S	*	*	H	α-helix	trans	-65.4	-33.6	-172.5	-71	-171.1	178.2	-176.4	0	114.4	N92 H93 H94	K90-N92 VanDerWaalsContact C-N 3.32Å; K90-N92 PolarHBondContact O-N 3.3Å; K90-H93 PolarHBondContact O-N 3.21Å; K90-H94 PolarHBondContact O-CD2 3Å
91	R	58.6	Low	60.8	Low	210 Å²	210	151.6 Å²	151.6	79%	0.792	70%	0.699	S	S	*	*	H	α-helix	trans	-66.2	-31.8	-176.7	-69.1	-170.5	-158	179.1	6.1	113.2	S89	S89-R91 PolarHBondContact O-N 3.3Å
92	N	60.2	Low	61.8	Low	99 Å²	99	146 Å²	146	53%	0.529	68%	0.683	S	S	.	*	H	α-helix	trans	-75.1	-28.1	-177.5	-85.6	-16.6	0	0	0	113.4	S89 K90 R95 K96	S89-N92 PolarHBondContact O-N 3.46Å; K90-N92 VanDerWaalsContact C-N 3.32Å; K90-N92 PolarHBondContact O-N 3.3Å; N92-R95 PolarHBondContact O-N 3.05Å; N92-K96 PolarHBondContact O-N 2.83Å
93	H	66.1	Low	62.9	Low	106 Å²	106	144.4 Å²	144.4	49%	0.491	68%	0.677	S	S	.	*	H	α-helix	trans	-67.4	-40.7	-179.7	-167	80.3	0	0	0	111.9	K90 R95 K96 R97	K90-H93 PolarHBondContact O-N 3.21Å; H93-R95 PolarHBondContact O-N 2.8Å; H93-K96 PolarHBondContact O-N 3.49Å; H93-R97 PolarHBondContact NE2-NE 3.33Å; H93-R97 PolarHBondContact O-N 3Å
94	H	64.7	Low	64.1	Low	111 Å²	111	143 Å²	143	51%	0.514	67%	0.667	S	S	.	*	H	α-helix	trans	-63.5	-42.1	177.6	-68.9	-74	0	0	0	112.3	K90 K96 R97 F98	K90-H94 PolarHBondContact O-CD2 3Å; H94-K96 VanDerWaalsContact C-N 3.28Å; H94-K96 PolarHBondContact O-N 3.3Å; H94-R97 PolarHBondContact O-N 3.44Å; H94-R97 VanDerWaalsContact O-N 3.1Å; H94-F98 HydrophobicContact CB-CD2 4.38Å; H94-F98 HydrophobicContact CB-CE2 4.22Å; H94-F98 WeakPolarHBondContact O-CD2 3.36Å; H94-F98 PolarHBondContact O-N 3.33Å
95	R	66.8	Low	65.3	Low	194 Å²	194	144.9 Å²	144.9	73%	0.732	66%	0.659	S	S	*	*	H	α-helix	trans	-60.6	-38.2	179.1	-156.4	173	90.4	-168	7.3	112.1	N92 H93 G99	N92-R95 PolarHBondContact O-N 3.05Å; H93-R95 PolarHBondContact O-N 2.8Å; R95-G99 PolarHBondContact O-N 2.91Å
96	K	72.3	Confident	66.8	Low	151 Å²	151	144.9 Å²	144.9	66%	0.657	65%	0.653	S	S	*	*	H	α-helix	trans	-66.8	-38.7	175.4	-72.2	-174	177.5	-177.2	0	112.4	N92 H93 H94 R100	N92-K96 PolarHBondContact O-N 2.83Å; H93-K96 PolarHBondContact O-N 3.49Å; H94-K96 VanDerWaalsContact C-N 3.28Å; H94-K96 PolarHBondContact O-N 3.3Å; K96-R100 WeakPolarHBondContact O-CG 3.33Å; K96-R100 PolarHBondContact O-N 3.02Å
97	R	69.2	Low	68.2	Low	156 Å²	156	142 Å²	142	59%	0.589	64%	0.641	S	S	*	*	H	α-helix	trans	-66	-50.3	176.9	-74.6	-174.7	172.5	-146.9	-3.9	112	H93 H94 G99 R100 M101	H93-R97 PolarHBondContact NE2-NE 3.33Å; H93-R97 PolarHBondContact O-N 3Å; H94-R97 PolarHBondContact O-N 3.44Å; H94-R97 VanDerWaalsContact O-N 3.1Å; R97-G99 VanDerWaalsContact C-N 3.33Å; R97-G99 PolarHBondContact O-N 3.49Å; R97-R100 PolarHBondContact O-N 2.92Å; R97-M101 PolarHBondContact O-N 3.25Å
98	F	67.3	Low	69.7	Low	141 Å²	141	137.1 Å²	137.1	62%	0.618	62%	0.622	S	S	*	*	H	α-helix	trans	-64.1	-36.5	179.1	-70.6	-64.7	0	0	0	112.7	H94 R100 M101 A102	H94-F98 HydrophobicContact CB-CD2 4.38Å; H94-F98 HydrophobicContact CB-CE2 4.22Å; H94-F98 WeakPolarHBondContact O-CD2 3.36Å; H94-F98 PolarHBondContact O-N 3.33Å; F98-R100 VanDerWaalsContact C-N 3.32Å; F98-R100 PolarHBondContact O-N 3.02Å; F98-M101 PolarHBondContact O-N 3.07Å; F98-A102 WeakPolarHBondContact O-CB 3.48Å; F98-A102 PolarHBondContact O-N 3.44Å
99	G	70.5	Confident	71.2	Confident	35 Å²	35	132.6 Å²	132.6	36%	0.361	61%	0.608	S	S	.	*	H	α-helix	trans	-62.2	-36	175.2	0	0	0	0	0	113.7	R95 R97 K103	R95-G99 PolarHBondContact O-N 2.91Å; R97-G99 VanDerWaalsContact C-N 3.33Å; R97-G99 PolarHBondContact O-N 3.49Å; G99-K103 WeakPolarHBondContact O-CG 3.43Å; G99-K103 PolarHBondContact O-N 2.9Å
100	R	71.4	Confident	72.5	Confident	196 Å²	196	132.7 Å²	132.7	74%	0.74	60%	0.6	S	S	*	*	H	α-helix	trans	-68.8	-41.6	174.5	-69.4	-179.1	-172.8	-148.1	1.4	111.5	K96 R97 F98 K103 S104	K96-R100 WeakPolarHBondContact O-CG 3.33Å; K96-R100 PolarHBondContact O-N 3.02Å; R97-R100 PolarHBondContact O-N 2.92Å; F98-R100 VanDerWaalsContact C-N 3.32Å; F98-R100 PolarHBondContact O-N 3.02Å; R100-K103 PolarHBondContact O-N 3.16Å; R100-S104 PolarHBondContact O-N 3.05Å
101	M	69.8	Low	73.7	Confident	118 Å²	118	130.9 Å²	130.9	58%	0.581	59%	0.589	S	S	*	*	H	α-helix	trans	-65.8	-38.9	176.6	-69	174.5	170.3	0	0	112.6	R97 F98 K103 S104 W105	R97-M101 PolarHBondContact O-N 3.25Å; F98-M101 PolarHBondContact O-N 3.07Å; M101-K103 VanDerWaalsContact C-N 3.31Å; M101-K103 PolarHBondContact O-N 3.37Å; M101-S104 WeakPolarHBondContact CA-OG 3.38Å; M101-S104 PolarHBondContact O-N 3.35Å; M101-S104 PolarHBondContact O-OG 2.93Å; M101-W105 PolarHBondContact O-N 3.47Å
102	A	71.2	Confident	75.2	Confident	63 Å²	63	127.3 Å²	127.3	52%	0.521	58%	0.579	S	S	.	*	H	α-helix	trans	-62.8	-39.7	175.9	0	0	0	0	0	111.7	F98 W105 K106	F98-A102 WeakPolarHBondContact O-CB 3.48Å; F98-A102 PolarHBondContact O-N 3.44Å; A102-W105 PolarHBondContact O-N 3.04Å; A102-K106 WeakPolarHBondContact O-CB 3.44Å; A102-K106 PolarHBondContact O-N 3.26Å
103	K	72	Confident	76.6	Confident	164 Å²	164	127 Å²	127	71%	0.713	58%	0.577	S	S	*	*	H	α-helix	trans	-64.6	-43.3	173.8	-72.9	-176.2	179.9	-170.4	0	112	G99 R100 M101 W105 K106 F107	G99-K103 WeakPolarHBondContact O-CG 3.43Å; G99-K103 PolarHBondContact O-N 2.9Å; R100-K103 PolarHBondContact O-N 3.16Å; M101-K103 VanDerWaalsContact C-N 3.31Å; M101-K103 PolarHBondContact O-N 3.37Å; K103-W105 VanDerWaalsContact C-N 3.34Å; K103-W105 PolarHBondContact O-N 3.37Å; K103-K106 PolarHBondContact O-N 3.49Å; K103-F107 WeakPolarHBondContact O-CB 3.34Å; K103-F107 PolarHBondContact O-N 3.05Å
104	S	78.4	Confident	77.7	Confident	69 Å²	69	129.7 Å²	129.7	48%	0.483	58%	0.583	S	S	.	*	H	α-helix	trans	-66.3	-36.7	178.2	67.6	0	0	0	0	112.1	R100 M101 F107 M108	R100-S104 PolarHBondContact O-N 3.05Å; M101-S104 WeakPolarHBondContact CA-OG 3.38Å; M101-S104 PolarHBondContact O-N 3.35Å; M101-S104 PolarHBondContact O-OG 2.93Å; S104-F107 PolarHBondContact O-N 3.49Å; S104-M108 VanDerWaalsContact O-CB 3.31Å; S104-M108 WeakPolarHBondContact O-CB 3.48Å; S104-M108 PolarHBondContact O-N 3.46Å
105	W	77.8	Confident	78.7	Confident	175 Å²	175	128.5 Å²	128.5	66%	0.663	58%	0.578	S	S	*	*	H	α-helix	trans	-65.4	-45.7	174.4	-166.8	-60.9	0	0	0	111.7	M101 A102 K103 F107 M108 K109	M101-W105 PolarHBondContact O-N 3.47Å; A102-W105 PolarHBondContact O-N 3.04Å; K103-W105 VanDerWaalsContact C-N 3.34Å; K103-W105 PolarHBondContact O-N 3.37Å; W105-F107 VanDerWaalsContact C-N 3.32Å; W105-F107 PolarHBondContact O-N 3.21Å; W105-M108 PolarHBondContact O-N 3.44Å; W105-K109 PolarHBondContact O-N 3Å
106	K	83.1	Confident	79.5	Confident	149 Å²	149	125.3 Å²	125.3	65%	0.648	57%	0.565	S	S	*	*	H	α-helix	trans	-60.4	-43.9	175.9	-169	178.8	-176.7	-178.8	0	111	A102 K103 M108 K109 L110	A102-K106 WeakPolarHBondContact O-CB 3.44Å; A102-K106 PolarHBondContact O-N 3.26Å; K103-K106 PolarHBondContact O-N 3.49Å; K106-M108 VanDerWaalsContact C-N 3.35Å; K106-M108 PolarHBondContact O-N 2.89Å; K106-K109 PolarHBondContact O-N 3.36Å; K106-L110 HydrophobicContact CG-CD1 4.45Å; K106-L110 WeakPolarHBondContact O-CG 3.39Å; K106-L110 PolarHBondContact O-N 2.92Å
107	F	83.3	Confident	80.1	Confident	136 Å²	136	121.6 Å²	121.6	60%	0.596	55%	0.553	S	S	*	*	H	α-helix	trans	-60.1	-44.2	174.5	-177.6	-98.5	0	0	0	111.7	K103 S104 W105 K109 L110 R111	K103-F107 WeakPolarHBondContact O-CB 3.34Å; K103-F107 PolarHBondContact O-N 3.05Å; S104-F107 PolarHBondContact O-N 3.49Å; W105-F107 VanDerWaalsContact C-N 3.32Å; W105-F107 PolarHBondContact O-N 3.21Å; F107-K109 PolarHBondContact O-N 2.85Å; F107-L110 PolarHBondContact O-N 3.48Å; F107-R111 WeakPolarHBondContact O-CB 3.48Å; F107-R111 PolarHBondContact O-N 2.9Å
108	M	86.3	Confident	80.5	Confident	105 Å²	105	116.7 Å²	116.7	52%	0.517	54%	0.537	S	S	.	.	H	α-helix	trans	-65.2	-36.8	178.8	-172.7	149.5	62.7	0	0	112.6	S104 W105 K106 K112	S104-M108 VanDerWaalsContact O-CB 3.31Å; S104-M108 WeakPolarHBondContact O-CB 3.48Å; S104-M108 PolarHBondContact O-N 3.46Å; W105-M108 PolarHBondContact O-N 3.44Å; K106-M108 VanDerWaalsContact C-N 3.35Å; K106-M108 PolarHBondContact O-N 2.89Å; M108-K112 WeakPolarHBondContact O-CG 3.22Å; M108-K112 PolarHBondContact O-N 3.23Å
109	K	88.9	Confident	81	Confident	127 Å²	127	112.7 Å²	112.7	55%	0.552	53%	0.53	S	S	*	.	H	α-helix	trans	-65.4	-46.4	172.9	-76.1	-72	-168	174.2	0	112	W105 K106 F107 R111 K112 L113	W105-K109 PolarHBondContact O-N 3Å; K106-K109 PolarHBondContact O-N 3.36Å; F107-K109 PolarHBondContact O-N 2.85Å; K109-R111 VanDerWaalsContact C-N 3.33Å; K109-R111 PolarHBondContact O-N 3.25Å; K109-K112 PolarHBondContact O-N 3.33Å; K109-L113 WeakPolarHBondContact O-CG 3.36Å; K109-L113 PolarHBondContact O-N 3.42Å
110	L	86.5	Confident	81.1	Confident	103 Å²	103	115.9 Å²	115.9	54%	0.539	53%	0.534	S	S	.	.	H	α-helix	trans	-61.7	-41.8	176.3	-72.9	171.1	0	0	0	111.6	K106 F107 L113 W114	K106-L110 HydrophobicContact CG-CD1 4.45Å; K106-L110 WeakPolarHBondContact O-CG 3.39Å; K106-L110 PolarHBondContact O-N 2.92Å; F107-L110 PolarHBondContact O-N 3.48Å; L110-L113 PolarHBondContact O-N 3.43Å; L110-W114 WeakPolarHBondContact O-CB 3.43Å; L110-W114 PolarHBondContact O-N 2.77Å
111	R	84.3	Confident	80.9	Confident	140 Å²	140	112.1 Å²	112.1	53%	0.528	53%	0.525	S	S	.	.	H	α-helix	trans	-60.1	-46.8	175.3	-177.4	176.6	179.3	137	1.2	112.1	F107 K109 L113 W114 E115	F107-R111 WeakPolarHBondContact O-CB 3.48Å; F107-R111 PolarHBondContact O-N 2.9Å; K109-R111 VanDerWaalsContact C-N 3.33Å; K109-R111 PolarHBondContact O-N 3.25Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-L113 PolarHBondContact O-N 3.29Å; R111-W114 PolarHBondContact O-N 3.18Å; R111-E115 HydrophobicContact CG-CG 4.45Å; R111-E115 WeakPolarHBondContact CG-OE1 3.31Å; R111-E115 IonicContact CZ-OE1 2.89Å; R111-E115 IonicContact NE-OE1 3.68Å; R111-E115 PolarHBondContact NE-OE1 3.34Å; R111-E115 IonicContact NH2-OE1 2.9Å; R111-E115 WeakPolarHBondContact O-CB 3.29Å; R111-E115 WeakPolarHBondContact O-CG 3.47Å; R111-E115 PolarHBondContact O-N 3.2Å
112	K	88.8	Confident	80.5	Confident	135 Å²	135	115.7 Å²	115.7	59%	0.587	53%	0.532	S	S	*	.	H	α-helix	trans	-63.3	-38.4	176.9	-76.1	-173.3	175.2	-168.8	0	112.7	M108 K109 R116	M108-K112 WeakPolarHBondContact O-CG 3.22Å; M108-K112 PolarHBondContact O-N 3.23Å; K109-K112 PolarHBondContact O-N 3.33Å; K112-R116 WeakPolarHBondContact O-CB 3.49Å; K112-R116 PolarHBondContact O-N 3.25Å
113	L	90.1	Very high	79.9	Confident	94 Å²	94	116.6 Å²	116.6	49%	0.492	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-45.5	174.3	-77.7	165.1	0	0	0	111.1	K109 L110 R111 R116 D117	K109-L113 WeakPolarHBondContact O-CG 3.36Å; K109-L113 PolarHBondContact O-N 3.42Å; L110-L113 PolarHBondContact O-N 3.43Å; R111-L113 VanDerWaalsContact C-N 3.34Å; R111-L113 PolarHBondContact O-N 3.29Å; L113-R116 PolarHBondContact O-N 3.49Å; L113-D117 PolarHBondContact O-N 3.43Å
114	W	89.2	Confident	79.2	Confident	162 Å²	162	115.6 Å²	115.6	61%	0.614	54%	0.535	S	S	*	.	H	α-helix	trans	-62.4	-46.7	177.2	-178.5	81.2	0	0	0	112.4	L110 R111 R116 D117 M118	L110-W114 WeakPolarHBondContact O-CB 3.43Å; L110-W114 PolarHBondContact O-N 2.77Å; R111-W114 PolarHBondContact O-N 3.18Å; W114-R116 VanDerWaalsContact C-N 3.28Å; W114-R116 PolarHBondContact O-N 2.93Å; W114-D117 PolarHBondContact O-N 3.31Å; W114-M118 HydrophobicContact CD2-CG 4.03Å; W114-M118 HydrophobicContact CE3-CG 4.39Å; W114-M118 HydrophobicContact CH2-CG 4.17Å; W114-M118 HydrophobicContact CZ2-CG 3.78Å; W114-M118 HydrophobicContact CZ2-SD 4.11Å; W114-M118 HydrophobicContact CZ3-CG 4.46Å; W114-M118 WeakPolarHBondContact O-CB 3.34Å; W114-M118 VanDerWaalsContact O-CG 3.32Å; W114-M118 WeakPolarHBondContact O-CG 3.43Å; W114-M118 PolarHBondContact O-N 3.39Å
115	E	86	Confident	78.1	Confident	85 Å²	85	116.3 Å²	116.3	40%	0.397	54%	0.541	S	S	.	.	H	α-helix	trans	-58.9	-39.8	175.9	-74.7	170.4	-177	0	0	111.6	R111 A119	R111-E115 HydrophobicContact CG-CG 4.45Å; R111-E115 WeakPolarHBondContact CG-OE1 3.31Å; R111-E115 IonicContact CZ-OE1 2.89Å; R111-E115 IonicContact NE-OE1 3.68Å; R111-E115 PolarHBondContact NE-OE1 3.34Å; R111-E115 IonicContact NH2-OE1 2.9Å; R111-E115 WeakPolarHBondContact O-CB 3.29Å; R111-E115 WeakPolarHBondContact O-CG 3.47Å; R111-E115 PolarHBondContact O-N 3.2Å; E115-A119 WeakPolarHBondContact O-CB 3.19Å; E115-A119 PolarHBondContact O-N 3.18Å
116	R	83.4	Confident	77	Confident	127 Å²	127	111 Å²	111	48%	0.479	53%	0.534	S	S	.	.	H	α-helix	trans	-67	-43.1	176.5	-171.4	-161.6	68.6	137.6	4.3	112.3	K112 L113 W114 A119 K120	K112-R116 WeakPolarHBondContact O-CB 3.49Å; K112-R116 PolarHBondContact O-N 3.25Å; L113-R116 PolarHBondContact O-N 3.49Å; W114-R116 VanDerWaalsContact C-N 3.28Å; W114-R116 PolarHBondContact O-N 2.93Å; R116-A119 PolarHBondContact O-N 2.88Å; R116-K120 PolarHBondContact O-N 3.22Å; R116-K120 VanDerWaalsContact O-N 3.1Å
117	D	84.2	Confident	75.6	Confident	73 Å²	73	109.2 Å²	109.2	39%	0.39	54%	0.537	S	S	.	.	H	α-helix	trans	-68.7	-38.9	179.7	-81.3	14.6	0	0	0	111.3	L113 W114 A119 K120 Q121	L113-D117 PolarHBondContact O-N 3.43Å; W114-D117 PolarHBondContact O-N 3.31Å; D117-A119 VanDerWaalsContact C-N 3.35Å; D117-A119 PolarHBondContact O-N 3.1Å; D117-K120 PolarHBondContact O-N 3.31Å; D117-Q121 PolarHBondContact O-N 3.35Å
118	M	78.1	Confident	74.3	Confident	54 Å²	54	112.7 Å²	112.7	27%	0.266	55%	0.553	S	S	.	*	H	α-helix	trans	-62.7	-39.1	171.7	-69.7	-66.7	107.2	0	0	112.4	W114 K120 Q121 R122	W114-M118 HydrophobicContact CD2-CG 4.03Å; W114-M118 HydrophobicContact CE3-CG 4.39Å; W114-M118 HydrophobicContact CH2-CG 4.17Å; W114-M118 HydrophobicContact CZ2-CG 3.78Å; W114-M118 HydrophobicContact CZ2-SD 4.11Å; W114-M118 HydrophobicContact CZ3-CG 4.46Å; W114-M118 WeakPolarHBondContact O-CB 3.34Å; W114-M118 VanDerWaalsContact O-CG 3.32Å; W114-M118 WeakPolarHBondContact O-CG 3.43Å; W114-M118 PolarHBondContact O-N 3.39Å; M118-K120 VanDerWaalsContact C-N 3.32Å; M118-K120 PolarHBondContact O-N 2.87Å; M118-Q121 PolarHBondContact O-N 3.24Å; M118-R122 WeakPolarHBondContact O-CG 3.13Å; M118-R122 PolarHBondContact O-N 3.41Å
119	A	76.8	Confident	72.7	Confident	56 Å²	56	113.8 Å²	113.8	46%	0.463	57%	0.565	S	S	.	*	H	α-helix	trans	-62.7	-38.5	175.3	0	0	0	0	0	112.1	E115 R116 D117 R122 S123	E115-A119 WeakPolarHBondContact O-CB 3.19Å; E115-A119 PolarHBondContact O-N 3.18Å; R116-A119 PolarHBondContact O-N 2.88Å; D117-A119 VanDerWaalsContact C-N 3.35Å; D117-A119 PolarHBondContact O-N 3.1Å; A119-R122 PolarHBondContact O-N 3.05Å; A119-S123 PolarHBondContact O-N 3.28Å; A119-S123 VanDerWaalsContact O-N 3.11Å
120	K	73.7	Confident	71.2	Confident	102 Å²	102	112.4 Å²	112.4	44%	0.443	57%	0.571	S	S	.	*	H	α-helix	trans	-65.7	-42.8	174.6	-72.8	-179.4	176.1	-171.1	0	112.4	R116 D117 M118 R122 S123 I124	R116-K120 PolarHBondContact O-N 3.22Å; R116-K120 VanDerWaalsContact O-N 3.1Å; D117-K120 PolarHBondContact O-N 3.31Å; M118-K120 VanDerWaalsContact C-N 3.32Å; M118-K120 PolarHBondContact O-N 2.87Å; K120-R122 VanDerWaalsContact C-N 3.28Å; K120-R122 PolarHBondContact O-N 3.06Å; K120-S123 WeakPolarHBondContact CA-OG 3.45Å; K120-S123 PolarHBondContact O-N 3.43Å; K120-S123 VanDerWaalsContact O-N 3.16Å; K120-S123 PolarHBondContact O-OG 3.49Å; K120-I124 WeakPolarHBondContact O-CG1 3.47Å; K120-I124 PolarHBondContact O-N 3.49Å
121	Q	68	Low	69.7	Low	118 Å²	118	115.1 Å²	115.1	55%	0.551	59%	0.585	S	S	*	*	H	α-helix	trans	-58.7	-42.8	175.6	-71.9	-177.8	1.5	0	0	111.3	D117 M118 S123 I124 S125	D117-Q121 PolarHBondContact O-N 3.35Å; M118-Q121 PolarHBondContact O-N 3.24Å; Q121-S123 VanDerWaalsContact C-N 3.34Å; Q121-S123 PolarHBondContact O-N 3.36Å; Q121-I124 PolarHBondContact O-N 3.02Å; Q121-S125 PolarHBondContact O-N 3.1Å; Q121-S125 PolarHBondContact O-OG 3.4Å
122	R	59.6	Low	68.2	Low	193 Å²	193	117.7 Å²	117.7	73%	0.728	60%	0.6	S	S	*	*	H	α-helix	trans	-61.7	-38.7	175.6	-71.2	177.7	-179.8	169.1	0.1	113.1	M118 A119 K120 S125 A126	M118-R122 WeakPolarHBondContact O-CG 3.13Å; M118-R122 PolarHBondContact O-N 3.41Å; A119-R122 PolarHBondContact O-N 3.05Å; K120-R122 VanDerWaalsContact C-N 3.28Å; K120-R122 PolarHBondContact O-N 3.06Å; R122-S125 WeakPolarHBondContact CA-OG 3.48Å; R122-S125 PolarHBondContact O-N 3.35Å; R122-S125 PolarHBondContact O-OG 3.31Å; R122-A126 PolarHBondContact O-N 3.43Å
123	S	59.8	Low	66.6	Low	82 Å²	82	114.5 Å²	114.5	57%	0.573	60%	0.599	S	S	*	*	H	α-helix	trans	-70.2	-31.3	177.2	57.1	0	0	0	0	113.8	A119 K120 Q121	A119-S123 PolarHBondContact O-N 3.28Å; A119-S123 VanDerWaalsContact O-N 3.11Å; K120-S123 WeakPolarHBondContact CA-OG 3.45Å; K120-S123 PolarHBondContact O-N 3.43Å; K120-S123 VanDerWaalsContact O-N 3.16Å; K120-S123 PolarHBondContact O-OG 3.49Å; Q121-S123 VanDerWaalsContact C-N 3.34Å; Q121-S123 PolarHBondContact O-N 3.36Å
124	I	57.6	Low	64.9	Low	142 Å²	142	116.5 Å²	116.5	73%	0.728	61%	0.61	S	S	*	*	H	α-helix	trans	-74.7	-33.3	176.6	-63.4	165	0	0	0	110.3	K120 Q121 A126	K120-I124 WeakPolarHBondContact O-CG1 3.47Å; K120-I124 PolarHBondContact O-N 3.49Å; Q121-I124 PolarHBondContact O-N 3.02Å; I124-A126 PolarHBondContact O-N 2.77Å
125	S	54.5	Low	63	Low	85 Å²	85	116.1 Å²	116.1	59%	0.594	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	2.3	178.2	65	0	0	0	0	114.8	Q121 R122 P127	Q121-S125 PolarHBondContact O-N 3.1Å; Q121-S125 PolarHBondContact O-OG 3.4Å; R122-S125 WeakPolarHBondContact CA-OG 3.48Å; R122-S125 PolarHBondContact O-N 3.35Å; R122-S125 PolarHBondContact O-OG 3.31Å; S125-P127 WeakPolarHBondContact O-CD 3.16Å
126	A	53.9	Low	61.1	Low	64 Å²	64	124.8 Å²	124.8	53%	0.529	66%	0.656	S	S	.	*	S	Bend	trans	-61	110.1	171.4	0	0	0	0	0	106.9	R122 I124 F128	R122-A126 PolarHBondContact O-N 3.43Å; I124-A126 PolarHBondContact O-N 2.77Å; A126-F128 PolarHBondContact O-N 3.23Å
127	P	53.5	Low	60	Low	110 Å²	110	124.7 Å²	124.7	71%	0.714	67%	0.665	S	S	*	*			trans	-57.6	131.4	-179.1	23.6	-31	0	0	0	106.8	S125 V129	S125-P127 WeakPolarHBondContact O-CD 3.16Å; P127-V129 VanDerWaalsContact C-N 3.29Å; P127-V129 PolarHBondContact O-N 2.95Å
128	F	57.1	Low	58.8	Low	210 Å²	210	127.4 Å²	127.4	92%	0.921	68%	0.68	S	S	*	*			trans	-45.8	101.2	168.2	-98.1	-97.2	0	0	0	107.2	A126 S130	A126-F128 PolarHBondContact O-N 3.23Å; F128-S130 VanDerWaalsContact C-N 3.27Å; F128-S130 PolarHBondContact O-N 3.05Å
129	V	52.7	Low	57.7	Low	127 Å²	127	131.5 Å²	131.5	77%	0.77	70%	0.703	S	S	*	*			trans	-65.8	103.7	166.5	176.8	0	0	0	0	102.7	P127 I131	P127-V129 VanDerWaalsContact C-N 3.29Å; P127-V129 PolarHBondContact O-N 2.95Å; V129-I131 PolarHBondContact O-N 2.85Å
130	S	56.6	Low	56.6	Low	99 Å²	99	135.9 Å²	135.9	69%	0.692	72%	0.717	S	S	*	*			trans	-52.6	111.4	173.7	55.1	0	0	0	0	106.1	F128 K132	F128-S130 VanDerWaalsContact C-N 3.27Å; F128-S130 PolarHBondContact O-N 3.05Å; S130-K132 VanDerWaalsContact C-N 3.26Å; S130-K132 PolarHBondContact O-N 2.77Å
131	I	55.7	Low	55.5	Low	159 Å²	159	138.1 Å²	138.1	82%	0.815	73%	0.734	S	S	*	*			trans	-60.1	102	171	-63.3	169.3	0	0	0	103.9	V129 A133	V129-I131 PolarHBondContact O-N 2.85Å; I131-A133 PolarHBondContact O-N 2.81Å
132	K	53.5	Low	54.6	Low	194 Å²	194	139.4 Å²	139.4	84%	0.843	75%	0.746	S	S	*	*			trans	-65.5	93.6	171.8	-172.2	175.5	-175.4	178.1	0	104.7	S130 N134	S130-K132 VanDerWaalsContact C-N 3.26Å; S130-K132 PolarHBondContact O-N 2.77Å; K132-N134 VanDerWaalsContact C-N 3.27Å; K132-N134 PolarHBondContact O-N 2.96Å
133	A	54.9	Low	54.3	Low	69 Å²	69	135.6 Å²	135.6	57%	0.57	75%	0.747	S	S	*	*			trans	-56.7	100.3	169.4	0	0	0	0	0	105.9	I131 N135	I131-A133 PolarHBondContact O-N 2.81Å; A133-N135 VanDerWaalsContact C-N 3.34Å; A133-N135 PolarHBondContact O-N 3.32Å; A133-N135 VanDerWaalsContact O-N 3.11Å
134	N	53.9	Low	53.9	Low	135 Å²	135	139.7 Å²	139.7	72%	0.722	76%	0.761	S	S	*	*			trans	-69.4	106.4	164	104.4	47.8	0	0	0	103.6	K132	K132-N134 VanDerWaalsContact C-N 3.27Å; K132-N134 PolarHBondContact O-N 2.96Å
135	N	49.1	Very low	53.6	Low	155 Å²	155	139.5 Å²	139.5	83%	0.829	76%	0.763	S	S	*	*			trans	-110.3	94.7	162.4	-70.9	-10.8	0	0	0	103.7	A133	A133-N135 VanDerWaalsContact C-N 3.34Å; A133-N135 PolarHBondContact O-N 3.32Å; A133-N135 VanDerWaalsContact O-N 3.11Å
136	K	47.2	Very low	53.5	Low	267 Å²	267	144.5 Å²	144.5	100%	1.161	78%	0.779	S	S	*	*			trans	-131.9	0	164.9	-143	-172.8	-171.6	-171	0	107

Retrieved 136 of 136 residues in 27.1 ms (Link to these results)

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