A0A5K4F4Q6_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F4Q6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 100 aa.

						>A0A5K4F4Q6_SCHMA|A0A5K4F4Q6
MGYALGTIILICLLNESMKAFETVQKNITKLYKKELSDVNERDKKLKTMFSNIQESKYHNDEFQPKANSTILSRVWQLFNHCFLTFDNLAKIIQNDHALK
					

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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	57.4	Low	77.3	Confident	212 Å²	212	108.6 Å²	108.6	100%	1.044	60%	0.604	S	S	*	*				0	-25.7	0	-74.8	-171	177.5	0	0	114.4	Y3 A4	M1-Y3 PolarHBondContact O-N 3.06Å; M1-A4 PolarHBondContact O-N 3.41Å
2	G	67.3	Low	78	Confident	61 Å²	61	105.3 Å²	105.3	63%	0.629	59%	0.592	S	S	*	*	H	α-helix	trans	-60.5	-36.1	-177.6	0	0	0	0	0	116.3	A4 L5 G6	G2-A4 VanDerWaalsContact C-N 3.34Å; G2-A4 PolarHBondContact O-N 2.96Å; G2-L5 PolarHBondContact O-N 3.09Å; G2-G6 PolarHBondContact O-N 3.32Å
3	Y	71.6	Confident	78.7	Confident	214 Å²	214	104.5 Å²	104.5	84%	0.839	59%	0.585	S	S	*	*	H	α-helix	trans	-62.3	-37.4	179.4	-64.8	-73.1	0	0	0	113.4	M1 G6 T7	M1-Y3 PolarHBondContact O-N 3.06Å; Y3-G6 PolarHBondContact O-N 2.96Å; Y3-T7 PolarHBondContact O-N 3.47Å; Y3-T7 PolarHBondContact O-OG1 3.37Å
4	A	76.4	Confident	79.4	Confident	60 Å²	60	104.3 Å²	104.3	50%	0.496	58%	0.581	S	S	.	*	H	α-helix	trans	-65.7	-42.2	-178.1	0	0	0	0	0	112.1	M1 G2 T7 I8	M1-A4 PolarHBondContact O-N 3.41Å; G2-A4 VanDerWaalsContact C-N 3.34Å; G2-A4 PolarHBondContact O-N 2.96Å; A4-T7 PolarHBondContact O-N 2.99Å; A4-I8 VanDerWaalsContact O-CG1 3.31Å; A4-I8 WeakPolarHBondContact O-CG1 3.22Å; A4-I8 PolarHBondContact O-N 2.99Å; A4-I8 VanDerWaalsContact O-N 3.08Å
5	L	77.3	Confident	80.1	Confident	117 Å²	117	102.9 Å²	102.9	61%	0.613	57%	0.572	S	S	*	*	H	α-helix	trans	-63.7	-42.9	174.8	-93.3	117.9	0	0	0	111.8	G2 T7 I8 I9	G2-L5 PolarHBondContact O-N 3.09Å; L5-T7 VanDerWaalsContact C-N 3.33Å; L5-T7 PolarHBondContact O-N 3.03Å; L5-I8 PolarHBondContact O-N 3.29Å; L5-I9 WeakPolarHBondContact O-CG1 3.11Å; L5-I9 PolarHBondContact O-N 3.02Å
6	G	77.3	Confident	80.6	Confident	40 Å²	40	104.5 Å²	104.5	41%	0.412	57%	0.574	S	S	.	*	H	α-helix	trans	-58.4	-44.4	176.6	0	0	0	0	0	112.4	G2 Y3 I9 L10	G2-G6 PolarHBondContact O-N 3.32Å; Y3-G6 PolarHBondContact O-N 2.96Å; G6-I9 PolarHBondContact O-N 3.5Å; G6-L10 PolarHBondContact O-N 3.13Å
7	T	82.3	Confident	81.1	Confident	80 Å²	80	102.8 Å²	102.8	49%	0.491	57%	0.571	S	S	.	*	H	α-helix	trans	-64.4	-41.1	177.1	-51.2	0	0	0	0	112.3	Y3 A4 L5 L10 I11	Y3-T7 PolarHBondContact O-N 3.47Å; Y3-T7 PolarHBondContact O-OG1 3.37Å; A4-T7 PolarHBondContact O-N 2.99Å; L5-T7 VanDerWaalsContact C-N 3.33Å; L5-T7 PolarHBondContact O-N 3.03Å; T7-L10 PolarHBondContact O-N 3.26Å; T7-I11 HydrophobicContact CG2-CD1 4.04Å; T7-I11 VanDerWaalsContact O-CG1 3.3Å; T7-I11 WeakPolarHBondContact O-CG1 3.41Å; T7-I11 PolarHBondContact O-N 3.36Å
8	I	85.8	Confident	81.6	Confident	105 Å²	105	102.9 Å²	102.9	54%	0.538	57%	0.568	S	S	.	*	H	α-helix	trans	-63.4	-45.2	177.9	-68.6	165.7	0	0	0	110.9	A4 L5 L10 I11 C12	A4-I8 VanDerWaalsContact O-CG1 3.31Å; A4-I8 WeakPolarHBondContact O-CG1 3.22Å; A4-I8 PolarHBondContact O-N 2.99Å; A4-I8 VanDerWaalsContact O-N 3.08Å; L5-I8 PolarHBondContact O-N 3.29Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.21Å; I8-I11 PolarHBondContact O-N 3.36Å; I8-C12 PolarHBondContact O-N 3.41Å; I8-C12 PolarHBondContact O-SG 2.81Å
9	I	85.4	Confident	82.1	Confident	98 Å²	98	103.7 Å²	103.7	50%	0.503	57%	0.565	S	S	.	*	H	α-helix	trans	-60.7	-44.4	177.9	-67.1	166.7	0	0	0	110.5	L5 G6 I11 C12 L13	L5-I9 WeakPolarHBondContact O-CG1 3.11Å; L5-I9 PolarHBondContact O-N 3.02Å; G6-I9 PolarHBondContact O-N 3.5Å; I9-I11 PolarHBondContact O-N 2.75Å; I9-C12 PolarHBondContact O-N 2.67Å; I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CG 3.46Å; I9-L13 PolarHBondContact O-N 3.21Å
10	L	81.9	Confident	82.5	Confident	104 Å²	104	101.4 Å²	101.4	55%	0.545	56%	0.56	S	S	.	*	H	α-helix	trans	-61.5	-43	178.4	-169.5	71.1	0	0	0	111.9	G6 T7 I8 C12 L13 L14	G6-L10 PolarHBondContact O-N 3.13Å; T7-L10 PolarHBondContact O-N 3.26Å; I8-L10 VanDerWaalsContact C-N 3.33Å; I8-L10 PolarHBondContact O-N 3.21Å; L10-C12 VanDerWaalsContact C-N 3.35Å; L10-C12 PolarHBondContact O-N 3.34Å; L10-L13 PolarHBondContact O-N 3.47Å; L10-L14 HydrophobicContact CG-CD1 4.18Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.37Å; L10-L14 PolarHBondContact O-N 2.78Å
11	I	87.4	Confident	82.8	Confident	104 Å²	104	102.6 Å²	102.6	53%	0.533	56%	0.56	S	S	.	*	H	α-helix	trans	-62.2	-42.7	176.5	-69.4	166.8	0	0	0	110.9	T7 I8 I9 L14 N15	T7-I11 HydrophobicContact CG2-CD1 4.04Å; T7-I11 VanDerWaalsContact O-CG1 3.3Å; T7-I11 WeakPolarHBondContact O-CG1 3.41Å; T7-I11 PolarHBondContact O-N 3.36Å; I8-I11 PolarHBondContact O-N 3.36Å; I9-I11 PolarHBondContact O-N 2.75Å; I11-L14 PolarHBondContact O-N 3.1Å; I11-N15 WeakPolarHBondContact O-CB 3.47Å; I11-N15 PolarHBondContact O-N 2.92Å
12	C	85.6	Confident	84.5	Confident	68 Å²	68	96.8 Å²	96.8	46%	0.459	53%	0.531	S	S	.	.	H	α-helix	trans	-61.7	-47.1	176.9	-71.6	0	0	0	0	111.9	I8 I9 L10 L14 N15 E16	I8-C12 PolarHBondContact O-N 3.41Å; I8-C12 PolarHBondContact O-SG 2.81Å; I9-C12 PolarHBondContact O-N 2.67Å; L10-C12 VanDerWaalsContact C-N 3.35Å; L10-C12 PolarHBondContact O-N 3.34Å; C12-L14 PolarHBondContact O-N 2.84Å; C12-N15 PolarHBondContact O-N 3.14Å; C12-E16 PolarHBondContact O-N 3.4Å
13	L	87.3	Confident	85.6	Confident	95 Å²	95	97.6 Å²	97.6	50%	0.497	52%	0.523	S	S	.	.	H	α-helix	trans	-62.4	-41.4	178.2	-71.2	171.9	0	0	0	112.3	I9 L10 E16 S17	I9-L13 HydrophobicContact CG2-CD1 4.04Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CG 3.46Å; I9-L13 PolarHBondContact O-N 3.21Å; L10-L13 PolarHBondContact O-N 3.47Å; L13-E16 PolarHBondContact O-N 3.31Å; L13-S17 WeakPolarHBondContact O-CB 3.49Å; L13-S17 PolarHBondContact O-N 3.28Å; L13-S17 PolarHBondContact O-OG 3.45Å
14	L	88.6	Confident	86.4	Confident	102 Å²	102	91.3 Å²	91.3	53%	0.534	51%	0.507	S	S	.	.	H	α-helix	trans	-63.3	-42	175.2	-74.7	169.8	0	0	0	111.4	L10 I11 C12 S17 M18	L10-L14 HydrophobicContact CG-CD1 4.18Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 VanDerWaalsContact O-CG 3.31Å; L10-L14 WeakPolarHBondContact O-CG 3.37Å; L10-L14 PolarHBondContact O-N 2.78Å; I11-L14 PolarHBondContact O-N 3.1Å; C12-L14 PolarHBondContact O-N 2.84Å; L14-S17 PolarHBondContact O-N 2.95Å; L14-M18 WeakPolarHBondContact O-CB 3.32Å; L14-M18 VanDerWaalsContact O-CG 3.31Å; L14-M18 WeakPolarHBondContact O-CG 3.5Å; L14-M18 PolarHBondContact O-N 2.88Å
15	N	90.2	Very high	87	Confident	84 Å²	84	93.5 Å²	93.5	45%	0.449	51%	0.507	S	S	.	.	H	α-helix	trans	-66.1	-41.7	178.9	-168.7	31	0	0	0	112.2	I11 C12 M18 K19	I11-N15 WeakPolarHBondContact O-CB 3.47Å; I11-N15 PolarHBondContact O-N 2.92Å; C12-N15 PolarHBondContact O-N 3.14Å; N15-M18 PolarHBondContact O-N 2.78Å; N15-K19 WeakPolarHBondContact O-CG 3.29Å; N15-K19 PolarHBondContact O-N 2.86Å
16	E	87.3	Confident	87.5	Confident	128 Å²	128	94 Å²	94	60%	0.598	50%	0.504	S	S	*	.	H	α-helix	trans	-63.2	-42.5	173.8	-73.6	-176.4	173.9	0	0	111.8	C12 L13 M18 K19 A20	C12-E16 PolarHBondContact O-N 3.4Å; L13-E16 PolarHBondContact O-N 3.31Å; E16-M18 VanDerWaalsContact C-N 3.34Å; E16-M18 PolarHBondContact O-N 3.38Å; E16-K19 PolarHBondContact O-N 3.25Å; E16-A20 PolarHBondContact O-N 2.62Å
17	S	88.8	Confident	88.2	Confident	76 Å²	76	96.5 Å²	96.5	53%	0.531	51%	0.508	S	S	.	.	H	α-helix	trans	-61.7	-42	176.1	-57.8	0	0	0	0	111.7	L13 L14 A20 F21	L13-S17 WeakPolarHBondContact O-CB 3.49Å; L13-S17 PolarHBondContact O-N 3.28Å; L13-S17 PolarHBondContact O-OG 3.45Å; L14-S17 PolarHBondContact O-N 2.95Å; S17-A20 PolarHBondContact O-N 3.34Å; S17-F21 WeakPolarHBondContact O-CB 3.47Å; S17-F21 PolarHBondContact O-N 2.89Å
18	M	90.8	Very high	88.5	Confident	104 Å²	104	97.9 Å²	97.9	51%	0.512	51%	0.511	S	S	.	.	H	α-helix	trans	-62.9	-44.1	175.6	-77.5	-61.8	-57.8	0	0	112.1	L14 N15 E16 A20 F21 E22	L14-M18 WeakPolarHBondContact O-CB 3.32Å; L14-M18 VanDerWaalsContact O-CG 3.31Å; L14-M18 WeakPolarHBondContact O-CG 3.5Å; L14-M18 PolarHBondContact O-N 2.88Å; N15-M18 PolarHBondContact O-N 2.78Å; E16-M18 VanDerWaalsContact C-N 3.34Å; E16-M18 PolarHBondContact O-N 3.38Å; M18-A20 VanDerWaalsContact C-N 3.33Å; M18-A20 PolarHBondContact O-N 2.88Å; M18-F21 WeakPolarHBondContact O-CB 3.38Å; M18-F21 PolarHBondContact O-N 3.33Å; M18-E22 WeakPolarHBondContact O-CG 3.27Å; M18-E22 PolarHBondContact O-N 3.43Å
19	K	91.3	Very high	88.6	Confident	119 Å²	119	96 Å²	96	52%	0.517	51%	0.505	S	S	.	.	H	α-helix	trans	-62.6	-39.7	175.9	-72.4	174.4	-178.2	178	0	112.3	N15 E16 T23	N15-K19 WeakPolarHBondContact O-CG 3.29Å; N15-K19 PolarHBondContact O-N 2.86Å; E16-K19 PolarHBondContact O-N 3.25Å; K19-T23 PolarHBondContact O-N 3.39Å; K19-T23 VanDerWaalsContact O-N 3.11Å; K19-T23 PolarHBondContact O-OG1 3.27Å
20	A	89.3	Confident	88.7	Confident	56 Å²	56	98.3 Å²	98.3	46%	0.463	51%	0.511	S	S	.	.	H	α-helix	trans	-63.1	-45.2	174.9	0	0	0	0	0	111	E16 S17 M18 T23 V24	E16-A20 PolarHBondContact O-N 2.62Å; S17-A20 PolarHBondContact O-N 3.34Å; M18-A20 VanDerWaalsContact C-N 3.33Å; M18-A20 PolarHBondContact O-N 2.88Å; A20-T23 WeakPolarHBondContact O-CB 3.3Å; A20-T23 PolarHBondContact O-N 3.08Å; A20-V24 WeakPolarHBondContact O-CG2 3.47Å; A20-V24 PolarHBondContact O-N 3.37Å
21	F	90.3	Very high	88.9	Confident	128 Å²	128	98.2 Å²	98.2	56%	0.561	51%	0.511	S	S	*	.	H	α-helix	trans	-60.1	-47.6	176.6	-178.2	-96.2	0	0	0	112.4	S17 M18 T23 V24 Q25	S17-F21 WeakPolarHBondContact O-CB 3.47Å; S17-F21 PolarHBondContact O-N 2.89Å; M18-F21 WeakPolarHBondContact O-CB 3.38Å; M18-F21 PolarHBondContact O-N 3.33Å; F21-T23 PolarHBondContact O-N 3.23Å; F21-V24 PolarHBondContact O-N 3.34Å; F21-Q25 WeakPolarHBondContact O-CB 3.31Å; F21-Q25 PolarHBondContact O-N 3.36Å
22	E	91.3	Very high	88.7	Confident	90 Å²	90	100.6 Å²	100.6	42%	0.421	51%	0.514	S	S	.	.	H	α-helix	trans	-58.6	-37	176.3	-75.2	-177.2	-173	0	0	112.5	M18 Q25 K26	M18-E22 WeakPolarHBondContact O-CG 3.27Å; M18-E22 PolarHBondContact O-N 3.43Å; E22-Q25 PolarHBondContact O-N 2.9Å; E22-K26 WeakPolarHBondContact O-CB 3.19Å; E22-K26 VanDerWaalsContact O-CG 3.31Å; E22-K26 WeakPolarHBondContact O-CG 3.44Å; E22-K26 PolarHBondContact O-N 3.16Å
23	T	90.8	Very high	88.8	Confident	78 Å²	78	104.4 Å²	104.4	48%	0.479	52%	0.523	S	S	.	.	H	α-helix	trans	-66.6	-45.3	178.2	-58.5	0	0	0	0	111	K19 A20 F21 K26 N27	K19-T23 PolarHBondContact O-N 3.39Å; K19-T23 VanDerWaalsContact O-N 3.11Å; K19-T23 PolarHBondContact O-OG1 3.27Å; A20-T23 WeakPolarHBondContact O-CB 3.3Å; A20-T23 PolarHBondContact O-N 3.08Å; F21-T23 PolarHBondContact O-N 3.23Å; T23-K26 PolarHBondContact O-N 2.84Å; T23-N27 PolarHBondContact O-N 2.84Å; T23-N27 VanDerWaalsContact O-N 3.08Å; T23-N27 PolarHBondContact O-ND2 3.49Å
24	V	89.4	Confident	88.8	Confident	81 Å²	81	106.6 Å²	106.6	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-61.7	-45.6	175.6	172.9	0	0	0	0	110.8	A20 F21 K26 N27 I28	A20-V24 WeakPolarHBondContact O-CG2 3.47Å; A20-V24 PolarHBondContact O-N 3.37Å; F21-V24 PolarHBondContact O-N 3.34Å; V24-K26 VanDerWaalsContact C-N 3.34Å; V24-K26 PolarHBondContact O-N 2.95Å; V24-N27 PolarHBondContact O-N 2.95Å; V24-N27 VanDerWaalsContact O-N 3.12Å; V24-I28 HydrophobicContact CG1-CD1 3.79Å; V24-I28 HydrophobicContact CG1-CG1 4.36Å; V24-I28 WeakPolarHBondContact O-CG1 3.48Å; V24-I28 PolarHBondContact O-N 3.37Å
25	Q	88.5	Confident	88.6	Confident	107 Å²	107	107 Å²	107	50%	0.5	53%	0.527	S	S	.	.	H	α-helix	trans	-61.2	-41.1	179.2	-168.2	-175.1	-6	0	0	112.2	F21 E22 N27 I28 T29	F21-Q25 WeakPolarHBondContact O-CB 3.31Å; F21-Q25 PolarHBondContact O-N 3.36Å; E22-Q25 PolarHBondContact O-N 2.9Å; Q25-N27 VanDerWaalsContact C-N 3.34Å; Q25-N27 PolarHBondContact O-N 3.42Å; Q25-I28 PolarHBondContact O-N 3.46Å; Q25-T29 WeakPolarHBondContact O-CB 3.12Å; Q25-T29 PolarHBondContact O-N 3.13Å; Q25-T29 PolarHBondContact O-OG1 3.14Å
26	K	88.7	Confident	88.3	Confident	128 Å²	128	107 Å²	107	56%	0.557	53%	0.527	S	S	*	.	H	α-helix	trans	-62.9	-39.9	174.6	-76	172	-173.6	168.1	0	111.9	E22 T23 V24 K30	E22-K26 WeakPolarHBondContact O-CB 3.19Å; E22-K26 VanDerWaalsContact O-CG 3.31Å; E22-K26 WeakPolarHBondContact O-CG 3.44Å; E22-K26 PolarHBondContact O-N 3.16Å; T23-K26 PolarHBondContact O-N 2.84Å; V24-K26 VanDerWaalsContact C-N 3.34Å; V24-K26 PolarHBondContact O-N 2.95Å; K26-K30 WeakPolarHBondContact O-CG 3.33Å; K26-K30 PolarHBondContact O-N 3.41Å
27	N	90.7	Very high	88.3	Confident	91 Å²	91	104.3 Å²	104.3	49%	0.487	52%	0.522	S	S	.	.	H	α-helix	trans	-68.5	-44.3	178.6	-71.7	-18.5	0	0	0	112.1	T23 V24 Q25 T29 K30 L31	T23-N27 PolarHBondContact O-N 2.84Å; T23-N27 VanDerWaalsContact O-N 3.08Å; T23-N27 PolarHBondContact O-ND2 3.49Å; V24-N27 PolarHBondContact O-N 2.95Å; V24-N27 VanDerWaalsContact O-N 3.12Å; Q25-N27 VanDerWaalsContact C-N 3.34Å; Q25-N27 PolarHBondContact O-N 3.42Å; N27-T29 VanDerWaalsContact C-N 3.33Å; N27-T29 PolarHBondContact O-N 3.02Å; N27-K30 PolarHBondContact O-N 3.34Å; N27-L31 PolarHBondContact O-N 3.31Å
28	I	88.3	Confident	88.1	Confident	109 Å²	109	104 Å²	104	56%	0.559	51%	0.514	S	S	*	.	H	α-helix	trans	-58.9	-46.2	174.8	-68.6	170.6	0	0	0	110.4	V24 Q25 K30 L31 Y32	V24-I28 HydrophobicContact CG1-CD1 3.79Å; V24-I28 HydrophobicContact CG1-CG1 4.36Å; V24-I28 WeakPolarHBondContact O-CG1 3.48Å; V24-I28 PolarHBondContact O-N 3.37Å; Q25-I28 PolarHBondContact O-N 3.46Å; I28-K30 VanDerWaalsContact C-N 3.3Å; I28-K30 PolarHBondContact O-N 2.85Å; I28-L31 PolarHBondContact O-N 3.35Å; I28-L31 VanDerWaalsContact O-N 3.16Å; I28-Y32 PolarHBondContact O-N 3.05Å
29	T	88	Confident	87.5	Confident	65 Å²	65	103.1 Å²	103.1	40%	0.399	52%	0.515	S	S	.	.	H	α-helix	trans	-60.8	-39.5	178.6	-55.3	0	0	0	0	112	Q25 N27 K33	Q25-T29 WeakPolarHBondContact O-CB 3.12Å; Q25-T29 PolarHBondContact O-N 3.13Å; Q25-T29 PolarHBondContact O-OG1 3.14Å; N27-T29 VanDerWaalsContact C-N 3.33Å; N27-T29 PolarHBondContact O-N 3.02Å; T29-K33 WeakPolarHBondContact O-CG 3.46Å; T29-K33 PolarHBondContact O-N 3.28Å; T29-K33 VanDerWaalsContact O-N 3.12Å
30	K	88.4	Confident	87	Confident	147 Å²	147	101.9 Å²	101.9	64%	0.639	51%	0.514	S	S	*	.	H	α-helix	trans	-65.6	-42.3	175.3	-76.1	176.4	-179	178.9	0	111.8	K26 N27 I28 K33 K34	K26-K30 WeakPolarHBondContact O-CG 3.33Å; K26-K30 PolarHBondContact O-N 3.41Å; N27-K30 PolarHBondContact O-N 3.34Å; I28-K30 VanDerWaalsContact C-N 3.3Å; I28-K30 PolarHBondContact O-N 2.85Å; K30-K33 PolarHBondContact O-N 3.19Å; K30-K34 PolarHBondContact O-N 2.76Å
31	L	86.6	Confident	86.7	Confident	102 Å²	102	103.9 Å²	103.9	53%	0.534	51%	0.514	S	S	.	.	H	α-helix	trans	-63.5	-46.7	179.1	-166	124.7	0	0	0	111	N27 I28 K33 K34 E35	N27-L31 PolarHBondContact O-N 3.31Å; I28-L31 PolarHBondContact O-N 3.35Å; I28-L31 VanDerWaalsContact O-N 3.16Å; L31-K33 PolarHBondContact O-N 2.91Å; L31-K34 WeakPolarHBondContact O-CB 3.25Å; L31-K34 PolarHBondContact O-N 3.17Å; L31-K34 VanDerWaalsContact O-N 3.12Å; L31-E35 HydrophobicContact CD2-CG 4.47Å; L31-E35 PolarHBondContact O-N 2.69Å
32	Y	83.1	Confident	86	Confident	154 Å²	154	106.1 Å²	106.1	60%	0.604	52%	0.518	S	S	*	.	H	α-helix	trans	-59.3	-44.4	176.5	-172.5	-94.9	0	0	0	112.5	I28 K34 E35 L36	I28-Y32 PolarHBondContact O-N 3.05Å; Y32-K34 VanDerWaalsContact C-N 3.3Å; Y32-K34 PolarHBondContact O-N 2.92Å; Y32-E35 PolarHBondContact O-N 3.49Å; Y32-L36 HydrophobicContact CE1-CD2 4.5Å; Y32-L36 WeakPolarHBondContact O-CB 3.42Å; Y32-L36 PolarHBondContact O-N 2.84Å
33	K	87.1	Confident	85.2	Confident	148 Å²	148	105.1 Å²	105.1	64%	0.643	52%	0.516	S	S	*	.	H	α-helix	trans	-62.1	-37.9	176	-75.9	-178.8	178.9	-174.7	0	112.4	T29 K30 L31 S37	T29-K33 WeakPolarHBondContact O-CG 3.46Å; T29-K33 PolarHBondContact O-N 3.28Å; T29-K33 VanDerWaalsContact O-N 3.12Å; K30-K33 PolarHBondContact O-N 3.19Å; L31-K33 PolarHBondContact O-N 2.91Å; K33-S37 WeakPolarHBondContact O-CB 3.24Å; K33-S37 PolarHBondContact O-N 2.98Å; K33-S37 VanDerWaalsContact O-N 3.08Å
34	K	88	Confident	84.6	Confident	141 Å²	141	108.5 Å²	108.5	61%	0.613	52%	0.524	S	S	*	.	H	α-helix	trans	-66.7	-50.5	176.8	-176	-176.9	174.8	-174.9	0	111.1	K30 L31 Y32 L36 S37 D38	K30-K34 PolarHBondContact O-N 2.76Å; L31-K34 WeakPolarHBondContact O-CB 3.25Å; L31-K34 PolarHBondContact O-N 3.17Å; L31-K34 VanDerWaalsContact O-N 3.12Å; Y32-K34 VanDerWaalsContact C-N 3.3Å; Y32-K34 PolarHBondContact O-N 2.92Å; K34-L36 VanDerWaalsContact C-N 3.29Å; K34-L36 PolarHBondContact O-N 3.46Å; K34-S37 WeakPolarHBondContact O-CB 3.21Å; K34-S37 PolarHBondContact O-N 2.87Å; K34-S37 VanDerWaalsContact O-N 3.1Å; K34-D38 PolarHBondContact O-N 2.83Å
35	E	83.8	Confident	83.9	Confident	110 Å²	110	110.1 Å²	110.1	51%	0.514	52%	0.524	S	S	.	.	H	α-helix	trans	-59.8	-41.1	178.7	-71.6	-176.3	161.7	0	0	111.8	L31 Y32 S37 D38 V39	L31-E35 HydrophobicContact CD2-CG 4.47Å; L31-E35 PolarHBondContact O-N 2.69Å; Y32-E35 PolarHBondContact O-N 3.49Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 3.4Å; E35-D38 PolarHBondContact O-N 3.17Å; E35-V39 VanDerWaalsContact O-CG2 3.31Å; E35-V39 WeakPolarHBondContact O-CG2 3.22Å; E35-V39 PolarHBondContact O-N 3.08Å
36	L	83.1	Confident	83.1	Confident	85 Å²	85	109.2 Å²	109.2	45%	0.445	52%	0.523	S	S	.	.	H	α-helix	trans	-63.2	-39.6	175.7	-172.2	65	0	0	0	112.2	Y32 K34 N40	Y32-L36 HydrophobicContact CE1-CD2 4.5Å; Y32-L36 WeakPolarHBondContact O-CB 3.42Å; Y32-L36 PolarHBondContact O-N 2.84Å; K34-L36 VanDerWaalsContact C-N 3.29Å; K34-L36 PolarHBondContact O-N 3.46Å; L36-N40 WeakPolarHBondContact O-CB 3.22Å; L36-N40 VanDerWaalsContact O-CG 3.28Å; L36-N40 PolarHBondContact O-N 3.43Å; L36-N40 PolarHBondContact O-ND2 3.23Å
37	S	87.3	Confident	82.3	Confident	71 Å²	71	109 Å²	109	50%	0.497	52%	0.522	S	S	.	.	H	α-helix	trans	-63.9	-44.1	174.5	-173.1	0	0	0	0	111.7	K33 K34 E35 V39 N40 E41	K33-S37 WeakPolarHBondContact O-CB 3.24Å; K33-S37 PolarHBondContact O-N 2.98Å; K33-S37 VanDerWaalsContact O-N 3.08Å; K34-S37 WeakPolarHBondContact O-CB 3.21Å; K34-S37 PolarHBondContact O-N 2.87Å; K34-S37 VanDerWaalsContact O-N 3.1Å; E35-S37 VanDerWaalsContact C-N 3.34Å; E35-S37 PolarHBondContact O-N 3.4Å; S37-V39 VanDerWaalsContact C-N 3.34Å; S37-V39 PolarHBondContact O-N 3.23Å; S37-N40 PolarHBondContact O-N 3.22Å; S37-E41 PolarHBondContact O-N 2.89Å
38	D	84.8	Confident	81.4	Confident	69 Å²	69	108 Å²	108	37%	0.369	52%	0.519	S	S	.	.	H	α-helix	trans	-64.5	-39.6	179.2	-69.2	-12.2	0	0	0	111.2	K34 E35 E41 R42	K34-D38 PolarHBondContact O-N 2.83Å; E35-D38 PolarHBondContact O-N 3.17Å; D38-E41 PolarHBondContact O-N 3.33Å; D38-R42 WeakPolarHBondContact O-CG 3.45Å; D38-R42 PolarHBondContact O-N 3.13Å
39	V	79.7	Confident	80.3	Confident	86 Å²	86	108.6 Å²	108.6	52%	0.521	52%	0.521	S	S	.	.	H	α-helix	trans	-63.9	-45.7	174	170.4	0	0	0	0	111	E35 S37 E41 R42 D43	E35-V39 VanDerWaalsContact O-CG2 3.31Å; E35-V39 WeakPolarHBondContact O-CG2 3.22Å; E35-V39 PolarHBondContact O-N 3.08Å; S37-V39 VanDerWaalsContact C-N 3.34Å; S37-V39 PolarHBondContact O-N 3.23Å; V39-E41 VanDerWaalsContact C-N 3.31Å; V39-E41 PolarHBondContact O-N 2.89Å; V39-R42 PolarHBondContact O-N 2.89Å; V39-D43 PolarHBondContact O-N 3.37Å
40	N	80.1	Confident	79.1	Confident	94 Å²	94	109.8 Å²	109.8	50%	0.503	52%	0.521	S	S	.	.	H	α-helix	trans	-62.9	-37	177.9	-76.3	-20.1	0	0	0	112.3	L36 S37 K44	L36-N40 WeakPolarHBondContact O-CB 3.22Å; L36-N40 VanDerWaalsContact O-CG 3.28Å; L36-N40 PolarHBondContact O-N 3.43Å; L36-N40 PolarHBondContact O-ND2 3.23Å; S37-N40 PolarHBondContact O-N 3.22Å; N40-K44 WeakPolarHBondContact O-CB 3.35Å; N40-K44 PolarHBondContact O-N 2.7Å
41	E	82.2	Confident	77.9	Confident	97 Å²	97	105.5 Å²	105.5	45%	0.453	51%	0.51	S	S	.	.	H	α-helix	trans	-67.5	-39.7	175.7	-163.3	-170.5	149	0	0	111.7	S37 D38 V39 K44 K45	S37-E41 PolarHBondContact O-N 2.89Å; D38-E41 PolarHBondContact O-N 3.33Å; V39-E41 VanDerWaalsContact C-N 3.31Å; V39-E41 PolarHBondContact O-N 2.89Å; E41-K44 PolarHBondContact O-N 2.9Å; E41-K45 WeakPolarHBondContact O-CG 3.23Å; E41-K45 PolarHBondContact O-N 3.09Å; E41-K45 VanDerWaalsContact OE1-CE 3.24Å; E41-K45 WeakPolarHBondContact OE1-CE 3.44Å; E41-K45 IonicContact OE1-NZ 2.71Å; E41-K45 PolarHBondContact OE1-NZ 3.34Å
42	R	75.1	Confident	76.7	Confident	175 Å²	175	105 Å²	105	66%	0.66	51%	0.508	S	S	*	.	H	α-helix	trans	-63.8	-45.6	174.6	-72.6	175.9	-174.4	-174	3.4	111.6	D38 V39 K44 K45 L46	D38-R42 WeakPolarHBondContact O-CG 3.45Å; D38-R42 PolarHBondContact O-N 3.13Å; V39-R42 PolarHBondContact O-N 2.89Å; R42-K44 VanDerWaalsContact C-N 3.32Å; R42-K44 PolarHBondContact O-N 2.95Å; R42-K45 PolarHBondContact O-N 3Å; R42-L46 WeakPolarHBondContact O-CB 3.25Å; R42-L46 PolarHBondContact O-N 3.4Å
43	D	75.8	Confident	75.6	Confident	69 Å²	69	101.7 Å²	101.7	37%	0.369	50%	0.499	S	S	.	.	H	α-helix	trans	-57.9	-44.9	175.8	179.3	61.7	0	0	0	111.3	V39 K45 L46 K47	V39-D43 PolarHBondContact O-N 3.37Å; D43-K45 PolarHBondContact O-N 3.38Å; D43-L46 WeakPolarHBondContact O-CB 3.47Å; D43-L46 PolarHBondContact O-N 2.92Å; D43-K47 WeakPolarHBondContact O-CG 3.04Å; D43-K47 PolarHBondContact O-N 3.44Å; D43-K47 IonicContact OD1-NZ 3.74Å; D43-K47 VanDerWaalsContact OD2-CE 3.29Å; D43-K47 WeakPolarHBondContact OD2-CE 3.31Å; D43-K47 IonicContact OD2-NZ 2.7Å; D43-K47 PolarHBondContact OD2-NZ 3.24Å
44	K	77.6	Confident	74.1	Confident	150 Å²	150	99.7 Å²	99.7	65%	0.652	49%	0.492	S	S	*	.	H	α-helix	trans	-61.5	-45.6	176.1	-171.8	176.1	-179.8	-178.8	0	112.2	N40 E41 R42 L46 K47 T48	N40-K44 WeakPolarHBondContact O-CB 3.35Å; N40-K44 PolarHBondContact O-N 2.7Å; E41-K44 PolarHBondContact O-N 2.9Å; R42-K44 VanDerWaalsContact C-N 3.32Å; R42-K44 PolarHBondContact O-N 2.95Å; K44-L46 VanDerWaalsContact C-N 3.34Å; K44-L46 PolarHBondContact O-N 3.37Å; K44-K47 PolarHBondContact O-N 3.32Å; K44-T48 PolarHBondContact O-N 2.98Å; K44-T48 PolarHBondContact O-OG1 3.48Å; K44-T48 VanDerWaalsContact O-OG1 3.09Å
45	K	75.3	Confident	72.6	Confident	114 Å²	114	99.3 Å²	99.3	50%	0.496	49%	0.493	S	S	.	.	H	α-helix	trans	-60.6	-43.5	176.6	-77.8	176.5	-175.3	163.6	0	111.8	E41 R42 D43 T48 M49	E41-K45 WeakPolarHBondContact O-CG 3.23Å; E41-K45 PolarHBondContact O-N 3.09Å; E41-K45 VanDerWaalsContact OE1-CE 3.24Å; E41-K45 WeakPolarHBondContact OE1-CE 3.44Å; E41-K45 IonicContact OE1-NZ 2.71Å; E41-K45 PolarHBondContact OE1-NZ 3.34Å; R42-K45 PolarHBondContact O-N 3Å; D43-K45 PolarHBondContact O-N 3.38Å; K45-T48 PolarHBondContact O-N 3.41Å; K45-M49 WeakPolarHBondContact O-CG 3.44Å; K45-M49 PolarHBondContact O-N 3.44Å
46	L	71.1	Confident	71.2	Confident	89 Å²	89	97.4 Å²	97.4	47%	0.466	49%	0.491	S	S	.	.	H	α-helix	trans	-58.8	-51.8	174.9	-91.3	146.9	0	0	0	111	R42 D43 K44 T48 M49 F50	R42-L46 WeakPolarHBondContact O-CB 3.25Å; R42-L46 PolarHBondContact O-N 3.4Å; D43-L46 WeakPolarHBondContact O-CB 3.47Å; D43-L46 PolarHBondContact O-N 2.92Å; K44-L46 VanDerWaalsContact C-N 3.34Å; K44-L46 PolarHBondContact O-N 3.37Å; L46-T48 VanDerWaalsContact C-N 3.32Å; L46-T48 PolarHBondContact O-N 3.42Å; L46-M49 WeakPolarHBondContact O-CB 3.28Å; L46-M49 PolarHBondContact O-N 3.01Å; L46-M49 VanDerWaalsContact O-N 3.13Å; L46-F50 HydrophobicContact CB-CD2 4.43Å; L46-F50 HydrophobicContact CB-CE2 4.17Å; L46-F50 HydrophobicContact CD2-CE2 3.65Å; L46-F50 HydrophobicContact CD2-CZ 4.13Å; L46-F50 WeakPolarHBondContact O-CD2 3.44Å; L46-F50 PolarHBondContact O-N 3.28Å
47	K	72.1	Confident	69.7	Low	122 Å²	122	97.9 Å²	97.9	53%	0.53	49%	0.49	S	S	.	.	H	α-helix	trans	-55.3	-45.7	176.7	-77.3	173	177.2	160.8	0	112.2	D43 K44 F50 S51	D43-K47 WeakPolarHBondContact O-CG 3.04Å; D43-K47 PolarHBondContact O-N 3.44Å; D43-K47 IonicContact OD1-NZ 3.74Å; D43-K47 VanDerWaalsContact OD2-CE 3.29Å; D43-K47 WeakPolarHBondContact OD2-CE 3.31Å; D43-K47 IonicContact OD2-NZ 2.7Å; D43-K47 PolarHBondContact OD2-NZ 3.24Å; K44-K47 PolarHBondContact O-N 3.32Å; K47-F50 PolarHBondContact O-N 3Å; K47-S51 PolarHBondContact O-N 3.49Å; K47-S51 PolarHBondContact O-OG 2.91Å
48	T	72.2	Confident	67.8	Low	70 Å²	70	103 Å²	103	43%	0.429	50%	0.499	S	S	.	.	H	α-helix	trans	-63.4	-42.5	176.8	-58.1	0	0	0	0	112.3	K44 K45 L46 F50 S51 N52	K44-T48 PolarHBondContact O-N 2.98Å; K44-T48 PolarHBondContact O-OG1 3.48Å; K44-T48 VanDerWaalsContact O-OG1 3.09Å; K45-T48 PolarHBondContact O-N 3.41Å; L46-T48 VanDerWaalsContact C-N 3.32Å; L46-T48 PolarHBondContact O-N 3.42Å; T48-F50 VanDerWaalsContact C-N 3.3Å; T48-F50 PolarHBondContact O-N 3.21Å; T48-S51 PolarHBondContact O-N 3.49Å; T48-N52 PolarHBondContact O-N 2.71Å; T48-N52 PolarHBondContact O-OD1 2.94Å
49	M	65.6	Low	66.2	Low	122 Å²	122	106.3 Å²	106.3	60%	0.601	51%	0.512	S	S	*	.	H	α-helix	trans	-59.9	-42.2	173.9	-74.4	-178.5	178.2	0	0	111.5	K45 L46 N52 I53	K45-M49 WeakPolarHBondContact O-CG 3.44Å; K45-M49 PolarHBondContact O-N 3.44Å; L46-M49 WeakPolarHBondContact O-CB 3.28Å; L46-M49 PolarHBondContact O-N 3.01Å; L46-M49 VanDerWaalsContact O-N 3.13Å; M49-N52 PolarHBondContact O-N 3.08Å; M49-I53 WeakPolarHBondContact O-CD1 3.48Å; M49-I53 VanDerWaalsContact O-CG1 3.24Å; M49-I53 WeakPolarHBondContact O-CG1 3.46Å; M49-I53 PolarHBondContact O-N 3.46Å
50	F	61.9	Low	64.7	Low	90 Å²	90	110 Å²	110	40%	0.395	53%	0.529	S	S	.	.	H	α-helix	trans	-64.4	-45.9	177.1	-73.3	-60.8	0	0	0	112.4	L46 K47 T48 N52 I53 Q54 F86	L46-F50 HydrophobicContact CB-CD2 4.43Å; L46-F50 HydrophobicContact CB-CE2 4.17Å; L46-F50 HydrophobicContact CD2-CE2 3.65Å; L46-F50 HydrophobicContact CD2-CZ 4.13Å; L46-F50 WeakPolarHBondContact O-CD2 3.44Å; L46-F50 PolarHBondContact O-N 3.28Å; K47-F50 PolarHBondContact O-N 3Å; T48-F50 VanDerWaalsContact C-N 3.3Å; T48-F50 PolarHBondContact O-N 3.21Å; F50-N52 VanDerWaalsContact C-N 3.31Å; F50-N52 PolarHBondContact O-N 2.92Å; F50-I53 PolarHBondContact O-N 3.1Å; F50-Q54 WeakPolarHBondContact O-CB 3.24Å; F50-Q54 PolarHBondContact O-N 3.28Å; F50-F86 HydrophobicContact CE1-CB 3.98Å; F50-F86 HydrophobicContact CE1-CD2 4.3Å; F50-F86 HydrophobicContact CE1-CG 4.31Å; F50-F86 HydrophobicContact CZ-CB 4.21Å; F50-F86 HydrophobicContact CZ-CG 4.44Å
51	S	63.4	Low	63.5	Low	58 Å²	58	111 Å²	111	41%	0.406	54%	0.535	S	S	.	.	H	α-helix	trans	-57.7	-44	175.2	-63.6	0	0	0	0	111.7	K47 T48 I53 Q54 E55	K47-S51 PolarHBondContact O-N 3.49Å; K47-S51 PolarHBondContact O-OG 2.91Å; T48-S51 PolarHBondContact O-N 3.49Å; S51-I53 PolarHBondContact O-N 3.38Å; S51-Q54 WeakPolarHBondContact O-CB 3.48Å; S51-Q54 PolarHBondContact O-N 2.91Å; S51-E55 WeakPolarHBondContact O-CG 3.33Å; S51-E55 PolarHBondContact O-N 3.06Å
52	N	61.9	Low	62.5	Low	92 Å²	92	114 Å²	114	49%	0.492	55%	0.549	S	S	.	.	H	α-helix	trans	-66.2	-37.3	178.6	-66.9	-5.8	0	0	0	112.6	T48 M49 F50 Q54 S56	T48-N52 PolarHBondContact O-N 2.71Å; T48-N52 PolarHBondContact O-OD1 2.94Å; M49-N52 PolarHBondContact O-N 3.08Å; F50-N52 VanDerWaalsContact C-N 3.31Å; F50-N52 PolarHBondContact O-N 2.92Å; N52-Q54 VanDerWaalsContact C-N 3.32Å; N52-S56 WeakPolarHBondContact O-CB 3.49Å; N52-S56 PolarHBondContact O-N 3.43Å; N52-S56 VanDerWaalsContact O-N 3.08Å; N52-S56 PolarHBondContact O-OG 3.12Å
53	I	59.5	Low	61.8	Low	83 Å²	83	108.7 Å²	108.7	43%	0.426	53%	0.53	S	S	.	.	H	α-helix	trans	-67.9	-36.8	174.1	-68.7	164.6	0	0	0	110.6	M49 F50 S51 S56 K57	M49-I53 WeakPolarHBondContact O-CD1 3.48Å; M49-I53 VanDerWaalsContact O-CG1 3.24Å; M49-I53 WeakPolarHBondContact O-CG1 3.46Å; M49-I53 PolarHBondContact O-N 3.46Å; F50-I53 PolarHBondContact O-N 3.1Å; S51-I53 PolarHBondContact O-N 3.38Å; I53-S56 PolarHBondContact O-OG 2.96Å; I53-K57 HydrophobicContact CG2-CD 4.2Å; I53-K57 WeakPolarHBondContact O-CB 2.99Å; I53-K57 WeakPolarHBondContact O-CG 3.47Å; I53-K57 PolarHBondContact O-N 3.37Å; I53-K57 VanDerWaalsContact O-N 3.14Å
54	Q	55.1	Low	61.3	Low	107 Å²	107	112.9 Å²	112.9	50%	0.5	55%	0.548	S	S	.	.	H	α-helix	trans	-66.6	-51.7	178.7	-169.7	175.8	-13.4	0	0	110.2	F50 S51 N52 S56 K57 Y58	F50-Q54 WeakPolarHBondContact O-CB 3.24Å; F50-Q54 PolarHBondContact O-N 3.28Å; S51-Q54 WeakPolarHBondContact O-CB 3.48Å; S51-Q54 PolarHBondContact O-N 2.91Å; N52-Q54 VanDerWaalsContact C-N 3.32Å; Q54-S56 VanDerWaalsContact C-N 3.3Å; Q54-S56 PolarHBondContact O-N 2.92Å; Q54-K57 PolarHBondContact O-N 3.35Å; Q54-K57 VanDerWaalsContact O-N 3.13Å; Q54-Y58 HydrophobicContact CG-CD2 3.6Å; Q54-Y58 HydrophobicContact CG-CE2 3.35Å; Q54-Y58 VanDerWaalsContact O-CD2 3.22Å; Q54-Y58 WeakPolarHBondContact O-CD2 3.39Å; Q54-Y58 PolarHBondContact O-N 2.91Å
55	E	57.4	Low	60.8	Low	133 Å²	133	108.3 Å²	108.3	62%	0.621	53%	0.533	S	S	*	.	H	α-helix	trans	-57	-42.4	176.9	-73.7	179.7	-177.7	0	0	111.9	S51 K57 H59	S51-E55 WeakPolarHBondContact O-CG 3.33Å; S51-E55 PolarHBondContact O-N 3.06Å; E55-K57 VanDerWaalsContact C-N 3.33Å; E55-K57 PolarHBondContact O-N 3.41Å; E55-H59 PolarHBondContact O-CD2 3.16Å
56	S	53.7	Low	60.8	Low	69 Å²	69	110.4 Å²	110.4	48%	0.483	54%	0.543	S	S	.	.	H	α-helix	trans	-66.4	-32.5	178.3	70.5	0	0	0	0	113.6	N52 I53 Q54	N52-S56 WeakPolarHBondContact O-CB 3.49Å; N52-S56 PolarHBondContact O-N 3.43Å; N52-S56 VanDerWaalsContact O-N 3.08Å; N52-S56 PolarHBondContact O-OG 3.12Å; I53-S56 PolarHBondContact O-OG 2.96Å; Q54-S56 VanDerWaalsContact C-N 3.3Å; Q54-S56 PolarHBondContact O-N 2.92Å
57	K	51.8	Low	60.8	Low	96 Å²	96	110.4 Å²	110.4	42%	0.417	56%	0.555	S	S	.	*	H	α-helix	trans	-82.4	-27.8	-179.3	-76.5	-174.8	177.5	-170.3	0	114.3	I53 Q54 E55 H59 N80	I53-K57 HydrophobicContact CG2-CD 4.2Å; I53-K57 WeakPolarHBondContact O-CB 2.99Å; I53-K57 WeakPolarHBondContact O-CG 3.47Å; I53-K57 PolarHBondContact O-N 3.37Å; I53-K57 VanDerWaalsContact O-N 3.14Å; Q54-K57 PolarHBondContact O-N 3.35Å; Q54-K57 VanDerWaalsContact O-N 3.13Å; E55-K57 VanDerWaalsContact C-N 3.33Å; E55-K57 PolarHBondContact O-N 3.41Å; K57-H59 PolarHBondContact O-N 3.41Å; K57-N80 PolarHBondContact NZ-O 3.22Å
58	Y	48.6	Very low	61.2	Low	177 Å²	177	112.4 Å²	112.4	69%	0.694	57%	0.572	S	S	*	*	S	Bend	trans	-75.9	-4	176.8	-81.9	-75.6	0	0	0	113.4	Q54 N60	Q54-Y58 HydrophobicContact CG-CD2 3.6Å; Q54-Y58 HydrophobicContact CG-CE2 3.35Å; Q54-Y58 VanDerWaalsContact O-CD2 3.22Å; Q54-Y58 WeakPolarHBondContact O-CD2 3.39Å; Q54-Y58 PolarHBondContact O-N 2.91Å; Y58-N60 PolarHBondContact O-N 3.43Å
59	H	51.3	Low	61.3	Low	139 Å²	139	109.9 Å²	109.9	64%	0.644	56%	0.557	S	S	*	*	S	Bend	trans	-69.4	78	162.6	-71.1	-61.2	0	0	0	110.1	E55 K57 D61	E55-H59 PolarHBondContact O-CD2 3.16Å; K57-H59 PolarHBondContact O-N 3.41Å; H59-D61 PolarHBondContact O-N 3.12Å
60	N	48.1	Very low	61.9	Low	164 Å²	164	108.5 Å²	108.5	88%	0.877	56%	0.556	S	S	*	*			trans	40	15.7	153	-77.9	-14.4	0	0	0	120.1	Y58 E62	Y58-N60 PolarHBondContact O-N 3.43Å; N60-E62 PolarHBondContact O-N 2.95Å
61	D	53.4	Low	62.5	Low	116 Å²	116	111 Å²	111	62%	0.62	57%	0.571	S	S	*	*			trans	-79.1	95.1	-174.7	-89.6	-16.8	0	0	0	107.8	H59 F63 H81	H59-D61 PolarHBondContact O-N 3.12Å; D61-F63 PolarHBondContact O-N 2.8Å; D61-H81 PolarHBondContact O-CE1 2.97Å; D61-H81 VanDerWaalsContact O-CE1 3.31Å
62	E	61.4	Low	62.7	Low	160 Å²	160	114.9 Å²	114.9	75%	0.748	59%	0.587	S	S	*	*			trans	-40.6	132.1	153.4	-76.3	-177.1	160.5	0	0	108.3	N60 Q64	N60-E62 PolarHBondContact O-N 2.95Å; E62-Q64 WeakPolarHBondContact O-CG 3.29Å; E62-Q64 PolarHBondContact O-N 3.04Å
63	F	61	Low	63.1	Low	62 Å²	62	112.7 Å²	112.7	27%	0.272	58%	0.579	S	S	.	*			trans	-54.7	104.8	178	173.8	-110.5	0	0	0	110.8	D61 P65 Q77 L78 H81	D61-F63 PolarHBondContact O-N 2.8Å; F63-P65 HydrophobicContact CE1-CB 3.9Å; F63-P65 HydrophobicContact CE1-CG 4Å; F63-P65 HydrophobicContact CZ-CB 3.91Å; F63-P65 HydrophobicContact CZ-CG 4.49Å; F63-P65 VanDerWaalsContact O-CD 3.22Å; F63-P65 WeakPolarHBondContact O-CD 3.45Å; F63-Q77 VanDerWaalsContact CE2-C 3.45Å; F63-Q77 HydrophobicContact CE2-CB 3.71Å; F63-Q77 HydrophobicContact CZ-CB 3.79Å; F63-L78 HydrophobicContact CD1-CD1 3.82Å; F63-L78 HydrophobicContact CD2-CD1 4.3Å; F63-L78 HydrophobicContact CE1-CB 4.05Å; F63-L78 HydrophobicContact CE1-CD1 4.06Å; F63-L78 HydrophobicContact CE2-CB 4.21Å; F63-L78 HydrophobicContact CG-CD1 3.94Å; F63-L78 HydrophobicContact CZ-CB 3.81Å; F63-L78 HydrophobicContact CZ-CD1 4.41Å; F63-H81 HydrophobicContact CD2-CB 3.7Å; F63-H81 AromaticContact CD2-CG 3.69Å; F63-H81 HydrophobicContact CE2-CB 4.16Å
64	Q	64.8	Low	63.5	Low	158 Å²	158	113.9 Å²	113.9	74%	0.738	58%	0.578	S	S	*	*			trans	-103	97.5	175.4	-71	-173.4	16.2	0	0	110	E62	E62-Q64 WeakPolarHBondContact O-CG 3.29Å; E62-Q64 PolarHBondContact O-N 3.04Å
65	P	68.1	Low	64	Low	53 Å²	53	112.9 Å²	112.9	34%	0.344	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-66.7	147.3	175.7	27.1	-32.9	0	0	0	110.7	F63 A67 R74	F63-P65 HydrophobicContact CE1-CB 3.9Å; F63-P65 HydrophobicContact CE1-CG 4Å; F63-P65 HydrophobicContact CZ-CB 3.91Å; F63-P65 HydrophobicContact CZ-CG 4.49Å; F63-P65 VanDerWaalsContact O-CD 3.22Å; F63-P65 WeakPolarHBondContact O-CD 3.45Å; P65-A67 PolarHBondContact O-N 3Å; P65-R74 HydrophobicContact CB-CG 3.94Å
66	K	73.8	Confident	64.3	Low	159 Å²	159	114.4 Å²	114.4	69%	0.691	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-57.7	132.5	174.9	-70.5	-178.3	179.7	-178.7	0	111	N68 S69	K66-N68 PolarHBondContact O-N 3.44Å; K66-S69 VanDerWaalsContact O-CB 3.32Å; K66-S69 WeakPolarHBondContact O-CB 3.48Å; K66-S69 PolarHBondContact O-N 3.49Å; K66-S69 PolarHBondContact O-OG 3.12Å
67	A	72.7	Confident	65.1	Low	89 Å²	89	113 Å²	113	74%	0.736	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.1	139.1	169.6	0	0	0	0	0	110.3	P65 S69	P65-A67 PolarHBondContact O-N 3Å; A67-S69 PolarHBondContact O-N 3.49Å
68	N	79.8	Confident	65.9	Low	163 Å²	163	112.1 Å²	112.1	87%	0.872	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	65.3	12.1	180	-50.8	-28.6	0	0	0	116.4	K66	K66-N68 PolarHBondContact O-N 3.44Å
69	S	73.7	Confident	66.8	Low	18 Å²	18	107.4 Å²	107.4	13%	0.126	55%	0.548	C	S	.	.			trans	-70.3	145.7	170.3	56.9	0	0	0	0	111.8	K66 A67 R74	K66-S69 VanDerWaalsContact O-CB 3.32Å; K66-S69 WeakPolarHBondContact O-CB 3.48Å; K66-S69 PolarHBondContact O-N 3.49Å; K66-S69 PolarHBondContact O-OG 3.12Å; A67-S69 PolarHBondContact O-N 3.49Å; S69-R74 PolarHBondContact O-NE 3.06Å; S69-R74 PolarHBondContact O-NH2 3.08Å; S69-R74 WeakPolarHBondContact OG-CG 3.24Å; S69-R74 PolarHBondContact OG-NE 3.45Å; S69-R74 VanDerWaalsContact OG-NE 3.09Å
70	T	79	Confident	67.5	Low	93 Å²	93	102.8 Å²	102.8	57%	0.571	53%	0.528	S	S	*	.			trans	-67.5	158.1	173.2	62.6	0	0	0	0	111	L72 S73 R74	T70-L72 PolarHBondContact O-N 3.21Å; T70-S73 WeakPolarHBondContact O-CB 3.31Å; T70-S73 PolarHBondContact O-N 3.49Å; T70-S73 WeakPolarHBondContact OG1-CB 3.46Å; T70-S73 PolarHBondContact OG1-N 3Å; T70-R74 WeakPolarHBondContact O-CG 3.33Å; T70-R74 PolarHBondContact O-N 3.19Å
71	I	74	Confident	68.3	Low	141 Å²	141	99.1 Å²	99.1	72%	0.723	51%	0.505	S	S	*	.	H	α-helix	trans	-52.3	-45.6	176.2	-66.6	169.9	0	0	0	110.8	S73 R74 V75	I71-S73 VanDerWaalsContact C-N 3.32Å; I71-S73 PolarHBondContact O-N 2.92Å; I71-R74 PolarHBondContact O-N 3.38Å; I71-R74 VanDerWaalsContact O-N 3.13Å; I71-V75 HydrophobicContact CG2-CG2 4.47Å; I71-V75 WeakPolarHBondContact O-CG2 3.39Å; I71-V75 PolarHBondContact O-N 3.24Å
72	L	67.1	Low	68.8	Low	141 Å²	141	97.1 Å²	97.1	74%	0.738	50%	0.5	S	S	*	.	H	α-helix	trans	-60	-41.6	178.5	-169.6	68.3	0	0	0	112.2	T70 R74 V75 W76	T70-L72 PolarHBondContact O-N 3.21Å; L72-R74 VanDerWaalsContact C-N 3.35Å; L72-R74 PolarHBondContact O-N 3.39Å; L72-V75 PolarHBondContact O-N 3.44Å; L72-W76 PolarHBondContact O-N 3.06Å
73	S	70.2	Confident	68.8	Low	45 Å²	45	95 Å²	95	32%	0.315	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-37.8	176.6	-173.2	0	0	0	0	112	T70 I71 W76 Q77	T70-S73 WeakPolarHBondContact O-CB 3.31Å; T70-S73 PolarHBondContact O-N 3.49Å; T70-S73 WeakPolarHBondContact OG1-CB 3.46Å; T70-S73 PolarHBondContact OG1-N 3Å; I71-S73 VanDerWaalsContact C-N 3.32Å; I71-S73 PolarHBondContact O-N 2.92Å; S73-W76 PolarHBondContact O-N 3.46Å; S73-Q77 WeakPolarHBondContact O-CB 3.44Å; S73-Q77 WeakPolarHBondContact O-CG 3.33Å; S73-Q77 PolarHBondContact O-N 2.89Å; S73-Q77 PolarHBondContact O-NE2 3.28Å; S73-Q77 PolarHBondContact OG-NE2 2.9Å
74	R	67.9	Low	68.4	Low	108 Å²	108	94.7 Å²	94.7	41%	0.408	49%	0.489	S	S	.	.	H	α-helix	trans	-67.6	-40.3	176.5	-64.5	179.5	-165.1	179.9	6.5	112.1	P65 S69 T70 I71 L72 W76 Q77 L78	P65-R74 HydrophobicContact CB-CG 3.94Å; S69-R74 PolarHBondContact O-NE 3.06Å; S69-R74 PolarHBondContact O-NH2 3.08Å; S69-R74 WeakPolarHBondContact OG-CG 3.24Å; S69-R74 PolarHBondContact OG-NE 3.45Å; S69-R74 VanDerWaalsContact OG-NE 3.09Å; T70-R74 WeakPolarHBondContact O-CG 3.33Å; T70-R74 PolarHBondContact O-N 3.19Å; I71-R74 PolarHBondContact O-N 3.38Å; I71-R74 VanDerWaalsContact O-N 3.13Å; L72-R74 VanDerWaalsContact C-N 3.35Å; L72-R74 PolarHBondContact O-N 3.39Å; R74-W76 VanDerWaalsContact C-N 3.34Å; R74-Q77 PolarHBondContact O-N 3.22Å; R74-L78 VanDerWaalsContact O-CB 3.3Å; R74-L78 WeakPolarHBondContact O-CB 3.47Å; R74-L78 PolarHBondContact O-N 2.76Å
75	V	66.2	Low	67.8	Low	87 Å²	87	90.7 Å²	90.7	53%	0.527	48%	0.476	S	S	.	.	H	α-helix	trans	-62.7	-42.6	174.6	173.9	0	0	0	0	110.6	I71 L72 L78 F79	I71-V75 HydrophobicContact CG2-CG2 4.47Å; I71-V75 WeakPolarHBondContact O-CG2 3.39Å; I71-V75 PolarHBondContact O-N 3.24Å; L72-V75 PolarHBondContact O-N 3.44Å; V75-L78 PolarHBondContact O-N 2.91Å; V75-F79 VanDerWaalsContact O-CB 3.29Å; V75-F79 WeakPolarHBondContact O-CB 3.44Å; V75-F79 PolarHBondContact O-N 3.28Å
76	W	64.7	Low	67	Low	165 Å²	165	93.8 Å²	93.8	63%	0.625	48%	0.484	S	S	*	.	H	α-helix	trans	-64.1	-43	175.1	-172.7	-112	0	0	0	112.4	L72 S73 R74 L78 F79 N80	L72-W76 PolarHBondContact O-N 3.06Å; S73-W76 PolarHBondContact O-N 3.46Å; R74-W76 VanDerWaalsContact C-N 3.34Å; W76-L78 VanDerWaalsContact C-N 3.35Å; W76-F79 HydrophobicContact CZ3-CD1 4.33Å; W76-F79 PolarHBondContact O-N 3.02Å; W76-N80 VanDerWaalsContact CD1-ND2 3.26Å; W76-N80 PolarHBondContact NE1-ND2 3.35Å; W76-N80 WeakPolarHBondContact O-CB 3.38Å; W76-N80 PolarHBondContact O-N 3.11Å; W76-N80 PolarHBondContact O-ND2 3.39Å; W76-N80 VanDerWaalsContact O-ND2 3.14Å
77	Q	69.8	Low	66	Low	40 Å²	40	92 Å²	92	19%	0.187	48%	0.482	C	S	.	.	H	α-helix	trans	-63.1	-41.3	175.7	-71.3	168	40	0	0	111.5	F63 S73 R74 N80 H81	F63-Q77 VanDerWaalsContact CE2-C 3.45Å; F63-Q77 HydrophobicContact CE2-CB 3.71Å; F63-Q77 HydrophobicContact CZ-CB 3.79Å; S73-Q77 WeakPolarHBondContact O-CB 3.44Å; S73-Q77 WeakPolarHBondContact O-CG 3.33Å; S73-Q77 PolarHBondContact O-N 2.89Å; S73-Q77 PolarHBondContact O-NE2 3.28Å; S73-Q77 PolarHBondContact OG-NE2 2.9Å; R74-Q77 PolarHBondContact O-N 3.22Å; Q77-N80 PolarHBondContact O-N 2.94Å; Q77-H81 VanDerWaalsContact O-CB 3.27Å; Q77-H81 WeakPolarHBondContact O-CB 3.37Å; Q77-H81 PolarHBondContact O-N 3.47Å
78	L	68.6	Low	65.1	Low	76 Å²	76	91.2 Å²	91.2	40%	0.398	47%	0.465	S	S	.	.	H	α-helix	trans	-67.3	-42	176.1	-177	66.4	0	0	0	111.1	F63 R74 V75 W76 N80 H81 C82	F63-L78 HydrophobicContact CD1-CD1 3.82Å; F63-L78 HydrophobicContact CD2-CD1 4.3Å; F63-L78 HydrophobicContact CE1-CB 4.05Å; F63-L78 HydrophobicContact CE1-CD1 4.06Å; F63-L78 HydrophobicContact CE2-CB 4.21Å; F63-L78 HydrophobicContact CG-CD1 3.94Å; F63-L78 HydrophobicContact CZ-CB 3.81Å; F63-L78 HydrophobicContact CZ-CD1 4.41Å; R74-L78 VanDerWaalsContact O-CB 3.3Å; R74-L78 WeakPolarHBondContact O-CB 3.47Å; R74-L78 PolarHBondContact O-N 2.76Å; V75-L78 PolarHBondContact O-N 2.91Å; W76-L78 VanDerWaalsContact C-N 3.35Å; L78-N80 VanDerWaalsContact C-N 3.28Å; L78-N80 PolarHBondContact O-N 2.93Å; L78-H81 CarbonylContact O-C 3.57Å; L78-H81 WeakPolarHBondContact O-CB 3.5Å; L78-H81 PolarHBondContact O-N 3.34Å; L78-H81 VanDerWaalsContact O-N 3.1Å; L78-C82 WeakPolarHBondContact CD1-SG 3.49Å; L78-C82 WeakPolarHBondContact O-CB 3.47Å; L78-C82 PolarHBondContact O-N 2.96Å; L78-C82 PolarHBondContact O-SG 3.49Å
79	F	66.9	Low	63.7	Low	78 Å²	78	86 Å²	86	34%	0.342	44%	0.437	S	S	.	.	H	α-helix	trans	-59.7	-42.2	173.6	-172.9	-94.9	0	0	0	110.7	V75 W76 H81 F83 L84	V75-F79 VanDerWaalsContact O-CB 3.29Å; V75-F79 WeakPolarHBondContact O-CB 3.44Å; V75-F79 PolarHBondContact O-N 3.28Å; W76-F79 HydrophobicContact CZ3-CD1 4.33Å; W76-F79 PolarHBondContact O-N 3.02Å; F79-H81 VanDerWaalsContact C-N 3.29Å; F79-H81 PolarHBondContact O-N 2.84Å; F79-F83 HydrophobicContact CD1-CB 4.49Å; F79-F83 HydrophobicContact CD2-CB 3.97Å; F79-F83 AromaticContact CD2-CD2 3.85Å; F79-F83 HydrophobicContact CD2-CD2 3.85Å; F79-F83 HydrophobicContact CD2-CG 4.12Å; F79-F83 HydrophobicContact CE1-CB 4.36Å; F79-F83 HydrophobicContact CE2-CB 3.83Å; F79-F83 HydrophobicContact CE2-CD2 4.17Å; F79-F83 HydrophobicContact CE2-CG 4.03Å; F79-F83 HydrophobicContact CG-CB 4.31Å; F79-F83 HydrophobicContact CZ-CB 4.04Å; F79-F83 WeakPolarHBondContact O-CA 3.49Å; F79-F83 VanDerWaalsContact O-CB 3.31Å; F79-F83 WeakPolarHBondContact O-CB 3.31Å; F79-F83 PolarHBondContact O-N 2.95Å; F79-L84 PolarHBondContact O-N 3.46Å
80	N	65.3	Low	62.8	Low	42 Å²	42	86.9 Å²	86.9	23%	0.225	45%	0.446	C	S	.	.	H	α-helix	trans	-68.6	-28.5	175.1	-68.3	-23.9	0	0	0	113.8	K57 W76 Q77 L78 L84	K57-N80 PolarHBondContact NZ-O 3.22Å; W76-N80 VanDerWaalsContact CD1-ND2 3.26Å; W76-N80 PolarHBondContact NE1-ND2 3.35Å; W76-N80 WeakPolarHBondContact O-CB 3.38Å; W76-N80 PolarHBondContact O-N 3.11Å; W76-N80 PolarHBondContact O-ND2 3.39Å; W76-N80 VanDerWaalsContact O-ND2 3.14Å; Q77-N80 PolarHBondContact O-N 2.94Å; L78-N80 VanDerWaalsContact C-N 3.28Å; L78-N80 PolarHBondContact O-N 2.93Å; N80-L84 HydrophobicContact CB-CD1 3.63Å; N80-L84 HydrophobicContact CB-CG 4.3Å; N80-L84 WeakPolarHBondContact O-CB 3.45Å; N80-L84 WeakPolarHBondContact OD1-CD1 3.42Å
81	H	66.9	Low	61.7	Low	88 Å²	88	88.6 Å²	88.6	41%	0.407	45%	0.445	S	S	.	.	H	α-helix	trans	-77.9	-46.8	176.9	-179.6	79.2	0	0	0	111.5	D61 F63 Q77 L78 F79	D61-H81 PolarHBondContact O-CE1 2.97Å; D61-H81 VanDerWaalsContact O-CE1 3.31Å; F63-H81 HydrophobicContact CD2-CB 3.7Å; F63-H81 AromaticContact CD2-CG 3.69Å; F63-H81 HydrophobicContact CE2-CB 4.16Å; Q77-H81 VanDerWaalsContact O-CB 3.27Å; Q77-H81 WeakPolarHBondContact O-CB 3.37Å; Q77-H81 PolarHBondContact O-N 3.47Å; L78-H81 CarbonylContact O-C 3.57Å; L78-H81 WeakPolarHBondContact O-CB 3.5Å; L78-H81 PolarHBondContact O-N 3.34Å; L78-H81 VanDerWaalsContact O-N 3.1Å; F79-H81 VanDerWaalsContact C-N 3.29Å; F79-H81 PolarHBondContact O-N 2.84Å
82	C	62.8	Low	60.7	Low	74 Å²	74	86.9 Å²	86.9	50%	0.5	44%	0.436	S	S	.	.	H	α-helix	trans	-88.6	-36.1	-175.1	-63.1	0	0	0	0	114.4	L78	L78-C82 WeakPolarHBondContact CD1-SG 3.49Å; L78-C82 WeakPolarHBondContact O-CB 3.47Å; L78-C82 PolarHBondContact O-N 2.96Å; L78-C82 PolarHBondContact O-SG 3.49Å
83	F	60.9	Low	60	Low	114 Å²	114	84.1 Å²	84.1	50%	0.5	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-12.9	-164.6	-72.4	-81.3	0	0	0	115.4	F79 T85	F79-F83 HydrophobicContact CD1-CB 4.49Å; F79-F83 HydrophobicContact CD2-CB 3.97Å; F79-F83 AromaticContact CD2-CD2 3.85Å; F79-F83 HydrophobicContact CD2-CD2 3.85Å; F79-F83 HydrophobicContact CD2-CG 4.12Å; F79-F83 HydrophobicContact CE1-CB 4.36Å; F79-F83 HydrophobicContact CE2-CB 3.83Å; F79-F83 HydrophobicContact CE2-CD2 4.17Å; F79-F83 HydrophobicContact CE2-CG 4.03Å; F79-F83 HydrophobicContact CG-CB 4.31Å; F79-F83 HydrophobicContact CZ-CB 4.04Å; F79-F83 WeakPolarHBondContact O-CA 3.49Å; F79-F83 VanDerWaalsContact O-CB 3.31Å; F79-F83 WeakPolarHBondContact O-CB 3.31Å; F79-F83 PolarHBondContact O-N 2.95Å; F83-T85 PolarHBondContact O-N 3.01Å
84	L	52.3	Low	59.3	Low	57 Å²	57	88.4 Å²	88.4	30%	0.298	44%	0.436	S	S	.	.			trans	-78	62.2	170.4	-72.2	177.4	0	0	0	111.6	F79 N80 F86	F79-L84 PolarHBondContact O-N 3.46Å; N80-L84 HydrophobicContact CB-CD1 3.63Å; N80-L84 HydrophobicContact CB-CG 4.3Å; N80-L84 WeakPolarHBondContact O-CB 3.45Å; N80-L84 WeakPolarHBondContact OD1-CD1 3.42Å; L84-F86 HydrophobicContact CD2-CD2 4.42Å; L84-F86 HydrophobicContact CD2-CE2 4.39Å
85	T	53.3	Low	58.6	Low	74 Å²	74	88.4 Å²	88.4	45%	0.454	45%	0.445	S	S	.	.			trans	-86.3	113.9	130.4	45.8	0	0	0	0	104.9	F83 D87 N88 L89	F83-T85 PolarHBondContact O-N 3.01Å; T85-D87 PolarHBondContact O-N 3.29Å; T85-N88 PolarHBondContact O-N 3.38Å; T85-N88 PolarHBondContact OG1-ND2 2.95Å; T85-N88 VanDerWaalsContact OG1-ND2 3.16Å; T85-L89 PolarHBondContact O-N 3.37Å
86	F	51.7	Low	57.8	Low	118 Å²	118	89.7 Å²	89.7	52%	0.518	45%	0.448	S	S	.	.	H	α-helix	trans	-51.6	-23.1	175.3	-113.4	-94.7	0	0	0	111.4	F50 L84 L89 A90	F50-F86 HydrophobicContact CE1-CB 3.98Å; F50-F86 HydrophobicContact CE1-CD2 4.3Å; F50-F86 HydrophobicContact CE1-CG 4.31Å; F50-F86 HydrophobicContact CZ-CB 4.21Å; F50-F86 HydrophobicContact CZ-CG 4.44Å; L84-F86 HydrophobicContact CD2-CD2 4.42Å; L84-F86 HydrophobicContact CD2-CE2 4.39Å; F86-L89 HydrophobicContact CE1-CD2 4.47Å; F86-L89 PolarHBondContact O-N 3.43Å; F86-A90 WeakPolarHBondContact O-CA 3.46Å; F86-A90 WeakPolarHBondContact O-CB 3.37Å; F86-A90 PolarHBondContact O-N 3.05Å
87	D	52.9	Low	57.1	Low	121 Å²	121	88.7 Å²	88.7	65%	0.647	45%	0.45	S	S	*	.	H	α-helix	trans	-60.2	-39.9	170.4	-73.2	-14.1	0	0	0	114.2	T85 K91	T85-D87 PolarHBondContact O-N 3.29Å; D87-K91 VanDerWaalsContact O-CB 3.24Å; D87-K91 WeakPolarHBondContact O-CB 3.31Å; D87-K91 VanDerWaalsContact O-CG 3.25Å; D87-K91 WeakPolarHBondContact O-CG 3.31Å; D87-K91 PolarHBondContact O-N 3.44Å
88	N	53.9	Low	56.3	Low	73 Å²	73	90.5 Å²	90.5	39%	0.39	47%	0.472	S	S	.	.	H	α-helix	trans	-71.2	-41.4	176.5	-78.5	-17.6	0	0	0	110.5	T85 K91 I92	T85-N88 PolarHBondContact O-N 3.38Å; T85-N88 PolarHBondContact OG1-ND2 2.95Å; T85-N88 VanDerWaalsContact OG1-ND2 3.16Å; N88-K91 PolarHBondContact O-N 3.49Å; N88-I92 WeakPolarHBondContact O-CD1 3.44Å; N88-I92 WeakPolarHBondContact O-CG1 3.47Å; N88-I92 PolarHBondContact O-N 2.99Å
89	L	50.7	Low	55.1	Low	53 Å²	53	93.7 Å²	93.7	28%	0.277	49%	0.489	S	S	.	.	H	α-helix	trans	-65.6	-42.3	175.1	-165.3	74	0	0	0	111.5	T85 F86 I92 I93	T85-L89 PolarHBondContact O-N 3.37Å; F86-L89 HydrophobicContact CE1-CD2 4.47Å; F86-L89 PolarHBondContact O-N 3.43Å; L89-I92 PolarHBondContact O-N 3.25Å; L89-I93 HydrophobicContact CD2-CD1 4.34Å; L89-I93 HydrophobicContact CG-CD1 3.97Å; L89-I93 WeakPolarHBondContact O-CB 3.47Å; L89-I93 VanDerWaalsContact O-CG1 3.22Å; L89-I93 WeakPolarHBondContact O-CG1 3.45Å; L89-I93 PolarHBondContact O-N 2.99Å
90	A	54.2	Low	53.8	Low	37 Å²	37	102 Å²	102	31%	0.306	53%	0.525	S	S	.	.	H	α-helix	trans	-66.6	-39.3	177.4	0	0	0	0	0	111.2	F86 I93 Q94	F86-A90 WeakPolarHBondContact O-CA 3.46Å; F86-A90 WeakPolarHBondContact O-CB 3.37Å; F86-A90 PolarHBondContact O-N 3.05Å; A90-I93 PolarHBondContact O-N 3.32Å; A90-Q94 VanDerWaalsContact O-CB 3.23Å; A90-Q94 WeakPolarHBondContact O-CB 3.44Å; A90-Q94 VanDerWaalsContact O-CG 3.28Å; A90-Q94 WeakPolarHBondContact O-CG 3.38Å; A90-Q94 PolarHBondContact O-N 3.03Å
91	K	54.6	Low	53.2	Low	129 Å²	129	105 Å²	105	56%	0.561	54%	0.54	S	S	*	.	H	α-helix	trans	-63	-42.1	171.1	-82.5	177	178.9	175.5	0	112	D87 N88 N95	D87-K91 VanDerWaalsContact O-CB 3.24Å; D87-K91 WeakPolarHBondContact O-CB 3.31Å; D87-K91 VanDerWaalsContact O-CG 3.25Å; D87-K91 WeakPolarHBondContact O-CG 3.31Å; D87-K91 PolarHBondContact O-N 3.44Å; N88-K91 PolarHBondContact O-N 3.49Å; K91-N95 VanDerWaalsContact O-CB 3.25Å; K91-N95 WeakPolarHBondContact O-CB 3.3Å; K91-N95 PolarHBondContact O-N 3.45Å; K91-N95 PolarHBondContact O-ND2 3.43Å
92	I	52.9	Low	52.5	Low	105 Å²	105	105.8 Å²	105.8	54%	0.538	55%	0.547	S	S	.	.	H	α-helix	trans	-61.5	-49.7	174.9	-69.5	164	0	0	0	109.8	N88 L89 Q94 N95 D96	N88-I92 WeakPolarHBondContact O-CD1 3.44Å; N88-I92 WeakPolarHBondContact O-CG1 3.47Å; N88-I92 PolarHBondContact O-N 2.99Å; L89-I92 PolarHBondContact O-N 3.25Å; I92-Q94 PolarHBondContact O-N 3Å; I92-N95 PolarHBondContact O-N 3.08Å; I92-D96 WeakPolarHBondContact O-CB 3.34Å; I92-D96 PolarHBondContact O-N 3.25Å
93	I	54	Low	52	Low	83 Å²	83	107.6 Å²	107.6	43%	0.426	55%	0.549	S	S	.	.	H	α-helix	trans	-63.3	-42.9	-179.9	-69.4	167.8	0	0	0	111.5	L89 A90 D96 H97	L89-I93 HydrophobicContact CD2-CD1 4.34Å; L89-I93 HydrophobicContact CG-CD1 3.97Å; L89-I93 WeakPolarHBondContact O-CB 3.47Å; L89-I93 VanDerWaalsContact O-CG1 3.22Å; L89-I93 WeakPolarHBondContact O-CG1 3.45Å; L89-I93 PolarHBondContact O-N 2.99Å; A90-I93 PolarHBondContact O-N 3.32Å; I93-D96 PolarHBondContact O-N 3.45Å; I93-H97 WeakPolarHBondContact O-CB 3.31Å; I93-H97 PolarHBondContact O-CD2 3.44Å; I93-H97 PolarHBondContact O-N 3.01Å
94	Q	54.6	Low	51.4	Low	135 Å²	135	107.2 Å²	107.2	63%	0.631	55%	0.552	S	S	*	*	H	α-helix	trans	-64.2	-41.5	176.1	-80	179.9	-17.3	0	0	111.7	A90 I92 A98	A90-Q94 VanDerWaalsContact O-CB 3.23Å; A90-Q94 WeakPolarHBondContact O-CB 3.44Å; A90-Q94 VanDerWaalsContact O-CG 3.28Å; A90-Q94 WeakPolarHBondContact O-CG 3.38Å; A90-Q94 PolarHBondContact O-N 3.03Å; I92-Q94 PolarHBondContact O-N 3Å; Q94-A98 VanDerWaalsContact O-CB 3.31Å; Q94-A98 WeakPolarHBondContact O-CB 3.34Å; Q94-A98 PolarHBondContact O-N 3.37Å
95	N	52.9	Low	51.4	Low	108 Å²	108	110.4 Å²	110.4	58%	0.578	57%	0.568	S	S	*	*	H	α-helix	trans	-68.2	-35.1	176.9	-74	-14.9	0	0	0	112	K91 I92 A98 L99	K91-N95 VanDerWaalsContact O-CB 3.25Å; K91-N95 WeakPolarHBondContact O-CB 3.3Å; K91-N95 PolarHBondContact O-N 3.45Å; K91-N95 PolarHBondContact O-ND2 3.43Å; I92-N95 PolarHBondContact O-N 3.08Å; N95-A98 PolarHBondContact O-N 3.26Å; N95-L99 PolarHBondContact O-N 3.41Å
96	D	50.6	Low	51.3	Low	114 Å²	114	112.8 Å²	112.8	61%	0.61	58%	0.576	S	S	*	*	H	α-helix	trans	-73.5	-37.1	177.5	-130	28.3	0	0	0	111.7	I92 I93 A98 L99	I92-D96 WeakPolarHBondContact O-CB 3.34Å; I92-D96 PolarHBondContact O-N 3.25Å; I93-D96 PolarHBondContact O-N 3.45Å; D96-A98 VanDerWaalsContact C-N 3.28Å; D96-A98 PolarHBondContact O-N 3.39Å; D96-L99 PolarHBondContact O-N 3.36Å; D96-L99 VanDerWaalsContact O-N 3.17Å
97	H	50.1	Low	51.2	Low	143 Å²	143	112.4 Å²	112.4	66%	0.662	58%	0.58	S	S	*	*	H	α-helix	trans	-71.6	-21.8	170.8	-78.8	-65.4	0	0	0	113.3	I93 L99	I93-H97 WeakPolarHBondContact O-CB 3.31Å; I93-H97 PolarHBondContact O-CD2 3.44Å; I93-H97 PolarHBondContact O-N 3.01Å; H97-L99 VanDerWaalsContact C-N 3.28Å
98	A	52	Low	51.1	Low	79 Å²	79	111.8 Å²	111.8	65%	0.653	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-11.3	170.1	0	0	0	0	0	113	Q94 N95 D96	Q94-A98 VanDerWaalsContact O-CB 3.31Å; Q94-A98 WeakPolarHBondContact O-CB 3.34Å; Q94-A98 PolarHBondContact O-N 3.37Å; N95-A98 PolarHBondContact O-N 3.26Å; D96-A98 VanDerWaalsContact C-N 3.28Å; D96-A98 PolarHBondContact O-N 3.39Å
99	L	43.3	Very low	50.9	Low	143 Å²	143	115 Å²	115	75%	0.749	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.6	12.4	178.1	-84.4	163	0	0	0	114	N95 D96 H97	N95-L99 PolarHBondContact O-N 3.41Å; D96-L99 PolarHBondContact O-N 3.36Å; D96-L99 VanDerWaalsContact O-N 3.17Å; H97-L99 VanDerWaalsContact C-N 3.28Å
100	K	40.2	Very low	50.9	Low	251 Å²	251	120.6 Å²	120.6	100%	1.091	62%	0.619	S	S	*	*			trans	-124.6	0	166.9	-77.4	-173.7	178.7	177	0	111

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