A0A5K4F8Z9_SCHMA Loading...

Ovule protein

AlphaFold DB , UniProt , Accession A0A5K4F8Z9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 85 aa.

						>A0A5K4F8Z9_SCHMA|A0A5K4F8Z9
MMSERTSEDCNKLVTYSTTYVRQISGKTSVKCKALKELDTESYVEQISVQIYMRHMAVRALDIESCKIKRLNIFIDLVSNCHLHI
					

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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	47.2	Very low	59.6	Low	243 Å²	243	106.3 Å²	106.3	100%	1.197	53%	0.532	S	S	*	.				0	120.4	0	-77.4	172.5	166.4	0	0	107.7
2	M	48.3	Very low	60.4	Low	125 Å²	125	107.1 Å²	107.1	62%	0.616	53%	0.53	S	S	*	.			trans	-71.5	128.9	165.7	-72.4	-177.9	73.9	0	0	107.4	E4 I63	M2-E4 PolarHBondContact O-N 3.18Å; M2-I63 HydrophobicContact CE-CB 3.99Å; M2-I63 HydrophobicContact CE-CD1 3.21Å; M2-I63 HydrophobicContact CE-CG1 3.28Å; M2-I63 HydrophobicContact CE-CG2 3.72Å
3	S	56.7	Low	60.5	Low	61 Å²	61	103.8 Å²	103.8	43%	0.427	52%	0.515	S	S	.	.			trans	-65.4	137	176.6	86.8	0	0	0	0	108.8	R5 T6 S7	S3-R5 PolarHBondContact O-N 3.16Å; S3-R5 WeakPolarHBondContact OG-CB 3.3Å; S3-T6 WeakPolarHBondContact O-CB 3.47Å; S3-T6 PolarHBondContact O-N 2.78Å; S3-T6 PolarHBondContact O-OG1 3.38Å; S3-T6 PolarHBondContact OG-N 2.77Å; S3-T6 PolarHBondContact OG-OG1 3.46Å; S3-S7 PolarHBondContact O-N 3.25Å
4	E	58.1	Low	60.8	Low	176 Å²	176	98 Å²	98	82%	0.822	49%	0.488	S	S	*	.	H	α-helix	trans	-52.5	-31.1	175.1	-67.5	178.1	157.6	0	0	111.3	M2 T6 S7 E8	M2-E4 PolarHBondContact O-N 3.18Å; E4-T6 PolarHBondContact O-N 3.3Å; E4-S7 WeakPolarHBondContact O-CB 2.92Å; E4-S7 PolarHBondContact O-N 3.36Å; E4-E8 PolarHBondContact O-N 2.69Å
5	R	57.6	Low	61.2	Low	194 Å²	194	97.2 Å²	97.2	73%	0.732	49%	0.491	S	S	*	.	H	α-helix	trans	-58.1	-43.4	174	-141.5	171.6	-173.8	167.7	1.5	112.7	S3 S7 E8 D9	S3-R5 PolarHBondContact O-N 3.16Å; S3-R5 WeakPolarHBondContact OG-CB 3.3Å; R5-S7 VanDerWaalsContact C-N 3.33Å; R5-S7 PolarHBondContact O-N 3.42Å; R5-E8 PolarHBondContact O-N 3.47Å; R5-D9 WeakPolarHBondContact O-CB 2.95Å; R5-D9 PolarHBondContact O-N 3.29Å
6	T	60.3	Low	61.3	Low	49 Å²	49	100.7 Å²	100.7	30%	0.301	50%	0.497	S	S	.	.	H	α-helix	trans	-67.3	-35.3	178.5	-32.1	0	0	0	0	111.3	S3 E4 C10 I63	S3-T6 WeakPolarHBondContact O-CB 3.47Å; S3-T6 PolarHBondContact O-N 2.78Å; S3-T6 PolarHBondContact O-OG1 3.38Å; S3-T6 PolarHBondContact OG-N 2.77Å; S3-T6 PolarHBondContact OG-OG1 3.46Å; E4-T6 PolarHBondContact O-N 3.3Å; T6-C10 WeakPolarHBondContact O-CB 3.14Å; T6-C10 PolarHBondContact O-N 3.3Å; T6-I63 VanDerWaalsContact C-CD1 3.46Å; T6-I63 HydrophobicContact CG2-CD1 3.43Å; T6-I63 VanDerWaalsContact CG2-CD1 3.43Å; T6-I63 HydrophobicContact CG2-CG1 3.64Å; T6-I63 WeakPolarHBondContact O-CD1 2.89Å
7	S	64.7	Low	61.2	Low	59 Å²	59	95.2 Å²	95.2	41%	0.413	47%	0.471	S	S	.	.	H	α-helix	trans	-70.1	-43.2	176	-173.3	0	0	0	0	112	S3 E4 R5 C10 N11	S3-S7 PolarHBondContact O-N 3.25Å; E4-S7 WeakPolarHBondContact O-CB 2.92Å; E4-S7 PolarHBondContact O-N 3.36Å; R5-S7 VanDerWaalsContact C-N 3.33Å; R5-S7 PolarHBondContact O-N 3.42Å; S7-C10 WeakPolarHBondContact O-CB 3.47Å; S7-C10 PolarHBondContact O-N 3.27Å; S7-N11 PolarHBondContact O-N 2.93Å; S7-N11 PolarHBondContact O-ND2 3.5Å
8	E	66.8	Low	61.2	Low	101 Å²	101	92.1 Å²	92.1	47%	0.472	46%	0.458	S	S	.	.	H	α-helix	trans	-64.1	-44.2	176.3	-164.6	-171.2	158.5	0	0	111.5	E4 R5 C10 N11 K12	E4-E8 PolarHBondContact O-N 2.69Å; R5-E8 PolarHBondContact O-N 3.47Å; E8-C10 VanDerWaalsContact C-N 3.32Å; E8-C10 PolarHBondContact O-N 3.4Å; E8-N11 PolarHBondContact O-N 2.85Å; E8-N11 VanDerWaalsContact O-N 3.17Å; E8-K12 WeakPolarHBondContact O-CG 3.3Å; E8-K12 PolarHBondContact O-N 2.85Å; E8-K12 WeakPolarHBondContact OE1-CE 3.22Å; E8-K12 IonicContact OE1-NZ 2.68Å; E8-K12 PolarHBondContact OE1-NZ 3.02Å
9	D	63.8	Low	61.3	Low	76 Å²	76	90.5 Å²	90.5	41%	0.406	45%	0.454	S	S	.	.	H	α-helix	trans	-61.6	-41.1	176	-71.2	-24.1	0	0	0	111	R5 K12 L13	R5-D9 WeakPolarHBondContact O-CB 2.95Å; R5-D9 PolarHBondContact O-N 3.29Å; D9-K12 PolarHBondContact O-N 3.1Å; D9-L13 VanDerWaalsContact O-CB 3.24Å; D9-L13 WeakPolarHBondContact O-CB 3.42Å; D9-L13 WeakPolarHBondContact O-CG 3.33Å; D9-L13 PolarHBondContact O-N 2.92Å
10	C	64.6	Low	61.2	Low	9 Å²	9	89.2 Å²	89.2	6%	0.061	44%	0.444	C	S	.	.	H	α-helix	trans	-60.4	-46.5	172.6	173.8	0	0	0	0	112.3	T6 S7 E8 L13 V14 I63 C66	T6-C10 WeakPolarHBondContact O-CB 3.14Å; T6-C10 PolarHBondContact O-N 3.3Å; S7-C10 WeakPolarHBondContact O-CB 3.47Å; S7-C10 PolarHBondContact O-N 3.27Å; E8-C10 VanDerWaalsContact C-N 3.32Å; E8-C10 PolarHBondContact O-N 3.4Å; C10-L13 WeakPolarHBondContact O-CB 3.26Å; C10-L13 PolarHBondContact O-N 2.71Å; C10-V14 WeakPolarHBondContact O-CB 3.32Å; C10-V14 VanDerWaalsContact O-CG2 3.3Å; C10-V14 WeakPolarHBondContact O-CG2 3.38Å; C10-V14 PolarHBondContact O-N 3.49Å; C10-I63 HydrophobicContact CB-CD1 4Å; C10-C66 WeakPolarHBondContact CA-SG 3.08Å; C10-C66 HydrophobicContact CB-CB 3.92Å; C10-C66 WeakPolarHBondContact CB-SG 3.27Å; C10-C66 VanDerWaalsContact SG-CA 3.58Å; C10-C66 WeakPolarHBondContact SG-CB 3.46Å; C10-C66 CovalentContact SG-SG 2.03Å; C10-C66 PolarHBondContact SG-SG 3.46Å
11	N	68.2	Low	60.9	Low	76 Å²	76	85.7 Å²	85.7	41%	0.406	43%	0.427	S	S	.	.	H	α-helix	trans	-65.9	-40	-179.7	-74.3	-32.2	0	0	0	111.9	S7 E8 L13 V14 T15	S7-N11 PolarHBondContact O-N 2.93Å; S7-N11 PolarHBondContact O-ND2 3.5Å; E8-N11 PolarHBondContact O-N 2.85Å; E8-N11 VanDerWaalsContact O-N 3.17Å; N11-L13 VanDerWaalsContact C-N 3.34Å; N11-V14 PolarHBondContact O-N 3.26Å; N11-T15 VanDerWaalsContact O-CB 3.25Å; N11-T15 WeakPolarHBondContact O-CB 3.33Å; N11-T15 PolarHBondContact O-N 3.31Å; N11-T15 PolarHBondContact O-OG1 2.78Å
12	K	68.1	Low	61.5	Low	116 Å²	116	82.6 Å²	82.6	50%	0.504	40%	0.402	S	S	.	.	H	α-helix	trans	-60.1	-45.8	172.2	-76.1	175.1	-177.5	162	0	111	E8 D9 T15 Y16	E8-K12 WeakPolarHBondContact O-CG 3.3Å; E8-K12 PolarHBondContact O-N 2.85Å; E8-K12 WeakPolarHBondContact OE1-CE 3.22Å; E8-K12 IonicContact OE1-NZ 2.68Å; E8-K12 PolarHBondContact OE1-NZ 3.02Å; D9-K12 PolarHBondContact O-N 3.1Å; K12-T15 PolarHBondContact O-N 3.24Å; K12-Y16 VanDerWaalsContact O-CB 3.29Å; K12-Y16 WeakPolarHBondContact O-CB 3.23Å; K12-Y16 PolarHBondContact O-N 2.9Å
13	L	62.8	Low	61.9	Low	65 Å²	65	82.1 Å²	82.1	34%	0.34	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-52.7	176.6	-79.7	171.7	0	0	0	111	D9 C10 N11 T15 Y16 S17 L61 R70	D9-L13 VanDerWaalsContact O-CB 3.24Å; D9-L13 WeakPolarHBondContact O-CB 3.42Å; D9-L13 WeakPolarHBondContact O-CG 3.33Å; D9-L13 PolarHBondContact O-N 2.92Å; C10-L13 WeakPolarHBondContact O-CB 3.26Å; C10-L13 PolarHBondContact O-N 2.71Å; N11-L13 VanDerWaalsContact C-N 3.34Å; L13-T15 VanDerWaalsContact C-N 3.32Å; L13-T15 PolarHBondContact O-N 2.61Å; L13-Y16 PolarHBondContact O-N 3.2Å; L13-S17 PolarHBondContact O-N 3.41Å; L13-L61 HydrophobicContact CD1-CD1 4.45Å; L13-L61 HydrophobicContact CD1-CD2 3.49Å; L13-L61 VanDerWaalsContact CD1-CD2 3.49Å; L13-R70 VanDerWaalsContact C-NE 3.34Å; L13-R70 VanDerWaalsContact CA-NH2 3.27Å; L13-R70 VanDerWaalsContact CD2-NH2 3.28Å; L13-R70 VanDerWaalsContact O-CZ 3.26Å; L13-R70 PolarHBondContact O-NE 3.16Å; L13-R70 VanDerWaalsContact O-NE 3.12Å; L13-R70 PolarHBondContact O-NH2 3.41Å
14	V	64.1	Low	61.6	Low	22 Å²	22	81.2 Å²	81.2	13%	0.133	39%	0.389	C	S	.	.	H	α-helix	trans	-56	-48.5	177.5	170	0	0	0	0	110.4	C10 N11 Y16 S17 T18 K69 R70 I73	C10-V14 WeakPolarHBondContact O-CB 3.32Å; C10-V14 VanDerWaalsContact O-CG2 3.3Å; C10-V14 WeakPolarHBondContact O-CG2 3.38Å; C10-V14 PolarHBondContact O-N 3.49Å; N11-V14 PolarHBondContact O-N 3.26Å; V14-Y16 PolarHBondContact O-N 3.4Å; V14-S17 PolarHBondContact O-N 2.79Å; V14-T18 PolarHBondContact O-N 3.46Å; V14-T18 PolarHBondContact O-OG1 3.47Å; V14-T18 VanDerWaalsContact O-OG1 3.07Å; V14-K69 HydrophobicContact CG2-CB 4.08Å; V14-K69 HydrophobicContact CG2-CD 4.28Å; V14-R70 HydrophobicContact CG2-CG 4.45Å; V14-I73 HydrophobicContact CG1-CD1 3.94Å
15	T	66.3	Low	61.2	Low	86 Å²	86	75.2 Å²	75.2	53%	0.528	37%	0.366	S	S	.	.	H	α-helix	trans	-60.4	-46.1	179.3	-58.1	0	0	0	0	112.3	N11 K12 L13 S17 T18 T19	N11-T15 VanDerWaalsContact O-CB 3.25Å; N11-T15 WeakPolarHBondContact O-CB 3.33Å; N11-T15 PolarHBondContact O-N 3.31Å; N11-T15 PolarHBondContact O-OG1 2.78Å; K12-T15 PolarHBondContact O-N 3.24Å; L13-T15 VanDerWaalsContact C-N 3.32Å; L13-T15 PolarHBondContact O-N 2.61Å; T15-S17 VanDerWaalsContact C-N 3.34Å; T15-S17 PolarHBondContact O-N 3.26Å; T15-T18 PolarHBondContact O-N 2.71Å; T15-T19 WeakPolarHBondContact O-CB 3.42Å; T15-T19 PolarHBondContact O-N 2.91Å; T15-T19 PolarHBondContact O-OG1 2.81Å
16	Y	63.1	Low	60.7	Low	153 Å²	153	68.5 Å²	68.5	60%	0.6	36%	0.357	S	S	*	.	H	α-helix	trans	-61	-44.5	177.2	-179.7	-97	0	0	0	111.1	K12 L13 V14 T19 Y20	K12-Y16 VanDerWaalsContact O-CB 3.29Å; K12-Y16 WeakPolarHBondContact O-CB 3.23Å; K12-Y16 PolarHBondContact O-N 2.9Å; L13-Y16 PolarHBondContact O-N 3.2Å; V14-Y16 PolarHBondContact O-N 3.4Å; Y16-T19 PolarHBondContact O-N 3.47Å; Y16-Y20 VanDerWaalsContact O-CB 3.27Å; Y16-Y20 WeakPolarHBondContact O-CB 3.24Å; Y16-Y20 PolarHBondContact O-N 3.33Å
17	S	60.5	Low	60.2	Low	7 Å²	7	72.5 Å²	72.5	5%	0.049	37%	0.37	C	S	.	.	H	α-helix	trans	-63.8	-50.3	176.5	-79.1	0	0	0	0	112.1	L13 V14 T15 T19 Y20 V21 R70	L13-S17 PolarHBondContact O-N 3.41Å; V14-S17 PolarHBondContact O-N 2.79Å; T15-S17 VanDerWaalsContact C-N 3.34Å; T15-S17 PolarHBondContact O-N 3.26Å; S17-T19 VanDerWaalsContact C-N 3.29Å; S17-T19 PolarHBondContact O-N 2.74Å; S17-Y20 WeakPolarHBondContact O-CB 3.4Å; S17-Y20 PolarHBondContact O-N 2.77Å; S17-V21 WeakPolarHBondContact O-CG2 3.32Å; S17-V21 PolarHBondContact O-N 3.02Å; S17-R70 PolarHBondContact OG-NE 2.95Å; S17-R70 VanDerWaalsContact OG-NE 3.17Å; S17-R70 PolarHBondContact OG-NH1 3.11Å; S17-R70 PolarHBondContact OG-NH2 3.27Å
18	T	60.4	Low	59.3	Low	39 Å²	39	70.2 Å²	70.2	24%	0.239	35%	0.354	C	S	.	.	H	α-helix	trans	-58	-41.9	177.2	-57.6	0	0	0	0	111.9	V14 T15 V21 R22 I73	V14-T18 PolarHBondContact O-N 3.46Å; V14-T18 PolarHBondContact O-OG1 3.47Å; V14-T18 VanDerWaalsContact O-OG1 3.07Å; T15-T18 PolarHBondContact O-N 2.71Å; T18-V21 WeakPolarHBondContact O-CB 3.03Å; T18-V21 PolarHBondContact O-N 3.05Å; T18-R22 WeakPolarHBondContact O-CB 3.35Å; T18-R22 WeakPolarHBondContact O-CG 3.45Å; T18-R22 PolarHBondContact O-N 3.25Å; T18-I73 VanDerWaalsContact OG1-CD1 3.27Å; T18-I73 WeakPolarHBondContact OG1-CD1 3.27Å
19	T	63.6	Low	58.4	Low	63 Å²	63	69.2 Å²	69.2	39%	0.387	36%	0.358	S	S	.	.	H	α-helix	trans	-63.7	-46.1	177.1	-57.4	0	0	0	0	110.9	T15 Y16 S17 V21 R22 Q23	T15-T19 WeakPolarHBondContact O-CB 3.42Å; T15-T19 PolarHBondContact O-N 2.91Å; T15-T19 PolarHBondContact O-OG1 2.81Å; Y16-T19 PolarHBondContact O-N 3.47Å; S17-T19 VanDerWaalsContact C-N 3.29Å; S17-T19 PolarHBondContact O-N 2.74Å; T19-V21 VanDerWaalsContact C-N 3.33Å; T19-V21 PolarHBondContact O-N 2.87Å; T19-R22 PolarHBondContact O-N 3.36Å; T19-Q23 HydrophobicContact CG2-CG 4.47Å; T19-Q23 WeakPolarHBondContact O-CB 3.5Å; T19-Q23 VanDerWaalsContact O-CG 3.32Å; T19-Q23 WeakPolarHBondContact O-CG 3.46Å; T19-Q23 PolarHBondContact O-N 3.29Å
20	Y	58.8	Low	57.4	Low	63 Å²	63	70.7 Å²	70.7	25%	0.247	37%	0.37	C	S	.	.	H	α-helix	trans	-61.6	-42.2	176	-174.8	-94.6	0	0	0	111.8	Y16 S17 R22 Q23 I24	Y16-Y20 VanDerWaalsContact O-CB 3.27Å; Y16-Y20 WeakPolarHBondContact O-CB 3.24Å; Y16-Y20 PolarHBondContact O-N 3.33Å; S17-Y20 WeakPolarHBondContact O-CB 3.4Å; S17-Y20 PolarHBondContact O-N 2.77Å; Y20-R22 VanDerWaalsContact C-N 3.35Å; Y20-R22 PolarHBondContact O-N 2.88Å; Y20-Q23 PolarHBondContact O-N 2.85Å; Y20-I24 HydrophobicContact CD1-CD1 3.64Å; Y20-I24 HydrophobicContact CD1-CG1 4.23Å; Y20-I24 HydrophobicContact CE1-CD1 3.01Å; Y20-I24 HydrophobicContact CE1-CG1 3.95Å; Y20-I24 HydrophobicContact CE2-CD1 4.3Å; Y20-I24 WeakPolarHBondContact O-CG1 3.29Å; Y20-I24 PolarHBondContact O-N 3.04Å
21	V	55.1	Low	56.4	Low	16 Å²	16	76.1 Å²	76.1	10%	0.097	39%	0.392	C	S	.	.	H	α-helix	trans	-58.8	-46.9	174.2	173.9	0	0	0	0	110.7	S17 T18 T19 I24 S25 I73 L77	S17-V21 WeakPolarHBondContact O-CG2 3.32Å; S17-V21 PolarHBondContact O-N 3.02Å; T18-V21 WeakPolarHBondContact O-CB 3.03Å; T18-V21 PolarHBondContact O-N 3.05Å; T19-V21 VanDerWaalsContact C-N 3.33Å; T19-V21 PolarHBondContact O-N 2.87Å; V21-I24 PolarHBondContact O-N 3.45Å; V21-S25 VanDerWaalsContact O-CB 3.23Å; V21-S25 WeakPolarHBondContact O-CB 3.41Å; V21-S25 PolarHBondContact O-N 3.48Å; V21-S25 PolarHBondContact O-OG 3.23Å; V21-I73 HydrophobicContact CB-CG2 4.39Å; V21-I73 HydrophobicContact CG2-CG2 3.28Å; V21-L77 HydrophobicContact CB-CD1 4.32Å; V21-L77 HydrophobicContact CB-CD2 3.97Å; V21-L77 HydrophobicContact CB-CG 4Å; V21-L77 HydrophobicContact CG1-CD1 4.46Å; V21-L77 HydrophobicContact CG1-CD2 3.61Å; V21-L77 HydrophobicContact CG1-CG 3.63Å; V21-L77 HydrophobicContact CG2-CD1 3.32Å; V21-L77 HydrophobicContact CG2-CD2 3.89Å; V21-L77 HydrophobicContact CG2-CG 3.47Å; V21-L77 VanDerWaalsContact CG2-CG 3.47Å
22	R	59.8	Low	55.1	Low	178 Å²	178	73.9 Å²	73.9	67%	0.672	38%	0.382	S	S	*	.	H	α-helix	trans	-64	-40.1	177.7	-74.8	176.5	177.2	177.3	-0.7	112.6	T18 T19 Y20 S25 G26	T18-R22 WeakPolarHBondContact O-CB 3.35Å; T18-R22 WeakPolarHBondContact O-CG 3.45Å; T18-R22 PolarHBondContact O-N 3.25Å; T19-R22 PolarHBondContact O-N 3.36Å; Y20-R22 VanDerWaalsContact C-N 3.35Å; Y20-R22 PolarHBondContact O-N 2.88Å; R22-S25 WeakPolarHBondContact CA-OG 3.27Å; R22-S25 PolarHBondContact O-OG 3.36Å; R22-S25 VanDerWaalsContact O-OG 3.1Å; R22-G26 PolarHBondContact O-N 3.35Å
23	Q	56.3	Low	54.2	Low	115 Å²	115	76.2 Å²	76.2	54%	0.537	39%	0.392	S	S	.	.	H	α-helix	trans	-67.5	-39.3	177.3	-75.9	178.4	-14.6	0	0	111.7	T19 Y20 K27	T19-Q23 HydrophobicContact CG2-CG 4.47Å; T19-Q23 WeakPolarHBondContact O-CB 3.5Å; T19-Q23 VanDerWaalsContact O-CG 3.32Å; T19-Q23 WeakPolarHBondContact O-CG 3.46Å; T19-Q23 PolarHBondContact O-N 3.29Å; Y20-Q23 PolarHBondContact O-N 2.85Å; Q23-K27 WeakPolarHBondContact O-CB 3.38Å; Q23-K27 VanDerWaalsContact O-CG 3.26Å; Q23-K27 WeakPolarHBondContact O-CG 3.44Å; Q23-K27 PolarHBondContact O-N 2.79Å
24	I	49.8	Very low	53.2	Low	43 Å²	43	75.5 Å²	75.5	22%	0.221	40%	0.396	C	S	.	.	H	α-helix	trans	-68.9	-53.3	172.1	-66.5	-177	0	0	0	109.2	Y20 V21 G26 K27 T28	Y20-I24 HydrophobicContact CD1-CD1 3.64Å; Y20-I24 HydrophobicContact CD1-CG1 4.23Å; Y20-I24 HydrophobicContact CE1-CD1 3.01Å; Y20-I24 HydrophobicContact CE1-CG1 3.95Å; Y20-I24 HydrophobicContact CE2-CD1 4.3Å; Y20-I24 WeakPolarHBondContact O-CG1 3.29Å; Y20-I24 PolarHBondContact O-N 3.04Å; V21-I24 PolarHBondContact O-N 3.45Å; I24-G26 VanDerWaalsContact C-N 3.3Å; I24-G26 PolarHBondContact O-N 3.46Å; I24-K27 CarbonylContact O-C 3.5Å; I24-K27 VanDerWaalsContact O-C 3.29Å; I24-K27 VanDerWaalsContact O-CA 3.3Å; I24-K27 WeakPolarHBondContact O-CA 2.98Å; I24-K27 WeakPolarHBondContact O-CB 3.45Å; I24-K27 PolarHBondContact O-N 2.85Å; I24-T28 VanDerWaalsContact C-OG1 3.28Å; I24-T28 HydrophobicContact CG2-CG2 3.63Å; I24-T28 PolarHBondContact O-N 2.86Å; I24-T28 PolarHBondContact O-OG1 3.27Å
25	S	50.2	Low	52.2	Low	50 Å²	50	76.1 Å²	76.1	35%	0.35	40%	0.398	S	S	.	.	H	α-helix	trans	-52.8	-44.2	-177.9	73.8	0	0	0	0	112.7	V21 R22 K27 T28 S29	V21-S25 VanDerWaalsContact O-CB 3.23Å; V21-S25 WeakPolarHBondContact O-CB 3.41Å; V21-S25 PolarHBondContact O-N 3.48Å; V21-S25 PolarHBondContact O-OG 3.23Å; R22-S25 WeakPolarHBondContact CA-OG 3.27Å; R22-S25 PolarHBondContact O-OG 3.36Å; R22-S25 VanDerWaalsContact O-OG 3.1Å; S25-K27 PolarHBondContact O-N 3.07Å; S25-T28 WeakPolarHBondContact CA-OG1 3.42Å; S25-T28 PolarHBondContact N-OG1 2.96Å; S25-T28 PolarHBondContact O-N 3.42Å; S25-T28 PolarHBondContact O-OG1 3.43Å; S25-S29 PolarHBondContact O-N 3.37Å
26	G	48.4	Very low	51.2	Low	52 Å²	52	78 Å²	78	54%	0.536	40%	0.399	S	S	.	.	H	α-helix	trans	-65.3	-36.1	174.1	0	0	0	0	0	113.2	R22 I24 S29	R22-G26 PolarHBondContact O-N 3.35Å; I24-G26 VanDerWaalsContact C-N 3.3Å; I24-G26 PolarHBondContact O-N 3.46Å; G26-S29 PolarHBondContact O-OG 3.2Å
27	K	48.2	Very low	50.7	Low	133 Å²	133	78.9 Å²	78.9	58%	0.578	41%	0.409	S	S	*	.	H	α-helix	trans	-80.3	-25.4	173.4	-71.5	179.6	-179.5	-177.6	0	113	Q23 I24 S25 S29 V30 K31	Q23-K27 WeakPolarHBondContact O-CB 3.38Å; Q23-K27 VanDerWaalsContact O-CG 3.26Å; Q23-K27 WeakPolarHBondContact O-CG 3.44Å; Q23-K27 PolarHBondContact O-N 2.79Å; I24-K27 CarbonylContact O-C 3.5Å; I24-K27 VanDerWaalsContact O-C 3.29Å; I24-K27 VanDerWaalsContact O-CA 3.3Å; I24-K27 WeakPolarHBondContact O-CA 2.98Å; I24-K27 WeakPolarHBondContact O-CB 3.45Å; I24-K27 PolarHBondContact O-N 2.85Å; S25-K27 PolarHBondContact O-N 3.07Å; K27-S29 VanDerWaalsContact C-N 3.35Å; K27-V30 PolarHBondContact O-N 3.46Å; K27-K31 HydrophobicContact CB-CD 4.48Å; K27-K31 WeakPolarHBondContact O-CB 3.23Å; K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 2.86Å
28	T	47.2	Very low	50.1	Low	11 Å²	11	84 Å²	84	7%	0.067	44%	0.435	C	S	.	.	H	α-helix	trans	-78	-17.4	-176.4	26.6	0	0	0	0	111.8	I24 S25 V30 C32	I24-T28 VanDerWaalsContact C-OG1 3.28Å; I24-T28 HydrophobicContact CG2-CG2 3.63Å; I24-T28 PolarHBondContact O-N 2.86Å; I24-T28 PolarHBondContact O-OG1 3.27Å; S25-T28 WeakPolarHBondContact CA-OG1 3.42Å; S25-T28 PolarHBondContact N-OG1 2.96Å; S25-T28 PolarHBondContact O-N 3.42Å; S25-T28 PolarHBondContact O-OG1 3.43Å; T28-V30 VanDerWaalsContact C-N 3.26Å; T28-V30 PolarHBondContact O-N 3.12Å; T28-C32 VanDerWaalsContact CB-SG 3.55Å; T28-C32 VanDerWaalsContact O-CA 3.3Å; T28-C32 WeakPolarHBondContact O-CA 3.09Å; T28-C32 WeakPolarHBondContact O-CB 3.22Å; T28-C32 PolarHBondContact O-N 3.19Å; T28-C32 PolarHBondContact O-SG 3Å
29	S	46.9	Very low	49.8	Very low	80 Å²	80	87.9 Å²	87.9	56%	0.559	45%	0.454	S	S	*	.	H	α-helix	trans	-60.9	-39.1	166.9	68	0	0	0	0	112.1	S25 G26 K27	S25-S29 PolarHBondContact O-N 3.37Å; G26-S29 PolarHBondContact O-OG 3.2Å; K27-S29 VanDerWaalsContact C-N 3.35Å
30	V	43.4	Very low	49.4	Very low	107 Å²	107	88.4 Å²	88.4	65%	0.648	46%	0.457	S	S	*	.	H	α-helix	trans	-85.8	-43.8	177.9	-179.9	0	0	0	0	111.3	K27 T28 K33 A34	K27-V30 PolarHBondContact O-N 3.46Å; T28-V30 VanDerWaalsContact C-N 3.26Å; T28-V30 PolarHBondContact O-N 3.12Å; V30-K33 PolarHBondContact O-N 3.42Å; V30-A34 PolarHBondContact O-N 3.18Å
31	K	42.7	Very low	49.3	Very low	123 Å²	123	92.2 Å²	92.2	54%	0.535	48%	0.477	S	S	.	.	H	α-helix	trans	-68.6	-44.5	177.5	-70.1	-171.1	174.3	-165.7	0	111.5	K27 K33 A34 L35	K27-K31 HydrophobicContact CB-CD 4.48Å; K27-K31 WeakPolarHBondContact O-CB 3.23Å; K27-K31 WeakPolarHBondContact O-CG 3.43Å; K27-K31 PolarHBondContact O-N 2.86Å; K31-K33 PolarHBondContact O-N 3.24Å; K31-A34 CarbonylContact O-C 3.29Å; K31-A34 PolarHBondContact O-N 2.7Å; K31-A34 VanDerWaalsContact O-N 3.16Å; K31-L35 VanDerWaalsContact C-CD1 3.49Å; K31-L35 HydrophobicContact CB-CD1 3.8Å; K31-L35 HydrophobicContact CB-CG 4.47Å; K31-L35 WeakPolarHBondContact O-CA 3.5Å; K31-L35 WeakPolarHBondContact O-CB 3.35Å; K31-L35 WeakPolarHBondContact O-CD1 3.27Å; K31-L35 WeakPolarHBondContact O-CG 3.12Å; K31-L35 PolarHBondContact O-N 2.8Å
32	C	42	Very low	49.4	Very low	29 Å²	29	94.2 Å²	94.2	20%	0.196	49%	0.492	C	S	.	.	H	α-helix	trans	-61	-31.2	176.6	-71.4	0	0	0	0	112.7	T28 K36	T28-C32 VanDerWaalsContact CB-SG 3.55Å; T28-C32 VanDerWaalsContact O-CA 3.3Å; T28-C32 WeakPolarHBondContact O-CA 3.09Å; T28-C32 WeakPolarHBondContact O-CB 3.22Å; T28-C32 PolarHBondContact O-N 3.19Å; T28-C32 PolarHBondContact O-SG 3Å; C32-K36 WeakPolarHBondContact O-CG 3.47Å; C32-K36 PolarHBondContact O-N 2.94Å
33	K	48.3	Very low	49.1	Very low	165 Å²	165	88.1 Å²	88.1	72%	0.717	47%	0.47	S	S	*	.	H	α-helix	trans	-67.1	-49	172	-92.5	-173	173.7	-176.4	0	112.1	V30 K31 L35 K36	V30-K33 PolarHBondContact O-N 3.42Å; K31-K33 PolarHBondContact O-N 3.24Å; K33-L35 VanDerWaalsContact C-N 3.25Å; K33-L35 PolarHBondContact O-N 3.09Å; K33-K36 PolarHBondContact O-N 2.72Å
34	A	42.3	Very low	49.1	Very low	51 Å²	51	85.7 Å²	85.7	42%	0.421	46%	0.463	S	S	.	.	H	α-helix	trans	-67.7	-25.2	174.9	0	0	0	0	0	113.3	V30 K31 E37	V30-A34 PolarHBondContact O-N 3.18Å; K31-A34 CarbonylContact O-C 3.29Å; K31-A34 PolarHBondContact O-N 2.7Å; K31-A34 VanDerWaalsContact O-N 3.16Å; A34-E37 PolarHBondContact O-N 2.79Å
35	L	42.3	Very low	49.3	Very low	34 Å²	34	89.7 Å²	89.7	18%	0.178	48%	0.481	C	S	.	.	H	α-helix	trans	-85.7	-18.9	-178.5	-71.1	163.3	0	0	0	112.9	K31 K33 E37 L38 Y43	K31-L35 VanDerWaalsContact C-CD1 3.49Å; K31-L35 HydrophobicContact CB-CD1 3.8Å; K31-L35 HydrophobicContact CB-CG 4.47Å; K31-L35 WeakPolarHBondContact O-CA 3.5Å; K31-L35 WeakPolarHBondContact O-CB 3.35Å; K31-L35 WeakPolarHBondContact O-CD1 3.27Å; K31-L35 WeakPolarHBondContact O-CG 3.12Å; K31-L35 PolarHBondContact O-N 2.8Å; K33-L35 VanDerWaalsContact C-N 3.25Å; K33-L35 PolarHBondContact O-N 3.09Å; L35-E37 PolarHBondContact O-N 2.96Å; L35-L38 HydrophobicContact CD2-CD1 4.31Å; L35-L38 PolarHBondContact O-N 3.29Å; L35-L38 VanDerWaalsContact O-O 3.09Å; L35-Y43 HydrophobicContact CD1-CD2 4.4Å; L35-Y43 HydrophobicContact CD1-CE1 4.04Å; L35-Y43 HydrophobicContact CD1-CE2 3.72Å; L35-Y43 HydrophobicContact CD2-CD2 3.98Å; L35-Y43 HydrophobicContact CD2-CE2 4.06Å; L35-Y43 HydrophobicContact CD2-CG 4.41Å
36	K	46.7	Very low	49.7	Very low	125 Å²	125	92.3 Å²	92.3	54%	0.543	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.6	166.3	-85.7	-172.3	172.1	-162	0	112.6	C32 K33	C32-K36 WeakPolarHBondContact O-CG 3.47Å; C32-K36 PolarHBondContact O-N 2.94Å; K33-K36 PolarHBondContact O-N 2.72Å
37	E	51.4	Low	50.2	Low	172 Å²	172	91.4 Å²	91.4	80%	0.804	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.9	179.8	-60.8	177.9	172.8	0	0	112.6	A34 L35	A34-E37 PolarHBondContact O-N 2.79Å; L35-E37 PolarHBondContact O-N 2.96Å
38	L	47.7	Very low	50.5	Low	114 Å²	114	87.7 Å²	87.7	60%	0.597	46%	0.461	S	S	*	.	S	Bend	trans	-114.3	139	179	-74.8	162.3	0	0	0	109.9	L35 T40	L35-L38 HydrophobicContact CD2-CD1 4.31Å; L35-L38 PolarHBondContact O-N 3.29Å; L35-L38 VanDerWaalsContact O-O 3.09Å; L38-T40 PolarHBondContact O-N 3.35Å; L38-T40 VanDerWaalsContact O-N 3.11Å
39	D	55.5	Low	50.8	Low	122 Å²	122	91.5 Å²	91.5	65%	0.652	48%	0.483	S	S	*	.			trans	-38.5	111	-177.5	-162.8	-5.3	0	0	0	113.4	E41	D39-E41 VanDerWaalsContact C-N 3.27Å; D39-E41 PolarHBondContact O-N 2.84Å
40	T	55	Low	51.5	Low	73 Å²	73	92 Å²	92	45%	0.448	48%	0.477	S	S	.	.	H	α-helix	trans	-66.3	-25.5	-166.3	33.6	0	0	0	0	113.6	L38 Y43 V44	L38-T40 PolarHBondContact O-N 3.35Å; L38-T40 VanDerWaalsContact O-N 3.11Å; T40-Y43 PolarHBondContact O-N 3.42Å; T40-V44 VanDerWaalsContact O-CG2 3.29Å; T40-V44 WeakPolarHBondContact O-CG2 3.25Å; T40-V44 PolarHBondContact O-N 3.46Å
41	E	55.1	Low	52.2	Low	143 Å²	143	88.9 Å²	88.9	67%	0.668	46%	0.456	S	S	*	.	H	α-helix	trans	-68.6	-50	-174	-69	-175.8	173.2	0	0	112	D39 Y43 V44 E45	D39-E41 VanDerWaalsContact C-N 3.27Å; D39-E41 PolarHBondContact O-N 2.84Å; E41-Y43 PolarHBondContact O-N 3.48Å; E41-V44 PolarHBondContact O-N 3.19Å; E41-E45 WeakPolarHBondContact O-CG 3.34Å; E41-E45 PolarHBondContact O-N 2.86Å
42	S	57.8	Low	52.8	Low	59 Å²	59	89.7 Å²	89.7	41%	0.413	46%	0.457	S	S	.	.	H	α-helix	trans	-61.6	-32.2	179	-172.8	0	0	0	0	112.3	Q46	S42-Q46 WeakPolarHBondContact O-CB 3.27Å; S42-Q46 VanDerWaalsContact O-CG 3.23Å; S42-Q46 WeakPolarHBondContact O-CG 3.36Å; S42-Q46 PolarHBondContact O-N 3.43Å; S42-Q46 PolarHBondContact OG-NE2 3.04Å
43	Y	54	Low	53.5	Low	49 Å²	49	94.1 Å²	94.1	19%	0.192	48%	0.476	C	S	.	.	H	α-helix	trans	-77	-42.4	180	-173.8	-111.7	0	0	0	112.7	L35 T40 E41 E45 Q46 I47	L35-Y43 HydrophobicContact CD1-CD2 4.4Å; L35-Y43 HydrophobicContact CD1-CE1 4.04Å; L35-Y43 HydrophobicContact CD1-CE2 3.72Å; L35-Y43 HydrophobicContact CD2-CD2 3.98Å; L35-Y43 HydrophobicContact CD2-CE2 4.06Å; L35-Y43 HydrophobicContact CD2-CG 4.41Å; T40-Y43 PolarHBondContact O-N 3.42Å; E41-Y43 PolarHBondContact O-N 3.48Å; Y43-E45 VanDerWaalsContact C-N 3.26Å; Y43-E45 PolarHBondContact O-N 2.9Å; Y43-Q46 PolarHBondContact O-N 2.86Å; Y43-I47 HydrophobicContact CD1-CD1 3.79Å; Y43-I47 HydrophobicContact CD1-CG1 4.44Å; Y43-I47 HydrophobicContact CE1-CD1 3.17Å; Y43-I47 HydrophobicContact CE1-CG1 4.04Å; Y43-I47 HydrophobicContact CE2-CD1 4.24Å; Y43-I47 HydrophobicContact CE2-CG1 4.28Å; Y43-I47 VanDerWaalsContact CZ-CD1 3.43Å; Y43-I47 WeakPolarHBondContact O-CB 3.31Å; Y43-I47 WeakPolarHBondContact O-CG1 3.48Å; Y43-I47 PolarHBondContact O-N 3.04Å
44	V	55.2	Low	53.9	Low	65 Å²	65	89.2 Å²	89.2	39%	0.394	45%	0.453	S	S	.	.	H	α-helix	trans	-61.8	-38.3	173.3	172	0	0	0	0	110.3	T40 E41 S48 L83	T40-V44 VanDerWaalsContact O-CG2 3.29Å; T40-V44 WeakPolarHBondContact O-CG2 3.25Å; T40-V44 PolarHBondContact O-N 3.46Å; E41-V44 PolarHBondContact O-N 3.19Å; V44-S48 VanDerWaalsContact O-CB 3.22Å; V44-S48 WeakPolarHBondContact O-CB 3.19Å; V44-S48 PolarHBondContact O-N 2.99Å; V44-S48 PolarHBondContact O-OG 3.36Å; V44-L83 HydrophobicContact CG2-CD1 4.34Å
45	E	54.7	Low	54.7	Low	127 Å²	127	90.5 Å²	90.5	59%	0.593	45%	0.451	S	S	*	.	H	α-helix	trans	-64.1	-47.5	172.9	-74.1	-178.9	165.8	0	0	112.4	E41 Y43 I47 S48 V49	E41-E45 WeakPolarHBondContact O-CG 3.34Å; E41-E45 PolarHBondContact O-N 2.86Å; Y43-E45 VanDerWaalsContact C-N 3.26Å; Y43-E45 PolarHBondContact O-N 2.9Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.17Å; E45-S48 CarbonylContact O-C 3.55Å; E45-S48 WeakPolarHBondContact O-CA 3.46Å; E45-S48 WeakPolarHBondContact O-CB 3.27Å; E45-S48 PolarHBondContact O-N 3.39Å; E45-S48 VanDerWaalsContact O-N 3.09Å; E45-V49 WeakPolarHBondContact O-CG2 3.39Å; E45-V49 PolarHBondContact O-N 2.96Å
46	Q	57.8	Low	55.3	Low	104 Å²	104	91.8 Å²	91.8	49%	0.486	46%	0.456	S	S	.	.	H	α-helix	trans	-60.9	-42.7	177.3	-78.1	175.4	46.8	0	0	112	S42 Y43 Q50	S42-Q46 WeakPolarHBondContact O-CB 3.27Å; S42-Q46 VanDerWaalsContact O-CG 3.23Å; S42-Q46 WeakPolarHBondContact O-CG 3.36Å; S42-Q46 PolarHBondContact O-N 3.43Å; S42-Q46 PolarHBondContact OG-NE2 3.04Å; Y43-Q46 PolarHBondContact O-N 2.86Å; Q46-Q50 WeakPolarHBondContact O-CB 3.3Å; Q46-Q50 VanDerWaalsContact O-CG 3.27Å; Q46-Q50 WeakPolarHBondContact O-CG 3.39Å; Q46-Q50 PolarHBondContact O-N 3.23Å
47	I	60.8	Low	55.9	Low	33 Å²	33	88.5 Å²	88.5	17%	0.169	45%	0.452	C	S	.	.	H	α-helix	trans	-58.9	-52.1	171.4	-76.3	-178.8	0	0	0	108.8	Y43 E45 V49 Q50 I51 C81	Y43-I47 HydrophobicContact CD1-CD1 3.79Å; Y43-I47 HydrophobicContact CD1-CG1 4.44Å; Y43-I47 HydrophobicContact CE1-CD1 3.17Å; Y43-I47 HydrophobicContact CE1-CG1 4.04Å; Y43-I47 HydrophobicContact CE2-CD1 4.24Å; Y43-I47 HydrophobicContact CE2-CG1 4.28Å; Y43-I47 VanDerWaalsContact CZ-CD1 3.43Å; Y43-I47 WeakPolarHBondContact O-CB 3.31Å; Y43-I47 WeakPolarHBondContact O-CG1 3.48Å; Y43-I47 PolarHBondContact O-N 3.04Å; E45-I47 VanDerWaalsContact C-N 3.33Å; E45-I47 PolarHBondContact O-N 3.17Å; I47-V49 VanDerWaalsContact C-N 3.33Å; I47-V49 PolarHBondContact O-N 2.95Å; I47-Q50 CarbonylContact O-C 3.57Å; I47-Q50 PolarHBondContact O-N 3.27Å; I47-Q50 VanDerWaalsContact O-N 3.09Å; I47-I51 HydrophobicContact CG2-CD1 3.38Å; I47-I51 HydrophobicContact CG2-CG1 3.87Å; I47-I51 VanDerWaalsContact O-CB 3.31Å; I47-I51 WeakPolarHBondContact O-CB 3.34Å; I47-I51 WeakPolarHBondContact O-CG1 3.42Å; I47-I51 PolarHBondContact O-N 2.83Å; I47-C81 HydrophobicContact CD1-CB 4.31Å
48	S	54.3	Low	56.3	Low	56 Å²	56	81 Å²	81	39%	0.392	42%	0.419	S	S	.	.	H	α-helix	trans	-58.7	-38.6	-178.6	-62.2	0	0	0	0	113.6	V44 E45 I51 Y52	V44-S48 VanDerWaalsContact O-CB 3.22Å; V44-S48 WeakPolarHBondContact O-CB 3.19Å; V44-S48 PolarHBondContact O-N 2.99Å; V44-S48 PolarHBondContact O-OG 3.36Å; E45-S48 CarbonylContact O-C 3.55Å; E45-S48 WeakPolarHBondContact O-CA 3.46Å; E45-S48 WeakPolarHBondContact O-CB 3.27Å; E45-S48 PolarHBondContact O-N 3.39Å; E45-S48 VanDerWaalsContact O-N 3.09Å; S48-I51 WeakPolarHBondContact O-CB 3.31Å; S48-I51 PolarHBondContact O-N 3.39Å; S48-Y52 VanDerWaalsContact O-CB 3.3Å; S48-Y52 WeakPolarHBondContact O-CB 3.44Å; S48-Y52 PolarHBondContact O-N 3.09Å
49	V	53.5	Low	56.9	Low	90 Å²	90	83.7 Å²	83.7	55%	0.545	42%	0.421	S	S	.	.	H	α-helix	trans	-68.4	-45.4	174.3	172.2	0	0	0	0	110.6	E45 I47 I51 Y52 M53	E45-V49 WeakPolarHBondContact O-CG2 3.39Å; E45-V49 PolarHBondContact O-N 2.96Å; I47-V49 VanDerWaalsContact C-N 3.33Å; I47-V49 PolarHBondContact O-N 2.95Å; V49-I51 VanDerWaalsContact C-N 3.26Å; V49-I51 PolarHBondContact O-N 3.44Å; V49-Y52 PolarHBondContact O-N 2.87Å; V49-M53 HydrophobicContact CG1-CG 4.28Å; V49-M53 WeakPolarHBondContact O-CB 3.33Å; V49-M53 VanDerWaalsContact O-CG 3.25Å; V49-M53 WeakPolarHBondContact O-CG 3.4Å; V49-M53 PolarHBondContact O-N 2.8Å
50	Q	60.1	Low	57.3	Low	90 Å²	90	81.6 Å²	81.6	42%	0.421	42%	0.42	S	S	.	.	H	α-helix	trans	-62.8	-37.3	175.8	-72.2	-178.9	31	0	0	111.7	Q46 I47 R54	Q46-Q50 WeakPolarHBondContact O-CB 3.3Å; Q46-Q50 VanDerWaalsContact O-CG 3.27Å; Q46-Q50 WeakPolarHBondContact O-CG 3.39Å; Q46-Q50 PolarHBondContact O-N 3.23Å; I47-Q50 CarbonylContact O-C 3.57Å; I47-Q50 PolarHBondContact O-N 3.27Å; I47-Q50 VanDerWaalsContact O-N 3.09Å; Q50-R54 VanDerWaalsContact O-CB 3.3Å; Q50-R54 WeakPolarHBondContact O-CB 3.3Å; Q50-R54 WeakPolarHBondContact O-CG 3.36Å; Q50-R54 PolarHBondContact O-N 3.21Å; Q50-R54 VanDerWaalsContact O-N 3.08Å
51	I	58.7	Low	57.7	Low	43 Å²	43	79.5 Å²	79.5	22%	0.221	41%	0.406	C	S	.	.	H	α-helix	trans	-58.5	-53.5	172.2	-72.6	175.1	0	0	0	109.8	I47 S48 V49 R54 H55 F74 V78	I47-I51 HydrophobicContact CG2-CD1 3.38Å; I47-I51 HydrophobicContact CG2-CG1 3.87Å; I47-I51 VanDerWaalsContact O-CB 3.31Å; I47-I51 WeakPolarHBondContact O-CB 3.34Å; I47-I51 WeakPolarHBondContact O-CG1 3.42Å; I47-I51 PolarHBondContact O-N 2.83Å; S48-I51 WeakPolarHBondContact O-CB 3.31Å; S48-I51 PolarHBondContact O-N 3.39Å; V49-I51 VanDerWaalsContact C-N 3.26Å; V49-I51 PolarHBondContact O-N 3.44Å; I51-R54 PolarHBondContact O-N 2.74Å; I51-H55 WeakPolarHBondContact O-CB 3.25Å; I51-H55 PolarHBondContact O-N 3.08Å; I51-F74 HydrophobicContact CB-CE2 3.48Å; I51-F74 VanDerWaalsContact CB-CE2 3.48Å; I51-F74 HydrophobicContact CB-CZ 3.47Å; I51-F74 VanDerWaalsContact CB-CZ 3.47Å; I51-F74 HydrophobicContact CD1-CE2 4.22Å; I51-F74 HydrophobicContact CD1-CZ 3.69Å; I51-F74 HydrophobicContact CG1-CE2 3.31Å; I51-F74 HydrophobicContact CG1-CZ 3.27Å; I51-F74 HydrophobicContact CG2-CE1 4.06Å; I51-F74 HydrophobicContact CG2-CE2 3.51Å; I51-F74 HydrophobicContact CG2-CZ 3.06Å; I51-V78 HydrophobicContact CD1-CG2 3.64Å; I51-V78 HydrophobicContact CG1-CG2 4.21Å
52	Y	56.2	Low	58.4	Low	139 Å²	139	80 Å²	80	55%	0.545	41%	0.413	S	S	.	.	H	α-helix	trans	-63.4	-47.8	-176.1	-179.2	-97.4	0	0	0	111.6	S48 V49 R54 H55 M56	S48-Y52 VanDerWaalsContact O-CB 3.3Å; S48-Y52 WeakPolarHBondContact O-CB 3.44Å; S48-Y52 PolarHBondContact O-N 3.09Å; V49-Y52 PolarHBondContact O-N 2.87Å; Y52-R54 VanDerWaalsContact C-N 3.26Å; Y52-R54 PolarHBondContact O-N 3.3Å; Y52-H55 WeakPolarHBondContact O-CB 3.35Å; Y52-H55 PolarHBondContact O-N 3.16Å; Y52-H55 VanDerWaalsContact O-N 3.14Å; Y52-M56 HydrophobicContact CD1-CG 4.22Å; Y52-M56 HydrophobicContact CE1-CG 3.82Å; Y52-M56 HydrophobicContact CE1-SD 4.48Å; Y52-M56 HydrophobicContact CE2-CE 3.96Å; Y52-M56 WeakPolarHBondContact O-CG 3.43Å; Y52-M56 PolarHBondContact O-N 3.46Å
53	M	55.2	Low	58.9	Low	123 Å²	123	77.8 Å²	77.8	61%	0.606	40%	0.396	S	S	*	.	H	α-helix	trans	-59.4	-39.2	177.7	-70.2	-63	-72.7	0	0	111.6	V49 A57	V49-M53 HydrophobicContact CG1-CG 4.28Å; V49-M53 WeakPolarHBondContact O-CB 3.33Å; V49-M53 VanDerWaalsContact O-CG 3.25Å; V49-M53 WeakPolarHBondContact O-CG 3.4Å; V49-M53 PolarHBondContact O-N 2.8Å; M53-A57 PolarHBondContact O-N 3.22Å; M53-A57 VanDerWaalsContact O-N 3.09Å
54	R	58.4	Low	59.7	Low	62 Å²	62	80.8 Å²	80.8	23%	0.234	41%	0.412	C	S	.	.	H	α-helix	trans	-73.2	-38.1	176.4	-72.7	176.5	178.7	-126.5	-7.5	112.1	Q50 I51 Y52 M56 A57 V58	Q50-R54 VanDerWaalsContact O-CB 3.3Å; Q50-R54 WeakPolarHBondContact O-CB 3.3Å; Q50-R54 WeakPolarHBondContact O-CG 3.36Å; Q50-R54 PolarHBondContact O-N 3.21Å; Q50-R54 VanDerWaalsContact O-N 3.08Å; I51-R54 PolarHBondContact O-N 2.74Å; Y52-R54 VanDerWaalsContact C-N 3.26Å; Y52-R54 PolarHBondContact O-N 3.3Å; R54-M56 VanDerWaalsContact C-N 3.32Å; R54-M56 PolarHBondContact O-N 2.79Å; R54-A57 WeakPolarHBondContact O-CB 3.29Å; R54-A57 PolarHBondContact O-N 3.08Å; R54-V58 VanDerWaalsContact O-CG2 3.3Å; R54-V58 WeakPolarHBondContact O-CG2 3.49Å; R54-V58 PolarHBondContact O-N 3.41Å
55	H	57.4	Low	60.2	Low	78 Å²	78	81 Å²	81	36%	0.361	42%	0.417	S	S	.	.	H	α-helix	trans	-60.6	-42.7	173.4	-180	69.9	0	0	0	111.2	I51 Y52 A57 V58 R59	I51-H55 WeakPolarHBondContact O-CB 3.25Å; I51-H55 PolarHBondContact O-N 3.08Å; Y52-H55 WeakPolarHBondContact O-CB 3.35Å; Y52-H55 PolarHBondContact O-N 3.16Å; Y52-H55 VanDerWaalsContact O-N 3.14Å; H55-A57 VanDerWaalsContact C-N 3.34Å; H55-A57 PolarHBondContact O-N 2.88Å; H55-V58 WeakPolarHBondContact O-CB 3.3Å; H55-V58 PolarHBondContact O-N 3.35Å; H55-V58 VanDerWaalsContact O-N 3.12Å; H55-R59 WeakPolarHBondContact O-CG 3.48Å; H55-R59 PolarHBondContact O-N 2.95Å
56	M	56	Low	60.8	Low	61 Å²	61	75 Å²	75	30%	0.3	39%	0.389	S	S	.	.	H	α-helix	trans	-59.3	-44.1	172.5	-70	-61.1	105.4	0	0	111.8	Y52 R54 V58 R59 A60	Y52-M56 HydrophobicContact CD1-CG 4.22Å; Y52-M56 HydrophobicContact CE1-CG 3.82Å; Y52-M56 HydrophobicContact CE1-SD 4.48Å; Y52-M56 HydrophobicContact CE2-CE 3.96Å; Y52-M56 WeakPolarHBondContact O-CG 3.43Å; Y52-M56 PolarHBondContact O-N 3.46Å; R54-M56 VanDerWaalsContact C-N 3.32Å; R54-M56 PolarHBondContact O-N 2.79Å; M56-V58 VanDerWaalsContact C-N 3.27Å; M56-V58 PolarHBondContact O-N 2.86Å; M56-R59 PolarHBondContact O-N 3.17Å; M56-A60 PolarHBondContact O-N 2.79Å
57	A	58.9	Low	61.1	Low	55 Å²	55	72.8 Å²	72.8	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-63.2	-32.6	175.2	0	0	0	0	0	112.9	M53 R54 H55	M53-A57 PolarHBondContact O-N 3.22Å; M53-A57 VanDerWaalsContact O-N 3.09Å; R54-A57 WeakPolarHBondContact O-CB 3.29Å; R54-A57 PolarHBondContact O-N 3.08Å; H55-A57 VanDerWaalsContact C-N 3.34Å; H55-A57 PolarHBondContact O-N 2.88Å
58	V	59.7	Low	61.4	Low	16 Å²	16	75.6 Å²	75.6	10%	0.097	39%	0.392	C	S	.	.	H	α-helix	trans	-71.9	-40.9	175.2	174.1	0	0	0	0	111.6	R54 H55 M56 A60 L61 K67 R70	R54-V58 VanDerWaalsContact O-CG2 3.3Å; R54-V58 WeakPolarHBondContact O-CG2 3.49Å; R54-V58 PolarHBondContact O-N 3.41Å; H55-V58 WeakPolarHBondContact O-CB 3.3Å; H55-V58 PolarHBondContact O-N 3.35Å; H55-V58 VanDerWaalsContact O-N 3.12Å; M56-V58 VanDerWaalsContact C-N 3.27Å; M56-V58 PolarHBondContact O-N 2.86Å; V58-A60 PolarHBondContact O-N 3.45Å; V58-L61 WeakPolarHBondContact O-CB 3.46Å; V58-L61 WeakPolarHBondContact O-CG 3.24Å; V58-L61 PolarHBondContact O-N 3.44Å; V58-K67 HydrophobicContact CG1-CB 3.98Å; V58-K67 HydrophobicContact CG1-CG 4.16Å; V58-R70 HydrophobicContact CB-CB 4.44Å; V58-R70 HydrophobicContact CG1-CB 4.04Å; V58-R70 HydrophobicContact CG2-CB 3.45Å; V58-R70 VanDerWaalsContact CG2-CB 3.45Å; V58-R70 HydrophobicContact CG2-CG 3.97Å
59	R	60	Low	62	Low	170 Å²	170	77.8 Å²	77.8	64%	0.642	39%	0.394	S	S	*	.	H	α-helix	trans	-61.4	-29.9	177.2	-73.3	-172.2	71.9	-165.9	2.6	112.8	H55 M56 L61	H55-R59 WeakPolarHBondContact O-CG 3.48Å; H55-R59 PolarHBondContact O-N 2.95Å; M56-R59 PolarHBondContact O-N 3.17Å; R59-L61 PolarHBondContact O-N 3.26Å
60	A	64.9	Low	62.5	Low	77 Å²	77	74.5 Å²	74.5	64%	0.636	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-5.8	176.2	0	0	0	0	0	114	M56 V58	M56-A60 PolarHBondContact O-N 2.79Å; V58-A60 PolarHBondContact O-N 3.45Å
61	L	63.8	Low	62.8	Low	30 Å²	30	74 Å²	74	16%	0.157	37%	0.372	C	S	.	.			trans	-82.1	123.5	176.3	-57.7	175.2	0	0	0	110	L13 V58 R59 I63 C66 K67 R70	L13-L61 HydrophobicContact CD1-CD1 4.45Å; L13-L61 HydrophobicContact CD1-CD2 3.49Å; L13-L61 VanDerWaalsContact CD1-CD2 3.49Å; V58-L61 WeakPolarHBondContact O-CB 3.46Å; V58-L61 WeakPolarHBondContact O-CG 3.24Å; V58-L61 PolarHBondContact O-N 3.44Å; R59-L61 PolarHBondContact O-N 3.26Å; L61-I63 PolarHBondContact O-N 3.33Å; L61-C66 HydrophobicContact CD1-CB 4.08Å; L61-K67 HydrophobicContact CB-CG 4.42Å; L61-K67 WeakPolarHBondContact O-CE 3.2Å; L61-R70 HydrophobicContact CD1-CG 4.42Å
62	D	68.4	Low	63.1	Low	153 Å²	153	76.1 Å²	76.1	82%	0.818	38%	0.384	S	S	*	.	S	Bend	trans	-70	-16.7	176	-65.4	-39.1	0	0	0	113	E64	D62-E64 PolarHBondContact O-N 3.12Å
63	I	69.4	Low	63.5	Low	12 Å²	12	70.7 Å²	70.7	6%	0.062	36%	0.364	C	S	.	.			trans	-89	107.3	-176.6	-51.9	-169.5	0	0	0	111	M2 T6 C10 L61 S65 C66 K67	M2-I63 HydrophobicContact CE-CB 3.99Å; M2-I63 HydrophobicContact CE-CD1 3.21Å; M2-I63 HydrophobicContact CE-CG1 3.28Å; M2-I63 HydrophobicContact CE-CG2 3.72Å; T6-I63 VanDerWaalsContact C-CD1 3.46Å; T6-I63 HydrophobicContact CG2-CD1 3.43Å; T6-I63 VanDerWaalsContact CG2-CD1 3.43Å; T6-I63 HydrophobicContact CG2-CG1 3.64Å; T6-I63 WeakPolarHBondContact O-CD1 2.89Å; C10-I63 HydrophobicContact CB-CD1 4Å; L61-I63 PolarHBondContact O-N 3.33Å; I63-S65 VanDerWaalsContact C-N 3.34Å; I63-S65 VanDerWaalsContact CG2-OG 3.23Å; I63-S65 WeakPolarHBondContact CG2-OG 3.44Å; I63-S65 PolarHBondContact O-N 2.7Å; I63-C66 HydrophobicContact CB-CB 3.78Å; I63-C66 HydrophobicContact CG2-CB 3.89Å; I63-C66 WeakPolarHBondContact O-CA 3.01Å; I63-C66 WeakPolarHBondContact O-CB 3.44Å; I63-C66 PolarHBondContact O-N 2.03Å; I63-K67 PolarHBondContact O-N 3.12Å; I63-K67 VanDerWaalsContact O-N 3.1Å
64	E	71.1	Confident	64	Low	113 Å²	113	66.9 Å²	66.9	53%	0.528	34%	0.344	S	S	.	.	H	α-helix	trans	-57.1	-42.1	179.5	-161.9	59.4	-149.3	0	0	113.3	D62 C66 K67 I68	D62-E64 PolarHBondContact O-N 3.12Å; E64-C66 PolarHBondContact O-N 3.36Å; E64-K67 WeakPolarHBondContact O-CB 3.19Å; E64-K67 PolarHBondContact O-N 2.91Å; E64-K67 WeakPolarHBondContact OE2-CD 3.3Å; E64-K67 WeakPolarHBondContact OE2-CE 3.45Å; E64-K67 IonicContact OE2-NZ 2.79Å; E64-K67 PolarHBondContact OE2-NZ 3.09Å; E64-I68 PolarHBondContact O-N 3.46Å; E64-I68 VanDerWaalsContact O-N 3.08Å
65	S	65.6	Low	64.2	Low	70 Å²	70	67.7 Å²	67.7	49%	0.49	35%	0.352	S	S	.	.	H	α-helix	trans	-63.7	-27.7	176.7	65.5	0	0	0	0	112.8	I63 K69	I63-S65 VanDerWaalsContact C-N 3.34Å; I63-S65 VanDerWaalsContact CG2-OG 3.23Å; I63-S65 WeakPolarHBondContact CG2-OG 3.44Å; I63-S65 PolarHBondContact O-N 2.7Å; S65-K69 WeakPolarHBondContact O-CG 3.23Å; S65-K69 PolarHBondContact O-N 2.88Å; S65-K69 VanDerWaalsContact O-N 3.16Å
66	C	65.8	Low	64.6	Low	0 Å²	0	68.4 Å²	68.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-73.9	-38.5	174.3	-146.5	0	0	0	0	111.5	C10 L61 I63 E64 K69 R70	C10-C66 WeakPolarHBondContact CA-SG 3.08Å; C10-C66 HydrophobicContact CB-CB 3.92Å; C10-C66 WeakPolarHBondContact CB-SG 3.27Å; C10-C66 VanDerWaalsContact SG-CA 3.58Å; C10-C66 WeakPolarHBondContact SG-CB 3.46Å; C10-C66 CovalentContact SG-SG 2.03Å; C10-C66 PolarHBondContact SG-SG 3.46Å; L61-C66 HydrophobicContact CD1-CB 4.08Å; I63-C66 HydrophobicContact CB-CB 3.78Å; I63-C66 HydrophobicContact CG2-CB 3.89Å; I63-C66 WeakPolarHBondContact O-CA 3.01Å; I63-C66 WeakPolarHBondContact O-CB 3.44Å; I63-C66 PolarHBondContact O-N 2.03Å; E64-C66 PolarHBondContact O-N 3.36Å; C66-K69 PolarHBondContact O-N 3.5Å; C66-R70 WeakPolarHBondContact O-CB 3.37Å; C66-R70 WeakPolarHBondContact O-CG 3.43Å; C66-R70 PolarHBondContact O-N 3.24Å
67	K	65.4	Low	64.7	Low	58 Å²	58	66.8 Å²	66.8	25%	0.252	35%	0.351	S	S	.	.	H	α-helix	trans	-59	-49.2	174.5	-60.2	-178	-164.1	157.4	0	111.2	V58 L61 I63 E64 R70 L71	V58-K67 HydrophobicContact CG1-CB 3.98Å; V58-K67 HydrophobicContact CG1-CG 4.16Å; L61-K67 HydrophobicContact CB-CG 4.42Å; L61-K67 WeakPolarHBondContact O-CE 3.2Å; I63-K67 PolarHBondContact O-N 3.12Å; I63-K67 VanDerWaalsContact O-N 3.1Å; E64-K67 WeakPolarHBondContact O-CB 3.19Å; E64-K67 PolarHBondContact O-N 2.91Å; E64-K67 WeakPolarHBondContact OE2-CD 3.3Å; E64-K67 WeakPolarHBondContact OE2-CE 3.45Å; E64-K67 IonicContact OE2-NZ 2.79Å; E64-K67 PolarHBondContact OE2-NZ 3.09Å; K67-R70 PolarHBondContact O-N 2.96Å; K67-L71 WeakPolarHBondContact O-CB 3.46Å; K67-L71 PolarHBondContact O-N 3.18Å
68	I	66.9	Low	64.7	Low	91 Å²	91	65.8 Å²	65.8	47%	0.467	34%	0.339	S	S	.	.	H	α-helix	trans	-61.6	-48.7	179.2	-63.5	170.2	0	0	0	110.9	E64 R70 L71 N72	E64-I68 PolarHBondContact O-N 3.46Å; E64-I68 VanDerWaalsContact O-N 3.08Å; I68-R70 VanDerWaalsContact C-N 3.34Å; I68-R70 PolarHBondContact O-N 3.32Å; I68-L71 PolarHBondContact O-N 3.14Å; I68-N72 PolarHBondContact O-N 3.45Å
69	K	67.1	Low	64.7	Low	102 Å²	102	68.4 Å²	68.4	44%	0.443	36%	0.358	S	S	.	.	H	α-helix	trans	-58.6	-44.4	178.3	-76.5	178.1	-178.9	-179.4	0	112.2	V14 S65 C66 N72 I73	V14-K69 HydrophobicContact CG2-CB 4.08Å; V14-K69 HydrophobicContact CG2-CD 4.28Å; S65-K69 WeakPolarHBondContact O-CG 3.23Å; S65-K69 PolarHBondContact O-N 2.88Å; S65-K69 VanDerWaalsContact O-N 3.16Å; C66-K69 PolarHBondContact O-N 3.5Å; K69-N72 PolarHBondContact O-N 3.31Å; K69-I73 WeakPolarHBondContact O-CG1 3.33Å; K69-I73 PolarHBondContact O-N 3.07Å; K69-I73 VanDerWaalsContact O-N 3.12Å
70	R	64.7	Low	64.6	Low	22 Å²	22	65.7 Å²	65.7	8%	0.083	36%	0.357	C	S	.	.	H	α-helix	trans	-67.7	-37.5	178.2	-75.8	-64.3	-157.3	97.2	-11	112.1	L13 V14 S17 V58 L61 C66 K67 I68 F74	L13-R70 VanDerWaalsContact C-NE 3.34Å; L13-R70 VanDerWaalsContact CA-NH2 3.27Å; L13-R70 VanDerWaalsContact CD2-NH2 3.28Å; L13-R70 VanDerWaalsContact O-CZ 3.26Å; L13-R70 PolarHBondContact O-NE 3.16Å; L13-R70 VanDerWaalsContact O-NE 3.12Å; L13-R70 PolarHBondContact O-NH2 3.41Å; V14-R70 HydrophobicContact CG2-CG 4.45Å; S17-R70 PolarHBondContact OG-NE 2.95Å; S17-R70 VanDerWaalsContact OG-NE 3.17Å; S17-R70 PolarHBondContact OG-NH1 3.11Å; S17-R70 PolarHBondContact OG-NH2 3.27Å; V58-R70 HydrophobicContact CB-CB 4.44Å; V58-R70 HydrophobicContact CG1-CB 4.04Å; V58-R70 HydrophobicContact CG2-CB 3.45Å; V58-R70 VanDerWaalsContact CG2-CB 3.45Å; V58-R70 HydrophobicContact CG2-CG 3.97Å; L61-R70 HydrophobicContact CD1-CG 4.42Å; C66-R70 WeakPolarHBondContact O-CB 3.37Å; C66-R70 WeakPolarHBondContact O-CG 3.43Å; C66-R70 PolarHBondContact O-N 3.24Å; K67-R70 PolarHBondContact O-N 2.96Å; I68-R70 VanDerWaalsContact C-N 3.34Å; I68-R70 PolarHBondContact O-N 3.32Å; R70-F74 WeakPolarHBondContact O-CB 3.48Å; R70-F74 PolarHBondContact O-N 3.1Å
71	L	65.8	Low	64	Low	79 Å²	79	62.7 Å²	62.7	41%	0.414	33%	0.331	S	S	.	.	H	α-helix	trans	-64.4	-39.3	174.9	-171.7	67.4	0	0	0	111.9	K67 I68 F74 I75	K67-L71 WeakPolarHBondContact O-CB 3.46Å; K67-L71 PolarHBondContact O-N 3.18Å; I68-L71 PolarHBondContact O-N 3.14Å; L71-F74 HydrophobicContact CD1-CD1 4.36Å; L71-F74 VanDerWaalsContact O-CB 3.27Å; L71-F74 WeakPolarHBondContact O-CB 3.48Å; L71-F74 PolarHBondContact O-N 3.26Å; L71-I75 HydrophobicContact CG-CD1 4.19Å; L71-I75 VanDerWaalsContact O-CG1 3.31Å; L71-I75 WeakPolarHBondContact O-CG1 3.4Å; L71-I75 PolarHBondContact O-N 3.04Å
72	N	64.6	Low	63.4	Low	87 Å²	87	67.3 Å²	67.3	47%	0.465	35%	0.351	S	S	.	.	H	α-helix	trans	-66.2	-46.1	176.1	-73.5	-13.9	0	0	0	112.2	I68 K69 F74 I75 D76	I68-N72 PolarHBondContact O-N 3.45Å; K69-N72 PolarHBondContact O-N 3.31Å; N72-F74 PolarHBondContact O-N 2.91Å; N72-I75 PolarHBondContact O-N 3.28Å; N72-D76 PolarHBondContact O-N 2.92Å
73	I	65.1	Low	62.2	Low	25 Å²	25	62.2 Å²	62.2	13%	0.128	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-35.7	173.8	-70	165.2	0	0	0	111.1	V14 T18 V21 K69 L77	V14-I73 HydrophobicContact CG1-CD1 3.94Å; T18-I73 VanDerWaalsContact OG1-CD1 3.27Å; T18-I73 WeakPolarHBondContact OG1-CD1 3.27Å; V21-I73 HydrophobicContact CB-CG2 4.39Å; V21-I73 HydrophobicContact CG2-CG2 3.28Å; K69-I73 WeakPolarHBondContact O-CG1 3.33Å; K69-I73 PolarHBondContact O-N 3.07Å; K69-I73 VanDerWaalsContact O-N 3.12Å; I73-L77 PolarHBondContact O-N 3.19Å
74	F	64.5	Low	60.6	Low	43 Å²	43	69.8 Å²	69.8	19%	0.189	36%	0.358	C	S	.	.	H	α-helix	trans	-71	-44.3	179.7	175.5	-88.4	0	0	0	112.3	I51 R70 L71 N72 D76 L77 V78	I51-F74 HydrophobicContact CB-CE2 3.48Å; I51-F74 VanDerWaalsContact CB-CE2 3.48Å; I51-F74 HydrophobicContact CB-CZ 3.47Å; I51-F74 VanDerWaalsContact CB-CZ 3.47Å; I51-F74 HydrophobicContact CD1-CE2 4.22Å; I51-F74 HydrophobicContact CD1-CZ 3.69Å; I51-F74 HydrophobicContact CG1-CE2 3.31Å; I51-F74 HydrophobicContact CG1-CZ 3.27Å; I51-F74 HydrophobicContact CG2-CE1 4.06Å; I51-F74 HydrophobicContact CG2-CE2 3.51Å; I51-F74 HydrophobicContact CG2-CZ 3.06Å; R70-F74 WeakPolarHBondContact O-CB 3.48Å; R70-F74 PolarHBondContact O-N 3.1Å; L71-F74 HydrophobicContact CD1-CD1 4.36Å; L71-F74 VanDerWaalsContact O-CB 3.27Å; L71-F74 WeakPolarHBondContact O-CB 3.48Å; L71-F74 PolarHBondContact O-N 3.26Å; N72-F74 PolarHBondContact O-N 2.91Å; F74-D76 VanDerWaalsContact C-N 3.3Å; F74-D76 PolarHBondContact O-N 3.39Å; F74-L77 WeakPolarHBondContact O-CB 3.47Å; F74-L77 PolarHBondContact O-N 3.43Å; F74-V78 HydrophobicContact CE1-CG2 3.79Å; F74-V78 HydrophobicContact CE2-CG2 4.23Å; F74-V78 HydrophobicContact CZ-CG2 3.56Å; F74-V78 WeakPolarHBondContact O-CG2 3.34Å; F74-V78 PolarHBondContact O-N 3.42Å
75	I	64.2	Low	58.7	Low	80 Å²	80	74.3 Å²	74.3	41%	0.41	38%	0.384	S	S	.	.	H	α-helix	trans	-60.3	-41.8	172.2	-70	163.8	0	0	0	110.3	L71 N72 L77 V78 S79	L71-I75 HydrophobicContact CG-CD1 4.19Å; L71-I75 VanDerWaalsContact O-CG1 3.31Å; L71-I75 WeakPolarHBondContact O-CG1 3.4Å; L71-I75 PolarHBondContact O-N 3.04Å; N72-I75 PolarHBondContact O-N 3.28Å; I75-L77 VanDerWaalsContact C-N 3.35Å; I75-L77 PolarHBondContact O-N 3.03Å; I75-V78 PolarHBondContact O-N 2.86Å; I75-S79 VanDerWaalsContact O-CB 3.27Å; I75-S79 WeakPolarHBondContact O-CB 3.1Å; I75-S79 PolarHBondContact O-N 2.79Å; I75-S79 PolarHBondContact O-OG 2.68Å
76	D	64.3	Low	58.3	Low	92 Å²	92	74.5 Å²	74.5	49%	0.492	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-42	176.4	-74.7	-11.8	0	0	0	111.8	N72 F74 S79 N80	N72-D76 PolarHBondContact O-N 2.92Å; F74-D76 VanDerWaalsContact C-N 3.3Å; F74-D76 PolarHBondContact O-N 3.39Å; D76-S79 PolarHBondContact O-N 3.45Å; D76-N80 WeakPolarHBondContact O-CB 3.5Å; D76-N80 PolarHBondContact O-N 3.35Å; D76-N80 PolarHBondContact O-ND2 3.07Å
77	L	59	Low	57.9	Low	28 Å²	28	78.4 Å²	78.4	15%	0.147	40%	0.399	C	S	.	.	H	α-helix	trans	-59.7	-50.5	175.4	-92.1	167.8	0	0	0	111.9	V21 I73 F74 I75 S79 N80 C81	V21-L77 HydrophobicContact CB-CD1 4.32Å; V21-L77 HydrophobicContact CB-CD2 3.97Å; V21-L77 HydrophobicContact CB-CG 4Å; V21-L77 HydrophobicContact CG1-CD1 4.46Å; V21-L77 HydrophobicContact CG1-CD2 3.61Å; V21-L77 HydrophobicContact CG1-CG 3.63Å; V21-L77 HydrophobicContact CG2-CD1 3.32Å; V21-L77 HydrophobicContact CG2-CD2 3.89Å; V21-L77 HydrophobicContact CG2-CG 3.47Å; V21-L77 VanDerWaalsContact CG2-CG 3.47Å; I73-L77 PolarHBondContact O-N 3.19Å; F74-L77 WeakPolarHBondContact O-CB 3.47Å; F74-L77 PolarHBondContact O-N 3.43Å; I75-L77 VanDerWaalsContact C-N 3.35Å; I75-L77 PolarHBondContact O-N 3.03Å; L77-S79 VanDerWaalsContact C-N 3.33Å; L77-N80 PolarHBondContact O-N 2.9Å; L77-C81 VanDerWaalsContact O-CB 3.27Å; L77-C81 WeakPolarHBondContact O-CB 3.42Å; L77-C81 PolarHBondContact O-N 3.46Å; L77-C81 PolarHBondContact O-SG 3.44Å; L77-C81 VanDerWaalsContact O-SG 3.41Å
78	V	59.5	Low	57.5	Low	33 Å²	33	79.6 Å²	79.6	20%	0.2	41%	0.407	C	S	.	.	H	α-helix	trans	-64.9	-42.1	-178.9	173	0	0	0	0	110	I51 F74 I75 N80 C81 H82	I51-V78 HydrophobicContact CD1-CG2 3.64Å; I51-V78 HydrophobicContact CG1-CG2 4.21Å; F74-V78 HydrophobicContact CE1-CG2 3.79Å; F74-V78 HydrophobicContact CE2-CG2 4.23Å; F74-V78 HydrophobicContact CZ-CG2 3.56Å; F74-V78 WeakPolarHBondContact O-CG2 3.34Å; F74-V78 PolarHBondContact O-N 3.42Å; I75-V78 PolarHBondContact O-N 2.86Å; V78-N80 PolarHBondContact O-N 3.24Å; V78-C81 CarbonylContact O-C 3.54Å; V78-C81 PolarHBondContact O-N 2.74Å; V78-H82 WeakPolarHBondContact CG1-CE1 3.47Å; V78-H82 WeakPolarHBondContact CG1-ND1 3.08Å; V78-H82 PolarHBondContact O-N 3.4Å; V78-H82 PolarHBondContact O-ND1 3.26Å
79	S	59.5	Low	57	Low	72 Å²	72	78.9 Å²	78.9	50%	0.503	40%	0.403	S	S	.	.	H	α-helix	trans	-66.1	-35.8	179	-56	0	0	0	0	112.5	I75 D76 L77	I75-S79 VanDerWaalsContact O-CB 3.27Å; I75-S79 WeakPolarHBondContact O-CB 3.1Å; I75-S79 PolarHBondContact O-N 2.79Å; I75-S79 PolarHBondContact O-OG 2.68Å; D76-S79 PolarHBondContact O-N 3.45Å; L77-S79 VanDerWaalsContact C-N 3.33Å
80	N	56.2	Low	56.3	Low	113 Å²	113	77.4 Å²	77.4	60%	0.604	40%	0.401	S	S	*	.	H	α-helix	trans	-77.2	-24.8	174.2	-77	-68.1	0	0	0	113.2	D76 L77 V78	D76-N80 WeakPolarHBondContact O-CB 3.5Å; D76-N80 PolarHBondContact O-N 3.35Å; D76-N80 PolarHBondContact O-ND2 3.07Å; L77-N80 PolarHBondContact O-N 2.9Å; V78-N80 PolarHBondContact O-N 3.24Å
81	C	53.4	Low	55.8	Low	14 Å²	14	81.1 Å²	81.1	10%	0.095	42%	0.422	C	S	.	.	H	α-helix	trans	-90	-10.1	176	-75.1	0	0	0	0	113.6	I47 L77 V78 L83	I47-C81 HydrophobicContact CD1-CB 4.31Å; L77-C81 VanDerWaalsContact O-CB 3.27Å; L77-C81 WeakPolarHBondContact O-CB 3.42Å; L77-C81 PolarHBondContact O-N 3.46Å; L77-C81 PolarHBondContact O-SG 3.44Å; L77-C81 VanDerWaalsContact O-SG 3.41Å; V78-C81 CarbonylContact O-C 3.54Å; V78-C81 PolarHBondContact O-N 2.74Å; C81-L83 VanDerWaalsContact C-N 3.25Å; C81-L83 WeakPolarHBondContact O-CD1 2.76Å; C81-L83 WeakPolarHBondContact O-CG 3.44Å; C81-L83 PolarHBondContact O-N 3.19Å
82	H	50.2	Low	55.1	Low	126 Å²	126	81.3 Å²	81.3	58%	0.583	42%	0.423	S	S	*	.			trans	-70.1	88.3	163.1	-81.2	86.1	0	0	0	106.6	V78	V78-H82 WeakPolarHBondContact CG1-CE1 3.47Å; V78-H82 WeakPolarHBondContact CG1-ND1 3.08Å; V78-H82 PolarHBondContact O-N 3.4Å; V78-H82 PolarHBondContact O-ND1 3.26Å
83	L	43.8	Very low	54.4	Low	46 Å²	46	80.8 Å²	80.8	24%	0.241	42%	0.419	C	S	.	.				40.7	84.4	80.5	-69.3	157.8	0	0	0	107.9	V44 C81 I85	V44-L83 HydrophobicContact CG2-CD1 4.34Å; C81-L83 VanDerWaalsContact C-N 3.25Å; C81-L83 WeakPolarHBondContact O-CD1 2.76Å; C81-L83 WeakPolarHBondContact O-CG 3.44Å; C81-L83 PolarHBondContact O-N 3.19Å; L83-I85 HydrophobicContact CB-CG1 4.2Å; L83-I85 PolarHBondContact O-N 2.91Å
84	H	35.9	Very low	53.5	Low	171 Å²	171	85.5 Å²	85.5	79%	0.792	44%	0.444	S	S	*	.			trans	-52.9	85.3	145.8	-79.5	-82.2	0	0	0	106.9
85	I	30.9	Very low	52.5	Low	208 Å²	208	89.4 Å²	89.4	100%	1.067	47%	0.467	S	S	*	.			trans	-79.3	0	148.1	-56.7	179.2	0	0	0	105.3	L83	L83-I85 HydrophobicContact CB-CG1 4.2Å; L83-I85 PolarHBondContact O-N 2.91Å

Retrieved 85 of 85 residues in 135.5 ms (Link to these results)

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