A0A077YZ46_TRITR Loading...

Centromere protein X

AlphaFold DB , UniProt , Accession A0A077YZ46, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 82 aa.

						>A0A077YZ46_TRITR|A0A077YZ46
MDANSEQGNFKASLIQALVVNKHGDSGKLKFRPNAVDMLAYFVNIFVKEGALRAAAIAKDDNCNLVEQKHLMKVLPQLLLDF
					

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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	36.7	Very low	54.8	Low	234 Å²	234	128.3 Å²	128.3	100%	1.153	70%	0.704	S	S	*	*				0	85.1	0	-77.9	-173.8	179.1	0	0	104.8	A3	M1-A3 PolarHBondContact O-N 2.81Å; M1-A3 VanDerWaalsContact O-N 3.09Å
2	D	34	Very low	57.5	Low	167 Å²	167	120.5 Å²	120.5	89%	0.893	67%	0.67	S	S	*	*			trans	-80.9	101.9	-165.1	-60.7	-28.6	0	0	0	109.7	N4	D2-N4 PolarHBondContact O-N 3.13Å
3	A	36.4	Very low	59.8	Low	89 Å²	89	118 Å²	118	74%	0.736	67%	0.666	S	S	*	*			trans	-63.5	100.1	166.7	0	0	0	0	0	109.1	M1	M1-A3 PolarHBondContact O-N 2.81Å; M1-A3 VanDerWaalsContact O-N 3.09Å
4	N	36.8	Very low	62.1	Low	150 Å²	150	115.1 Å²	115.1	80%	0.802	65%	0.647	S	S	*	*			trans	158.9	48.6	155.6	-83.1	-18.5	0	0	0	111.8	D2 E6	D2-N4 PolarHBondContact O-N 3.13Å; N4-E6 PolarHBondContact O-N 3.06Å
5	S	36.9	Very low	64	Low	111 Å²	111	107.7 Å²	107.7	78%	0.776	61%	0.605	S	S	*	*			trans	-75.4	75.4	150.3	52	0	0	0	0	107.1	Q7	S5-Q7 PolarHBondContact O-N 3.08Å
6	E	42.1	Very low	65.4	Low	171 Å²	171	104.6 Å²	104.6	80%	0.799	58%	0.584	S	S	*	*			trans	-48.7	108.2	149.5	-75.5	-164.5	163.3	0	0	104.2	N4 G8	N4-E6 PolarHBondContact O-N 3.06Å; E6-G8 PolarHBondContact O-N 3.44Å
7	Q	55.2	Low	66.6	Low	130 Å²	130	101.2 Å²	101.2	61%	0.607	57%	0.573	S	S	*	*			trans	-58.1	96.6	177.2	-76.9	-179.6	1.5	0	0	105.5	S5 N9	S5-Q7 PolarHBondContact O-N 3.08Å; Q7-N9 PolarHBondContact O-N 3.47Å
8	G	61.8	Low	67.6	Low	58 Å²	58	100.1 Å²	100.1	60%	0.598	57%	0.565	S	S	*	*			trans	-51.2	108.7	-171.3	0	0	0	0	0	108.1	E6 N44	E6-G8 PolarHBondContact O-N 3.44Å; G8-N44 PolarHBondContact O-ND2 2.9Å; G8-N44 VanDerWaalsContact O-ND2 3.12Å; G8-N44 PolarHBondContact O-OD1 2.9Å
9	N	82.4	Confident	68.2	Low	74 Å²	74	97.5 Å²	97.5	40%	0.396	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-96.1	153.1	177.7	-159.9	6.6	0	0	0	107.9	Q7 K11 A40 Y41	Q7-N9 PolarHBondContact O-N 3.47Å; N9-K11 PolarHBondContact O-N 3.28Å; N9-A40 PolarHBondContact OD1-O 2.88Å; N9-Y41 WeakPolarHBondContact OD1-CA 3.43Å; N9-Y41 PolarHBondContact OD1-N 3.32Å
10	F	90	Very high	68.5	Low	66 Å²	66	92.7 Å²	92.7	29%	0.289	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-63.3	140.3	173.5	-71.4	-80.7	0	0	0	109.8	A12 L14 I15 A40 V43 N44 V47	F10-A12 PolarHBondContact O-N 2.96Å; F10-L14 HydrophobicContact CD1-CD2 4.08Å; F10-I15 HydrophobicContact CB-CD1 3.8Å; F10-I15 HydrophobicContact CB-CG1 4Å; F10-I15 HydrophobicContact CG-CD1 4.34Å; F10-A40 HydrophobicContact CB-CB 4.26Å; F10-A40 WeakPolarHBondContact O-CB 3.31Å; F10-V43 HydrophobicContact CD2-CB 3.85Å; F10-V43 HydrophobicContact CD2-CG1 3.67Å; F10-V43 HydrophobicContact CE2-CB 4.06Å; F10-V43 HydrophobicContact CE2-CG1 3.49Å; F10-V43 VanDerWaalsContact CE2-CG1 3.49Å; F10-V43 HydrophobicContact CG-CG1 4.31Å; F10-V43 HydrophobicContact CZ-CG1 3.98Å; F10-N44 HydrophobicContact CD2-CB 4.12Å; F10-N44 HydrophobicContact CE2-CB 4.24Å; F10-V47 HydrophobicContact CE2-CG2 4.19Å; F10-V47 HydrophobicContact CZ-CG2 3.99Å
11	K	90.7	Very high	69.2	Low	161 Å²	161	92.6 Å²	92.6	70%	0.7	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-61.4	129.7	174.8	-70	-179.1	178.2	178.8	0	109	N9 S13 L14 I15	N9-K11 PolarHBondContact O-N 3.28Å; K11-S13 PolarHBondContact O-N 3.16Å; K11-S13 VanDerWaalsContact O-N 3.13Å; K11-L14 HydrophobicContact CB-CB 4.38Å; K11-L14 WeakPolarHBondContact O-CA 3.24Å; K11-L14 VanDerWaalsContact O-CB 3.29Å; K11-L14 WeakPolarHBondContact O-CB 3.27Å; K11-L14 PolarHBondContact O-N 3.09Å; K11-I15 PolarHBondContact O-N 3.34Å
12	A	86.9	Confident	71.3	Confident	35 Å²	35	88.7 Å²	88.7	29%	0.289	50%	0.499	S	S	.	.	H	α-helix	trans	-54.6	-35	178.7	0	0	0	0	0	112.5	F10 L14 I15 Q16 V36	F10-A12 PolarHBondContact O-N 2.96Å; A12-L14 VanDerWaalsContact C-N 3.31Å; A12-L14 PolarHBondContact O-N 3.41Å; A12-I15 PolarHBondContact O-N 3.48Å; A12-Q16 WeakPolarHBondContact O-CB 3.44Å; A12-Q16 PolarHBondContact O-N 2.85Å; A12-V36 HydrophobicContact CB-CG1 3.95Å; A12-V36 VanDerWaalsContact O-CG1 3.27Å; A12-V36 WeakPolarHBondContact O-CG1 3.44Å
13	S	87.9	Confident	73.4	Confident	88 Å²	88	88 Å²	88	62%	0.615	49%	0.49	S	S	*	.	H	α-helix	trans	-62.2	-34.6	174.9	57.1	0	0	0	0	113.7	K11 A17	K11-S13 PolarHBondContact O-N 3.16Å; K11-S13 VanDerWaalsContact O-N 3.13Å; S13-A17 WeakPolarHBondContact O-CB 3.32Å; S13-A17 PolarHBondContact O-N 3.48Å
14	L	91.2	Very high	75.1	Confident	77 Å²	77	84.6 Å²	84.6	40%	0.403	46%	0.463	S	S	.	.	H	α-helix	trans	-69.5	-43.2	175.1	-179.8	65.9	0	0	0	110.7	F10 K11 A12 A17 L18	F10-L14 HydrophobicContact CD1-CD2 4.08Å; K11-L14 HydrophobicContact CB-CB 4.38Å; K11-L14 WeakPolarHBondContact O-CA 3.24Å; K11-L14 VanDerWaalsContact O-CB 3.29Å; K11-L14 WeakPolarHBondContact O-CB 3.27Å; K11-L14 PolarHBondContact O-N 3.09Å; A12-L14 VanDerWaalsContact C-N 3.31Å; A12-L14 PolarHBondContact O-N 3.41Å; L14-A17 PolarHBondContact O-N 2.83Å; L14-L18 HydrophobicContact CD1-CD1 3.67Å; L14-L18 HydrophobicContact CD1-CG 4Å; L14-L18 HydrophobicContact CD2-CD1 4.47Å; L14-L18 HydrophobicContact CG-CD1 3.85Å; L14-L18 HydrophobicContact CG-CG 4.41Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 WeakPolarHBondContact O-CG 3.42Å; L14-L18 PolarHBondContact O-N 3.45Å
15	I	90.5	Very high	76.9	Confident	4 Å²	4	82.7 Å²	82.7	2%	0.021	45%	0.453	C	S	.	.	H	α-helix	trans	-65	-42.1	177.8	-60.3	-60.4	0	0	0	111.1	F10 K11 A12 A17 L18 V19 V20 V36 L39 A40 V43	F10-I15 HydrophobicContact CB-CD1 3.8Å; F10-I15 HydrophobicContact CB-CG1 4Å; F10-I15 HydrophobicContact CG-CD1 4.34Å; K11-I15 PolarHBondContact O-N 3.34Å; A12-I15 PolarHBondContact O-N 3.48Å; I15-A17 VanDerWaalsContact C-N 3.33Å; I15-A17 PolarHBondContact O-N 3.25Å; I15-L18 PolarHBondContact O-N 3.06Å; I15-V19 HydrophobicContact CG2-CB 4.36Å; I15-V19 HydrophobicContact CG2-CG2 4.09Å; I15-V19 WeakPolarHBondContact O-CB 3.44Å; I15-V19 PolarHBondContact O-N 2.86Å; I15-V20 PolarHBondContact O-N 2.88Å; I15-V36 HydrophobicContact CB-CG1 4.11Å; I15-V36 HydrophobicContact CG2-CG1 4.06Å; I15-L39 HydrophobicContact CG2-CB 3.53Å; I15-L39 HydrophobicContact CG2-CD1 4.33Å; I15-A40 HydrophobicContact CG1-CB 3.75Å; I15-V43 HydrophobicContact CD1-CB 4.21Å; I15-V43 HydrophobicContact CD1-CG2 3.95Å
16	Q	86.7	Confident	78.5	Confident	58 Å²	58	83.2 Å²	83.2	27%	0.271	46%	0.457	S	S	.	.	I	π-helix	trans	-58.3	-45.3	172.7	-177.2	65.3	42.7	0	0	111.2	A12 V20 N21 V36	A12-Q16 WeakPolarHBondContact O-CB 3.44Å; A12-Q16 PolarHBondContact O-N 2.85Å; Q16-V20 VanDerWaalsContact NE2-CB 3.34Å; Q16-V20 WeakPolarHBondContact O-CB 3.42Å; Q16-V20 PolarHBondContact O-N 3.02Å; Q16-N21 PolarHBondContact NE2-OD1 3.44Å; Q16-N21 VanDerWaalsContact NE2-OD1 3.16Å; Q16-N21 VanDerWaalsContact O-CG 3.25Å; Q16-N21 PolarHBondContact O-N 3.28Å; Q16-N21 PolarHBondContact O-OD1 2.94Å; Q16-V36 HydrophobicContact CB-CG1 4.29Å
17	A	86.9	Confident	79.7	Confident	47 Å²	47	77.3 Å²	77.3	39%	0.388	44%	0.442	S	S	.	.	I	π-helix	trans	-68	-45.8	179.7	0	0	0	0	0	112.9	S13 L14 I15 K22	S13-A17 WeakPolarHBondContact O-CB 3.32Å; S13-A17 PolarHBondContact O-N 3.48Å; L14-A17 PolarHBondContact O-N 2.83Å; I15-A17 VanDerWaalsContact C-N 3.33Å; I15-A17 PolarHBondContact O-N 3.25Å; A17-K22 PolarHBondContact O-N 2.91Å
18	L	84.8	Confident	80.8	Confident	81 Å²	81	79.7 Å²	79.7	42%	0.424	45%	0.45	S	S	.	.	I	π-helix	trans	-80.9	-50.9	-174.1	-70.6	178.8	0	0	0	112.7	L14 I15 K22 H23	L14-L18 HydrophobicContact CD1-CD1 3.67Å; L14-L18 HydrophobicContact CD1-CG 4Å; L14-L18 HydrophobicContact CD2-CD1 4.47Å; L14-L18 HydrophobicContact CG-CD1 3.85Å; L14-L18 HydrophobicContact CG-CG 4.41Å; L14-L18 WeakPolarHBondContact O-CB 3.49Å; L14-L18 WeakPolarHBondContact O-CG 3.42Å; L14-L18 PolarHBondContact O-N 3.45Å; I15-L18 PolarHBondContact O-N 3.06Å; L18-K22 VanDerWaalsContact O-CB 3.27Å; L18-K22 WeakPolarHBondContact O-CB 3.48Å; L18-H23 PolarHBondContact O-CD2 3.19Å
19	V	77.7	Confident	81.7	Confident	51 Å²	51	80.8 Å²	80.8	31%	0.309	44%	0.442	S	S	.	.	I	π-helix	trans	-83	-51.9	-173.6	-176.5	0	0	0	0	110.1	I15 H23 L39	I15-V19 HydrophobicContact CG2-CB 4.36Å; I15-V19 HydrophobicContact CG2-CG2 4.09Å; I15-V19 WeakPolarHBondContact O-CB 3.44Å; I15-V19 PolarHBondContact O-N 2.86Å; V19-H23 WeakPolarHBondContact O-CB 3.32Å; V19-H23 PolarHBondContact O-N 3.26Å; V19-L39 HydrophobicContact CG1-CD1 4.2Å
20	V	75.3	Confident	81.6	Confident	1 Å²	1	86 Å²	86	1%	0.006	46%	0.461	C	S	.	.	I	π-helix	trans	-77.8	-49.8	-171.7	-175.7	0	0	0	0	111.7	I15 Q16 G24 F31	I15-V20 PolarHBondContact O-N 2.88Å; Q16-V20 VanDerWaalsContact NE2-CB 3.34Å; Q16-V20 WeakPolarHBondContact O-CB 3.42Å; Q16-V20 PolarHBondContact O-N 3.02Å; V20-G24 VanDerWaalsContact O-CA 3.24Å; V20-G24 WeakPolarHBondContact O-CA 3.48Å; V20-G24 PolarHBondContact O-N 3.23Å; V20-G24 VanDerWaalsContact O-N 3.08Å; V20-F31 HydrophobicContact CB-CD2 3.92Å; V20-F31 HydrophobicContact CB-CE2 4.16Å; V20-F31 HydrophobicContact CG1-CD2 3.45Å; V20-F31 VanDerWaalsContact CG1-CD2 3.45Å; V20-F31 HydrophobicContact CG1-CE2 3.85Å; V20-F31 HydrophobicContact CG2-CB 4.27Å; V20-F31 HydrophobicContact CG2-CD2 3.29Å; V20-F31 HydrophobicContact CG2-CE2 3.67Å; V20-F31 HydrophobicContact CG2-CG 3.85Å
21	N	81.7	Confident	81.4	Confident	91 Å²	91	86.2 Å²	86.2	49%	0.487	46%	0.462	S	S	.	.	I	π-helix	trans	-82.5	-37.4	-170.7	-61	-11.3	0	0	0	112.7	Q16	Q16-N21 PolarHBondContact NE2-OD1 3.44Å; Q16-N21 VanDerWaalsContact NE2-OD1 3.16Å; Q16-N21 VanDerWaalsContact O-CG 3.25Å; Q16-N21 PolarHBondContact O-N 3.28Å; Q16-N21 PolarHBondContact O-OD1 2.94Å
22	K	81.7	Confident	81.3	Confident	153 Å²	153	87.8 Å²	87.8	67%	0.665	46%	0.463	S	S	*	.	H	α-helix	trans	-83.5	-34	-177.1	-164.7	-175	177	-177.3	0	113.4	A17 L18	A17-K22 PolarHBondContact O-N 2.91Å; L18-K22 VanDerWaalsContact O-CB 3.27Å; L18-K22 WeakPolarHBondContact O-CB 3.48Å
23	H	77	Confident	81.3	Confident	151 Å²	151	91 Å²	91	70%	0.699	48%	0.481	S	S	*	.	H	α-helix	trans	-105.6	-5.9	-179.1	-61.8	-70.2	0	0	0	113.8	L18 V19	L18-H23 PolarHBondContact O-CD2 3.19Å; V19-H23 WeakPolarHBondContact O-CB 3.32Å; V19-H23 PolarHBondContact O-N 3.26Å
24	G	72.3	Confident	81.5	Confident	18 Å²	18	91 Å²	91	19%	0.186	48%	0.475	C	S	.	.	S	Bend	trans	-83.2	176.3	176.1	0	0	0	0	0	114.1	V20 S26	V20-G24 VanDerWaalsContact O-CA 3.24Å; V20-G24 WeakPolarHBondContact O-CA 3.48Å; V20-G24 PolarHBondContact O-N 3.23Å; V20-G24 VanDerWaalsContact O-N 3.08Å; G24-S26 PolarHBondContact O-N 3.03Å
25	D	74.6	Confident	81.5	Confident	110 Å²	110	88.8 Å²	88.8	59%	0.588	47%	0.467	S	S	*	.	S	Bend	trans	-73.9	58.9	-176.9	-65	-39.9	0	0	0	113.6	G27 K28	D25-G27 PolarHBondContact O-N 3.23Å; D25-G27 VanDerWaalsContact O-N 3.13Å; D25-K28 HydrophobicContact CB-CB 4.09Å; D25-K28 WeakPolarHBondContact O-CB 3.35Å; D25-K28 WeakPolarHBondContact O-CG 3.36Å; D25-K28 PolarHBondContact O-N 3.38Å
26	S	70.9	Confident	81.5	Confident	123 Å²	123	88.9 Å²	88.9	86%	0.86	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	36.4	179.4	-55.9	0	0	0	0	113.5	G24	G24-S26 PolarHBondContact O-N 3.03Å
27	G	68	Low	81.7	Confident	46 Å²	46	90.2 Å²	90.2	47%	0.474	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	2	179.2	0	0	0	0	0	116	D25	D25-G27 PolarHBondContact O-N 3.23Å; D25-G27 VanDerWaalsContact O-N 3.13Å
28	K	77.6	Confident	82	Confident	181 Å²	181	94.2 Å²	94.2	79%	0.787	49%	0.489	S	S	*	.			trans	-70.7	-36.3	171.9	-65.4	-178.3	-177.1	177.6	0	112.1	D25 K30	D25-K28 HydrophobicContact CB-CB 4.09Å; D25-K28 WeakPolarHBondContact O-CB 3.35Å; D25-K28 WeakPolarHBondContact O-CG 3.36Å; D25-K28 PolarHBondContact O-N 3.38Å; K28-K30 PolarHBondContact O-N 2.92Å
29	L	80.3	Confident	82.3	Confident	80 Å²	80	92.4 Å²	92.4	42%	0.419	48%	0.48	S	S	.	.			trans	-78	117.7	178.2	-173.5	62.3	0	0	0	110.2	F31	L29-F31 HydrophobicContact CD2-CE2 3.51Å; L29-F31 HydrophobicContact CD2-CZ 3.9Å; L29-F31 HydrophobicContact CG-CD2 4.25Å; L29-F31 HydrophobicContact CG-CE2 3.66Å; L29-F31 HydrophobicContact CG-CZ 4.35Å
30	K	81.9	Confident	83	Confident	183 Å²	183	90 Å²	90	80%	0.796	47%	0.465	S	S	*	.			trans	-114.3	128.3	176.5	-66.1	-179.5	-179.1	178.9	0	109.6	K28	K28-K30 PolarHBondContact O-N 2.92Å
31	F	84.6	Confident	83.8	Confident	72 Å²	72	95.8 Å²	95.8	32%	0.316	49%	0.488	S	S	.	.			trans	-93.6	143.6	171.9	-72.7	-104.4	0	0	0	109.4	V20 L29 A35 V36 L39	V20-F31 HydrophobicContact CB-CD2 3.92Å; V20-F31 HydrophobicContact CB-CE2 4.16Å; V20-F31 HydrophobicContact CG1-CD2 3.45Å; V20-F31 VanDerWaalsContact CG1-CD2 3.45Å; V20-F31 HydrophobicContact CG1-CE2 3.85Å; V20-F31 HydrophobicContact CG2-CB 4.27Å; V20-F31 HydrophobicContact CG2-CD2 3.29Å; V20-F31 HydrophobicContact CG2-CE2 3.67Å; V20-F31 HydrophobicContact CG2-CG 3.85Å; L29-F31 HydrophobicContact CD2-CE2 3.51Å; L29-F31 HydrophobicContact CD2-CZ 3.9Å; L29-F31 HydrophobicContact CG-CD2 4.25Å; L29-F31 HydrophobicContact CG-CE2 3.66Å; L29-F31 HydrophobicContact CG-CZ 4.35Å; F31-A35 HydrophobicContact CB-CB 4.36Å; F31-A35 HydrophobicContact CD1-CB 4.02Å; F31-V36 HydrophobicContact CB-CG2 3.78Å; F31-L39 HydrophobicContact CD1-CD1 4.02Å; F31-L39 HydrophobicContact CE1-CD1 3.92Å
32	R	89.6	Confident	84.4	Confident	193 Å²	193	96.1 Å²	96.1	73%	0.728	49%	0.485	S	S	*	.			trans	-68.6	149.2	166.7	-67.1	-171	-178.7	-174.3	1.8	108.9	N34 A35 V36	R32-N34 VanDerWaalsContact C-N 3.27Å; R32-N34 WeakPolarHBondContact CB-OD1 3.04Å; R32-N34 PolarHBondContact O-N 3.13Å; R32-A35 WeakPolarHBondContact O-CB 3.27Å; R32-A35 PolarHBondContact O-N 2.93Å; R32-V36 PolarHBondContact O-N 2.85Å
33	P	86.6	Confident	84.9	Confident	102 Å²	102	90.8 Å²	90.8	66%	0.662	47%	0.465	S	S	*	.	H	α-helix	trans	-52	-42.9	-177.5	-29.3	35.5	0	0	0	113.9	A35 V36 D37	P33-A35 VanDerWaalsContact C-N 3.27Å; P33-A35 PolarHBondContact O-N 3.38Å; P33-V36 WeakPolarHBondContact O-CB 3.38Å; P33-V36 PolarHBondContact O-N 3.47Å; P33-D37 PolarHBondContact O-N 3.25Å
34	N	91.4	Very high	85.7	Confident	90 Å²	90	84.2 Å²	84.2	48%	0.481	44%	0.435	S	S	.	.	H	α-helix	trans	-59.8	-33.8	176.8	66.9	-34.1	0	0	0	113.6	R32 D37 M38	R32-N34 VanDerWaalsContact C-N 3.27Å; R32-N34 WeakPolarHBondContact CB-OD1 3.04Å; R32-N34 PolarHBondContact O-N 3.13Å; N34-D37 PolarHBondContact O-N 3.31Å; N34-M38 WeakPolarHBondContact O-CG 3.29Å; N34-M38 PolarHBondContact O-N 3.5Å
35	A	91.3	Very high	86.9	Confident	29 Å²	29	86.1 Å²	86.1	24%	0.24	44%	0.44	C	S	.	.	H	α-helix	trans	-70.8	-34.2	176.2	0	0	0	0	0	111.3	F31 R32 P33 M38 L39	F31-A35 HydrophobicContact CB-CB 4.36Å; F31-A35 HydrophobicContact CD1-CB 4.02Å; R32-A35 WeakPolarHBondContact O-CB 3.27Å; R32-A35 PolarHBondContact O-N 2.93Å; P33-A35 VanDerWaalsContact C-N 3.27Å; P33-A35 PolarHBondContact O-N 3.38Å; A35-M38 PolarHBondContact O-N 3.29Å; A35-L39 WeakPolarHBondContact O-CB 3.28Å; A35-L39 VanDerWaalsContact O-CG 3.32Å; A35-L39 WeakPolarHBondContact O-CG 3.48Å; A35-L39 PolarHBondContact O-N 3.47Å
36	V	90.6	Very high	87.9	Confident	6 Å²	6	83.9 Å²	83.9	4%	0.036	43%	0.426	C	S	.	.	H	α-helix	trans	-66.5	-40.7	174.1	-174.4	0	0	0	0	110.7	A12 I15 Q16 F31 R32 P33 L39 A40	A12-V36 HydrophobicContact CB-CG1 3.95Å; A12-V36 VanDerWaalsContact O-CG1 3.27Å; A12-V36 WeakPolarHBondContact O-CG1 3.44Å; I15-V36 HydrophobicContact CB-CG1 4.11Å; I15-V36 HydrophobicContact CG2-CG1 4.06Å; Q16-V36 HydrophobicContact CB-CG1 4.29Å; F31-V36 HydrophobicContact CB-CG2 3.78Å; R32-V36 PolarHBondContact O-N 2.85Å; P33-V36 WeakPolarHBondContact O-CB 3.38Å; P33-V36 PolarHBondContact O-N 3.47Å; V36-L39 PolarHBondContact O-N 3.46Å; V36-A40 PolarHBondContact O-N 3.3Å
37	D	91	Very high	89.1	Confident	87 Å²	87	81.6 Å²	81.6	47%	0.465	41%	0.406	S	S	.	.	H	α-helix	trans	-65.3	-40.1	176	-62.7	-35.3	0	0	0	112	P33 N34 A40 Y41	P33-D37 PolarHBondContact O-N 3.25Å; N34-D37 PolarHBondContact O-N 3.31Å; D37-A40 WeakPolarHBondContact O-CB 3.42Å; D37-A40 PolarHBondContact O-N 3.07Å; D37-Y41 PolarHBondContact O-N 3.25Å
38	M	92.3	Very high	90.5	Very high	131 Å²	131	83.3 Å²	83.3	65%	0.645	40%	0.401	S	S	*	.	H	α-helix	trans	-63.6	-42.1	173.2	-74.6	-178.3	175.5	0	0	112	N34 A35 A40 Y41 F42	N34-M38 WeakPolarHBondContact O-CG 3.29Å; N34-M38 PolarHBondContact O-N 3.5Å; A35-M38 PolarHBondContact O-N 3.29Å; M38-A40 VanDerWaalsContact C-N 3.32Å; M38-A40 PolarHBondContact O-N 3.48Å; M38-Y41 PolarHBondContact O-N 3.02Å; M38-F42 WeakPolarHBondContact O-CB 3.34Å; M38-F42 PolarHBondContact O-N 3.43Å
39	L	91.3	Very high	91.4	Very high	42 Å²	42	77.7 Å²	77.7	22%	0.22	38%	0.377	C	S	.	.	H	α-helix	trans	-63.3	-38.7	175.1	-76	170.8	0	0	0	111.6	I15 V19 F31 A35 V36 Y41 F42 V43	I15-L39 HydrophobicContact CG2-CB 3.53Å; I15-L39 HydrophobicContact CG2-CD1 4.33Å; V19-L39 HydrophobicContact CG1-CD1 4.2Å; F31-L39 HydrophobicContact CD1-CD1 4.02Å; F31-L39 HydrophobicContact CE1-CD1 3.92Å; A35-L39 WeakPolarHBondContact O-CB 3.28Å; A35-L39 VanDerWaalsContact O-CG 3.32Å; A35-L39 WeakPolarHBondContact O-CG 3.48Å; A35-L39 PolarHBondContact O-N 3.47Å; V36-L39 PolarHBondContact O-N 3.46Å; L39-Y41 VanDerWaalsContact C-N 3.33Å; L39-Y41 PolarHBondContact O-N 3.24Å; L39-F42 PolarHBondContact O-N 3.4Å; L39-V43 VanDerWaalsContact O-CG2 3.31Å; L39-V43 WeakPolarHBondContact O-CG2 3.33Å; L39-V43 PolarHBondContact O-N 3.06Å
40	A	92.3	Very high	92.2	Very high	1 Å²	1	74.1 Å²	74.1	1%	0.008	36%	0.36	C	S	.	.	H	α-helix	trans	-57.4	-49	173.1	0	0	0	0	0	111.5	N9 F10 I15 V36 D37 M38 F42 V43 N44	N9-A40 PolarHBondContact OD1-O 2.88Å; F10-A40 HydrophobicContact CB-CB 4.26Å; F10-A40 WeakPolarHBondContact O-CB 3.31Å; I15-A40 HydrophobicContact CG1-CB 3.75Å; V36-A40 PolarHBondContact O-N 3.3Å; D37-A40 WeakPolarHBondContact O-CB 3.42Å; D37-A40 PolarHBondContact O-N 3.07Å; M38-A40 VanDerWaalsContact C-N 3.32Å; M38-A40 PolarHBondContact O-N 3.48Å; A40-F42 PolarHBondContact O-N 3.22Å; A40-V43 PolarHBondContact O-N 3.32Å; A40-N44 PolarHBondContact O-N 3.06Å
41	Y	93.1	Very high	93	Very high	122 Å²	122	68.1 Å²	68.1	48%	0.478	34%	0.344	S	S	.	.	H	α-helix	trans	-61.8	-42.6	177.4	-178.6	-107.8	0	0	0	112.2	N9 D37 M38 L39 N44 I45	N9-Y41 WeakPolarHBondContact OD1-CA 3.43Å; N9-Y41 PolarHBondContact OD1-N 3.32Å; D37-Y41 PolarHBondContact O-N 3.25Å; M38-Y41 PolarHBondContact O-N 3.02Å; L39-Y41 VanDerWaalsContact C-N 3.33Å; L39-Y41 PolarHBondContact O-N 3.24Å; Y41-N44 VanDerWaalsContact O-CB 3.32Å; Y41-N44 WeakPolarHBondContact O-CB 3.41Å; Y41-N44 PolarHBondContact O-N 3.33Å; Y41-I45 HydrophobicContact CD1-CD1 3.72Å; Y41-I45 HydrophobicContact CE1-CD1 3.23Å; Y41-I45 HydrophobicContact CE1-CG1 4.13Å; Y41-I45 PolarHBondContact O-N 3.02Å
42	F	93.4	Very high	93.6	Very high	99 Å²	99	70.3 Å²	70.3	43%	0.434	36%	0.359	S	S	.	.	H	α-helix	trans	-60.8	-45.7	177	178.7	-100.2	0	0	0	112.5	M38 L39 A40 N44 I45 F46 F82	M38-F42 WeakPolarHBondContact O-CB 3.34Å; M38-F42 PolarHBondContact O-N 3.43Å; L39-F42 PolarHBondContact O-N 3.4Å; A40-F42 PolarHBondContact O-N 3.22Å; F42-N44 VanDerWaalsContact C-N 3.26Å; F42-N44 PolarHBondContact O-N 3.02Å; F42-I45 WeakPolarHBondContact O-CB 3.4Å; F42-I45 PolarHBondContact O-N 3.49Å; F42-I45 VanDerWaalsContact O-N 3.11Å; F42-F46 PolarHBondContact O-N 3.04Å; F42-F82 HydrophobicContact CD2-CE1 4.49Å; F42-F82 HydrophobicContact CE1-CD1 4.19Å; F42-F82 AromaticContact CE2-CD1 3.71Å; F42-F82 HydrophobicContact CE2-CD1 3.71Å; F42-F82 AromaticContact CE2-CE1 3.85Å; F42-F82 HydrophobicContact CE2-CE1 3.85Å; F42-F82 AromaticContact CZ-CD1 3.44Å; F42-F82 HydrophobicContact CZ-CD1 3.44Å; F42-F82 VanDerWaalsContact CZ-CD1 3.44Å; F42-F82 AromaticContact CZ-CE1 4Å; F42-F82 HydrophobicContact CZ-CE1 4Å
43	V	93.5	Very high	94	Very high	41 Å²	41	64.1 Å²	64.1	25%	0.248	34%	0.335	C	S	.	.	H	α-helix	trans	-63.4	-35.1	176.4	179.5	0	0	0	0	110.8	F10 I15 L39 A40 F46 V47	F10-V43 HydrophobicContact CD2-CB 3.85Å; F10-V43 HydrophobicContact CD2-CG1 3.67Å; F10-V43 HydrophobicContact CE2-CB 4.06Å; F10-V43 HydrophobicContact CE2-CG1 3.49Å; F10-V43 VanDerWaalsContact CE2-CG1 3.49Å; F10-V43 HydrophobicContact CG-CG1 4.31Å; F10-V43 HydrophobicContact CZ-CG1 3.98Å; I15-V43 HydrophobicContact CD1-CB 4.21Å; I15-V43 HydrophobicContact CD1-CG2 3.95Å; L39-V43 VanDerWaalsContact O-CG2 3.31Å; L39-V43 WeakPolarHBondContact O-CG2 3.33Å; L39-V43 PolarHBondContact O-N 3.06Å; A40-V43 PolarHBondContact O-N 3.32Å; V43-F46 PolarHBondContact O-N 3.49Å; V43-V47 WeakPolarHBondContact O-CG2 3.4Å; V43-V47 PolarHBondContact O-N 3.32Å
44	N	94.2	Very high	94.6	Very high	13 Å²	13	59.4 Å²	59.4	7%	0.07	31%	0.305	C	S	.	.	H	α-helix	trans	-62.2	-42.5	172.7	-167.5	25.3	0	0	0	112.2	G8 F10 A40 Y41 F42 K48	G8-N44 PolarHBondContact O-ND2 2.9Å; G8-N44 VanDerWaalsContact O-ND2 3.12Å; G8-N44 PolarHBondContact O-OD1 2.9Å; F10-N44 HydrophobicContact CD2-CB 4.12Å; F10-N44 HydrophobicContact CE2-CB 4.24Å; A40-N44 PolarHBondContact O-N 3.06Å; Y41-N44 VanDerWaalsContact O-CB 3.32Å; Y41-N44 WeakPolarHBondContact O-CB 3.41Å; Y41-N44 PolarHBondContact O-N 3.33Å; F42-N44 VanDerWaalsContact C-N 3.26Å; F42-N44 PolarHBondContact O-N 3.02Å; N44-K48 PolarHBondContact ND2-NZ 2.95Å; N44-K48 WeakPolarHBondContact O-CB 3.4Å; N44-K48 VanDerWaalsContact O-CG 3.31Å; N44-K48 WeakPolarHBondContact O-CG 3.4Å; N44-K48 PolarHBondContact O-N 3.15Å; N44-K48 WeakPolarHBondContact OD1-CE 3.46Å
45	I	95.6	Very high	94.9	Very high	57 Å²	57	57 Å²	57	29%	0.292	30%	0.297	S	S	.	.	H	α-helix	trans	-62.3	-49	174.5	-66.8	168.3	0	0	0	110.4	Y41 F42 V47 K48 E49 F82	Y41-I45 HydrophobicContact CD1-CD1 3.72Å; Y41-I45 HydrophobicContact CE1-CD1 3.23Å; Y41-I45 HydrophobicContact CE1-CG1 4.13Å; Y41-I45 PolarHBondContact O-N 3.02Å; F42-I45 WeakPolarHBondContact O-CB 3.4Å; F42-I45 PolarHBondContact O-N 3.49Å; F42-I45 VanDerWaalsContact O-N 3.11Å; I45-V47 VanDerWaalsContact C-N 3.32Å; I45-V47 PolarHBondContact O-N 3.26Å; I45-K48 PolarHBondContact O-N 3.21Å; I45-K48 VanDerWaalsContact O-N 3.15Å; I45-E49 HydrophobicContact CG2-CG 4.14Å; I45-E49 WeakPolarHBondContact O-CB 3.39Å; I45-E49 PolarHBondContact O-N 3.26Å; I45-F82 HydrophobicContact CG2-CE1 4.45Å; I45-F82 HydrophobicContact CG2-CZ 4.14Å
46	F	96.1	Very high	95.3	Very high	64 Å²	64	58 Å²	58	28%	0.281	31%	0.305	S	S	.	.	H	α-helix	trans	-55	-45.9	-180	178.9	-96.7	0	0	0	112.4	F42 V43 E49 G50 L78 L79 F82	F42-F46 PolarHBondContact O-N 3.04Å; V43-F46 PolarHBondContact O-N 3.49Å; F46-E49 PolarHBondContact O-N 2.92Å; F46-G50 PolarHBondContact O-N 3.37Å; F46-L78 HydrophobicContact CE2-CD1 4.39Å; F46-L78 HydrophobicContact CE2-CD2 4.22Å; F46-L78 HydrophobicContact CE2-CG 3.96Å; F46-L78 HydrophobicContact CZ-CD2 4.11Å; F46-L78 HydrophobicContact CZ-CG 4.32Å; F46-L79 HydrophobicContact CE2-CD2 4.38Å; F46-L79 HydrophobicContact CZ-CD2 4.15Å; F46-F82 HydrophobicContact CB-CD1 4.36Å; F46-F82 HydrophobicContact CB-CE1 3.97Å; F46-F82 HydrophobicContact CB-CZ 4.27Å; F46-F82 HydrophobicContact CD2-CB 4.13Å; F46-F82 AromaticContact CD2-CD1 3.73Å; F46-F82 HydrophobicContact CD2-CD1 3.73Å; F46-F82 AromaticContact CD2-CD2 3.82Å; F46-F82 HydrophobicContact CD2-CD2 3.82Å; F46-F82 HydrophobicContact CD2-CE1 4.01Å; F46-F82 HydrophobicContact CD2-CE2 4.08Å; F46-F82 AromaticContact CD2-CG 3.63Å; F46-F82 HydrophobicContact CD2-CG 3.63Å; F46-F82 HydrophobicContact CD2-CZ 4.17Å; F46-F82 HydrophobicContact CE2-CB 4.24Å; F46-F82 HydrophobicContact CE2-CD2 4.23Å; F46-F82 HydrophobicContact CE2-CG 4.14Å
47	V	96.3	Very high	95.6	Very high	74 Å²	74	59.7 Å²	59.7	45%	0.448	31%	0.314	S	S	.	.	H	α-helix	trans	-66.4	-42.5	178.5	172	0	0	0	0	111.7	F10 V43 I45 G50 A51	F10-V47 HydrophobicContact CE2-CG2 4.19Å; F10-V47 HydrophobicContact CZ-CG2 3.99Å; V43-V47 WeakPolarHBondContact O-CG2 3.4Å; V43-V47 PolarHBondContact O-N 3.32Å; I45-V47 VanDerWaalsContact C-N 3.32Å; I45-V47 PolarHBondContact O-N 3.26Å; V47-G50 PolarHBondContact O-N 3.13Å; V47-A51 WeakPolarHBondContact O-CB 3.27Å; V47-A51 PolarHBondContact O-N 2.83Å
48	K	96.8	Very high	95.9	Very high	83 Å²	83	55.7 Å²	55.7	36%	0.361	29%	0.293	S	S	.	.	H	α-helix	trans	-64.4	-43.2	177.2	-75.5	176	178.4	175	0	112.1	N44 I45 A51 L52	N44-K48 PolarHBondContact ND2-NZ 2.95Å; N44-K48 WeakPolarHBondContact O-CB 3.4Å; N44-K48 VanDerWaalsContact O-CG 3.31Å; N44-K48 WeakPolarHBondContact O-CG 3.4Å; N44-K48 PolarHBondContact O-N 3.15Å; N44-K48 WeakPolarHBondContact OD1-CE 3.46Å; I45-K48 PolarHBondContact O-N 3.21Å; I45-K48 VanDerWaalsContact O-N 3.15Å; K48-A51 PolarHBondContact O-N 3.05Å; K48-L52 WeakPolarHBondContact O-CB 3.36Å; K48-L52 VanDerWaalsContact O-CG 3.29Å; K48-L52 WeakPolarHBondContact O-CG 3.24Å; K48-L52 PolarHBondContact O-N 3.05Å
49	E	97.8	Very high	96.2	Very high	63 Å²	63	57.1 Å²	57.1	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-59.3	-49.1	175.9	-81.7	-63.1	134.1	0	0	111.3	I45 F46 A51 L52 R53 L78 F82	I45-E49 HydrophobicContact CG2-CG 4.14Å; I45-E49 WeakPolarHBondContact O-CB 3.39Å; I45-E49 PolarHBondContact O-N 3.26Å; F46-E49 PolarHBondContact O-N 2.92Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 3.11Å; E49-L52 PolarHBondContact O-N 3.36Å; E49-R53 WeakPolarHBondContact O-CB 3.38Å; E49-R53 WeakPolarHBondContact O-CG 3.31Å; E49-R53 PolarHBondContact O-N 2.99Å; E49-R53 IonicContact OE2-CZ 3.11Å; E49-R53 IonicContact OE2-NE 2.66Å; E49-R53 PolarHBondContact OE2-NE 3.12Å; E49-R53 IonicContact OE2-NH2 2.71Å; E49-R53 PolarHBondContact OE2-NH2 3.36Å; E49-R53 VanDerWaalsContact OE2-NH2 3.07Å; E49-L78 HydrophobicContact CB-CD1 3.87Å; E49-F82 HydrophobicContact CB-CE2 4.24Å; E49-F82 HydrophobicContact CB-CZ 4.34Å; E49-F82 HydrophobicContact CG-CE2 4.26Å; E49-F82 HydrophobicContact CG-CZ 4.1Å
50	G	97.7	Very high	96.5	Very high	5 Å²	5	60.8 Å²	60.8	5%	0.052	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-43.5	176.1	0	0	0	0	0	112.8	F46 V47 A54	F46-G50 PolarHBondContact O-N 3.37Å; V47-G50 PolarHBondContact O-N 3.13Å; G50-A54 VanDerWaalsContact O-CB 3.22Å; G50-A54 WeakPolarHBondContact O-CB 3.46Å; G50-A54 PolarHBondContact O-N 2.83Å
51	A	97.5	Very high	96.7	Very high	56 Å²	56	63.8 Å²	63.8	46%	0.463	33%	0.331	S	S	.	.	H	α-helix	trans	-65.7	-45.6	178.7	0	0	0	0	0	112.7	V47 K48 E49 A54 A55	V47-A51 WeakPolarHBondContact O-CB 3.27Å; V47-A51 PolarHBondContact O-N 2.83Å; K48-A51 PolarHBondContact O-N 3.05Å; E49-A51 VanDerWaalsContact C-N 3.33Å; E49-A51 PolarHBondContact O-N 3.11Å; A51-A54 PolarHBondContact O-N 2.68Å; A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.48Å; A51-A55 PolarHBondContact O-N 2.99Å
52	L	97.9	Very high	96.8	Very high	119 Å²	119	65.4 Å²	65.4	62%	0.623	35%	0.348	S	S	*	.	H	α-helix	trans	-67.8	-42.2	-178.8	-72	173.4	0	0	0	112	K48 E49 A55 A56	K48-L52 WeakPolarHBondContact O-CB 3.36Å; K48-L52 VanDerWaalsContact O-CG 3.29Å; K48-L52 WeakPolarHBondContact O-CG 3.24Å; K48-L52 PolarHBondContact O-N 3.05Å; E49-L52 PolarHBondContact O-N 3.36Å; L52-A55 PolarHBondContact O-N 2.78Å; L52-A56 PolarHBondContact O-N 3.08Å
53	R	98.3	Very high	96.9	Very high	63 Å²	63	62.6 Å²	62.6	24%	0.238	34%	0.34	C	S	.	.	H	α-helix	trans	-64.8	-43.6	175.7	-66.3	174.3	-170	-148.2	2.6	111.3	E49 A55 A56 I57 V74 D81	E49-R53 WeakPolarHBondContact O-CB 3.38Å; E49-R53 WeakPolarHBondContact O-CG 3.31Å; E49-R53 PolarHBondContact O-N 2.99Å; E49-R53 IonicContact OE2-CZ 3.11Å; E49-R53 IonicContact OE2-NE 2.66Å; E49-R53 PolarHBondContact OE2-NE 3.12Å; E49-R53 IonicContact OE2-NH2 2.71Å; E49-R53 PolarHBondContact OE2-NH2 3.36Å; E49-R53 VanDerWaalsContact OE2-NH2 3.07Å; R53-A55 VanDerWaalsContact C-N 3.31Å; R53-A55 PolarHBondContact O-N 3.18Å; R53-A56 WeakPolarHBondContact O-CB 3.32Å; R53-A56 PolarHBondContact O-N 3.3Å; R53-I57 PolarHBondContact O-N 2.93Å; R53-I57 VanDerWaalsContact O-N 3.11Å; R53-V74 HydrophobicContact CB-CB 3.94Å; R53-V74 HydrophobicContact CB-CG1 3.88Å; R53-V74 HydrophobicContact CB-CG2 3.96Å; R53-D81 IonicContact CZ-OD2 2.71Å; R53-D81 IonicContact NH1-OD2 3.13Å; R53-D81 PolarHBondContact NH1-OD2 3.18Å; R53-D81 IonicContact NH2-OD2 2.71Å; R53-D81 PolarHBondContact NH2-OD2 3.03Å
54	A	98.3	Very high	97	Very high	2 Å²	2	68.8 Å²	68.8	2%	0.017	37%	0.372	C	S	.	.	H	α-helix	trans	-63.6	-36.7	175.1	0	0	0	0	0	112.1	G50 A51 I57 A58 V66 H70 L71 V74	G50-A54 VanDerWaalsContact O-CB 3.22Å; G50-A54 WeakPolarHBondContact O-CB 3.46Å; G50-A54 PolarHBondContact O-N 2.83Å; A51-A54 PolarHBondContact O-N 2.68Å; A54-I57 PolarHBondContact O-N 3.23Å; A54-A58 WeakPolarHBondContact O-CB 3.36Å; A54-A58 PolarHBondContact O-N 3.47Å; A54-V66 HydrophobicContact CB-CG1 3.75Å; A54-H70 HydrophobicContact CB-CB 4.37Å; A54-H70 WeakPolarHBondContact O-CB 3.43Å; A54-L71 HydrophobicContact CB-CB 4.17Å; A54-L71 HydrophobicContact CB-CD1 4.25Å; A54-V74 HydrophobicContact CB-CG2 4.39Å
55	A	98.3	Very high	97.2	Very high	40 Å²	40	73.6 Å²	73.6	33%	0.331	40%	0.397	S	S	.	.	H	α-helix	trans	-65.6	-37.4	174	0	0	0	0	0	112.7	A51 L52 R53 A58 K59 V66	A51-A55 VanDerWaalsContact O-CB 3.31Å; A51-A55 WeakPolarHBondContact O-CB 3.48Å; A51-A55 PolarHBondContact O-N 2.99Å; L52-A55 PolarHBondContact O-N 2.78Å; R53-A55 VanDerWaalsContact C-N 3.31Å; R53-A55 PolarHBondContact O-N 3.18Å; A55-A58 PolarHBondContact O-N 2.97Å; A55-K59 WeakPolarHBondContact O-CB 3.44Å; A55-K59 PolarHBondContact O-N 3.39Å; A55-V66 HydrophobicContact CB-CG2 4.05Å
56	A	98	Very high	97.3	Very high	49 Å²	49	74.3 Å²	74.3	41%	0.405	40%	0.404	S	S	.	.	H	α-helix	trans	-61.9	-45.9	173.5	0	0	0	0	0	111.4	L52 R53 A58 K59 D60	L52-A56 PolarHBondContact O-N 3.08Å; R53-A56 WeakPolarHBondContact O-CB 3.32Å; R53-A56 PolarHBondContact O-N 3.3Å; A56-A58 PolarHBondContact O-N 2.71Å; A56-K59 WeakPolarHBondContact O-CB 3.34Å; A56-K59 PolarHBondContact O-N 2.66Å; A56-D60 PolarHBondContact O-N 3.07Å
57	I	97.9	Very high	97.3	Very high	42 Å²	42	75.6 Å²	75.6	22%	0.215	41%	0.411	C	S	.	.	H	α-helix	trans	-61.7	-42.6	174.9	-64.3	-55.3	0	0	0	112.1	R53 A54 K59 D60 D61 H70 K73 V74	R53-I57 PolarHBondContact O-N 2.93Å; R53-I57 VanDerWaalsContact O-N 3.11Å; A54-I57 PolarHBondContact O-N 3.23Å; I57-K59 VanDerWaalsContact C-N 3.3Å; I57-K59 PolarHBondContact O-N 3.41Å; I57-D60 PolarHBondContact O-N 3.04Å; I57-D61 WeakPolarHBondContact O-CB 3.47Å; I57-D61 PolarHBondContact O-N 3.01Å; I57-H70 HydrophobicContact CB-CB 4.14Å; I57-H70 HydrophobicContact CG2-CB 3.88Å; I57-K73 HydrophobicContact CG2-CB 4.29Å; I57-K73 HydrophobicContact CG2-CD 3.43Å; I57-K73 VanDerWaalsContact CG2-CD 3.43Å; I57-K73 HydrophobicContact CG2-CG 4.49Å; I57-V74 HydrophobicContact CD1-CG1 4.17Å; I57-V74 HydrophobicContact CG1-CG1 3.36Å
58	A	98.1	Very high	97.4	Very high	3 Å²	3	79.6 Å²	79.6	3%	0.025	43%	0.425	C	S	.	.	H	α-helix	trans	-61.6	-41.2	177.2	0	0	0	0	0	111.6	A54 A55 A56 D61 N62 C63 V66 H70	A54-A58 WeakPolarHBondContact O-CB 3.36Å; A54-A58 PolarHBondContact O-N 3.47Å; A55-A58 PolarHBondContact O-N 2.97Å; A56-A58 PolarHBondContact O-N 2.71Å; A58-D61 CarbonylContact O-C 3.45Å; A58-D61 PolarHBondContact O-N 3.43Å; A58-N62 PolarHBondContact O-N 3.48Å; A58-C63 CarbonylContact C-O 3.59Å; A58-C63 HydrophobicContact CB-CB 4.33Å; A58-C63 WeakPolarHBondContact O-CA 3.22Å; A58-C63 WeakPolarHBondContact O-CB 3.11Å; A58-C63 PolarHBondContact O-N 3.39Å; A58-V66 HydrophobicContact CB-CG2 3.95Å; A58-H70 HydrophobicContact CB-CB 4.45Å; A58-H70 WeakPolarHBondContact CB-ND1 3.31Å
59	K	97.6	Very high	97.4	Very high	162 Å²	162	80.3 Å²	80.3	70%	0.704	43%	0.428	S	S	*	.	H	α-helix	trans	-62.4	-43.3	176	-176.7	-177.9	176	-174.1	0	111.7	A55 A56 I57 D61 N62	A55-K59 WeakPolarHBondContact O-CB 3.44Å; A55-K59 PolarHBondContact O-N 3.39Å; A56-K59 WeakPolarHBondContact O-CB 3.34Å; A56-K59 PolarHBondContact O-N 2.66Å; I57-K59 VanDerWaalsContact C-N 3.3Å; I57-K59 PolarHBondContact O-N 3.41Å; K59-D61 VanDerWaalsContact C-N 3.31Å; K59-D61 PolarHBondContact O-N 2.71Å; K59-N62 WeakPolarHBondContact O-CA 3.2Å; K59-N62 PolarHBondContact O-N 2.95Å
60	D	97.4	Very high	97.5	Very high	118 Å²	118	77.3 Å²	77.3	63%	0.631	41%	0.414	S	S	*	.	H	α-helix	trans	-66.1	-34.3	177.1	-67.4	-13.3	0	0	0	111.8	A56 I57 N62	A56-D60 PolarHBondContact O-N 3.07Å; I57-D60 PolarHBondContact O-N 3.04Å; D60-N62 PolarHBondContact O-N 3.34Å
61	D	96	Very high	97.5	Very high	65 Å²	65	80.4 Å²	80.4	35%	0.348	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78	8.5	172.1	-71.3	-14.6	0	0	0	112.7	I57 A58 K59 C63 H70 K73	I57-D61 WeakPolarHBondContact O-CB 3.47Å; I57-D61 PolarHBondContact O-N 3.01Å; A58-D61 CarbonylContact O-C 3.45Å; A58-D61 PolarHBondContact O-N 3.43Å; K59-D61 VanDerWaalsContact C-N 3.31Å; K59-D61 PolarHBondContact O-N 2.71Å; D61-C63 PolarHBondContact O-N 3.23Å; D61-C63 PolarHBondContact O-SG 2.88Å; D61-H70 IonicContact OD2-CD2 3.36Å; D61-H70 PolarHBondContact OD2-CD2 3.39Å; D61-H70 IonicContact OD2-NE2 3.67Å; D61-K73 IonicContact OD1-NZ 2.93Å; D61-K73 PolarHBondContact OD1-NZ 3.46Å; D61-K73 VanDerWaalsContact OD1-NZ 3.13Å; D61-K73 IonicContact OD2-NZ 3.07Å; D61-K73 PolarHBondContact OD2-NZ 3.22Å
62	N	96.4	Very high	97.5	Very high	155 Å²	155	83 Å²	83	83%	0.829	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	29.8	-176.3	-63.7	-82.5	0	0	0	114.4	A58 K59 D60	A58-N62 PolarHBondContact O-N 3.48Å; K59-N62 WeakPolarHBondContact O-CA 3.2Å; K59-N62 PolarHBondContact O-N 2.95Å; D60-N62 PolarHBondContact O-N 3.34Å
63	C	96	Very high	97.5	Very high	40 Å²	40	83.1 Å²	83.1	27%	0.27	43%	0.428	S	S	.	.			trans	-96.9	135.2	176.5	-64.9	0	0	0	0	110.4	A58 D61 L65	A58-C63 CarbonylContact C-O 3.59Å; A58-C63 HydrophobicContact CB-CB 4.33Å; A58-C63 WeakPolarHBondContact O-CA 3.22Å; A58-C63 WeakPolarHBondContact O-CB 3.11Å; A58-C63 PolarHBondContact O-N 3.39Å; D61-C63 PolarHBondContact O-N 3.23Å; D61-C63 PolarHBondContact O-SG 2.88Å; C63-L65 VanDerWaalsContact C-N 3.35Å
64	N	95.3	Very high	97.4	Very high	171 Å²	171	80.9 Å²	80.9	91%	0.914	42%	0.421	S	S	*	.	S	Bend	trans	-89.8	-1.2	173.8	65.9	-14.1	0	0	0	113.4
65	L	97.4	Very high	97.4	Very high	115 Å²	115	83.3 Å²	83.3	60%	0.602	43%	0.434	S	S	*	.	S	Bend	trans	-128.8	131.3	179.3	-177.7	66.5	0	0	0	110	C63 E67 H70	C63-L65 VanDerWaalsContact C-N 3.35Å; L65-E67 PolarHBondContact O-N 2.87Å; L65-H70 PolarHBondContact O-CE1 2.94Å
66	V	97.8	Very high	97.4	Very high	72 Å²	72	85.4 Å²	85.4	44%	0.436	44%	0.444	S	S	.	.			trans	-79	104.7	175.2	-179.6	0	0	0	0	109.7	A54 A55 A58 H70	A54-V66 HydrophobicContact CB-CG1 3.75Å; A55-V66 HydrophobicContact CB-CG2 4.05Å; A58-V66 HydrophobicContact CB-CG2 3.95Å; V66-H70 HydrophobicContact CG1-CB 4.3Å
67	E	97.4	Very high	97.4	Very high	90 Å²	90	88 Å²	88	42%	0.421	45%	0.448	S	S	.	.			trans	-86	163.5	169.3	-62.3	177.1	178.7	0	0	112.9	L65 K69 H70	L65-E67 PolarHBondContact O-N 2.87Å; E67-K69 HydrophobicContact CB-CG 4.22Å; E67-K69 PolarHBondContact O-N 2.94Å; E67-K69 VanDerWaalsContact O-N 3.13Å; E67-K69 WeakPolarHBondContact OE2-CD 3.42Å; E67-K69 WeakPolarHBondContact OE2-CE 3.47Å; E67-K69 IonicContact OE2-NZ 3.45Å; E67-K69 PolarHBondContact OE2-NZ 3.13Å; E67-H70 PolarHBondContact N-CE1 3.4Å; E67-H70 PolarHBondContact N-ND1 3.29Å; E67-H70 PolarHBondContact O-N 3.36Å; E67-H70 PolarHBondContact O-ND1 3.44Å
68	Q	97.5	Very high	97.4	Very high	159 Å²	159	86.2 Å²	86.2	74%	0.743	44%	0.439	S	S	*	.	H	α-helix	trans	-51.2	-38.1	178	-175.4	-178.3	9	0	0	113.1	H70 L71 M72	Q68-H70 PolarHBondContact O-N 3.3Å; Q68-L71 PolarHBondContact O-N 2.85Å; Q68-M72 HydrophobicContact CG-CG 4.26Å; Q68-M72 WeakPolarHBondContact O-CG 3.4Å; Q68-M72 PolarHBondContact O-N 2.98Å
69	K	97.5	Very high	97.4	Very high	97 Å²	97	90.7 Å²	90.7	42%	0.422	46%	0.462	S	S	.	.	H	α-helix	trans	-58.9	-33.2	-179.8	73.5	-169	-175.6	-154.2	0	113.1	E67 K73	E67-K69 HydrophobicContact CB-CG 4.22Å; E67-K69 PolarHBondContact O-N 2.94Å; E67-K69 VanDerWaalsContact O-N 3.13Å; E67-K69 WeakPolarHBondContact OE2-CD 3.42Å; E67-K69 WeakPolarHBondContact OE2-CE 3.47Å; E67-K69 IonicContact OE2-NZ 3.45Å; E67-K69 PolarHBondContact OE2-NZ 3.13Å; K69-K73 WeakPolarHBondContact O-CG 3.46Å; K69-K73 PolarHBondContact O-N 2.71Å
70	H	98.2	Very high	97.4	Very high	0 Å²	0	89.1 Å²	89.1	0%	0	46%	0.461	C	S	.	.	H	α-helix	trans	-72.4	-39.8	-179.8	-48.6	129.4	0	0	0	111.1	A54 I57 A58 D61 L65 V66 E67 Q68 K73	A54-H70 HydrophobicContact CB-CB 4.37Å; A54-H70 WeakPolarHBondContact O-CB 3.43Å; I57-H70 HydrophobicContact CB-CB 4.14Å; I57-H70 HydrophobicContact CG2-CB 3.88Å; A58-H70 HydrophobicContact CB-CB 4.45Å; A58-H70 WeakPolarHBondContact CB-ND1 3.31Å; D61-H70 IonicContact OD2-CD2 3.36Å; D61-H70 PolarHBondContact OD2-CD2 3.39Å; D61-H70 IonicContact OD2-NE2 3.67Å; L65-H70 PolarHBondContact O-CE1 2.94Å; V66-H70 HydrophobicContact CG1-CB 4.3Å; E67-H70 PolarHBondContact N-CE1 3.4Å; E67-H70 PolarHBondContact N-ND1 3.29Å; E67-H70 PolarHBondContact O-N 3.36Å; E67-H70 PolarHBondContact O-ND1 3.44Å; Q68-H70 PolarHBondContact O-N 3.3Å; H70-K73 PolarHBondContact O-N 3.24Å
71	L	98	Very high	97.4	Very high	71 Å²	71	87.5 Å²	87.5	37%	0.372	45%	0.452	S	S	.	.	H	α-helix	trans	-65.2	-43.1	174.1	-177.8	62.6	0	0	0	111.1	A54 Q68 K73 V74 L75	A54-L71 HydrophobicContact CB-CB 4.17Å; A54-L71 HydrophobicContact CB-CD1 4.25Å; Q68-L71 PolarHBondContact O-N 2.85Å; L71-K73 PolarHBondContact O-N 3.11Å; L71-V74 HydrophobicContact CD1-CG2 4.03Å; L71-V74 VanDerWaalsContact O-CG2 3.24Å; L71-V74 WeakPolarHBondContact O-CG2 3.29Å; L71-V74 PolarHBondContact O-N 3.44Å; L71-V74 VanDerWaalsContact O-N 3.08Å; L71-L75 WeakPolarHBondContact O-CB 3.45Å; L71-L75 PolarHBondContact O-N 3.43Å
72	M	97.9	Very high	97.3	Very high	109 Å²	109	89.1 Å²	89.1	54%	0.537	46%	0.456	S	S	.	.	H	α-helix	trans	-59.6	-33.1	178.7	-70.3	-63.4	-63.4	0	0	113.1	Q68 L75 P76	Q68-M72 HydrophobicContact CG-CG 4.26Å; Q68-M72 WeakPolarHBondContact O-CG 3.4Å; Q68-M72 PolarHBondContact O-N 2.98Å; M72-L75 HydrophobicContact SD-CD2 4.2Å; M72-P76 WeakPolarHBondContact O-CD 3.44Å
73	K	97.7	Very high	97.4	Very high	122 Å²	122	85.9 Å²	85.9	53%	0.53	44%	0.437	S	S	.	.	H	α-helix	trans	-66	-36.3	175.6	-77.2	171.4	169.6	-176.2	0	112.5	I57 D61 K69 H70 L71	I57-K73 HydrophobicContact CG2-CB 4.29Å; I57-K73 HydrophobicContact CG2-CD 3.43Å; I57-K73 VanDerWaalsContact CG2-CD 3.43Å; I57-K73 HydrophobicContact CG2-CG 4.49Å; D61-K73 IonicContact OD1-NZ 2.93Å; D61-K73 PolarHBondContact OD1-NZ 3.46Å; D61-K73 VanDerWaalsContact OD1-NZ 3.13Å; D61-K73 IonicContact OD2-NZ 3.07Å; D61-K73 PolarHBondContact OD2-NZ 3.22Å; K69-K73 WeakPolarHBondContact O-CG 3.46Å; K69-K73 PolarHBondContact O-N 2.71Å; H70-K73 PolarHBondContact O-N 3.24Å; L71-K73 PolarHBondContact O-N 3.11Å
74	V	97.7	Very high	97.5	Very high	16 Å²	16	88.3 Å²	88.3	10%	0.097	45%	0.446	C	S	.	.	H	α-helix	trans	-93	-17.7	-177.3	-54.9	0	0	0	0	113.3	R53 A54 I57 L71 Q77 L78	R53-V74 HydrophobicContact CB-CB 3.94Å; R53-V74 HydrophobicContact CB-CG1 3.88Å; R53-V74 HydrophobicContact CB-CG2 3.96Å; A54-V74 HydrophobicContact CB-CG2 4.39Å; I57-V74 HydrophobicContact CD1-CG1 4.17Å; I57-V74 HydrophobicContact CG1-CG1 3.36Å; L71-V74 HydrophobicContact CD1-CG2 4.03Å; L71-V74 VanDerWaalsContact O-CG2 3.24Å; L71-V74 WeakPolarHBondContact O-CG2 3.29Å; L71-V74 PolarHBondContact O-N 3.44Å; L71-V74 VanDerWaalsContact O-N 3.08Å; V74-Q77 PolarHBondContact O-N 2.94Å; V74-L78 WeakPolarHBondContact O-CB 3.48Å; V74-L78 PolarHBondContact O-N 3.29Å
75	L	97.4	Very high	97.6	Very high	53 Å²	53	83.7 Å²	83.7	28%	0.277	42%	0.42	S	S	.	.	H	α-helix	trans	-55.8	-43.2	-173	-171.5	63.7	0	0	0	113.7	L71 M72 Q77 L78 L79	L71-L75 WeakPolarHBondContact O-CB 3.45Å; L71-L75 PolarHBondContact O-N 3.43Å; M72-L75 HydrophobicContact SD-CD2 4.2Å; L75-Q77 PolarHBondContact O-N 3.36Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; L75-L78 PolarHBondContact O-N 3.18Å; L75-L79 HydrophobicContact CD1-CD1 4.09Å; L75-L79 HydrophobicContact CD1-CD2 4.46Å; L75-L79 HydrophobicContact CD1-CG 4.05Å; L75-L79 HydrophobicContact CG-CD1 3.94Å; L75-L79 HydrophobicContact CG-CG 4.3Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 2.95Å
76	P	98.1	Very high	97.6	Very high	85 Å²	85	81.8 Å²	81.8	55%	0.552	41%	0.409	S	S	*	.	H	α-helix	trans	-59.5	-46	179.1	-24.8	35.3	0	0	0	112.9	M72 L79 L80	M72-P76 WeakPolarHBondContact O-CD 3.44Å; P76-L79 PolarHBondContact O-N 2.81Å; P76-L80 WeakPolarHBondContact O-CG 3.47Å; P76-L80 PolarHBondContact O-N 3.22Å
77	Q	98.2	Very high	97.6	Very high	104 Å²	104	82.4 Å²	82.4	49%	0.486	41%	0.408	S	S	.	.	H	α-helix	trans	-72.7	-37.3	179	-171	61.2	49	0	0	111.6	V74 L75 L79 L80 D81	V74-Q77 PolarHBondContact O-N 2.94Å; L75-Q77 PolarHBondContact O-N 3.36Å; Q77-L79 PolarHBondContact O-N 2.94Å; Q77-L80 PolarHBondContact O-N 3.09Å; Q77-D81 PolarHBondContact NE2-OD1 3.28Å; Q77-D81 PolarHBondContact O-N 3.29Å
78	L	98	Very high	97.6	Very high	4 Å²	4	81.9 Å²	81.9	2%	0.021	41%	0.407	C	S	.	.	H	α-helix	trans	-57.4	-38.7	174	-178.7	67.5	0	0	0	111.5	F46 E49 V74 L75 L80 F82	F46-L78 HydrophobicContact CE2-CD1 4.39Å; F46-L78 HydrophobicContact CE2-CD2 4.22Å; F46-L78 HydrophobicContact CE2-CG 3.96Å; F46-L78 HydrophobicContact CZ-CD2 4.11Å; F46-L78 HydrophobicContact CZ-CG 4.32Å; E49-L78 HydrophobicContact CB-CD1 3.87Å; V74-L78 WeakPolarHBondContact O-CB 3.48Å; V74-L78 PolarHBondContact O-N 3.29Å; L75-L78 HydrophobicContact CD1-CD2 4.38Å; L75-L78 PolarHBondContact O-N 3.18Å; L78-L80 VanDerWaalsContact C-N 3.33Å; L78-F82 HydrophobicContact CD1-CD2 4.14Å; L78-F82 HydrophobicContact CD1-CE2 3.89Å; L78-F82 VanDerWaalsContact O-CD2 3.27Å; L78-F82 WeakPolarHBondContact O-CD2 3.5Å
79	L	97.6	Very high	97.6	Very high	96 Å²	96	76.4 Å²	76.4	50%	0.503	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-9.3	177.5	-65.5	175.9	0	0	0	114.1	F46 L75 P76 Q77	F46-L79 HydrophobicContact CE2-CD2 4.38Å; F46-L79 HydrophobicContact CZ-CD2 4.15Å; L75-L79 HydrophobicContact CD1-CD1 4.09Å; L75-L79 HydrophobicContact CD1-CD2 4.46Å; L75-L79 HydrophobicContact CD1-CG 4.05Å; L75-L79 HydrophobicContact CG-CD1 3.94Å; L75-L79 HydrophobicContact CG-CG 4.3Å; L75-L79 WeakPolarHBondContact O-CB 3.41Å; L75-L79 VanDerWaalsContact O-CG 3.28Å; L75-L79 WeakPolarHBondContact O-CG 3.48Å; L75-L79 PolarHBondContact O-N 2.95Å; P76-L79 PolarHBondContact O-N 2.81Å; Q77-L79 PolarHBondContact O-N 2.94Å
80	L	98.1	Very high	97.6	Very high	130 Å²	130	74.8 Å²	74.8	68%	0.681	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-29.7	172	-74.4	172.7	0	0	0	111.9	P76 Q77 L78 F82	P76-L80 WeakPolarHBondContact O-CG 3.47Å; P76-L80 PolarHBondContact O-N 3.22Å; Q77-L80 PolarHBondContact O-N 3.09Å; L78-L80 VanDerWaalsContact C-N 3.33Å; L80-F82 PolarHBondContact O-N 3.49Å
81	D	97.6	Very high	97.6	Very high	83 Å²	83	81.1 Å²	81.1	44%	0.444	41%	0.412	S	S	.	.			trans	-75.4	-15.9	178.3	-67.8	-4.1	0	0	0	112.9	R53 Q77	R53-D81 IonicContact CZ-OD2 2.71Å; R53-D81 IonicContact NH1-OD2 3.13Å; R53-D81 PolarHBondContact NH1-OD2 3.18Å; R53-D81 IonicContact NH2-OD2 2.71Å; R53-D81 PolarHBondContact NH2-OD2 3.03Å; Q77-D81 PolarHBondContact NE2-OD1 3.28Å; Q77-D81 PolarHBondContact O-N 3.29Å
82	F	94.6	Very high	97.5	Very high	100 Å²	100	82 Å²	82	44%	0.439	42%	0.415	S	S	.	.			trans	-125.3	0	-177.3	-73	-97.2	0	0	0	110.7	F42 I45 F46 E49 L78 L80	F42-F82 HydrophobicContact CD2-CE1 4.49Å; F42-F82 HydrophobicContact CE1-CD1 4.19Å; F42-F82 AromaticContact CE2-CD1 3.71Å; F42-F82 HydrophobicContact CE2-CD1 3.71Å; F42-F82 AromaticContact CE2-CE1 3.85Å; F42-F82 HydrophobicContact CE2-CE1 3.85Å; F42-F82 AromaticContact CZ-CD1 3.44Å; F42-F82 HydrophobicContact CZ-CD1 3.44Å; F42-F82 VanDerWaalsContact CZ-CD1 3.44Å; F42-F82 AromaticContact CZ-CE1 4Å; F42-F82 HydrophobicContact CZ-CE1 4Å; I45-F82 HydrophobicContact CG2-CE1 4.45Å; I45-F82 HydrophobicContact CG2-CZ 4.14Å; F46-F82 HydrophobicContact CB-CD1 4.36Å; F46-F82 HydrophobicContact CB-CE1 3.97Å; F46-F82 HydrophobicContact CB-CZ 4.27Å; F46-F82 HydrophobicContact CD2-CB 4.13Å; F46-F82 AromaticContact CD2-CD1 3.73Å; F46-F82 HydrophobicContact CD2-CD1 3.73Å; F46-F82 AromaticContact CD2-CD2 3.82Å; F46-F82 HydrophobicContact CD2-CD2 3.82Å; F46-F82 HydrophobicContact CD2-CE1 4.01Å; F46-F82 HydrophobicContact CD2-CE2 4.08Å; F46-F82 AromaticContact CD2-CG 3.63Å; F46-F82 HydrophobicContact CD2-CG 3.63Å; F46-F82 HydrophobicContact CD2-CZ 4.17Å; F46-F82 HydrophobicContact CE2-CB 4.24Å; F46-F82 HydrophobicContact CE2-CD2 4.23Å; F46-F82 HydrophobicContact CE2-CG 4.14Å; E49-F82 HydrophobicContact CB-CE2 4.24Å; E49-F82 HydrophobicContact CB-CZ 4.34Å; E49-F82 HydrophobicContact CG-CE2 4.26Å; E49-F82 HydrophobicContact CG-CZ 4.1Å; L78-F82 HydrophobicContact CD1-CD2 4.14Å; L78-F82 HydrophobicContact CD1-CE2 3.89Å; L78-F82 VanDerWaalsContact O-CD2 3.27Å; L78-F82 WeakPolarHBondContact O-CD2 3.5Å; L80-F82 PolarHBondContact O-N 3.49Å

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