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Vacuolar ATPase assembly factor VMA21

Required for the assembly of the V0 complex of the vacuolar ATPase (V-ATPase) in the endoplasmic reticulum.

AlphaFold DB , UniProt , Accession A0A060WIE1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene vma21, Length 105 aa.

						>A0A060WIE1_ONCMY|A0A060WIE1|vma21
MDNYNKQSLNSMPGPVPDFRGNDGSLVSVLKTLLFFTVMMITLPIGLYFTSKSYIFEASGYSSNDSYFYAAIVAVIAVHVVLALFVYVAWNEGTGSHQTREGKQD
					

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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	53.9	Low	55.2	Low	197 Å²	197	142.2 Å²	142.2	97%	0.97	73%	0.729	S	S	*	*				0	51.1	0	-89.1	-79.5	-161.4	0	0	108.2	Y4	M1-Y4 HydrophobicContact SD-CE2 4.44Å
2	D	56.7	Low	55.5	Low	135 Å²	135	144.6 Å²	144.6	72%	0.722	74%	0.739	S	S	*	*			trans	-117.1	3	-154.8	-48.8	-64.4	0	0	0	113.7
3	N	58	Low	55.9	Low	140 Å²	140	141.8 Å²	141.8	75%	0.749	74%	0.736	S	S	*	*	S	Bend	trans	-89.6	-11.8	-174.2	-60.3	-38.2	0	0	0	113.7
4	Y	57	Low	56.6	Low	181 Å²	181	135.5 Å²	135.5	71%	0.71	72%	0.723	S	S	*	*	S	Bend	trans	-81.2	-16.4	-178.7	-63.6	-72.4	0	0	0	113.7	M1	M1-Y4 HydrophobicContact SD-CE2 4.44Å
5	N	55.8	Low	57	Low	119 Å²	119	135.1 Å²	135.1	64%	0.636	73%	0.731	S	S	*	*	S	Bend	trans	-79.1	-32	-178.7	-164.1	-60.6	0	0	0	112.2	Q7 S8	N5-Q7 PolarHBondContact O-N 2.9Å; N5-S8 PolarHBondContact O-OG 2.68Å
6	K	53	Low	57.4	Low	172 Å²	172	132.8 Å²	132.8	75%	0.748	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-20	-176.8	-88	-174.1	172.9	-171	0	115.3
7	Q	50	Low	57.8	Low	156 Å²	156	131 Å²	131	73%	0.729	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-24.5	180	-85.8	177.3	-31.5	0	0	113.5	N5	N5-Q7 PolarHBondContact O-N 2.9Å
8	S	53.3	Low	57.9	Low	82 Å²	82	131 Å²	131	57%	0.573	72%	0.718	S	S	*	*	G	3₁₀ helix	trans	-81.3	-18.7	179.7	75.1	0	0	0	0	114	N5 N10	N5-S8 PolarHBondContact O-OG 2.68Å; S8-N10 VanDerWaalsContact C-N 3.32Å; S8-N10 PolarHBondContact O-N 3.38Å
9	L	55.9	Low	58	Low	144 Å²	144	132.5 Å²	132.5	75%	0.754	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-82.2	-7.4	-178.1	-128.6	87.8	0	0	0	113.9
10	N	56.4	Low	58	Low	141 Å²	141	137.3 Å²	137.3	75%	0.754	72%	0.724	S	S	*	*	G	3₁₀ helix	trans	-100.8	8.1	179.1	-81.8	-42	0	0	0	113.6	S8 M12	S8-N10 VanDerWaalsContact C-N 3.32Å; S8-N10 PolarHBondContact O-N 3.38Å; N10-M12 PolarHBondContact O-N 3.14Å
11	S	56.7	Low	57.9	Low	97 Å²	97	133.7 Å²	133.7	68%	0.678	72%	0.72	S	S	*	*			trans	-78.7	59.6	169.3	-54.6	0	0	0	0	109.9	P13	S11-P13 WeakPolarHBondContact O-CD 3.19Å
12	M	59.6	Low	58.1	Low	171 Å²	171	127.2 Å²	127.2	84%	0.842	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-62.4	120.2	162.9	-167.1	155.9	-176	0	0	106.1	N10 G14	N10-M12 PolarHBondContact O-N 3.14Å; M12-G14 PolarHBondContact O-N 3.34Å; M12-G14 VanDerWaalsContact O-N 3.08Å
13	P	60.6	Low	58.4	Low	109 Å²	109	126.4 Å²	126.4	71%	0.708	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-55.9	121.8	166.1	-14.5	28.3	0	0	0	105.4	S11	S11-P13 WeakPolarHBondContact O-CD 3.19Å
14	G	65.3	Low	58.7	Low	53 Å²	53	122.2 Å²	122.2	55%	0.546	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-50.3	153.1	173	0	0	0	0	0	109.5	M12 V16	M12-G14 PolarHBondContact O-N 3.34Å; M12-G14 VanDerWaalsContact O-N 3.08Å; G14-V16 PolarHBondContact O-N 2.86Å
15	P	62.7	Low	59.3	Low	130 Å²	130	116.3 Å²	116.3	84%	0.844	66%	0.66	S	S	*	*			trans	-47.7	110	-176.1	-22	29.9	0	0	0	109.1	P17	P15-P17 WeakPolarHBondContact O-CD 3.32Å
16	V	63.7	Low	60.2	Low	98 Å²	98	115.1 Å²	115.1	59%	0.594	65%	0.653	S	S	*	*			trans	-56.5	129.1	168.5	-82.2	0	0	0	0	105.4	G14 D18	G14-V16 PolarHBondContact O-N 2.86Å; V16-D18 VanDerWaalsContact C-N 3.28Å; V16-D18 PolarHBondContact O-N 2.93Å
17	P	64.8	Low	61.3	Low	102 Å²	102	111.5 Å²	111.5	66%	0.662	65%	0.645	S	S	*	*			trans	-58.7	101.3	170.9	-19.7	30.4	0	0	0	106.9	P15 F19	P15-P17 WeakPolarHBondContact O-CD 3.32Å; P17-F19 HydrophobicContact CB-CD2 4.42Å; P17-F19 HydrophobicContact CB-CE2 4.02Å; P17-F19 HydrophobicContact CB-CZ 4.49Å; P17-F19 WeakPolarHBondContact O-CD2 3.1Å; P17-F19 PolarHBondContact O-N 3.47Å
18	D	58.6	Low	62.3	Low	131 Å²	131	107.1 Å²	107.1	70%	0.701	63%	0.632	S	S	*	*			trans	-67.8	90.2	176.9	-74.3	-40.1	0	0	0	107	V16 R20	V16-D18 VanDerWaalsContact C-N 3.28Å; V16-D18 PolarHBondContact O-N 2.93Å; D18-R20 PolarHBondContact O-N 2.89Å
19	F	60.3	Low	63.5	Low	159 Å²	159	107 Å²	107	70%	0.697	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-62.5	0.1	170.9	-73.7	-82.6	0	0	0	112.9	P17 G21 N22	P17-F19 HydrophobicContact CB-CD2 4.42Å; P17-F19 HydrophobicContact CB-CE2 4.02Å; P17-F19 HydrophobicContact CB-CZ 4.49Å; P17-F19 WeakPolarHBondContact O-CD2 3.1Å; P17-F19 PolarHBondContact O-N 3.47Å; F19-G21 PolarHBondContact O-N 3.34Å; F19-G21 VanDerWaalsContact O-N 3.11Å; F19-N22 WeakPolarHBondContact O-CB 3.32Å; F19-N22 PolarHBondContact O-N 3.4Å; F19-N22 VanDerWaalsContact O-N 3.12Å
20	R	57.5	Low	64.9	Low	229 Å²	229	105.5 Å²	105.5	86%	0.864	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-68.9	-2.3	-178.5	-144.3	178.2	162.6	108.2	2.8	114.1	D18	D18-R20 PolarHBondContact O-N 2.89Å
21	G	55.3	Low	65.8	Low	62 Å²	62	105.5 Å²	105.5	64%	0.639	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-111.4	3.9	172.5	0	0	0	0	0	114.6	F19 D23	F19-G21 PolarHBondContact O-N 3.34Å; F19-G21 VanDerWaalsContact O-N 3.11Å; G21-D23 VanDerWaalsContact C-N 3.3Å; G21-D23 PolarHBondContact O-N 2.93Å
22	N	59.6	Low	66.8	Low	60 Å²	60	104.4 Å²	104.4	32%	0.321	60%	0.602	S	S	.	*	H	α-helix	trans	-81.7	-9.1	-172.6	-145.7	47.5	0	0	0	113.7	F19 G24 S25 L26	F19-N22 WeakPolarHBondContact O-CB 3.32Å; F19-N22 PolarHBondContact O-N 3.4Å; F19-N22 VanDerWaalsContact O-N 3.12Å; N22-G24 VanDerWaalsContact C-N 3.31Å; N22-G24 PolarHBondContact O-N 2.88Å; N22-S25 PolarHBondContact O-N 3.17Å; N22-S25 WeakPolarHBondContact OD1-CB 3.36Å; N22-L26 WeakPolarHBondContact ND2-CG 3.24Å; N22-L26 WeakPolarHBondContact O-CB 3.45Å; N22-L26 VanDerWaalsContact O-CG 3.31Å; N22-L26 WeakPolarHBondContact O-CG 3.21Å; N22-L26 PolarHBondContact O-N 3.43Å
23	D	62	Low	68.1	Low	118 Å²	118	101.3 Å²	101.3	63%	0.631	59%	0.588	S	S	*	*	H	α-helix	trans	-60.9	-42	179.2	-56.7	-35.9	0	0	0	111	G21 V27	G21-D23 VanDerWaalsContact C-N 3.3Å; G21-D23 PolarHBondContact O-N 2.93Å; D23-V27 WeakPolarHBondContact O-CB 3.39Å; D23-V27 WeakPolarHBondContact O-CG2 3.49Å; D23-V27 PolarHBondContact O-N 2.76Å; D23-V27 VanDerWaalsContact O-N 3.17Å
24	G	64.5	Low	69.1	Low	52 Å²	52	101.2 Å²	101.2	54%	0.536	58%	0.581	S	S	.	*	H	α-helix	trans	-69.5	-36.7	175	0	0	0	0	0	113.3	N22 S28	N22-G24 VanDerWaalsContact C-N 3.31Å; N22-G24 PolarHBondContact O-N 2.88Å; G24-S28 VanDerWaalsContact O-CB 3.24Å; G24-S28 WeakPolarHBondContact O-CB 3.37Å; G24-S28 PolarHBondContact O-N 3.12Å
25	S	69.4	Low	69.4	Low	57 Å²	57	103.3 Å²	103.3	40%	0.399	58%	0.576	S	S	.	*	H	α-helix	trans	-67.8	-48.1	179.5	175.9	0	0	0	0	111.6	N22 V27 S28 V29	N22-S25 PolarHBondContact O-N 3.17Å; N22-S25 WeakPolarHBondContact OD1-CB 3.36Å; S25-V27 PolarHBondContact O-N 2.94Å; S25-S28 PolarHBondContact O-N 2.83Å; S25-V29 WeakPolarHBondContact O-CG2 3.34Å; S25-V29 PolarHBondContact O-N 3.19Å
26	L	74.4	Confident	69.6	Low	94 Å²	94	104 Å²	104	49%	0.492	57%	0.566	S	S	.	*	H	α-helix	trans	-62.8	-43.5	177.9	-69.8	176.1	0	0	0	111.4	N22 S28 V29 L30	N22-L26 WeakPolarHBondContact ND2-CG 3.24Å; N22-L26 WeakPolarHBondContact O-CB 3.45Å; N22-L26 VanDerWaalsContact O-CG 3.31Å; N22-L26 WeakPolarHBondContact O-CG 3.21Å; N22-L26 PolarHBondContact O-N 3.43Å; L26-S28 VanDerWaalsContact C-N 3.34Å; L26-V29 PolarHBondContact O-N 3.47Å; L26-L30 WeakPolarHBondContact O-CB 3.11Å; L26-L30 WeakPolarHBondContact O-CD1 3.21Å; L26-L30 VanDerWaalsContact O-CG 3.32Å; L26-L30 WeakPolarHBondContact O-CG 3.32Å; L26-L30 PolarHBondContact O-N 3.18Å
27	V	76.6	Confident	70.3	Confident	96 Å²	96	103 Å²	103	58%	0.582	56%	0.56	S	S	*	*	H	α-helix	trans	-65.4	-37.6	175.9	174.2	0	0	0	0	111.1	D23 S25 K31	D23-V27 WeakPolarHBondContact O-CB 3.39Å; D23-V27 WeakPolarHBondContact O-CG2 3.49Å; D23-V27 PolarHBondContact O-N 2.76Å; D23-V27 VanDerWaalsContact O-N 3.17Å; S25-V27 PolarHBondContact O-N 2.94Å; V27-K31 WeakPolarHBondContact O-CB 3.49Å; V27-K31 PolarHBondContact O-N 3.11Å
28	S	70.4	Confident	70.6	Confident	64 Å²	64	101.7 Å²	101.7	45%	0.448	55%	0.55	S	S	.	.	H	α-helix	trans	-67.2	-43.1	176.4	-169.3	0	0	0	0	112.5	G24 S25 L26 K31 T32	G24-S28 VanDerWaalsContact O-CB 3.24Å; G24-S28 WeakPolarHBondContact O-CB 3.37Å; G24-S28 PolarHBondContact O-N 3.12Å; S25-S28 PolarHBondContact O-N 2.83Å; L26-S28 VanDerWaalsContact C-N 3.34Å; S28-K31 PolarHBondContact O-N 2.77Å; S28-T32 PolarHBondContact O-N 3.08Å; S28-T32 PolarHBondContact O-OG1 2.89Å; S28-T32 VanDerWaalsContact O-OG1 3.11Å
29	V	79.6	Confident	71	Confident	80 Å²	80	96.9 Å²	96.9	49%	0.485	52%	0.523	S	S	.	.	H	α-helix	trans	-67.6	-44.6	176.9	173.6	0	0	0	0	110.7	S25 L26 K31 T32 L33	S25-V29 WeakPolarHBondContact O-CG2 3.34Å; S25-V29 PolarHBondContact O-N 3.19Å; L26-V29 PolarHBondContact O-N 3.47Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 2.83Å; V29-T32 PolarHBondContact O-N 2.85Å; V29-L33 HydrophobicContact CG1-CD1 4.03Å; V29-L33 HydrophobicContact CG1-CG 4.45Å; V29-L33 WeakPolarHBondContact O-CG 3.43Å; V29-L33 PolarHBondContact O-N 2.88Å
30	L	85.6	Confident	71.4	Confident	113 Å²	113	95.9 Å²	95.9	59%	0.592	52%	0.523	S	S	*	.	H	α-helix	trans	-58.9	-42.2	173.4	-82.7	164.6	0	0	0	111.4	L26 T32 L33 L34	L26-L30 WeakPolarHBondContact O-CB 3.11Å; L26-L30 WeakPolarHBondContact O-CD1 3.21Å; L26-L30 VanDerWaalsContact O-CG 3.32Å; L26-L30 WeakPolarHBondContact O-CG 3.32Å; L26-L30 PolarHBondContact O-N 3.18Å; L30-T32 PolarHBondContact O-N 2.63Å; L30-L33 PolarHBondContact O-N 3.4Å; L30-L34 WeakPolarHBondContact O-CB 3.31Å; L30-L34 PolarHBondContact O-N 2.82Å
31	K	75.4	Confident	71.9	Confident	140 Å²	140	89.7 Å²	89.7	61%	0.609	51%	0.506	S	S	*	.	H	α-helix	trans	-63.2	-41.7	176.9	-164.3	179.7	82.8	-178.8	0	111.4	V27 S28 V29 F35	V27-K31 WeakPolarHBondContact O-CB 3.49Å; V27-K31 PolarHBondContact O-N 3.11Å; S28-K31 PolarHBondContact O-N 2.77Å; V29-K31 VanDerWaalsContact C-N 3.3Å; V29-K31 PolarHBondContact O-N 2.83Å; K31-F35 WeakPolarHBondContact O-CB 3.16Å; K31-F35 PolarHBondContact O-N 2.89Å
32	T	77.1	Confident	72.2	Confident	74 Å²	74	90.8 Å²	90.8	45%	0.454	50%	0.5	S	S	.	.	H	α-helix	trans	-64.5	-44	175.9	-61.9	0	0	0	0	112	S28 V29 L30 F35 F36	S28-T32 PolarHBondContact O-N 3.08Å; S28-T32 PolarHBondContact O-OG1 2.89Å; S28-T32 VanDerWaalsContact O-OG1 3.11Å; V29-T32 PolarHBondContact O-N 2.85Å; L30-T32 PolarHBondContact O-N 2.63Å; T32-F35 PolarHBondContact O-N 2.81Å; T32-F36 HydrophobicContact CG2-CD2 4.25Å; T32-F36 WeakPolarHBondContact O-CB 3.44Å; T32-F36 PolarHBondContact O-N 3.5Å
33	L	86.1	Confident	72.6	Confident	106 Å²	106	88.6 Å²	88.6	56%	0.555	49%	0.488	S	S	*	.	H	α-helix	trans	-67.7	-40	178.1	-70.1	174.6	0	0	0	112.1	V29 L30 F36 T37	V29-L33 HydrophobicContact CG1-CD1 4.03Å; V29-L33 HydrophobicContact CG1-CG 4.45Å; V29-L33 WeakPolarHBondContact O-CG 3.43Å; V29-L33 PolarHBondContact O-N 2.88Å; L30-L33 PolarHBondContact O-N 3.4Å; L33-F36 PolarHBondContact O-N 3.22Å; L33-T37 PolarHBondContact O-N 3.42Å; L33-T37 PolarHBondContact O-OG1 2.8Å
34	L	81.2	Confident	72.4	Confident	107 Å²	107	86.1 Å²	86.1	56%	0.56	48%	0.478	S	S	*	.	H	α-helix	trans	-64.7	-43.8	174.9	-167.5	164.2	0	0	0	110.1	L30 F36 T37 V38	L30-L34 WeakPolarHBondContact O-CB 3.31Å; L30-L34 PolarHBondContact O-N 2.82Å; L34-F36 PolarHBondContact O-N 2.98Å; L34-T37 VanDerWaalsContact CA-OG1 3.29Å; L34-T37 WeakPolarHBondContact CA-OG1 3.5Å; L34-T37 PolarHBondContact O-N 3.37Å; L34-T37 PolarHBondContact O-OG1 2.85Å; L34-V38 HydrophobicContact CD2-CG2 3.69Å; L34-V38 WeakPolarHBondContact O-CB 3.17Å; L34-V38 WeakPolarHBondContact O-CG2 3.37Å; L34-V38 PolarHBondContact O-N 2.91Å
35	F	71.6	Confident	72.3	Confident	97 Å²	97	87.7 Å²	87.7	43%	0.425	47%	0.474	S	S	.	.	H	α-helix	trans	-62.5	-43.2	176	-162.2	-96.2	0	0	0	111.5	K31 T32 T37 M39 E92	K31-F35 WeakPolarHBondContact O-CB 3.16Å; K31-F35 PolarHBondContact O-N 2.89Å; T32-F35 PolarHBondContact O-N 2.81Å; F35-T37 PolarHBondContact O-N 3.41Å; F35-M39 HydrophobicContact CD1-CE 4.22Å; F35-M39 HydrophobicContact CE1-CE 3.45Å; F35-M39 VanDerWaalsContact CE1-CE 3.45Å; F35-M39 HydrophobicContact CZ-CE 4.15Å; F35-M39 WeakPolarHBondContact O-CB 3.41Å; F35-M39 PolarHBondContact O-N 3.44Å; F35-E92 HydrophobicContact CE1-CB 3.71Å; F35-E92 HydrophobicContact CE1-CG 4.27Å; F35-E92 HydrophobicContact CZ-CB 3.6Å; F35-E92 HydrophobicContact CZ-CG 3.68Å
36	F	68.9	Low	71.7	Confident	146 Å²	146	86.6 Å²	86.6	64%	0.64	47%	0.471	S	S	*	.	H	α-helix	trans	-60.5	-42.1	174.9	-110.2	-85.3	0	0	0	112.8	T32 L33 L34 M40	T32-F36 HydrophobicContact CG2-CD2 4.25Å; T32-F36 WeakPolarHBondContact O-CB 3.44Å; T32-F36 PolarHBondContact O-N 3.5Å; L33-F36 PolarHBondContact O-N 3.22Å; L34-F36 PolarHBondContact O-N 2.98Å; F36-M40 VanDerWaalsContact O-CB 3.26Å; F36-M40 WeakPolarHBondContact O-CB 3.41Å; F36-M40 PolarHBondContact O-N 2.72Å
37	T	77.4	Confident	71	Confident	77 Å²	77	83.4 Å²	83.4	47%	0.472	46%	0.455	S	S	.	.	H	α-helix	trans	-73.3	-43	-179.4	33.7	0	0	0	0	112.3	L33 L34 F35 M39 M40 I41	L33-T37 PolarHBondContact O-N 3.42Å; L33-T37 PolarHBondContact O-OG1 2.8Å; L34-T37 VanDerWaalsContact CA-OG1 3.29Å; L34-T37 WeakPolarHBondContact CA-OG1 3.5Å; L34-T37 PolarHBondContact O-N 3.37Å; L34-T37 PolarHBondContact O-OG1 2.85Å; F35-T37 PolarHBondContact O-N 3.41Å; T37-M39 VanDerWaalsContact C-N 3.33Å; T37-M39 PolarHBondContact O-N 2.87Å; T37-M40 PolarHBondContact O-N 2.9Å; T37-I41 VanDerWaalsContact O-CG1 3.31Å; T37-I41 WeakPolarHBondContact O-CG1 3.08Å; T37-I41 PolarHBondContact O-N 3.36Å; T37-I41 VanDerWaalsContact O-N 3.11Å
38	V	71.9	Confident	70	Confident	73 Å²	73	86.4 Å²	86.4	44%	0.442	46%	0.457	S	S	.	.	H	α-helix	trans	-64.3	-40.2	175	172.5	0	0	0	0	110.4	L34 I41 T42	L34-V38 HydrophobicContact CD2-CG2 3.69Å; L34-V38 WeakPolarHBondContact O-CB 3.17Å; L34-V38 WeakPolarHBondContact O-CG2 3.37Å; L34-V38 PolarHBondContact O-N 2.91Å; V38-I41 PolarHBondContact O-N 3.11Å; V38-T42 WeakPolarHBondContact CG1-OG1 3.29Å; V38-T42 WeakPolarHBondContact O-CA 2.82Å; V38-T42 WeakPolarHBondContact O-CB 3.19Å; V38-T42 PolarHBondContact O-N 3.29Å; V38-T42 PolarHBondContact O-OG1 2.83Å
39	M	66.6	Low	69.2	Low	30 Å²	30	89.9 Å²	89.9	15%	0.148	46%	0.464	C	S	.	.	H	α-helix	trans	-64	-46.6	174.9	179.4	178.3	-83.1	0	0	111.3	F35 T37 I41 L43 V88 A89 E92	F35-M39 HydrophobicContact CD1-CE 4.22Å; F35-M39 HydrophobicContact CE1-CE 3.45Å; F35-M39 VanDerWaalsContact CE1-CE 3.45Å; F35-M39 HydrophobicContact CZ-CE 4.15Å; F35-M39 WeakPolarHBondContact O-CB 3.41Å; F35-M39 PolarHBondContact O-N 3.44Å; T37-M39 VanDerWaalsContact C-N 3.33Å; T37-M39 PolarHBondContact O-N 2.87Å; M39-I41 PolarHBondContact O-N 3.11Å; M39-L43 HydrophobicContact CG-CD1 3.57Å; M39-L43 VanDerWaalsContact O-CB 3.28Å; M39-L43 WeakPolarHBondContact O-CB 3.33Å; M39-L43 PolarHBondContact O-N 3.22Å; M39-L43 VanDerWaalsContact O-N 3.16Å; M39-L43 HydrophobicContact SD-CD1 4.5Å; M39-V88 HydrophobicContact CE-CG1 4.29Å; M39-A89 HydrophobicContact CE-CB 4.47Å; M39-A89 HydrophobicContact SD-CB 4.03Å; M39-E92 HydrophobicContact CE-CB 4.3Å; M39-E92 WeakPolarHBondContact CE-OE2 2.99Å
40	M	68.9	Low	67.8	Low	139 Å²	139	91.2 Å²	91.2	69%	0.685	47%	0.472	S	S	*	.	H	α-helix	trans	-60.7	-28.3	179.1	-169.4	-173.2	-179.6	0	0	112.9	F36 T37 P44	F36-M40 VanDerWaalsContact O-CB 3.26Å; F36-M40 WeakPolarHBondContact O-CB 3.41Å; F36-M40 PolarHBondContact O-N 2.72Å; T37-M40 PolarHBondContact O-N 2.9Å; M40-P44 WeakPolarHBondContact O-CD 3.19Å; M40-P44 WeakPolarHBondContact O-CG 3.34Å
41	I	67.6	Low	66.2	Low	99 Å²	99	88 Å²	88	51%	0.508	46%	0.459	S	S	.	.	H	α-helix	trans	-96.9	-44.3	-177.4	-65.5	168.7	0	0	0	111.9	T37 V38 M39 P44 I45	T37-I41 VanDerWaalsContact O-CG1 3.31Å; T37-I41 WeakPolarHBondContact O-CG1 3.08Å; T37-I41 PolarHBondContact O-N 3.36Å; T37-I41 VanDerWaalsContact O-N 3.11Å; V38-I41 PolarHBondContact O-N 3.11Å; M39-I41 PolarHBondContact O-N 3.11Å; I41-P44 VanDerWaalsContact O-CD 3.3Å; I41-P44 WeakPolarHBondContact O-CD 3.41Å; I41-P44 WeakPolarHBondContact O-CG 3.5Å; I41-I45 HydrophobicContact CG2-CD1 3.6Å; I41-I45 WeakPolarHBondContact O-CB 3.36Å; I41-I45 WeakPolarHBondContact O-CD1 3.45Å; I41-I45 WeakPolarHBondContact O-CG1 3.48Å; I41-I45 PolarHBondContact O-N 3.26Å
42	T	62.2	Low	64.7	Low	85 Å²	85	86.9 Å²	86.9	52%	0.521	45%	0.454	S	S	.	.	H	α-helix	trans	-73.8	-32.2	-173.7	-49.1	0	0	0	0	111.5	V38 G46	V38-T42 WeakPolarHBondContact CG1-OG1 3.29Å; V38-T42 WeakPolarHBondContact O-CA 2.82Å; V38-T42 WeakPolarHBondContact O-CB 3.19Å; V38-T42 PolarHBondContact O-N 3.29Å; V38-T42 PolarHBondContact O-OG1 2.83Å; T42-G46 WeakPolarHBondContact O-CA 3.09Å; T42-G46 PolarHBondContact O-N 3.48Å
43	L	66.6	Low	63.3	Low	14 Å²	14	88 Å²	88	7%	0.073	47%	0.465	C	S	.	.	H	α-helix	trans	-64.1	-57	174.1	-97.9	159.4	0	0	0	113.5	M39 I45 G46 L47 F85 V88	M39-L43 HydrophobicContact CG-CD1 3.57Å; M39-L43 VanDerWaalsContact O-CB 3.28Å; M39-L43 WeakPolarHBondContact O-CB 3.33Å; M39-L43 PolarHBondContact O-N 3.22Å; M39-L43 VanDerWaalsContact O-N 3.16Å; M39-L43 HydrophobicContact SD-CD1 4.5Å; L43-I45 PolarHBondContact O-N 3.28Å; L43-G46 PolarHBondContact O-N 3.27Å; L43-L47 HydrophobicContact CD2-CD1 3.5Å; L43-L47 WeakPolarHBondContact O-CB 3.24Å; L43-L47 WeakPolarHBondContact O-CD1 3.48Å; L43-L47 PolarHBondContact O-N 3.44Å; L43-L47 VanDerWaalsContact O-N 3.08Å; L43-F85 HydrophobicContact CB-CD2 3.3Å; L43-F85 HydrophobicContact CB-CE2 3.29Å; L43-F85 HydrophobicContact CB-CG 4.35Å; L43-F85 HydrophobicContact CB-CZ 4.39Å; L43-F85 HydrophobicContact CD1-CB 4.26Å; L43-F85 HydrophobicContact CD1-CD1 4.1Å; L43-F85 HydrophobicContact CD1-CD2 3.36Å; L43-F85 HydrophobicContact CD1-CE1 4.2Å; L43-F85 HydrophobicContact CD1-CE2 3.44Å; L43-F85 VanDerWaalsContact CD1-CE2 3.44Å; L43-F85 HydrophobicContact CD1-CG 3.65Å; L43-F85 HydrophobicContact CD1-CZ 3.86Å; L43-F85 HydrophobicContact CD2-CB 3.96Å; L43-F85 HydrophobicContact CD2-CD2 3.75Å; L43-F85 HydrophobicContact CD2-CE2 4.49Å; L43-F85 HydrophobicContact CD2-CG 4.11Å; L43-F85 HydrophobicContact CG-CD2 3.62Å; L43-F85 HydrophobicContact CG-CE2 3.87Å; L43-F85 HydrophobicContact CG-CG 4.24Å; L43-V88 HydrophobicContact CD1-CB 4.46Å; L43-V88 HydrophobicContact CD1-CG1 4.28Å
44	P	57.7	Low	61.4	Low	65 Å²	65	92.4 Å²	92.4	42%	0.422	48%	0.476	S	S	.	.	H	α-helix	trans	-62.2	-31.1	-178.2	21.7	-31.7	0	0	0	112.3	M40 I41 Y48	M40-P44 WeakPolarHBondContact O-CD 3.19Å; M40-P44 WeakPolarHBondContact O-CG 3.34Å; I41-P44 VanDerWaalsContact O-CD 3.3Å; I41-P44 WeakPolarHBondContact O-CD 3.41Å; I41-P44 WeakPolarHBondContact O-CG 3.5Å; P44-Y48 VanDerWaalsContact O-CB 3.24Å; P44-Y48 WeakPolarHBondContact O-CB 3.26Å; P44-Y48 PolarHBondContact O-N 3.37Å
45	I	62.2	Low	59.9	Low	86 Å²	86	93 Å²	93	44%	0.441	48%	0.478	S	S	.	.	H	α-helix	trans	-78.5	-47.2	179.6	-63.8	173.6	0	0	0	111.8	I41 L43 L47 Y48 F49	I41-I45 HydrophobicContact CG2-CD1 3.6Å; I41-I45 WeakPolarHBondContact O-CB 3.36Å; I41-I45 WeakPolarHBondContact O-CD1 3.45Å; I41-I45 WeakPolarHBondContact O-CG1 3.48Å; I41-I45 PolarHBondContact O-N 3.26Å; L43-I45 PolarHBondContact O-N 3.28Å; I45-L47 VanDerWaalsContact C-N 3.26Å; I45-L47 PolarHBondContact O-N 3.18Å; I45-Y48 WeakPolarHBondContact O-CB 3.32Å; I45-Y48 PolarHBondContact O-N 2.93Å; I45-Y48 VanDerWaalsContact O-N 3.15Å; I45-F49 HydrophobicContact CG2-CD2 3.75Å; I45-F49 HydrophobicContact CG2-CE2 3.83Å; I45-F49 WeakPolarHBondContact O-CD2 3.11Å; I45-F49 PolarHBondContact O-N 3.26Å
46	G	58.5	Low	58.7	Low	33 Å²	33	95.8 Å²	95.8	34%	0.34	49%	0.491	S	S	.	.	H	α-helix	trans	-61.9	-36.6	179.3	0	0	0	0	0	112.3	T42 L43 T50	T42-G46 WeakPolarHBondContact O-CA 3.09Å; T42-G46 PolarHBondContact O-N 3.48Å; L43-G46 PolarHBondContact O-N 3.27Å; G46-T50 WeakPolarHBondContact O-CB 3.42Å; G46-T50 PolarHBondContact O-N 2.73Å; G46-T50 VanDerWaalsContact O-N 3.07Å; G46-T50 PolarHBondContact O-OG1 3.35Å
47	L	59.5	Low	57.6	Low	28 Å²	28	97.2 Å²	97.2	15%	0.147	50%	0.499	C	S	.	.	H	α-helix	trans	-73.8	-33	174.9	-85.6	90.4	0	0	0	113.7	L43 I45 S51 V81 L84	L43-L47 HydrophobicContact CD2-CD1 3.5Å; L43-L47 WeakPolarHBondContact O-CB 3.24Å; L43-L47 WeakPolarHBondContact O-CD1 3.48Å; L43-L47 PolarHBondContact O-N 3.44Å; L43-L47 VanDerWaalsContact O-N 3.08Å; I45-L47 VanDerWaalsContact C-N 3.26Å; I45-L47 PolarHBondContact O-N 3.18Å; L47-S51 WeakPolarHBondContact O-CB 3.28Å; L47-S51 PolarHBondContact O-N 3.08Å; L47-S51 PolarHBondContact O-OG 3.42Å; L47-V81 HydrophobicContact CB-CG1 3.97Å; L47-V81 HydrophobicContact CB-CG2 4.18Å; L47-V81 HydrophobicContact CD2-CB 3.34Å; L47-V81 HydrophobicContact CD2-CG1 3.29Å; L47-V81 HydrophobicContact CD2-CG2 3.53Å; L47-V81 VanDerWaalsContact CD2-O 3.28Å; L47-V81 WeakPolarHBondContact CD2-O 3.28Å; L47-V81 HydrophobicContact CG-CG1 4.25Å; L47-V81 HydrophobicContact CG-CG2 4.4Å; L47-L84 HydrophobicContact CD2-CB 4.44Å
48	Y	54.2	Low	56.1	Low	159 Å²	159	97.5 Å²	97.5	62%	0.624	51%	0.51	S	S	*	.	H	α-helix	trans	-64.5	-45.9	173.4	178.5	-100.6	0	0	0	112.1	P44 I45 K52	P44-Y48 VanDerWaalsContact O-CB 3.24Å; P44-Y48 WeakPolarHBondContact O-CB 3.26Å; P44-Y48 PolarHBondContact O-N 3.37Å; I45-Y48 WeakPolarHBondContact O-CB 3.32Å; I45-Y48 PolarHBondContact O-N 2.93Å; I45-Y48 VanDerWaalsContact O-N 3.15Å; Y48-K52 PolarHBondContact O-N 2.99Å
49	F	53.5	Low	54.7	Low	136 Å²	136	98.7 Å²	98.7	60%	0.596	52%	0.521	S	S	*	.	H	α-helix	trans	-73.3	-38	-178.9	-83.2	-79.3	0	0	0	113.4	I45 S51 K52	I45-F49 HydrophobicContact CG2-CD2 3.75Å; I45-F49 HydrophobicContact CG2-CE2 3.83Å; I45-F49 WeakPolarHBondContact O-CD2 3.11Å; I45-F49 PolarHBondContact O-N 3.26Å; F49-S51 VanDerWaalsContact C-N 3.3Å; F49-S51 PolarHBondContact O-N 2.81Å; F49-K52 PolarHBondContact O-N 3.27Å
50	T	51.9	Low	53.8	Low	108 Å²	108	100.3 Å²	100.3	66%	0.663	55%	0.545	S	S	*	.	H	α-helix	trans	-64.1	-37.5	176.4	-56	0	0	0	0	111.3	G46 K52 S53	G46-T50 WeakPolarHBondContact O-CB 3.42Å; G46-T50 PolarHBondContact O-N 2.73Å; G46-T50 VanDerWaalsContact O-N 3.07Å; G46-T50 PolarHBondContact O-OG1 3.35Å; T50-K52 VanDerWaalsContact C-N 3.29Å; T50-K52 PolarHBondContact O-N 3.07Å; T50-S53 PolarHBondContact O-N 3.15Å
51	S	51.9	Low	52.4	Low	45 Å²	45	104.5 Å²	104.5	32%	0.315	56%	0.555	S	S	.	*	H	α-helix	trans	-69	-25.3	178.8	-60.9	0	0	0	0	113.5	L47 F49 S53 Y54 I55	L47-S51 WeakPolarHBondContact O-CB 3.28Å; L47-S51 PolarHBondContact O-N 3.08Å; L47-S51 PolarHBondContact O-OG 3.42Å; F49-S51 VanDerWaalsContact C-N 3.3Å; F49-S51 PolarHBondContact O-N 2.81Å; S51-S53 PolarHBondContact O-N 3.16Å; S51-Y54 PolarHBondContact O-N 2.67Å; S51-I55 PolarHBondContact O-N 2.76Å
52	K	43.6	Very low	51	Low	117 Å²	117	103.7 Å²	103.7	51%	0.509	56%	0.558	S	S	.	*	H	α-helix	trans	-66.8	-23.7	-178.4	-144.2	-157.8	-176	-164	0	113	Y48 F49 T50	Y48-K52 PolarHBondContact O-N 2.99Å; F49-K52 PolarHBondContact O-N 3.27Å; T50-K52 VanDerWaalsContact C-N 3.29Å; T50-K52 PolarHBondContact O-N 3.07Å
53	S	47.7	Very low	50.7	Low	98 Å²	98	104.2 Å²	104.2	69%	0.685	57%	0.565	S	S	*	*	H	α-helix	trans	-78.3	-19.1	178.7	-147.5	0	0	0	0	113.8	T50 S51	T50-S53 PolarHBondContact O-N 3.15Å; S51-S53 PolarHBondContact O-N 3.16Å
54	Y	45.4	Very low	49.9	Very low	199 Å²	199	110.4 Å²	110.4	78%	0.78	60%	0.598	S	S	*	*	H	α-helix	trans	-93.7	-23.8	174.9	-106.2	-91.8	0	0	0	113.1	S51 A58	S51-Y54 PolarHBondContact O-N 2.67Å; Y54-A58 WeakPolarHBondContact O-CB 3.11Å
55	I	50.2	Low	49.5	Very low	118 Å²	118	114.3 Å²	114.3	61%	0.605	62%	0.616	S	S	*	*	H	α-helix	trans	-78.1	-20.4	-178.4	-77.2	164.2	0	0	0	112.6	S51	S51-I55 PolarHBondContact O-N 2.76Å
56	F	47.1	Very low	49	Very low	156 Å²	156	113 Å²	113	68%	0.684	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	-7.9	-175.6	-116.6	-90.3	0	0	0	115.9	S59	F56-S59 PolarHBondContact O-OG 3.19Å
57	E	44.9	Very low	48.7	Very low	177 Å²	177	120.5 Å²	120.5	83%	0.827	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	-21	171.5	-78	-166.6	157.2	0	0	114	S59	E57-S59 PolarHBondContact O-N 3.37Å
58	A	46.4	Very low	48.4	Very low	83 Å²	83	127.4 Å²	127.4	69%	0.686	66%	0.663	S	S	*	*			trans	-76.7	1.8	177.2	0	0	0	0	0	113.6	Y54 G60	Y54-A58 WeakPolarHBondContact O-CB 3.11Å; A58-G60 PolarHBondContact O-N 3.36Å
59	S	42.1	Very low	48.3	Very low	98 Å²	98	128.2 Å²	128.2	69%	0.685	67%	0.666	S	S	*	*			trans	-76.1	43	168.1	38.3	0	0	0	0	111.8	F56 E57	F56-S59 PolarHBondContact O-OG 3.19Å; E57-S59 PolarHBondContact O-N 3.37Å
60	G	47.8	Very low	48.5	Very low	63 Å²	63	124.5 Å²	124.5	65%	0.649	66%	0.66	S	S	*	*			trans	-108.6	83	175.2	0	0	0	0	0	112	A58	A58-G60 PolarHBondContact O-N 3.36Å
61	Y	39.3	Very low	49.3	Very low	227 Å²	227	121.8 Å²	121.8	89%	0.89	65%	0.649	S	S	*	*			trans	97.9	125.3	147.5	-128.4	-116.3	0	0	0	122
62	S	38.7	Very low	49.9	Very low	82 Å²	82	123.8 Å²	123.8	57%	0.573	66%	0.655	S	S	*	*			trans	76.1	93.4	147.3	-157.8	0	0	0	0	121.3
63	S	54.6	Low	50.7	Low	97 Å²	97	122.1 Å²	122.1	68%	0.678	65%	0.654	S	S	*	*	S	Bend		31.4	108.3	129.9	-61.2	0	0	0	0	119.5
64	N	50.4	Low	51.6	Low	143 Å²	143	120.1 Å²	120.1	77%	0.765	64%	0.644	S	S	*	*	S	Bend	trans	102.1	-20.8	147.3	-62.5	-60.9	0	0	0	120.6
65	D	50.3	Low	52.7	Low	148 Å²	148	114.3 Å²	114.3	79%	0.791	63%	0.629	S	S	*	*	S	Bend	trans	-94.5	-3.6	163.1	-89.3	-38.3	0	0	0	112.8	Y67	D65-Y67 PolarHBondContact O-N 3.5Å
66	S	50.2	Low	53.7	Low	58 Å²	58	113.3 Å²	113.3	41%	0.406	62%	0.624	S	S	.	*	H	α-helix	trans	-68	-20.8	-168.2	-52.4	0	0	0	0	115.7	A70	S66-A70 WeakPolarHBondContact O-CB 3.41Å; S66-A70 PolarHBondContact O-N 2.91Å
67	Y	53.5	Low	54.5	Low	191 Å²	191	107.9 Å²	107.9	75%	0.749	61%	0.608	S	S	*	*	H	α-helix	trans	-79.4	-37.2	-176.4	-68.8	-74.9	0	0	0	112.9	D65 A71	D65-Y67 PolarHBondContact O-N 3.5Å; Y67-A71 WeakPolarHBondContact O-CB 3.43Å; Y67-A71 PolarHBondContact O-N 3.11Å
68	F	51.7	Low	55.5	Low	172 Å²	172	103.3 Å²	103.3	75%	0.754	59%	0.592	S	S	*	*	H	α-helix	trans	-71.1	-42.7	177.9	-111.3	-89.1	0	0	0	111.2	A71 I72	F68-A71 PolarHBondContact O-N 3.44Å; F68-I72 WeakPolarHBondContact O-CG1 3.43Å; F68-I72 PolarHBondContact O-N 2.85Å
69	Y	52.2	Low	56.7	Low	177 Å²	177	104.8 Å²	104.8	69%	0.694	58%	0.584	S	S	*	*	H	α-helix	trans	-69.6	-39.5	176.6	-126.4	-90.8	0	0	0	111.6	A71 I72 V73	Y69-A71 VanDerWaalsContact C-N 3.34Å; Y69-A71 PolarHBondContact O-N 2.98Å; Y69-I72 PolarHBondContact O-N 2.86Å; Y69-V73 HydrophobicContact CD1-CG2 4.16Å; Y69-V73 VanDerWaalsContact O-CB 3.28Å; Y69-V73 WeakPolarHBondContact O-CB 3.34Å; Y69-V73 WeakPolarHBondContact O-CG2 3.31Å; Y69-V73 PolarHBondContact O-N 2.74Å
70	A	59.5	Low	57.8	Low	57 Å²	57	103.8 Å²	103.8	47%	0.471	57%	0.574	S	S	.	*	H	α-helix	trans	-64.7	-36.3	173	0	0	0	0	0	112.4	S66 A74	S66-A70 WeakPolarHBondContact O-CB 3.41Å; S66-A70 PolarHBondContact O-N 2.91Å; A70-A74 WeakPolarHBondContact O-CB 3.24Å; A70-A74 PolarHBondContact O-N 2.97Å
71	A	68.4	Low	58.6	Low	52 Å²	52	102.7 Å²	102.7	43%	0.43	56%	0.555	S	S	.	*	H	α-helix	trans	-67.1	-45.1	176.8	0	0	0	0	0	111.8	Y67 F68 Y69 A74 V75	Y67-A71 WeakPolarHBondContact O-CB 3.43Å; Y67-A71 PolarHBondContact O-N 3.11Å; F68-A71 PolarHBondContact O-N 3.44Å; Y69-A71 VanDerWaalsContact C-N 3.34Å; Y69-A71 PolarHBondContact O-N 2.98Å; A71-A74 PolarHBondContact O-N 3.48Å; A71-V75 WeakPolarHBondContact O-CB 3.19Å; A71-V75 VanDerWaalsContact O-CG2 3.23Å; A71-V75 WeakPolarHBondContact O-CG2 3.42Å; A71-V75 PolarHBondContact O-N 2.89Å
72	I	63.1	Low	59.8	Low	86 Å²	86	96.3 Å²	96.3	44%	0.441	54%	0.535	S	S	.	.	H	α-helix	trans	-66.6	-43	177.5	-67.7	165	0	0	0	110.6	F68 Y69 A74 V75 I76	F68-I72 WeakPolarHBondContact O-CG1 3.43Å; F68-I72 PolarHBondContact O-N 2.85Å; Y69-I72 PolarHBondContact O-N 2.86Å; I72-A74 VanDerWaalsContact C-N 3.34Å; I72-A74 PolarHBondContact O-N 3.41Å; I72-V75 PolarHBondContact O-N 2.99Å; I72-I76 HydrophobicContact CG2-CD1 3.72Å; I72-I76 HydrophobicContact CG2-CG1 4.28Å; I72-I76 WeakPolarHBondContact O-CB 3.3Å; I72-I76 VanDerWaalsContact O-CG1 3.3Å; I72-I76 WeakPolarHBondContact O-CG1 3.35Å; I72-I76 PolarHBondContact O-N 3.33Å
73	V	62.1	Low	60.9	Low	82 Å²	82	95.4 Å²	95.4	50%	0.497	53%	0.533	S	S	.	.	H	α-helix	trans	-65	-38.9	176.3	170	0	0	0	0	111.1	Y69 I76 A77	Y69-V73 HydrophobicContact CD1-CG2 4.16Å; Y69-V73 VanDerWaalsContact O-CB 3.28Å; Y69-V73 WeakPolarHBondContact O-CB 3.34Å; Y69-V73 WeakPolarHBondContact O-CG2 3.31Å; Y69-V73 PolarHBondContact O-N 2.74Å; V73-I76 PolarHBondContact O-N 3.27Å; V73-A77 WeakPolarHBondContact O-CB 2.99Å; V73-A77 PolarHBondContact O-N 3.5Å
74	A	66.1	Low	61.3	Low	56 Å²	56	94.9 Å²	94.9	46%	0.463	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-42.6	174.1	0	0	0	0	0	111.6	A70 A71 I72 A77 V78	A70-A74 WeakPolarHBondContact O-CB 3.24Å; A70-A74 PolarHBondContact O-N 2.97Å; A71-A74 PolarHBondContact O-N 3.48Å; I72-A74 VanDerWaalsContact C-N 3.34Å; I72-A74 PolarHBondContact O-N 3.41Å; A74-A77 PolarHBondContact O-N 2.91Å; A74-V78 VanDerWaalsContact O-CG2 3.31Å; A74-V78 WeakPolarHBondContact O-CG2 2.94Å; A74-V78 PolarHBondContact O-N 3.38Å
75	V	68.2	Low	61.9	Low	78 Å²	78	91.4 Å²	91.4	47%	0.473	50%	0.5	S	S	.	.	H	α-helix	trans	-67.2	-45.8	176.7	173.6	0	0	0	0	111	A71 I72 A77 V78 H79	A71-V75 WeakPolarHBondContact O-CB 3.19Å; A71-V75 VanDerWaalsContact O-CG2 3.23Å; A71-V75 WeakPolarHBondContact O-CG2 3.42Å; A71-V75 PolarHBondContact O-N 2.89Å; I72-V75 PolarHBondContact O-N 2.99Å; V75-A77 VanDerWaalsContact C-N 3.33Å; V75-A77 PolarHBondContact O-N 2.85Å; V75-V78 WeakPolarHBondContact O-CB 3.33Å; V75-V78 PolarHBondContact O-N 3.42Å; V75-H79 VanDerWaalsContact CG1-CE1 3.47Å; V75-H79 WeakPolarHBondContact CG1-CE1 3.32Å; V75-H79 WeakPolarHBondContact CG1-ND1 3.37Å; V75-H79 PolarHBondContact O-N 3.19Å; V75-H79 PolarHBondContact O-ND1 3.34Å
76	I	70.4	Confident	62.6	Low	96 Å²	96	88.6 Å²	88.6	49%	0.492	49%	0.488	S	S	.	.	H	α-helix	trans	-63.1	-40.3	177	-70.5	175.3	0	0	0	110.7	I72 V73 V78 H79 V80	I72-I76 HydrophobicContact CG2-CD1 3.72Å; I72-I76 HydrophobicContact CG2-CG1 4.28Å; I72-I76 WeakPolarHBondContact O-CB 3.3Å; I72-I76 VanDerWaalsContact O-CG1 3.3Å; I72-I76 WeakPolarHBondContact O-CG1 3.35Å; I72-I76 PolarHBondContact O-N 3.33Å; V73-I76 PolarHBondContact O-N 3.27Å; I76-V78 VanDerWaalsContact C-N 3.33Å; I76-V78 PolarHBondContact O-N 2.97Å; I76-H79 PolarHBondContact O-N 3.1Å; I76-H79 VanDerWaalsContact O-N 3.09Å; I76-V80 HydrophobicContact CG2-CG2 4.14Å; I76-V80 VanDerWaalsContact O-CG2 3.32Å; I76-V80 WeakPolarHBondContact O-CG2 3Å; I76-V80 PolarHBondContact O-N 3.22Å
77	A	64	Low	62.9	Low	42 Å²	42	92.7 Å²	92.7	35%	0.347	50%	0.496	S	S	.	.	H	α-helix	trans	-59	-46.4	174.6	0	0	0	0	0	110.7	V73 A74 V75 H79 V80 V81	V73-A77 WeakPolarHBondContact O-CB 2.99Å; V73-A77 PolarHBondContact O-N 3.5Å; A74-A77 PolarHBondContact O-N 2.91Å; V75-A77 VanDerWaalsContact C-N 3.33Å; V75-A77 PolarHBondContact O-N 2.85Å; A77-H79 VanDerWaalsContact C-N 3.3Å; A77-H79 PolarHBondContact O-N 3.49Å; A77-V80 PolarHBondContact O-N 3.36Å; A77-V81 WeakPolarHBondContact O-CB 3.42Å; A77-V81 WeakPolarHBondContact O-CG2 3.41Å; A77-V81 PolarHBondContact O-N 3.21Å
78	V	65.6	Low	63	Low	81 Å²	81	85.5 Å²	85.5	49%	0.491	47%	0.472	S	S	.	.	H	α-helix	trans	-59.5	-40	173.7	171.6	0	0	0	0	111.6	A74 V75 I76 V81 L82	A74-V78 VanDerWaalsContact O-CG2 3.31Å; A74-V78 WeakPolarHBondContact O-CG2 2.94Å; A74-V78 PolarHBondContact O-N 3.38Å; V75-V78 WeakPolarHBondContact O-CB 3.33Å; V75-V78 PolarHBondContact O-N 3.42Å; I76-V78 VanDerWaalsContact C-N 3.33Å; I76-V78 PolarHBondContact O-N 2.97Å; V78-V81 WeakPolarHBondContact O-CB 3.27Å; V78-V81 PolarHBondContact O-N 2.76Å; V78-L82 HydrophobicContact CG1-CD1 3.95Å; V78-L82 HydrophobicContact CG1-CG 4.48Å; V78-L82 VanDerWaalsContact O-CG 3.24Å; V78-L82 WeakPolarHBondContact O-CG 3.24Å; V78-L82 PolarHBondContact O-N 3.33Å
79	H	73.4	Confident	63.3	Low	115 Å²	115	79.4 Å²	79.4	53%	0.532	45%	0.453	S	S	.	.	H	α-helix	trans	-71.6	-39.8	179.8	-76.1	76.8	0	0	0	113.3	V75 I76 A77 V81 L82 A83	V75-H79 VanDerWaalsContact CG1-CE1 3.47Å; V75-H79 WeakPolarHBondContact CG1-CE1 3.32Å; V75-H79 WeakPolarHBondContact CG1-ND1 3.37Å; V75-H79 PolarHBondContact O-N 3.19Å; V75-H79 PolarHBondContact O-ND1 3.34Å; I76-H79 PolarHBondContact O-N 3.1Å; I76-H79 VanDerWaalsContact O-N 3.09Å; A77-H79 VanDerWaalsContact C-N 3.3Å; A77-H79 PolarHBondContact O-N 3.49Å; H79-V81 PolarHBondContact O-N 2.95Å; H79-L82 PolarHBondContact O-N 3.4Å; H79-A83 VanDerWaalsContact O-CB 3.24Å; H79-A83 WeakPolarHBondContact O-CB 3.17Å; H79-A83 PolarHBondContact O-N 3.39Å
80	V	64.9	Low	63.3	Low	76 Å²	76	79.5 Å²	79.5	46%	0.461	45%	0.452	S	S	.	.	H	α-helix	trans	-62.8	-35.9	173.4	172	0	0	0	0	109.6	I76 A77 A83 L84	I76-V80 HydrophobicContact CG2-CG2 4.14Å; I76-V80 VanDerWaalsContact O-CG2 3.32Å; I76-V80 WeakPolarHBondContact O-CG2 3Å; I76-V80 PolarHBondContact O-N 3.22Å; A77-V80 PolarHBondContact O-N 3.36Å; V80-A83 PolarHBondContact O-N 2.8Å; V80-L84 HydrophobicContact CG1-CD1 4.03Å; V80-L84 WeakPolarHBondContact O-CB 3.28Å; V80-L84 PolarHBondContact O-N 3.09Å
81	V	63	Low	62.9	Low	41 Å²	41	80.4 Å²	80.4	25%	0.248	45%	0.449	C	S	.	.	H	α-helix	trans	-64.4	-46.5	176.8	165.4	0	0	0	0	111.6	L47 A77 V78 H79 F85	L47-V81 HydrophobicContact CB-CG1 3.97Å; L47-V81 HydrophobicContact CB-CG2 4.18Å; L47-V81 HydrophobicContact CD2-CB 3.34Å; L47-V81 HydrophobicContact CD2-CG1 3.29Å; L47-V81 HydrophobicContact CD2-CG2 3.53Å; L47-V81 VanDerWaalsContact CD2-O 3.28Å; L47-V81 WeakPolarHBondContact CD2-O 3.28Å; L47-V81 HydrophobicContact CG-CG1 4.25Å; L47-V81 HydrophobicContact CG-CG2 4.4Å; A77-V81 WeakPolarHBondContact O-CB 3.42Å; A77-V81 WeakPolarHBondContact O-CG2 3.41Å; A77-V81 PolarHBondContact O-N 3.21Å; V78-V81 WeakPolarHBondContact O-CB 3.27Å; V78-V81 PolarHBondContact O-N 2.76Å; H79-V81 PolarHBondContact O-N 2.95Å; V81-F85 VanDerWaalsContact O-CB 3.27Å; V81-F85 WeakPolarHBondContact O-CB 3.42Å; V81-F85 PolarHBondContact O-N 3.45Å
82	L	66.1	Low	62.2	Low	93 Å²	93	81.8 Å²	81.8	49%	0.487	45%	0.447	S	S	.	.	H	α-helix	trans	-69.4	-37.3	177.2	-66.9	170.4	0	0	0	112.6	V78 H79 F85 V86	V78-L82 HydrophobicContact CG1-CD1 3.95Å; V78-L82 HydrophobicContact CG1-CG 4.48Å; V78-L82 VanDerWaalsContact O-CG 3.24Å; V78-L82 WeakPolarHBondContact O-CG 3.24Å; V78-L82 PolarHBondContact O-N 3.33Å; H79-L82 PolarHBondContact O-N 3.4Å; L82-F85 WeakPolarHBondContact O-CB 3.16Å; L82-F85 PolarHBondContact O-N 2.79Å; L82-V86 VanDerWaalsContact O-CG2 3.29Å; L82-V86 WeakPolarHBondContact O-CG2 3.29Å; L82-V86 PolarHBondContact O-N 2.99Å
83	A	60.4	Low	61.5	Low	62 Å²	62	80.3 Å²	80.3	51%	0.512	45%	0.453	S	S	.	.	H	α-helix	trans	-68	-41.2	179.2	0	0	0	0	0	111.7	H79 V80 Y87	H79-A83 VanDerWaalsContact O-CB 3.24Å; H79-A83 WeakPolarHBondContact O-CB 3.17Å; H79-A83 PolarHBondContact O-N 3.39Å; V80-A83 PolarHBondContact O-N 2.8Å; A83-Y87 WeakPolarHBondContact O-CB 3.47Å; A83-Y87 PolarHBondContact O-N 3.38Å
84	L	63	Low	60.7	Low	87 Å²	87	80.3 Å²	80.3	46%	0.455	45%	0.453	S	S	.	.	H	α-helix	trans	-68.9	-36.8	172.4	-81.3	164.6	0	0	0	111.8	L47 V80 Y87 V88	L47-L84 HydrophobicContact CD2-CB 4.44Å; V80-L84 HydrophobicContact CG1-CD1 4.03Å; V80-L84 WeakPolarHBondContact O-CB 3.28Å; V80-L84 PolarHBondContact O-N 3.09Å; L84-Y87 PolarHBondContact O-N 3.45Å; L84-V88 WeakPolarHBondContact O-CB 3.3Å; L84-V88 VanDerWaalsContact O-CG2 3.24Å; L84-V88 WeakPolarHBondContact O-CG2 3.41Å; L84-V88 PolarHBondContact O-N 2.97Å
85	F	63	Low	59.7	Low	69 Å²	69	80.4 Å²	80.4	30%	0.303	46%	0.459	S	S	.	.	H	α-helix	trans	-57.7	-49	173	-171	-74	0	0	0	112.1	L43 V81 L82 A89	L43-F85 HydrophobicContact CB-CD2 3.3Å; L43-F85 HydrophobicContact CB-CE2 3.29Å; L43-F85 HydrophobicContact CB-CG 4.35Å; L43-F85 HydrophobicContact CB-CZ 4.39Å; L43-F85 HydrophobicContact CD1-CB 4.26Å; L43-F85 HydrophobicContact CD1-CD1 4.1Å; L43-F85 HydrophobicContact CD1-CD2 3.36Å; L43-F85 HydrophobicContact CD1-CE1 4.2Å; L43-F85 HydrophobicContact CD1-CE2 3.44Å; L43-F85 VanDerWaalsContact CD1-CE2 3.44Å; L43-F85 HydrophobicContact CD1-CG 3.65Å; L43-F85 HydrophobicContact CD1-CZ 3.86Å; L43-F85 HydrophobicContact CD2-CB 3.96Å; L43-F85 HydrophobicContact CD2-CD2 3.75Å; L43-F85 HydrophobicContact CD2-CE2 4.49Å; L43-F85 HydrophobicContact CD2-CG 4.11Å; L43-F85 HydrophobicContact CG-CD2 3.62Å; L43-F85 HydrophobicContact CG-CE2 3.87Å; L43-F85 HydrophobicContact CG-CG 4.24Å; V81-F85 VanDerWaalsContact O-CB 3.27Å; V81-F85 WeakPolarHBondContact O-CB 3.42Å; V81-F85 PolarHBondContact O-N 3.45Å; L82-F85 WeakPolarHBondContact O-CB 3.16Å; L82-F85 PolarHBondContact O-N 2.79Å; F85-A89 WeakPolarHBondContact O-CB 3.31Å; F85-A89 PolarHBondContact O-N 3.5Å; F85-A89 VanDerWaalsContact O-N 3.1Å
86	V	65.4	Low	58.5	Low	89 Å²	89	80.7 Å²	80.7	54%	0.539	46%	0.464	S	S	.	.	H	α-helix	trans	-69.1	-37.5	177.5	174.1	0	0	0	0	111.4	L82 A89 W90	L82-V86 VanDerWaalsContact O-CG2 3.29Å; L82-V86 WeakPolarHBondContact O-CG2 3.29Å; L82-V86 PolarHBondContact O-N 2.99Å; V86-A89 PolarHBondContact O-N 2.92Å; V86-W90 WeakPolarHBondContact O-CB 3.47Å; V86-W90 PolarHBondContact O-N 3.27Å
87	Y	56.8	Low	57.3	Low	145 Å²	145	82.9 Å²	82.9	57%	0.569	47%	0.472	S	S	*	.	H	α-helix	trans	-66.5	-40.8	177	178.4	-101.2	0	0	0	112.5	A83 L84 W90 N91	A83-Y87 WeakPolarHBondContact O-CB 3.47Å; A83-Y87 PolarHBondContact O-N 3.38Å; L84-Y87 PolarHBondContact O-N 3.45Å; Y87-W90 CarbonylContact O-C 3.56Å; Y87-W90 WeakPolarHBondContact O-CB 3.24Å; Y87-W90 PolarHBondContact O-N 3.29Å; Y87-N91 HydrophobicContact CE1-CB 4.43Å; Y87-N91 WeakPolarHBondContact O-CB 3.5Å; Y87-N91 PolarHBondContact O-N 3.37Å
88	V	55.1	Low	56.5	Low	40 Å²	40	89.5 Å²	89.5	24%	0.242	50%	0.496	C	S	.	.	H	α-helix	trans	-67.5	-42.5	176.6	168.8	0	0	0	0	110.5	M39 L43 L84 W90 N91 E92	M39-V88 HydrophobicContact CE-CG1 4.29Å; L43-V88 HydrophobicContact CD1-CB 4.46Å; L43-V88 HydrophobicContact CD1-CG1 4.28Å; L84-V88 WeakPolarHBondContact O-CB 3.3Å; L84-V88 VanDerWaalsContact O-CG2 3.24Å; L84-V88 WeakPolarHBondContact O-CG2 3.41Å; L84-V88 PolarHBondContact O-N 2.97Å; V88-W90 PolarHBondContact O-N 2.8Å; V88-N91 PolarHBondContact O-N 2.81Å; V88-N91 VanDerWaalsContact O-N 3.11Å; V88-E92 WeakPolarHBondContact CG1-OE2 3.1Å; V88-E92 PolarHBondContact O-N 3.46Å
89	A	59.4	Low	55.5	Low	43 Å²	43	89.1 Å²	89.1	36%	0.355	49%	0.494	S	S	.	.	H	α-helix	trans	-59.6	-34.4	171.2	0	0	0	0	0	112.8	M39 F85 V86 G93	M39-A89 HydrophobicContact CE-CB 4.47Å; M39-A89 HydrophobicContact SD-CB 4.03Å; F85-A89 WeakPolarHBondContact O-CB 3.31Å; F85-A89 PolarHBondContact O-N 3.5Å; F85-A89 VanDerWaalsContact O-N 3.1Å; V86-A89 PolarHBondContact O-N 2.92Å; A89-G93 PolarHBondContact O-N 3.5Å
90	W	50.6	Low	54.3	Low	179 Å²	179	93.6 Å²	93.6	68%	0.678	51%	0.506	S	S	*	.	H	α-helix	trans	-75.5	-39.9	172.9	-160.1	-62.3	0	0	0	112.2	V86 Y87 V88 G93 T94	V86-W90 WeakPolarHBondContact O-CB 3.47Å; V86-W90 PolarHBondContact O-N 3.27Å; Y87-W90 CarbonylContact O-C 3.56Å; Y87-W90 WeakPolarHBondContact O-CB 3.24Å; Y87-W90 PolarHBondContact O-N 3.29Å; V88-W90 PolarHBondContact O-N 2.8Å; W90-G93 CarbonylContact O-C 3.53Å; W90-G93 PolarHBondContact O-N 3.48Å; W90-T94 WeakPolarHBondContact O-CB 3.23Å; W90-T94 PolarHBondContact O-N 2.9Å; W90-T94 PolarHBondContact O-OG1 2.93Å
91	N	52.8	Low	53.5	Low	77 Å²	77	100 Å²	100	41%	0.412	53%	0.531	S	S	.	.	H	α-helix	trans	-70.7	-33.2	-176.4	-171.6	55.2	0	0	0	112.2	Y87 V88 G95	Y87-N91 HydrophobicContact CE1-CB 4.43Å; Y87-N91 WeakPolarHBondContact O-CB 3.5Å; Y87-N91 PolarHBondContact O-N 3.37Å; V88-N91 PolarHBondContact O-N 2.81Å; V88-N91 VanDerWaalsContact O-N 3.11Å; N91-G95 WeakPolarHBondContact O-CA 3.5Å; N91-G95 PolarHBondContact O-N 3.21Å
92	E	52.3	Low	52.9	Low	81 Å²	81	100.7 Å²	100.7	38%	0.379	55%	0.546	S	S	.	.	H	α-helix	trans	-85.9	-20	172.2	-72.5	139.3	174.6	0	0	112.9	F35 M39 V88	F35-E92 HydrophobicContact CE1-CB 3.71Å; F35-E92 HydrophobicContact CE1-CG 4.27Å; F35-E92 HydrophobicContact CZ-CB 3.6Å; F35-E92 HydrophobicContact CZ-CG 3.68Å; M39-E92 HydrophobicContact CE-CB 4.3Å; M39-E92 WeakPolarHBondContact CE-OE2 2.99Å; V88-E92 WeakPolarHBondContact CG1-OE2 3.1Å; V88-E92 PolarHBondContact O-N 3.46Å
93	G	49	Very low	52.4	Low	55 Å²	55	105.9 Å²	105.9	57%	0.567	56%	0.564	S	S	*	*	H	α-helix	trans	-78.3	-19.2	168	0	0	0	0	0	114.8	A89 W90	A89-G93 PolarHBondContact O-N 3.5Å; W90-G93 CarbonylContact O-C 3.53Å; W90-G93 PolarHBondContact O-N 3.48Å
94	T	46.1	Very low	52	Low	82 Å²	82	111.5 Å²	111.5	50%	0.503	58%	0.58	S	S	.	*	H	α-helix	trans	-114.9	-16.9	179.3	51.9	0	0	0	0	114	W90	W90-T94 WeakPolarHBondContact O-CB 3.23Å; W90-T94 PolarHBondContact O-N 2.9Å; W90-T94 PolarHBondContact O-OG1 2.93Å
95	G	44.4	Very low	51	Low	57 Å²	57	118.1 Å²	118.1	59%	0.588	62%	0.616	S	S	*	*	H	α-helix	trans	-79.5	-20.8	172.8	0	0	0	0	0	114.3	N91 H97	N91-G95 WeakPolarHBondContact O-CA 3.5Å; N91-G95 PolarHBondContact O-N 3.21Å; G95-H97 PolarHBondContact O-N 3.04Å
96	S	43.2	Very low	50.4	Low	84 Å²	84	120.6 Å²	120.6	59%	0.587	63%	0.632	S	S	*	*			trans	-80	59.2	158.3	73.3	0	0	0	0	109.6	Q98	S96-Q98 PolarHBondContact O-N 2.8Å
97	H	44.4	Very low	49.6	Very low	143 Å²	143	122.3 Å²	122.3	66%	0.662	64%	0.637	S	S	*	*			trans	-55	69.8	138.4	-167	-111	0	0	0	107.7	G95 T99	G95-H97 PolarHBondContact O-N 3.04Å; H97-T99 PolarHBondContact CD2-OG1 2.96Å; H97-T99 WeakPolarHBondContact CE1-CB 3.34Å; H97-T99 PolarHBondContact CE1-OG1 2.9Å; H97-T99 VanDerWaalsContact ND1-CB 3.32Å; H97-T99 WeakPolarHBondContact ND1-CB 3.2Å; H97-T99 PolarHBondContact ND1-OG1 3.48Å; H97-T99 PolarHBondContact NE2-OG1 3.38Å; H97-T99 PolarHBondContact O-N 2.73Å
98	Q	48.7	Very low	49.2	Very low	181 Å²	181	121 Å²	121	85%	0.846	64%	0.64	S	S	*	*			trans	-67	71	137.9	-87.2	-172.9	-18.7	0	0	105.2	S96 R100	S96-Q98 PolarHBondContact O-N 2.8Å; Q98-R100 PolarHBondContact O-N 3.45Å
99	T	43.6	Very low	48.9	Very low	72 Å²	72	125.8 Å²	125.8	44%	0.442	66%	0.664	S	S	.	*			trans	-58.7	106.1	154.7	-103.4	0	0	0	0	104.9	H97 E101	H97-T99 PolarHBondContact CD2-OG1 2.96Å; H97-T99 WeakPolarHBondContact CE1-CB 3.34Å; H97-T99 PolarHBondContact CE1-OG1 2.9Å; H97-T99 VanDerWaalsContact ND1-CB 3.32Å; H97-T99 WeakPolarHBondContact ND1-CB 3.2Å; H97-T99 PolarHBondContact ND1-OG1 3.48Å; H97-T99 PolarHBondContact NE2-OG1 3.38Å; H97-T99 PolarHBondContact O-N 2.73Å; T99-E101 PolarHBondContact O-N 3.26Å
100	R	48.1	Very low	48.2	Very low	210 Å²	210	130.9 Å²	130.9	79%	0.792	68%	0.683	S	S	*	*			trans	46.2	79	132	-48.1	170.1	70.6	89.6	1.9	111.3	Q98 G102	Q98-R100 PolarHBondContact O-N 3.45Å; R100-G102 PolarHBondContact O-N 3.02Å
101	E	48.8	Very low	48.1	Very low	211 Å²	211	127.7 Å²	127.7	99%	0.986	68%	0.684	S	S	*	*			trans	-71.6	68.3	144.3	-162.3	-170.8	136.3	0	0	107	T99	T99-E101 PolarHBondContact O-N 3.26Å
102	G	50.1	Low	47.7	Very low	54 Å²	54	131.4 Å²	131.4	56%	0.557	70%	0.703	S	S	*	*			trans	-110.9	103.7	169	0	0	0	0	0	106.2	R100	R100-G102 PolarHBondContact O-N 3.02Å
103	K	55	Low	47.4	Very low	202 Å²	202	135.2 Å²	135.2	88%	0.878	73%	0.728	S	S	*	*			trans	65.1	101.8	164.4	-67.1	177.9	164.6	-174.8	0	117.1
104	Q	51.3	Low	47.2	Very low	181 Å²	181	141.9 Å²	141.9	85%	0.846	74%	0.741	S	S	*	*			trans	-150.8	116.2	138.2	-67.6	-171.2	-32.4	0	0	104.6
105	D	43.1	Very low	47.3	Very low	226 Å²	226	147.4 Å²	147.4	100%	1.209	76%	0.763	S	S	*	*			cis	-155.3	0	8.7	-55.9	-54.8	0	0	0	108

Retrieved 105 of 105 residues in 17.4 ms (Link to these results)

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