A0A087YHY9_POEFO Loading...

Signal peptidase complex subunit 1

Component of the signal peptidase complex (SPC) which catalyzes the cleavage of N-terminal signal sequences from nascent proteins as they are translocated into the lumen of the endoplasmic reticulum. Dispensable for SPC enzymatic activity.

AlphaFold DB (A0A3B3ULE8), UniProt , Accession A0A087YHY9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 102 aa.

						>A0A087YHY9_POEFO|A0A087YHY9
MLSVFKSIPTHMDYKGQKLAEQIFQGIILISAVIGFVYGLIIQQFGWTVYIVLAGFAVSCLLTLPPWPMYRRNPLPWQPVAPEASGEPTQKPQDNTKRKKHK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	44.7	Very low	58.4	Low	222 Å²	222	126.5 Å²	126.5	100%	1.094	68%	0.678	S	S	*	*				0	-13.1	0	-74.6	-154.8	-103.5	0	0	114.8
2	L	54.6	Low	59.9	Low	143 Å²	143	118.8 Å²	118.8	75%	0.749	64%	0.635	S	S	*	*			trans	-92.7	-6.3	176.9	-73.8	158.9	0	0	0	114.8	V4 F5	L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 3.37Å; L2-F5 PolarHBondContact O-N 2.93Å
3	S	53.3	Low	61.8	Low	97 Å²	97	110.6 Å²	110.6	68%	0.678	59%	0.592	S	S	*	*	H	α-helix	trans	-70.3	-25.3	-174.7	-43.5	0	0	0	0	113.8
4	V	59.3	Low	63.4	Low	105 Å²	105	114.6 Å²	114.6	64%	0.636	60%	0.596	S	S	*	*	H	α-helix	trans	-66.2	-44.9	176.7	-176.2	0	0	0	0	110	L2 K6 S7 I8	L2-V4 VanDerWaalsContact C-N 3.31Å; L2-V4 PolarHBondContact O-N 3.37Å; V4-K6 VanDerWaalsContact C-N 3.31Å; V4-K6 PolarHBondContact O-N 3.39Å; V4-S7 PolarHBondContact O-N 3.24Å; V4-S7 VanDerWaalsContact O-N 3.15Å; V4-I8 WeakPolarHBondContact O-CG1 3.41Å
5	F	57.1	Low	64.9	Low	153 Å²	153	115.7 Å²	115.7	67%	0.671	59%	0.594	S	S	*	*	H	α-helix	trans	-63.2	-33.4	-179.4	-72.3	-83.5	0	0	0	113.7	L2 S7 I8	L2-F5 PolarHBondContact O-N 2.93Å; F5-S7 VanDerWaalsContact C-N 3.25Å; F5-S7 PolarHBondContact O-N 3.21Å; F5-I8 HydrophobicContact CD1-CD1 4.22Å; F5-I8 PolarHBondContact O-N 3.44Å
6	K	55.5	Low	66.3	Low	202 Å²	202	108.6 Å²	108.6	88%	0.878	56%	0.559	S	S	*	*	H	α-helix	trans	-72.6	-19.6	179.3	-148.2	175.4	-174.4	-179.6	0	113.1	V4	V4-K6 VanDerWaalsContact C-N 3.31Å; V4-K6 PolarHBondContact O-N 3.39Å
7	S	58.3	Low	67.6	Low	95 Å²	95	108.5 Å²	108.5	66%	0.664	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-3.8	179	180	0	0	0	0	113.2	V4 F5 P9	V4-S7 PolarHBondContact O-N 3.24Å; V4-S7 VanDerWaalsContact O-N 3.15Å; F5-S7 VanDerWaalsContact C-N 3.25Å; F5-S7 PolarHBondContact O-N 3.21Å; S7-P9 WeakPolarHBondContact O-CD 3.42Å
8	I	59.6	Low	68.9	Low	58 Å²	58	109.1 Å²	109.1	30%	0.297	55%	0.553	S	S	.	*	S	Bend	trans	-82.2	112.1	-177.8	-61.6	169.3	0	0	0	108.4	V4 F5 T10 P66	V4-I8 WeakPolarHBondContact O-CG1 3.41Å; F5-I8 HydrophobicContact CD1-CD1 4.22Å; F5-I8 PolarHBondContact O-N 3.44Å; I8-T10 PolarHBondContact O-N 3.1Å; I8-P66 HydrophobicContact CG2-CG 3.58Å
9	P	63.3	Low	70	Confident	68 Å²	68	106.7 Å²	106.7	44%	0.442	54%	0.542	S	S	.	.			trans	-59.9	125.4	169.8	-18.6	34	0	0	0	108.9	S7 H11	S7-P9 WeakPolarHBondContact O-CD 3.42Å; P9-H11 PolarHBondContact O-N 3.36Å
10	T	65.4	Low	71.1	Confident	133 Å²	133	101.8 Å²	101.8	82%	0.816	52%	0.518	S	S	*	.			trans	-75.1	-6.4	-176.5	48.9	0	0	0	0	113.4	I8 M12	I8-T10 PolarHBondContact O-N 3.1Å; T10-M12 PolarHBondContact O-N 3.48Å
11	H	70.9	Confident	72.1	Confident	116 Å²	116	102.4 Å²	102.4	54%	0.537	52%	0.519	S	S	.	.			trans	-84	114.8	-172.8	-172.1	-92.2	0	0	0	112	P9 D13 R71	P9-H11 PolarHBondContact O-N 3.36Å; H11-D13 IonicContact ND1-OD1 3.74Å; H11-R71 WeakPolarHBondContact O-CD 3.31Å; H11-R71 VanDerWaalsContact O-CG 3.31Å; H11-R71 WeakPolarHBondContact O-CG 2.96Å
12	M	77.3	Confident	74.5	Confident	33 Å²	33	97.1 Å²	97.1	16%	0.163	49%	0.492	C	S	.	.			trans	-92.4	129.4	172.4	-163	77.9	88.9	0	0	110.1	T10 Q17 P66 Y70	T10-M12 PolarHBondContact O-N 3.48Å; M12-Q17 HydrophobicContact CB-CG 3.97Å; M12-Q17 HydrophobicContact CG-CG 3.6Å; M12-P66 HydrophobicContact CE-CB 4.23Å; M12-P66 HydrophobicContact SD-CB 4.43Å; M12-Y70 HydrophobicContact CE-CD2 3.81Å; M12-Y70 HydrophobicContact CE-CE2 4.5Å; M12-Y70 HydrophobicContact CE-CG 4.31Å; M12-Y70 WeakPolarHBondContact SD-CB 3.39Å; M12-Y70 HydrophobicContact SD-CD2 3.8Å; M12-Y70 HydrophobicContact SD-CG 3.76Å
13	D	83.8	Confident	76.3	Confident	13 Å²	13	92.8 Å²	92.8	7%	0.07	47%	0.469	C	S	.	.			trans	-69.5	152	175.4	-59.5	-20.1	0	0	0	110.5	H11 K15 G16 Q17 R71 R72 N73	H11-D13 IonicContact ND1-OD1 3.74Å; D13-K15 VanDerWaalsContact C-N 3.3Å; D13-K15 PolarHBondContact O-N 3.23Å; D13-G16 CarbonylContact O-C 3.51Å; D13-G16 VanDerWaalsContact O-CA 3.28Å; D13-G16 WeakPolarHBondContact O-CA 3.38Å; D13-G16 PolarHBondContact O-N 2.99Å; D13-Q17 PolarHBondContact O-N 3.38Å; D13-R71 WeakPolarHBondContact OD2-CA 3.41Å; D13-R72 PolarHBondContact OD2-N 3.33Å; D13-N73 VanDerWaalsContact OD2-C 3.31Å; D13-N73 WeakPolarHBondContact OD2-CA 3.45Å; D13-N73 PolarHBondContact OD2-N 3.38Å
14	Y	84.8	Confident	78.3	Confident	167 Å²	167	91.1 Å²	91.1	66%	0.655	45%	0.45	S	S	*	.	H	α-helix	trans	-54.3	-43.8	177.4	176.1	-104.8	0	0	0	113.2	G16 Q17 K18	Y14-G16 VanDerWaalsContact C-N 3.28Å; Y14-G16 PolarHBondContact O-N 3.02Å; Y14-Q17 PolarHBondContact O-N 2.94Å; Y14-K18 PolarHBondContact O-N 3.38Å; Y14-K18 VanDerWaalsContact O-N 3.15Å
15	K	85.3	Confident	80.1	Confident	130 Å²	130	91.2 Å²	91.2	57%	0.565	44%	0.443	S	S	*	.	H	α-helix	trans	-64.7	-34.8	174.2	-70.5	-178.8	-175.1	175.2	0	112.1	D13 L19 N73	D13-K15 VanDerWaalsContact C-N 3.3Å; D13-K15 PolarHBondContact O-N 3.23Å; K15-L19 PolarHBondContact O-N 2.99Å; K15-L19 VanDerWaalsContact O-N 3.07Å; K15-N73 HydrophobicContact CD-CB 4Å; K15-N73 VanDerWaalsContact CD-CG 3.49Å; K15-N73 WeakPolarHBondContact CD-OD1 3.36Å; K15-N73 PolarHBondContact NZ-OD1 3.4Å
16	G	87.2	Confident	81.9	Confident	3 Å²	3	85.2 Å²	85.2	3%	0.031	43%	0.425	C	S	.	.	H	α-helix	trans	-65.1	-43	175.3	0	0	0	0	0	112.4	D13 Y14 L19 A20 Y70	D13-G16 CarbonylContact O-C 3.51Å; D13-G16 VanDerWaalsContact O-CA 3.28Å; D13-G16 WeakPolarHBondContact O-CA 3.38Å; D13-G16 PolarHBondContact O-N 2.99Å; Y14-G16 VanDerWaalsContact C-N 3.28Å; Y14-G16 PolarHBondContact O-N 3.02Å; G16-L19 PolarHBondContact O-N 3.33Å; G16-A20 WeakPolarHBondContact O-CB 3.43Å; G16-A20 PolarHBondContact O-N 2.79Å; G16-Y70 VanDerWaalsContact CA-O 3.29Å; G16-Y70 WeakPolarHBondContact CA-O 3.47Å; G16-Y70 WeakPolarHBondContact O-CD1 3.21Å
17	Q	89.1	Confident	83.8	Confident	107 Å²	107	77.5 Å²	77.5	50%	0.5	39%	0.393	S	S	.	.	H	α-helix	trans	-59.4	-47.6	174.5	-68.3	-179.8	3.9	0	0	111.5	M12 D13 Y14 L19 A20 E21	M12-Q17 HydrophobicContact CB-CG 3.97Å; M12-Q17 HydrophobicContact CG-CG 3.6Å; D13-Q17 PolarHBondContact O-N 3.38Å; Y14-Q17 PolarHBondContact O-N 2.94Å; Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 3.42Å; Q17-A20 PolarHBondContact O-N 3.38Å; Q17-E21 PolarHBondContact O-N 3.26Å
18	K	90.8	Very high	85.7	Confident	118 Å²	118	75 Å²	75	51%	0.513	37%	0.371	S	S	.	.	H	α-helix	trans	-59.5	-41.7	176.4	-176.5	174.3	-178.1	175.7	0	112.2	Y14 E21 Q22	Y14-K18 PolarHBondContact O-N 3.38Å; Y14-K18 VanDerWaalsContact O-N 3.15Å; K18-E21 PolarHBondContact O-N 3.44Å; K18-Q22 WeakPolarHBondContact O-CG 3.47Å; K18-Q22 PolarHBondContact O-N 3.31Å
19	L	90.3	Very high	87.5	Confident	64 Å²	64	77.8 Å²	77.8	34%	0.335	39%	0.386	S	S	.	.	H	α-helix	trans	-65.6	-43.6	177.3	-175.7	66.6	0	0	0	111.5	K15 G16 Q17 E21 Q22 I23 Y70	K15-L19 PolarHBondContact O-N 2.99Å; K15-L19 VanDerWaalsContact O-N 3.07Å; G16-L19 PolarHBondContact O-N 3.33Å; Q17-L19 VanDerWaalsContact C-N 3.31Å; Q17-L19 PolarHBondContact O-N 3.42Å; L19-E21 VanDerWaalsContact C-N 3.29Å; L19-E21 PolarHBondContact O-N 2.85Å; L19-Q22 PolarHBondContact O-N 3.25Å; L19-I23 HydrophobicContact CD1-CD1 4.32Å; L19-I23 HydrophobicContact CG-CD1 3.94Å; L19-I23 WeakPolarHBondContact O-CG1 3.46Å; L19-I23 PolarHBondContact O-N 2.87Å; L19-Y70 HydrophobicContact CB-CD1 4.18Å; L19-Y70 HydrophobicContact CB-CE1 4.16Å; L19-Y70 HydrophobicContact CD2-CD1 3.93Å; L19-Y70 HydrophobicContact CD2-CE1 3.91Å; L19-Y70 HydrophobicContact CG-CD1 4.26Å; L19-Y70 HydrophobicContact CG-CE1 3.94Å
20	A	91.9	Very high	89.1	Confident	9 Å²	9	79.7 Å²	79.7	7%	0.074	39%	0.391	C	S	.	.	H	α-helix	trans	-59.5	-41.6	176.9	0	0	0	0	0	111.1	G16 Q17 I23 F24 T63 Y70	G16-A20 WeakPolarHBondContact O-CB 3.43Å; G16-A20 PolarHBondContact O-N 2.79Å; Q17-A20 PolarHBondContact O-N 3.38Å; A20-I23 PolarHBondContact O-N 3.39Å; A20-F24 WeakPolarHBondContact O-CB 3.32Å; A20-F24 PolarHBondContact O-N 3.43Å; A20-T63 HydrophobicContact CB-CG2 4.43Å; A20-T63 WeakPolarHBondContact O-CG2 3.28Å; A20-Y70 HydrophobicContact CB-CD1 4.3Å; A20-Y70 HydrophobicContact CB-CE1 3.84Å; A20-Y70 HydrophobicContact CB-CE2 4.16Å
21	E	92.5	Very high	90.5	Very high	115 Å²	115	73.9 Å²	73.9	54%	0.537	36%	0.357	S	S	.	.	H	α-helix	trans	-65	-44	175.8	-170.7	-179.5	175.5	0	0	112.3	Q17 K18 L19 I23 F24 Q25	Q17-E21 PolarHBondContact O-N 3.26Å; K18-E21 PolarHBondContact O-N 3.44Å; L19-E21 VanDerWaalsContact C-N 3.29Å; L19-E21 PolarHBondContact O-N 2.85Å; E21-I23 VanDerWaalsContact C-N 3.32Å; E21-I23 PolarHBondContact O-N 3.01Å; E21-F24 WeakPolarHBondContact O-CB 3.38Å; E21-F24 PolarHBondContact O-N 3.49Å; E21-Q25 HydrophobicContact CG-CG 4.49Å; E21-Q25 WeakPolarHBondContact O-CG 3.22Å; E21-Q25 PolarHBondContact O-N 2.89Å; E21-Q25 PolarHBondContact OE1-NE2 3.4Å; E21-Q25 VanDerWaalsContact OE1-NE2 3.08Å
22	Q	94	Very high	91.7	Very high	110 Å²	110	70.2 Å²	70.2	51%	0.514	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-41.4	176.5	-74.8	179.6	-35.9	0	0	112.1	K18 L19 G26	K18-Q22 WeakPolarHBondContact O-CG 3.47Å; K18-Q22 PolarHBondContact O-N 3.31Å; L19-Q22 PolarHBondContact O-N 3.25Å; Q22-G26 PolarHBondContact O-N 3.33Å
23	I	93.6	Very high	92.7	Very high	53 Å²	53	72.8 Å²	72.8	27%	0.272	36%	0.364	S	S	.	.	H	α-helix	trans	-66.1	-44.3	176.3	-69	168	0	0	0	110.2	L19 A20 E21 G26 I27 T63 Y70	L19-I23 HydrophobicContact CD1-CD1 4.32Å; L19-I23 HydrophobicContact CG-CD1 3.94Å; L19-I23 WeakPolarHBondContact O-CG1 3.46Å; L19-I23 PolarHBondContact O-N 2.87Å; A20-I23 PolarHBondContact O-N 3.39Å; E21-I23 VanDerWaalsContact C-N 3.32Å; E21-I23 PolarHBondContact O-N 3.01Å; I23-G26 PolarHBondContact O-N 3.06Å; I23-I27 HydrophobicContact CG2-CD1 3.6Å; I23-I27 HydrophobicContact CG2-CG1 4.35Å; I23-I27 VanDerWaalsContact O-CG1 3.25Å; I23-I27 WeakPolarHBondContact O-CG1 3.41Å; I23-I27 PolarHBondContact O-N 2.93Å; I23-T63 HydrophobicContact CB-CG2 4.32Å; I23-T63 HydrophobicContact CG2-CG2 4.11Å; I23-Y70 HydrophobicContact CD1-CE1 4.02Å; I23-Y70 WeakPolarHBondContact CD1-OH 3.18Å
24	F	95.1	Very high	93.2	Very high	62 Å²	62	76.8 Å²	76.8	27%	0.272	38%	0.384	S	S	.	.	H	α-helix	trans	-57.2	-54.3	177.1	-176.9	-93.1	0	0	0	111.4	A20 E21 G26 I27 I28 F56 S59 T63	A20-F24 WeakPolarHBondContact O-CB 3.32Å; A20-F24 PolarHBondContact O-N 3.43Å; E21-F24 WeakPolarHBondContact O-CB 3.38Å; E21-F24 PolarHBondContact O-N 3.49Å; F24-G26 VanDerWaalsContact C-N 3.32Å; F24-G26 PolarHBondContact O-N 3.35Å; F24-I27 PolarHBondContact O-N 3.41Å; F24-I28 HydrophobicContact CD1-CG1 4.2Å; F24-I28 HydrophobicContact CE1-CG1 3.85Å; F24-I28 HydrophobicContact CE2-CG1 4.38Å; F24-I28 HydrophobicContact CZ-CD1 4.29Å; F24-I28 HydrophobicContact CZ-CG1 3.95Å; F24-I28 VanDerWaalsContact O-CG1 3.3Å; F24-I28 WeakPolarHBondContact O-CG1 3.16Å; F24-I28 PolarHBondContact O-N 3.48Å; F24-F56 HydrophobicContact CE2-CD2 4Å; F24-F56 HydrophobicContact CE2-CE2 4.02Å; F24-F56 AromaticContact CZ-CD2 3.77Å; F24-F56 HydrophobicContact CZ-CD2 3.77Å; F24-F56 AromaticContact CZ-CE2 3.78Å; F24-F56 HydrophobicContact CZ-CE2 3.78Å; F24-S59 WeakPolarHBondContact CD2-OG 3.3Å; F24-S59 WeakPolarHBondContact CE2-OG 3.07Å; F24-T63 HydrophobicContact CB-CG2 4.03Å
25	Q	95.6	Very high	93.7	Very high	106 Å²	106	68.8 Å²	68.8	50%	0.495	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-42.1	179.8	-69.8	176.2	4.8	0	0	111.4	E21 I28 L29	E21-Q25 HydrophobicContact CG-CG 4.49Å; E21-Q25 WeakPolarHBondContact O-CG 3.22Å; E21-Q25 PolarHBondContact O-N 2.89Å; E21-Q25 PolarHBondContact OE1-NE2 3.4Å; E21-Q25 VanDerWaalsContact OE1-NE2 3.08Å; Q25-I28 PolarHBondContact O-N 3.45Å; Q25-L29 VanDerWaalsContact O-CB 3.24Å; Q25-L29 WeakPolarHBondContact O-CB 3.29Å; Q25-L29 PolarHBondContact O-N 2.91Å
26	G	96.6	Very high	94.2	Very high	28 Å²	28	68 Å²	68	29%	0.289	35%	0.349	S	S	.	.	H	α-helix	trans	-60	-47.4	177.4	0	0	0	0	0	112.8	Q22 I23 F24 L29 I30	Q22-G26 PolarHBondContact O-N 3.33Å; I23-G26 PolarHBondContact O-N 3.06Å; F24-G26 VanDerWaalsContact C-N 3.32Å; F24-G26 PolarHBondContact O-N 3.35Å; G26-L29 PolarHBondContact O-N 3.48Å; G26-I30 WeakPolarHBondContact O-CB 3.45Å; G26-I30 WeakPolarHBondContact O-CD1 3.28Å; G26-I30 WeakPolarHBondContact O-CG1 3.25Å; G26-I30 PolarHBondContact O-N 3.3Å
27	I	95.7	Very high	94.6	Very high	40 Å²	40	71.6 Å²	71.6	21%	0.205	37%	0.37	C	S	.	.	H	α-helix	trans	-64.5	-46.6	179.7	-65.8	164.7	0	0	0	110.9	I23 F24 L29 I30 S31 G55 L62	I23-I27 HydrophobicContact CG2-CD1 3.6Å; I23-I27 HydrophobicContact CG2-CG1 4.35Å; I23-I27 VanDerWaalsContact O-CG1 3.25Å; I23-I27 WeakPolarHBondContact O-CG1 3.41Å; I23-I27 PolarHBondContact O-N 2.93Å; F24-I27 PolarHBondContact O-N 3.41Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.04Å; I27-I30 PolarHBondContact O-N 2.89Å; I27-S31 WeakPolarHBondContact O-CB 3.29Å; I27-S31 PolarHBondContact O-N 3.38Å; I27-S31 PolarHBondContact O-OG 3.02Å; I27-G55 WeakPolarHBondContact CG2-O 3.39Å; I27-L62 HydrophobicContact CD1-CD1 3.7Å
28	I	96.4	Very high	94.9	Very high	41 Å²	41	71.3 Å²	71.3	21%	0.21	37%	0.365	C	S	.	.	H	α-helix	trans	-63.4	-41.1	179.8	-65.4	-63.7	0	0	0	111.3	F24 Q25 S31 A32 F56	F24-I28 HydrophobicContact CD1-CG1 4.2Å; F24-I28 HydrophobicContact CE1-CG1 3.85Å; F24-I28 HydrophobicContact CE2-CG1 4.38Å; F24-I28 HydrophobicContact CZ-CD1 4.29Å; F24-I28 HydrophobicContact CZ-CG1 3.95Å; F24-I28 VanDerWaalsContact O-CG1 3.3Å; F24-I28 WeakPolarHBondContact O-CG1 3.16Å; F24-I28 PolarHBondContact O-N 3.48Å; Q25-I28 PolarHBondContact O-N 3.45Å; I28-S31 PolarHBondContact O-N 2.89Å; I28-S31 PolarHBondContact O-OG 3.34Å; I28-A32 VanDerWaalsContact O-CB 3.24Å; I28-A32 WeakPolarHBondContact O-CB 3.38Å; I28-A32 PolarHBondContact O-N 2.99Å; I28-F56 VanDerWaalsContact CD1-CA 3.48Å; I28-F56 HydrophobicContact CD1-CB 3.72Å; I28-F56 HydrophobicContact CD1-CD2 4.09Å; I28-F56 HydrophobicContact CD1-CG 4.42Å
29	L	97.4	Very high	95	Very high	118 Å²	118	65.7 Å²	65.7	62%	0.618	34%	0.341	S	S	*	.	H	α-helix	trans	-65	-45.2	178.7	-176.1	66	0	0	0	111.1	Q25 G26 I27 A32 V33	Q25-L29 VanDerWaalsContact O-CB 3.24Å; Q25-L29 WeakPolarHBondContact O-CB 3.29Å; Q25-L29 PolarHBondContact O-N 2.91Å; G26-L29 PolarHBondContact O-N 3.48Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.04Å; L29-A32 PolarHBondContact O-N 3.47Å; L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 2.96Å
30	I	97.3	Very high	95.2	Very high	107 Å²	107	67 Å²	67	55%	0.549	35%	0.348	S	S	.	.	H	α-helix	trans	-63.3	-45	177.8	-68.3	166.1	0	0	0	110.6	G26 I27 A32 V33 I34	G26-I30 WeakPolarHBondContact O-CB 3.45Å; G26-I30 WeakPolarHBondContact O-CD1 3.28Å; G26-I30 WeakPolarHBondContact O-CG1 3.25Å; G26-I30 PolarHBondContact O-N 3.3Å; I27-I30 PolarHBondContact O-N 2.89Å; I30-A32 VanDerWaalsContact C-N 3.31Å; I30-A32 PolarHBondContact O-N 3.32Å; I30-V33 PolarHBondContact O-N 2.95Å; I30-I34 HydrophobicContact CG2-CD1 3.67Å; I30-I34 HydrophobicContact CG2-CG1 4.42Å; I30-I34 WeakPolarHBondContact O-CG1 3.24Å; I30-I34 PolarHBondContact O-N 3.1Å
31	S	96.2	Very high	95.4	Very high	12 Å²	12	72.7 Å²	72.7	8%	0.084	38%	0.376	C	S	.	.	H	α-helix	trans	-65.4	-35.3	178.2	70.6	0	0	0	0	112.1	I27 I28 G35	I27-S31 WeakPolarHBondContact O-CB 3.29Å; I27-S31 PolarHBondContact O-N 3.38Å; I27-S31 PolarHBondContact O-OG 3.02Å; I28-S31 PolarHBondContact O-N 2.89Å; I28-S31 PolarHBondContact O-OG 3.34Å; S31-G35 WeakPolarHBondContact O-CA 3.24Å; S31-G35 PolarHBondContact O-N 3.27Å
32	A	95.4	Very high	95.5	Very high	39 Å²	39	70.3 Å²	70.3	32%	0.322	37%	0.366	S	S	.	.	H	α-helix	trans	-64.9	-44.6	174.4	0	0	0	0	0	112.2	I28 L29 I30 F36 V52	I28-A32 VanDerWaalsContact O-CB 3.24Å; I28-A32 WeakPolarHBondContact O-CB 3.38Å; I28-A32 PolarHBondContact O-N 2.99Å; L29-A32 PolarHBondContact O-N 3.47Å; I30-A32 VanDerWaalsContact C-N 3.31Å; I30-A32 PolarHBondContact O-N 3.32Å; A32-F36 WeakPolarHBondContact O-CB 3.46Å; A32-F36 PolarHBondContact O-N 3.43Å; A32-V52 HydrophobicContact CB-CG2 4.18Å
33	V	97.3	Very high	95.4	Very high	87 Å²	87	73 Å²	73	53%	0.527	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-48.7	177.5	173.2	0	0	0	0	111.1	L29 I30 F36 V37	L29-V33 WeakPolarHBondContact O-CG2 3.44Å; L29-V33 PolarHBondContact O-N 2.96Å; I30-V33 PolarHBondContact O-N 2.95Å; V33-F36 PolarHBondContact O-N 3.36Å; V33-V37 WeakPolarHBondContact O-CG2 3.19Å; V33-V37 PolarHBondContact O-N 3.4Å
34	I	95.9	Very high	95.1	Very high	96 Å²	96	76.2 Å²	76.2	49%	0.492	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-47.5	178.5	-66.5	170.2	0	0	0	110.3	I30 F36 V37 Y38	I30-I34 HydrophobicContact CG2-CD1 3.67Å; I30-I34 HydrophobicContact CG2-CG1 4.42Å; I30-I34 WeakPolarHBondContact O-CG1 3.24Å; I30-I34 PolarHBondContact O-N 3.1Å; I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 PolarHBondContact O-N 3.14Å; I34-V37 PolarHBondContact O-N 3.47Å; I34-Y38 VanDerWaalsContact O-CB 3.29Å; I34-Y38 WeakPolarHBondContact O-CB 3.36Å; I34-Y38 PolarHBondContact O-N 2.8Å
35	G	95.4	Very high	94.8	Very high	0 Å²	0	79.5 Å²	79.5	0%	0	41%	0.407	C	S	.	.	H	α-helix	trans	-57.1	-47.3	178.2	0	0	0	0	0	111.2	S31 Y38 G39 T48	S31-G35 WeakPolarHBondContact O-CA 3.24Å; S31-G35 PolarHBondContact O-N 3.27Å; G35-Y38 PolarHBondContact O-N 3.12Å; G35-G39 PolarHBondContact O-N 3.46Å; G35-T48 VanDerWaalsContact O-CG2 3.29Å; G35-T48 WeakPolarHBondContact O-CG2 3.34Å
36	F	94.7	Very high	94.6	Very high	113 Å²	113	76.2 Å²	76.2	50%	0.496	40%	0.402	S	S	.	.	H	α-helix	trans	-60.4	-51.2	178.3	-176.6	-106.8	0	0	0	112.5	A32 V33 I34 Y38 G39 L40	A32-F36 WeakPolarHBondContact O-CB 3.46Å; A32-F36 PolarHBondContact O-N 3.43Å; V33-F36 PolarHBondContact O-N 3.36Å; I34-F36 VanDerWaalsContact C-N 3.32Å; I34-F36 PolarHBondContact O-N 3.14Å; F36-Y38 VanDerWaalsContact C-N 3.31Å; F36-Y38 PolarHBondContact O-N 3.28Å; F36-G39 PolarHBondContact O-N 3.3Å; F36-L40 HydrophobicContact CD1-CD1 4Å; F36-L40 HydrophobicContact CE1-CD1 3.51Å; F36-L40 HydrophobicContact CE1-CG 4.26Å; F36-L40 HydrophobicContact CE2-CG 4.5Å; F36-L40 HydrophobicContact CZ-CD1 3.81Å; F36-L40 HydrophobicContact CZ-CD2 4.34Å; F36-L40 HydrophobicContact CZ-CG 4.23Å; F36-L40 WeakPolarHBondContact O-CG 3.32Å; F36-L40 PolarHBondContact O-N 3.46Å
37	V	95.8	Very high	94.4	Very high	78 Å²	78	80.9 Å²	80.9	47%	0.473	41%	0.411	S	S	.	.	H	α-helix	trans	-59.1	-44.1	178	173.4	0	0	0	0	111	V33 I34 L40 I41	V33-V37 WeakPolarHBondContact O-CG2 3.19Å; V33-V37 PolarHBondContact O-N 3.4Å; I34-V37 PolarHBondContact O-N 3.47Å; V37-L40 PolarHBondContact O-N 3.28Å; V37-I41 HydrophobicContact CG1-CD1 4.22Å; V37-I41 WeakPolarHBondContact O-CG1 3.03Å; V37-I41 PolarHBondContact O-N 3.01Å
38	Y	94.6	Very high	94.4	Very high	101 Å²	101	80 Å²	80	40%	0.396	41%	0.408	S	S	.	.	H	α-helix	trans	-65.1	-43.2	179.6	-170	-99.2	0	0	0	112.6	I34 G35 F36 L40 I41 I42 W47 I51	I34-Y38 VanDerWaalsContact O-CB 3.29Å; I34-Y38 WeakPolarHBondContact O-CB 3.36Å; I34-Y38 PolarHBondContact O-N 2.8Å; G35-Y38 PolarHBondContact O-N 3.12Å; F36-Y38 VanDerWaalsContact C-N 3.31Å; F36-Y38 PolarHBondContact O-N 3.28Å; Y38-L40 VanDerWaalsContact C-N 3.31Å; Y38-L40 PolarHBondContact O-N 2.9Å; Y38-I41 PolarHBondContact O-N 3.39Å; Y38-I42 HydrophobicContact CD1-CD1 4.05Å; Y38-I42 HydrophobicContact CE1-CD1 3.29Å; Y38-I42 HydrophobicContact CE1-CG1 4.23Å; Y38-I42 HydrophobicContact CE2-CD1 4.19Å; Y38-I42 PolarHBondContact O-N 3.37Å; Y38-I42 VanDerWaalsContact O-N 3.1Å; Y38-I42 WeakPolarHBondContact OH-CD1 3.18Å; Y38-W47 HydrophobicContact CD1-CB 4.07Å; Y38-W47 HydrophobicContact CE1-CB 4.18Å; Y38-W47 HydrophobicContact CE1-CD2 4.24Å; Y38-W47 HydrophobicContact CE1-CE3 4.3Å; Y38-W47 HydrophobicContact CE1-CG 4.2Å; Y38-I51 HydrophobicContact CD1-CD1 3.59Å; Y38-I51 HydrophobicContact CE1-CD1 4.31Å; Y38-I51 HydrophobicContact CG-CD1 3.94Å
39	G	94.5	Very high	94.3	Very high	1 Å²	1	82.1 Å²	82.1	1%	0.01	42%	0.422	C	S	.	.	H	α-helix	trans	-67.6	-30.2	177.2	0	0	0	0	0	113.7	G35 F36 Q43 Q44	G35-G39 PolarHBondContact O-N 3.46Å; F36-G39 PolarHBondContact O-N 3.3Å; G39-Q43 WeakPolarHBondContact O-CA 3.48Å; G39-Q43 PolarHBondContact O-N 2.96Å; G39-Q44 PolarHBondContact O-N 2.87Å
40	L	94.4	Very high	94.2	Very high	90 Å²	90	84 Å²	84	47%	0.471	42%	0.422	S	S	.	.	H	α-helix	trans	-64.7	-41.6	171.5	-73.1	-179.9	0	0	0	111.8	F36 V37 Y38 Q43	F36-L40 HydrophobicContact CD1-CD1 4Å; F36-L40 HydrophobicContact CE1-CD1 3.51Å; F36-L40 HydrophobicContact CE1-CG 4.26Å; F36-L40 HydrophobicContact CE2-CG 4.5Å; F36-L40 HydrophobicContact CZ-CD1 3.81Å; F36-L40 HydrophobicContact CZ-CD2 4.34Å; F36-L40 HydrophobicContact CZ-CG 4.23Å; F36-L40 WeakPolarHBondContact O-CG 3.32Å; F36-L40 PolarHBondContact O-N 3.46Å; V37-L40 PolarHBondContact O-N 3.28Å; Y38-L40 VanDerWaalsContact C-N 3.31Å; Y38-L40 PolarHBondContact O-N 2.9Å; L40-Q43 PolarHBondContact O-N 3.37Å
41	I	95	Very high	94.1	Very high	130 Å²	130	81 Å²	81	67%	0.667	41%	0.407	S	S	*	.	H	α-helix	trans	-65.6	-44.7	179	-66.3	166.8	0	0	0	111.2	V37 Y38 Q43	V37-I41 HydrophobicContact CG1-CD1 4.22Å; V37-I41 WeakPolarHBondContact O-CG1 3.03Å; V37-I41 PolarHBondContact O-N 3.01Å; Y38-I41 PolarHBondContact O-N 3.39Å; I41-Q43 VanDerWaalsContact C-N 3.28Å; I41-Q43 PolarHBondContact O-N 2.83Å
42	I	94.1	Very high	94.1	Very high	65 Å²	65	82.8 Å²	82.8	33%	0.333	42%	0.417	S	S	.	.	H	α-helix	trans	-79.7	-11.9	-179.2	-63.5	-167.2	0	0	0	112.3	Y38 Q44	Y38-I42 HydrophobicContact CD1-CD1 4.05Å; Y38-I42 HydrophobicContact CE1-CD1 3.29Å; Y38-I42 HydrophobicContact CE1-CG1 4.23Å; Y38-I42 HydrophobicContact CE2-CD1 4.19Å; Y38-I42 PolarHBondContact O-N 3.37Å; Y38-I42 VanDerWaalsContact O-N 3.1Å; Y38-I42 WeakPolarHBondContact OH-CD1 3.18Å; I42-Q44 HydrophobicContact CG2-CB 3.88Å; I42-Q44 HydrophobicContact CG2-CG 4.02Å; I42-Q44 PolarHBondContact O-N 3.24Å
43	Q	92.1	Very high	94.2	Very high	167 Å²	167	86.2 Å²	86.2	78%	0.78	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	27.1	-172.9	-58.5	-174.6	-34.6	0	0	113.5	G39 L40 I41	G39-Q43 WeakPolarHBondContact O-CA 3.48Å; G39-Q43 PolarHBondContact O-N 2.96Å; L40-Q43 PolarHBondContact O-N 3.37Å; I41-Q43 VanDerWaalsContact C-N 3.28Å; I41-Q43 PolarHBondContact O-N 2.83Å
44	Q	88.8	Confident	94.1	Very high	120 Å²	120	84.7 Å²	84.7	56%	0.561	43%	0.426	S	S	*	.			trans	-131	108.8	179.8	-70.1	-70.5	-18.6	0	0	109.8	G39 I42 G46 W47	G39-Q44 PolarHBondContact O-N 2.87Å; I42-Q44 HydrophobicContact CG2-CB 3.88Å; I42-Q44 HydrophobicContact CG2-CG 4.02Å; I42-Q44 PolarHBondContact O-N 3.24Å; Q44-G46 PolarHBondContact O-N 3.32Å; Q44-W47 PolarHBondContact O-N 3.19Å
45	F	87.3	Confident	94.1	Very high	130 Å²	130	80.6 Å²	80.6	57%	0.57	41%	0.407	S	S	*	.	H	α-helix	trans	-68.4	-17.6	-178.5	-76.1	-79.8	0	0	0	113.8	W47 T48 V49	F45-W47 PolarHBondContact O-N 3.43Å; F45-T48 HydrophobicContact CD1-CG2 4.12Å; F45-T48 PolarHBondContact O-N 3.25Å; F45-T48 VanDerWaalsContact O-N 3.14Å; F45-T48 PolarHBondContact O-OG1 2.88Å; F45-V49 PolarHBondContact O-N 3.42Å
46	G	92.9	Very high	94.2	Very high	38 Å²	38	85.4 Å²	85.4	39%	0.392	43%	0.428	S	S	.	.	H	α-helix	trans	-58.7	-36.4	175.8	0	0	0	0	0	113.1	Q44 T48 V49 Y50	Q44-G46 PolarHBondContact O-N 3.32Å; G46-T48 VanDerWaalsContact C-N 3.33Å; G46-T48 PolarHBondContact O-N 3.02Å; G46-V49 PolarHBondContact O-N 2.95Å; G46-Y50 WeakPolarHBondContact O-CD2 3.44Å; G46-Y50 PolarHBondContact O-N 2.9Å; G46-Y50 VanDerWaalsContact O-N 3.1Å
47	W	91.7	Very high	94.3	Very high	126 Å²	126	82.8 Å²	82.8	48%	0.477	43%	0.428	S	S	.	.	H	α-helix	trans	-66.6	-32.6	177.7	-77.1	105.8	0	0	0	113.3	Y38 Q44 F45 V49 Y50 I51	Y38-W47 HydrophobicContact CD1-CB 4.07Å; Y38-W47 HydrophobicContact CE1-CB 4.18Å; Y38-W47 HydrophobicContact CE1-CD2 4.24Å; Y38-W47 HydrophobicContact CE1-CE3 4.3Å; Y38-W47 HydrophobicContact CE1-CG 4.2Å; Q44-W47 PolarHBondContact O-N 3.19Å; F45-W47 PolarHBondContact O-N 3.43Å; W47-V49 VanDerWaalsContact C-N 3.3Å; W47-V49 PolarHBondContact O-N 3.43Å; W47-Y50 HydrophobicContact CE3-CD2 4.37Å; W47-Y50 PolarHBondContact O-N 3.23Å; W47-I51 WeakPolarHBondContact O-CD1 3.31Å; W47-I51 VanDerWaalsContact O-CG1 3.28Å; W47-I51 WeakPolarHBondContact O-CG1 3.42Å; W47-I51 PolarHBondContact O-N 3.41Å
48	T	94.7	Very high	94.2	Very high	22 Å²	22	82.8 Å²	82.8	14%	0.135	43%	0.427	C	S	.	.	H	α-helix	trans	-62.6	-43.8	176.1	76.3	0	0	0	0	109.9	G35 F45 G46 I51 V52	G35-T48 VanDerWaalsContact O-CG2 3.29Å; G35-T48 WeakPolarHBondContact O-CG2 3.34Å; F45-T48 HydrophobicContact CD1-CG2 4.12Å; F45-T48 PolarHBondContact O-N 3.25Å; F45-T48 VanDerWaalsContact O-N 3.14Å; F45-T48 PolarHBondContact O-OG1 2.88Å; G46-T48 VanDerWaalsContact C-N 3.33Å; G46-T48 PolarHBondContact O-N 3.02Å; T48-I51 PolarHBondContact O-N 3.43Å; T48-V52 WeakPolarHBondContact O-CG2 3.49Å; T48-V52 PolarHBondContact O-N 3.34Å
49	V	94.8	Very high	94.2	Very high	84 Å²	84	78 Å²	78	51%	0.509	41%	0.409	S	S	.	.	H	α-helix	trans	-63.7	-46	179.5	-179.7	0	0	0	0	110.3	F45 G46 W47 I51 V52 L53	F45-V49 PolarHBondContact O-N 3.42Å; G46-V49 PolarHBondContact O-N 2.95Å; W47-V49 VanDerWaalsContact C-N 3.3Å; W47-V49 PolarHBondContact O-N 3.43Å; V49-I51 VanDerWaalsContact C-N 3.33Å; V49-I51 PolarHBondContact O-N 2.87Å; V49-V52 PolarHBondContact O-N 3.46Å; V49-L53 WeakPolarHBondContact O-CB 3.18Å; V49-L53 PolarHBondContact O-N 3.27Å
50	Y	95.5	Very high	94.1	Very high	159 Å²	159	79.1 Å²	79.1	62%	0.624	42%	0.416	S	S	*	.	H	α-helix	trans	-60.3	-41.7	177.5	-68.1	-48.6	0	0	0	112.7	G46 W47 L53 A54	G46-Y50 WeakPolarHBondContact O-CD2 3.44Å; G46-Y50 PolarHBondContact O-N 2.9Å; G46-Y50 VanDerWaalsContact O-N 3.1Å; W47-Y50 HydrophobicContact CE3-CD2 4.37Å; W47-Y50 PolarHBondContact O-N 3.23Å; Y50-L53 PolarHBondContact O-N 2.91Å; Y50-A54 VanDerWaalsContact O-CB 3.31Å; Y50-A54 WeakPolarHBondContact O-CB 3.47Å; Y50-A54 PolarHBondContact O-N 3.36Å
51	I	95.3	Very high	94	Very high	44 Å²	44	80.7 Å²	80.7	23%	0.226	42%	0.424	C	S	.	.	H	α-helix	trans	-68.2	-43.3	179.6	-67.5	165.5	0	0	0	111	Y38 W47 T48 V49 L53 A54 G55	Y38-I51 HydrophobicContact CD1-CD1 3.59Å; Y38-I51 HydrophobicContact CE1-CD1 4.31Å; Y38-I51 HydrophobicContact CG-CD1 3.94Å; W47-I51 WeakPolarHBondContact O-CD1 3.31Å; W47-I51 VanDerWaalsContact O-CG1 3.28Å; W47-I51 WeakPolarHBondContact O-CG1 3.42Å; W47-I51 PolarHBondContact O-N 3.41Å; T48-I51 PolarHBondContact O-N 3.43Å; V49-I51 VanDerWaalsContact C-N 3.33Å; V49-I51 PolarHBondContact O-N 2.87Å; I51-L53 VanDerWaalsContact C-N 3.33Å; I51-L53 PolarHBondContact O-N 3.08Å; I51-A54 PolarHBondContact O-N 3.01Å; I51-G55 PolarHBondContact O-N 3.32Å
52	V	96	Very high	93.7	Very high	49 Å²	49	78.1 Å²	78.1	30%	0.297	41%	0.412	S	S	.	.	H	α-helix	trans	-62.6	-42.9	175.9	169.9	0	0	0	0	110.9	A32 T48 V49 G55 F56	A32-V52 HydrophobicContact CB-CG2 4.18Å; T48-V52 WeakPolarHBondContact O-CG2 3.49Å; T48-V52 PolarHBondContact O-N 3.34Å; V49-V52 PolarHBondContact O-N 3.46Å; V52-G55 CarbonylContact O-C 3.57Å; V52-G55 PolarHBondContact O-N 3.03Å; V52-F56 PolarHBondContact O-N 3.04Å
53	L	96.7	Very high	93.5	Very high	111 Å²	111	75.8 Å²	75.8	58%	0.581	40%	0.401	S	S	*	.	H	α-helix	trans	-69.2	-36.9	-178.9	-158.6	139.5	0	0	0	111.8	V49 Y50 I51 F56 A57	V49-L53 WeakPolarHBondContact O-CB 3.18Å; V49-L53 PolarHBondContact O-N 3.27Å; Y50-L53 PolarHBondContact O-N 2.91Å; I51-L53 VanDerWaalsContact C-N 3.33Å; I51-L53 PolarHBondContact O-N 3.08Å; L53-F56 WeakPolarHBondContact O-CB 3.34Å; L53-F56 PolarHBondContact O-N 2.79Å; L53-A57 PolarHBondContact O-N 3.44Å
54	A	96.6	Very high	93.1	Very high	55 Å²	55	74 Å²	74	46%	0.455	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-44.5	169.1	0	0	0	0	0	111.5	Y50 I51 F56 A57 V58	Y50-A54 VanDerWaalsContact O-CB 3.31Å; Y50-A54 WeakPolarHBondContact O-CB 3.47Å; Y50-A54 PolarHBondContact O-N 3.36Å; I51-A54 PolarHBondContact O-N 3.01Å; A54-F56 VanDerWaalsContact C-N 3.27Å; A54-F56 PolarHBondContact O-N 3.07Å; A54-A57 PolarHBondContact O-N 3.14Å; A54-V58 WeakPolarHBondContact O-CG2 3.42Å; A54-V58 PolarHBondContact O-N 3.31Å
55	G	96.3	Very high	92.9	Very high	10 Å²	10	70.1 Å²	70.1	10%	0.103	38%	0.381	C	S	.	.	H	α-helix	trans	-59.6	-37.4	174.1	0	0	0	0	0	112.9	I27 I51 V52 V58 S59	I27-G55 WeakPolarHBondContact CG2-O 3.39Å; I51-G55 PolarHBondContact O-N 3.32Å; V52-G55 CarbonylContact O-C 3.57Å; V52-G55 PolarHBondContact O-N 3.03Å; G55-V58 PolarHBondContact O-N 3.08Å; G55-S59 WeakPolarHBondContact O-CB 3.37Å; G55-S59 PolarHBondContact O-N 2.88Å; G55-S59 PolarHBondContact O-OG 2.95Å
56	F	96	Very high	92.3	Very high	101 Å²	101	65.5 Å²	65.5	44%	0.443	36%	0.364	S	S	.	.	H	α-helix	trans	-66.3	-44.4	174.1	174.8	-95	0	0	0	112.8	F24 I28 V52 L53 A54 V58 S59 C60	F24-F56 HydrophobicContact CE2-CD2 4Å; F24-F56 HydrophobicContact CE2-CE2 4.02Å; F24-F56 AromaticContact CZ-CD2 3.77Å; F24-F56 HydrophobicContact CZ-CD2 3.77Å; F24-F56 AromaticContact CZ-CE2 3.78Å; F24-F56 HydrophobicContact CZ-CE2 3.78Å; I28-F56 VanDerWaalsContact CD1-CA 3.48Å; I28-F56 HydrophobicContact CD1-CB 3.72Å; I28-F56 HydrophobicContact CD1-CD2 4.09Å; I28-F56 HydrophobicContact CD1-CG 4.42Å; V52-F56 PolarHBondContact O-N 3.04Å; L53-F56 WeakPolarHBondContact O-CB 3.34Å; L53-F56 PolarHBondContact O-N 2.79Å; A54-F56 VanDerWaalsContact C-N 3.27Å; A54-F56 PolarHBondContact O-N 3.07Å; F56-V58 VanDerWaalsContact C-N 3.29Å; F56-V58 PolarHBondContact O-N 3.4Å; F56-S59 WeakPolarHBondContact CA-OG 3.13Å; F56-S59 PolarHBondContact O-N 2.97Å; F56-S59 PolarHBondContact O-OG 3.42Å; F56-C60 WeakPolarHBondContact CZ-SG 3.29Å; F56-C60 WeakPolarHBondContact O-CB 3.4Å; F56-C60 PolarHBondContact O-N 2.91Å; F56-C60 PolarHBondContact O-SG 3.37Å; F56-C60 VanDerWaalsContact O-SG 3.37Å
57	A	96.4	Very high	91.7	Very high	58 Å²	58	69.1 Å²	69.1	48%	0.479	37%	0.366	S	S	.	.	H	α-helix	trans	-60.3	-42.3	175.5	0	0	0	0	0	111.5	L53 A54 L61	L53-A57 PolarHBondContact O-N 3.44Å; A54-A57 PolarHBondContact O-N 3.14Å; A57-L61 PolarHBondContact O-N 2.92Å
58	V	94.8	Very high	91	Very high	77 Å²	77	67.5 Å²	67.5	47%	0.467	37%	0.372	S	S	.	.	H	α-helix	trans	-65.1	-44.5	176.4	172.3	0	0	0	0	111.6	A54 G55 F56 L61 L62	A54-V58 WeakPolarHBondContact O-CG2 3.42Å; A54-V58 PolarHBondContact O-N 3.31Å; G55-V58 PolarHBondContact O-N 3.08Å; F56-V58 VanDerWaalsContact C-N 3.29Å; F56-V58 PolarHBondContact O-N 3.4Å; V58-L61 PolarHBondContact O-N 3.04Å; V58-L62 HydrophobicContact CG1-CD1 3.99Å; V58-L62 WeakPolarHBondContact O-CG 3.14Å; V58-L62 PolarHBondContact O-N 2.96Å; V58-L62 VanDerWaalsContact O-N 3.12Å
59	S	94.6	Very high	90.2	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-63.7	-43.9	178.9	68.6	0	0	0	0	111.1	F24 G55 F56 L61 L62 T63	F24-S59 WeakPolarHBondContact CD2-OG 3.3Å; F24-S59 WeakPolarHBondContact CE2-OG 3.07Å; G55-S59 WeakPolarHBondContact O-CB 3.37Å; G55-S59 PolarHBondContact O-N 2.88Å; G55-S59 PolarHBondContact O-OG 2.95Å; F56-S59 WeakPolarHBondContact CA-OG 3.13Å; F56-S59 PolarHBondContact O-N 2.97Å; F56-S59 PolarHBondContact O-OG 3.42Å; S59-L61 VanDerWaalsContact C-N 3.33Å; S59-L61 PolarHBondContact O-N 3.43Å; S59-L62 PolarHBondContact O-N 2.87Å; S59-L62 VanDerWaalsContact O-N 3.08Å; S59-T63 WeakPolarHBondContact O-CG2 3.38Å; S59-T63 PolarHBondContact O-N 3.15Å; S59-T63 PolarHBondContact O-OG1 2.95Å
60	C	92.3	Very high	89.6	Confident	26 Å²	26	67.9 Å²	67.9	18%	0.176	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-43.4	174.3	-74.9	0	0	0	0	112.4	F56 L62 T63 L64	F56-C60 WeakPolarHBondContact CZ-SG 3.29Å; F56-C60 WeakPolarHBondContact O-CB 3.4Å; F56-C60 PolarHBondContact O-N 2.91Å; F56-C60 PolarHBondContact O-SG 3.37Å; F56-C60 VanDerWaalsContact O-SG 3.37Å; C60-L62 PolarHBondContact O-N 3.07Å; C60-T63 PolarHBondContact O-N 3.34Å; C60-L64 HydrophobicContact CB-CD1 3.72Å; C60-L64 HydrophobicContact CB-CG 4.22Å; C60-L64 WeakPolarHBondContact O-CB 3.49Å; C60-L64 WeakPolarHBondContact O-CG 3.48Å; C60-L64 PolarHBondContact O-N 3.22Å
61	L	91.7	Very high	88.7	Confident	122 Å²	122	63.6 Å²	63.6	64%	0.639	35%	0.35	S	S	*	.	H	α-helix	trans	-62.4	-31.8	177	-174.6	63.4	0	0	0	112.3	A57 V58 S59 P65 W67	A57-L61 PolarHBondContact O-N 2.92Å; V58-L61 PolarHBondContact O-N 3.04Å; S59-L61 VanDerWaalsContact C-N 3.33Å; S59-L61 PolarHBondContact O-N 3.43Å; L61-P65 WeakPolarHBondContact O-CD 3.2Å; L61-P65 WeakPolarHBondContact O-CG 3.42Å; L61-W67 PolarHBondContact O-NE1 3.37Å
62	L	88.8	Confident	87.9	Confident	76 Å²	76	70 Å²	70	40%	0.398	37%	0.371	S	S	.	.	H	α-helix	trans	-87	-26.3	-179	-72.1	170.8	0	0	0	114	I27 V58 S59 C60 W67 Y70	I27-L62 HydrophobicContact CD1-CD1 3.7Å; V58-L62 HydrophobicContact CG1-CD1 3.99Å; V58-L62 WeakPolarHBondContact O-CG 3.14Å; V58-L62 PolarHBondContact O-N 2.96Å; V58-L62 VanDerWaalsContact O-N 3.12Å; S59-L62 PolarHBondContact O-N 2.87Å; S59-L62 VanDerWaalsContact O-N 3.08Å; C60-L62 PolarHBondContact O-N 3.07Å; L62-W67 PolarHBondContact O-NE1 3.25Å; L62-Y70 PolarHBondContact O-OH 3.26Å
63	T	89.8	Confident	87	Confident	17 Å²	17	70.8 Å²	70.8	10%	0.104	37%	0.374	C	S	.	.	H	α-helix	trans	-109.5	-25.4	-171.7	64.6	0	0	0	0	114	A20 I23 F24 S59 C60	A20-T63 HydrophobicContact CB-CG2 4.43Å; A20-T63 WeakPolarHBondContact O-CG2 3.28Å; I23-T63 HydrophobicContact CB-CG2 4.32Å; I23-T63 HydrophobicContact CG2-CG2 4.11Å; F24-T63 HydrophobicContact CB-CG2 4.03Å; S59-T63 WeakPolarHBondContact O-CG2 3.38Å; S59-T63 PolarHBondContact O-N 3.15Å; S59-T63 PolarHBondContact O-OG1 2.95Å; C60-T63 PolarHBondContact O-N 3.34Å
64	L	85.3	Confident	85.8	Confident	128 Å²	128	71 Å²	71	67%	0.67	38%	0.381	S	S	*	.	S	Bend	trans	-76.2	-41.9	179.4	-62.5	177.1	0	0	0	114.1	C60	C60-L64 HydrophobicContact CB-CD1 3.72Å; C60-L64 HydrophobicContact CB-CG 4.22Å; C60-L64 WeakPolarHBondContact O-CB 3.49Å; C60-L64 WeakPolarHBondContact O-CG 3.48Å; C60-L64 PolarHBondContact O-N 3.22Å
65	P	83.3	Confident	84.6	Confident	40 Å²	40	72.9 Å²	72.9	26%	0.26	38%	0.384	S	S	.	.	S	Bend	trans	-68.3	137.8	175.9	-12.4	26.9	0	0	0	109.7	L61 W67	L61-P65 WeakPolarHBondContact O-CD 3.2Å; L61-P65 WeakPolarHBondContact O-CG 3.42Å; P65-W67 HydrophobicContact CB-CD2 4.23Å; P65-W67 HydrophobicContact CB-CG 4.44Å; P65-W67 HydrophobicContact CB-CZ2 4.04Å; P65-W67 HydrophobicContact CG-CZ2 3.77Å; P65-W67 PolarHBondContact O-N 2.87Å
66	P	75.2	Confident	83.3	Confident	32 Å²	32	78.1 Å²	78.1	21%	0.208	42%	0.416	C	S	.	.			trans	-77.1	69.2	176	30.2	-32.9	0	0	0	110.8	I8 M12 R71	I8-P66 HydrophobicContact CG2-CG 3.58Å; M12-P66 HydrophobicContact CE-CB 4.23Å; M12-P66 HydrophobicContact SD-CB 4.43Å; P66-R71 PolarHBondContact O-NE 3.15Å; P66-R71 VanDerWaalsContact O-NE 3.16Å; P66-R71 PolarHBondContact O-NH2 3.4Å
67	W	81	Confident	82.4	Confident	115 Å²	115	83.5 Å²	83.5	44%	0.436	43%	0.433	S	S	.	.			trans	-55.2	144.8	177.2	-59.8	102.1	0	0	0	110.7	L61 L62 P65 M69 Y70	L61-W67 PolarHBondContact O-NE1 3.37Å; L62-W67 PolarHBondContact O-NE1 3.25Å; P65-W67 HydrophobicContact CB-CD2 4.23Å; P65-W67 HydrophobicContact CB-CG 4.44Å; P65-W67 HydrophobicContact CB-CZ2 4.04Å; P65-W67 HydrophobicContact CG-CZ2 3.77Å; P65-W67 PolarHBondContact O-N 2.87Å; W67-M69 PolarHBondContact O-N 2.85Å; W67-Y70 HydrophobicContact CB-CD2 4.04Å; W67-Y70 HydrophobicContact CB-CE2 4.27Å; W67-Y70 AromaticContact CD1-CE2 3.76Å; W67-Y70 HydrophobicContact CG-CE2 4.43Å; W67-Y70 PolarHBondContact O-N 3.26Å
68	P	76.4	Confident	81.7	Confident	92 Å²	92	89.1 Å²	89.1	60%	0.597	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-60.3	-20.2	-179.9	24.6	-34.2	0	0	0	113.2	Y70 R71	P68-Y70 VanDerWaalsContact C-N 3.25Å; P68-Y70 PolarHBondContact O-N 2.99Å; P68-R71 PolarHBondContact O-N 3.16Å
69	M	78.3	Confident	81.1	Confident	104 Å²	104	91.1 Å²	91.1	51%	0.512	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-59	-35.8	173.7	-173.2	179.5	-65.1	0	0	112.7	W67 R71	W67-M69 PolarHBondContact O-N 2.85Å; M69-R71 VanDerWaalsContact C-N 3.3Å; M69-R71 PolarHBondContact O-N 3.3Å
70	Y	81	Confident	80.3	Confident	10 Å²	10	97.9 Å²	97.9	4%	0.039	51%	0.505	C	S	.	.	G	3₁₀ helix	trans	-84.9	-1.7	-177	-60.2	-53.9	0	0	0	113.8	M12 G16 L19 A20 I23 L62 W67 P68	M12-Y70 HydrophobicContact CE-CD2 3.81Å; M12-Y70 HydrophobicContact CE-CE2 4.5Å; M12-Y70 HydrophobicContact CE-CG 4.31Å; M12-Y70 WeakPolarHBondContact SD-CB 3.39Å; M12-Y70 HydrophobicContact SD-CD2 3.8Å; M12-Y70 HydrophobicContact SD-CG 3.76Å; G16-Y70 VanDerWaalsContact CA-O 3.29Å; G16-Y70 WeakPolarHBondContact CA-O 3.47Å; G16-Y70 WeakPolarHBondContact O-CD1 3.21Å; L19-Y70 HydrophobicContact CB-CD1 4.18Å; L19-Y70 HydrophobicContact CB-CE1 4.16Å; L19-Y70 HydrophobicContact CD2-CD1 3.93Å; L19-Y70 HydrophobicContact CD2-CE1 3.91Å; L19-Y70 HydrophobicContact CG-CD1 4.26Å; L19-Y70 HydrophobicContact CG-CE1 3.94Å; A20-Y70 HydrophobicContact CB-CD1 4.3Å; A20-Y70 HydrophobicContact CB-CE1 3.84Å; A20-Y70 HydrophobicContact CB-CE2 4.16Å; I23-Y70 HydrophobicContact CD1-CE1 4.02Å; I23-Y70 WeakPolarHBondContact CD1-OH 3.18Å; L62-Y70 PolarHBondContact O-OH 3.26Å; W67-Y70 HydrophobicContact CB-CD2 4.04Å; W67-Y70 HydrophobicContact CB-CE2 4.27Å; W67-Y70 AromaticContact CD1-CE2 3.76Å; W67-Y70 HydrophobicContact CG-CE2 4.43Å; W67-Y70 PolarHBondContact O-N 3.26Å; P68-Y70 VanDerWaalsContact C-N 3.25Å; P68-Y70 PolarHBondContact O-N 2.99Å
71	R	77.2	Confident	79.5	Confident	69 Å²	69	100.7 Å²	100.7	26%	0.26	53%	0.53	S	S	.	.	G	3₁₀ helix	trans	-115	29.1	-173.4	-65.7	-177.4	-75.5	135.9	-17.8	113.5	H11 D13 P66 P68 M69	H11-R71 WeakPolarHBondContact O-CD 3.31Å; H11-R71 VanDerWaalsContact O-CG 3.31Å; H11-R71 WeakPolarHBondContact O-CG 2.96Å; D13-R71 WeakPolarHBondContact OD2-CA 3.41Å; P66-R71 PolarHBondContact O-NE 3.15Å; P66-R71 VanDerWaalsContact O-NE 3.16Å; P66-R71 PolarHBondContact O-NH2 3.4Å; P68-R71 PolarHBondContact O-N 3.16Å; M69-R71 VanDerWaalsContact C-N 3.3Å; M69-R71 PolarHBondContact O-N 3.3Å
72	R	78.2	Confident	78.4	Confident	179 Å²	179	100.6 Å²	100.6	68%	0.675	54%	0.537	S	S	*	.			trans	-87.9	-1.2	-173.3	-69.2	-178.9	173.9	174.8	-1.6	114	D13 P74	D13-R72 PolarHBondContact OD2-N 3.33Å; R72-P74 WeakPolarHBondContact O-CD 3.18Å
73	N	76.5	Confident	77.1	Confident	65 Å²	65	106.2 Å²	106.2	35%	0.348	56%	0.561	S	S	.	*			trans	-126.5	78.2	-173.6	-69.9	-95.3	0	0	0	110.7	D13 K15 L75	D13-N73 VanDerWaalsContact OD2-C 3.31Å; D13-N73 WeakPolarHBondContact OD2-CA 3.45Å; D13-N73 PolarHBondContact OD2-N 3.38Å; K15-N73 HydrophobicContact CD-CB 4Å; K15-N73 VanDerWaalsContact CD-CG 3.49Å; K15-N73 WeakPolarHBondContact CD-OD1 3.36Å; K15-N73 PolarHBondContact NZ-OD1 3.4Å; N73-L75 PolarHBondContact O-N 3.24Å
74	P	72.8	Confident	75.4	Confident	114 Å²	114	109.5 Å²	109.5	74%	0.74	59%	0.59	S	S	*	*			trans	-59.8	128.8	173.7	26.1	-33.3	0	0	0	109.9	R72 P76	R72-P74 WeakPolarHBondContact O-CD 3.18Å; P74-P76 WeakPolarHBondContact O-CD 3.13Å
75	L	70.6	Confident	73.9	Confident	96 Å²	96	109.5 Å²	109.5	50%	0.503	60%	0.601	S	S	.	*			trans	-76.8	122.7	177.1	-71.2	163.1	0	0	0	109.2	N73 W77	N73-L75 PolarHBondContact O-N 3.24Å; L75-W77 PolarHBondContact O-N 3.41Å
76	P	69.3	Low	72	Confident	120 Å²	120	110.7 Å²	110.7	78%	0.779	62%	0.62	S	S	*	*			trans	-73.1	99.6	170.1	29.3	-31.2	0	0	0	108.3	P74 Q78	P74-P76 WeakPolarHBondContact O-CD 3.13Å; P76-Q78 PolarHBondContact O-N 3.3Å
77	W	77.7	Confident	70.4	Confident	213 Å²	213	118.1 Å²	118.1	81%	0.807	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-63.7	128.1	172	-62.9	99.9	0	0	0	109	L75	L75-W77 PolarHBondContact O-N 3.41Å
78	Q	80.6	Confident	68.7	Low	177 Å²	177	117.8 Å²	117.8	83%	0.827	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-65.9	142.8	170	-76	-169.5	-24.5	0	0	109.2	P76 V80	P76-Q78 PolarHBondContact O-N 3.3Å; Q78-V80 PolarHBondContact O-N 3.46Å
79	P	82.3	Confident	67.3	Low	119 Å²	119	119.5 Å²	119.5	77%	0.773	67%	0.673	S	S	*	*	P	Polyproline II helix	trans	-58	139.4	174.7	25.2	-32.7	0	0	0	109.2	A81	P79-A81 PolarHBondContact O-N 3.05Å; P79-A81 VanDerWaalsContact O-N 3.11Å
80	V	79.2	Confident	65.6	Low	142 Å²	142	123.7 Å²	123.7	86%	0.861	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-53.1	119.8	173.9	-97.1	0	0	0	0	108.6	Q78	Q78-V80 PolarHBondContact O-N 3.46Å
81	A	74.6	Confident	63.6	Low	85 Å²	85	132.8 Å²	132.8	70%	0.702	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-59.3	130.1	171.4	0	0	0	0	0	107.3	P79 E83	P79-A81 PolarHBondContact O-N 3.05Å; P79-A81 VanDerWaalsContact O-N 3.11Å; A81-E83 PolarHBondContact O-N 3.38Å
82	P	69.3	Low	61.8	Low	119 Å²	119	135.7 Å²	135.7	77%	0.773	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-56.5	132.8	173.9	21.5	-28.8	0	0	0	108	A84	P82-A84 VanDerWaalsContact C-N 3.32Å; P82-A84 PolarHBondContact O-N 3.44Å
83	E	60.8	Low	60.3	Low	195 Å²	195	136.5 Å²	136.5	91%	0.911	77%	0.771	S	S	*	*			trans	-52.3	96.4	176.6	-63.7	-104.5	141	0	0	108.5	A81 S85	A81-E83 PolarHBondContact O-N 3.38Å; E83-S85 PolarHBondContact O-N 3.11Å; E83-S85 VanDerWaalsContact O-N 3.09Å
84	A	54.9	Low	58.4	Low	86 Å²	86	139.6 Å²	139.6	71%	0.711	79%	0.787	S	S	*	*			trans	-75.5	100.2	173.7	0	0	0	0	0	106.8	P82 G86	P82-A84 VanDerWaalsContact C-N 3.32Å; P82-A84 PolarHBondContact O-N 3.44Å; A84-G86 VanDerWaalsContact C-N 3.33Å; A84-G86 PolarHBondContact O-N 3.28Å
85	S	53	Low	56.6	Low	128 Å²	128	142 Å²	142	90%	0.895	79%	0.794	S	S	*	*	S	Bend	trans	-52.2	100.9	149.7	43.4	0	0	0	0	108.6	E83	E83-S85 PolarHBondContact O-N 3.11Å; E83-S85 VanDerWaalsContact O-N 3.09Å
86	G	43.1	Very low	55.1	Low	64 Å²	64	142 Å²	142	66%	0.66	80%	0.798	S	S	*	*	S	Bend	trans	109.6	121	168.9	0	0	0	0	0	116.7	A84	A84-G86 VanDerWaalsContact C-N 3.33Å; A84-G86 PolarHBondContact O-N 3.28Å
87	E	41	Very low	53.8	Low	188 Å²	188	145.2 Å²	145.2	88%	0.879	80%	0.8	S	S	*	*			trans	-54.6	179.6	172.8	-68.7	174.5	104.4	0	0	116.3
88	P	46.6	Very low	51.9	Low	108 Å²	108	147 Å²	147	70%	0.701	81%	0.806	S	S	*	*			cis	-130.3	162.6	-31.5	28.2	-7.9	0	0	0	114.7
89	T	45.9	Very low	50	Low	128 Å²	128	148.6 Å²	148.6	79%	0.785	81%	0.811	S	S	*	*			trans	53.9	114.3	149.3	-54.6	0	0	0	0	120.8
90	Q	42.1	Very low	47.8	Very low	193 Å²	193	152.7 Å²	152.7	90%	0.902	82%	0.816	S	S	*	*			trans	-156.6	111	137.3	-105.5	166	41.5	0	0	110.4
91	K	40.9	Very low	45.7	Very low	201 Å²	201	154.9 Å²	154.9	87%	0.874	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81.1	132.6	171.5	-74.8	179.9	177.8	175.8	0	109.7
92	P	37.8	Very low	43.8	Very low	130 Å²	130	163.4 Å²	163.4	84%	0.844	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-80.6	132.2	163.8	-9.9	27.5	0	0	0	110.8
93	Q	47.5	Very low	42.5	Very low	195 Å²	195	165.7 Å²	165.7	91%	0.911	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-77.8	120.2	178.8	-172.5	-179	6.6	0	0	109.9
94	D	37.2	Very low	41.5	Very low	130 Å²	130	164.1 Å²	164.1	70%	0.695	84%	0.838	S	S	*	*			trans	-144.6	110.1	157.1	-168.5	-0.4	0	0	0	109.7	T96	D94-T96 PolarHBondContact OD1-N 3.09Å; D94-T96 PolarHBondContact OD1-OG1 2.76Å
95	N	35.1	Very low	40.8	Very low	165 Å²	165	168.4 Å²	168.4	88%	0.882	85%	0.845	S	S	*	*			trans	-137	78.9	163.9	-129.8	-54.4	0	0	0	108.4	K97	N95-K97 PolarHBondContact O-N 2.97Å
96	T	37.7	Very low	40	Very low	96 Å²	96	170.8 Å²	170.8	59%	0.589	84%	0.842	S	S	*	*			trans	-61.9	115.8	167.9	-70.1	0	0	0	0	111.2	D94	D94-T96 PolarHBondContact OD1-N 3.09Å; D94-T96 PolarHBondContact OD1-OG1 2.76Å
97	K	41.9	Very low	39.9	Very low	187 Å²	187	177.5 Å²	177.5	81%	0.813	85%	0.853	S	S	*	*			trans	58.3	107.5	148	-62.1	176.5	-177.1	179.8	0	119.3	N95	N95-K97 PolarHBondContact O-N 2.97Å
98	R	38.7	Very low	39.8	Very low	250 Å²	250	176.8 Å²	176.8	94%	0.943	85%	0.851	S	S	*	*			trans	-134.4	101.8	141.3	-75.8	-164.4	178.2	-168.3	1	113.2
99	K	39.5	Very low	39.3	Very low	212 Å²	212	181.7 Å²	181.7	92%	0.922	86%	0.862	S	S	*	*			trans	42.8	120.7	141.8	-68.9	-173	175.8	-176.4	0	121.5
100	K	37.4	Very low	38.8	Very low	205 Å²	205	185.8 Å²	185.8	89%	0.891	87%	0.868	S	S	*	*			trans	-47.6	126.6	161	-164	-178	-171.3	-175.8	0	115.7
101	H	33.9	Very low	38.5	Very low	187 Å²	187	185.3 Å²	185.3	87%	0.866	87%	0.865	S	S	*	*			trans	-171.8	128.7	148.6	-124.8	66.4	0	0	0	104.7
102	K	34.5	Very low	38.3	Very low	265 Å²	265	183.8 Å²	183.8	100%	1.152	86%	0.864	S	S	*	*			cis	-157.7	0	39.7	-177.7	-176.3	-177	-166.3	0	107.8

Retrieved 102 of 102 residues in 264.8 ms (Link to these results)

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