A0A5K4F7G7_SCHMA Loading...

palmitoyl-protein hydrolase

AlphaFold DB , UniProt , Accession A0A5K4F7G7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 100 aa.

						>A0A5K4F7G7_SCHMA|A0A5K4F7G7
MPAWHDIYALSENAKQDEAGIKEASLELGKFVDAEIKAGVPIGNTVIGGFSPGGSVALYNALTITLQYDGAVASSCWLPLHTKFMSSPTLLTMPKDVPVF
					

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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)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	67.1	Low	92.6	Very high	224 Å²	224	105.6 Å²	105.6	100%	1.103	58%	0.58	S	S	*	*				0	144.2	0	-67	-171.4	-70.8	0	107.4	A3	M1-A3 PolarHBondContact O-N 3.3Å
2	P	89	Confident	92.3	Very high	137 Å²	137	109 Å²	109	89%	0.89	59%	0.589	S	S	*	*			trans	-63.8	130	173.8	27.4	-32.9	0	0	109.5
3	A	94.6	Very high	92.4	Very high	78 Å²	78	111.7 Å²	111.7	65%	0.645	60%	0.603	S	S	*	*			trans	-149	149.3	178.9	0	0	0	0	109.2	M1	M1-A3 PolarHBondContact O-N 3.3Å
4	W	96.5	Very high	92.6	Very high	123 Å²	123	105.1 Å²	105.1	47%	0.466	57%	0.571	S	S	.	*	S	Bend	trans	-76.2	-34.9	173.3	-69.6	105.7	0	0	112.2	A24 V56	W4-A24 HydrophobicContact CB-CB 4.09Å; W4-A24 HydrophobicContact CE3-CB 4.18Å; W4-A24 WeakPolarHBondContact O-CB 3.31Å; W4-V56 HydrophobicContact CB-CG2 3.76Å; W4-V56 HydrophobicContact CG-CG2 4.1Å
5	H	97.2	Very high	92.8	Very high	16 Å²	16	108.7 Å²	108.7	7%	0.074	58%	0.579	C	S	.	*	S	Bend	trans	-158.2	168.5	178.7	61.7	79.1	0	0	108.8	I21	H5-I21 HydrophobicContact CB-CG1 4.16Å
6	D	97.2	Very high	93.1	Very high	92 Å²	92	105.2 Å²	105.2	49%	0.492	56%	0.558	S	S	.	*			trans	-71.3	146.2	178.2	-74.3	-20.2	0	0	112	Y8 D17	D6-Y8 HydrophobicContact CB-CD1 4.36Å; D6-Y8 HydrophobicContact CB-CE1 3.64Å; D6-D17 HydrophobicContact CB-CB 3.83Å; D6-D17 PolarHBondContact N-OD2 3.11Å
7	I	96.1	Very high	93.3	Very high	88 Å²	88	100.5 Å²	100.5	45%	0.451	53%	0.533	S	S	.	.	B	Isolated β-bridge	trans	-120.5	111.3	171.6	-60.9	176.8	0	0	107.9	L10 P52 W77	I7-L10 HydrophobicContact CG2-CD2 4.05Å; I7-P52 HydrophobicContact CD1-CB 4.43Å; I7-W77 HydrophobicContact CD1-CH2 4.15Å
8	Y	95.9	Very high	93.6	Very high	110 Å²	110	98.2 Å²	98.2	43%	0.431	52%	0.519	S	S	.	.			trans	-88.1	-34.8	-176.9	-56.2	-49.2	0	0	113.5	D6 K15 D17	D6-Y8 HydrophobicContact CB-CD1 4.36Å; D6-Y8 HydrophobicContact CB-CE1 3.64Å; Y8-K15 HydrophobicContact CD2-CB 4.02Å; Y8-K15 HydrophobicContact CD2-CD 3.89Å; Y8-K15 HydrophobicContact CD2-CG 3.81Å; Y8-K15 WeakPolarHBondContact CD2-O 3.27Å; Y8-K15 HydrophobicContact CE2-CD 3.94Å; Y8-K15 HydrophobicContact CE2-CG 4.06Å; Y8-D17 HydrophobicContact CE2-CB 4.04Å
9	A	96.1	Very high	93.8	Very high	52 Å²	52	96.7 Å²	96.7	43%	0.43	52%	0.522	S	S	.	.			trans	-159.8	164.1	173.7	0	0	0	0	110.5	A14	A9-A14 HydrophobicContact CB-CB 3.73Å
10	L	94.3	Very high	94	Very high	165 Å²	165	92.3 Å²	92.3	86%	0.864	50%	0.5	S	S	*	.	S	Bend	trans	-97.6	3.3	-176.9	-59.9	178.8	0	0	114	I7	I7-L10 HydrophobicContact CG2-CD2 4.05Å
11	S	94.4	Very high	94.2	Very high	77 Å²	77	88 Å²	88	54%	0.538	48%	0.477	S	S	.	.	S	Bend	trans	-77.7	150.3	175.8	58.6	0	0	0	111	N13 A14	S11-N13 PolarHBondContact O-N 2.95Å; S11-A14 WeakPolarHBondContact O-CB 3.09Å; S11-A14 PolarHBondContact O-N 2.78Å
12	E	89.8	Confident	95.6	Very high	146 Å²	146	81.5 Å²	81.5	68%	0.682	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-37.9	179.8	-176.2	179.7	-177.4	0	113	A14	E12-A14 VanDerWaalsContact C-N 3.35Å
13	N	92.5	Very high	96	Very high	144 Å²	144	81.6 Å²	81.6	77%	0.77	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	10.7	-178.2	-61	-51.8	0	0	113.5	S11	S11-N13 PolarHBondContact O-N 2.95Å
14	A	95.2	Very high	96.2	Very high	19 Å²	19	78.1 Å²	78.1	16%	0.157	40%	0.402	C	S	.	.			trans	-60.4	147.2	177.2	0	0	0	0	111.1	A9 S11 E12 Q16	A9-A14 HydrophobicContact CB-CB 3.73Å; S11-A14 WeakPolarHBondContact O-CB 3.09Å; S11-A14 PolarHBondContact O-N 2.78Å; E12-A14 VanDerWaalsContact C-N 3.35Å; A14-Q16 PolarHBondContact O-N 2.97Å
15	K	96.2	Very high	96.2	Very high	159 Å²	159	72.4 Å²	72.4	69%	0.691	38%	0.381	S	S	*	.			trans	-55	136.9	164.2	-178.3	-173.5	174	-168.5	108.2	Y8	Y8-K15 HydrophobicContact CD2-CB 4.02Å; Y8-K15 HydrophobicContact CD2-CD 3.89Å; Y8-K15 HydrophobicContact CD2-CG 3.81Å; Y8-K15 WeakPolarHBondContact CD2-O 3.27Å; Y8-K15 HydrophobicContact CE2-CD 3.94Å; Y8-K15 HydrophobicContact CE2-CG 4.06Å
16	Q	97.1	Very high	96.2	Very high	53 Å²	53	76.8 Å²	76.8	25%	0.248	41%	0.405	C	S	.	.	B	Isolated β-bridge	trans	-114	147.4	175.9	-58.6	-176.1	33	0	110	A14 E18 I21 P79 L80	A14-Q16 PolarHBondContact O-N 2.97Å; Q16-E18 VanDerWaalsContact C-N 3.26Å; Q16-E18 PolarHBondContact O-N 2.79Å; Q16-I21 HydrophobicContact CB-CD1 4.09Å; Q16-P79 VanDerWaalsContact OE1-CA 3.3Å; Q16-L80 HydrophobicContact CB-CD2 4Å
17	D	97.6	Very high	96.2	Very high	25 Å²	25	75.9 Å²	75.9	13%	0.134	40%	0.397	C	S	.	.			trans	-77.8	76.5	175.1	177.9	18.8	0	0	110.7	D6 Y8 A19 G20 I21	D6-D17 HydrophobicContact CB-CB 3.83Å; D6-D17 PolarHBondContact N-OD2 3.11Å; Y8-D17 HydrophobicContact CE2-CB 4.04Å; D17-A19 PolarHBondContact O-N 3.28Å; D17-G20 PolarHBondContact O-N 3.43Å; D17-G20 PolarHBondContact OD1-N 2.87Å; D17-G20 WeakPolarHBondContact OD2-CA 3.4Å; D17-I21 WeakPolarHBondContact O-CB 3.24Å; D17-I21 VanDerWaalsContact O-CD1 3.32Å; D17-I21 WeakPolarHBondContact O-CD1 3.12Å; D17-I21 VanDerWaalsContact O-CG1 3.25Å; D17-I21 WeakPolarHBondContact O-CG1 3.35Å; D17-I21 PolarHBondContact O-N 3.29Å
18	E	97.5	Very high	96.2	Very high	60 Å²	60	73.2 Å²	73.2	28%	0.28	38%	0.384	S	S	.	.	H	α-helix	trans	-56.2	-37.1	-178.3	171.9	170.6	-176.7	0	113	Q16 K22 L80 K83	Q16-E18 VanDerWaalsContact C-N 3.26Å; Q16-E18 PolarHBondContact O-N 2.79Å; E18-K22 HydrophobicContact CG-CD 4.08Å; E18-K22 WeakPolarHBondContact O-CB 3.2Å; E18-K22 WeakPolarHBondContact O-CG 3.36Å; E18-K22 PolarHBondContact O-N 3.19Å; E18-K22 VanDerWaalsContact O-N 3.13Å; E18-K22 WeakPolarHBondContact OE1-CE 3.39Å; E18-K22 IonicContact OE1-NZ 2.65Å; E18-K22 PolarHBondContact OE1-NZ 2.91Å; E18-L80 HydrophobicContact CB-CD1 4.14Å; E18-L80 HydrophobicContact CB-CD2 3.94Å; E18-L80 HydrophobicContact CG-CD1 3.77Å; E18-L80 HydrophobicContact CG-CD2 4.36Å; E18-K83 IonicContact OE1-NZ 2.64Å; E18-K83 PolarHBondContact OE1-NZ 2.98Å; E18-K83 WeakPolarHBondContact OE2-CE 3.34Å; E18-K83 IonicContact OE2-NZ 2.71Å; E18-K83 PolarHBondContact OE2-NZ 3.44Å
19	A	97.9	Very high	96.2	Very high	70 Å²	70	68.3 Å²	68.3	58%	0.579	37%	0.367	S	S	*	.	H	α-helix	trans	-67	-50.2	179.9	0	0	0	0	110.5	D17 I21 K22 E23	D17-A19 PolarHBondContact O-N 3.28Å; A19-I21 PolarHBondContact O-N 3.35Å; A19-K22 PolarHBondContact O-N 3.37Å; A19-E23 WeakPolarHBondContact O-CB 3.5Å; A19-E23 PolarHBondContact O-N 2.87Å
20	G	98	Very high	96.2	Very high	8 Å²	8	71.7 Å²	71.7	8%	0.082	37%	0.372	C	S	.	.	H	α-helix	trans	-64.3	-38.2	177.7	0	0	0	0	113.3	D17 K22 E23 A24	D17-G20 PolarHBondContact O-N 3.43Å; D17-G20 PolarHBondContact OD1-N 2.87Å; D17-G20 WeakPolarHBondContact OD2-CA 3.4Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.02Å; G20-E23 PolarHBondContact O-N 3.04Å; G20-A24 VanDerWaalsContact O-CB 3.27Å; G20-A24 WeakPolarHBondContact O-CB 3.2Å; G20-A24 PolarHBondContact O-N 3.12Å
21	I	98	Very high	96.2	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.005	36%	0.355	C	S	.	.	H	α-helix	trans	-60.6	-44.7	175.6	-70.6	156.4	0	0	110.8	H5 Q16 D17 A19 S25 Y59 P79 L80	H5-I21 HydrophobicContact CB-CG1 4.16Å; Q16-I21 HydrophobicContact CB-CD1 4.09Å; D17-I21 WeakPolarHBondContact O-CB 3.24Å; D17-I21 VanDerWaalsContact O-CD1 3.32Å; D17-I21 WeakPolarHBondContact O-CD1 3.12Å; D17-I21 VanDerWaalsContact O-CG1 3.25Å; D17-I21 WeakPolarHBondContact O-CG1 3.35Å; D17-I21 PolarHBondContact O-N 3.29Å; A19-I21 PolarHBondContact O-N 3.35Å; I21-S25 VanDerWaalsContact O-CB 3.3Å; I21-S25 WeakPolarHBondContact O-CB 3.36Å; I21-S25 PolarHBondContact O-N 3.19Å; I21-Y59 HydrophobicContact CG2-CD1 3.88Å; I21-Y59 HydrophobicContact CG2-CD2 4.05Å; I21-Y59 HydrophobicContact CG2-CE1 4.21Å; I21-Y59 HydrophobicContact CG2-CE2 4.36Å; I21-Y59 HydrophobicContact CG2-CG 3.8Å; I21-P79 HydrophobicContact CD1-CB 3.68Å; I21-P79 HydrophobicContact CG1-CB 4.2Å; I21-P79 HydrophobicContact CG2-CB 4.15Å; I21-P79 HydrophobicContact CG2-CG 3.9Å; I21-L80 HydrophobicContact CD1-CD2 4.2Å; I21-L80 HydrophobicContact CD1-CG 4.14Å; I21-L80 HydrophobicContact CG2-CD1 4.25Å
22	K	97.3	Very high	96.2	Very high	89 Å²	89	66.1 Å²	66.1	39%	0.387	33%	0.332	S	S	.	.	H	α-helix	trans	-66.5	-41.6	177.4	-77.1	173.2	170.2	175.5	112	E18 A19 G20 S25 L26 Y59	E18-K22 HydrophobicContact CG-CD 4.08Å; E18-K22 WeakPolarHBondContact O-CB 3.2Å; E18-K22 WeakPolarHBondContact O-CG 3.36Å; E18-K22 PolarHBondContact O-N 3.19Å; E18-K22 VanDerWaalsContact O-N 3.13Å; E18-K22 WeakPolarHBondContact OE1-CE 3.39Å; E18-K22 IonicContact OE1-NZ 2.65Å; E18-K22 PolarHBondContact OE1-NZ 2.91Å; A19-K22 PolarHBondContact O-N 3.37Å; G20-K22 VanDerWaalsContact C-N 3.34Å; G20-K22 PolarHBondContact O-N 3.02Å; K22-S25 WeakPolarHBondContact O-CB 3.2Å; K22-S25 PolarHBondContact O-N 3.2Å; K22-L26 WeakPolarHBondContact O-CG 3.41Å; K22-L26 PolarHBondContact O-N 2.7Å; K22-Y59 WeakPolarHBondContact CE-OH 3.41Å; K22-Y59 HydrophobicContact CG-CE1 4.17Å; K22-Y59 WeakPolarHBondContact CG-OH 3.44Å
23	E	97.7	Very high	96.4	Very high	138 Å²	138	62 Å²	62	65%	0.645	32%	0.315	S	S	*	.	H	α-helix	trans	-63.6	-48.3	177.2	-175.6	173.4	-170.9	0	111.6	A19 G20 S25 L26 E27	A19-E23 WeakPolarHBondContact O-CB 3.5Å; A19-E23 PolarHBondContact O-N 2.87Å; G20-E23 PolarHBondContact O-N 3.04Å; E23-S25 VanDerWaalsContact C-N 3.29Å; E23-S25 PolarHBondContact O-N 3.12Å; E23-L26 PolarHBondContact O-N 3.31Å; E23-L26 VanDerWaalsContact O-N 3.14Å; E23-E27 PolarHBondContact O-N 3.4Å
24	A	97.9	Very high	96.5	Very high	5 Å²	5	57.5 Å²	57.5	4%	0.041	30%	0.298	C	S	.	.	H	α-helix	trans	-59.5	-40.1	176	0	0	0	0	112.2	W4 G20 E27 L28 V56	W4-A24 HydrophobicContact CB-CB 4.09Å; W4-A24 HydrophobicContact CE3-CB 4.18Å; W4-A24 WeakPolarHBondContact O-CB 3.31Å; G20-A24 VanDerWaalsContact O-CB 3.27Å; G20-A24 WeakPolarHBondContact O-CB 3.2Å; G20-A24 PolarHBondContact O-N 3.12Å; A24-E27 PolarHBondContact O-N 2.96Å; A24-L28 PolarHBondContact O-N 3.44Å; A24-V56 HydrophobicContact CB-CG1 3.91Å; A24-V56 HydrophobicContact CB-CG2 3.87Å
25	S	97.3	Very high	96.6	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-47.1	174	-178.9	0	0	0	111.8	I21 K22 E23 E27 L28 G29 N60 I64	I21-S25 VanDerWaalsContact O-CB 3.3Å; I21-S25 WeakPolarHBondContact O-CB 3.36Å; I21-S25 PolarHBondContact O-N 3.19Å; K22-S25 WeakPolarHBondContact O-CB 3.2Å; K22-S25 PolarHBondContact O-N 3.2Å; E23-S25 VanDerWaalsContact C-N 3.29Å; E23-S25 PolarHBondContact O-N 3.12Å; S25-E27 VanDerWaalsContact C-N 3.33Å; S25-E27 PolarHBondContact O-N 3.34Å; S25-L28 PolarHBondContact O-N 2.88Å; S25-G29 PolarHBondContact O-N 3.12Å; S25-N60 PolarHBondContact O-ND2 3.07Å; S25-N60 VanDerWaalsContact OG-CA 3.23Å; S25-N60 WeakPolarHBondContact OG-CA 3.36Å; S25-N60 VanDerWaalsContact OG-CB 3.31Å; S25-N60 WeakPolarHBondContact OG-CB 3.46Å; S25-I64 WeakPolarHBondContact OG-CD1 3.23Å
26	L	96.6	Very high	96.4	Very high	108 Å²	108	56.3 Å²	56.3	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-63.3	-39.9	177.1	-71.5	170.9	0	0	111.9	K22 E23 G29 K30 I64	K22-L26 WeakPolarHBondContact O-CG 3.41Å; K22-L26 PolarHBondContact O-N 2.7Å; E23-L26 PolarHBondContact O-N 3.31Å; E23-L26 VanDerWaalsContact O-N 3.14Å; L26-G29 PolarHBondContact O-N 2.94Å; L26-K30 WeakPolarHBondContact O-CG 3.43Å; L26-K30 PolarHBondContact O-N 2.91Å; L26-I64 HydrophobicContact CD2-CD1 4.23Å
27	E	96.8	Very high	96.3	Very high	73 Å²	73	61.2 Å²	61.2	34%	0.341	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-43.4	177.3	-164.9	64	-166.5	0	111.8	E23 A24 S25 G29 K30 F31	E23-E27 PolarHBondContact O-N 3.4Å; A24-E27 PolarHBondContact O-N 2.96Å; S25-E27 VanDerWaalsContact C-N 3.33Å; S25-E27 PolarHBondContact O-N 3.34Å; E27-G29 VanDerWaalsContact C-N 3.29Å; E27-G29 PolarHBondContact O-N 3.4Å; E27-K30 WeakPolarHBondContact O-CB 3.45Å; E27-K30 PolarHBondContact O-N 3.45Å; E27-K30 VanDerWaalsContact O-N 3.1Å; E27-K30 WeakPolarHBondContact OE2-CD 3.44Å; E27-K30 WeakPolarHBondContact OE2-CE 3.4Å; E27-K30 IonicContact OE2-NZ 2.62Å; E27-K30 PolarHBondContact OE2-NZ 2.89Å; E27-F31 HydrophobicContact CG-CE2 3.96Å; E27-F31 HydrophobicContact CG-CZ 4.5Å; E27-F31 VanDerWaalsContact O-CD2 3.29Å; E27-F31 WeakPolarHBondContact O-CD2 3.48Å; E27-F31 PolarHBondContact O-N 3.3Å
28	L	96.4	Very high	96.3	Very high	32 Å²	32	64 Å²	64	17%	0.168	34%	0.339	C	S	.	.	H	α-helix	trans	-57.1	-43	171.8	177.7	58	0	0	111.8	A24 S25 K30 F31 V32 I47 V56 A57 N60	A24-L28 PolarHBondContact O-N 3.44Å; S25-L28 PolarHBondContact O-N 2.88Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.08Å; L28-F31 PolarHBondContact O-N 3.17Å; L28-V32 PolarHBondContact O-N 3.14Å; L28-I47 HydrophobicContact CD2-CD1 4.13Å; L28-V56 HydrophobicContact CD2-CG1 4.3Å; L28-A57 HydrophobicContact CD2-CB 4.36Å; L28-N60 HydrophobicContact CD2-CB 3.9Å
29	G	95.6	Very high	96.2	Very high	7 Å²	7	64 Å²	64	7%	0.072	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-35.7	176.1	0	0	0	0	113.4	S25 L26 E27 V32 D33 L66	S25-G29 PolarHBondContact O-N 3.12Å; L26-G29 PolarHBondContact O-N 2.94Å; E27-G29 VanDerWaalsContact C-N 3.29Å; E27-G29 PolarHBondContact O-N 3.4Å; G29-V32 PolarHBondContact O-N 3.41Å; G29-D33 WeakPolarHBondContact O-CB 3.33Å; G29-D33 PolarHBondContact O-N 3.19Å; G29-L66 WeakPolarHBondContact O-CD1 3.42Å
30	K	95.6	Very high	96	Very high	123 Å²	123	62.8 Å²	62.8	54%	0.535	34%	0.34	S	S	.	.	H	α-helix	trans	-66.6	-38.6	176.7	-66	174.8	-161.6	160.4	112.4	L26 E27 L28 V32 D33 A34	L26-K30 WeakPolarHBondContact O-CG 3.43Å; L26-K30 PolarHBondContact O-N 2.91Å; E27-K30 WeakPolarHBondContact O-CB 3.45Å; E27-K30 PolarHBondContact O-N 3.45Å; E27-K30 VanDerWaalsContact O-N 3.1Å; E27-K30 WeakPolarHBondContact OE2-CD 3.44Å; E27-K30 WeakPolarHBondContact OE2-CE 3.4Å; E27-K30 IonicContact OE2-NZ 2.62Å; E27-K30 PolarHBondContact OE2-NZ 2.89Å; L28-K30 VanDerWaalsContact C-N 3.29Å; L28-K30 PolarHBondContact O-N 3.08Å; K30-V32 VanDerWaalsContact C-N 3.34Å; K30-D33 PolarHBondContact O-N 2.99Å; K30-A34 WeakPolarHBondContact O-CB 2.94Å; K30-A34 PolarHBondContact O-N 3.38Å
31	F	95	Very high	95.7	Very high	115 Å²	115	65.9 Å²	65.9	50%	0.504	36%	0.359	S	S	.	.	H	α-helix	trans	-62	-44.7	175	-68.9	-59.6	0	0	111	E27 L28 A34 E35	E27-F31 HydrophobicContact CG-CE2 3.96Å; E27-F31 HydrophobicContact CG-CZ 4.5Å; E27-F31 VanDerWaalsContact O-CD2 3.29Å; E27-F31 WeakPolarHBondContact O-CD2 3.48Å; E27-F31 PolarHBondContact O-N 3.3Å; L28-F31 PolarHBondContact O-N 3.17Å; F31-A34 WeakPolarHBondContact O-CB 3.47Å; F31-A34 PolarHBondContact O-N 2.98Å; F31-E35 WeakPolarHBondContact O-CG 3.39Å; F31-E35 PolarHBondContact O-N 2.75Å
32	V	94.4	Very high	95.2	Very high	11 Å²	11	71.1 Å²	71.1	7%	0.067	39%	0.386	C	S	.	.	H	α-helix	trans	-63.6	-45.1	178	172.2	0	0	0	111.7	L28 G29 K30 A34 E35 I36 T45 I47 L66 Y68	L28-V32 PolarHBondContact O-N 3.14Å; G29-V32 PolarHBondContact O-N 3.41Å; K30-V32 VanDerWaalsContact C-N 3.34Å; V32-A34 VanDerWaalsContact C-N 3.27Å; V32-A34 PolarHBondContact O-N 3.48Å; V32-E35 PolarHBondContact O-N 3.46Å; V32-I36 HydrophobicContact CG1-CD1 3.99Å; V32-I36 WeakPolarHBondContact O-CG1 3.48Å; V32-I36 PolarHBondContact O-N 2.96Å; V32-T45 HydrophobicContact CG1-CG2 3.83Å; V32-T45 HydrophobicContact CG2-CG2 4.29Å; V32-I47 HydrophobicContact CG2-CG2 3.8Å; V32-L66 HydrophobicContact CB-CD1 4.29Å; V32-L66 HydrophobicContact CG1-CD1 4.28Å; V32-Y68 HydrophobicContact CB-CE1 4.41Å; V32-Y68 HydrophobicContact CG1-CE1 4Å; V32-Y68 HydrophobicContact CG2-CE1 3.99Å
33	D	93.9	Very high	94.7	Very high	59 Å²	59	68.2 Å²	68.2	32%	0.316	38%	0.381	S	S	.	.	H	α-helix	trans	-61.3	-36.1	176.2	177.3	64.1	0	0	112.1	G29 K30 I36 K37	G29-D33 WeakPolarHBondContact O-CB 3.33Å; G29-D33 PolarHBondContact O-N 3.19Å; K30-D33 PolarHBondContact O-N 2.99Å; D33-I36 PolarHBondContact O-N 2.95Å; D33-K37 WeakPolarHBondContact O-CB 3.43Å; D33-K37 VanDerWaalsContact O-CG 3.27Å; D33-K37 WeakPolarHBondContact O-CG 3.46Å; D33-K37 PolarHBondContact O-N 3.35Å; D33-K37 WeakPolarHBondContact OD1-CE 3.43Å; D33-K37 IonicContact OD1-NZ 2.7Å; D33-K37 WeakPolarHBondContact OD2-CE 3.39Å; D33-K37 IonicContact OD2-NZ 3.73Å; D33-K37 PolarHBondContact OD2-NZ 2.99Å
34	A	95.4	Very high	94.4	Very high	50 Å²	50	67.3 Å²	67.3	41%	0.413	38%	0.381	S	S	.	.	H	α-helix	trans	-64.5	-41.9	174	0	0	0	0	112.3	K30 F31 V32 K37 A38	K30-A34 WeakPolarHBondContact O-CB 2.94Å; K30-A34 PolarHBondContact O-N 3.38Å; F31-A34 WeakPolarHBondContact O-CB 3.47Å; F31-A34 PolarHBondContact O-N 2.98Å; V32-A34 VanDerWaalsContact C-N 3.27Å; V32-A34 PolarHBondContact O-N 3.48Å; A34-K37 PolarHBondContact O-N 3.06Å; A34-A38 WeakPolarHBondContact O-CB 3.46Å; A34-A38 PolarHBondContact O-N 3.31Å
35	E	95.7	Very high	94.2	Very high	111 Å²	111	67.8 Å²	67.8	52%	0.519	38%	0.383	S	S	.	.	H	α-helix	trans	-65.3	-41.3	176.3	-67.3	-55.4	132.4	0	112.1	F31 V32 K37 A38 G39 V40	F31-E35 WeakPolarHBondContact O-CG 3.39Å; F31-E35 PolarHBondContact O-N 2.75Å; V32-E35 PolarHBondContact O-N 3.46Å; E35-K37 VanDerWaalsContact C-N 3.33Å; E35-K37 PolarHBondContact O-N 2.89Å; E35-A38 CarbonylContact O-C 3.43Å; E35-A38 WeakPolarHBondContact O-CB 3.19Å; E35-A38 PolarHBondContact O-N 3.45Å; E35-A38 VanDerWaalsContact O-N 3.12Å; E35-G39 PolarHBondContact O-N 3.48Å; E35-V40 HydrophobicContact CB-CB 4.39Å; E35-V40 HydrophobicContact CB-CG2 4.01Å; E35-V40 WeakPolarHBondContact O-CB 3.44Å; E35-V40 WeakPolarHBondContact O-CG2 3.48Å; E35-V40 PolarHBondContact O-N 2.98Å
36	I	93.3	Very high	94.1	Very high	41 Å²	41	72 Å²	72	21%	0.21	41%	0.409	C	S	.	.	H	α-helix	trans	-60.8	-44.8	174.3	-67.4	167.9	0	0	110.2	V32 D33 A38 G39 I42	V32-I36 HydrophobicContact CG1-CD1 3.99Å; V32-I36 WeakPolarHBondContact O-CG1 3.48Å; V32-I36 PolarHBondContact O-N 2.96Å; D33-I36 PolarHBondContact O-N 2.95Å; I36-A38 VanDerWaalsContact C-N 3.25Å; I36-A38 PolarHBondContact O-N 3.24Å; I36-G39 PolarHBondContact O-N 3.46Å; I36-I42 HydrophobicContact CG2-CG1 4.01Å
37	K	94.4	Very high	94.1	Very high	157 Å²	157	67.4 Å²	67.4	68%	0.683	39%	0.385	S	S	*	.	H	α-helix	trans	-64.9	-28.5	175.6	-74.2	168.5	178.7	169.5	113.1	D33 A34 E35 G39	D33-K37 WeakPolarHBondContact O-CB 3.43Å; D33-K37 VanDerWaalsContact O-CG 3.27Å; D33-K37 WeakPolarHBondContact O-CG 3.46Å; D33-K37 PolarHBondContact O-N 3.35Å; D33-K37 WeakPolarHBondContact OD1-CE 3.43Å; D33-K37 IonicContact OD1-NZ 2.7Å; D33-K37 WeakPolarHBondContact OD2-CE 3.39Å; D33-K37 IonicContact OD2-NZ 3.73Å; D33-K37 PolarHBondContact OD2-NZ 2.99Å; A34-K37 PolarHBondContact O-N 3.06Å; E35-K37 VanDerWaalsContact C-N 3.33Å; E35-K37 PolarHBondContact O-N 2.89Å; K37-G39 PolarHBondContact O-N 3.19Å
38	A	96.6	Very high	94.1	Very high	83 Å²	83	66.3 Å²	66.3	69%	0.686	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-5.7	173.5	0	0	0	0	113.3	A34 E35 I36	A34-A38 WeakPolarHBondContact O-CB 3.46Å; A34-A38 PolarHBondContact O-N 3.31Å; E35-A38 CarbonylContact O-C 3.43Å; E35-A38 WeakPolarHBondContact O-CB 3.19Å; E35-A38 PolarHBondContact O-N 3.45Å; E35-A38 VanDerWaalsContact O-N 3.12Å; I36-A38 VanDerWaalsContact C-N 3.25Å; I36-A38 PolarHBondContact O-N 3.24Å
39	G	95.6	Very high	94.2	Very high	59 Å²	59	65.9 Å²	65.9	61%	0.608	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	110.5	7.5	172.7	0	0	0	0	115.1	E35 I36 K37 P41	E35-G39 PolarHBondContact O-N 3.48Å; I36-G39 PolarHBondContact O-N 3.46Å; K37-G39 PolarHBondContact O-N 3.19Å; G39-P41 WeakPolarHBondContact O-CD 3.32Å
40	V	94.7	Very high	94.3	Very high	45 Å²	45	72 Å²	72	27%	0.273	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-64.2	122.9	169.7	177.2	0	0	0	108.6	E35 I42 N44	E35-V40 HydrophobicContact CB-CB 4.39Å; E35-V40 HydrophobicContact CB-CG2 4.01Å; E35-V40 WeakPolarHBondContact O-CB 3.44Å; E35-V40 WeakPolarHBondContact O-CG2 3.48Å; E35-V40 PolarHBondContact O-N 2.98Å; V40-I42 PolarHBondContact O-N 2.94Å; V40-N44 HydrophobicContact CG1-CB 4.41Å
41	P	92	Very high	94.4	Very high	73 Å²	73	68 Å²	68	47%	0.474	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-58.7	137.5	178.3	-24.8	34.8	0	0	111.5	G39 G43 N44	G39-P41 WeakPolarHBondContact O-CD 3.32Å; P41-G43 PolarHBondContact O-N 3.02Å; P41-N44 HydrophobicContact CB-CB 4.48Å; P41-N44 PolarHBondContact O-N 2.83Å; P41-N44 VanDerWaalsContact O-N 3.11Å
42	I	86.8	Confident	94.4	Very high	111 Å²	111	64.5 Å²	64.5	57%	0.569	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	126.7	163.8	-54.8	178.4	0	0	106.9	I36 V40 Q67	I36-I42 HydrophobicContact CG2-CG1 4.01Å; V40-I42 PolarHBondContact O-N 2.94Å; I42-Q67 HydrophobicContact CG2-CB 4.14Å
43	G	86.5	Confident	94.5	Very high	29 Å²	29	64.6 Å²	64.6	30%	0.299	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	5.9	-171.9	0	0	0	0	115.3	P41 D69	P41-G43 PolarHBondContact O-N 3.02Å; G43-D69 VanDerWaalsContact C-OD1 3.28Å; G43-D69 VanDerWaalsContact CA-CG 3.48Å; G43-D69 WeakPolarHBondContact CA-OD1 3.17Å; G43-D69 WeakPolarHBondContact CA-OD2 3.31Å; G43-D69 VanDerWaalsContact O-OD1 3.09Å; G43-D69 VanDerWaalsContact O-OD2 3.09Å
44	N	92.3	Very high	94.7	Very high	118 Å²	118	61.8 Å²	61.8	63%	0.631	39%	0.386	S	S	*	.			trans	-124.9	31	173.8	-73.1	13.5	0	0	113.3	V40 P41 D69	V40-N44 HydrophobicContact CG1-CB 4.41Å; P41-N44 HydrophobicContact CB-CB 4.48Å; P41-N44 PolarHBondContact O-N 2.83Å; P41-N44 VanDerWaalsContact O-N 3.11Å; N44-D69 PolarHBondContact N-OD2 2.96Å
45	T	93.8	Very high	94.8	Very high	16 Å²	16	59.4 Å²	59.4	10%	0.098	37%	0.366	C	S	.	.			trans	-119.9	117.1	-174.9	-58.1	0	0	0	111.8	V32 I47 Y68 D69	V32-T45 HydrophobicContact CG1-CG2 3.83Å; V32-T45 HydrophobicContact CG2-CG2 4.29Å; T45-I47 HydrophobicContact CG2-CG2 4.36Å; T45-Y68 HydrophobicContact CG2-CD1 4.05Å; T45-Y68 HydrophobicContact CG2-CE1 4.41Å; T45-D69 PolarHBondContact N-OD2 3.27Å; T45-D69 PolarHBondContact O-N 3.04Å
46	V	95.4	Very high	94.9	Very high	92 Å²	92	54.3 Å²	54.3	56%	0.558	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.7	167.5	176.1	0	0	0	108.7	G70 V72	V46-G70 WeakPolarHBondContact CA-O 3.23Å; V46-V72 HydrophobicContact CG1-CG2 4Å
47	I	96.5	Very high	95.1	Very high	11 Å²	11	52.4 Å²	52.4	6%	0.056	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	153.3	171.8	59.8	169.4	0	0	110.6	L28 V32 T45 A57 N60 A61 Y68 G70 A71 V72	L28-I47 HydrophobicContact CD2-CD1 4.13Å; V32-I47 HydrophobicContact CG2-CG2 3.8Å; T45-I47 HydrophobicContact CG2-CG2 4.36Å; I47-A57 WeakPolarHBondContact CD1-O 3.27Å; I47-N60 HydrophobicContact CD1-CB 4.36Å; I47-N60 VanDerWaalsContact CD1-OD1 3.26Å; I47-N60 WeakPolarHBondContact CD1-OD1 3.33Å; I47-A61 HydrophobicContact CD1-CB 4Å; I47-Y68 HydrophobicContact CD1-CD1 4.11Å; I47-Y68 HydrophobicContact CD1-CD2 4.03Å; I47-Y68 HydrophobicContact CD1-CE1 3.92Å; I47-Y68 HydrophobicContact CD1-CE2 3.83Å; I47-Y68 HydrophobicContact CD1-CG 4.18Å; I47-Y68 HydrophobicContact CG1-CD1 4.03Å; I47-Y68 HydrophobicContact CG1-CD2 4.48Å; I47-Y68 HydrophobicContact CG1-CE1 4.24Å; I47-Y68 HydrophobicContact CG1-CG 4.18Å; I47-Y68 HydrophobicContact CG2-CD1 3.77Å; I47-Y68 HydrophobicContact CG2-CE1 3.58Å; I47-G70 PolarHBondContact N-O 3.05Å; I47-A71 HydrophobicContact CG1-CB 4.47Å; I47-A71 CarbonylContact O-C 3.56Å; I47-A71 WeakPolarHBondContact O-CA 3.46Å; I47-V72 PolarHBondContact O-N 3.19Å
48	G	97.2	Very high	95.2	Very high	49 Å²	49	46.2 Å²	46.2	51%	0.505	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	172.8	177.5	0	0	0	0	113.8	V72	G48-V72 CarbonylContact C-O 3.53Å; G48-V72 WeakPolarHBondContact CA-O 3.3Å
49	G	97.8	Very high	95.2	Very high	24 Å²	24	43 Å²	43	25%	0.247	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	174.7	179.4	0	0	0	0	113.9	G54 V72 S74	G49-G54 VanDerWaalsContact C-CA 3.4Å; G49-G54 WeakPolarHBondContact O-CA 3.26Å; G49-V72 PolarHBondContact N-O 3.36Å; G49-S74 PolarHBondContact O-N 3.03Å
50	F	98.1	Very high	95.3	Very high	135 Å²	135	40.2 Å²	40.2	59%	0.592	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.8	177.3	179.6	-95.8	0	0	110.8	G53 G54 S74	F50-G53 PolarHBondContact O-N 3.34Å; F50-G54 PolarHBondContact O-N 3.45Å; F50-S74 VanDerWaalsContact CA-O 3.31Å; F50-S74 WeakPolarHBondContact CA-O 3.45Å; F50-S74 WeakPolarHBondContact CD2-O 3.4Å
51	S	96.1	Very high	95.3	Very high	38 Å²	38	38.2 Å²	38.2	27%	0.266	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	-120.5	175.7	-167.1	0	0	0	111.9	G53 G54 S55 S74 S75 C76	S51-G53 PolarHBondContact O-N 3.14Å; S51-G54 PolarHBondContact O-N 3.36Å; S51-S55 PolarHBondContact O-N 3.15Å; S51-S55 PolarHBondContact O-OG 3.17Å; S51-S55 VanDerWaalsContact O-OG 3.14Å; S51-S74 PolarHBondContact N-O 2.86Å; S51-S75 WeakPolarHBondContact CA-O 3.44Å; S51-C76 WeakPolarHBondContact O-CB 3.17Å
52	P	95	Very high	95.4	Very high	43 Å²	43	36 Å²	36	28%	0.279	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-29.2	-177.8	27.9	-34.3	0	0	112.9	I7 S55 V56 W77	I7-P52 HydrophobicContact CD1-CB 4.43Å; P52-S55 WeakPolarHBondContact O-CB 3.17Å; P52-S55 PolarHBondContact O-N 3.07Å; P52-V56 WeakPolarHBondContact O-CG2 3.5Å; P52-V56 PolarHBondContact O-N 2.67Å; P52-V56 VanDerWaalsContact O-N 3.11Å; P52-W77 HydrophobicContact CB-CH2 4.1Å
53	G	97.1	Very high	95.8	Very high	13 Å²	13	32.1 Å²	32.1	13%	0.134	20%	0.202	C	C	.	.	H	α-helix	trans	-68.5	-36.5	174.7	0	0	0	0	112.6	F50 S51 S55 V56 A57	F50-G53 PolarHBondContact O-N 3.34Å; S51-G53 PolarHBondContact O-N 3.14Å; G53-S55 VanDerWaalsContact C-N 3.32Å; G53-V56 PolarHBondContact O-N 3.05Å; G53-A57 PolarHBondContact O-N 3.34Å
54	G	97.8	Very high	95.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.4	-36.2	173.2	0	0	0	0	111.9	G49 F50 S51 A57 L58	G49-G54 VanDerWaalsContact C-CA 3.4Å; G49-G54 WeakPolarHBondContact O-CA 3.26Å; F50-G54 PolarHBondContact O-N 3.45Å; S51-G54 PolarHBondContact O-N 3.36Å; G54-A57 PolarHBondContact O-N 3.26Å; G54-L58 WeakPolarHBondContact O-CB 3.43Å; G54-L58 WeakPolarHBondContact O-CG 3.06Å; G54-L58 PolarHBondContact O-N 2.72Å
55	S	97.3	Very high	95.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-41.6	176	-55.5	0	0	0	112.2	S51 P52 G53 Y59 W77 P79	S51-S55 PolarHBondContact O-N 3.15Å; S51-S55 PolarHBondContact O-OG 3.17Å; S51-S55 VanDerWaalsContact O-OG 3.14Å; P52-S55 WeakPolarHBondContact O-CB 3.17Å; P52-S55 PolarHBondContact O-N 3.07Å; G53-S55 VanDerWaalsContact C-N 3.32Å; S55-Y59 WeakPolarHBondContact O-CB 3.37Å; S55-Y59 PolarHBondContact O-N 3.26Å; S55-W77 VanDerWaalsContact CA-O 3.28Å; S55-W77 WeakPolarHBondContact CA-O 3.23Å; S55-W77 VanDerWaalsContact CB-O 3.23Å; S55-W77 WeakPolarHBondContact CB-O 3.28Å; S55-W77 VanDerWaalsContact OG-CE3 3.31Å; S55-W77 PolarHBondContact OG-N 3.19Å; S55-W77 PolarHBondContact OG-O 3.41Å; S55-P79 VanDerWaalsContact O-CD 3.23Å; S55-P79 WeakPolarHBondContact O-CD 3.47Å; S55-P79 WeakPolarHBondContact O-CG 3.44Å
56	V	97.7	Very high	95	Very high	3 Å²	3	34 Å²	34	2%	0.018	21%	0.208	C	C	.	.	H	α-helix	trans	-65.8	-45.2	173.7	173.5	0	0	0	111.2	W4 A24 L28 P52 G53 L58 Y59 N60	W4-V56 HydrophobicContact CB-CG2 3.76Å; W4-V56 HydrophobicContact CG-CG2 4.1Å; A24-V56 HydrophobicContact CB-CG1 3.91Å; A24-V56 HydrophobicContact CB-CG2 3.87Å; L28-V56 HydrophobicContact CD2-CG1 4.3Å; P52-V56 WeakPolarHBondContact O-CG2 3.5Å; P52-V56 PolarHBondContact O-N 2.67Å; P52-V56 VanDerWaalsContact O-N 3.11Å; G53-V56 PolarHBondContact O-N 3.05Å; V56-L58 VanDerWaalsContact C-N 3.35Å; V56-L58 PolarHBondContact O-N 3.06Å; V56-Y59 PolarHBondContact O-N 3.25Å; V56-N60 WeakPolarHBondContact O-CB 3.31Å; V56-N60 PolarHBondContact O-N 3.45Å
57	A	97.4	Very high	94.5	Very high	2 Å²	2	36 Å²	36	2%	0.017	21%	0.212	C	C	.	.	H	α-helix	trans	-59.9	-43.4	177.7	0	0	0	0	112	L28 I47 G53 G54 N60 A61	L28-A57 HydrophobicContact CD2-CB 4.36Å; I47-A57 WeakPolarHBondContact CD1-O 3.27Å; G53-A57 PolarHBondContact O-N 3.34Å; G54-A57 PolarHBondContact O-N 3.26Å; A57-N60 PolarHBondContact O-N 2.88Å; A57-A61 WeakPolarHBondContact O-CB 3.48Å; A57-A61 PolarHBondContact O-N 3.38Å
58	L	96.8	Very high	94.3	Very high	26 Å²	26	35.9 Å²	35.9	14%	0.136	21%	0.211	C	C	.	.	H	α-helix	trans	-61.3	-51.1	174.9	-79.8	178.5	0	0	112.3	G54 V56 N60 A61 L62 A73 L78 V99	G54-L58 WeakPolarHBondContact O-CB 3.43Å; G54-L58 WeakPolarHBondContact O-CG 3.06Å; G54-L58 PolarHBondContact O-N 2.72Å; V56-L58 VanDerWaalsContact C-N 3.35Å; V56-L58 PolarHBondContact O-N 3.06Å; L58-N60 VanDerWaalsContact C-N 3.29Å; L58-N60 PolarHBondContact O-N 3.19Å; L58-A61 PolarHBondContact O-N 3.37Å; L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 WeakPolarHBondContact O-CD1 3.47Å; L58-L62 WeakPolarHBondContact O-CG 3.41Å; L58-L62 PolarHBondContact O-N 2.62Å; L58-L62 VanDerWaalsContact O-N 3.08Å; L58-A73 HydrophobicContact CD1-CB 3.74Å; L58-A73 HydrophobicContact CD2-CB 3.51Å; L58-A73 HydrophobicContact CG-CB 3.5Å; L58-L78 HydrophobicContact CB-CD1 4.38Å; L58-V99 HydrophobicContact CD2-CG1 3.67Å
59	Y	97.3	Very high	94.1	Very high	17 Å²	17	36.7 Å²	36.7	7%	0.067	20%	0.203	C	C	.	.	H	α-helix	trans	-60.8	-42.4	-179.8	-178.5	-90.1	0	0	111.6	I21 K22 S55 V56 L62 T63 P79 L80 F84	I21-Y59 HydrophobicContact CG2-CD1 3.88Å; I21-Y59 HydrophobicContact CG2-CD2 4.05Å; I21-Y59 HydrophobicContact CG2-CE1 4.21Å; I21-Y59 HydrophobicContact CG2-CE2 4.36Å; I21-Y59 HydrophobicContact CG2-CG 3.8Å; K22-Y59 WeakPolarHBondContact CE-OH 3.41Å; K22-Y59 HydrophobicContact CG-CE1 4.17Å; K22-Y59 WeakPolarHBondContact CG-OH 3.44Å; S55-Y59 WeakPolarHBondContact O-CB 3.37Å; S55-Y59 PolarHBondContact O-N 3.26Å; V56-Y59 PolarHBondContact O-N 3.25Å; Y59-L62 PolarHBondContact O-N 3.01Å; Y59-T63 HydrophobicContact CD2-CG2 4.33Å; Y59-T63 HydrophobicContact CE1-CG2 4.24Å; Y59-T63 WeakPolarHBondContact CE1-OG1 3.5Å; Y59-T63 HydrophobicContact CE2-CG2 3.99Å; Y59-T63 WeakPolarHBondContact O-CB 3.47Å; Y59-T63 WeakPolarHBondContact O-CG2 3.31Å; Y59-T63 PolarHBondContact O-N 3.43Å; Y59-T63 VanDerWaalsContact O-N 3.12Å; Y59-T63 PolarHBondContact O-OG1 3.37Å; Y59-P79 HydrophobicContact CD2-CG 4.23Å; Y59-P79 HydrophobicContact CG-CG 4.24Å; Y59-L80 HydrophobicContact CD2-CD1 4.47Å; Y59-L80 HydrophobicContact CE2-CB 4.34Å; Y59-L80 HydrophobicContact CE2-CD1 3.74Å; Y59-L80 HydrophobicContact CE2-CG 4.43Å; Y59-F84 AromaticContact CD2-CE2 3.97Å; Y59-F84 HydrophobicContact CD2-CE2 3.97Å; Y59-F84 AromaticContact CD2-CZ 3.91Å; Y59-F84 HydrophobicContact CD2-CZ 3.91Å; Y59-F84 HydrophobicContact CE2-CE2 4.2Å; Y59-F84 HydrophobicContact CE2-CZ 4.11Å
60	N	96.8	Very high	94	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.6	-53.4	176.9	174.2	-71.9	0	0	111.8	S25 L28 I47 V56 A57 L58 L62 T63 I64 Y68	S25-N60 PolarHBondContact O-ND2 3.07Å; S25-N60 VanDerWaalsContact OG-CA 3.23Å; S25-N60 WeakPolarHBondContact OG-CA 3.36Å; S25-N60 VanDerWaalsContact OG-CB 3.31Å; S25-N60 WeakPolarHBondContact OG-CB 3.46Å; L28-N60 HydrophobicContact CD2-CB 3.9Å; I47-N60 HydrophobicContact CD1-CB 4.36Å; I47-N60 VanDerWaalsContact CD1-OD1 3.26Å; I47-N60 WeakPolarHBondContact CD1-OD1 3.33Å; V56-N60 WeakPolarHBondContact O-CB 3.31Å; V56-N60 PolarHBondContact O-N 3.45Å; A57-N60 PolarHBondContact O-N 2.88Å; L58-N60 VanDerWaalsContact C-N 3.29Å; L58-N60 PolarHBondContact O-N 3.19Å; N60-L62 PolarHBondContact O-N 3.28Å; N60-L62 VanDerWaalsContact O-N 3.17Å; N60-T63 PolarHBondContact O-N 3.11Å; N60-T63 VanDerWaalsContact O-N 3.14Å; N60-I64 VanDerWaalsContact ND2-CD1 3.31Å; N60-I64 WeakPolarHBondContact ND2-CD1 3.23Å; N60-I64 WeakPolarHBondContact O-CB 3.41Å; N60-I64 PolarHBondContact O-N 3.36Å; N60-Y68 WeakPolarHBondContact OD1-CE2 3.4Å; N60-Y68 PolarHBondContact OD1-OH 3.1Å
61	A	95.4	Very high	93.9	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.017	16%	0.164	C	C	.	.	H	α-helix	trans	-52.6	-41.7	178.5	0	0	0	0	111.6	I47 A57 L58 Y68 A71 M93	I47-A61 HydrophobicContact CD1-CB 4Å; A57-A61 WeakPolarHBondContact O-CB 3.48Å; A57-A61 PolarHBondContact O-N 3.38Å; L58-A61 PolarHBondContact O-N 3.37Å; A61-Y68 HydrophobicContact CB-CD2 4.27Å; A61-A71 HydrophobicContact CB-CB 3.99Å; A61-M93 HydrophobicContact CB-SD 3.96Å; A61-M93 VanDerWaalsContact O-CB 3.31Å; A61-M93 WeakPolarHBondContact O-CB 3.46Å; A61-M93 WeakPolarHBondContact O-CG 3.48Å
62	L	95.2	Very high	93.9	Very high	28 Å²	28	30.5 Å²	30.5	15%	0.147	17%	0.17	C	C	.	.	H	α-helix	trans	-79	-22.1	-174.9	-67.1	170.5	0	0	114.5	L58 Y59 N60 L78 F84 L90 L91 T92 M93	L58-L62 WeakPolarHBondContact O-CB 3.37Å; L58-L62 WeakPolarHBondContact O-CD1 3.47Å; L58-L62 WeakPolarHBondContact O-CG 3.41Å; L58-L62 PolarHBondContact O-N 2.62Å; L58-L62 VanDerWaalsContact O-N 3.08Å; Y59-L62 PolarHBondContact O-N 3.01Å; N60-L62 PolarHBondContact O-N 3.28Å; N60-L62 VanDerWaalsContact O-N 3.17Å; L62-L78 HydrophobicContact CD1-CD1 3.53Å; L62-L78 HydrophobicContact CD1-CD2 4.34Å; L62-F84 HydrophobicContact CB-CE1 3.87Å; L62-F84 HydrophobicContact CB-CZ 4.08Å; L62-F84 HydrophobicContact CD1-CE1 4.49Å; L62-F84 HydrophobicContact CD1-CZ 4.39Å; L62-L90 VanDerWaalsContact O-O 3.09Å; L62-L91 HydrophobicContact CB-CD2 4.07Å; L62-L91 HydrophobicContact CD2-CD2 3.9Å; L62-L91 HydrophobicContact CG-CD2 4.4Å; L62-L91 CarbonylContact O-C 3.58Å; L62-L91 WeakPolarHBondContact O-CA 3.32Å; L62-T92 PolarHBondContact O-N 3.14Å; L62-T92 PolarHBondContact O-OG1 3.01Å; L62-M93 HydrophobicContact CD2-CB 4.35Å; L62-M93 HydrophobicContact CD2-CE 3.79Å; L62-M93 HydrophobicContact CD2-SD 4.11Å
63	T	95	Very high	94	Very high	29 Å²	29	29.3 Å²	29.3	18%	0.178	17%	0.165	C	C	.	.	H	α-helix	trans	-121.3	-17.2	-169.7	61.6	0	0	0	115.7	Y59 N60 F84 T92	Y59-T63 HydrophobicContact CD2-CG2 4.33Å; Y59-T63 HydrophobicContact CE1-CG2 4.24Å; Y59-T63 WeakPolarHBondContact CE1-OG1 3.5Å; Y59-T63 HydrophobicContact CE2-CG2 3.99Å; Y59-T63 WeakPolarHBondContact O-CB 3.47Å; Y59-T63 WeakPolarHBondContact O-CG2 3.31Å; Y59-T63 PolarHBondContact O-N 3.43Å; Y59-T63 VanDerWaalsContact O-N 3.12Å; Y59-T63 PolarHBondContact O-OG1 3.37Å; N60-T63 PolarHBondContact O-N 3.11Å; N60-T63 VanDerWaalsContact O-N 3.14Å; T63-F84 HydrophobicContact CG2-CE1 3.64Å; T63-F84 HydrophobicContact CG2-CZ 3.56Å; T63-T92 WeakPolarHBondContact CA-OG1 3.25Å; T63-T92 PolarHBondContact O-OG1 2.98Å
64	I	88.3	Confident	94	Very high	30 Å²	30	31.4 Å²	31.4	15%	0.154	18%	0.177	C	C	.	.			trans	-95.7	150.2	179.2	-58.8	-154.9	0	0	109.8	S25 L26 N60 L66 T92	S25-I64 WeakPolarHBondContact OG-CD1 3.23Å; L26-I64 HydrophobicContact CD2-CD1 4.23Å; N60-I64 VanDerWaalsContact ND2-CD1 3.31Å; N60-I64 WeakPolarHBondContact ND2-CD1 3.23Å; N60-I64 WeakPolarHBondContact O-CB 3.41Å; N60-I64 PolarHBondContact O-N 3.36Å; I64-L66 VanDerWaalsContact C-N 3.31Å; I64-L66 HydrophobicContact CG2-CB 4.08Å; I64-L66 HydrophobicContact CG2-CD1 4.07Å; I64-L66 HydrophobicContact CG2-CG 3.84Å; I64-T92 PolarHBondContact N-OG1 2.9Å; I64-T92 PolarHBondContact O-OG1 3.48Å
65	T	83.7	Confident	94	Very high	124 Å²	124	35.8 Å²	35.8	76%	0.761	21%	0.207	S	C	*	.			trans	-88.6	8	-178.5	55.9	0	0	0	113.8	T92	T65-T92 HydrophobicContact CG2-CG2 4.45Å
66	L	83.4	Confident	94	Very high	47 Å²	47	37.4 Å²	37.4	25%	0.246	22%	0.219	C	C	.	.	S	Bend	trans	-70.9	139.5	173.5	-71.6	173.6	0	0	108.5	G29 V32 I64 Y68	G29-L66 WeakPolarHBondContact O-CD1 3.42Å; V32-L66 HydrophobicContact CB-CD1 4.29Å; V32-L66 HydrophobicContact CG1-CD1 4.28Å; I64-L66 VanDerWaalsContact C-N 3.31Å; I64-L66 HydrophobicContact CG2-CB 4.08Å; I64-L66 HydrophobicContact CG2-CD1 4.07Å; I64-L66 HydrophobicContact CG2-CG 3.84Å; L66-Y68 HydrophobicContact CB-CE1 4.22Å; L66-Y68 HydrophobicContact CB-CE2 4.17Å; L66-Y68 WeakPolarHBondContact CD1-OH 3.49Å; L66-Y68 PolarHBondContact O-N 3.33Å
67	Q	85.7	Confident	93.9	Very high	134 Å²	134	41.6 Å²	41.6	63%	0.626	23%	0.234	S	C	*	.			trans	-79	115.4	178.6	-69.6	-173.4	-16.5	0	109.4	I42	I42-Q67 HydrophobicContact CG2-CB 4.14Å
68	Y	91.6	Very high	93.9	Very high	10 Å²	10	44 Å²	44	4%	0.039	25%	0.247	C	C	.	.			trans	-108.1	138.8	170.6	-56.5	-59.9	0	0	109.2	V32 T45 I47 N60 A61 L66 G70 V97	V32-Y68 HydrophobicContact CB-CE1 4.41Å; V32-Y68 HydrophobicContact CG1-CE1 4Å; V32-Y68 HydrophobicContact CG2-CE1 3.99Å; T45-Y68 HydrophobicContact CG2-CD1 4.05Å; T45-Y68 HydrophobicContact CG2-CE1 4.41Å; I47-Y68 HydrophobicContact CD1-CD1 4.11Å; I47-Y68 HydrophobicContact CD1-CD2 4.03Å; I47-Y68 HydrophobicContact CD1-CE1 3.92Å; I47-Y68 HydrophobicContact CD1-CE2 3.83Å; I47-Y68 HydrophobicContact CD1-CG 4.18Å; I47-Y68 HydrophobicContact CG1-CD1 4.03Å; I47-Y68 HydrophobicContact CG1-CD2 4.48Å; I47-Y68 HydrophobicContact CG1-CE1 4.24Å; I47-Y68 HydrophobicContact CG1-CG 4.18Å; I47-Y68 HydrophobicContact CG2-CD1 3.77Å; I47-Y68 HydrophobicContact CG2-CE1 3.58Å; N60-Y68 WeakPolarHBondContact OD1-CE2 3.4Å; N60-Y68 PolarHBondContact OD1-OH 3.1Å; A61-Y68 HydrophobicContact CB-CD2 4.27Å; L66-Y68 HydrophobicContact CB-CE1 4.22Å; L66-Y68 HydrophobicContact CB-CE2 4.17Å; L66-Y68 WeakPolarHBondContact CD1-OH 3.49Å; L66-Y68 PolarHBondContact O-N 3.33Å; Y68-G70 VanDerWaalsContact C-N 3.31Å; Y68-V97 WeakPolarHBondContact O-CG1 3.16Å; Y68-V97 VanDerWaalsContact O-CG2 3.27Å; Y68-V97 WeakPolarHBondContact O-CG2 3.46Å
69	D	93	Very high	93.8	Very high	65 Å²	65	42.8 Å²	42.8	35%	0.348	24%	0.24	S	C	.	.	S	Bend	trans	-88.9	-6.4	175	-57.8	-76.2	0	0	112.4	G43 N44 T45 P98	G43-D69 VanDerWaalsContact C-OD1 3.28Å; G43-D69 VanDerWaalsContact CA-CG 3.48Å; G43-D69 WeakPolarHBondContact CA-OD1 3.17Å; G43-D69 WeakPolarHBondContact CA-OD2 3.31Å; G43-D69 VanDerWaalsContact O-OD1 3.09Å; G43-D69 VanDerWaalsContact O-OD2 3.09Å; N44-D69 PolarHBondContact N-OD2 2.96Å; T45-D69 PolarHBondContact N-OD2 3.27Å; T45-D69 PolarHBondContact O-N 3.04Å; D69-P98 VanDerWaalsContact O-CD 3.24Å; D69-P98 WeakPolarHBondContact O-CD 3.47Å; D69-P98 WeakPolarHBondContact O-CG 3.36Å
70	G	94.6	Very high	93.8	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.01	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	163.9	170.6	0	0	0	0	112.3	V46 I47 Y68 P98	V46-G70 WeakPolarHBondContact CA-O 3.23Å; I47-G70 PolarHBondContact N-O 3.05Å; Y68-G70 VanDerWaalsContact C-N 3.31Å; G70-P98 CarbonylContact C-O 3.59Å; G70-P98 WeakPolarHBondContact CA-O 3.19Å
71	A	95.9	Very high	93.7	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.008	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	139.8	167.8	0	0	0	0	110.6	I47 A61 P98 V99 F100	I47-A71 HydrophobicContact CG1-CB 4.47Å; I47-A71 CarbonylContact O-C 3.56Å; I47-A71 WeakPolarHBondContact O-CA 3.46Å; A61-A71 HydrophobicContact CB-CB 3.99Å; A71-P98 PolarHBondContact N-O 3.25Å; A71-V99 HydrophobicContact CB-CG1 4.35Å; A71-V99 HydrophobicContact CB-CG2 4.28Å; A71-V99 CarbonylContact O-C 3.47Å; A71-V99 WeakPolarHBondContact O-CA 3.27Å; A71-F100 PolarHBondContact O-N 2.95Å
72	V	97.5	Very high	93.6	Very high	65 Å²	65	49.2 Å²	49.2	39%	0.394	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.1	174.1	-177.7	0	0	0	110.1	V46 I47 G48 G49 F100	V46-V72 HydrophobicContact CG1-CG2 4Å; I47-V72 PolarHBondContact O-N 3.19Å; G48-V72 CarbonylContact C-O 3.53Å; G48-V72 WeakPolarHBondContact CA-O 3.3Å; G49-V72 PolarHBondContact N-O 3.36Å; V72-F100 CarbonylContact C-O 3.56Å; V72-F100 WeakPolarHBondContact CA-O 3.35Å; V72-F100 HydrophobicContact CG2-CB 4.42Å; V72-F100 HydrophobicContact CG2-CD2 4.38Å
73	A	97.2	Very high	93.6	Very high	19 Å²	19	51.2 Å²	51.2	16%	0.157	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	84.9	-167	0	0	0	0	110.7	L58 C76 F100	L58-A73 HydrophobicContact CD1-CB 3.74Å; L58-A73 HydrophobicContact CD2-CB 3.51Å; L58-A73 HydrophobicContact CG-CB 3.5Å; A73-C76 VanDerWaalsContact C-SG 3.59Å; A73-C76 VanDerWaalsContact CB-SG 3.59Å; A73-F100 PolarHBondContact N-O 3.41Å
74	S	97.4	Very high	93.5	Very high	57 Å²	57	50.7 Å²	50.7	40%	0.399	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	121	-172.8	-169.5	0	0	0	112.5	G49 F50 S51 C76	G49-S74 PolarHBondContact O-N 3.03Å; F50-S74 VanDerWaalsContact CA-O 3.31Å; F50-S74 WeakPolarHBondContact CA-O 3.45Å; F50-S74 WeakPolarHBondContact CD2-O 3.4Å; S51-S74 PolarHBondContact N-O 2.86Å; S74-C76 VanDerWaalsContact C-N 3.26Å; S74-C76 PolarHBondContact O-N 3.3Å
75	S	97.2	Very high	93.6	Very high	91 Å²	91	57 Å²	57	64%	0.636	31%	0.31	S	S	*	.	S	Bend	trans	49.5	44.4	174.5	-57.2	0	0	0	113.6	S51	S51-S75 WeakPolarHBondContact CA-O 3.44Å
76	C	97	Very high	94.1	Very high	35 Å²	35	55.3 Å²	55.3	24%	0.236	30%	0.303	C	S	.	.			trans	-123.5	-169	-176.8	65.6	0	0	0	111.6	S51 A73 S74	S51-C76 WeakPolarHBondContact O-CB 3.17Å; A73-C76 VanDerWaalsContact C-SG 3.59Å; A73-C76 VanDerWaalsContact CB-SG 3.59Å; S74-C76 VanDerWaalsContact C-N 3.26Å; S74-C76 PolarHBondContact O-N 3.3Å
77	W	96.2	Very high	94.6	Very high	91 Å²	91	55.4 Å²	55.4	35%	0.345	31%	0.308	S	S	.	.			trans	-138.8	161.3	177	64.2	95.8	0	0	109.9	I7 P52 S55 P79	I7-W77 HydrophobicContact CD1-CH2 4.15Å; P52-W77 HydrophobicContact CB-CH2 4.1Å; S55-W77 VanDerWaalsContact CA-O 3.28Å; S55-W77 WeakPolarHBondContact CA-O 3.23Å; S55-W77 VanDerWaalsContact CB-O 3.23Å; S55-W77 WeakPolarHBondContact CB-O 3.28Å; S55-W77 VanDerWaalsContact OG-CE3 3.31Å; S55-W77 PolarHBondContact OG-N 3.19Å; S55-W77 PolarHBondContact OG-O 3.41Å; W77-P79 VanDerWaalsContact O-CD 3.23Å; W77-P79 WeakPolarHBondContact O-CD 3.29Å
78	L	96	Very high	94.7	Very high	53 Å²	53	53.2 Å²	53.2	28%	0.277	31%	0.305	S	S	.	.			trans	-81.3	110.4	169.4	178.8	60.7	0	0	109.1	L58 L62 H81 F84	L58-L78 HydrophobicContact CB-CD1 4.38Å; L62-L78 HydrophobicContact CD1-CD1 3.53Å; L62-L78 HydrophobicContact CD1-CD2 4.34Å; L78-H81 HydrophobicContact CB-CB 4.35Å; L78-H81 HydrophobicContact CD2-CB 4.19Å; L78-H81 HydrophobicContact CG-CB 4.19Å; L78-F84 HydrophobicContact CD1-CD2 4.32Å; L78-F84 HydrophobicContact CD1-CE2 3.71Å; L78-F84 HydrophobicContact CD1-CZ 4.16Å; L78-F84 HydrophobicContact CD2-CD2 3.87Å; L78-F84 HydrophobicContact CD2-CE2 4.12Å; L78-F84 HydrophobicContact CD2-CG 4.43Å; L78-F84 HydrophobicContact CG-CD2 4.19Å; L78-F84 HydrophobicContact CG-CE2 4.03Å
79	P	96.4	Very high	94.7	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	151.7	175.5	33.3	-35.3	0	0	109.5	Q16 I21 S55 Y59 W77 H81	Q16-P79 VanDerWaalsContact OE1-CA 3.3Å; I21-P79 HydrophobicContact CD1-CB 3.68Å; I21-P79 HydrophobicContact CG1-CB 4.2Å; I21-P79 HydrophobicContact CG2-CB 4.15Å; I21-P79 HydrophobicContact CG2-CG 3.9Å; S55-P79 VanDerWaalsContact O-CD 3.23Å; S55-P79 WeakPolarHBondContact O-CD 3.47Å; S55-P79 WeakPolarHBondContact O-CG 3.44Å; Y59-P79 HydrophobicContact CD2-CG 4.23Å; Y59-P79 HydrophobicContact CG-CG 4.24Å; W77-P79 VanDerWaalsContact O-CD 3.23Å; W77-P79 WeakPolarHBondContact O-CD 3.29Å; P79-H81 PolarHBondContact O-N 3Å; P79-H81 VanDerWaalsContact O-N 3.17Å
80	L	96.1	Very high	94.6	Very high	10 Å²	10	58.5 Å²	58.5	5%	0.052	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	28.7	-177	-48.7	177.1	0	0	113.4	Q16 E18 I21 Y59 T82 K83	Q16-L80 HydrophobicContact CB-CD2 4Å; E18-L80 HydrophobicContact CB-CD1 4.14Å; E18-L80 HydrophobicContact CB-CD2 3.94Å; E18-L80 HydrophobicContact CG-CD1 3.77Å; E18-L80 HydrophobicContact CG-CD2 4.36Å; I21-L80 HydrophobicContact CD1-CD2 4.2Å; I21-L80 HydrophobicContact CD1-CG 4.14Å; I21-L80 HydrophobicContact CG2-CD1 4.25Å; Y59-L80 HydrophobicContact CD2-CD1 4.47Å; Y59-L80 HydrophobicContact CE2-CB 4.34Å; Y59-L80 HydrophobicContact CE2-CD1 3.74Å; Y59-L80 HydrophobicContact CE2-CG 4.43Å; L80-T82 PolarHBondContact O-N 3.36Å; L80-T82 VanDerWaalsContact O-N 3.07Å; L80-K83 HydrophobicContact CB-CB 4.49Å; L80-K83 HydrophobicContact CB-CD 4.42Å; L80-K83 HydrophobicContact CB-CG 4.29Å; L80-K83 WeakPolarHBondContact O-CB 3.47Å; L80-K83 PolarHBondContact O-N 2.84Å
81	H	94.6	Very high	94.6	Very high	56 Å²	56	62.7 Å²	62.7	26%	0.259	36%	0.36	S	S	.	.	H	α-helix	trans	-50.1	-36.3	-176.4	61.6	-92.9	0	0	114	L78 P79 K83 F84	L78-H81 HydrophobicContact CB-CB 4.35Å; L78-H81 HydrophobicContact CD2-CB 4.19Å; L78-H81 HydrophobicContact CG-CB 4.19Å; P79-H81 PolarHBondContact O-N 3Å; P79-H81 VanDerWaalsContact O-N 3.17Å; H81-K83 PolarHBondContact O-N 3.31Å; H81-F84 PolarHBondContact O-N 3.28Å
82	T	94.1	Very high	94.4	Very high	87 Å²	87	65.4 Å²	65.4	53%	0.534	38%	0.377	S	S	.	.	H	α-helix	trans	-62.2	-30.2	177	52.9	0	0	0	113	L80 M85 S86	L80-T82 PolarHBondContact O-N 3.36Å; L80-T82 VanDerWaalsContact O-N 3.07Å; T82-M85 PolarHBondContact O-N 3.13Å; T82-S86 PolarHBondContact O-N 3.38Å; T82-S86 VanDerWaalsContact O-N 3.14Å
83	K	94.7	Very high	94.1	Very high	71 Å²	71	64.1 Å²	64.1	31%	0.309	37%	0.367	S	S	.	.	H	α-helix	trans	-70.5	-33.6	178.6	-63.9	-157.4	175.8	-151.8	112.9	E18 L80 H81 M85 S86 S87 L90	E18-K83 IonicContact OE1-NZ 2.64Å; E18-K83 PolarHBondContact OE1-NZ 2.98Å; E18-K83 WeakPolarHBondContact OE2-CE 3.34Å; E18-K83 IonicContact OE2-NZ 2.71Å; E18-K83 PolarHBondContact OE2-NZ 3.44Å; L80-K83 HydrophobicContact CB-CB 4.49Å; L80-K83 HydrophobicContact CB-CD 4.42Å; L80-K83 HydrophobicContact CB-CG 4.29Å; L80-K83 WeakPolarHBondContact O-CB 3.47Å; L80-K83 PolarHBondContact O-N 2.84Å; H81-K83 PolarHBondContact O-N 3.31Å; K83-M85 VanDerWaalsContact C-N 3.26Å; K83-M85 PolarHBondContact O-N 2.89Å; K83-S86 WeakPolarHBondContact CA-OG 3.45Å; K83-S86 PolarHBondContact O-N 3.14Å; K83-S86 PolarHBondContact O-OG 2.93Å; K83-S87 WeakPolarHBondContact O-CA 3.46Å; K83-S87 WeakPolarHBondContact O-CB 3.38Å; K83-S87 PolarHBondContact O-N 2.71Å; K83-L90 HydrophobicContact CB-CD1 3.79Å
84	F	93.8	Very high	93.7	Very high	17 Å²	17	66.5 Å²	66.5	8%	0.075	38%	0.381	C	S	.	.	H	α-helix	trans	-66.1	-32.7	175.5	-69.1	-83	0	0	111.7	Y59 L62 T63 L78 H81 L90 L91	Y59-F84 AromaticContact CD2-CE2 3.97Å; Y59-F84 HydrophobicContact CD2-CE2 3.97Å; Y59-F84 AromaticContact CD2-CZ 3.91Å; Y59-F84 HydrophobicContact CD2-CZ 3.91Å; Y59-F84 HydrophobicContact CE2-CE2 4.2Å; Y59-F84 HydrophobicContact CE2-CZ 4.11Å; L62-F84 HydrophobicContact CB-CE1 3.87Å; L62-F84 HydrophobicContact CB-CZ 4.08Å; L62-F84 HydrophobicContact CD1-CE1 4.49Å; L62-F84 HydrophobicContact CD1-CZ 4.39Å; T63-F84 HydrophobicContact CG2-CE1 3.64Å; T63-F84 HydrophobicContact CG2-CZ 3.56Å; L78-F84 HydrophobicContact CD1-CD2 4.32Å; L78-F84 HydrophobicContact CD1-CE2 3.71Å; L78-F84 HydrophobicContact CD1-CZ 4.16Å; L78-F84 HydrophobicContact CD2-CD2 3.87Å; L78-F84 HydrophobicContact CD2-CE2 4.12Å; L78-F84 HydrophobicContact CD2-CG 4.43Å; L78-F84 HydrophobicContact CG-CD2 4.19Å; L78-F84 HydrophobicContact CG-CE2 4.03Å; H81-F84 PolarHBondContact O-N 3.28Å; F84-L90 HydrophobicContact CD1-CB 4.14Å; F84-L90 HydrophobicContact CE1-CB 4.23Å; F84-L91 HydrophobicContact CD1-CD2 3.37Å; F84-L91 HydrophobicContact CD1-CG 3.82Å; F84-L91 HydrophobicContact CE1-CD2 3.63Å; F84-L91 HydrophobicContact CE1-CG 4.38Å; F84-L91 HydrophobicContact CG-CD2 4.43Å
85	M	90.4	Very high	93.4	Very high	164 Å²	164	74 Å²	74	81%	0.808	41%	0.407	S	S	*	.	H	α-helix	trans	-72.1	-40.2	174.7	-63.8	-64.2	-72.7	0	112.2	T82 K83	T82-M85 PolarHBondContact O-N 3.13Å; K83-M85 VanDerWaalsContact C-N 3.26Å; K83-M85 PolarHBondContact O-N 2.89Å
86	S	94.3	Very high	93.1	Very high	87 Å²	87	76.4 Å²	76.4	61%	0.608	41%	0.412	S	S	*	.	H	α-helix	trans	-79	-27.3	179.8	65.7	0	0	0	113.7	T82 K83	T82-S86 PolarHBondContact O-N 3.38Å; T82-S86 VanDerWaalsContact O-N 3.14Å; K83-S86 WeakPolarHBondContact CA-OG 3.45Å; K83-S86 PolarHBondContact O-N 3.14Å; K83-S86 PolarHBondContact O-OG 2.93Å
87	S	93.1	Very high	92.8	Very high	49 Å²	49	75.7 Å²	75.7	34%	0.343	41%	0.407	S	S	.	.			trans	-135.3	77.5	-173.7	-57.4	0	0	0	110.7	K83 T89 L90	K83-S87 WeakPolarHBondContact O-CA 3.46Å; K83-S87 WeakPolarHBondContact O-CB 3.38Å; K83-S87 PolarHBondContact O-N 2.71Å; S87-T89 PolarHBondContact O-N 2.64Å; S87-L90 WeakPolarHBondContact O-CB 3.36Å; S87-L90 WeakPolarHBondContact O-CG 3.46Å; S87-L90 PolarHBondContact O-N 2.65Å
88	P	88	Confident	92.7	Very high	88 Å²	88	74 Å²	74	57%	0.571	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-57.4	-22.6	-179.4	-26.6	35.5	0	0	114.1	L90 L91	P88-L90 PolarHBondContact O-N 2.7Å; P88-L91 WeakPolarHBondContact O-CB 3.36Å; P88-L91 PolarHBondContact O-N 3.01Å; P88-L91 VanDerWaalsContact O-N 3.12Å
89	T	91.2	Very high	92.7	Very high	129 Å²	129	74.7 Å²	74.7	79%	0.791	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-66.5	-11.3	175	58.1	0	0	0	113.9	S87	S87-T89 PolarHBondContact O-N 2.64Å
90	L	92.2	Very high	92.5	Very high	58 Å²	58	83.1 Å²	83.1	30%	0.304	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-69.4	-22.4	171	-69.9	175.2	0	0	112.4	L62 K83 F84 S87 P88 T92	L62-L90 VanDerWaalsContact O-O 3.09Å; K83-L90 HydrophobicContact CB-CD1 3.79Å; F84-L90 HydrophobicContact CD1-CB 4.14Å; F84-L90 HydrophobicContact CE1-CB 4.23Å; S87-L90 WeakPolarHBondContact O-CB 3.36Å; S87-L90 WeakPolarHBondContact O-CG 3.46Å; S87-L90 PolarHBondContact O-N 2.65Å; P88-L90 PolarHBondContact O-N 2.7Å; L90-T92 PolarHBondContact O-N 3.39Å
91	L	92.6	Very high	92.3	Very high	88 Å²	88	86.8 Å²	86.8	46%	0.461	47%	0.471	S	S	.	.			trans	-79.4	104.6	178	-66.1	172.7	0	0	110.2	L62 F84 P88	L62-L91 HydrophobicContact CB-CD2 4.07Å; L62-L91 HydrophobicContact CD2-CD2 3.9Å; L62-L91 HydrophobicContact CG-CD2 4.4Å; L62-L91 CarbonylContact O-C 3.58Å; L62-L91 WeakPolarHBondContact O-CA 3.32Å; F84-L91 HydrophobicContact CD1-CD2 3.37Å; F84-L91 HydrophobicContact CD1-CG 3.82Å; F84-L91 HydrophobicContact CE1-CD2 3.63Å; F84-L91 HydrophobicContact CE1-CG 4.38Å; F84-L91 HydrophobicContact CG-CD2 4.43Å; P88-L91 WeakPolarHBondContact O-CB 3.36Å; P88-L91 PolarHBondContact O-N 3.01Å; P88-L91 VanDerWaalsContact O-N 3.12Å
92	T	92.7	Very high	92.2	Very high	59 Å²	59	88.4 Å²	88.4	36%	0.362	48%	0.482	S	S	.	.			trans	-101.8	-17.7	177.2	56	0	0	0	113.1	L62 T63 I64 T65 L90	L62-T92 PolarHBondContact O-N 3.14Å; L62-T92 PolarHBondContact O-OG1 3.01Å; T63-T92 WeakPolarHBondContact CA-OG1 3.25Å; T63-T92 PolarHBondContact O-OG1 2.98Å; I64-T92 PolarHBondContact N-OG1 2.9Å; I64-T92 PolarHBondContact O-OG1 3.48Å; T65-T92 HydrophobicContact CG2-CG2 4.45Å; L90-T92 PolarHBondContact O-N 3.39Å
93	M	90.9	Very high	92.1	Very high	37 Å²	37	88.5 Å²	88.5	18%	0.182	48%	0.479	C	S	.	.	S	Bend	trans	-64.8	132.3	-177.8	-160.7	178.1	73.8	0	111.9	A61 L62 V97 V99	A61-M93 HydrophobicContact CB-SD 3.96Å; A61-M93 VanDerWaalsContact O-CB 3.31Å; A61-M93 WeakPolarHBondContact O-CB 3.46Å; A61-M93 WeakPolarHBondContact O-CG 3.48Å; L62-M93 HydrophobicContact CD2-CB 4.35Å; L62-M93 HydrophobicContact CD2-CE 3.79Å; L62-M93 HydrophobicContact CD2-SD 4.11Å; M93-V97 HydrophobicContact CE-CB 4.38Å; M93-V97 HydrophobicContact CG-CB 4.02Å; M93-V97 HydrophobicContact CG-CG1 4.27Å; M93-V97 HydrophobicContact CG-CG2 4.27Å; M93-V97 HydrophobicContact SD-CB 4.18Å; M93-V97 HydrophobicContact SD-CG1 3.99Å; M93-V99 HydrophobicContact CE-CG2 3.64Å; M93-V99 HydrophobicContact SD-CG2 4.2Å
94	P	89.5	Confident	91.9	Very high	70 Å²	70	89.5 Å²	89.5	46%	0.455	49%	0.489	S	S	.	.			trans	-59.3	144.6	169.9	-20.3	31.6	0	0	111.7	D96 V97	P94-D96 WeakPolarHBondContact CB-OD1 3.43Å; P94-D96 PolarHBondContact O-N 3.28Å; P94-V97 HydrophobicContact CB-CG2 4.04Å; P94-V97 HydrophobicContact CG-CG2 4.16Å; P94-V97 PolarHBondContact O-N 3.02Å
95	K	89.7	Confident	91.8	Very high	215 Å²	215	94.1 Å²	94.1	94%	0.935	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.9	-173.6	-66.7	-176.6	179.3	179.5	114
96	D	91.5	Very high	91.9	Very high	140 Å²	140	89.4 Å²	89.4	75%	0.749	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-7	177.9	57.5	-32.5	0	0	113	P94 P98	P94-D96 WeakPolarHBondContact CB-OD1 3.43Å; P94-D96 PolarHBondContact O-N 3.28Å; D96-P98 WeakPolarHBondContact O-CD 3.48Å
97	V	91.5	Very high	91.7	Very high	21 Å²	21	89.6 Å²	89.6	13%	0.127	49%	0.487	C	S	.	.	S	Bend	trans	-72.3	119.7	172	177.6	0	0	0	109.3	Y68 M93 P94	Y68-V97 WeakPolarHBondContact O-CG1 3.16Å; Y68-V97 VanDerWaalsContact O-CG2 3.27Å; Y68-V97 WeakPolarHBondContact O-CG2 3.46Å; M93-V97 HydrophobicContact CE-CB 4.38Å; M93-V97 HydrophobicContact CG-CB 4.02Å; M93-V97 HydrophobicContact CG-CG1 4.27Å; M93-V97 HydrophobicContact CG-CG2 4.27Å; M93-V97 HydrophobicContact SD-CB 4.18Å; M93-V97 HydrophobicContact SD-CG1 3.99Å; P94-V97 HydrophobicContact CB-CG2 4.04Å; P94-V97 HydrophobicContact CG-CG2 4.16Å; P94-V97 PolarHBondContact O-N 3.02Å
98	P	94.5	Very high	91.6	Very high	54 Å²	54	92.7 Å²	92.7	35%	0.351	50%	0.498	S	S	.	.			trans	-71.4	139.4	-179.9	30.4	-35.9	0	0	111.6	D69 G70 A71 D96 F100	D69-P98 VanDerWaalsContact O-CD 3.24Å; D69-P98 WeakPolarHBondContact O-CD 3.47Å; D69-P98 WeakPolarHBondContact O-CG 3.36Å; G70-P98 CarbonylContact C-O 3.59Å; G70-P98 WeakPolarHBondContact CA-O 3.19Å; A71-P98 PolarHBondContact N-O 3.25Å; D96-P98 WeakPolarHBondContact O-CD 3.48Å; P98-F100 HydrophobicContact CB-CD2 4.39Å; P98-F100 HydrophobicContact CB-CE2 3.6Å; P98-F100 HydrophobicContact CB-CZ 3.79Å; P98-F100 HydrophobicContact CG-CE2 3.93Å; P98-F100 HydrophobicContact CG-CZ 4.37Å
99	V	94	Very high	92	Very high	68 Å²	68	93.1 Å²	93.1	41%	0.412	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-121	123.5	171	-176.9	0	0	0	107.9	L58 A71 M93	L58-V99 HydrophobicContact CD2-CG1 3.67Å; A71-V99 HydrophobicContact CB-CG1 4.35Å; A71-V99 HydrophobicContact CB-CG2 4.28Å; A71-V99 CarbonylContact O-C 3.47Å; A71-V99 WeakPolarHBondContact O-CA 3.27Å; M93-V99 HydrophobicContact CE-CG2 3.64Å; M93-V99 HydrophobicContact SD-CG2 4.2Å
100	F	93.2	Very high	92	Very high	178 Å²	178	89.8 Å²	89.8	78%	0.781	47%	0.465	S	S	*	.			trans	-111.5	0	-178.3	-60	-81	0	0	111.9	A71 V72 A73 P98	A71-F100 PolarHBondContact O-N 2.95Å; V72-F100 CarbonylContact C-O 3.56Å; V72-F100 WeakPolarHBondContact CA-O 3.35Å; V72-F100 HydrophobicContact CG2-CB 4.42Å; V72-F100 HydrophobicContact CG2-CD2 4.38Å; A73-F100 PolarHBondContact N-O 3.41Å; P98-F100 HydrophobicContact CB-CD2 4.39Å; P98-F100 HydrophobicContact CB-CE2 3.6Å; P98-F100 HydrophobicContact CB-CZ 3.79Å; P98-F100 HydrophobicContact CG-CE2 3.93Å; P98-F100 HydrophobicContact CG-CZ 4.37Å

Retrieved 100 of 100 residues in 106.1 ms (Link to these results)

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