A0A3Q0KQ09_SCHMA Loading...

Short neuropeptide F

AlphaFold DB , UniProt , Accession A0A3Q0KQ09, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 90 aa.

						>A0A3Q0KQ09_SCHMA|A0A3Q0KQ09
MLGYVLKITIILIAWTSHFSAQFELKNYPNLPAYYGEDPSEELVKSKLKDSELYDRYRIRRHFMPQRFGKRYTRFVPQRFGKRLYEMMDR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	61.4	Low	78.6	Confident	210 Å²	210	120.6 Å²	120.6	100%	1.034	63%	0.625	S	S	*	*				0	-55.9	0	-66.7	-77.5	-169.4	0	0	111.9	G3 Y4	M1-G3 PolarHBondContact O-N 2.93Å; M1-Y4 PolarHBondContact O-N 3.07Å
2	L	67.1	Low	79.4	Confident	156 Å²	156	120 Å²	120	82%	0.817	62%	0.622	S	S	*	*	H	α-helix	trans	-53.1	-41.8	-178.4	-90	151.1	0	0	0	115.8	Y4 V5 L6	L2-Y4 VanDerWaalsContact C-N 3.31Å; L2-Y4 PolarHBondContact O-N 3.02Å; L2-V5 PolarHBondContact O-N 3.47Å; L2-L6 PolarHBondContact O-N 2.89Å
3	G	75.4	Confident	79.8	Confident	50 Å²	50	119.2 Å²	119.2	52%	0.515	62%	0.617	S	S	.	*	H	α-helix	trans	-65.7	-29.6	-178.3	0	0	0	0	0	114.6	M1 K7	M1-G3 PolarHBondContact O-N 2.93Å; G3-K7 WeakPolarHBondContact O-CG 3.24Å; G3-K7 PolarHBondContact O-N 3.31Å
4	Y	79.7	Confident	79.9	Confident	180 Å²	180	114.8 Å²	114.8	71%	0.706	61%	0.607	S	S	*	*	H	α-helix	trans	-73.7	-41.7	176.4	-88.2	-80.8	0	0	0	111.4	M1 L2 L6 K7 I8	M1-Y4 PolarHBondContact O-N 3.07Å; L2-Y4 VanDerWaalsContact C-N 3.31Å; L2-Y4 PolarHBondContact O-N 3.02Å; Y4-L6 VanDerWaalsContact C-N 3.31Å; Y4-L6 PolarHBondContact O-N 2.78Å; Y4-K7 PolarHBondContact O-N 2.82Å; Y4-I8 VanDerWaalsContact O-CG1 3.3Å; Y4-I8 WeakPolarHBondContact O-CG1 3.29Å; Y4-I8 PolarHBondContact O-N 3.43Å
5	V	80	Confident	80.1	Confident	91 Å²	91	118.4 Å²	118.4	55%	0.552	61%	0.609	S	S	*	*	H	α-helix	trans	-59.5	-44.4	177.1	-179.7	0	0	0	0	110.4	L2 K7 I8 T9	L2-V5 PolarHBondContact O-N 3.47Å; V5-K7 PolarHBondContact O-N 3.1Å; V5-I8 PolarHBondContact O-N 3.4Å; V5-T9 WeakPolarHBondContact O-CG2 3.45Å; V5-T9 PolarHBondContact O-N 2.82Å; V5-T9 PolarHBondContact O-OG1 3.31Å
6	L	81.4	Confident	80.2	Confident	115 Å²	115	116 Å²	116	60%	0.602	60%	0.602	S	S	*	*	H	α-helix	trans	-63.2	-39.1	178.8	-157.2	90.4	0	0	0	112.8	L2 Y4 T9 I10	L2-L6 PolarHBondContact O-N 2.89Å; Y4-L6 VanDerWaalsContact C-N 3.31Å; Y4-L6 PolarHBondContact O-N 2.78Å; L6-T9 WeakPolarHBondContact CA-OG1 3.12Å; L6-T9 PolarHBondContact O-OG1 3.4Å; L6-I10 HydrophobicContact CD2-CD1 4.33Å; L6-I10 HydrophobicContact CG-CD1 4.34Å; L6-I10 WeakPolarHBondContact O-CD1 3.47Å; L6-I10 VanDerWaalsContact O-CG1 3.27Å; L6-I10 WeakPolarHBondContact O-CG1 3.35Å; L6-I10 PolarHBondContact O-N 3.45Å; L6-I10 VanDerWaalsContact O-N 3.14Å
7	K	82	Confident	79.8	Confident	141 Å²	141	113.3 Å²	113.3	61%	0.613	60%	0.595	S	S	*	*	H	α-helix	trans	-64.7	-43.3	176.2	-75.1	-179.2	179.2	-174.6	0	111.4	G3 Y4 V5 I10 I11	G3-K7 WeakPolarHBondContact O-CG 3.24Å; G3-K7 PolarHBondContact O-N 3.31Å; Y4-K7 PolarHBondContact O-N 2.82Å; V5-K7 PolarHBondContact O-N 3.1Å; K7-I10 PolarHBondContact O-N 3.47Å; K7-I11 WeakPolarHBondContact O-CD1 3.27Å; K7-I11 VanDerWaalsContact O-CG1 3.27Å; K7-I11 WeakPolarHBondContact O-CG1 3.41Å; K7-I11 PolarHBondContact O-N 3.43Å; K7-I11 VanDerWaalsContact O-N 3.1Å
8	I	84.6	Confident	79.5	Confident	107 Å²	107	113 Å²	113	55%	0.549	59%	0.59	S	S	.	*	H	α-helix	trans	-63.7	-42.7	179.3	-65.7	164.4	0	0	0	110.6	Y4 V5 I11 L12	Y4-I8 VanDerWaalsContact O-CG1 3.3Å; Y4-I8 WeakPolarHBondContact O-CG1 3.29Å; Y4-I8 PolarHBondContact O-N 3.43Å; V5-I8 PolarHBondContact O-N 3.4Å; I8-I11 PolarHBondContact O-N 3.04Å; I8-L12 WeakPolarHBondContact O-CB 3.27Å; I8-L12 PolarHBondContact O-N 2.95Å
9	T	84.1	Confident	79	Confident	61 Å²	61	112.3 Å²	112.3	37%	0.374	58%	0.582	S	S	.	*	H	α-helix	trans	-65.3	-41.3	179	54.6	0	0	0	0	112.3	V5 L6 I11 L12 I13	V5-T9 WeakPolarHBondContact O-CG2 3.45Å; V5-T9 PolarHBondContact O-N 2.82Å; V5-T9 PolarHBondContact O-OG1 3.31Å; L6-T9 WeakPolarHBondContact CA-OG1 3.12Å; L6-T9 PolarHBondContact O-OG1 3.4Å; T9-I11 VanDerWaalsContact C-N 3.34Å; T9-I11 PolarHBondContact O-N 3.48Å; T9-L12 PolarHBondContact O-N 3.41Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.46Å; T9-I13 PolarHBondContact O-N 3.45Å
10	I	83.9	Confident	78.4	Confident	101 Å²	101	110 Å²	110	52%	0.518	58%	0.576	S	S	.	*	H	α-helix	trans	-61.6	-43.6	176.3	-67.6	165.5	0	0	0	110.8	L6 K7 L12 I13 A14	L6-I10 HydrophobicContact CD2-CD1 4.33Å; L6-I10 HydrophobicContact CG-CD1 4.34Å; L6-I10 WeakPolarHBondContact O-CD1 3.47Å; L6-I10 VanDerWaalsContact O-CG1 3.27Å; L6-I10 WeakPolarHBondContact O-CG1 3.35Å; L6-I10 PolarHBondContact O-N 3.45Å; L6-I10 VanDerWaalsContact O-N 3.14Å; K7-I10 PolarHBondContact O-N 3.47Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 2.91Å; I10-I13 PolarHBondContact O-N 3.02Å; I10-A14 WeakPolarHBondContact O-CB 3.25Å; I10-A14 PolarHBondContact O-N 3.26Å
11	I	84.8	Confident	77.5	Confident	115 Å²	115	107.6 Å²	107.6	59%	0.59	57%	0.572	S	S	*	*	H	α-helix	trans	-62.9	-41.8	177.5	-66.8	164.9	0	0	0	110.6	K7 I8 T9 I13 A14 W15	K7-I11 WeakPolarHBondContact O-CD1 3.27Å; K7-I11 VanDerWaalsContact O-CG1 3.27Å; K7-I11 WeakPolarHBondContact O-CG1 3.41Å; K7-I11 PolarHBondContact O-N 3.43Å; K7-I11 VanDerWaalsContact O-N 3.1Å; I8-I11 PolarHBondContact O-N 3.04Å; T9-I11 VanDerWaalsContact C-N 3.34Å; T9-I11 PolarHBondContact O-N 3.48Å; I11-I13 PolarHBondContact O-N 2.89Å; I11-A14 PolarHBondContact O-N 3.33Å; I11-W15 WeakPolarHBondContact O-CB 3.45Å; I11-W15 PolarHBondContact O-N 3.43Å
12	L	88.9	Confident	77.6	Confident	113 Å²	113	102.5 Å²	102.5	59%	0.592	55%	0.546	S	S	*	.	H	α-helix	trans	-64	-39.9	178	-155.1	90.9	0	0	0	112.1	I8 T9 I10 W15 T16	I8-L12 WeakPolarHBondContact O-CB 3.27Å; I8-L12 PolarHBondContact O-N 2.95Å; T9-L12 PolarHBondContact O-N 3.41Å; I10-L12 VanDerWaalsContact C-N 3.33Å; I10-L12 PolarHBondContact O-N 2.91Å; L12-W15 PolarHBondContact O-N 3.06Å; L12-T16 WeakPolarHBondContact O-CB 3.24Å; L12-T16 VanDerWaalsContact O-CG2 3.28Å; L12-T16 WeakPolarHBondContact O-CG2 3.33Å; L12-T16 PolarHBondContact O-N 3.42Å; L12-T16 PolarHBondContact O-OG1 2.82Å
13	I	84.3	Confident	77.2	Confident	110 Å²	110	101.7 Å²	101.7	56%	0.564	54%	0.536	S	S	*	.	H	α-helix	trans	-67.1	-43.5	176.8	-67.1	163.5	0	0	0	110.7	T9 I10 I11 W15 T16 S17	T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.46Å; T9-I13 PolarHBondContact O-N 3.45Å; I10-I13 PolarHBondContact O-N 3.02Å; I11-I13 PolarHBondContact O-N 2.89Å; I13-W15 VanDerWaalsContact C-N 3.33Å; I13-W15 PolarHBondContact O-N 3Å; I13-T16 WeakPolarHBondContact CA-OG1 3.46Å; I13-T16 PolarHBondContact O-N 3Å; I13-T16 PolarHBondContact O-OG1 3.25Å; I13-T16 VanDerWaalsContact O-OG1 3.08Å; I13-S17 WeakPolarHBondContact O-CB 3.46Å; I13-S17 PolarHBondContact O-N 3.09Å; I13-S17 PolarHBondContact O-OG 2.77Å
14	A	80.4	Confident	76.3	Confident	57 Å²	57	105.3 Å²	105.3	47%	0.471	54%	0.539	S	S	.	.	H	α-helix	trans	-65	-37.6	177.1	0	0	0	0	0	112.3	I10 I11 S17 H18	I10-A14 WeakPolarHBondContact O-CB 3.25Å; I10-A14 PolarHBondContact O-N 3.26Å; I11-A14 PolarHBondContact O-N 3.33Å; A14-S17 PolarHBondContact O-OG 3.11Å; A14-H18 PolarHBondContact O-N 3.22Å
15	W	83.1	Confident	74.9	Confident	169 Å²	169	103.5 Å²	103.5	64%	0.64	54%	0.541	S	S	*	.	H	α-helix	trans	-66.1	-53.8	175.4	-169.1	-91.5	0	0	0	110.6	I11 L12 I13 S17 H18 F19	I11-W15 WeakPolarHBondContact O-CB 3.45Å; I11-W15 PolarHBondContact O-N 3.43Å; L12-W15 PolarHBondContact O-N 3.06Å; I13-W15 VanDerWaalsContact C-N 3.33Å; I13-W15 PolarHBondContact O-N 3Å; W15-S17 VanDerWaalsContact C-N 3.31Å; W15-S17 PolarHBondContact O-N 2.96Å; W15-H18 WeakPolarHBondContact O-CB 3.42Å; W15-H18 PolarHBondContact O-N 2.83Å; W15-H18 VanDerWaalsContact O-N 3.12Å; W15-F19 AromaticContact CD1-CD2 3.57Å; W15-F19 AromaticContact CD1-CE2 3.62Å; W15-F19 HydrophobicContact CD2-CD2 4.3Å; W15-F19 AromaticContact CD2-CE2 3.76Å; W15-F19 HydrophobicContact CD2-CE2 3.76Å; W15-F19 AromaticContact CE2-CD2 3.93Å; W15-F19 AromaticContact CE2-CE2 3.13Å; W15-F19 AromaticContact CE2-CZ 3.84Å; W15-F19 HydrophobicContact CG-CD2 4.12Å; W15-F19 HydrophobicContact CG-CE2 4.06Å; W15-F19 HydrophobicContact CH2-CE2 4.28Å; W15-F19 AromaticContact CZ2-CE2 3.44Å; W15-F19 HydrophobicContact CZ2-CE2 3.44Å; W15-F19 VanDerWaalsContact CZ2-CE2 3.44Å; W15-F19 AromaticContact CZ2-CZ 3.73Å; W15-F19 HydrophobicContact CZ2-CZ 3.73Å; W15-F19 AromaticContact NE1-CD2 3.45Å; W15-F19 AromaticContact NE1-CE2 3.03Å; W15-F19 AromaticContact NE1-CZ 3.76Å; W15-F19 VanDerWaalsContact O-CD2 3.3Å; W15-F19 WeakPolarHBondContact O-CD2 3.37Å; W15-F19 PolarHBondContact O-N 3.07Å
16	T	81.9	Confident	73.9	Confident	80 Å²	80	107.5 Å²	107.5	49%	0.491	55%	0.551	S	S	.	*	H	α-helix	trans	-61.1	-35.9	-178.8	49.9	0	0	0	0	113.1	L12 I13 F19 S20	L12-T16 WeakPolarHBondContact O-CB 3.24Å; L12-T16 VanDerWaalsContact O-CG2 3.28Å; L12-T16 WeakPolarHBondContact O-CG2 3.33Å; L12-T16 PolarHBondContact O-N 3.42Å; L12-T16 PolarHBondContact O-OG1 2.82Å; I13-T16 WeakPolarHBondContact CA-OG1 3.46Å; I13-T16 PolarHBondContact O-N 3Å; I13-T16 PolarHBondContact O-OG1 3.25Å; I13-T16 VanDerWaalsContact O-OG1 3.08Å; T16-F19 PolarHBondContact O-N 2.9Å; T16-S20 WeakPolarHBondContact O-CB 3.42Å; T16-S20 PolarHBondContact O-N 3.05Å
17	S	73.9	Confident	72.7	Confident	70 Å²	70	106.3 Å²	106.3	49%	0.49	55%	0.546	S	S	.	.	H	α-helix	trans	-66.7	-39.2	175.1	69.5	0	0	0	0	112.6	I13 A14 W15 S20 A21	I13-S17 WeakPolarHBondContact O-CB 3.46Å; I13-S17 PolarHBondContact O-N 3.09Å; I13-S17 PolarHBondContact O-OG 2.77Å; A14-S17 PolarHBondContact O-OG 3.11Å; W15-S17 VanDerWaalsContact C-N 3.31Å; W15-S17 PolarHBondContact O-N 2.96Å; S17-S20 PolarHBondContact O-N 3.47Å; S17-A21 PolarHBondContact O-N 3.21Å
18	H	74.4	Confident	71.2	Confident	108 Å²	108	106.5 Å²	106.5	50%	0.5	54%	0.543	S	S	.	.	H	α-helix	trans	-65.3	-42.4	176	-170.5	-80.3	0	0	0	111.9	A14 W15 A21 Q22	A14-H18 PolarHBondContact O-N 3.22Å; W15-H18 WeakPolarHBondContact O-CB 3.42Å; W15-H18 PolarHBondContact O-N 2.83Å; W15-H18 VanDerWaalsContact O-N 3.12Å; H18-A21 PolarHBondContact O-N 3.36Å; H18-Q22 PolarHBondContact CE1-NE2 2.97Å; H18-Q22 VanDerWaalsContact CE1-NE2 3.27Å; H18-Q22 WeakPolarHBondContact O-CG 3.21Å; H18-Q22 PolarHBondContact O-N 3.41Å; H18-Q22 VanDerWaalsContact O-N 3.13Å
19	F	69.3	Low	69.7	Low	99 Å²	99	106.4 Å²	106.4	43%	0.434	55%	0.55	S	S	.	.	H	α-helix	trans	-66.9	-38.3	175.8	-83.4	-90.8	0	0	0	112.4	W15 T16 Q22 F23	W15-F19 AromaticContact CD1-CD2 3.57Å; W15-F19 AromaticContact CD1-CE2 3.62Å; W15-F19 HydrophobicContact CD2-CD2 4.3Å; W15-F19 AromaticContact CD2-CE2 3.76Å; W15-F19 HydrophobicContact CD2-CE2 3.76Å; W15-F19 AromaticContact CE2-CD2 3.93Å; W15-F19 AromaticContact CE2-CE2 3.13Å; W15-F19 AromaticContact CE2-CZ 3.84Å; W15-F19 HydrophobicContact CG-CD2 4.12Å; W15-F19 HydrophobicContact CG-CE2 4.06Å; W15-F19 HydrophobicContact CH2-CE2 4.28Å; W15-F19 AromaticContact CZ2-CE2 3.44Å; W15-F19 HydrophobicContact CZ2-CE2 3.44Å; W15-F19 VanDerWaalsContact CZ2-CE2 3.44Å; W15-F19 AromaticContact CZ2-CZ 3.73Å; W15-F19 HydrophobicContact CZ2-CZ 3.73Å; W15-F19 AromaticContact NE1-CD2 3.45Å; W15-F19 AromaticContact NE1-CE2 3.03Å; W15-F19 AromaticContact NE1-CZ 3.76Å; W15-F19 VanDerWaalsContact O-CD2 3.3Å; W15-F19 WeakPolarHBondContact O-CD2 3.37Å; W15-F19 PolarHBondContact O-N 3.07Å; T16-F19 PolarHBondContact O-N 2.9Å; F19-Q22 PolarHBondContact O-N 3.32Å; F19-F23 WeakPolarHBondContact O-CB 3.17Å; F19-F23 PolarHBondContact O-N 3.33Å
20	S	66.6	Low	68.2	Low	66 Å²	66	110.6 Å²	110.6	46%	0.462	57%	0.57	S	S	.	*	H	α-helix	trans	-61.9	-43.8	175.6	-165.7	0	0	0	0	111.9	T16 S17 Q22 F23 E24	T16-S20 WeakPolarHBondContact O-CB 3.42Å; T16-S20 PolarHBondContact O-N 3.05Å; S17-S20 PolarHBondContact O-N 3.47Å; S20-Q22 VanDerWaalsContact C-N 3.33Å; S20-Q22 PolarHBondContact O-N 3.17Å; S20-F23 PolarHBondContact O-N 3.33Å; S20-E24 PolarHBondContact O-N 3.18Å
21	A	61.2	Low	66.7	Low	61 Å²	61	111.2 Å²	111.2	50%	0.504	57%	0.573	S	S	.	*	H	α-helix	trans	-63.5	-37.9	177.3	0	0	0	0	0	112.3	S17 H18 L25	S17-A21 PolarHBondContact O-N 3.21Å; H18-A21 PolarHBondContact O-N 3.36Å; A21-L25 PolarHBondContact O-N 3.12Å
22	Q	62.2	Low	65	Low	103 Å²	103	110.7 Å²	110.7	48%	0.481	58%	0.578	S	S	.	*	H	α-helix	trans	-70.9	-32.3	175	-71.6	-170.3	-25.2	0	0	113	H18 F19 S20 L25 K26	H18-Q22 PolarHBondContact CE1-NE2 2.97Å; H18-Q22 VanDerWaalsContact CE1-NE2 3.27Å; H18-Q22 WeakPolarHBondContact O-CG 3.21Å; H18-Q22 PolarHBondContact O-N 3.41Å; H18-Q22 VanDerWaalsContact O-N 3.13Å; F19-Q22 PolarHBondContact O-N 3.32Å; S20-Q22 VanDerWaalsContact C-N 3.33Å; S20-Q22 PolarHBondContact O-N 3.17Å; Q22-L25 PolarHBondContact O-N 3.35Å; Q22-K26 PolarHBondContact O-N 3.17Å; Q22-K26 VanDerWaalsContact O-N 3.17Å
23	F	58.4	Low	63.1	Low	138 Å²	138	108.6 Å²	108.6	61%	0.605	58%	0.577	S	S	*	*	H	α-helix	trans	-73	-38.6	178.7	-158	-103.3	0	0	0	111.9	F19 S20 L25 K26 N27	F19-F23 WeakPolarHBondContact O-CB 3.17Å; F19-F23 PolarHBondContact O-N 3.33Å; S20-F23 PolarHBondContact O-N 3.33Å; F23-L25 VanDerWaalsContact C-N 3.32Å; F23-L25 PolarHBondContact O-N 2.83Å; F23-K26 PolarHBondContact O-N 3.46Å; F23-N27 WeakPolarHBondContact CD1-ND2 2.96Å; F23-N27 WeakPolarHBondContact CE1-ND2 3.18Å; F23-N27 PolarHBondContact O-N 3.42Å; F23-N27 VanDerWaalsContact O-N 3.12Å; F23-N27 PolarHBondContact O-ND2 3.23Å
24	E	56.8	Low	61.3	Low	126 Å²	126	111.3 Å²	111.3	59%	0.589	58%	0.581	S	S	*	*	H	α-helix	trans	-63.4	-37.8	171.5	-75.4	-176	177.5	0	0	111.8	S20 K26 Y28	S20-E24 PolarHBondContact O-N 3.18Å; E24-K26 VanDerWaalsContact C-N 3.35Å; E24-K26 PolarHBondContact O-N 3.49Å; E24-Y28 WeakPolarHBondContact O-CD2 3.48Å; E24-Y28 PolarHBondContact O-N 3.46Å
25	L	51.7	Low	59.7	Low	142 Å²	142	118.4 Å²	118.4	74%	0.743	60%	0.597	S	S	*	*	H	α-helix	trans	-67.2	-33.9	177.7	-150.5	83.7	0	0	0	112.8	A21 Q22 F23	A21-L25 PolarHBondContact O-N 3.12Å; Q22-L25 PolarHBondContact O-N 3.35Å; F23-L25 VanDerWaalsContact C-N 3.32Å; F23-L25 PolarHBondContact O-N 2.83Å
26	K	57.8	Low	58.3	Low	175 Å²	175	113.2 Å²	113.2	76%	0.761	60%	0.596	S	S	*	*	H	α-helix	trans	-78.9	-32.7	178.9	-92.2	-172.5	175.2	-177.4	0	114.3	Q22 F23 E24 Y28	Q22-K26 PolarHBondContact O-N 3.17Å; Q22-K26 VanDerWaalsContact O-N 3.17Å; F23-K26 PolarHBondContact O-N 3.46Å; E24-K26 VanDerWaalsContact C-N 3.35Å; E24-K26 PolarHBondContact O-N 3.49Å; K26-Y28 VanDerWaalsContact C-N 3.3Å
27	N	56.3	Low	56.7	Low	91 Å²	91	116.7 Å²	116.7	49%	0.487	61%	0.607	S	S	.	*	H	α-helix	trans	-80.8	-13.4	-179	-72.4	-26.8	0	0	0	113.5	F23	F23-N27 WeakPolarHBondContact CD1-ND2 2.96Å; F23-N27 WeakPolarHBondContact CE1-ND2 3.18Å; F23-N27 PolarHBondContact O-N 3.42Å; F23-N27 VanDerWaalsContact O-N 3.12Å; F23-N27 PolarHBondContact O-ND2 3.23Å
28	Y	51	Low	55.7	Low	145 Å²	145	118.3 Å²	118.3	57%	0.569	61%	0.61	S	S	*	*			trans	-131.1	66.8	175.3	-58.6	-79.6	0	0	0	110.9	E24 K26 N30 L31	E24-Y28 WeakPolarHBondContact O-CD2 3.48Å; E24-Y28 PolarHBondContact O-N 3.46Å; K26-Y28 VanDerWaalsContact C-N 3.3Å; Y28-N30 PolarHBondContact O-N 2.77Å; Y28-L31 VanDerWaalsContact CB-CD1 3.41Å; Y28-L31 HydrophobicContact CD1-CD1 4.41Å; Y28-L31 HydrophobicContact CD1-CG 4.45Å; Y28-L31 HydrophobicContact CD2-CD1 4Å; Y28-L31 HydrophobicContact CG-CD1 3.7Å; Y28-L31 HydrophobicContact CG-CG 4.08Å; Y28-L31 PolarHBondContact O-N 2.72Å
29	P	52.8	Low	54.8	Low	105 Å²	105	117.8 Å²	117.8	68%	0.682	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-15.9	174.6	28.1	-34.3	0	0	0	112.1
30	N	52.4	Low	54.2	Low	149 Å²	149	116.1 Å²	116.1	80%	0.797	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	12.9	-179.4	-63.9	-22	0	0	0	113.8	Y28 P32	Y28-N30 PolarHBondContact O-N 2.77Å; N30-P32 VanDerWaalsContact O-CD 3.24Å; N30-P32 WeakPolarHBondContact O-CD 3.41Å
31	L	51.9	Low	53.8	Low	113 Å²	113	114.7 Å²	114.7	59%	0.592	60%	0.603	S	S	*	*	S	Bend	trans	-67.2	117.3	162.5	-89.8	167.4	0	0	0	106.1	Y28 A33	Y28-L31 VanDerWaalsContact CB-CD1 3.41Å; Y28-L31 HydrophobicContact CD1-CD1 4.41Å; Y28-L31 HydrophobicContact CD1-CG 4.45Å; Y28-L31 HydrophobicContact CD2-CD1 4Å; Y28-L31 HydrophobicContact CG-CD1 3.7Å; Y28-L31 HydrophobicContact CG-CG 4.08Å; Y28-L31 PolarHBondContact O-N 2.72Å; L31-A33 PolarHBondContact O-N 2.9Å
32	P	49.2	Very low	53.7	Low	105 Å²	105	117.5 Å²	117.5	68%	0.682	61%	0.606	S	S	*	*			trans	-57.5	111.1	174	24.1	-30.9	0	0	0	105.7	N30 Y34	N30-P32 VanDerWaalsContact O-CD 3.24Å; N30-P32 WeakPolarHBondContact O-CD 3.41Å; P32-Y34 PolarHBondContact O-N 2.83Å
33	A	48.8	Very low	53.5	Low	69 Å²	69	118 Å²	118	57%	0.57	61%	0.611	S	S	*	*			trans	-57.3	101.3	164.3	0	0	0	0	0	104.2	L31 Y35	L31-A33 PolarHBondContact O-N 2.9Å; A33-Y35 HydrophobicContact CB-CD2 3.47Å; A33-Y35 VanDerWaalsContact CB-CD2 3.47Å; A33-Y35 HydrophobicContact CB-CE2 3.33Å; A33-Y35 WeakPolarHBondContact O-CD2 3.47Å; A33-Y35 PolarHBondContact O-N 3.36Å
34	Y	46.8	Very low	53.5	Low	167 Å²	167	114.5 Å²	114.5	66%	0.655	60%	0.601	S	S	*	*			trans	-72.6	75.5	-178.4	-160.8	-86.2	0	0	0	106.5	P32 G36	P32-Y34 PolarHBondContact O-N 2.83Å; Y34-G36 PolarHBondContact O-N 2.63Å
35	Y	48.4	Very low	53.7	Low	205 Å²	205	112.7 Å²	112.7	80%	0.804	59%	0.591	S	S	*	*			trans	-73.9	62	173.8	-82.2	-79.4	0	0	0	108.9	A33 E37	A33-Y35 HydrophobicContact CB-CD2 3.47Å; A33-Y35 VanDerWaalsContact CB-CD2 3.47Å; A33-Y35 HydrophobicContact CB-CE2 3.33Å; A33-Y35 WeakPolarHBondContact O-CD2 3.47Å; A33-Y35 PolarHBondContact O-N 3.36Å; Y35-E37 PolarHBondContact O-N 3.05Å
36	G	51.8	Low	54.3	Low	60 Å²	60	110.3 Å²	110.3	62%	0.619	59%	0.586	S	S	*	*	S	Bend	trans	63.5	-37.2	156.4	0	0	0	0	0	120	Y34	Y34-G36 PolarHBondContact O-N 2.63Å
37	E	49.9	Very low	54.8	Low	153 Å²	153	110.1 Å²	110.1	72%	0.715	59%	0.585	S	S	*	*			trans	-159	93	-167.5	-90.1	157	-161.2	0	0	106.4	Y35 P39	Y35-E37 PolarHBondContact O-N 3.05Å; E37-P39 WeakPolarHBondContact O-CD 3.42Å
38	D	53	Low	55.1	Low	104 Å²	104	108.2 Å²	108.2	56%	0.556	58%	0.575	S	S	*	*			trans	-70	112.5	168.4	-149.3	-32.9	0	0	0	106.4	S40 E41	D38-S40 PolarHBondContact O-N 2.92Å; D38-S40 PolarHBondContact OD1-OG 3.2Å; D38-E41 HydrophobicContact CB-CB 4.35Å; D38-E41 HydrophobicContact CB-CG 4.24Å; D38-E41 WeakPolarHBondContact O-CB 3.42Å; D38-E41 PolarHBondContact O-N 3.48Å
39	P	54.4	Low	56.1	Low	98 Å²	98	108.2 Å²	108.2	64%	0.636	58%	0.578	S	S	*	*	H	α-helix	trans	-61.9	-19.2	-177.2	24.2	-32.9	0	0	0	111.7	E37 E42 L43	E37-P39 WeakPolarHBondContact O-CD 3.42Å; P39-E42 PolarHBondContact O-N 3.01Å; P39-L43 PolarHBondContact O-N 3.21Å
40	S	57.3	Low	56.8	Low	63 Å²	63	107.2 Å²	107.2	44%	0.441	57%	0.566	S	S	.	*	H	α-helix	trans	-67.5	-33.5	170.4	68.5	0	0	0	0	112.8	D38 L43 V44	D38-S40 PolarHBondContact O-N 2.92Å; D38-S40 PolarHBondContact OD1-OG 3.2Å; S40-L43 PolarHBondContact O-N 3.44Å; S40-V44 VanDerWaalsContact O-CG2 3.29Å; S40-V44 WeakPolarHBondContact O-CG2 3.39Å; S40-V44 PolarHBondContact O-N 3.31Å; S40-V44 VanDerWaalsContact O-N 3.1Å
41	E	58	Low	57.8	Low	37 Å²	37	103.5 Å²	103.5	17%	0.173	55%	0.552	C	S	.	*	H	α-helix	trans	-70.2	-34.2	175.6	-84.5	-149.8	154.9	0	0	111.8	D38 V44 K45 R60	D38-E41 HydrophobicContact CB-CB 4.35Å; D38-E41 HydrophobicContact CB-CG 4.24Å; D38-E41 WeakPolarHBondContact O-CB 3.42Å; D38-E41 PolarHBondContact O-N 3.48Å; E41-V44 PolarHBondContact O-N 3.13Å; E41-K45 VanDerWaalsContact O-CB 3.27Å; E41-K45 WeakPolarHBondContact O-CB 3.4Å; E41-K45 WeakPolarHBondContact O-CD 3.4Å; E41-K45 WeakPolarHBondContact O-CG 3.46Å; E41-K45 PolarHBondContact O-N 2.88Å; E41-K45 WeakPolarHBondContact OE2-CE 3.48Å; E41-K45 IonicContact OE2-NZ 2.77Å; E41-K45 PolarHBondContact OE2-NZ 3.34Å; E41-R60 IonicContact OE1-CZ 3.35Å; E41-R60 IonicContact OE1-NH1 2.9Å; E41-R60 PolarHBondContact OE1-NH1 3.3Å; E41-R60 IonicContact OE1-NH2 3.98Å; E41-R60 PolarHBondContact OE1-NH2 3.41Å; E41-R60 IonicContact OE2-NH1 3.87Å; E41-R60 IonicContact OE2-NH2 2.82Å
42	E	59.1	Low	58.6	Low	120 Å²	120	102.1 Å²	102.1	56%	0.561	54%	0.543	S	S	*	.	H	α-helix	trans	-66.3	-40.3	175.1	-69.5	-164	146.8	0	0	111.9	P39 V44 K45 S46	P39-E42 PolarHBondContact O-N 3.01Å; E42-V44 VanDerWaalsContact C-N 3.31Å; E42-V44 PolarHBondContact O-N 3.02Å; E42-K45 PolarHBondContact O-N 3.38Å; E42-S46 WeakPolarHBondContact O-CB 3.2Å; E42-S46 PolarHBondContact O-N 3.31Å; E42-S46 PolarHBondContact O-OG 3.4Å
43	L	57.4	Low	59.5	Low	112 Å²	112	98.9 Å²	98.9	59%	0.586	52%	0.52	S	S	*	.	H	α-helix	trans	-65.5	-34.8	175.6	-159.3	89	0	0	0	112.4	P39 S40 S46	P39-L43 PolarHBondContact O-N 3.21Å; S40-L43 PolarHBondContact O-N 3.44Å; L43-S46 PolarHBondContact O-OG 3.27Å
44	V	59.6	Low	60.3	Low	66 Å²	66	101.1 Å²	101.1	40%	0.4	51%	0.514	S	S	.	.	H	α-helix	trans	-75.1	-40.4	175.2	173.2	0	0	0	0	110.5	S40 E41 E42 S46 K47 L48	S40-V44 VanDerWaalsContact O-CG2 3.29Å; S40-V44 WeakPolarHBondContact O-CG2 3.39Å; S40-V44 PolarHBondContact O-N 3.31Å; S40-V44 VanDerWaalsContact O-N 3.1Å; E41-V44 PolarHBondContact O-N 3.13Å; E42-V44 VanDerWaalsContact C-N 3.31Å; E42-V44 PolarHBondContact O-N 3.02Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 3.34Å; V44-K47 PolarHBondContact O-N 3.2Å; V44-L48 HydrophobicContact CG1-CD1 3.82Å; V44-L48 HydrophobicContact CG1-CG 4.47Å; V44-L48 WeakPolarHBondContact O-CD1 3.16Å; V44-L48 VanDerWaalsContact O-CG 3.27Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.43Å
45	K	60.3	Low	61.5	Low	87 Å²	87	97 Å²	97	38%	0.378	50%	0.504	S	S	.	.	H	α-helix	trans	-65.6	-31.5	177.6	-74.1	167.4	-172	160.4	0	112.6	E41 E42 K47 L48 L53	E41-K45 VanDerWaalsContact O-CB 3.27Å; E41-K45 WeakPolarHBondContact O-CB 3.4Å; E41-K45 WeakPolarHBondContact O-CD 3.4Å; E41-K45 WeakPolarHBondContact O-CG 3.46Å; E41-K45 PolarHBondContact O-N 2.88Å; E41-K45 WeakPolarHBondContact OE2-CE 3.48Å; E41-K45 IonicContact OE2-NZ 2.77Å; E41-K45 PolarHBondContact OE2-NZ 3.34Å; E42-K45 PolarHBondContact O-N 3.38Å; K45-K47 VanDerWaalsContact C-N 3.28Å; K45-K47 PolarHBondContact O-N 3.27Å; K45-L48 PolarHBondContact O-N 2.8Å; K45-L53 HydrophobicContact CB-CD2 4.08Å; K45-L53 HydrophobicContact CG-CD2 3.74Å
46	S	63.5	Low	62.4	Low	92 Å²	92	91.6 Å²	91.6	64%	0.643	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-19.2	178.1	67.2	0	0	0	0	114.2	E42 L43 V44	E42-S46 WeakPolarHBondContact O-CB 3.2Å; E42-S46 PolarHBondContact O-N 3.31Å; E42-S46 PolarHBondContact O-OG 3.4Å; L43-S46 PolarHBondContact O-OG 3.27Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 3.34Å
47	K	67.9	Low	63.1	Low	172 Å²	172	93 Å²	93	75%	0.748	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-15.3	176.7	-67.5	-174.7	179.2	-176.1	0	113.9	V44 K45	V44-K47 PolarHBondContact O-N 3.2Å; K45-K47 VanDerWaalsContact C-N 3.28Å; K45-K47 PolarHBondContact O-N 3.27Å
48	L	64.3	Low	63.9	Low	50 Å²	50	92.6 Å²	92.6	26%	0.262	46%	0.461	S	S	.	.	S	Bend	trans	-86.3	140.2	-176.4	-72	164.4	0	0	0	110.7	V44 K45 E52 L53	V44-L48 HydrophobicContact CG1-CD1 3.82Å; V44-L48 HydrophobicContact CG1-CG 4.47Å; V44-L48 WeakPolarHBondContact O-CD1 3.16Å; V44-L48 VanDerWaalsContact O-CG 3.27Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.43Å; K45-L48 PolarHBondContact O-N 2.8Å; L48-E52 WeakPolarHBondContact CA-OE2 3.4Å; L48-E52 HydrophobicContact CB-CB 4.28Å; L48-E52 HydrophobicContact CD2-CB 3.85Å; L48-E52 VanDerWaalsContact CD2-OE2 3.24Å; L48-E52 WeakPolarHBondContact CD2-OE2 3.28Å; L48-L53 HydrophobicContact CB-CD2 4.15Å; L48-L53 HydrophobicContact CB-CG 3.98Å; L48-L53 HydrophobicContact CD1-CD2 4.04Å
49	K	72.3	Confident	64.7	Low	146 Å²	146	92.3 Å²	92.3	64%	0.635	46%	0.458	S	S	*	.			trans	-68.1	153.5	169.3	-72.7	178.4	-179.7	174.2	0	110.2	S51 E52 L53	K49-S51 PolarHBondContact O-N 3.05Å; K49-S51 VanDerWaalsContact O-N 3.07Å; K49-E52 HydrophobicContact CB-CG 4.25Å; K49-E52 PolarHBondContact N-OE2 3.05Å; K49-E52 WeakPolarHBondContact O-CB 3.49Å; K49-E52 PolarHBondContact O-N 3.25Å; K49-L53 PolarHBondContact O-N 2.93Å
50	D	67.2	Low	65.1	Low	83 Å²	83	91.7 Å²	91.7	44%	0.444	44%	0.443	S	S	.	.	H	α-helix	trans	-50.9	-35.2	176.4	-76	-15	0	0	0	112.7	Y54 F80 R83	D50-Y54 PolarHBondContact O-N 3.4Å; D50-Y54 VanDerWaalsContact O-N 3.09Å; D50-F80 HydrophobicContact CB-CE1 3.94Å; D50-F80 HydrophobicContact CB-CZ 4.29Å; D50-R83 IonicContact OD2-NH1 3.11Å; D50-R83 PolarHBondContact OD2-NH1 3.45Å; D50-R83 VanDerWaalsContact OD2-NH1 3.11Å
51	S	72.2	Confident	65.3	Low	72 Å²	72	97.9 Å²	97.9	50%	0.503	46%	0.457	S	S	.	.	H	α-helix	trans	-65.6	-42	175.2	54.6	0	0	0	0	113	K49 L53 Y54 D55	K49-S51 PolarHBondContact O-N 3.05Å; K49-S51 VanDerWaalsContact O-N 3.07Å; S51-L53 VanDerWaalsContact C-N 3.35Å; S51-Y54 WeakPolarHBondContact O-CB 3.3Å; S51-Y54 PolarHBondContact O-N 3.46Å; S51-D55 PolarHBondContact O-N 3Å
52	E	68.8	Low	65.5	Low	84 Å²	84	102.9 Å²	102.9	39%	0.393	48%	0.48	S	S	.	.	H	α-helix	trans	-72.2	-33.5	-179.1	-60.9	167.3	171.9	0	0	110.9	L48 K49 R56	L48-E52 WeakPolarHBondContact CA-OE2 3.4Å; L48-E52 HydrophobicContact CB-CB 4.28Å; L48-E52 HydrophobicContact CD2-CB 3.85Å; L48-E52 VanDerWaalsContact CD2-OE2 3.24Å; L48-E52 WeakPolarHBondContact CD2-OE2 3.28Å; K49-E52 HydrophobicContact CB-CG 4.25Å; K49-E52 PolarHBondContact N-OE2 3.05Å; K49-E52 WeakPolarHBondContact O-CB 3.49Å; K49-E52 PolarHBondContact O-N 3.25Å; E52-R56 WeakPolarHBondContact O-CB 3.35Å; E52-R56 PolarHBondContact O-N 3.12Å
53	L	68.1	Low	65.5	Low	37 Å²	37	105.1 Å²	105.1	19%	0.194	49%	0.488	C	S	.	.	H	α-helix	trans	-62.9	-42.3	170.2	-73.2	170.2	0	0	0	111.6	K45 L48 K49 S51 R56 Y57 F80	K45-L53 HydrophobicContact CB-CD2 4.08Å; K45-L53 HydrophobicContact CG-CD2 3.74Å; L48-L53 HydrophobicContact CB-CD2 4.15Å; L48-L53 HydrophobicContact CB-CG 3.98Å; L48-L53 HydrophobicContact CD1-CD2 4.04Å; K49-L53 PolarHBondContact O-N 2.93Å; S51-L53 VanDerWaalsContact C-N 3.35Å; L53-R56 PolarHBondContact O-N 3.25Å; L53-Y57 WeakPolarHBondContact O-CB 3.42Å; L53-Y57 PolarHBondContact O-N 2.96Å; L53-F80 HydrophobicContact CB-CZ 4.08Å; L53-F80 HydrophobicContact CD1-CZ 4.05Å
54	Y	66.4	Low	65.4	Low	115 Å²	115	103.9 Å²	103.9	45%	0.451	48%	0.481	S	S	.	.	H	α-helix	trans	-64.2	-46.3	177.4	-175.3	-95.4	0	0	0	112	D50 S51 R56 Y57 R58 L84	D50-Y54 PolarHBondContact O-N 3.4Å; D50-Y54 VanDerWaalsContact O-N 3.09Å; S51-Y54 WeakPolarHBondContact O-CB 3.3Å; S51-Y54 PolarHBondContact O-N 3.46Å; Y54-R56 VanDerWaalsContact C-N 3.32Å; Y54-R56 PolarHBondContact O-N 2.8Å; Y54-Y57 PolarHBondContact O-N 3.17Å; Y54-R58 WeakPolarHBondContact O-CB 3.49Å; Y54-R58 PolarHBondContact O-N 2.92Å; Y54-L84 HydrophobicContact CD2-CD1 4.38Å; Y54-L84 HydrophobicContact CE2-CD1 3.84Å
55	D	71.9	Confident	65.2	Low	82 Å²	82	104.7 Å²	104.7	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-61.7	-41.6	176.9	-78.1	-25	0	0	0	111.7	S51 Y57 R58 I59	S51-D55 PolarHBondContact O-N 3Å; D55-Y57 VanDerWaalsContact C-N 3.33Å; D55-Y57 PolarHBondContact O-N 3.09Å; D55-R58 PolarHBondContact O-N 3.23Å; D55-I59 WeakPolarHBondContact O-CB 3.29Å; D55-I59 VanDerWaalsContact O-CG1 3.25Å; D55-I59 WeakPolarHBondContact O-CG1 3.48Å; D55-I59 PolarHBondContact O-N 3.05Å
56	R	67	Low	65	Low	90 Å²	90	109.6 Å²	109.6	34%	0.34	51%	0.511	S	S	.	.	H	α-helix	trans	-63.7	-38.8	176.1	-161.2	174.1	-174.5	-161.6	1.7	112	E52 L53 Y54 R60	E52-R56 WeakPolarHBondContact O-CB 3.35Å; E52-R56 PolarHBondContact O-N 3.12Å; L53-R56 PolarHBondContact O-N 3.25Å; Y54-R56 VanDerWaalsContact C-N 3.32Å; Y54-R56 PolarHBondContact O-N 2.8Å; R56-R60 WeakPolarHBondContact O-CG 3.38Å; R56-R60 PolarHBondContact O-N 3.08Å
57	Y	67	Low	64.5	Low	90 Å²	90	117 Å²	117	35%	0.353	53%	0.525	S	S	.	.	H	α-helix	trans	-67.5	-42.4	174.6	-170.9	-92.6	0	0	0	111.8	L53 Y54 D55 R60 R61	L53-Y57 WeakPolarHBondContact O-CB 3.42Å; L53-Y57 PolarHBondContact O-N 2.96Å; Y54-Y57 PolarHBondContact O-N 3.17Å; D55-Y57 VanDerWaalsContact C-N 3.33Å; D55-Y57 PolarHBondContact O-N 3.09Å; Y57-R60 PolarHBondContact O-N 2.96Å; Y57-R61 WeakPolarHBondContact O-CB 3.47Å; Y57-R61 PolarHBondContact O-N 3.5Å
58	R	66.8	Low	63.7	Low	144 Å²	144	113.9 Å²	113.9	54%	0.543	51%	0.512	S	S	.	.	H	α-helix	trans	-59.3	-47	176	-176.7	-178.5	177.3	-170.6	1.1	111.4	Y54 D55 R61 H62	Y54-R58 WeakPolarHBondContact O-CB 3.49Å; Y54-R58 PolarHBondContact O-N 2.92Å; D55-R58 PolarHBondContact O-N 3.23Å; R58-R61 PolarHBondContact O-N 2.9Å; R58-H62 PolarHBondContact O-CD2 3.48Å; R58-H62 PolarHBondContact O-N 3.49Å; R58-H62 VanDerWaalsContact O-N 3.17Å
59	I	68.5	Low	62.9	Low	98 Å²	98	113.4 Å²	113.4	50%	0.503	52%	0.519	S	S	.	.	H	α-helix	trans	-59.5	-52.4	175.8	-70.3	168	0	0	0	110	D55 R61 H62 F63	D55-I59 WeakPolarHBondContact O-CB 3.29Å; D55-I59 VanDerWaalsContact O-CG1 3.25Å; D55-I59 WeakPolarHBondContact O-CG1 3.48Å; D55-I59 PolarHBondContact O-N 3.05Å; I59-R61 PolarHBondContact O-N 3.47Å; I59-H62 PolarHBondContact O-N 3.01Å; I59-F63 HydrophobicContact CG2-CD2 3.79Å; I59-F63 HydrophobicContact CG2-CE2 3.82Å; I59-F63 WeakPolarHBondContact O-CD2 3.3Å; I59-F63 PolarHBondContact O-N 2.96Å
60	R	64	Low	62	Low	85 Å²	85	116.1 Å²	116.1	32%	0.321	53%	0.531	S	S	.	.	H	α-helix	trans	-56.7	-38.9	179	-75.2	-172.3	-147.1	-148	3.4	112.5	E41 R56 Y57 H62 F63 M64	E41-R60 IonicContact OE1-CZ 3.35Å; E41-R60 IonicContact OE1-NH1 2.9Å; E41-R60 PolarHBondContact OE1-NH1 3.3Å; E41-R60 IonicContact OE1-NH2 3.98Å; E41-R60 PolarHBondContact OE1-NH2 3.41Å; E41-R60 IonicContact OE2-NH1 3.87Å; E41-R60 IonicContact OE2-NH2 2.82Å; R56-R60 WeakPolarHBondContact O-CG 3.38Å; R56-R60 PolarHBondContact O-N 3.08Å; Y57-R60 PolarHBondContact O-N 2.96Å; R60-H62 VanDerWaalsContact C-N 3.33Å; R60-H62 PolarHBondContact O-N 3.23Å; R60-F63 PolarHBondContact O-N 3.32Å; R60-M64 WeakPolarHBondContact O-CG 3.43Å; R60-M64 PolarHBondContact O-N 3.25Å
61	R	60.7	Low	61.3	Low	194 Å²	194	122.2 Å²	122.2	73%	0.732	55%	0.548	S	S	*	.	H	α-helix	trans	-66.2	-33.5	178.9	-165.1	176.8	-177.6	-177.5	0.9	112.8	Y57 R58 I59	Y57-R61 WeakPolarHBondContact O-CB 3.47Å; Y57-R61 PolarHBondContact O-N 3.5Å; R58-R61 PolarHBondContact O-N 2.9Å; I59-R61 PolarHBondContact O-N 3.47Å
62	H	62.1	Low	60.1	Low	141 Å²	141	122.7 Å²	122.7	65%	0.653	54%	0.539	S	S	*	.	H	α-helix	trans	-71.5	-32.2	175.6	-87.9	-69.6	0	0	0	113.3	R58 I59 R60	R58-H62 PolarHBondContact O-CD2 3.48Å; R58-H62 PolarHBondContact O-N 3.49Å; R58-H62 VanDerWaalsContact O-N 3.17Å; I59-H62 PolarHBondContact O-N 3.01Å; R60-H62 VanDerWaalsContact C-N 3.33Å; R60-H62 PolarHBondContact O-N 3.23Å
63	F	60.4	Low	59.1	Low	168 Å²	168	123.3 Å²	123.3	74%	0.737	55%	0.548	S	S	*	.	H	α-helix	trans	-95.7	-8	-177	-68.7	-73.8	0	0	0	114.5	I59 R60	I59-F63 HydrophobicContact CG2-CD2 3.79Å; I59-F63 HydrophobicContact CG2-CE2 3.82Å; I59-F63 WeakPolarHBondContact O-CD2 3.3Å; I59-F63 PolarHBondContact O-N 2.96Å; R60-F63 PolarHBondContact O-N 3.32Å
64	M	55.4	Low	58.2	Low	86 Å²	86	132.6 Å²	132.6	42%	0.424	58%	0.581	S	S	.	*	S	Bend	trans	-81	125.5	176.8	-85.6	-171.8	164.8	0	0	111.6	R60 Q66 Y72	R60-M64 WeakPolarHBondContact O-CG 3.43Å; R60-M64 PolarHBondContact O-N 3.25Å; M64-Q66 PolarHBondContact O-N 2.96Å; M64-Y72 HydrophobicContact CE-CE2 4.37Å; M64-Y72 HydrophobicContact SD-CD2 4.34Å
65	P	54.4	Low	57.5	Low	82 Å²	82	134.1 Å²	134.1	53%	0.532	59%	0.59	S	S	.	*			trans	-62.5	132.6	174.9	16.5	-20.4	0	0	0	109.9	R67 F68	P65-R67 PolarHBondContact O-N 3.47Å; P65-F68 HydrophobicContact CG-CD2 3.95Å; P65-F68 HydrophobicContact CG-CE2 4.18Å; P65-F68 PolarHBondContact O-N 3.37Å
66	Q	55.6	Low	56.6	Low	191 Å²	191	133.8 Å²	133.8	89%	0.893	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-49.2	-20.3	-175.7	-71.9	175.6	-2.3	0	0	114.4	M64 F68 G69	M64-Q66 PolarHBondContact O-N 2.96Å; Q66-F68 PolarHBondContact O-N 3.46Å; Q66-G69 PolarHBondContact O-N 3.1Å
67	R	52.6	Low	55.8	Low	247 Å²	247	132.6 Å²	132.6	93%	0.932	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-63.1	-18.5	173.7	-72.6	-172.2	176.8	-170.8	-0.3	114.7	P65	P65-R67 PolarHBondContact O-N 3.47Å
68	F	52.1	Low	55.1	Low	107 Å²	107	137 Å²	137	47%	0.469	62%	0.619	S	S	.	*	G	3₁₀ helix	trans	-88.3	-4.9	172.8	-76.3	-79.4	0	0	0	114	P65 Q66 K70 R71 Y72	P65-F68 HydrophobicContact CG-CD2 3.95Å; P65-F68 HydrophobicContact CG-CE2 4.18Å; P65-F68 PolarHBondContact O-N 3.37Å; Q66-F68 PolarHBondContact O-N 3.46Å; F68-K70 PolarHBondContact O-N 3.34Å; F68-R71 PolarHBondContact O-N 2.96Å; F68-Y72 HydrophobicContact CB-CD2 3.97Å; F68-Y72 HydrophobicContact CB-CE2 3.91Å; F68-Y72 AromaticContact CD1-CE2 3.81Å; F68-Y72 HydrophobicContact CD1-CE2 3.81Å; F68-Y72 HydrophobicContact CG-CE2 4.2Å; F68-Y72 WeakPolarHBondContact O-CD2 3.46Å
69	G	47.6	Very low	54.3	Low	40 Å²	40	140.8 Å²	140.8	41%	0.412	63%	0.633	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.3	-9.2	-168.9	0	0	0	0	0	117.2	Q66 T73	Q66-G69 PolarHBondContact O-N 3.1Å; G69-T73 WeakPolarHBondContact O-CG2 3.27Å
70	K	53.3	Low	53.4	Low	203 Å²	203	138.5 Å²	138.5	88%	0.883	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.9	-20.1	175.3	-74	-172.6	178.8	-178.3	0	114.6	F68	F68-K70 PolarHBondContact O-N 3.34Å
71	R	51.7	Low	52.5	Low	211 Å²	211	135.5 Å²	135.5	80%	0.796	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.3	-25.1	179.8	-85.5	-174.9	174	-177.6	-1.8	113.5	F68	F68-R71 PolarHBondContact O-N 2.96Å
72	Y	47.7	Very low	51.8	Low	82 Å²	82	133.8 Å²	133.8	32%	0.322	61%	0.612	S	S	.	*	S	Bend	trans	-104.1	-4.2	-173.6	-62.8	-77.1	0	0	0	115.3	M64 F68 R74 F75	M64-Y72 HydrophobicContact CE-CE2 4.37Å; M64-Y72 HydrophobicContact SD-CD2 4.34Å; F68-Y72 HydrophobicContact CB-CD2 3.97Å; F68-Y72 HydrophobicContact CB-CE2 3.91Å; F68-Y72 AromaticContact CD1-CE2 3.81Å; F68-Y72 HydrophobicContact CD1-CE2 3.81Å; F68-Y72 HydrophobicContact CG-CE2 4.2Å; F68-Y72 WeakPolarHBondContact O-CD2 3.46Å; Y72-R74 PolarHBondContact O-N 2.9Å; Y72-F75 HydrophobicContact CD1-CD2 4.31Å; Y72-F75 PolarHBondContact O-N 3.34Å; Y72-F75 VanDerWaalsContact O-N 3.09Å
73	T	47.7	Very low	51.2	Low	96 Å²	96	134.9 Å²	134.9	59%	0.589	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-17.8	175.7	39.5	0	0	0	0	113.6	G69	G69-T73 WeakPolarHBondContact O-CG2 3.27Å
74	R	49.6	Very low	50.4	Low	232 Å²	232	130.6 Å²	130.6	88%	0.875	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-11.3	172.8	-74	-174.2	-178.2	-179	0.2	114.3	Y72 V76	Y72-R74 PolarHBondContact O-N 2.9Å; R74-V76 VanDerWaalsContact C-N 3.27Å; R74-V76 PolarHBondContact O-N 3.26Å
75	F	51.3	Low	49.9	Very low	148 Å²	148	135.1 Å²	135.1	65%	0.649	61%	0.609	S	S	*	*			trans	-92.7	34.2	179.2	-80	-82.3	0	0	0	112.7	Y72 P77	Y72-F75 HydrophobicContact CD1-CD2 4.31Å; Y72-F75 PolarHBondContact O-N 3.34Å; Y72-F75 VanDerWaalsContact O-N 3.09Å; F75-P77 WeakPolarHBondContact O-CD 3.46Å
76	V	53.1	Low	49.6	Very low	75 Å²	75	137.2 Å²	137.2	46%	0.455	61%	0.612	S	S	.	*	S	Bend	trans	-78.4	115.3	159.8	-178.8	0	0	0	0	105.4	R74 Q78	R74-V76 VanDerWaalsContact C-N 3.27Å; R74-V76 PolarHBondContact O-N 3.26Å; V76-Q78 PolarHBondContact O-N 3.05Å
77	P	50.8	Low	49.4	Very low	65 Å²	65	135.6 Å²	135.6	42%	0.422	61%	0.606	S	S	.	*			trans	-61.5	119.4	177.3	-1.6	12.9	0	0	0	107	F75 R79 F80	F75-P77 WeakPolarHBondContact O-CD 3.46Å; P77-R79 PolarHBondContact O-N 2.98Å; P77-F80 HydrophobicContact CB-CD2 3.81Å; P77-F80 HydrophobicContact CB-CE2 4.4Å; P77-F80 HydrophobicContact CG-CD2 3.63Å; P77-F80 HydrophobicContact CG-CE2 4.14Å; P77-F80 PolarHBondContact O-N 3.43Å
78	Q	52.7	Low	49.1	Very low	182 Å²	182	131.3 Å²	131.3	85%	0.85	60%	0.598	S	S	*	*	H	α-helix	trans	-51.7	-22.6	-177.7	-77.5	175.5	-15.5	0	0	112.8	V76	V76-Q78 PolarHBondContact O-N 3.05Å
79	R	49.9	Very low	48.9	Very low	224 Å²	224	133.6 Å²	133.6	85%	0.845	62%	0.615	S	S	*	*	H	α-helix	trans	-68	-29.4	174.9	-64.1	-173.7	179.3	-172.7	0.3	114.2	P77	P77-R79 PolarHBondContact O-N 2.98Å
80	F	48	Very low	48.7	Very low	50 Å²	50	145.1 Å²	145.1	22%	0.219	65%	0.647	C	S	.	*	H	α-helix	trans	-87.8	-32.9	178.1	-74.7	-87.8	0	0	0	112.9	D50 L53 P77 K82 L84	D50-F80 HydrophobicContact CB-CE1 3.94Å; D50-F80 HydrophobicContact CB-CZ 4.29Å; L53-F80 HydrophobicContact CB-CZ 4.08Å; L53-F80 HydrophobicContact CD1-CZ 4.05Å; P77-F80 HydrophobicContact CB-CD2 3.81Å; P77-F80 HydrophobicContact CB-CE2 4.4Å; P77-F80 HydrophobicContact CG-CD2 3.63Å; P77-F80 HydrophobicContact CG-CE2 4.14Å; P77-F80 PolarHBondContact O-N 3.43Å; F80-K82 VanDerWaalsContact C-N 3.34Å; F80-K82 PolarHBondContact O-N 3.41Å; F80-L84 PolarHBondContact O-N 3.24Å
81	G	45.7	Very low	48.4	Very low	21 Å²	21	142.3 Å²	142.3	22%	0.216	64%	0.635	C	S	.	*	H	α-helix	trans	-58.1	-47.2	177.5	0	0	0	0	0	111.5	R83 L84 Y85	G81-R83 PolarHBondContact O-N 3.14Å; G81-L84 PolarHBondContact O-N 3.31Å; G81-Y85 WeakPolarHBondContact O-CD2 3.27Å; G81-Y85 PolarHBondContact O-N 3.35Å
82	K	45.9	Very low	48.3	Very low	158 Å²	158	138.6 Å²	138.6	69%	0.687	63%	0.626	S	S	*	*	H	α-helix	trans	-64.3	-39.4	-175	-135.6	179.2	-178	-172.3	0	113.8	F80 E86	F80-K82 VanDerWaalsContact C-N 3.34Å; F80-K82 PolarHBondContact O-N 3.41Å; K82-E86 WeakPolarHBondContact O-CG 3.45Å; K82-E86 PolarHBondContact O-N 3.43Å
83	R	49	Very low	48.3	Very low	164 Å²	164	141.8 Å²	141.8	62%	0.619	64%	0.643	S	S	*	*	H	α-helix	trans	-75.6	-31.9	178.6	-81.1	-175.3	177.7	172.5	-0.8	113.9	D50 G81 M87	D50-R83 IonicContact OD2-NH1 3.11Å; D50-R83 PolarHBondContact OD2-NH1 3.45Å; D50-R83 VanDerWaalsContact OD2-NH1 3.11Å; G81-R83 PolarHBondContact O-N 3.14Å; R83-M87 PolarHBondContact O-N 3.22Å
84	L	44.6	Very low	48.3	Very low	78 Å²	78	144.5 Å²	144.5	41%	0.408	65%	0.646	S	S	.	*	H	α-helix	trans	-69.7	-36.5	176.3	-98.4	154.4	0	0	0	112.1	Y54 F80 G81 M88	Y54-L84 HydrophobicContact CD2-CD1 4.38Å; Y54-L84 HydrophobicContact CE2-CD1 3.84Å; F80-L84 PolarHBondContact O-N 3.24Å; G81-L84 PolarHBondContact O-N 3.31Å; L84-M88 PolarHBondContact O-N 3.32Å
85	Y	45.5	Very low	48.2	Very low	181 Å²	181	139 Å²	139	71%	0.71	63%	0.632	S	S	*	*	H	α-helix	trans	-70.6	-36.8	174	-80.6	-76.2	0	0	0	112.3	G81 M87 M88	G81-Y85 WeakPolarHBondContact O-CD2 3.27Å; G81-Y85 PolarHBondContact O-N 3.35Å; Y85-M87 VanDerWaalsContact C-N 3.28Å; Y85-M87 PolarHBondContact O-N 3.17Å; Y85-M88 PolarHBondContact O-N 3.27Å
86	E	48	Very low	48	Very low	127 Å²	127	138.4 Å²	138.4	59%	0.593	63%	0.631	S	S	*	*	H	α-helix	trans	-68.7	-20.2	176.7	-79.1	174.3	177.9	0	0	114.6	K82	K82-E86 WeakPolarHBondContact O-CG 3.45Å; K82-E86 PolarHBondContact O-N 3.43Å
87	M	49.8	Very low	47.7	Very low	157 Å²	157	142.9 Å²	142.9	77%	0.773	64%	0.644	S	S	*	*	H	α-helix	trans	-91.4	-18.9	177	-87.5	-178.7	172.4	0	0	114.2	R83 Y85	R83-M87 PolarHBondContact O-N 3.22Å; Y85-M87 VanDerWaalsContact C-N 3.28Å; Y85-M87 PolarHBondContact O-N 3.17Å
88	M	48	Very low	47.4	Very low	156 Å²	156	148.9 Å²	148.9	77%	0.768	66%	0.661	S	S	*	*	H	α-helix	trans	-88.1	-17.4	177.4	-72.2	-176.8	82.1	0	0	113.2	L84 Y85	L84-M88 PolarHBondContact O-N 3.32Å; Y85-M88 PolarHBondContact O-N 3.27Å
89	D	47.3	Very low	47	Very low	155 Å²	155	146.2 Å²	146.2	83%	0.829	65%	0.645	S	S	*	*			trans	-94.1	18.5	176.1	-88.8	-20.2	0	0	0	113.6
90	R	42.6	Very low	46.7	Very low	283 Å²	283	139.1 Å²	139.1	100%	1.068	63%	0.627	S	S	*	*			trans	-122	0	170.7	-77.5	-174.5	178.6	176.8	0.9	110.4

Retrieved 90 of 90 residues in 132.2 ms (Link to these results)

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