A0A087YK51_POEFO Loading...

Protein S100

AlphaFold DB , UniProt , Accession A0A087YK51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 105 aa.

						>A0A087YK51_POEFO|A0A087YK51
MTAKMSSTLQGAMEDLIKVFYRYSGNEGDKYKLNKKELKKMFQEELSEFLNGSNDPGMVEKIMTGLDDNKDGEVDFQEFVVLVAALTVACNEFFVDCLKENKGSS
					

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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	39.8	Very low	68.2	Low	246 Å²	246	115.1 Å²	115.1	100%	1.212	65%	0.645	S	S	*	*				0	104.7	0	-69.2	176.2	172.6	0	0	106.8	A3	M1-A3 PolarHBondContact O-N 3.34Å
2	T	40.5	Very low	70	Confident	148 Å²	148	109.6 Å²	109.6	91%	0.908	63%	0.625	S	S	*	*			trans	-71.6	112.1	177.1	23.9	0	0	0	0	108.2	K4	T2-K4 PolarHBondContact O-N 2.82Å; T2-K4 VanDerWaalsContact O-N 3.14Å
3	A	49.8	Very low	71.6	Confident	83 Å²	83	109.6 Å²	109.6	69%	0.686	62%	0.619	S	S	*	*			trans	-59.1	117.6	167.2	0	0	0	0	0	107.3	M1 M5	M1-A3 PolarHBondContact O-N 3.34Å; A3-M5 VanDerWaalsContact C-N 3.34Å; A3-M5 PolarHBondContact O-N 3.5Å
4	K	54	Low	73	Confident	141 Å²	141	105.8 Å²	105.8	61%	0.613	59%	0.593	S	S	*	*			trans	-63.7	101.2	171.1	-171.4	-176.2	-177	-165.6	0	105.7	T2 S6 E14	T2-K4 PolarHBondContact O-N 2.82Å; T2-K4 VanDerWaalsContact O-N 3.14Å; K4-S6 PolarHBondContact O-N 3.34Å; K4-E14 IonicContact NZ-OE1 2.79Å; K4-E14 PolarHBondContact NZ-OE1 3.01Å
5	M	58.3	Low	74.3	Confident	180 Å²	180	104.2 Å²	104.2	89%	0.887	58%	0.583	S	S	*	*			trans	-71.7	74.2	169.3	-62.8	-74.5	-79	0	0	106.4	A3	A3-M5 VanDerWaalsContact C-N 3.34Å; A3-M5 PolarHBondContact O-N 3.5Å
6	S	61.9	Low	75.4	Confident	41 Å²	41	101.4 Å²	101.4	29%	0.287	57%	0.566	S	S	.	*			trans	-63.2	135.8	166.9	50.7	0	0	0	0	107.1	K4	K4-S6 PolarHBondContact O-N 3.34Å
7	S	87.9	Confident	76.5	Confident	72 Å²	72	99.7 Å²	99.7	50%	0.503	56%	0.555	S	S	.	*			trans	-57	152	170.8	64.1	0	0	0	0	109.3	L9 Q10 G11	S7-L9 PolarHBondContact O-N 3.26Å; S7-L9 VanDerWaalsContact O-N 3.1Å; S7-Q10 CarbonylContact O-C 3.55Å; S7-Q10 WeakPolarHBondContact O-CA 3.19Å; S7-Q10 WeakPolarHBondContact O-CB 3.42Å; S7-Q10 PolarHBondContact O-N 2.89Å; S7-Q10 WeakPolarHBondContact OG-CB 3.06Å; S7-Q10 PolarHBondContact OG-N 2.91Å; S7-G11 PolarHBondContact O-N 3.16Å
8	T	90.1	Very high	77.4	Confident	137 Å²	137	100.8 Å²	100.8	84%	0.84	55%	0.553	S	S	*	*	H	α-helix	trans	-50.5	-42	-176.5	-53.3	0	0	0	0	112.6	G11 A12	T8-G11 PolarHBondContact O-N 2.79Å; T8-A12 PolarHBondContact O-N 2.61Å
9	L	87.3	Confident	78.2	Confident	126 Å²	126	97.5 Å²	97.5	66%	0.66	54%	0.536	S	S	*	.	H	α-helix	trans	-66.7	-43.8	177.1	-180	60.2	0	0	0	112.2	S7 G11 A12 M13	S7-L9 PolarHBondContact O-N 3.26Å; S7-L9 VanDerWaalsContact O-N 3.1Å; L9-G11 VanDerWaalsContact C-N 3.29Å; L9-G11 PolarHBondContact O-N 2.88Å; L9-A12 PolarHBondContact O-N 3.09Å; L9-M13 HydrophobicContact CG-SD 4.28Å; L9-M13 VanDerWaalsContact O-CG 3.3Å; L9-M13 WeakPolarHBondContact O-CG 3.27Å; L9-M13 PolarHBondContact O-N 3.06Å
10	Q	88.6	Confident	78.9	Confident	79 Å²	79	92.7 Å²	92.7	37%	0.369	51%	0.509	S	S	.	.	H	α-helix	trans	-62.1	-38	176.1	-177.7	180	7.2	0	0	111.6	S7 M13 E14	S7-Q10 CarbonylContact O-C 3.55Å; S7-Q10 WeakPolarHBondContact O-CA 3.19Å; S7-Q10 WeakPolarHBondContact O-CB 3.42Å; S7-Q10 PolarHBondContact O-N 2.89Å; S7-Q10 WeakPolarHBondContact OG-CB 3.06Å; S7-Q10 PolarHBondContact OG-N 2.91Å; Q10-M13 PolarHBondContact O-N 2.86Å; Q10-E14 WeakPolarHBondContact O-CG 3.34Å; Q10-E14 PolarHBondContact O-N 2.79Å
11	G	92	Very high	79.6	Confident	13 Å²	13	93.4 Å²	93.4	13%	0.134	51%	0.505	C	S	.	.	H	α-helix	trans	-61	-48.4	173.1	0	0	0	0	0	112.1	S7 T8 L9 M13 E14 D15	S7-G11 PolarHBondContact O-N 3.16Å; T8-G11 PolarHBondContact O-N 2.79Å; L9-G11 VanDerWaalsContact C-N 3.29Å; L9-G11 PolarHBondContact O-N 2.88Å; G11-M13 VanDerWaalsContact C-N 3.33Å; G11-M13 PolarHBondContact O-N 3.03Å; G11-E14 PolarHBondContact O-N 2.96Å; G11-E14 VanDerWaalsContact O-N 3.15Å; G11-D15 PolarHBondContact O-N 2.97Å
12	A	90.1	Very high	82.1	Confident	49 Å²	49	88.7 Å²	88.7	41%	0.405	47%	0.474	S	S	.	.	H	α-helix	trans	-60.1	-41.2	176.7	0	0	0	0	0	112.5	T8 L9 D15 L16	T8-A12 PolarHBondContact O-N 2.61Å; L9-A12 PolarHBondContact O-N 3.09Å; A12-D15 PolarHBondContact O-N 3.26Å; A12-L16 WeakPolarHBondContact O-CG 3.08Å; A12-L16 PolarHBondContact O-N 2.84Å
13	M	90.5	Very high	84.6	Confident	110 Å²	110	81.8 Å²	81.8	54%	0.542	43%	0.431	S	S	.	.	H	α-helix	trans	-62.9	-43.5	174.4	-67.1	172.6	77	0	0	111.9	L9 Q10 G11 D15 L16 I17	L9-M13 HydrophobicContact CG-SD 4.28Å; L9-M13 VanDerWaalsContact O-CG 3.3Å; L9-M13 WeakPolarHBondContact O-CG 3.27Å; L9-M13 PolarHBondContact O-N 3.06Å; Q10-M13 PolarHBondContact O-N 2.86Å; G11-M13 VanDerWaalsContact C-N 3.33Å; G11-M13 PolarHBondContact O-N 3.03Å; M13-D15 VanDerWaalsContact C-N 3.29Å; M13-D15 PolarHBondContact O-N 2.84Å; M13-L16 PolarHBondContact O-N 2.82Å; M13-I17 VanDerWaalsContact O-CG1 3.31Å; M13-I17 WeakPolarHBondContact O-CG1 3.35Å; M13-I17 PolarHBondContact O-N 3.07Å; M13-I17 VanDerWaalsContact O-N 3.16Å
14	E	91.8	Very high	86.6	Confident	56 Å²	56	78.2 Å²	78.2	26%	0.262	40%	0.401	S	S	.	.	H	α-helix	trans	-61.9	-38.2	175.3	-76	-179.5	-175.8	0	0	111.4	K4 Q10 G11 I17 K18	K4-E14 IonicContact NZ-OE1 2.79Å; K4-E14 PolarHBondContact NZ-OE1 3.01Å; Q10-E14 WeakPolarHBondContact O-CG 3.34Å; Q10-E14 PolarHBondContact O-N 2.79Å; G11-E14 PolarHBondContact O-N 2.96Å; G11-E14 VanDerWaalsContact O-N 3.15Å; E14-I17 PolarHBondContact O-N 2.85Å; E14-K18 VanDerWaalsContact O-CG 3.29Å; E14-K18 WeakPolarHBondContact O-CG 3.4Å; E14-K18 PolarHBondContact O-N 2.9Å
15	D	92.2	Very high	88	Confident	82 Å²	82	73.2 Å²	73.2	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-71.8	-37.9	179.5	-68.1	-21.5	0	0	0	112.4	G11 A12 M13 I17 K18 V19	G11-D15 PolarHBondContact O-N 2.97Å; A12-D15 PolarHBondContact O-N 3.26Å; M13-D15 VanDerWaalsContact C-N 3.29Å; M13-D15 PolarHBondContact O-N 2.84Å; D15-I17 VanDerWaalsContact C-N 3.32Å; D15-I17 PolarHBondContact O-N 2.79Å; D15-K18 PolarHBondContact O-N 3.18Å; D15-K18 IonicContact OD1-NZ 2.8Å; D15-K18 PolarHBondContact OD1-NZ 3.34Å; D15-V19 WeakPolarHBondContact O-CG2 3.27Å; D15-V19 PolarHBondContact O-N 3.02Å
16	L	92.1	Very high	89.1	Confident	59 Å²	59	69.5 Å²	69.5	31%	0.309	37%	0.374	S	S	.	.	H	α-helix	trans	-58.4	-44.5	171.5	-73.2	171.7	0	0	0	112	A12 M13 V19 F20 F79 V83	A12-L16 WeakPolarHBondContact O-CG 3.08Å; A12-L16 PolarHBondContact O-N 2.84Å; M13-L16 PolarHBondContact O-N 2.82Å; L16-V19 PolarHBondContact O-N 2.92Å; L16-F20 PolarHBondContact O-N 2.88Å; L16-F79 HydrophobicContact CD2-CE1 4.5Å; L16-V83 HydrophobicContact CD2-CB 4.48Å; L16-V83 HydrophobicContact CD2-CG1 3.77Å; L16-V83 HydrophobicContact CD2-CG2 4.29Å
17	I	92.9	Very high	89.9	Confident	73 Å²	73	72.5 Å²	72.5	37%	0.374	38%	0.383	S	S	.	.	H	α-helix	trans	-61.7	-46.4	176.4	-68.8	166.4	0	0	0	110.3	M13 E14 D15 V19 F20 Y21 F76	M13-I17 VanDerWaalsContact O-CG1 3.31Å; M13-I17 WeakPolarHBondContact O-CG1 3.35Å; M13-I17 PolarHBondContact O-N 3.07Å; M13-I17 VanDerWaalsContact O-N 3.16Å; E14-I17 PolarHBondContact O-N 2.85Å; D15-I17 VanDerWaalsContact C-N 3.32Å; D15-I17 PolarHBondContact O-N 2.79Å; I17-V19 PolarHBondContact O-N 3.25Å; I17-F20 PolarHBondContact O-N 3.09Å; I17-Y21 HydrophobicContact CG2-CD2 3.64Å; I17-Y21 HydrophobicContact CG2-CE2 3.76Å; I17-Y21 VanDerWaalsContact O-CD2 3.24Å; I17-Y21 WeakPolarHBondContact O-CD2 3.19Å; I17-Y21 PolarHBondContact O-N 3.08Å; I17-Y21 VanDerWaalsContact O-N 3.07Å; I17-F76 HydrophobicContact CG1-CE1 4.44Å; I17-F76 HydrophobicContact CG1-CE2 4.05Å; I17-F76 HydrophobicContact CG1-CZ 3.6Å
18	K	92.7	Very high	89.7	Confident	120 Å²	120	72.7 Å²	72.7	52%	0.522	40%	0.397	S	S	.	.	H	α-helix	trans	-61.5	-42.8	178.8	-72.6	170.4	-156.8	153.6	0	112	E14 D15 R22	E14-K18 VanDerWaalsContact O-CG 3.29Å; E14-K18 WeakPolarHBondContact O-CG 3.4Å; E14-K18 PolarHBondContact O-N 2.9Å; D15-K18 PolarHBondContact O-N 3.18Å; D15-K18 IonicContact OD1-NZ 2.8Å; D15-K18 PolarHBondContact OD1-NZ 3.34Å; K18-R22 VanDerWaalsContact O-CB 3.24Å; K18-R22 WeakPolarHBondContact O-CB 3.44Å; K18-R22 PolarHBondContact O-N 3.14Å
19	V	92.9	Very high	89.5	Confident	38 Å²	38	69 Å²	69	23%	0.23	37%	0.372	C	S	.	.	H	α-helix	trans	-61.4	-49.7	177.8	169.1	0	0	0	0	109.7	D15 L16 I17 Y21 R22 Y23 M41 E45 F79	D15-V19 WeakPolarHBondContact O-CG2 3.27Å; D15-V19 PolarHBondContact O-N 3.02Å; L16-V19 PolarHBondContact O-N 2.92Å; I17-V19 PolarHBondContact O-N 3.25Å; V19-Y21 PolarHBondContact O-N 2.92Å; V19-R22 WeakPolarHBondContact O-CB 3.17Å; V19-R22 PolarHBondContact O-N 3.46Å; V19-R22 VanDerWaalsContact O-N 3.11Å; V19-Y23 HydrophobicContact CG1-CD2 4.23Å; V19-Y23 HydrophobicContact CG1-CE2 4.19Å; V19-Y23 VanDerWaalsContact O-CD2 3.22Å; V19-Y23 WeakPolarHBondContact O-CD2 3.35Å; V19-Y23 PolarHBondContact O-N 3.34Å; V19-M41 HydrophobicContact CG1-CG 4.34Å; V19-M41 HydrophobicContact CG1-SD 4.47Å; V19-E45 HydrophobicContact CG1-CG 4.17Å; V19-F79 HydrophobicContact CG1-CZ 4.47Å
20	F	93.3	Very high	89.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-54.6	-53	178.6	-176.9	-94.6	0	0	0	112.1	L16 I17 R22 Y23 S24 Y31 L33 F76 F79	L16-F20 PolarHBondContact O-N 2.88Å; I17-F20 PolarHBondContact O-N 3.09Å; F20-R22 VanDerWaalsContact C-N 3.26Å; F20-R22 PolarHBondContact O-N 2.95Å; F20-Y23 PolarHBondContact O-N 2.82Å; F20-Y23 VanDerWaalsContact O-N 3.16Å; F20-S24 WeakPolarHBondContact O-CB 3.27Å; F20-S24 PolarHBondContact O-N 2.83Å; F20-S24 PolarHBondContact O-OG 3.01Å; F20-Y31 WeakPolarHBondContact CE1-O 3.34Å; F20-Y31 WeakPolarHBondContact CZ-O 3.49Å; F20-L33 HydrophobicContact CD2-CD1 3.65Å; F20-L33 HydrophobicContact CD2-CG 4.17Å; F20-L33 HydrophobicContact CE2-CD1 3.55Å; F20-L33 HydrophobicContact CE2-CG 3.78Å; F20-L33 HydrophobicContact CZ-CD1 4.49Å; F20-L33 HydrophobicContact CZ-CG 4.26Å; F20-F76 HydrophobicContact CB-CD2 3.85Å; F20-F76 HydrophobicContact CB-CE2 3.96Å; F20-F76 HydrophobicContact CD1-CB 4.44Å; F20-F76 AromaticContact CD1-CD2 3.75Å; F20-F76 HydrophobicContact CD1-CD2 3.75Å; F20-F76 AromaticContact CD2-CD2 3.91Å; F20-F76 HydrophobicContact CD2-CD2 3.91Å; F20-F76 HydrophobicContact CE1-CB 4.09Å; F20-F76 HydrophobicContact CE1-CD2 4.24Å; F20-F76 HydrophobicContact CE2-CB 4.36Å; F20-F76 HydrophobicContact CE2-CD2 4.38Å; F20-F76 AromaticContact CG-CD2 3.56Å; F20-F76 HydrophobicContact CG-CD2 3.56Å; F20-F76 HydrophobicContact CG-CE2 4.19Å; F20-F76 HydrophobicContact CZ-CB 4.04Å; F20-F79 HydrophobicContact CB-CD1 4.13Å; F20-F79 HydrophobicContact CB-CE1 4.05Å; F20-F79 HydrophobicContact CD2-CB 3.65Å; F20-F79 AromaticContact CD2-CD1 3.68Å; F20-F79 HydrophobicContact CD2-CD1 3.68Å; F20-F79 HydrophobicContact CD2-CD2 4.1Å; F20-F79 HydrophobicContact CD2-CE1 4.35Å; F20-F79 AromaticContact CD2-CG 3.53Å; F20-F79 HydrophobicContact CD2-CG 3.53Å; F20-F79 HydrophobicContact CE2-CB 3.71Å; F20-F79 HydrophobicContact CE2-CG 4.12Å; F20-F79 HydrophobicContact CG-CD1 4.29Å
21	Y	93.2	Very high	89.7	Confident	108 Å²	108	70.6 Å²	70.6	42%	0.424	37%	0.369	S	S	.	.	H	α-helix	trans	-72.9	-12.7	-179.1	-72.8	-64.6	0	0	0	114.9	I17 V19 Y23 S24 Y31	I17-Y21 HydrophobicContact CG2-CD2 3.64Å; I17-Y21 HydrophobicContact CG2-CE2 3.76Å; I17-Y21 VanDerWaalsContact O-CD2 3.24Å; I17-Y21 WeakPolarHBondContact O-CD2 3.19Å; I17-Y21 PolarHBondContact O-N 3.08Å; I17-Y21 VanDerWaalsContact O-N 3.07Å; V19-Y21 PolarHBondContact O-N 2.92Å; Y21-Y23 VanDerWaalsContact C-N 3.32Å; Y21-S24 WeakPolarHBondContact CA-OG 3.37Å; Y21-S24 WeakPolarHBondContact CD1-OG 3.36Å; Y21-Y31 AromaticContact CE1-CD1 3.8Å; Y21-Y31 HydrophobicContact CE1-CD1 3.8Å; Y21-Y31 HydrophobicContact CE1-CE1 4.2Å
22	R	92.7	Very high	89.7	Confident	148 Å²	148	72.1 Å²	72.1	56%	0.558	37%	0.372	S	S	*	.	H	α-helix	trans	-71.4	-32.9	171.1	177.5	-177.3	178.1	-169.3	-0.4	111	K18 V19 F20 E45	K18-R22 VanDerWaalsContact O-CB 3.24Å; K18-R22 WeakPolarHBondContact O-CB 3.44Å; K18-R22 PolarHBondContact O-N 3.14Å; V19-R22 WeakPolarHBondContact O-CB 3.17Å; V19-R22 PolarHBondContact O-N 3.46Å; V19-R22 VanDerWaalsContact O-N 3.11Å; F20-R22 VanDerWaalsContact C-N 3.26Å; F20-R22 PolarHBondContact O-N 2.95Å; R22-E45 IonicContact CZ-OE1 2.72Å; R22-E45 IonicContact NH1-OE1 2.75Å; R22-E45 PolarHBondContact NH1-OE1 3.4Å
23	Y	92.8	Very high	89.8	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-101.3	-30.3	-176.7	-66.5	-78	0	0	0	113	V19 F20 Y21 N26 L33 E37 K40 M41 E44 E45	V19-Y23 HydrophobicContact CG1-CD2 4.23Å; V19-Y23 HydrophobicContact CG1-CE2 4.19Å; V19-Y23 VanDerWaalsContact O-CD2 3.22Å; V19-Y23 WeakPolarHBondContact O-CD2 3.35Å; V19-Y23 PolarHBondContact O-N 3.34Å; F20-Y23 PolarHBondContact O-N 2.82Å; F20-Y23 VanDerWaalsContact O-N 3.16Å; Y21-Y23 VanDerWaalsContact C-N 3.32Å; Y23-N26 PolarHBondContact O-ND2 2.9Å; Y23-L33 VanDerWaalsContact C-CD2 3.49Å; Y23-E37 WeakPolarHBondContact O-CB 3.46Å; Y23-E37 VanDerWaalsContact O-CD 3.28Å; Y23-E37 VanDerWaalsContact O-CG 3.28Å; Y23-E37 WeakPolarHBondContact O-CG 3.32Å; Y23-K40 HydrophobicContact CD1-CB 4.43Å; Y23-K40 HydrophobicContact CD1-CD 4.31Å; Y23-K40 HydrophobicContact CD1-CG 4.22Å; Y23-K40 HydrophobicContact CE1-CD 4.36Å; Y23-K40 HydrophobicContact CE1-CG 4.08Å; Y23-M41 HydrophobicContact CD1-CB 3.91Å; Y23-M41 HydrophobicContact CD2-CB 3.68Å; Y23-M41 HydrophobicContact CD2-CG 3.55Å; Y23-M41 HydrophobicContact CE1-CB 4.33Å; Y23-M41 HydrophobicContact CE2-CB 4.15Å; Y23-M41 HydrophobicContact CE2-CG 3.9Å; Y23-M41 HydrophobicContact CG-CB 3.59Å; Y23-M41 HydrophobicContact CG-CG 4Å; Y23-E44 HydrophobicContact CE1-CB 4.42Å; Y23-E44 VanDerWaalsContact CE1-OE2 3.27Å; Y23-E44 WeakPolarHBondContact CE1-OE2 3.45Å; Y23-E44 WeakPolarHBondContact OH-CB 3.42Å; Y23-E44 PolarHBondContact OH-OE2 3.14Å; Y23-E45 HydrophobicContact CE2-CG 3.58Å; Y23-E45 WeakPolarHBondContact CE2-OE1 3.48Å; Y23-E45 PolarHBondContact OH-OE1 3.27Å; Y23-E45 VanDerWaalsContact OH-OE1 3.1Å
24	S	90.8	Very high	89.8	Confident	8 Å²	8	65.6 Å²	65.6	6%	0.056	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	154.2	177	77.3	0	0	0	0	112.3	F20 Y21 N26 K30 K32 L33	F20-S24 WeakPolarHBondContact O-CB 3.27Å; F20-S24 PolarHBondContact O-N 2.83Å; F20-S24 PolarHBondContact O-OG 3.01Å; Y21-S24 WeakPolarHBondContact CA-OG 3.37Å; Y21-S24 WeakPolarHBondContact CD1-OG 3.36Å; S24-N26 PolarHBondContact O-N 2.88Å; S24-K30 PolarHBondContact OG-O 3.35Å; S24-K32 VanDerWaalsContact CB-O 3.31Å; S24-K32 WeakPolarHBondContact CB-O 3.44Å; S24-L33 VanDerWaalsContact N-CD2 3.32Å
25	G	84	Confident	89.6	Confident	37 Å²	37	67.2 Å²	67.2	38%	0.381	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	14.3	174	0	0	0	0	0	115.8	K30 E37	G25-K30 VanDerWaalsContact CA-CA 3.49Å; G25-E37 PolarHBondContact N-OE1 2.79Å
26	N	81.5	Confident	89.5	Confident	102 Å²	102	69.7 Å²	69.7	55%	0.545	35%	0.346	S	S	.	.	S	Bend	trans	-73.2	-35.6	165.8	-71.4	-58.1	0	0	0	110.1	Y23 S24 E37	Y23-N26 PolarHBondContact O-ND2 2.9Å; S24-N26 PolarHBondContact O-N 2.88Å; N26-E37 WeakPolarHBondContact CA-OE1 3.38Å; N26-E37 HydrophobicContact CB-CG 4.42Å; N26-E37 WeakPolarHBondContact CB-OE1 3.4Å; N26-E37 PolarHBondContact N-OE1 2.85Å
27	E	79.2	Confident	89.4	Confident	104 Å²	104	67.4 Å²	67.4	49%	0.486	33%	0.334	S	S	.	.	S	Bend	trans	-142.5	125.6	173.2	-68.8	-179.3	-170.8	0	0	110.3	N34 K36 E37	E27-N34 PolarHBondContact O-ND2 3.43Å; E27-K36 IonicContact OE1-NZ 2.61Å; E27-K36 IonicContact OE2-NZ 3.68Å; E27-K36 PolarHBondContact OE2-NZ 2.95Å; E27-E37 PolarHBondContact N-OE1 3.17Å
28	G	82.4	Confident	89.2	Confident	76 Å²	76	63.9 Å²	63.9	78%	0.784	32%	0.316	S	S	*	.	S	Bend	trans	90.1	-131.8	174.2	0	0	0	0	0	114.2
29	D	86.8	Confident	89	Confident	59 Å²	59	62.6 Å²	62.6	32%	0.316	31%	0.31	S	S	.	.			trans	-77.2	124	-178.7	-169	-18.7	0	0	0	111.1	Y31 K32	D29-Y31 PolarHBondContact O-N 3.12Å; D29-Y31 PolarHBondContact OD1-N 3.38Å; D29-K32 HydrophobicContact CB-CB 4.25Å; D29-K32 HydrophobicContact CB-CD 4.42Å; D29-K32 HydrophobicContact CB-CG 4.36Å; D29-K32 PolarHBondContact O-N 3.06Å
30	K	88.4	Confident	88.8	Confident	119 Å²	119	65.3 Å²	65.3	52%	0.517	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17	178.5	59.2	167.9	161.5	157	0	114.7	S24 G25	S24-K30 PolarHBondContact OG-O 3.35Å; G25-K30 VanDerWaalsContact CA-CA 3.49Å
31	Y	90.8	Very high	88.7	Confident	119 Å²	119	65.5 Å²	65.5	47%	0.467	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100	3.8	-178.9	-60.5	-66.4	0	0	0	113.3	F20 Y21 D29	F20-Y31 WeakPolarHBondContact CE1-O 3.34Å; F20-Y31 WeakPolarHBondContact CZ-O 3.49Å; Y21-Y31 AromaticContact CE1-CD1 3.8Å; Y21-Y31 HydrophobicContact CE1-CD1 3.8Å; Y21-Y31 HydrophobicContact CE1-CE1 4.2Å; D29-Y31 PolarHBondContact O-N 3.12Å; D29-Y31 PolarHBondContact OD1-N 3.38Å
32	K	93.1	Very high	88.3	Confident	45 Å²	45	60.5 Å²	60.5	20%	0.196	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	156.7	-178.9	-57.4	-178.3	178.7	-176.4	0	111.1	S24 D29 D71 E73 V74 D75	S24-K32 VanDerWaalsContact CB-O 3.31Å; S24-K32 WeakPolarHBondContact CB-O 3.44Å; D29-K32 HydrophobicContact CB-CB 4.25Å; D29-K32 HydrophobicContact CB-CD 4.42Å; D29-K32 HydrophobicContact CB-CG 4.36Å; D29-K32 PolarHBondContact O-N 3.06Å; K32-D71 IonicContact NZ-OD2 2.79Å; K32-D71 PolarHBondContact NZ-OD2 3.03Å; K32-E73 HydrophobicContact CB-CB 3.88Å; K32-E73 HydrophobicContact CD-CB 3.89Å; K32-E73 VanDerWaalsContact CD-OE2 3.27Å; K32-E73 WeakPolarHBondContact CD-OE2 3.3Å; K32-V74 CarbonylContact C-O 3.54Å; K32-V74 VanDerWaalsContact CA-O 3.32Å; K32-V74 WeakPolarHBondContact CA-O 3.38Å; K32-D75 HydrophobicContact CG-CB 4.19Å
33	L	92.3	Very high	87.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.3	173.7	-68.4	165.5	0	0	0	108.5	F20 Y23 S24 E37 L38 M41 E73 V74 F79	F20-L33 HydrophobicContact CD2-CD1 3.65Å; F20-L33 HydrophobicContact CD2-CG 4.17Å; F20-L33 HydrophobicContact CE2-CD1 3.55Å; F20-L33 HydrophobicContact CE2-CG 3.78Å; F20-L33 HydrophobicContact CZ-CD1 4.49Å; F20-L33 HydrophobicContact CZ-CG 4.26Å; Y23-L33 VanDerWaalsContact C-CD2 3.49Å; S24-L33 VanDerWaalsContact N-CD2 3.32Å; L33-E37 WeakPolarHBondContact CA-OE2 3.44Å; L33-E37 HydrophobicContact CB-CB 4.46Å; L33-E37 HydrophobicContact CD2-CB 3.81Å; L33-L38 HydrophobicContact CB-CB 4.4Å; L33-L38 HydrophobicContact CD1-CD1 4.18Å; L33-M41 HydrophobicContact CD1-SD 4.14Å; L33-E73 CarbonylContact O-C 3.52Å; L33-E73 WeakPolarHBondContact O-CA 3.34Å; L33-V74 HydrophobicContact CB-CB 4.28Å; L33-V74 PolarHBondContact N-O 3.36Å; L33-V74 PolarHBondContact O-N 2.72Å; L33-F79 HydrophobicContact CD1-CD2 4.41Å
34	N	90.9	Very high	87.6	Confident	23 Å²	23	63.6 Å²	63.6	12%	0.123	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	169.9	168.4	70.3	54	0	0	0	111	E27 K36 E37 L38	E27-N34 PolarHBondContact O-ND2 3.43Å; N34-K36 PolarHBondContact O-N 3.14Å; N34-K36 VanDerWaalsContact O-N 3.09Å; N34-K36 WeakPolarHBondContact OD1-CA 3.5Å; N34-K36 WeakPolarHBondContact OD1-CB 3.35Å; N34-K36 PolarHBondContact OD1-N 2.81Å; N34-E37 PolarHBondContact N-OE2 2.99Å; N34-E37 PolarHBondContact ND2-OE2 3.29Å; N34-E37 VanDerWaalsContact ND2-OE2 3.14Å; N34-E37 PolarHBondContact O-N 3.35Å; N34-E37 VanDerWaalsContact O-N 3.08Å; N34-E37 PolarHBondContact OD1-N 2.97Å; N34-L38 WeakPolarHBondContact O-CB 3.31Å; N34-L38 PolarHBondContact O-N 3Å
35	K	87.3	Confident	87.4	Confident	90 Å²	90	66.8 Å²	66.8	39%	0.391	34%	0.335	S	S	.	.	H	α-helix	trans	-52.1	-36	-179	-172.9	176.2	-177.9	178	0	114	K39 E60 M63	K35-K39 WeakPolarHBondContact O-CB 3.26Å; K35-K39 PolarHBondContact O-N 3.3Å; K35-K39 VanDerWaalsContact O-N 3.14Å; K35-E60 IonicContact NZ-OE1 3.7Å; K35-E60 PolarHBondContact NZ-OE1 3.47Å; K35-E60 IonicContact NZ-OE2 2.8Å; K35-E60 PolarHBondContact NZ-OE2 3.19Å; K35-M63 HydrophobicContact CB-SD 4.29Å
36	K	88.7	Confident	87.3	Confident	134 Å²	134	66.7 Å²	66.7	58%	0.583	33%	0.326	S	S	*	.	H	α-helix	trans	-74.9	-43.2	179.6	-59.9	178.4	-169.9	162.8	0	111.3	E27 N34 K39 K40	E27-K36 IonicContact OE1-NZ 2.61Å; E27-K36 IonicContact OE2-NZ 3.68Å; E27-K36 PolarHBondContact OE2-NZ 2.95Å; N34-K36 PolarHBondContact O-N 3.14Å; N34-K36 VanDerWaalsContact O-N 3.09Å; N34-K36 WeakPolarHBondContact OD1-CA 3.5Å; N34-K36 WeakPolarHBondContact OD1-CB 3.35Å; N34-K36 PolarHBondContact OD1-N 2.81Å; K36-K39 WeakPolarHBondContact O-CB 3.31Å; K36-K39 PolarHBondContact O-N 3.43Å; K36-K40 PolarHBondContact O-N 2.91Å
37	E	91.5	Very high	87	Confident	10 Å²	10	64.2 Å²	64.2	5%	0.047	32%	0.317	C	S	.	.	H	α-helix	trans	-64.6	-45.4	178.8	-68	171.4	151.1	0	0	110.8	Y23 G25 N26 E27 L33 N34 K39 K40 M41	Y23-E37 WeakPolarHBondContact O-CB 3.46Å; Y23-E37 VanDerWaalsContact O-CD 3.28Å; Y23-E37 VanDerWaalsContact O-CG 3.28Å; Y23-E37 WeakPolarHBondContact O-CG 3.32Å; G25-E37 PolarHBondContact N-OE1 2.79Å; N26-E37 WeakPolarHBondContact CA-OE1 3.38Å; N26-E37 HydrophobicContact CB-CG 4.42Å; N26-E37 WeakPolarHBondContact CB-OE1 3.4Å; N26-E37 PolarHBondContact N-OE1 2.85Å; E27-E37 PolarHBondContact N-OE1 3.17Å; L33-E37 WeakPolarHBondContact CA-OE2 3.44Å; L33-E37 HydrophobicContact CB-CB 4.46Å; L33-E37 HydrophobicContact CD2-CB 3.81Å; N34-E37 PolarHBondContact N-OE2 2.99Å; N34-E37 PolarHBondContact ND2-OE2 3.29Å; N34-E37 VanDerWaalsContact ND2-OE2 3.14Å; N34-E37 PolarHBondContact O-N 3.35Å; N34-E37 VanDerWaalsContact O-N 3.08Å; N34-E37 PolarHBondContact OD1-N 2.97Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 3.27Å; E37-K40 PolarHBondContact O-N 2.93Å; E37-K40 VanDerWaalsContact O-N 3.15Å; E37-M41 PolarHBondContact O-N 2.8Å
38	L	89.1	Confident	86.6	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-59.1	-45.3	174.7	-174.2	68	0	0	0	111.1	L33 N34 K40 M41 F42 M63 L66 V74	L33-L38 HydrophobicContact CB-CB 4.4Å; L33-L38 HydrophobicContact CD1-CD1 4.18Å; N34-L38 WeakPolarHBondContact O-CB 3.31Å; N34-L38 PolarHBondContact O-N 3Å; L38-K40 VanDerWaalsContact C-N 3.31Å; L38-K40 PolarHBondContact O-N 3.26Å; L38-M41 HydrophobicContact CD1-CE 3.77Å; L38-M41 PolarHBondContact O-N 2.84Å; L38-F42 HydrophobicContact CD1-CD2 4.2Å; L38-F42 HydrophobicContact CD1-CE2 3.75Å; L38-F42 HydrophobicContact CD1-CZ 4.18Å; L38-F42 HydrophobicContact CD2-CD2 4.46Å; L38-F42 HydrophobicContact CD2-CE2 3.85Å; L38-F42 HydrophobicContact CG-CD2 3.81Å; L38-F42 HydrophobicContact CG-CE2 3.56Å; L38-F42 HydrophobicContact CG-CZ 4.45Å; L38-F42 VanDerWaalsContact O-CB 3.3Å; L38-F42 WeakPolarHBondContact O-CB 3.43Å; L38-F42 WeakPolarHBondContact O-CD2 3.29Å; L38-F42 PolarHBondContact O-N 2.89Å; L38-M63 HydrophobicContact CB-SD 4.23Å; L38-M63 HydrophobicContact CD2-CB 4.15Å; L38-M63 HydrophobicContact CD2-CG 4.38Å; L38-M63 HydrophobicContact CD2-SD 3.34Å; L38-M63 WeakPolarHBondContact CD2-SD 3.3Å; L38-M63 HydrophobicContact CG-SD 4.41Å; L38-L66 HydrophobicContact CD2-CD1 4.49Å; L38-V74 HydrophobicContact CD2-CG2 4.12Å
39	K	86.6	Confident	85.9	Confident	93 Å²	93	69 Å²	69	40%	0.404	32%	0.317	S	S	.	.	H	α-helix	trans	-57.1	-44.2	175.3	-176.4	169.2	-179.9	177.7	0	112.1	K35 K36 E37 F42 Q43 V59	K35-K39 WeakPolarHBondContact O-CB 3.26Å; K35-K39 PolarHBondContact O-N 3.3Å; K35-K39 VanDerWaalsContact O-N 3.14Å; K36-K39 WeakPolarHBondContact O-CB 3.31Å; K36-K39 PolarHBondContact O-N 3.43Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 3.27Å; K39-F42 WeakPolarHBondContact O-CB 3.44Å; K39-F42 PolarHBondContact O-N 2.98Å; K39-Q43 WeakPolarHBondContact O-CG 3.49Å; K39-Q43 PolarHBondContact O-N 3.36Å; K39-V59 HydrophobicContact CB-CG1 3.91Å; K39-V59 HydrophobicContact CG-CG1 4.39Å; K39-V59 HydrophobicContact CG-CG2 4.23Å
40	K	89	Confident	84.8	Confident	95 Å²	95	67.4 Å²	67.4	41%	0.413	31%	0.308	S	S	.	.	H	α-helix	trans	-66.9	-46.8	-178.7	-173.6	-177.4	175.5	-174.5	0	111.6	Y23 K36 E37 L38 F42 Q43 E44	Y23-K40 HydrophobicContact CD1-CB 4.43Å; Y23-K40 HydrophobicContact CD1-CD 4.31Å; Y23-K40 HydrophobicContact CD1-CG 4.22Å; Y23-K40 HydrophobicContact CE1-CD 4.36Å; Y23-K40 HydrophobicContact CE1-CG 4.08Å; K36-K40 PolarHBondContact O-N 2.91Å; E37-K40 PolarHBondContact O-N 2.93Å; E37-K40 VanDerWaalsContact O-N 3.15Å; L38-K40 VanDerWaalsContact C-N 3.31Å; L38-K40 PolarHBondContact O-N 3.26Å; K40-F42 VanDerWaalsContact C-N 3.25Å; K40-F42 PolarHBondContact O-N 3.43Å; K40-Q43 PolarHBondContact O-N 3.14Å; K40-E44 WeakPolarHBondContact CE-OE1 3.3Å; K40-E44 HydrophobicContact CG-CG 4.49Å; K40-E44 PolarHBondContact O-N 2.98Å
41	M	90.9	Very high	83.3	Confident	3 Å²	3	67.1 Å²	67.1	2%	0.015	31%	0.313	C	S	.	.	H	α-helix	trans	-54.1	-47.3	174.6	-178.4	-163.7	80.8	0	0	110.7	V19 Y23 L33 E37 L38 Q43 E44 E45 F79 L82	V19-M41 HydrophobicContact CG1-CG 4.34Å; V19-M41 HydrophobicContact CG1-SD 4.47Å; Y23-M41 HydrophobicContact CD1-CB 3.91Å; Y23-M41 HydrophobicContact CD2-CB 3.68Å; Y23-M41 HydrophobicContact CD2-CG 3.55Å; Y23-M41 HydrophobicContact CE1-CB 4.33Å; Y23-M41 HydrophobicContact CE2-CB 4.15Å; Y23-M41 HydrophobicContact CE2-CG 3.9Å; Y23-M41 HydrophobicContact CG-CB 3.59Å; Y23-M41 HydrophobicContact CG-CG 4Å; L33-M41 HydrophobicContact CD1-SD 4.14Å; E37-M41 PolarHBondContact O-N 2.8Å; L38-M41 HydrophobicContact CD1-CE 3.77Å; L38-M41 PolarHBondContact O-N 2.84Å; M41-Q43 PolarHBondContact O-N 2.93Å; M41-E44 PolarHBondContact O-N 3.07Å; M41-E45 HydrophobicContact CG-CG 4.33Å; M41-E45 WeakPolarHBondContact O-CB 3.44Å; M41-E45 PolarHBondContact O-N 3.15Å; M41-F79 HydrophobicContact CE-CD2 4.17Å; M41-F79 HydrophobicContact CE-CE2 3.83Å; M41-F79 HydrophobicContact SD-CD2 4Å; M41-F79 HydrophobicContact SD-CE2 3.47Å; M41-F79 WeakPolarHBondContact SD-CE2 3.28Å; M41-F79 HydrophobicContact SD-CZ 4.41Å; M41-L82 HydrophobicContact CE-CD2 4.34Å
42	F	84.9	Confident	81.5	Confident	4 Å²	4	65.3 Å²	65.3	2%	0.018	33%	0.33	C	S	.	.	H	α-helix	trans	-58.8	-47.3	177.8	-93.4	-33.7	0	0	0	112.8	L38 K39 K40 E44 L46 S47 L50 V59 I62 L82	L38-F42 HydrophobicContact CD1-CD2 4.2Å; L38-F42 HydrophobicContact CD1-CE2 3.75Å; L38-F42 HydrophobicContact CD1-CZ 4.18Å; L38-F42 HydrophobicContact CD2-CD2 4.46Å; L38-F42 HydrophobicContact CD2-CE2 3.85Å; L38-F42 HydrophobicContact CG-CD2 3.81Å; L38-F42 HydrophobicContact CG-CE2 3.56Å; L38-F42 HydrophobicContact CG-CZ 4.45Å; L38-F42 VanDerWaalsContact O-CB 3.3Å; L38-F42 WeakPolarHBondContact O-CB 3.43Å; L38-F42 WeakPolarHBondContact O-CD2 3.29Å; L38-F42 PolarHBondContact O-N 2.89Å; K39-F42 WeakPolarHBondContact O-CB 3.44Å; K39-F42 PolarHBondContact O-N 2.98Å; K40-F42 VanDerWaalsContact C-N 3.25Å; K40-F42 PolarHBondContact O-N 3.43Å; F42-E44 PolarHBondContact O-N 2.85Å; F42-L46 HydrophobicContact CD1-CB 4.16Å; F42-L46 HydrophobicContact CD1-CD1 3.51Å; F42-L46 HydrophobicContact CD1-CG 4.41Å; F42-L46 HydrophobicContact CE1-CD1 3.57Å; F42-L46 CarbonylContact O-C 3.6Å; F42-L46 VanDerWaalsContact O-CA 3.28Å; F42-L46 WeakPolarHBondContact O-CA 3.28Å; F42-L46 WeakPolarHBondContact O-CB 3.48Å; F42-L46 PolarHBondContact O-N 2.89Å; F42-S47 PolarHBondContact O-N 3.49Å; F42-L50 HydrophobicContact CB-CD1 3.37Å; F42-L50 HydrophobicContact CD1-CD1 4.17Å; F42-L50 HydrophobicContact CG-CD1 3.95Å; F42-L50 WeakPolarHBondContact O-CD1 3.49Å; F42-V59 HydrophobicContact CD2-CG1 4.36Å; F42-V59 HydrophobicContact CD2-CG2 4.49Å; F42-I62 HydrophobicContact CE2-CB 4.31Å; F42-I62 HydrophobicContact CE2-CD1 4.24Å; F42-I62 HydrophobicContact CE2-CG2 3.66Å; F42-I62 HydrophobicContact CZ-CD1 4.32Å; F42-I62 HydrophobicContact CZ-CG2 3.62Å; F42-L82 HydrophobicContact CE1-CD1 4.5Å; F42-L82 HydrophobicContact CE1-CD2 3.67Å; F42-L82 HydrophobicContact CZ-CD1 4.14Å; F42-L82 HydrophobicContact CZ-CD2 3.38Å; F42-L82 HydrophobicContact CZ-CG 4.35Å
43	Q	83.5	Confident	79.6	Confident	119 Å²	119	64.8 Å²	64.8	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-68.1	-31.7	179.4	-72.9	-179.8	-35.6	0	0	113.8	K39 K40 M41 S47	K39-Q43 WeakPolarHBondContact O-CG 3.49Å; K39-Q43 PolarHBondContact O-N 3.36Å; K40-Q43 PolarHBondContact O-N 3.14Å; M41-Q43 PolarHBondContact O-N 2.93Å; Q43-S47 WeakPolarHBondContact O-CB 3.4Å
44	E	87.9	Confident	77.8	Confident	95 Å²	95	72.2 Å²	72.2	44%	0.444	37%	0.372	S	S	.	.	H	α-helix	trans	-90.3	-44.5	-176.6	-71	-177.1	-169.1	0	0	112.8	Y23 K40 M41 F42	Y23-E44 HydrophobicContact CE1-CB 4.42Å; Y23-E44 VanDerWaalsContact CE1-OE2 3.27Å; Y23-E44 WeakPolarHBondContact CE1-OE2 3.45Å; Y23-E44 WeakPolarHBondContact OH-CB 3.42Å; Y23-E44 PolarHBondContact OH-OE2 3.14Å; K40-E44 WeakPolarHBondContact CE-OE1 3.3Å; K40-E44 HydrophobicContact CG-CG 4.49Å; K40-E44 PolarHBondContact O-N 2.98Å; M41-E44 PolarHBondContact O-N 3.07Å; F42-E44 PolarHBondContact O-N 2.85Å
45	E	87.4	Confident	76.7	Confident	76 Å²	76	74.4 Å²	74.4	36%	0.355	38%	0.383	S	S	.	.	H	α-helix	trans	-95.1	-25.2	-173.8	-56.1	-70.6	-179.1	0	0	112.5	V19 R22 Y23 M41	V19-E45 HydrophobicContact CG1-CG 4.17Å; R22-E45 IonicContact CZ-OE1 2.72Å; R22-E45 IonicContact NH1-OE1 2.75Å; R22-E45 PolarHBondContact NH1-OE1 3.4Å; Y23-E45 HydrophobicContact CE2-CG 3.58Å; Y23-E45 WeakPolarHBondContact CE2-OE1 3.48Å; Y23-E45 PolarHBondContact OH-OE1 3.27Å; Y23-E45 VanDerWaalsContact OH-OE1 3.1Å; M41-E45 HydrophobicContact CG-CG 4.33Å; M41-E45 WeakPolarHBondContact O-CB 3.44Å; M41-E45 PolarHBondContact O-N 3.15Å
46	L	80.5	Confident	75.7	Confident	34 Å²	34	75.8 Å²	75.8	18%	0.178	40%	0.402	C	S	.	.	S	Bend	trans	-127.7	27.2	-172	-62.7	172.8	0	0	0	112.5	F42 E48 F49 L50 L86	F42-L46 HydrophobicContact CD1-CB 4.16Å; F42-L46 HydrophobicContact CD1-CD1 3.51Å; F42-L46 HydrophobicContact CD1-CG 4.41Å; F42-L46 HydrophobicContact CE1-CD1 3.57Å; F42-L46 CarbonylContact O-C 3.6Å; F42-L46 VanDerWaalsContact O-CA 3.28Å; F42-L46 WeakPolarHBondContact O-CA 3.28Å; F42-L46 WeakPolarHBondContact O-CB 3.48Å; F42-L46 PolarHBondContact O-N 2.89Å; L46-E48 VanDerWaalsContact C-N 3.27Å; L46-E48 PolarHBondContact O-N 3.37Å; L46-F49 HydrophobicContact CB-CB 4.34Å; L46-F49 HydrophobicContact CB-CD2 4.28Å; L46-F49 HydrophobicContact CD2-CD2 3.6Å; L46-F49 HydrophobicContact CD2-CE2 4.01Å; L46-F49 HydrophobicContact CD2-CG 4.49Å; L46-F49 WeakPolarHBondContact O-CB 3.33Å; L46-F49 PolarHBondContact O-N 3.43Å; L46-L50 WeakPolarHBondContact O-CG 3.25Å; L46-L50 PolarHBondContact O-N 3.04Å; L46-L50 VanDerWaalsContact O-N 3.15Å; L46-L86 HydrophobicContact CD1-CD1 3.82Å
47	S	75.4	Confident	75	Confident	51 Å²	51	70.4 Å²	70.4	36%	0.357	38%	0.384	S	S	.	.	H	α-helix	trans	-52.9	-41.4	-179.4	55.4	0	0	0	0	113.3	F42 Q43 F49 L50 N51	F42-S47 PolarHBondContact O-N 3.49Å; Q43-S47 WeakPolarHBondContact O-CB 3.4Å; S47-F49 VanDerWaalsContact C-N 3.33Å; S47-F49 PolarHBondContact O-N 2.89Å; S47-L50 PolarHBondContact O-N 3.36Å; S47-N51 WeakPolarHBondContact O-CB 3.46Å; S47-N51 PolarHBondContact O-N 3.07Å; S47-N51 PolarHBondContact O-ND2 3.31Å; S47-N51 PolarHBondContact O-OD1 3.06Å
48	E	71.7	Confident	74.4	Confident	170 Å²	170	72.6 Å²	72.6	79%	0.794	40%	0.395	S	S	*	.	H	α-helix	trans	-66.1	-34.6	178.4	-67.2	-170.5	90.9	0	0	112.8	L46 L50	L46-E48 VanDerWaalsContact C-N 3.27Å; L46-E48 PolarHBondContact O-N 3.37Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 3.41Å
49	F	67	Low	73.9	Confident	109 Å²	109	73.6 Å²	73.6	48%	0.478	40%	0.401	S	S	.	.	H	α-helix	trans	-69.5	-30.5	175.3	-74	-78.4	0	0	0	112.6	L46 S47 C90	L46-F49 HydrophobicContact CB-CB 4.34Å; L46-F49 HydrophobicContact CB-CD2 4.28Å; L46-F49 HydrophobicContact CD2-CD2 3.6Å; L46-F49 HydrophobicContact CD2-CE2 4.01Å; L46-F49 HydrophobicContact CD2-CG 4.49Å; L46-F49 WeakPolarHBondContact O-CB 3.33Å; L46-F49 PolarHBondContact O-N 3.43Å; S47-F49 VanDerWaalsContact C-N 3.33Å; S47-F49 PolarHBondContact O-N 2.89Å; F49-C90 WeakPolarHBondContact CE1-SG 3.29Å; F49-C90 WeakPolarHBondContact CZ-SG 3.38Å
50	L	64.5	Low	73.8	Confident	26 Å²	26	73.8 Å²	73.8	14%	0.136	40%	0.403	C	S	.	.	H	α-helix	trans	-95	-19.1	-176.3	-62.5	167.1	0	0	0	113.5	F42 L46 S47 E48 G52 S53 M58 I62	F42-L50 HydrophobicContact CB-CD1 3.37Å; F42-L50 HydrophobicContact CD1-CD1 4.17Å; F42-L50 HydrophobicContact CG-CD1 3.95Å; F42-L50 WeakPolarHBondContact O-CD1 3.49Å; L46-L50 WeakPolarHBondContact O-CG 3.25Å; L46-L50 PolarHBondContact O-N 3.04Å; L46-L50 VanDerWaalsContact O-N 3.15Å; S47-L50 PolarHBondContact O-N 3.36Å; E48-L50 VanDerWaalsContact C-N 3.31Å; E48-L50 PolarHBondContact O-N 3.41Å; L50-G52 PolarHBondContact O-N 3.37Å; L50-S53 CarbonylContact O-C 3.09Å; L50-S53 PolarHBondContact O-N 3.47Å; L50-S53 PolarHBondContact O-OG 3Å; L50-M58 HydrophobicContact CD2-CE 3.97Å; L50-I62 HydrophobicContact CD2-CD1 4.46Å
51	N	56.5	Low	73.5	Confident	114 Å²	114	76 Å²	76	61%	0.61	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-20.9	177.6	-84.4	-17.6	0	0	0	112.9	S47 S53	S47-N51 WeakPolarHBondContact O-CB 3.46Å; S47-N51 PolarHBondContact O-N 3.07Å; S47-N51 PolarHBondContact O-ND2 3.31Å; S47-N51 PolarHBondContact O-OD1 3.06Å; N51-S53 PolarHBondContact O-N 2.98Å
52	G	53	Low	73.1	Confident	80 Å²	80	77.5 Å²	77.5	83%	0.825	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.6	171.1	0	0	0	0	0	114.1	L50	L50-G52 PolarHBondContact O-N 3.37Å
53	S	53	Low	73.1	Confident	35 Å²	35	77.8 Å²	77.8	25%	0.245	42%	0.422	C	S	.	.			trans	-140.6	83.5	-167.9	54.1	0	0	0	0	110.8	L50 N51 D55 M58	L50-S53 CarbonylContact O-C 3.09Å; L50-S53 PolarHBondContact O-N 3.47Å; L50-S53 PolarHBondContact O-OG 3Å; N51-S53 PolarHBondContact O-N 2.98Å; S53-D55 PolarHBondContact O-N 3.41Å; S53-M58 WeakPolarHBondContact CB-SD 3.47Å; S53-M58 PolarHBondContact OG-SD 3.16Å
54	N	55.4	Low	73.2	Confident	156 Å²	156	77.1 Å²	77.1	83%	0.834	43%	0.426	S	S	*	.			trans	-70	31	168.9	-78	-62	0	0	0	112.8	P56	N54-P56 VanDerWaalsContact O-CD 3.25Å; N54-P56 WeakPolarHBondContact O-CD 3.44Å
55	D	67.4	Low	73.1	Confident	68 Å²	68	75.2 Å²	75.2	36%	0.364	43%	0.432	S	S	.	.			trans	-85.5	110	177	-179.6	9.3	0	0	0	109.1	S53 G57 M58 K61	S53-D55 PolarHBondContact O-N 3.41Å; D55-G57 PolarHBondContact O-N 3.42Å; D55-G57 PolarHBondContact OD1-N 3.38Å; D55-M58 HydrophobicContact CB-CB 4.16Å; D55-M58 WeakPolarHBondContact O-CB 3.41Å; D55-M58 PolarHBondContact O-N 3.11Å; D55-K61 IonicContact OD2-NZ 2.84Å; D55-K61 PolarHBondContact OD2-NZ 3.44Å
56	P	65.7	Low	73	Confident	120 Å²	120	72.4 Å²	72.4	78%	0.779	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-18.3	177.1	24.6	-32.9	0	0	0	113.1	N54	N54-P56 VanDerWaalsContact O-CD 3.25Å; N54-P56 WeakPolarHBondContact O-CD 3.44Å
57	G	73.8	Confident	73.3	Confident	21 Å²	21	71.8 Å²	71.8	22%	0.216	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-4.6	175.1	0	0	0	0	0	115	D55 E60 K61	D55-G57 PolarHBondContact O-N 3.42Å; D55-G57 PolarHBondContact OD1-N 3.38Å; G57-E60 WeakPolarHBondContact O-CB 3.34Å; G57-E60 PolarHBondContact O-N 3.29Å; G57-K61 WeakPolarHBondContact O-CG 3.47Å; G57-K61 PolarHBondContact O-N 3Å
58	M	78.2	Confident	74	Confident	56 Å²	56	75.1 Å²	75.1	28%	0.276	43%	0.43	S	S	.	.	H	α-helix	trans	-65.5	-43.1	-177.1	175.1	152.2	168.9	0	0	112.6	L50 S53 D55 E60 K61 I62	L50-M58 HydrophobicContact CD2-CE 3.97Å; S53-M58 WeakPolarHBondContact CB-SD 3.47Å; S53-M58 PolarHBondContact OG-SD 3.16Å; D55-M58 HydrophobicContact CB-CB 4.16Å; D55-M58 WeakPolarHBondContact O-CB 3.41Å; D55-M58 PolarHBondContact O-N 3.11Å; M58-E60 PolarHBondContact O-N 2.9Å; M58-K61 PolarHBondContact O-N 3.36Å; M58-I62 HydrophobicContact CE-CD1 3.78Å; M58-I62 HydrophobicContact CG-CD1 3.65Å; M58-I62 HydrophobicContact CG-CG1 4.2Å; M58-I62 VanDerWaalsContact O-CG1 3.3Å; M58-I62 WeakPolarHBondContact O-CG1 3.24Å; M58-I62 PolarHBondContact O-N 2.84Å
59	V	80.3	Confident	74.8	Confident	20 Å²	20	70.9 Å²	70.9	12%	0.121	41%	0.413	C	S	.	.	H	α-helix	trans	-61.3	-35.1	177.8	177.8	0	0	0	0	111.1	K39 F42 M63	K39-V59 HydrophobicContact CB-CG1 3.91Å; K39-V59 HydrophobicContact CG-CG1 4.39Å; K39-V59 HydrophobicContact CG-CG2 4.23Å; F42-V59 HydrophobicContact CD2-CG1 4.36Å; F42-V59 HydrophobicContact CD2-CG2 4.49Å; V59-M63 VanDerWaalsContact O-CB 3.27Å; V59-M63 WeakPolarHBondContact O-CB 3.48Å; V59-M63 PolarHBondContact O-N 3.33Å
60	E	83.3	Confident	75.8	Confident	98 Å²	98	74.2 Å²	74.2	46%	0.458	43%	0.427	S	S	.	.	H	α-helix	trans	-69.7	-42.7	176	-178.2	154.7	-147	0	0	112.1	K35 G57 M58 I62 M63 T64	K35-E60 IonicContact NZ-OE1 3.7Å; K35-E60 PolarHBondContact NZ-OE1 3.47Å; K35-E60 IonicContact NZ-OE2 2.8Å; K35-E60 PolarHBondContact NZ-OE2 3.19Å; G57-E60 WeakPolarHBondContact O-CB 3.34Å; G57-E60 PolarHBondContact O-N 3.29Å; M58-E60 PolarHBondContact O-N 2.9Å; E60-I62 VanDerWaalsContact C-N 3.33Å; E60-I62 PolarHBondContact O-N 2.85Å; E60-M63 WeakPolarHBondContact O-CB 3.31Å; E60-M63 PolarHBondContact O-N 2.96Å; E60-T64 PolarHBondContact O-N 2.86Å; E60-T64 PolarHBondContact O-OG1 3.34Å
61	K	83.3	Confident	77	Confident	141 Å²	141	76 Å²	76	61%	0.613	44%	0.437	S	S	*	.	H	α-helix	trans	-61.3	-41.9	173.3	-69.1	168.3	-175.3	163	0	112	D55 G57 M58 G65	D55-K61 IonicContact OD2-NZ 2.84Å; D55-K61 PolarHBondContact OD2-NZ 3.44Å; G57-K61 WeakPolarHBondContact O-CG 3.47Å; G57-K61 PolarHBondContact O-N 3Å; M58-K61 PolarHBondContact O-N 3.36Å; K61-G65 PolarHBondContact O-N 3.21Å
62	I	82.9	Confident	78.4	Confident	34 Å²	34	72.6 Å²	72.6	17%	0.174	43%	0.429	C	S	.	.	H	α-helix	trans	-65.2	-49	176.7	-66.5	165.7	0	0	0	109.6	F42 L50 M58 E60 T64 G65 L66 L82	F42-I62 HydrophobicContact CE2-CB 4.31Å; F42-I62 HydrophobicContact CE2-CD1 4.24Å; F42-I62 HydrophobicContact CE2-CG2 3.66Å; F42-I62 HydrophobicContact CZ-CD1 4.32Å; F42-I62 HydrophobicContact CZ-CG2 3.62Å; L50-I62 HydrophobicContact CD2-CD1 4.46Å; M58-I62 HydrophobicContact CE-CD1 3.78Å; M58-I62 HydrophobicContact CG-CD1 3.65Å; M58-I62 HydrophobicContact CG-CG1 4.2Å; M58-I62 VanDerWaalsContact O-CG1 3.3Å; M58-I62 WeakPolarHBondContact O-CG1 3.24Å; M58-I62 PolarHBondContact O-N 2.84Å; E60-I62 VanDerWaalsContact C-N 3.33Å; E60-I62 PolarHBondContact O-N 2.85Å; I62-T64 VanDerWaalsContact C-N 3.32Å; I62-T64 PolarHBondContact O-N 3.26Å; I62-G65 CarbonylContact O-C 3.38Å; I62-G65 WeakPolarHBondContact O-CA 3.32Å; I62-G65 PolarHBondContact O-N 2.83Å; I62-L66 HydrophobicContact CG2-CD1 3.61Å; I62-L66 HydrophobicContact CG2-CG 4.05Å; I62-L66 VanDerWaalsContact O-CG 3.29Å; I62-L66 WeakPolarHBondContact O-CG 3.47Å; I62-L66 PolarHBondContact O-N 3.46Å; I62-L82 HydrophobicContact CG2-CD1 4.19Å
63	M	84.9	Confident	80.3	Confident	11 Å²	11	71 Å²	71	5%	0.054	40%	0.4	C	S	.	.	H	α-helix	trans	-51.8	-51.6	176	-170.8	94	-175.8	0	0	111	K35 L38 V59 E60 G65 L66 D67 G72 E73 V74	K35-M63 HydrophobicContact CB-SD 4.29Å; L38-M63 HydrophobicContact CB-SD 4.23Å; L38-M63 HydrophobicContact CD2-CB 4.15Å; L38-M63 HydrophobicContact CD2-CG 4.38Å; L38-M63 HydrophobicContact CD2-SD 3.34Å; L38-M63 WeakPolarHBondContact CD2-SD 3.3Å; L38-M63 HydrophobicContact CG-SD 4.41Å; V59-M63 VanDerWaalsContact O-CB 3.27Å; V59-M63 WeakPolarHBondContact O-CB 3.48Å; V59-M63 PolarHBondContact O-N 3.33Å; E60-M63 WeakPolarHBondContact O-CB 3.31Å; E60-M63 PolarHBondContact O-N 2.96Å; M63-G65 PolarHBondContact O-N 3.49Å; M63-L66 PolarHBondContact O-N 2.96Å; M63-L66 VanDerWaalsContact O-N 3.07Å; M63-D67 WeakPolarHBondContact O-CB 3.22Å; M63-D67 PolarHBondContact O-N 2.86Å; M63-G72 WeakPolarHBondContact CE-O 3.33Å; M63-E73 VanDerWaalsContact CE-CA 3.42Å; M63-V74 HydrophobicContact CE-CG2 3.83Å; M63-V74 HydrophobicContact SD-CG2 3.83Å
64	T	85.3	Confident	82.1	Confident	105 Å²	105	69.3 Å²	69.3	64%	0.644	39%	0.388	S	S	*	.	H	α-helix	trans	-64.1	-26.7	178.6	-55.9	0	0	0	0	113.4	E60 I62	E60-T64 PolarHBondContact O-N 2.86Å; E60-T64 PolarHBondContact O-OG1 3.34Å; I62-T64 VanDerWaalsContact C-N 3.32Å; I62-T64 PolarHBondContact O-N 3.26Å
65	G	84.7	Confident	84	Confident	55 Å²	55	64 Å²	64	57%	0.567	36%	0.36	S	S	*	.	H	α-helix	trans	-82.2	-15.5	175.2	0	0	0	0	0	114.4	K61 I62 M63	K61-G65 PolarHBondContact O-N 3.21Å; I62-G65 CarbonylContact O-C 3.38Å; I62-G65 WeakPolarHBondContact O-CA 3.32Å; I62-G65 PolarHBondContact O-N 2.83Å; M63-G65 PolarHBondContact O-N 3.49Å
66	L	85.6	Confident	85.2	Confident	17 Å²	17	64 Å²	64	9%	0.089	36%	0.357	C	S	.	.	H	α-helix	trans	-102.6	-33.5	178.7	-64	177.3	0	0	0	113	L38 I62 M63 D68 V74 E78 L82	L38-L66 HydrophobicContact CD2-CD1 4.49Å; I62-L66 HydrophobicContact CG2-CD1 3.61Å; I62-L66 HydrophobicContact CG2-CG 4.05Å; I62-L66 VanDerWaalsContact O-CG 3.29Å; I62-L66 WeakPolarHBondContact O-CG 3.47Å; I62-L66 PolarHBondContact O-N 3.46Å; M63-L66 PolarHBondContact O-N 2.96Å; M63-L66 VanDerWaalsContact O-N 3.07Å; L66-D68 PolarHBondContact O-N 3.42Å; L66-V74 HydrophobicContact CB-CG2 4.12Å; L66-E78 WeakPolarHBondContact O-CB 3.45Å; L66-E78 VanDerWaalsContact O-CD 3.29Å; L66-E78 WeakPolarHBondContact O-CG 3.3Å; L66-L82 HydrophobicContact CD1-CB 3.82Å; L66-L82 HydrophobicContact CD1-CD1 3.97Å; L66-L82 HydrophobicContact CD1-CD2 3.73Å; L66-L82 HydrophobicContact CD1-CG 4.01Å; L66-L82 HydrophobicContact CD2-CB 3.53Å; L66-L82 HydrophobicContact CD2-CD1 4.07Å; L66-L82 HydrophobicContact CD2-CG 4.31Å; L66-L82 HydrophobicContact CG-CB 4.3Å; L66-L82 HydrophobicContact CG-CD1 4.49Å
67	D	88.2	Confident	86.5	Confident	20 Å²	20	65 Å²	65	11%	0.107	35%	0.351	C	S	.	.			trans	-71.7	72.3	177.4	179.1	17.8	0	0	0	110	M63 N69 K70 D71 G72	M63-D67 WeakPolarHBondContact O-CB 3.22Å; M63-D67 PolarHBondContact O-N 2.86Å; D67-N69 VanDerWaalsContact C-N 3.27Å; D67-N69 PolarHBondContact O-N 3.45Å; D67-N69 PolarHBondContact OD1-OD1 3.15Å; D67-N69 VanDerWaalsContact OD1-OD1 3.09Å; D67-K70 VanDerWaalsContact CG-CA 3.49Å; D67-K70 PolarHBondContact O-N 3.21Å; D67-K70 WeakPolarHBondContact OD1-CA 3.17Å; D67-K70 PolarHBondContact OD1-N 3Å; D67-K70 WeakPolarHBondContact OD2-CA 3.32Å; D67-D71 PolarHBondContact OD1-N 2.69Å; D67-G72 VanDerWaalsContact OD2-CA 3.27Å; D67-G72 WeakPolarHBondContact OD2-CA 3.35Å; D67-G72 PolarHBondContact OD2-N 3.16Å
68	D	88.6	Confident	87.3	Confident	122 Å²	122	64.3 Å²	64.3	65%	0.652	34%	0.342	S	S	*	.	S	Bend	trans	-66.2	-35.9	-178	-89.3	-13.2	0	0	0	110.5	L66 K70 E78	L66-D68 PolarHBondContact O-N 3.42Å; D68-K70 VanDerWaalsContact C-N 3.33Å; D68-E78 PolarHBondContact N-OE1 3.45Å
69	N	89.3	Confident	88	Confident	81 Å²	81	61.9 Å²	61.9	43%	0.433	33%	0.33	S	S	.	.	S	Bend	trans	-81.6	-12.9	-179.2	77	27	0	0	0	113.2	D67 D71 E78	D67-N69 VanDerWaalsContact C-N 3.27Å; D67-N69 PolarHBondContact O-N 3.45Å; D67-N69 PolarHBondContact OD1-OD1 3.15Å; D67-N69 VanDerWaalsContact OD1-OD1 3.09Å; N69-D71 PolarHBondContact ND2-OD2 3.28Å; N69-D71 WeakPolarHBondContact OD1-CB 3.24Å; N69-D71 PolarHBondContact OD1-N 2.96Å; N69-D71 PolarHBondContact OD1-OD1 3.43Å; N69-D71 PolarHBondContact OD1-OD2 2.89Å; N69-E78 PolarHBondContact N-OE1 2.89Å
70	K	88.2	Confident	88.5	Confident	179 Å²	179	63.7 Å²	63.7	78%	0.778	34%	0.341	S	S	*	.			trans	63	35.1	178.1	-56.1	-178.4	-178.1	178.6	0	114.1	D67 D68	D67-K70 VanDerWaalsContact CG-CA 3.49Å; D67-K70 PolarHBondContact O-N 3.21Å; D67-K70 WeakPolarHBondContact OD1-CA 3.17Å; D67-K70 PolarHBondContact OD1-N 3Å; D67-K70 WeakPolarHBondContact OD2-CA 3.32Å; D68-K70 VanDerWaalsContact C-N 3.33Å
71	D	89.1	Confident	88.8	Confident	64 Å²	64	62.8 Å²	62.8	34%	0.342	34%	0.342	S	S	.	.	S	Bend	trans	-88.7	-6.8	176.1	71.9	17.5	0	0	0	113.5	K32 D67 N69 E73	K32-D71 IonicContact NZ-OD2 2.79Å; K32-D71 PolarHBondContact NZ-OD2 3.03Å; D67-D71 PolarHBondContact OD1-N 2.69Å; N69-D71 PolarHBondContact ND2-OD2 3.28Å; N69-D71 WeakPolarHBondContact OD1-CB 3.24Å; N69-D71 PolarHBondContact OD1-N 2.96Å; N69-D71 PolarHBondContact OD1-OD1 3.43Å; N69-D71 PolarHBondContact OD1-OD2 2.89Å; D71-E73 VanDerWaalsContact C-N 3.31Å; D71-E73 WeakPolarHBondContact OD1-CA 3.27Å; D71-E73 WeakPolarHBondContact OD1-CB 2.92Å; D71-E73 PolarHBondContact OD1-N 3.1Å
72	G	87.4	Confident	88.9	Confident	42 Å²	42	56.8 Å²	56.8	43%	0.433	32%	0.316	S	S	.	.	S	Bend	trans	80.2	12.2	179.8	0	0	0	0	0	113.9	M63 D67	M63-G72 WeakPolarHBondContact CE-O 3.33Å; D67-G72 VanDerWaalsContact OD2-CA 3.27Å; D67-G72 WeakPolarHBondContact OD2-CA 3.35Å; D67-G72 PolarHBondContact OD2-N 3.16Å
73	E	91.2	Very high	89.1	Confident	46 Å²	46	56.6 Å²	56.6	22%	0.215	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	171.7	173.6	-57.7	-173.4	126.3	0	0	109.3	K32 L33 M63 D71	K32-E73 HydrophobicContact CB-CB 3.88Å; K32-E73 HydrophobicContact CD-CB 3.89Å; K32-E73 VanDerWaalsContact CD-OE2 3.27Å; K32-E73 WeakPolarHBondContact CD-OE2 3.3Å; L33-E73 CarbonylContact O-C 3.52Å; L33-E73 WeakPolarHBondContact O-CA 3.34Å; M63-E73 VanDerWaalsContact CE-CA 3.42Å; D71-E73 VanDerWaalsContact C-N 3.31Å; D71-E73 WeakPolarHBondContact OD1-CA 3.27Å; D71-E73 WeakPolarHBondContact OD1-CB 2.92Å; D71-E73 PolarHBondContact OD1-N 3.1Å
74	V	92.4	Very high	89.2	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	115.1	177.2	173.5	0	0	0	0	108.7	K32 L33 L38 M63 L66 E78 F79	K32-V74 CarbonylContact C-O 3.54Å; K32-V74 VanDerWaalsContact CA-O 3.32Å; K32-V74 WeakPolarHBondContact CA-O 3.38Å; L33-V74 HydrophobicContact CB-CB 4.28Å; L33-V74 PolarHBondContact N-O 3.36Å; L33-V74 PolarHBondContact O-N 2.72Å; L38-V74 HydrophobicContact CD2-CG2 4.12Å; M63-V74 HydrophobicContact CE-CG2 3.83Å; M63-V74 HydrophobicContact SD-CG2 3.83Å; L66-V74 HydrophobicContact CB-CG2 4.12Å; V74-E78 WeakPolarHBondContact CA-OE2 3.29Å; V74-E78 HydrophobicContact CG1-CB 3.76Å; V74-F79 HydrophobicContact CG1-CB 4.23Å
75	D	93.9	Very high	89.1	Confident	44 Å²	44	56.3 Å²	56.3	24%	0.235	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	175.2	175.2	77.6	32	0	0	0	112.5	K32 Q77 E78 F79	K32-D75 HydrophobicContact CG-CB 4.19Å; D75-Q77 VanDerWaalsContact C-N 3.27Å; D75-Q77 PolarHBondContact O-N 3.49Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.35Å; D75-Q77 VanDerWaalsContact OD1-CB 3.26Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.37Å; D75-Q77 PolarHBondContact OD1-N 2.92Å; D75-E78 PolarHBondContact N-OE2 3.23Å; D75-E78 PolarHBondContact O-N 3.38Å; D75-E78 PolarHBondContact OD1-N 3.18Å; D75-F79 WeakPolarHBondContact O-CB 3.28Å; D75-F79 PolarHBondContact O-N 3.48Å
76	F	92.7	Very high	88.9	Confident	68 Å²	68	56 Å²	56	30%	0.298	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-32.9	-177.7	-174.4	-106	0	0	0	113.1	I17 F20 F79 V80	I17-F76 HydrophobicContact CG1-CE1 4.44Å; I17-F76 HydrophobicContact CG1-CE2 4.05Å; I17-F76 HydrophobicContact CG1-CZ 3.6Å; F20-F76 HydrophobicContact CB-CD2 3.85Å; F20-F76 HydrophobicContact CB-CE2 3.96Å; F20-F76 HydrophobicContact CD1-CB 4.44Å; F20-F76 AromaticContact CD1-CD2 3.75Å; F20-F76 HydrophobicContact CD1-CD2 3.75Å; F20-F76 AromaticContact CD2-CD2 3.91Å; F20-F76 HydrophobicContact CD2-CD2 3.91Å; F20-F76 HydrophobicContact CE1-CB 4.09Å; F20-F76 HydrophobicContact CE1-CD2 4.24Å; F20-F76 HydrophobicContact CE2-CB 4.36Å; F20-F76 HydrophobicContact CE2-CD2 4.38Å; F20-F76 AromaticContact CG-CD2 3.56Å; F20-F76 HydrophobicContact CG-CD2 3.56Å; F20-F76 HydrophobicContact CG-CE2 4.19Å; F20-F76 HydrophobicContact CZ-CB 4.04Å; F76-F79 HydrophobicContact CD2-CD1 4.13Å; F76-F79 HydrophobicContact CE2-CD1 4.06Å; F76-F79 HydrophobicContact CE2-CE1 4.35Å; F76-V80 HydrophobicContact CD1-CG2 4.16Å; F76-V80 HydrophobicContact CE1-CG2 3.69Å; F76-V80 HydrophobicContact CE2-CG2 4.22Å; F76-V80 HydrophobicContact CZ-CG2 3.72Å; F76-V80 VanDerWaalsContact O-CG2 3.31Å; F76-V80 WeakPolarHBondContact O-CG2 3.39Å; F76-V80 PolarHBondContact O-N 2.86Å
77	Q	92.6	Very high	88.8	Confident	141 Å²	141	59.2 Å²	59.2	66%	0.659	33%	0.333	S	S	*	.	H	α-helix	trans	-68.3	-47.7	178.7	-174.3	-175.9	-83.1	0	0	110.1	D75 F79 V80 V81	D75-Q77 VanDerWaalsContact C-N 3.27Å; D75-Q77 PolarHBondContact O-N 3.49Å; D75-Q77 WeakPolarHBondContact OD1-CA 3.35Å; D75-Q77 VanDerWaalsContact OD1-CB 3.26Å; D75-Q77 WeakPolarHBondContact OD1-CB 3.37Å; D75-Q77 PolarHBondContact OD1-N 2.92Å; Q77-F79 VanDerWaalsContact C-N 3.3Å; Q77-F79 PolarHBondContact O-N 2.65Å; Q77-V80 PolarHBondContact O-N 3.22Å; Q77-V80 VanDerWaalsContact O-N 3.14Å; Q77-V81 WeakPolarHBondContact O-CG2 3.36Å; Q77-V81 PolarHBondContact O-N 3.15Å
78	E	92.4	Very high	88.6	Confident	6 Å²	6	62.1 Å²	62.1	3%	0.028	35%	0.351	C	S	.	.	H	α-helix	trans	-60.6	-39.8	176.8	-67.1	169.2	150.6	0	0	111.3	L66 D68 N69 V74 D75 V81 L82	L66-E78 WeakPolarHBondContact O-CB 3.45Å; L66-E78 VanDerWaalsContact O-CD 3.29Å; L66-E78 WeakPolarHBondContact O-CG 3.3Å; D68-E78 PolarHBondContact N-OE1 3.45Å; N69-E78 PolarHBondContact N-OE1 2.89Å; V74-E78 WeakPolarHBondContact CA-OE2 3.29Å; V74-E78 HydrophobicContact CG1-CB 3.76Å; D75-E78 PolarHBondContact N-OE2 3.23Å; D75-E78 PolarHBondContact O-N 3.38Å; D75-E78 PolarHBondContact OD1-N 3.18Å; E78-V81 PolarHBondContact O-N 3.44Å; E78-L82 PolarHBondContact O-N 3.25Å; E78-L82 VanDerWaalsContact O-N 3.12Å
79	F	91	Very high	87.9	Confident	5 Å²	5	58.8 Å²	58.8	2%	0.022	34%	0.34	C	S	.	.	H	α-helix	trans	-61.5	-43.6	171.7	168.6	-102	0	0	0	113.3	L16 V19 F20 L33 M41 V74 D75 F76 Q77 V81 L82 V83	L16-F79 HydrophobicContact CD2-CE1 4.5Å; V19-F79 HydrophobicContact CG1-CZ 4.47Å; F20-F79 HydrophobicContact CB-CD1 4.13Å; F20-F79 HydrophobicContact CB-CE1 4.05Å; F20-F79 HydrophobicContact CD2-CB 3.65Å; F20-F79 AromaticContact CD2-CD1 3.68Å; F20-F79 HydrophobicContact CD2-CD1 3.68Å; F20-F79 HydrophobicContact CD2-CD2 4.1Å; F20-F79 HydrophobicContact CD2-CE1 4.35Å; F20-F79 AromaticContact CD2-CG 3.53Å; F20-F79 HydrophobicContact CD2-CG 3.53Å; F20-F79 HydrophobicContact CE2-CB 3.71Å; F20-F79 HydrophobicContact CE2-CG 4.12Å; F20-F79 HydrophobicContact CG-CD1 4.29Å; L33-F79 HydrophobicContact CD1-CD2 4.41Å; M41-F79 HydrophobicContact CE-CD2 4.17Å; M41-F79 HydrophobicContact CE-CE2 3.83Å; M41-F79 HydrophobicContact SD-CD2 4Å; M41-F79 HydrophobicContact SD-CE2 3.47Å; M41-F79 WeakPolarHBondContact SD-CE2 3.28Å; M41-F79 HydrophobicContact SD-CZ 4.41Å; V74-F79 HydrophobicContact CG1-CB 4.23Å; D75-F79 WeakPolarHBondContact O-CB 3.28Å; D75-F79 PolarHBondContact O-N 3.48Å; F76-F79 HydrophobicContact CD2-CD1 4.13Å; F76-F79 HydrophobicContact CE2-CD1 4.06Å; F76-F79 HydrophobicContact CE2-CE1 4.35Å; Q77-F79 VanDerWaalsContact C-N 3.3Å; Q77-F79 PolarHBondContact O-N 2.65Å; F79-V81 VanDerWaalsContact C-N 3.29Å; F79-V81 PolarHBondContact O-N 2.92Å; F79-L82 WeakPolarHBondContact O-CB 3.42Å; F79-L82 PolarHBondContact O-N 2.9Å; F79-V83 HydrophobicContact CD2-CG2 4.27Å; F79-V83 HydrophobicContact CE1-CG2 4.02Å; F79-V83 HydrophobicContact CE2-CG2 3.72Å; F79-V83 HydrophobicContact CZ-CG2 3.59Å; F79-V83 WeakPolarHBondContact O-CG2 3.45Å; F79-V83 PolarHBondContact O-N 3.49Å
80	V	91.6	Very high	87	Confident	59 Å²	59	56.6 Å²	56.6	36%	0.358	33%	0.331	S	S	.	.	H	α-helix	trans	-65.1	-36.7	178.6	169.4	0	0	0	0	111	F76 Q77 V83 A84	F76-V80 HydrophobicContact CD1-CG2 4.16Å; F76-V80 HydrophobicContact CE1-CG2 3.69Å; F76-V80 HydrophobicContact CE2-CG2 4.22Å; F76-V80 HydrophobicContact CZ-CG2 3.72Å; F76-V80 VanDerWaalsContact O-CG2 3.31Å; F76-V80 WeakPolarHBondContact O-CG2 3.39Å; F76-V80 PolarHBondContact O-N 2.86Å; Q77-V80 PolarHBondContact O-N 3.22Å; Q77-V80 VanDerWaalsContact O-N 3.14Å; V80-V83 PolarHBondContact O-N 3.09Å; V80-A84 WeakPolarHBondContact O-CB 3.35Å; V80-A84 PolarHBondContact O-N 3.44Å
81	V	89	Confident	86.3	Confident	79 Å²	79	52.8 Å²	52.8	48%	0.479	32%	0.319	S	S	.	.	H	α-helix	trans	-61.2	-45	174.9	173.1	0	0	0	0	110.9	Q77 E78 F79 V83 A84 A85	Q77-V81 WeakPolarHBondContact O-CG2 3.36Å; Q77-V81 PolarHBondContact O-N 3.15Å; E78-V81 PolarHBondContact O-N 3.44Å; F79-V81 VanDerWaalsContact C-N 3.29Å; F79-V81 PolarHBondContact O-N 2.92Å; V81-V83 PolarHBondContact O-N 2.94Å; V81-A84 PolarHBondContact O-N 3.25Å; V81-A85 WeakPolarHBondContact O-CB 3.33Å; V81-A85 PolarHBondContact O-N 3.41Å
82	L	85.3	Confident	84.9	Confident	14 Å²	14	55.4 Å²	55.4	7%	0.073	33%	0.329	C	S	.	.	H	α-helix	trans	-54.4	-53.7	172.8	171.8	66.6	0	0	0	111.7	M41 F42 I62 L66 E78 F79 A84 A85 L86	M41-L82 HydrophobicContact CE-CD2 4.34Å; F42-L82 HydrophobicContact CE1-CD1 4.5Å; F42-L82 HydrophobicContact CE1-CD2 3.67Å; F42-L82 HydrophobicContact CZ-CD1 4.14Å; F42-L82 HydrophobicContact CZ-CD2 3.38Å; F42-L82 HydrophobicContact CZ-CG 4.35Å; I62-L82 HydrophobicContact CG2-CD1 4.19Å; L66-L82 HydrophobicContact CD1-CB 3.82Å; L66-L82 HydrophobicContact CD1-CD1 3.97Å; L66-L82 HydrophobicContact CD1-CD2 3.73Å; L66-L82 HydrophobicContact CD1-CG 4.01Å; L66-L82 HydrophobicContact CD2-CB 3.53Å; L66-L82 HydrophobicContact CD2-CD1 4.07Å; L66-L82 HydrophobicContact CD2-CG 4.31Å; L66-L82 HydrophobicContact CG-CB 4.3Å; L66-L82 HydrophobicContact CG-CD1 4.49Å; E78-L82 PolarHBondContact O-N 3.25Å; E78-L82 VanDerWaalsContact O-N 3.12Å; F79-L82 WeakPolarHBondContact O-CB 3.42Å; F79-L82 PolarHBondContact O-N 2.9Å; L82-A84 VanDerWaalsContact C-N 3.28Å; L82-A84 PolarHBondContact O-N 3.32Å; L82-A85 WeakPolarHBondContact O-CB 3.33Å; L82-A85 PolarHBondContact O-N 3.46Å; L82-A85 VanDerWaalsContact O-N 3.14Å; L82-L86 HydrophobicContact CD1-CD1 3.94Å; L82-L86 HydrophobicContact CD1-CG 4.08Å; L82-L86 HydrophobicContact CG-CD1 3.99Å; L82-L86 HydrophobicContact CG-CG 4.44Å; L82-L86 WeakPolarHBondContact O-CG 3.49Å; L82-L86 PolarHBondContact O-N 2.79Å
83	V	87.1	Confident	83.4	Confident	31 Å²	31	61.2 Å²	61.2	19%	0.188	34%	0.343	C	S	.	.	H	α-helix	trans	-64.1	-38.7	-175.2	175.2	0	0	0	0	110.5	L16 F79 V80 V81 L86 T87	L16-V83 HydrophobicContact CD2-CB 4.48Å; L16-V83 HydrophobicContact CD2-CG1 3.77Å; L16-V83 HydrophobicContact CD2-CG2 4.29Å; F79-V83 HydrophobicContact CD2-CG2 4.27Å; F79-V83 HydrophobicContact CE1-CG2 4.02Å; F79-V83 HydrophobicContact CE2-CG2 3.72Å; F79-V83 HydrophobicContact CZ-CG2 3.59Å; F79-V83 WeakPolarHBondContact O-CG2 3.45Å; F79-V83 PolarHBondContact O-N 3.49Å; V80-V83 PolarHBondContact O-N 3.09Å; V81-V83 PolarHBondContact O-N 2.94Å; V83-L86 PolarHBondContact O-N 3.43Å; V83-T87 VanDerWaalsContact O-CB 3.28Å; V83-T87 WeakPolarHBondContact O-CB 3.36Å; V83-T87 PolarHBondContact O-N 3.38Å; V83-T87 PolarHBondContact O-OG1 2.84Å
84	A	87.7	Confident	81.4	Confident	51 Å²	51	66 Å²	66	42%	0.421	36%	0.363	S	S	.	.	H	α-helix	trans	-61.5	-46.5	173.5	0	0	0	0	0	111.1	V80 V81 L82 L86 T87 V88	V80-A84 WeakPolarHBondContact O-CB 3.35Å; V80-A84 PolarHBondContact O-N 3.44Å; V81-A84 PolarHBondContact O-N 3.25Å; L82-A84 VanDerWaalsContact C-N 3.28Å; L82-A84 PolarHBondContact O-N 3.32Å; A84-L86 PolarHBondContact O-N 3.09Å; A84-T87 PolarHBondContact O-N 3.44Å; A84-V88 WeakPolarHBondContact O-CG2 3.45Å; A84-V88 PolarHBondContact O-N 3.44Å
85	A	83.6	Confident	79.4	Confident	59 Å²	59	68.6 Å²	68.6	49%	0.488	38%	0.379	S	S	.	.	H	α-helix	trans	-61.3	-44.6	177.8	0	0	0	0	0	112.1	V81 L82 V88 A89	V81-A85 WeakPolarHBondContact O-CB 3.33Å; V81-A85 PolarHBondContact O-N 3.41Å; L82-A85 WeakPolarHBondContact O-CB 3.33Å; L82-A85 PolarHBondContact O-N 3.46Å; L82-A85 VanDerWaalsContact O-N 3.14Å; A85-V88 PolarHBondContact O-N 2.81Å; A85-A89 WeakPolarHBondContact O-CB 3.44Å; A85-A89 PolarHBondContact O-N 3.38Å
86	L	80	Confident	77.1	Confident	47 Å²	47	70.7 Å²	70.7	25%	0.246	39%	0.39	C	S	.	.	H	α-helix	trans	-62.2	-43.3	174.1	-70.8	174.3	0	0	0	111.3	L46 L82 V83 A84 V88 A89 C90	L46-L86 HydrophobicContact CD1-CD1 3.82Å; L82-L86 HydrophobicContact CD1-CD1 3.94Å; L82-L86 HydrophobicContact CD1-CG 4.08Å; L82-L86 HydrophobicContact CG-CD1 3.99Å; L82-L86 HydrophobicContact CG-CG 4.44Å; L82-L86 WeakPolarHBondContact O-CG 3.49Å; L82-L86 PolarHBondContact O-N 2.79Å; V83-L86 PolarHBondContact O-N 3.43Å; A84-L86 PolarHBondContact O-N 3.09Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.04Å; L86-A89 PolarHBondContact O-N 2.75Å; L86-C90 WeakPolarHBondContact O-CB 3.43Å; L86-C90 PolarHBondContact O-N 2.79Å; L86-C90 PolarHBondContact O-SG 2.95Å
87	T	84.4	Confident	75	Confident	86 Å²	86	70.7 Å²	70.7	53%	0.528	40%	0.398	S	S	.	.	H	α-helix	trans	-62	-41.6	178	-58.5	0	0	0	0	111.1	V83 A84 N91	V83-T87 VanDerWaalsContact O-CB 3.28Å; V83-T87 WeakPolarHBondContact O-CB 3.36Å; V83-T87 PolarHBondContact O-N 3.38Å; V83-T87 PolarHBondContact O-OG1 2.84Å; A84-T87 PolarHBondContact O-N 3.44Å; T87-N91 WeakPolarHBondContact O-CB 3.18Å; T87-N91 PolarHBondContact O-N 3.02Å
88	V	82.7	Confident	72.8	Confident	80 Å²	80	70 Å²	70	49%	0.485	40%	0.398	S	S	.	.	H	α-helix	trans	-65.7	-45.9	175	172.5	0	0	0	0	110.8	A84 A85 L86 C90 N91 E92	A84-V88 WeakPolarHBondContact O-CG2 3.45Å; A84-V88 PolarHBondContact O-N 3.44Å; A85-V88 PolarHBondContact O-N 2.81Å; L86-V88 VanDerWaalsContact C-N 3.32Å; L86-V88 PolarHBondContact O-N 3.04Å; V88-C90 VanDerWaalsContact C-N 3.34Å; V88-C90 PolarHBondContact O-N 3.45Å; V88-N91 CarbonylContact O-C 3.53Å; V88-N91 WeakPolarHBondContact O-CA 3.26Å; V88-N91 WeakPolarHBondContact O-CB 3.25Å; V88-N91 PolarHBondContact O-N 2.8Å; V88-N91 VanDerWaalsContact O-N 3.09Å; V88-E92 HydrophobicContact CG1-CG 4.46Å; V88-E92 PolarHBondContact O-N 3.1Å
89	A	73.9	Confident	70.7	Confident	53 Å²	53	76 Å²	76	44%	0.438	42%	0.424	S	S	.	.	H	α-helix	trans	-60.9	-42.5	177.5	0	0	0	0	0	111.8	A85 L86 E92 F93	A85-A89 WeakPolarHBondContact O-CB 3.44Å; A85-A89 PolarHBondContact O-N 3.38Å; L86-A89 PolarHBondContact O-N 2.75Å; A89-E92 PolarHBondContact O-N 2.88Å; A89-F93 VanDerWaalsContact O-CB 3.29Å; A89-F93 WeakPolarHBondContact O-CB 3.2Å; A89-F93 PolarHBondContact O-N 2.84Å
90	C	70.4	Confident	68.7	Low	34 Å²	34	83.4 Å²	83.4	23%	0.23	46%	0.459	C	S	.	.	H	α-helix	trans	-61.1	-45.6	171.1	-67.9	0	0	0	0	111.4	F49 L86 V88 E92 F93 F94	F49-C90 WeakPolarHBondContact CE1-SG 3.29Å; F49-C90 WeakPolarHBondContact CZ-SG 3.38Å; L86-C90 WeakPolarHBondContact O-CB 3.43Å; L86-C90 PolarHBondContact O-N 2.79Å; L86-C90 PolarHBondContact O-SG 2.95Å; V88-C90 VanDerWaalsContact C-N 3.34Å; V88-C90 PolarHBondContact O-N 3.45Å; C90-E92 PolarHBondContact O-N 2.83Å; C90-F93 PolarHBondContact O-N 3.12Å; C90-F94 WeakPolarHBondContact O-CB 3.39Å; C90-F94 VanDerWaalsContact O-CD2 3.3Å; C90-F94 WeakPolarHBondContact O-CD2 3.5Å; C90-F94 PolarHBondContact O-N 3.39Å
91	N	73	Confident	66.7	Low	99 Å²	99	87.2 Å²	87.2	53%	0.529	48%	0.477	S	S	.	.	H	α-helix	trans	-62.8	-42.4	179.9	-177	74.5	0	0	0	111.2	T87 V88 F94 V95	T87-N91 WeakPolarHBondContact O-CB 3.18Å; T87-N91 PolarHBondContact O-N 3.02Å; V88-N91 CarbonylContact O-C 3.53Å; V88-N91 WeakPolarHBondContact O-CA 3.26Å; V88-N91 WeakPolarHBondContact O-CB 3.25Å; V88-N91 PolarHBondContact O-N 2.8Å; V88-N91 VanDerWaalsContact O-N 3.09Å; N91-F94 PolarHBondContact O-N 2.81Å; N91-V95 VanDerWaalsContact O-CB 3.25Å; N91-V95 WeakPolarHBondContact O-CB 3.3Å; N91-V95 WeakPolarHBondContact O-CG2 3.34Å; N91-V95 PolarHBondContact O-N 3.45Å
92	E	60.2	Low	64.9	Low	120 Å²	120	93 Å²	93	56%	0.561	50%	0.496	S	S	*	.	H	α-helix	trans	-65.5	-43.4	173.9	-71.8	-170.6	146.7	0	0	112	V88 A89 C90 F94 V95 D96	V88-E92 HydrophobicContact CG1-CG 4.46Å; V88-E92 PolarHBondContact O-N 3.1Å; A89-E92 PolarHBondContact O-N 2.88Å; C90-E92 PolarHBondContact O-N 2.83Å; E92-F94 VanDerWaalsContact C-N 3.31Å; E92-F94 PolarHBondContact O-N 2.92Å; E92-V95 PolarHBondContact O-N 3.11Å; E92-V95 VanDerWaalsContact O-N 3.12Å; E92-D96 PolarHBondContact O-N 2.84Å
93	F	55.8	Low	63.3	Low	163 Å²	163	95.3 Å²	95.3	72%	0.715	52%	0.523	S	S	*	.	H	α-helix	trans	-60.4	-40.6	175.8	-163.1	-93.5	0	0	0	112	A89 C90 C97	A89-F93 VanDerWaalsContact O-CB 3.29Å; A89-F93 WeakPolarHBondContact O-CB 3.2Å; A89-F93 PolarHBondContact O-N 2.84Å; C90-F93 PolarHBondContact O-N 3.12Å; F93-C97 WeakPolarHBondContact O-CB 3.07Å; F93-C97 PolarHBondContact O-N 3.14Å; F93-C97 VanDerWaalsContact O-N 3.11Å
94	F	49.6	Very low	61.2	Low	146 Å²	146	99.8 Å²	99.8	64%	0.64	56%	0.556	S	S	*	*	H	α-helix	trans	-71.3	-35.9	173.1	-91.2	-82.1	0	0	0	112.6	C90 N91 E92 L98	C90-F94 WeakPolarHBondContact O-CB 3.39Å; C90-F94 VanDerWaalsContact O-CD2 3.3Å; C90-F94 WeakPolarHBondContact O-CD2 3.5Å; C90-F94 PolarHBondContact O-N 3.39Å; N91-F94 PolarHBondContact O-N 2.81Å; E92-F94 VanDerWaalsContact C-N 3.31Å; E92-F94 PolarHBondContact O-N 2.92Å; F94-L98 WeakPolarHBondContact O-CB 3.42Å; F94-L98 VanDerWaalsContact O-CG 3.24Å; F94-L98 WeakPolarHBondContact O-CG 3.49Å; F94-L98 PolarHBondContact O-N 3.29Å
95	V	50.3	Low	59	Low	56 Å²	56	106.4 Å²	106.4	34%	0.339	60%	0.599	S	S	.	*	H	α-helix	trans	-67.6	-36.9	177	164.5	0	0	0	0	111.4	N91 E92 L98 K99	N91-V95 VanDerWaalsContact O-CB 3.25Å; N91-V95 WeakPolarHBondContact O-CB 3.3Å; N91-V95 WeakPolarHBondContact O-CG2 3.34Å; N91-V95 PolarHBondContact O-N 3.45Å; E92-V95 PolarHBondContact O-N 3.11Å; E92-V95 VanDerWaalsContact O-N 3.12Å; V95-L98 PolarHBondContact O-N 3.24Å; V95-K99 WeakPolarHBondContact O-CG 3.24Å; V95-K99 PolarHBondContact O-N 3.4Å
96	D	46.8	Very low	57.8	Low	88 Å²	88	108.8 Å²	108.8	47%	0.471	60%	0.604	S	S	.	*	H	α-helix	trans	-77.1	-35.2	177.2	-75.4	-15.1	0	0	0	112.2	E92 L98 K99 E100	E92-D96 PolarHBondContact O-N 2.84Å; D96-L98 VanDerWaalsContact C-N 3.26Å; D96-L98 PolarHBondContact O-N 3.36Å; D96-K99 PolarHBondContact O-N 3.06Å; D96-K99 IonicContact OD1-NZ 2.82Å; D96-K99 PolarHBondContact OD1-NZ 3.5Å; D96-E100 PolarHBondContact O-N 3.06Å
97	C	47.1	Very low	56.6	Low	68 Å²	68	112.1 Å²	112.1	46%	0.459	62%	0.623	S	S	.	*	H	α-helix	trans	-64.6	-29.2	171	-160.2	0	0	0	0	112.8	F93	F93-C97 WeakPolarHBondContact O-CB 3.07Å; F93-C97 PolarHBondContact O-N 3.14Å; F93-C97 VanDerWaalsContact O-N 3.11Å
98	L	47.9	Very low	55.1	Low	126 Å²	126	113.5 Å²	113.5	66%	0.66	63%	0.629	S	S	*	*	H	α-helix	trans	-75.4	-23.4	172.1	-73.6	169.9	0	0	0	113.5	F94 V95 D96	F94-L98 WeakPolarHBondContact O-CB 3.42Å; F94-L98 VanDerWaalsContact O-CG 3.24Å; F94-L98 WeakPolarHBondContact O-CG 3.49Å; F94-L98 PolarHBondContact O-N 3.29Å; V95-L98 PolarHBondContact O-N 3.24Å; D96-L98 VanDerWaalsContact C-N 3.26Å; D96-L98 PolarHBondContact O-N 3.36Å
99	K	48.2	Very low	53.4	Low	131 Å²	131	115.5 Å²	115.5	57%	0.57	64%	0.637	S	S	*	*	H	α-helix	trans	-77.9	-32.1	175	-70.8	172.4	-163.7	154.8	0	112.2	V95 D96 N101 K102	V95-K99 WeakPolarHBondContact O-CG 3.24Å; V95-K99 PolarHBondContact O-N 3.4Å; D96-K99 PolarHBondContact O-N 3.06Å; D96-K99 IonicContact OD1-NZ 2.82Å; D96-K99 PolarHBondContact OD1-NZ 3.5Å; K99-N101 VanDerWaalsContact C-N 3.3Å; K99-N101 PolarHBondContact O-N 3.28Å; K99-K102 PolarHBondContact O-N 3.34Å
100	E	48	Very low	52.2	Low	161 Å²	161	119.4 Å²	119.4	75%	0.752	65%	0.65	S	S	*	*	H	α-helix	trans	-70.4	-21.3	177.2	-73.8	-166.4	127.8	0	0	113.7	D96 K102	D96-E100 PolarHBondContact O-N 3.06Å; E100-K102 VanDerWaalsContact C-N 3.29Å; E100-K102 PolarHBondContact O-N 3.35Å
101	N	50.8	Low	51	Low	139 Å²	139	125.1 Å²	125.1	74%	0.743	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	5.6	175.1	-89.3	-62.8	0	0	0	115.2	K99	K99-N101 VanDerWaalsContact C-N 3.3Å; K99-N101 PolarHBondContact O-N 3.28Å
102	K	51.2	Low	49.4	Very low	201 Å²	201	126.9 Å²	126.9	87%	0.874	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	27.8	170.7	-75.1	-160.6	176.4	179.5	0	113.6	K99 E100	K99-K102 PolarHBondContact O-N 3.34Å; E100-K102 VanDerWaalsContact C-N 3.29Å; E100-K102 PolarHBondContact O-N 3.35Å
103	G	51.7	Low	48.5	Very low	62 Å²	62	127.5 Å²	127.5	64%	0.639	70%	0.698	S	S	*	*			trans	-136.2	29.1	-177	0	0	0	0	0	115.6
104	S	42.6	Very low	47.9	Very low	126 Å²	126	124.5 Å²	124.5	88%	0.881	70%	0.696	S	S	*	*			trans	-107.5	87.5	160.3	-73.8	0	0	0	0	108.1
105	S	41.3	Very low	47.8	Very low	190 Å²	190	122.5 Å²	122.5	100%	1.329	70%	0.702	S	S	*	*			trans	-71.5	0	160.9	-171.2	0	0	0	0	110.8

Retrieved 105 of 105 residues in 162.2 ms (Link to these results)

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