A0A087XWS7_POEFO Loading...

S100 calcium binding protein P

AlphaFold DB , UniProt , Accession A0A087XWS7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 95 aa.

						>A0A087XWS7_POEFO|A0A087XWS7
PAAIMSHLEMAMATLIQTFDQYAGSDGKKSTLSKAEVKTLVEKELPGLLKGAKNPDEVDKFLKNLDLNRDSEVDFQEFVMLIVVLTCAIHGRFCK
					

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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	P	46.7	Very low	80.6	Confident	178 Å²	178	112.6 Å²	112.6	100%	1.156	66%	0.663	S	S	*	*				0	113.5	0	4.9	17.2	0	0	0	109.9	A3	P1-A3 PolarHBondContact O-N 2.95Å
2	A	55.1	Low	81.7	Confident	99 Å²	99	112.3 Å²	112.3	82%	0.818	65%	0.653	S	S	*	*			trans	-63.8	124.8	168.7	0	0	0	0	0	107.4	I4	A2-I4 PolarHBondContact O-N 3.04Å
3	A	63.8	Low	82.6	Confident	91 Å²	91	105.7 Å²	105.7	75%	0.752	62%	0.619	S	S	*	*			trans	-57.8	128	177.5	0	0	0	0	0	109	P1 M5	P1-A3 PolarHBondContact O-N 2.95Å; A3-M5 PolarHBondContact O-N 3.09Å; A3-M5 VanDerWaalsContact O-N 3.12Å
4	I	76.6	Confident	83.5	Confident	168 Å²	168	103.7 Å²	103.7	86%	0.862	61%	0.609	S	S	*	*			trans	-74.1	103.5	171.4	-58.7	177.9	0	0	0	105.7	A2	A2-I4 PolarHBondContact O-N 3.04Å
5	M	85.6	Confident	84.2	Confident	102 Å²	102	99.9 Å²	99.9	50%	0.502	59%	0.585	S	S	.	*			trans	-64.9	138.4	172	-80.2	-175.9	-87.2	0	0	109.6	A3 E9 M10 A13	A3-M5 PolarHBondContact O-N 3.09Å; A3-M5 VanDerWaalsContact O-N 3.12Å; M5-E9 HydrophobicContact CB-CB 4.06Å; M5-E9 HydrophobicContact CG-CB 4.2Å; M5-E9 HydrophobicContact SD-CB 4.47Å; M5-M10 HydrophobicContact CB-CG 3.7Å; M5-A13 HydrophobicContact SD-CB 4.48Å
6	S	93.8	Very high	84.8	Confident	56 Å²	56	98.4 Å²	98.4	39%	0.392	57%	0.572	S	S	.	*			trans	-65.3	161	168.8	67.6	0	0	0	0	110.9	L8 E9 M10	S6-L8 PolarHBondContact O-N 2.98Å; S6-E9 VanDerWaalsContact CB-OE2 3.28Å; S6-E9 WeakPolarHBondContact CB-OE2 3.47Å; S6-E9 PolarHBondContact N-OE2 3Å; S6-E9 PolarHBondContact O-N 3.3Å; S6-E9 VanDerWaalsContact O-N 3.11Å; S6-E9 VanDerWaalsContact OG-CD 3.27Å; S6-E9 VanDerWaalsContact OG-CG 3.31Å; S6-E9 WeakPolarHBondContact OG-CG 3.17Å; S6-E9 PolarHBondContact OG-N 3.36Å; S6-E9 PolarHBondContact OG-OE2 3.16Å; S6-M10 WeakPolarHBondContact O-CG 3.43Å; S6-M10 PolarHBondContact O-N 3.11Å
7	H	92.8	Very high	85.3	Confident	169 Å²	169	100.2 Å²	100.2	78%	0.782	58%	0.575	S	S	*	*	H	α-helix	trans	-56.3	-35.1	179.6	-65	90.7	0	0	0	113.2	A11	H7-A11 WeakPolarHBondContact O-CB 3.49Å; H7-A11 PolarHBondContact O-N 3.23Å
8	L	93.3	Very high	85.8	Confident	135 Å²	135	95.9 Å²	95.9	71%	0.707	55%	0.55	S	S	*	*	H	α-helix	trans	-72.8	-41.4	177.6	-67.3	178.3	0	0	0	111.8	S6 M10 A11 M12	S6-L8 PolarHBondContact O-N 2.98Å; L8-M10 VanDerWaalsContact C-N 3.31Å; L8-M10 PolarHBondContact O-N 3.02Å; L8-A11 PolarHBondContact O-N 2.99Å; L8-M12 WeakPolarHBondContact O-CG 3.35Å; L8-M12 PolarHBondContact O-N 2.83Å
9	E	92.3	Very high	86.3	Confident	93 Å²	93	91.1 Å²	91.1	44%	0.435	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-39.4	174.8	-70.5	163.7	139.4	0	0	111.5	M5 S6 M12 A13	M5-E9 HydrophobicContact CB-CB 4.06Å; M5-E9 HydrophobicContact CG-CB 4.2Å; M5-E9 HydrophobicContact SD-CB 4.47Å; S6-E9 VanDerWaalsContact CB-OE2 3.28Å; S6-E9 WeakPolarHBondContact CB-OE2 3.47Å; S6-E9 PolarHBondContact N-OE2 3Å; S6-E9 PolarHBondContact O-N 3.3Å; S6-E9 VanDerWaalsContact O-N 3.11Å; S6-E9 VanDerWaalsContact OG-CD 3.27Å; S6-E9 VanDerWaalsContact OG-CG 3.31Å; S6-E9 WeakPolarHBondContact OG-CG 3.17Å; S6-E9 PolarHBondContact OG-N 3.36Å; S6-E9 PolarHBondContact OG-OE2 3.16Å; E9-M12 HydrophobicContact CB-CE 4.41Å; E9-M12 HydrophobicContact CG-CE 4.02Å; E9-M12 PolarHBondContact O-N 3.18Å; E9-A13 WeakPolarHBondContact O-CB 3.01Å; E9-A13 PolarHBondContact O-N 2.79Å
10	M	93.4	Very high	86.6	Confident	99 Å²	99	91.5 Å²	91.5	49%	0.488	52%	0.522	S	S	.	.	H	α-helix	trans	-61.5	-45.3	172.4	-70.4	178.6	62.1	0	0	111.6	M5 S6 L8 M12 A13 T14	M5-M10 HydrophobicContact CB-CG 3.7Å; S6-M10 WeakPolarHBondContact O-CG 3.43Å; S6-M10 PolarHBondContact O-N 3.11Å; L8-M10 VanDerWaalsContact C-N 3.31Å; L8-M10 PolarHBondContact O-N 3.02Å; M10-M12 PolarHBondContact O-N 2.84Å; M10-A13 PolarHBondContact O-N 2.71Å; M10-T14 PolarHBondContact O-N 3.24Å; M10-T14 PolarHBondContact O-OG1 3.42Å
11	A	93.1	Very high	86.9	Confident	49 Å²	49	93.1 Å²	93.1	41%	0.405	53%	0.526	S	S	.	.	H	α-helix	trans	-61.8	-44.2	177.8	0	0	0	0	0	111.8	H7 L8 T14 L15	H7-A11 WeakPolarHBondContact O-CB 3.49Å; H7-A11 PolarHBondContact O-N 3.23Å; L8-A11 PolarHBondContact O-N 2.99Å; A11-T14 PolarHBondContact O-N 3.5Å; A11-L15 WeakPolarHBondContact O-CG 3.29Å; A11-L15 PolarHBondContact O-N 3.39Å
12	M	93.8	Very high	89.1	Confident	109 Å²	109	85.2 Å²	85.2	54%	0.537	47%	0.473	S	S	.	.	H	α-helix	trans	-60.8	-45.1	174.4	-69.9	-174.2	-66	0	0	111.6	L8 E9 M10 T14 L15 I16	L8-M12 WeakPolarHBondContact O-CG 3.35Å; L8-M12 PolarHBondContact O-N 2.83Å; E9-M12 HydrophobicContact CB-CE 4.41Å; E9-M12 HydrophobicContact CG-CE 4.02Å; E9-M12 PolarHBondContact O-N 3.18Å; M10-M12 PolarHBondContact O-N 2.84Å; M12-T14 VanDerWaalsContact C-N 3.31Å; M12-T14 PolarHBondContact O-N 3.13Å; M12-L15 PolarHBondContact O-N 3.42Å; M12-I16 WeakPolarHBondContact O-CG1 3.33Å; M12-I16 PolarHBondContact O-N 2.99Å
13	A	93.8	Very high	90.8	Very high	26 Å²	26	81 Å²	81	22%	0.215	44%	0.438	C	S	.	.	H	α-helix	trans	-61.1	-39.7	176.7	0	0	0	0	0	111.9	M5 E9 M10 I16 Q17	M5-A13 HydrophobicContact SD-CB 4.48Å; E9-A13 WeakPolarHBondContact O-CB 3.01Å; E9-A13 PolarHBondContact O-N 2.79Å; M10-A13 PolarHBondContact O-N 2.71Å; A13-I16 PolarHBondContact O-N 3.45Å; A13-Q17 WeakPolarHBondContact O-CB 2.78Å; A13-Q17 VanDerWaalsContact O-CG 3.26Å; A13-Q17 WeakPolarHBondContact O-CG 2.88Å; A13-Q17 PolarHBondContact O-N 2.99Å
14	T	94.7	Very high	91.9	Very high	78 Å²	78	77.6 Å²	77.6	48%	0.479	41%	0.412	S	S	.	.	H	α-helix	trans	-61.6	-45.6	174.2	-58.7	0	0	0	0	111.3	M10 A11 M12 I16 Q17 T18	M10-T14 PolarHBondContact O-N 3.24Å; M10-T14 PolarHBondContact O-OG1 3.42Å; A11-T14 PolarHBondContact O-N 3.5Å; M12-T14 VanDerWaalsContact C-N 3.31Å; M12-T14 PolarHBondContact O-N 3.13Å; T14-I16 VanDerWaalsContact C-N 3.34Å; T14-I16 PolarHBondContact O-N 3.05Å; T14-Q17 PolarHBondContact O-N 3.09Å; T14-T18 WeakPolarHBondContact O-CB 3.48Å; T14-T18 PolarHBondContact O-N 3.26Å; T14-T18 PolarHBondContact O-OG1 2.95Å
15	L	94.4	Very high	92	Very high	46 Å²	46	74.5 Å²	74.5	24%	0.241	41%	0.405	C	S	.	.	H	α-helix	trans	-59.6	-44.5	177.5	-66.1	176.2	0	0	0	112.3	A11 M12 F19 F78 I82	A11-L15 WeakPolarHBondContact O-CG 3.29Å; A11-L15 PolarHBondContact O-N 3.39Å; M12-L15 PolarHBondContact O-N 3.42Å; L15-F19 WeakPolarHBondContact O-CB 3.49Å; L15-F19 PolarHBondContact O-N 3.41Å; L15-F78 HydrophobicContact CB-CE1 4.31Å; L15-F78 HydrophobicContact CD2-CE1 4.3Å; L15-F78 HydrophobicContact CD2-CZ 4.45Å; L15-F78 WeakPolarHBondContact O-CE1 3.24Å; L15-I82 HydrophobicContact CD2-CB 4.46Å; L15-I82 HydrophobicContact CD2-CG1 4.09Å; L15-I82 HydrophobicContact CD2-CG2 4.02Å
16	I	94	Very high	91.8	Very high	76 Å²	76	73.4 Å²	73.4	39%	0.39	40%	0.402	S	S	.	.	H	α-helix	trans	-61.7	-51.8	177.7	-65.4	163.8	0	0	0	110.2	M12 A13 T14 T18 F19 D20 F75	M12-I16 WeakPolarHBondContact O-CG1 3.33Å; M12-I16 PolarHBondContact O-N 2.99Å; A13-I16 PolarHBondContact O-N 3.45Å; T14-I16 VanDerWaalsContact C-N 3.34Å; T14-I16 PolarHBondContact O-N 3.05Å; I16-T18 VanDerWaalsContact C-N 3.34Å; I16-T18 PolarHBondContact O-N 2.83Å; I16-F19 PolarHBondContact O-N 3.42Å; I16-D20 WeakPolarHBondContact O-CB 3.48Å; I16-D20 PolarHBondContact O-N 3.03Å; I16-F75 HydrophobicContact CB-CZ 4.49Å; I16-F75 HydrophobicContact CG1-CE1 4.34Å; I16-F75 HydrophobicContact CG1-CE2 4.13Å; I16-F75 HydrophobicContact CG1-CZ 3.6Å
17	Q	93.9	Very high	91.2	Very high	130 Å²	130	73.8 Å²	73.8	61%	0.607	41%	0.414	S	S	*	.	H	α-helix	trans	-62.5	-40.5	-178.3	-73.9	175.9	-9.5	0	0	112.5	A13 T14 Q21	A13-Q17 WeakPolarHBondContact O-CB 2.78Å; A13-Q17 VanDerWaalsContact O-CG 3.26Å; A13-Q17 WeakPolarHBondContact O-CG 2.88Å; A13-Q17 PolarHBondContact O-N 2.99Å; T14-Q17 PolarHBondContact O-N 3.09Å; Q17-Q21 VanDerWaalsContact O-CB 3.24Å; Q17-Q21 WeakPolarHBondContact O-CB 3.34Å; Q17-Q21 PolarHBondContact O-N 3.1Å
18	T	94.3	Very high	90.9	Very high	22 Å²	22	70.6 Å²	70.6	14%	0.135	40%	0.398	C	S	.	.	H	α-helix	trans	-62.4	-46.8	175.5	-63.6	0	0	0	0	110.5	T14 I16 Q21 Y22 E44 F78	T14-T18 WeakPolarHBondContact O-CB 3.48Å; T14-T18 PolarHBondContact O-N 3.26Å; T14-T18 PolarHBondContact O-OG1 2.95Å; I16-T18 VanDerWaalsContact C-N 3.34Å; I16-T18 PolarHBondContact O-N 2.83Å; T18-Q21 PolarHBondContact O-N 3.42Å; T18-Y22 HydrophobicContact CG2-CD2 4.19Å; T18-Y22 HydrophobicContact CG2-CE2 4Å; T18-Y22 WeakPolarHBondContact O-CD2 3.41Å; T18-Y22 PolarHBondContact O-N 3.11Å; T18-E44 HydrophobicContact CG2-CG 3.84Å; T18-F78 HydrophobicContact CG2-CZ 4.42Å
19	F	93.8	Very high	90.5	Very high	5 Å²	5	72.2 Å²	72.2	2%	0.022	40%	0.399	C	S	.	.	H	α-helix	trans	-59.1	-52.2	176.9	-177.4	-90.4	0	0	0	111.6	L15 I16 Q21 Y22 A23 L32 F75 F78	L15-F19 WeakPolarHBondContact O-CB 3.49Å; L15-F19 PolarHBondContact O-N 3.41Å; I16-F19 PolarHBondContact O-N 3.42Å; F19-Q21 PolarHBondContact O-N 3.19Å; F19-Y22 PolarHBondContact O-N 3.03Å; F19-A23 HydrophobicContact CD1-CB 4.1Å; F19-A23 HydrophobicContact CE1-CB 3.83Å; F19-A23 HydrophobicContact CZ-CB 4.35Å; F19-A23 WeakPolarHBondContact O-CB 3.25Å; F19-A23 PolarHBondContact O-N 3.11Å; F19-L32 HydrophobicContact CD2-CD1 3.65Å; F19-L32 HydrophobicContact CD2-CG 4.11Å; F19-L32 HydrophobicContact CE2-CD1 3.53Å; F19-L32 HydrophobicContact CE2-CG 3.69Å; F19-L32 HydrophobicContact CZ-CD1 4.47Å; F19-L32 HydrophobicContact CZ-CG 4.15Å; F19-F75 HydrophobicContact CB-CD2 3.75Å; F19-F75 HydrophobicContact CB-CE2 3.95Å; F19-F75 HydrophobicContact CD1-CB 4.45Å; F19-F75 AromaticContact CD1-CD2 3.91Å; F19-F75 HydrophobicContact CD1-CD2 3.91Å; F19-F75 AromaticContact CD2-CD2 3.9Å; F19-F75 HydrophobicContact CD2-CD2 3.9Å; F19-F75 HydrophobicContact CE1-CB 4.2Å; F19-F75 HydrophobicContact CE1-CD2 4.49Å; F19-F75 HydrophobicContact CE2-CB 4.28Å; F19-F75 HydrophobicContact CE2-CD2 4.46Å; F19-F75 AromaticContact CG-CD2 3.59Å; F19-F75 HydrophobicContact CG-CD2 3.59Å; F19-F75 HydrophobicContact CG-CE2 4.3Å; F19-F75 HydrophobicContact CZ-CB 4.11Å; F19-F78 HydrophobicContact CB-CD1 4.08Å; F19-F78 HydrophobicContact CB-CE1 4.09Å; F19-F78 HydrophobicContact CD2-CB 3.76Å; F19-F78 AromaticContact CD2-CD1 3.81Å; F19-F78 HydrophobicContact CD2-CD1 3.81Å; F19-F78 HydrophobicContact CD2-CD2 4.43Å; F19-F78 AromaticContact CD2-CG 3.73Å; F19-F78 HydrophobicContact CD2-CG 3.73Å; F19-F78 HydrophobicContact CE2-CB 3.97Å; F19-F78 HydrophobicContact CE2-CG 4.43Å; F19-F78 HydrophobicContact CG-CD1 4.37Å
20	D	92.4	Very high	90.4	Very high	98 Å²	98	71.9 Å²	71.9	52%	0.524	41%	0.408	S	S	.	.	H	α-helix	trans	-62.2	-28.1	-179	-72	-12.3	0	0	0	113	I16 Y22	I16-D20 WeakPolarHBondContact O-CB 3.48Å; I16-D20 PolarHBondContact O-N 3.03Å; D20-Y22 VanDerWaalsContact C-N 3.32Å
21	Q	93.5	Very high	90.3	Very high	126 Å²	126	67.8 Å²	67.8	59%	0.589	39%	0.388	S	S	*	.	H	α-helix	trans	-67.3	-33.1	176.4	177.2	-178.4	-38.9	0	0	112.3	Q17 T18 F19	Q17-Q21 VanDerWaalsContact O-CB 3.24Å; Q17-Q21 WeakPolarHBondContact O-CB 3.34Å; Q17-Q21 PolarHBondContact O-N 3.1Å; T18-Q21 PolarHBondContact O-N 3.42Å; F19-Q21 PolarHBondContact O-N 3.19Å
22	Y	92.8	Very high	90.3	Very high	12 Å²	12	65.5 Å²	65.5	5%	0.047	37%	0.369	C	S	.	.	H	α-helix	trans	-98.6	-27.9	-177.9	-67	-71.6	0	0	0	112.8	T18 F19 D20 L32 E36 T39 L40 K43 E44	T18-Y22 HydrophobicContact CG2-CD2 4.19Å; T18-Y22 HydrophobicContact CG2-CE2 4Å; T18-Y22 WeakPolarHBondContact O-CD2 3.41Å; T18-Y22 PolarHBondContact O-N 3.11Å; F19-Y22 PolarHBondContact O-N 3.03Å; D20-Y22 VanDerWaalsContact C-N 3.32Å; Y22-L32 VanDerWaalsContact C-CD2 3.47Å; Y22-E36 WeakPolarHBondContact O-CB 3.25Å; Y22-E36 VanDerWaalsContact O-CG 3.25Å; Y22-E36 WeakPolarHBondContact O-CG 3.49Å; Y22-T39 HydrophobicContact CD1-CG2 4.06Å; Y22-T39 HydrophobicContact CE1-CG2 3.93Å; Y22-L40 HydrophobicContact CD1-CB 4.2Å; Y22-L40 HydrophobicContact CD2-CB 3.8Å; Y22-L40 HydrophobicContact CD2-CD1 3.77Å; Y22-L40 HydrophobicContact CD2-CG 3.65Å; Y22-L40 HydrophobicContact CE2-CB 4.27Å; Y22-L40 HydrophobicContact CE2-CG 4.06Å; Y22-L40 HydrophobicContact CG-CB 3.8Å; Y22-L40 HydrophobicContact CG-CD1 4.23Å; Y22-L40 HydrophobicContact CG-CG 4.17Å; Y22-K43 HydrophobicContact CE1-CD 4Å; Y22-K43 VanDerWaalsContact OH-CB 3.31Å; Y22-K43 WeakPolarHBondContact OH-CB 3.26Å; Y22-K43 WeakPolarHBondContact OH-CD 3.33Å; Y22-E44 HydrophobicContact CE2-CG 3.61Å; Y22-E44 WeakPolarHBondContact CE2-OE1 3.39Å; Y22-E44 PolarHBondContact OH-OE1 2.68Å
23	A	91.8	Very high	90.1	Very high	11 Å²	11	61.4 Å²	61.4	9%	0.091	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	145.4	-179.9	0	0	0	0	0	112.6	F19 T31 L32	F19-A23 HydrophobicContact CD1-CB 4.1Å; F19-A23 HydrophobicContact CE1-CB 3.83Å; F19-A23 HydrophobicContact CZ-CB 4.35Å; F19-A23 WeakPolarHBondContact O-CB 3.25Å; F19-A23 PolarHBondContact O-N 3.11Å; A23-T31 WeakPolarHBondContact CB-O 3.4Å; A23-L32 HydrophobicContact CB-CD2 3.89Å; A23-L32 HydrophobicContact CB-CG 4.38Å
24	G	85.3	Confident	89.7	Confident	20 Å²	20	64.6 Å²	64.6	21%	0.206	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	11.3	171.5	0	0	0	0	0	116.4	D26 G27 K28 E36	G24-D26 PolarHBondContact O-N 3.24Å; G24-G27 PolarHBondContact O-N 2.98Å; G24-G27 VanDerWaalsContact O-N 3.16Å; G24-K28 WeakPolarHBondContact CA-O 3.25Å; G24-K28 PolarHBondContact N-O 3.05Å; G24-K28 VanDerWaalsContact N-O 3.11Å; G24-E36 PolarHBondContact N-OE1 3.49Å; G24-E36 VanDerWaalsContact N-OE1 3.09Å
25	S	80.4	Confident	89.3	Confident	103 Å²	103	64 Å²	64	72%	0.72	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-26.7	165.3	-57.5	0	0	0	0	111.7	E36	S25-E36 WeakPolarHBondContact CA-OE1 3.31Å; S25-E36 WeakPolarHBondContact CB-OE1 3.45Å; S25-E36 PolarHBondContact N-OE1 2.9Å
26	D	80.4	Confident	89.1	Confident	79 Å²	79	62.2 Å²	62.2	42%	0.422	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.4	174.6	73.9	-8.4	0	0	0	114.1	G24 K28 S33 E36	G24-D26 PolarHBondContact O-N 3.24Å; D26-K28 WeakPolarHBondContact OD1-CB 3.17Å; D26-K28 PolarHBondContact OD1-N 3.38Å; D26-S33 WeakPolarHBondContact OD2-CB 3.36Å; D26-E36 PolarHBondContact N-OE1 3.43Å
27	G	81.4	Confident	88.8	Confident	64 Å²	64	58.7 Å²	58.7	66%	0.66	34%	0.335	S	S	*	.	S	Bend	trans	97.9	-9.1	-176.8	0	0	0	0	0	115.4	G24	G24-G27 PolarHBondContact O-N 2.98Å; G24-G27 VanDerWaalsContact O-N 3.16Å
28	K	85.9	Confident	88.3	Confident	102 Å²	102	56.8 Å²	56.8	44%	0.443	33%	0.325	S	S	.	.			trans	-102.3	99.5	175.1	-67.3	-176.3	-179.4	-175	0	111.2	G24 D26 S30 T31 E72	G24-K28 WeakPolarHBondContact CA-O 3.25Å; G24-K28 PolarHBondContact N-O 3.05Å; G24-K28 VanDerWaalsContact N-O 3.11Å; D26-K28 WeakPolarHBondContact OD1-CB 3.17Å; D26-K28 PolarHBondContact OD1-N 3.38Å; K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.44Å; K28-T31 VanDerWaalsContact O-O 3.06Å; K28-E72 WeakPolarHBondContact CD-OE1 3.49Å; K28-E72 IonicContact NZ-OE1 2.55Å; K28-E72 PolarHBondContact NZ-OE1 2.98Å; K28-E72 IonicContact NZ-OE2 3.64Å
29	K	85.5	Confident	88	Confident	168 Å²	168	58.2 Å²	58.2	73%	0.73	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-11.7	-176.3	-63.7	-173.3	176.8	-171.5	0	115
30	S	89.2	Confident	87.8	Confident	87 Å²	87	58.4 Å²	58.4	61%	0.608	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-12.9	-175.9	49.3	0	0	0	0	113.6	K28	K28-S30 VanDerWaalsContact C-N 3.28Å; K28-S30 PolarHBondContact O-N 3.44Å
31	T	92.5	Very high	87.4	Confident	12 Å²	12	53.9 Å²	53.9	7%	0.074	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	159.5	-173.5	53.6	0	0	0	0	110.3	A23 K28 E72 V73 D74	A23-T31 WeakPolarHBondContact CB-O 3.4Å; K28-T31 VanDerWaalsContact O-O 3.06Å; T31-E72 WeakPolarHBondContact CB-OE2 3.5Å; T31-E72 HydrophobicContact CG2-CB 4.22Å; T31-E72 PolarHBondContact OG1-OE2 3.34Å; T31-V73 CarbonylContact C-O 3.57Å; T31-V73 WeakPolarHBondContact CA-O 3.49Å; T31-D74 HydrophobicContact CG2-CB 4.23Å
32	L	91.6	Very high	86.8	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.01	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.5	168.7	-63.6	161.2	0	0	0	108.4	F19 Y22 A23 E36 V37 L40 V73	F19-L32 HydrophobicContact CD2-CD1 3.65Å; F19-L32 HydrophobicContact CD2-CG 4.11Å; F19-L32 HydrophobicContact CE2-CD1 3.53Å; F19-L32 HydrophobicContact CE2-CG 3.69Å; F19-L32 HydrophobicContact CZ-CD1 4.47Å; F19-L32 HydrophobicContact CZ-CG 4.15Å; Y22-L32 VanDerWaalsContact C-CD2 3.47Å; A23-L32 HydrophobicContact CB-CD2 3.89Å; A23-L32 HydrophobicContact CB-CG 4.38Å; L32-E36 HydrophobicContact CB-CB 4.25Å; L32-E36 HydrophobicContact CD2-CB 3.74Å; L32-V37 HydrophobicContact CB-CG2 3.64Å; L32-V37 HydrophobicContact CD1-CG2 4.34Å; L32-L40 HydrophobicContact CD1-CD1 3.82Å; L32-V73 HydrophobicContact CB-CB 4.26Å; L32-V73 PolarHBondContact N-O 2.8Å; L32-V73 PolarHBondContact O-N 2.93Å
33	S	89.9	Confident	86.6	Confident	22 Å²	22	58.5 Å²	58.5	15%	0.154	33%	0.331	C	S	.	.			trans	-67.2	163.9	164.2	67.5	0	0	0	0	111.1	D26 A35 E36 V37	D26-S33 WeakPolarHBondContact OD2-CB 3.36Å; S33-A35 PolarHBondContact O-N 3.35Å; S33-A35 VanDerWaalsContact O-N 3.12Å; S33-E36 VanDerWaalsContact CB-OE2 3.31Å; S33-E36 WeakPolarHBondContact CB-OE2 3.5Å; S33-E36 PolarHBondContact N-OE2 3.02Å; S33-E36 PolarHBondContact O-N 3.13Å; S33-E36 VanDerWaalsContact OG-CD 3.32Å; S33-E36 WeakPolarHBondContact OG-CG 3.45Å; S33-E36 PolarHBondContact OG-N 3.39Å; S33-E36 PolarHBondContact OG-OE2 3.27Å; S33-V37 WeakPolarHBondContact O-CG2 3.45Å; S33-V37 PolarHBondContact O-N 3.43Å
34	K	85.1	Confident	86.5	Confident	94 Å²	94	62 Å²	62	41%	0.409	35%	0.345	S	S	.	.	H	α-helix	trans	-47.6	-40.7	172.2	175.3	163.2	-172.5	177.7	0	114	K38 D59 L62	K34-K38 WeakPolarHBondContact O-CB 3.44Å; K34-K38 PolarHBondContact O-N 2.84Å; K34-K38 VanDerWaalsContact O-N 3.1Å; K34-D59 WeakPolarHBondContact CE-OD1 3.2Å; K34-D59 IonicContact NZ-OD1 2.71Å; K34-D59 PolarHBondContact NZ-OD1 3.41Å; K34-D59 IonicContact NZ-OD2 2.79Å; K34-D59 PolarHBondContact NZ-OD2 3.46Å; K34-L62 HydrophobicContact CB-CD2 3.6Å; K34-L62 HydrophobicContact CD-CD2 3.68Å; K34-L62 HydrophobicContact CG-CD2 3.6Å
35	A	86.9	Confident	86.4	Confident	65 Å²	65	62.5 Å²	62.5	54%	0.537	34%	0.343	S	S	.	.	H	α-helix	trans	-71.5	-37	-178.9	0	0	0	0	0	112.1	S33 K38 T39	S33-A35 PolarHBondContact O-N 3.35Å; S33-A35 VanDerWaalsContact O-N 3.12Å; A35-K38 PolarHBondContact O-N 2.93Å; A35-T39 PolarHBondContact O-N 2.72Å; A35-T39 VanDerWaalsContact O-N 3.13Å; A35-T39 PolarHBondContact O-OG1 3.12Å
36	E	90.6	Very high	86.2	Confident	9 Å²	9	61.2 Å²	61.2	4%	0.042	33%	0.332	C	S	.	.	H	α-helix	trans	-72.8	-41.9	178.1	-67.5	161.8	141.2	0	0	111.1	Y22 G24 S25 D26 L32 S33 K38 T39 L40	Y22-E36 WeakPolarHBondContact O-CB 3.25Å; Y22-E36 VanDerWaalsContact O-CG 3.25Å; Y22-E36 WeakPolarHBondContact O-CG 3.49Å; G24-E36 PolarHBondContact N-OE1 3.49Å; G24-E36 VanDerWaalsContact N-OE1 3.09Å; S25-E36 WeakPolarHBondContact CA-OE1 3.31Å; S25-E36 WeakPolarHBondContact CB-OE1 3.45Å; S25-E36 PolarHBondContact N-OE1 2.9Å; D26-E36 PolarHBondContact N-OE1 3.43Å; L32-E36 HydrophobicContact CB-CB 4.25Å; L32-E36 HydrophobicContact CD2-CB 3.74Å; S33-E36 VanDerWaalsContact CB-OE2 3.31Å; S33-E36 WeakPolarHBondContact CB-OE2 3.5Å; S33-E36 PolarHBondContact N-OE2 3.02Å; S33-E36 PolarHBondContact O-N 3.13Å; S33-E36 VanDerWaalsContact OG-CD 3.32Å; S33-E36 WeakPolarHBondContact OG-CG 3.45Å; S33-E36 PolarHBondContact OG-N 3.39Å; S33-E36 PolarHBondContact OG-OE2 3.27Å; E36-K38 VanDerWaalsContact C-N 3.31Å; E36-K38 PolarHBondContact O-N 3.12Å; E36-T39 PolarHBondContact O-N 3.41Å; E36-T39 VanDerWaalsContact O-N 3.12Å; E36-L40 WeakPolarHBondContact O-CB 3.4Å; E36-L40 PolarHBondContact O-N 2.86Å
37	V	86.9	Confident	85.8	Confident	2 Å²	2	60 Å²	60	1%	0.012	34%	0.339	C	S	.	.	H	α-helix	trans	-55.6	-47.5	171.3	172.2	0	0	0	0	110.5	L32 S33 T39 L40 V41 L62 L65 V73	L32-V37 HydrophobicContact CB-CG2 3.64Å; L32-V37 HydrophobicContact CD1-CG2 4.34Å; S33-V37 WeakPolarHBondContact O-CG2 3.45Å; S33-V37 PolarHBondContact O-N 3.43Å; V37-T39 VanDerWaalsContact C-N 3.29Å; V37-T39 PolarHBondContact O-N 3.29Å; V37-L40 PolarHBondContact O-N 2.98Å; V37-V41 HydrophobicContact CG1-CG2 4.19Å; V37-V41 VanDerWaalsContact O-CG2 3.25Å; V37-V41 WeakPolarHBondContact O-CG2 3.2Å; V37-V41 PolarHBondContact O-N 2.77Å; V37-L62 HydrophobicContact CB-CD1 4.09Å; V37-L62 HydrophobicContact CG1-CD1 4.12Å; V37-L62 HydrophobicContact CG2-CD1 3.81Å; V37-L65 HydrophobicContact CG1-CD1 3.64Å; V37-V73 HydrophobicContact CG2-CB 4.09Å; V37-V73 HydrophobicContact CG2-CG2 3.76Å
38	K	84.1	Confident	85.1	Confident	89 Å²	89	59.9 Å²	59.9	39%	0.387	32%	0.323	S	S	.	.	H	α-helix	trans	-55.1	-48	176.7	-179.7	176.6	172.6	-175.9	0	111.5	K34 A35 E36 V41 E42 V58	K34-K38 WeakPolarHBondContact O-CB 3.44Å; K34-K38 PolarHBondContact O-N 2.84Å; K34-K38 VanDerWaalsContact O-N 3.1Å; A35-K38 PolarHBondContact O-N 2.93Å; E36-K38 VanDerWaalsContact C-N 3.31Å; E36-K38 PolarHBondContact O-N 3.12Å; K38-V41 PolarHBondContact O-N 3.07Å; K38-E42 WeakPolarHBondContact CE-OE1 3.42Å; K38-E42 IonicContact NZ-OE1 3.93Å; K38-E42 WeakPolarHBondContact O-CB 3.43Å; K38-E42 VanDerWaalsContact O-CG 3.29Å; K38-E42 WeakPolarHBondContact O-CG 3Å; K38-E42 PolarHBondContact O-N 3.26Å; K38-V58 HydrophobicContact CB-CG1 3.79Å; K38-V58 HydrophobicContact CD-CG1 4.42Å; K38-V58 HydrophobicContact CG-CG1 3.94Å; K38-V58 HydrophobicContact CG-CG2 4.4Å
39	T	88.3	Confident	83.9	Confident	53 Å²	53	56 Å²	56	33%	0.325	31%	0.307	S	S	.	.	H	α-helix	trans	-64.6	-42.3	-178.9	-55	0	0	0	0	111.9	Y22 A35 E36 V37 E42 K43	Y22-T39 HydrophobicContact CD1-CG2 4.06Å; Y22-T39 HydrophobicContact CE1-CG2 3.93Å; A35-T39 PolarHBondContact O-N 2.72Å; A35-T39 VanDerWaalsContact O-N 3.13Å; A35-T39 PolarHBondContact O-OG1 3.12Å; E36-T39 PolarHBondContact O-N 3.41Å; E36-T39 VanDerWaalsContact O-N 3.12Å; V37-T39 VanDerWaalsContact C-N 3.29Å; V37-T39 PolarHBondContact O-N 3.29Å; T39-E42 PolarHBondContact O-N 2.92Å; T39-K43 HydrophobicContact CG2-CD 4.29Å; T39-K43 WeakPolarHBondContact O-CG 3.31Å; T39-K43 PolarHBondContact O-N 2.84Å; T39-K43 VanDerWaalsContact O-N 3.11Å
40	L	89.7	Confident	82.5	Confident	8 Å²	8	56.5 Å²	56.5	4%	0.042	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-52.1	176.7	-177.4	160.4	0	0	0	110.3	Y22 L32 E36 V37 E42 K43 E44 F78	Y22-L40 HydrophobicContact CD1-CB 4.2Å; Y22-L40 HydrophobicContact CD2-CB 3.8Å; Y22-L40 HydrophobicContact CD2-CD1 3.77Å; Y22-L40 HydrophobicContact CD2-CG 3.65Å; Y22-L40 HydrophobicContact CE2-CB 4.27Å; Y22-L40 HydrophobicContact CE2-CG 4.06Å; Y22-L40 HydrophobicContact CG-CB 3.8Å; Y22-L40 HydrophobicContact CG-CD1 4.23Å; Y22-L40 HydrophobicContact CG-CG 4.17Å; L32-L40 HydrophobicContact CD1-CD1 3.82Å; E36-L40 WeakPolarHBondContact O-CB 3.4Å; E36-L40 PolarHBondContact O-N 2.86Å; V37-L40 PolarHBondContact O-N 2.98Å; L40-E42 VanDerWaalsContact C-N 3.3Å; L40-E42 PolarHBondContact O-N 3.18Å; L40-K43 PolarHBondContact O-N 2.99Å; L40-E44 HydrophobicContact CD2-CB 4.43Å; L40-E44 HydrophobicContact CG-CG 4.35Å; L40-E44 WeakPolarHBondContact O-CB 3.36Å; L40-E44 PolarHBondContact O-N 2.94Å; L40-F78 HydrophobicContact CD1-CD2 4.17Å; L40-F78 HydrophobicContact CD1-CE2 3.77Å; L40-F78 HydrophobicContact CD2-CE2 4.14Å
41	V	82.7	Confident	80.7	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.024	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-39.1	-177.4	-175.2	0	0	0	0	110.2	V37 K38 K43 L45 L49	V37-V41 HydrophobicContact CG1-CG2 4.19Å; V37-V41 VanDerWaalsContact O-CG2 3.25Å; V37-V41 WeakPolarHBondContact O-CG2 3.2Å; V37-V41 PolarHBondContact O-N 2.77Å; K38-V41 PolarHBondContact O-N 3.07Å; V41-K43 VanDerWaalsContact C-N 3.34Å; V41-K43 PolarHBondContact O-N 3.16Å; V41-L45 HydrophobicContact CG1-CB 4.12Å; V41-L45 HydrophobicContact CG1-CD1 4.38Å; V41-L45 HydrophobicContact CG2-CD1 4.48Å; V41-L45 CarbonylContact O-C 3.59Å; V41-L45 VanDerWaalsContact O-C 3.26Å; V41-L45 WeakPolarHBondContact O-CA 3.34Å; V41-L45 WeakPolarHBondContact O-CB 3.23Å; V41-L45 PolarHBondContact O-N 2.81Å; V41-L49 HydrophobicContact CB-CD1 4.33Å; V41-L49 HydrophobicContact CB-CD2 4.47Å; V41-L49 HydrophobicContact CG1-CD1 3.78Å; V41-L49 HydrophobicContact CG1-CD2 3.45Å; V41-L49 VanDerWaalsContact CG1-CD2 3.45Å; V41-L49 HydrophobicContact CG1-CG 3.58Å; V41-L49 WeakPolarHBondContact O-CD1 3.45Å
42	E	82.6	Confident	78.5	Confident	97 Å²	97	54.5 Å²	54.5	45%	0.453	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-39.1	176.2	-78.9	177.2	-179.6	0	0	113.7	K38 T39 L40 L49	K38-E42 WeakPolarHBondContact CE-OE1 3.42Å; K38-E42 IonicContact NZ-OE1 3.93Å; K38-E42 WeakPolarHBondContact O-CB 3.43Å; K38-E42 VanDerWaalsContact O-CG 3.29Å; K38-E42 WeakPolarHBondContact O-CG 3Å; K38-E42 PolarHBondContact O-N 3.26Å; T39-E42 PolarHBondContact O-N 2.92Å; L40-E42 VanDerWaalsContact C-N 3.3Å; L40-E42 PolarHBondContact O-N 3.18Å; E42-L49 HydrophobicContact CB-CD1 4.11Å; E42-L49 HydrophobicContact CG-CD1 3.74Å
43	K	87.6	Confident	76.8	Confident	138 Å²	138	63.1 Å²	63.1	60%	0.6	34%	0.341	S	S	*	.	H	α-helix	trans	-93.2	-43.1	-174.8	-70.2	-173.5	179.8	178.2	0	113.7	Y22 T39 L40 V41	Y22-K43 HydrophobicContact CE1-CD 4Å; Y22-K43 VanDerWaalsContact OH-CB 3.31Å; Y22-K43 WeakPolarHBondContact OH-CB 3.26Å; Y22-K43 WeakPolarHBondContact OH-CD 3.33Å; T39-K43 HydrophobicContact CG2-CD 4.29Å; T39-K43 WeakPolarHBondContact O-CG 3.31Å; T39-K43 PolarHBondContact O-N 2.84Å; T39-K43 VanDerWaalsContact O-N 3.11Å; L40-K43 PolarHBondContact O-N 2.99Å; V41-K43 VanDerWaalsContact C-N 3.34Å; V41-K43 PolarHBondContact O-N 3.16Å
44	E	89.2	Confident	75.5	Confident	83 Å²	83	66.5 Å²	66.5	39%	0.388	36%	0.357	S	S	.	.	H	α-helix	trans	-92.7	-26.6	-172.3	-55.7	-58	154.4	0	0	112.6	T18 Y22 L40 P46	T18-E44 HydrophobicContact CG2-CG 3.84Å; Y22-E44 HydrophobicContact CE2-CG 3.61Å; Y22-E44 WeakPolarHBondContact CE2-OE1 3.39Å; Y22-E44 PolarHBondContact OH-OE1 2.68Å; L40-E44 HydrophobicContact CD2-CB 4.43Å; L40-E44 HydrophobicContact CG-CG 4.35Å; L40-E44 WeakPolarHBondContact O-CB 3.36Å; L40-E44 PolarHBondContact O-N 2.94Å; E44-P46 WeakPolarHBondContact O-CD 3.48Å
45	L	82.9	Confident	74.6	Confident	32 Å²	32	66.2 Å²	66.2	17%	0.168	37%	0.365	C	S	.	.			trans	-122.5	44.3	-175.3	-56.7	173.8	0	0	0	113.2	V41 G47 L48 L49 L85	V41-L45 HydrophobicContact CG1-CB 4.12Å; V41-L45 HydrophobicContact CG1-CD1 4.38Å; V41-L45 HydrophobicContact CG2-CD1 4.48Å; V41-L45 CarbonylContact O-C 3.59Å; V41-L45 VanDerWaalsContact O-C 3.26Å; V41-L45 WeakPolarHBondContact O-CA 3.34Å; V41-L45 WeakPolarHBondContact O-CB 3.23Å; V41-L45 PolarHBondContact O-N 2.81Å; L45-G47 PolarHBondContact O-N 2.55Å; L45-G47 VanDerWaalsContact O-N 3.11Å; L45-L48 HydrophobicContact CB-CB 4.23Å; L45-L48 HydrophobicContact CB-CD1 4.06Å; L45-L48 HydrophobicContact CD1-CD1 4.32Å; L45-L48 HydrophobicContact CD2-CD1 3.96Å; L45-L48 HydrophobicContact CG-CD1 4.34Å; L45-L48 WeakPolarHBondContact O-CB 3.36Å; L45-L48 PolarHBondContact O-N 2.84Å; L45-L49 PolarHBondContact O-N 3.34Å; L45-L85 HydrophobicContact CD1-CD1 3.92Å
46	P	76.3	Confident	74	Confident	75 Å²	75	69.1 Å²	69.1	49%	0.487	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-25.6	-174.5	28	-36.4	0	0	0	112.9	E44 L49 K50	E44-P46 WeakPolarHBondContact O-CD 3.48Å; P46-L49 PolarHBondContact O-N 3.11Å; P46-K50 PolarHBondContact O-N 2.85Å
47	G	73.3	Confident	73.1	Confident	55 Å²	55	72.1 Å²	72.1	57%	0.567	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-35.5	175.5	0	0	0	0	0	113.4	L45	L45-G47 PolarHBondContact O-N 2.55Å; L45-G47 VanDerWaalsContact O-N 3.11Å
48	L	65.8	Low	72.4	Confident	60 Å²	60	72.5 Å²	72.5	31%	0.314	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-70.6	-35.1	173.2	-90.6	136.8	0	0	0	111.2	L45 K50 F61 L85	L45-L48 HydrophobicContact CB-CB 4.23Å; L45-L48 HydrophobicContact CB-CD1 4.06Å; L45-L48 HydrophobicContact CD1-CD1 4.32Å; L45-L48 HydrophobicContact CD2-CD1 3.96Å; L45-L48 HydrophobicContact CG-CD1 4.34Å; L45-L48 WeakPolarHBondContact O-CB 3.36Å; L45-L48 PolarHBondContact O-N 2.84Å; L48-K50 VanDerWaalsContact C-N 3.31Å; L48-K50 PolarHBondContact O-N 2.73Å; L48-F61 HydrophobicContact CD2-CE1 4.44Å; L48-F61 HydrophobicContact CD2-CZ 3.95Å; L48-L85 HydrophobicContact CD1-CD1 3.77Å; L48-L85 HydrophobicContact CD1-CD2 3.87Å; L48-L85 HydrophobicContact CD1-CG 4.35Å; L48-L85 HydrophobicContact CD2-CD2 3.51Å; L48-L85 HydrophobicContact CG-CD2 4.34Å
49	L	60.8	Low	72	Confident	20 Å²	20	70.8 Å²	70.8	11%	0.105	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-81.3	-0.2	178.4	-66.2	175.2	0	0	0	115.5	V41 E42 L45 P46 G51 A52	V41-L49 HydrophobicContact CB-CD1 4.33Å; V41-L49 HydrophobicContact CB-CD2 4.47Å; V41-L49 HydrophobicContact CG1-CD1 3.78Å; V41-L49 HydrophobicContact CG1-CD2 3.45Å; V41-L49 VanDerWaalsContact CG1-CD2 3.45Å; V41-L49 HydrophobicContact CG1-CG 3.58Å; V41-L49 WeakPolarHBondContact O-CD1 3.45Å; E42-L49 HydrophobicContact CB-CD1 4.11Å; E42-L49 HydrophobicContact CG-CD1 3.74Å; L45-L49 PolarHBondContact O-N 3.34Å; P46-L49 PolarHBondContact O-N 3.11Å; L49-G51 CarbonylContact O-C 3.26Å; L49-G51 PolarHBondContact O-N 2.61Å; L49-A52 HydrophobicContact CB-CB 4.38Å; L49-A52 HydrophobicContact CD2-CB 3.34Å; L49-A52 HydrophobicContact CG-CB 4.4Å; L49-A52 PolarHBondContact O-N 2.7Å
50	K	57	Low	71.5	Confident	180 Å²	180	75 Å²	75	78%	0.783	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-57.5	-19.8	171.6	-76.1	-176.7	179.9	178.3	0	112.2	P46 L48	P46-K50 PolarHBondContact O-N 2.85Å; L48-K50 VanDerWaalsContact C-N 3.31Å; L48-K50 PolarHBondContact O-N 2.73Å
51	G	50.5	Low	70.8	Confident	49 Å²	49	76.4 Å²	76.4	51%	0.505	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-41.9	164.5	0	0	0	0	0	114.6	L49 K53 E57	L49-G51 CarbonylContact O-C 3.26Å; L49-G51 PolarHBondContact O-N 2.61Å; G51-K53 VanDerWaalsContact C-N 3.28Å; G51-K53 PolarHBondContact O-N 3.46Å; G51-E57 VanDerWaalsContact C-OE2 3.29Å
52	A	47.5	Very low	70.5	Confident	8 Å²	8	77 Å²	77	7%	0.066	41%	0.406	C	S	.	.			trans	-83.6	47.9	-169.8	0	0	0	0	0	115.9	L49 N54 E57	L49-A52 HydrophobicContact CB-CB 4.38Å; L49-A52 HydrophobicContact CD2-CB 3.34Å; L49-A52 HydrophobicContact CG-CB 4.4Å; L49-A52 PolarHBondContact O-N 2.7Å; A52-N54 PolarHBondContact O-N 3.16Å; A52-N54 VanDerWaalsContact O-N 3.16Å; A52-E57 VanDerWaalsContact CA-CD 3.45Å; A52-E57 WeakPolarHBondContact CA-OE2 3.46Å; A52-E57 HydrophobicContact CB-CB 3.39Å; A52-E57 HydrophobicContact CB-CG 4.22Å; A52-E57 WeakPolarHBondContact CB-OE2 3.36Å; A52-E57 PolarHBondContact N-OE2 3.09Å; A52-E57 VanDerWaalsContact N-OE2 3.11Å
53	K	55.1	Low	70.3	Confident	183 Å²	183	80 Å²	80	80%	0.796	42%	0.417	S	S	*	.			trans	-67.9	-5.9	169.4	-68.2	-175.6	178.3	-179.1	0	113.4	G51	G51-K53 VanDerWaalsContact C-N 3.28Å; G51-K53 PolarHBondContact O-N 3.46Å
54	N	62.4	Low	69.8	Low	92 Å²	92	78 Å²	78	49%	0.492	41%	0.413	S	S	.	.	S	Bend	trans	-107.1	138.5	-176.1	-68.9	-15.1	0	0	0	111.5	A52 D56 E57	A52-N54 PolarHBondContact O-N 3.16Å; A52-N54 VanDerWaalsContact O-N 3.16Å; N54-D56 PolarHBondContact O-N 3.5Å; N54-D56 VanDerWaalsContact O-N 3.09Å; N54-E57 PolarHBondContact O-N 2.92Å
55	P	67.2	Low	69.4	Low	89 Å²	89	74.3 Å²	74.3	58%	0.578	40%	0.396	S	S	*	.	H	α-helix	trans	-50.5	-33.6	174.2	-25.4	32.4	0	0	0	113.8	E57 V58 D59	P55-E57 VanDerWaalsContact C-N 3.3Å; P55-E57 PolarHBondContact O-N 3.45Å; P55-V58 PolarHBondContact O-N 3.23Å; P55-D59 PolarHBondContact O-N 2.94Å
56	D	74	Confident	69.6	Low	125 Å²	125	73.8 Å²	73.8	67%	0.668	39%	0.393	S	S	*	.	H	α-helix	trans	-65.2	-29.7	-179.4	-60.4	-34.1	0	0	0	113.6	N54 K60	N54-D56 PolarHBondContact O-N 3.5Å; N54-D56 VanDerWaalsContact O-N 3.09Å; D56-K60 WeakPolarHBondContact O-CB 3.49Å; D56-K60 PolarHBondContact O-N 2.95Å
57	E	72.3	Confident	69.9	Low	73 Å²	73	75 Å²	75	34%	0.341	40%	0.395	S	S	.	.	H	α-helix	trans	-77.6	-36.3	177.8	-70.7	-168.1	-148.2	0	0	111.5	G51 A52 N54 P55 D59 K60 F61	G51-E57 VanDerWaalsContact C-OE2 3.29Å; A52-E57 VanDerWaalsContact CA-CD 3.45Å; A52-E57 WeakPolarHBondContact CA-OE2 3.46Å; A52-E57 HydrophobicContact CB-CB 3.39Å; A52-E57 HydrophobicContact CB-CG 4.22Å; A52-E57 WeakPolarHBondContact CB-OE2 3.36Å; A52-E57 PolarHBondContact N-OE2 3.09Å; A52-E57 VanDerWaalsContact N-OE2 3.11Å; N54-E57 PolarHBondContact O-N 2.92Å; P55-E57 VanDerWaalsContact C-N 3.3Å; P55-E57 PolarHBondContact O-N 3.45Å; E57-D59 VanDerWaalsContact C-N 3.31Å; E57-K60 WeakPolarHBondContact O-CB 3.37Å; E57-K60 PolarHBondContact O-N 3.11Å; E57-F61 WeakPolarHBondContact O-CD2 3.39Å; E57-F61 PolarHBondContact O-N 2.99Å
58	V	70.5	Confident	70.6	Confident	10 Å²	10	76.3 Å²	76.3	6%	0.061	39%	0.389	C	S	.	.	H	α-helix	trans	-62.7	-42.5	170.9	177.9	0	0	0	0	110.2	K38 P55 K60 F61 L62	K38-V58 HydrophobicContact CB-CG1 3.79Å; K38-V58 HydrophobicContact CD-CG1 4.42Å; K38-V58 HydrophobicContact CG-CG1 3.94Å; K38-V58 HydrophobicContact CG-CG2 4.4Å; P55-V58 PolarHBondContact O-N 3.23Å; V58-K60 VanDerWaalsContact C-N 3.3Å; V58-K60 PolarHBondContact O-N 3.01Å; V58-F61 WeakPolarHBondContact O-CB 3.49Å; V58-F61 PolarHBondContact O-N 2.86Å; V58-L62 PolarHBondContact O-N 2.93Å
59	D	76.8	Confident	71.6	Confident	52 Å²	52	83.6 Å²	83.6	28%	0.278	41%	0.412	S	S	.	.	H	α-helix	trans	-61.9	-38.4	174.7	-84.1	23.3	0	0	0	112.3	K34 P55 E57 K63	K34-D59 WeakPolarHBondContact CE-OD1 3.2Å; K34-D59 IonicContact NZ-OD1 2.71Å; K34-D59 PolarHBondContact NZ-OD1 3.41Å; K34-D59 IonicContact NZ-OD2 2.79Å; K34-D59 PolarHBondContact NZ-OD2 3.46Å; P55-D59 PolarHBondContact O-N 2.94Å; E57-D59 VanDerWaalsContact C-N 3.31Å; D59-K63 WeakPolarHBondContact O-CB 3.41Å; D59-K63 WeakPolarHBondContact O-CG 3.41Å; D59-K63 PolarHBondContact O-N 3.23Å
60	K	77.8	Confident	72.9	Confident	141 Å²	141	86.2 Å²	86.2	61%	0.613	43%	0.427	S	S	*	.	H	α-helix	trans	-67.2	-40.7	174.2	-170	-179.7	179.3	-176.3	0	111.6	D56 E57 V58 K63 N64	D56-K60 WeakPolarHBondContact O-CB 3.49Å; D56-K60 PolarHBondContact O-N 2.95Å; E57-K60 WeakPolarHBondContact O-CB 3.37Å; E57-K60 PolarHBondContact O-N 3.11Å; V58-K60 VanDerWaalsContact C-N 3.3Å; V58-K60 PolarHBondContact O-N 3.01Å; K60-K63 PolarHBondContact O-N 3.43Å; K60-N64 PolarHBondContact O-N 3.33Å; K60-N64 PolarHBondContact O-ND2 2.67Å; K60-N64 VanDerWaalsContact O-ND2 3.13Å; K60-N64 PolarHBondContact O-OD1 3.15Å
61	F	73.9	Confident	74.3	Confident	39 Å²	39	81.6 Å²	81.6	17%	0.171	42%	0.417	C	S	.	.	H	α-helix	trans	-62.8	-45.3	174.5	-97.3	-78.5	0	0	0	111.8	L48 E57 V58 K63 N64 L65	L48-F61 HydrophobicContact CD2-CE1 4.44Å; L48-F61 HydrophobicContact CD2-CZ 3.95Å; E57-F61 WeakPolarHBondContact O-CD2 3.39Å; E57-F61 PolarHBondContact O-N 2.99Å; V58-F61 WeakPolarHBondContact O-CB 3.49Å; V58-F61 PolarHBondContact O-N 2.86Å; F61-K63 VanDerWaalsContact C-N 3.33Å; F61-K63 PolarHBondContact O-N 3.31Å; F61-N64 WeakPolarHBondContact O-CB 3.43Å; F61-N64 PolarHBondContact O-N 3.3Å; F61-N64 VanDerWaalsContact O-N 3.09Å; F61-L65 WeakPolarHBondContact O-CB 3.11Å; F61-L65 PolarHBondContact O-N 2.86Å
62	L	76.1	Confident	76.1	Confident	16 Å²	16	81.1 Å²	81.1	8%	0.084	40%	0.402	C	S	.	.	H	α-helix	trans	-59.3	-45.3	175.2	-176.4	70.6	0	0	0	111.1	K34 V37 V58 N64 L65 D66 V73	K34-L62 HydrophobicContact CB-CD2 3.6Å; K34-L62 HydrophobicContact CD-CD2 3.68Å; K34-L62 HydrophobicContact CG-CD2 3.6Å; V37-L62 HydrophobicContact CB-CD1 4.09Å; V37-L62 HydrophobicContact CG1-CD1 4.12Å; V37-L62 HydrophobicContact CG2-CD1 3.81Å; V58-L62 PolarHBondContact O-N 2.93Å; L62-N64 PolarHBondContact O-N 2.97Å; L62-L65 WeakPolarHBondContact O-CB 3.33Å; L62-L65 PolarHBondContact O-N 3.48Å; L62-D66 WeakPolarHBondContact O-CB 3.47Å; L62-D66 PolarHBondContact O-N 2.84Å; L62-V73 HydrophobicContact CD1-CG2 3.67Å
63	K	80.4	Confident	78.2	Confident	160 Å²	160	80.8 Å²	80.8	70%	0.696	40%	0.399	S	S	*	.	H	α-helix	trans	-62.6	-27.3	175.9	-77.2	176.7	-179.8	176.8	0	114	D59 K60 F61	D59-K63 WeakPolarHBondContact O-CB 3.41Å; D59-K63 WeakPolarHBondContact O-CG 3.41Å; D59-K63 PolarHBondContact O-N 3.23Å; K60-K63 PolarHBondContact O-N 3.43Å; F61-K63 VanDerWaalsContact C-N 3.33Å; F61-K63 PolarHBondContact O-N 3.31Å
64	N	76.7	Confident	80.1	Confident	96 Å²	96	74.3 Å²	74.3	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-81.4	-23	175.5	-65	-27.6	0	0	0	112.1	K60 F61 L62	K60-N64 PolarHBondContact O-N 3.33Å; K60-N64 PolarHBondContact O-ND2 2.67Å; K60-N64 VanDerWaalsContact O-ND2 3.13Å; K60-N64 PolarHBondContact O-OD1 3.15Å; F61-N64 WeakPolarHBondContact O-CB 3.43Å; F61-N64 PolarHBondContact O-N 3.3Å; F61-N64 VanDerWaalsContact O-N 3.09Å; L62-N64 PolarHBondContact O-N 2.97Å
65	L	80.8	Confident	81.5	Confident	6 Å²	6	73.6 Å²	73.6	3%	0.031	37%	0.365	C	S	.	.	H	α-helix	trans	-84.7	-46.1	178.7	-89.4	168.9	0	0	0	112.2	V37 F61 L62 L67 V73 E77 L81	V37-L65 HydrophobicContact CG1-CD1 3.64Å; F61-L65 WeakPolarHBondContact O-CB 3.11Å; F61-L65 PolarHBondContact O-N 2.86Å; L62-L65 WeakPolarHBondContact O-CB 3.33Å; L62-L65 PolarHBondContact O-N 3.48Å; L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.19Å; L65-V73 HydrophobicContact CB-CG1 4.23Å; L65-V73 HydrophobicContact CB-CG2 3.74Å; L65-V73 HydrophobicContact CD1-CG2 4.4Å; L65-V73 HydrophobicContact CD2-CG1 3.99Å; L65-E77 WeakPolarHBondContact O-CB 3.47Å; L65-L81 HydrophobicContact CD1-CD2 3.91Å; L65-L81 HydrophobicContact CD2-CB 3.33Å; L65-L81 HydrophobicContact CD2-CD1 4.25Å; L65-L81 HydrophobicContact CD2-CD2 3.53Å; L65-L81 HydrophobicContact CD2-CG 3.84Å; L65-L81 HydrophobicContact CG-CB 4.29Å; L65-L81 HydrophobicContact CG-CD1 4.34Å; L65-L81 HydrophobicContact CG-CD2 3.84Å; L65-L81 HydrophobicContact CG-CG 4.36Å
66	D	85.9	Confident	82.8	Confident	20 Å²	20	75.7 Å²	75.7	11%	0.107	37%	0.367	C	S	.	.			trans	-74.5	81.9	179.1	176.7	14.5	0	0	0	109.7	L62 N68 R69 D70 S71	L62-D66 WeakPolarHBondContact O-CB 3.47Å; L62-D66 PolarHBondContact O-N 2.84Å; D66-N68 PolarHBondContact OD1-OD1 3.2Å; D66-R69 WeakPolarHBondContact OD1-CA 3.46Å; D66-R69 PolarHBondContact OD1-N 3.35Å; D66-R69 WeakPolarHBondContact OD2-CA 3.44Å; D66-D70 PolarHBondContact OD1-N 3.42Å; D66-S71 VanDerWaalsContact OD2-CA 3.25Å; D66-S71 WeakPolarHBondContact OD2-CA 3.33Å; D66-S71 PolarHBondContact OD2-N 3.37Å
67	L	83.6	Confident	83.6	Confident	102 Å²	102	70 Å²	70	53%	0.534	34%	0.337	S	S	.	.	S	Bend	trans	-78.4	-33.6	-175.1	-66.8	172.9	0	0	0	111	L65 R69 E77 M80	L65-L67 VanDerWaalsContact C-N 3.33Å; L65-L67 PolarHBondContact O-N 3.19Å; L67-R69 VanDerWaalsContact C-N 3.34Å; L67-E77 HydrophobicContact CB-CG 4.38Å; L67-E77 HydrophobicContact CD1-CG 4.36Å; L67-E77 HydrophobicContact CG-CG 4.49Å; L67-E77 PolarHBondContact N-OE1 3.07Å; L67-M80 HydrophobicContact CD1-CE 3.14Å; L67-M80 HydrophobicContact CD1-SD 4.15Å
68	N	87.9	Confident	84.5	Confident	82 Å²	82	67 Å²	67	44%	0.439	32%	0.323	S	S	.	.	S	Bend	trans	-82.4	-13.7	179.5	77.1	17.6	0	0	0	112.8	D66 D70 E77	D66-N68 PolarHBondContact OD1-OD1 3.2Å; N68-D70 PolarHBondContact ND2-OD2 2.98Å; N68-D70 VanDerWaalsContact OD1-CB 3.23Å; N68-D70 WeakPolarHBondContact OD1-CB 3.21Å; N68-D70 PolarHBondContact OD1-N 2.94Å; N68-D70 PolarHBondContact OD1-OD1 2.98Å; N68-D70 PolarHBondContact OD1-OD2 2.83Å; N68-E77 PolarHBondContact N-OE1 3.41Å; N68-E77 VanDerWaalsContact N-OE1 3.07Å
69	R	86.2	Confident	85.6	Confident	212 Å²	212	68.4 Å²	68.4	80%	0.8	33%	0.332	S	S	*	.			trans	67.2	33.2	179.7	-54.5	-176.8	-179.8	-178.2	0.9	114.5	D66 L67 S71	D66-R69 WeakPolarHBondContact OD1-CA 3.46Å; D66-R69 PolarHBondContact OD1-N 3.35Å; D66-R69 WeakPolarHBondContact OD2-CA 3.44Å; L67-R69 VanDerWaalsContact C-N 3.34Å; R69-S71 VanDerWaalsContact C-N 3.33Å
70	D	88.3	Confident	86.1	Confident	76 Å²	76	69.7 Å²	69.7	41%	0.406	34%	0.337	S	S	.	.	S	Bend	trans	-89.1	1.1	175.7	73.2	11.9	0	0	0	113.6	D66 N68 E72	D66-D70 PolarHBondContact OD1-N 3.42Å; N68-D70 PolarHBondContact ND2-OD2 2.98Å; N68-D70 VanDerWaalsContact OD1-CB 3.23Å; N68-D70 WeakPolarHBondContact OD1-CB 3.21Å; N68-D70 PolarHBondContact OD1-N 2.94Å; N68-D70 PolarHBondContact OD1-OD1 2.98Å; N68-D70 PolarHBondContact OD1-OD2 2.83Å; D70-E72 PolarHBondContact O-N 3.5Å; D70-E72 WeakPolarHBondContact OD1-CA 3.38Å; D70-E72 WeakPolarHBondContact OD1-CB 3.24Å; D70-E72 PolarHBondContact OD1-N 2.82Å
71	S	86.3	Confident	86.5	Confident	83 Å²	83	63.9 Å²	63.9	58%	0.58	31%	0.312	S	S	*	.	S	Bend	trans	67.7	12.9	-177.1	-51.4	0	0	0	0	115	D66 R69	D66-S71 VanDerWaalsContact OD2-CA 3.25Å; D66-S71 WeakPolarHBondContact OD2-CA 3.33Å; D66-S71 PolarHBondContact OD2-N 3.37Å; R69-S71 VanDerWaalsContact C-N 3.33Å
72	E	89.3	Confident	87.2	Confident	39 Å²	39	63.6 Å²	63.6	18%	0.182	31%	0.312	C	S	.	.	S	Bend	trans	-120.7	171.1	170.8	-57.9	-171.3	176.5	0	0	109.2	K28 T31 D70	K28-E72 WeakPolarHBondContact CD-OE1 3.49Å; K28-E72 IonicContact NZ-OE1 2.55Å; K28-E72 PolarHBondContact NZ-OE1 2.98Å; K28-E72 IonicContact NZ-OE2 3.64Å; T31-E72 WeakPolarHBondContact CB-OE2 3.5Å; T31-E72 HydrophobicContact CG2-CB 4.22Å; T31-E72 PolarHBondContact OG1-OE2 3.34Å; D70-E72 PolarHBondContact O-N 3.5Å; D70-E72 WeakPolarHBondContact OD1-CA 3.38Å; D70-E72 WeakPolarHBondContact OD1-CB 3.24Å; D70-E72 PolarHBondContact OD1-N 2.82Å
73	V	91.9	Very high	87.8	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	112.4	174.9	178.4	0	0	0	0	108.1	T31 L32 V37 L62 L65 E77 F78	T31-V73 CarbonylContact C-O 3.57Å; T31-V73 WeakPolarHBondContact CA-O 3.49Å; L32-V73 HydrophobicContact CB-CB 4.26Å; L32-V73 PolarHBondContact N-O 2.8Å; L32-V73 PolarHBondContact O-N 2.93Å; V37-V73 HydrophobicContact CG2-CB 4.09Å; V37-V73 HydrophobicContact CG2-CG2 3.76Å; L62-V73 HydrophobicContact CD1-CG2 3.67Å; L65-V73 HydrophobicContact CB-CG1 4.23Å; L65-V73 HydrophobicContact CB-CG2 3.74Å; L65-V73 HydrophobicContact CD1-CG2 4.4Å; L65-V73 HydrophobicContact CD2-CG1 3.99Å; V73-E77 WeakPolarHBondContact CA-OE2 3.49Å; V73-E77 HydrophobicContact CG1-CB 3.84Å; V73-F78 HydrophobicContact CG1-CB 4.34Å
74	D	93.6	Very high	87.9	Confident	47 Å²	47	63.4 Å²	63.4	25%	0.251	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	173.5	175.1	75.4	29.8	0	0	0	112.1	T31 Q76 E77 F78	T31-D74 HydrophobicContact CG2-CB 4.23Å; D74-Q76 VanDerWaalsContact C-N 3.26Å; D74-Q76 PolarHBondContact O-N 2.99Å; D74-Q76 WeakPolarHBondContact OD1-CA 3.36Å; D74-Q76 VanDerWaalsContact OD1-CB 3.24Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.35Å; D74-Q76 PolarHBondContact OD1-N 3.21Å; D74-E77 PolarHBondContact N-OE2 3.06Å; D74-E77 PolarHBondContact O-N 2.89Å; D74-E77 PolarHBondContact OD1-N 3.22Å; D74-F78 WeakPolarHBondContact O-CB 3.37Å; D74-F78 PolarHBondContact O-N 3.34Å
75	F	93.1	Very high	88.1	Confident	77 Å²	77	59.8 Å²	59.8	34%	0.338	31%	0.305	S	S	.	.	H	α-helix	trans	-62.7	-33.5	-179.7	-176.2	-109.8	0	0	0	112.9	I16 F19 F78 V79	I16-F75 HydrophobicContact CB-CZ 4.49Å; I16-F75 HydrophobicContact CG1-CE1 4.34Å; I16-F75 HydrophobicContact CG1-CE2 4.13Å; I16-F75 HydrophobicContact CG1-CZ 3.6Å; F19-F75 HydrophobicContact CB-CD2 3.75Å; F19-F75 HydrophobicContact CB-CE2 3.95Å; F19-F75 HydrophobicContact CD1-CB 4.45Å; F19-F75 AromaticContact CD1-CD2 3.91Å; F19-F75 HydrophobicContact CD1-CD2 3.91Å; F19-F75 AromaticContact CD2-CD2 3.9Å; F19-F75 HydrophobicContact CD2-CD2 3.9Å; F19-F75 HydrophobicContact CE1-CB 4.2Å; F19-F75 HydrophobicContact CE1-CD2 4.49Å; F19-F75 HydrophobicContact CE2-CB 4.28Å; F19-F75 HydrophobicContact CE2-CD2 4.46Å; F19-F75 AromaticContact CG-CD2 3.59Å; F19-F75 HydrophobicContact CG-CD2 3.59Å; F19-F75 HydrophobicContact CG-CE2 4.3Å; F19-F75 HydrophobicContact CZ-CB 4.11Å; F75-F78 HydrophobicContact CD2-CD1 4.08Å; F75-F78 HydrophobicContact CE2-CD1 4.04Å; F75-F78 HydrophobicContact CE2-CE1 4.37Å; F75-F78 PolarHBondContact O-N 2.93Å; F75-V79 HydrophobicContact CD1-CG2 4.19Å; F75-V79 HydrophobicContact CD2-CG2 4.37Å; F75-V79 HydrophobicContact CE1-CG2 3.71Å; F75-V79 HydrophobicContact CE2-CG2 3.91Å; F75-V79 HydrophobicContact CZ-CG2 3.55Å; F75-V79 VanDerWaalsContact O-CG2 3.32Å; F75-V79 WeakPolarHBondContact O-CG2 3.13Å; F75-V79 PolarHBondContact O-N 3.05Å
76	Q	92.9	Very high	88.4	Confident	133 Å²	133	63.4 Å²	63.4	62%	0.621	33%	0.328	S	S	*	.	H	α-helix	trans	-68	-44.6	179.6	-174	-174.6	-72.9	0	0	110.6	D74 V79 M80	D74-Q76 VanDerWaalsContact C-N 3.26Å; D74-Q76 PolarHBondContact O-N 2.99Å; D74-Q76 WeakPolarHBondContact OD1-CA 3.36Å; D74-Q76 VanDerWaalsContact OD1-CB 3.24Å; D74-Q76 WeakPolarHBondContact OD1-CB 3.35Å; D74-Q76 PolarHBondContact OD1-N 3.21Å; Q76-V79 PolarHBondContact O-N 3.02Å; Q76-M80 HydrophobicContact CG-CE 4.36Å; Q76-M80 WeakPolarHBondContact O-CG 3.32Å; Q76-M80 PolarHBondContact O-N 3.41Å
77	E	92.4	Very high	88.3	Confident	7 Å²	7	64 Å²	64	3%	0.033	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-43.1	175.5	-73	175.3	143.4	0	0	111.8	L65 L67 N68 V73 D74 M80 L81	L65-E77 WeakPolarHBondContact O-CB 3.47Å; L67-E77 HydrophobicContact CB-CG 4.38Å; L67-E77 HydrophobicContact CD1-CG 4.36Å; L67-E77 HydrophobicContact CG-CG 4.49Å; L67-E77 PolarHBondContact N-OE1 3.07Å; N68-E77 PolarHBondContact N-OE1 3.41Å; N68-E77 VanDerWaalsContact N-OE1 3.07Å; V73-E77 WeakPolarHBondContact CA-OE2 3.49Å; V73-E77 HydrophobicContact CG1-CB 3.84Å; D74-E77 PolarHBondContact N-OE2 3.06Å; D74-E77 PolarHBondContact O-N 2.89Å; D74-E77 PolarHBondContact OD1-N 3.22Å; E77-M80 PolarHBondContact O-N 3.26Å; E77-L81 PolarHBondContact O-N 3.03Å; E77-L81 VanDerWaalsContact O-N 3.07Å
78	F	91.2	Very high	88	Confident	8 Å²	8	61.3 Å²	61.3	4%	0.035	33%	0.326	C	S	.	.	H	α-helix	trans	-57.1	-50.9	172.4	168.9	-107.2	0	0	0	112.2	L15 T18 F19 L40 V73 D74 F75 M80 L81 I82	L15-F78 HydrophobicContact CB-CE1 4.31Å; L15-F78 HydrophobicContact CD2-CE1 4.3Å; L15-F78 HydrophobicContact CD2-CZ 4.45Å; L15-F78 WeakPolarHBondContact O-CE1 3.24Å; T18-F78 HydrophobicContact CG2-CZ 4.42Å; F19-F78 HydrophobicContact CB-CD1 4.08Å; F19-F78 HydrophobicContact CB-CE1 4.09Å; F19-F78 HydrophobicContact CD2-CB 3.76Å; F19-F78 AromaticContact CD2-CD1 3.81Å; F19-F78 HydrophobicContact CD2-CD1 3.81Å; F19-F78 HydrophobicContact CD2-CD2 4.43Å; F19-F78 AromaticContact CD2-CG 3.73Å; F19-F78 HydrophobicContact CD2-CG 3.73Å; F19-F78 HydrophobicContact CE2-CB 3.97Å; F19-F78 HydrophobicContact CE2-CG 4.43Å; F19-F78 HydrophobicContact CG-CD1 4.37Å; L40-F78 HydrophobicContact CD1-CD2 4.17Å; L40-F78 HydrophobicContact CD1-CE2 3.77Å; L40-F78 HydrophobicContact CD2-CE2 4.14Å; V73-F78 HydrophobicContact CG1-CB 4.34Å; D74-F78 WeakPolarHBondContact O-CB 3.37Å; D74-F78 PolarHBondContact O-N 3.34Å; F75-F78 HydrophobicContact CD2-CD1 4.08Å; F75-F78 HydrophobicContact CE2-CD1 4.04Å; F75-F78 HydrophobicContact CE2-CE1 4.37Å; F75-F78 PolarHBondContact O-N 2.93Å; F78-M80 VanDerWaalsContact C-N 3.32Å; F78-M80 PolarHBondContact O-N 3.14Å; F78-L81 WeakPolarHBondContact O-CB 3.48Å; F78-L81 PolarHBondContact O-N 3.4Å; F78-I82 HydrophobicContact CE1-CG1 4.41Å; F78-I82 HydrophobicContact CE2-CD1 4.14Å; F78-I82 HydrophobicContact CE2-CG1 4.14Å; F78-I82 HydrophobicContact CZ-CD1 4.28Å; F78-I82 HydrophobicContact CZ-CG1 4.04Å; F78-I82 PolarHBondContact O-N 3.36Å
79	V	92	Very high	87.6	Confident	41 Å²	41	63.9 Å²	63.9	25%	0.248	34%	0.338	C	S	.	.	H	α-helix	trans	-63.6	-39	-180	171.6	0	0	0	0	111.3	F75 Q76 L81 I82 V83	F75-V79 HydrophobicContact CD1-CG2 4.19Å; F75-V79 HydrophobicContact CD2-CG2 4.37Å; F75-V79 HydrophobicContact CE1-CG2 3.71Å; F75-V79 HydrophobicContact CE2-CG2 3.91Å; F75-V79 HydrophobicContact CZ-CG2 3.55Å; F75-V79 VanDerWaalsContact O-CG2 3.32Å; F75-V79 WeakPolarHBondContact O-CG2 3.13Å; F75-V79 PolarHBondContact O-N 3.05Å; Q76-V79 PolarHBondContact O-N 3.02Å; V79-L81 VanDerWaalsContact C-N 3.31Å; V79-L81 PolarHBondContact O-N 3.29Å; V79-I82 PolarHBondContact O-N 3.02Å; V79-I82 VanDerWaalsContact O-N 3.15Å; V79-V83 WeakPolarHBondContact O-CG2 3.41Å; V79-V83 PolarHBondContact O-N 3.35Å
80	M	88.8	Confident	87.3	Confident	78 Å²	78	59.5 Å²	59.5	38%	0.384	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-37.9	175.8	-80.4	-157.3	-76.7	0	0	112.7	L67 Q76 E77 F78 V83 V84	L67-M80 HydrophobicContact CD1-CE 3.14Å; L67-M80 HydrophobicContact CD1-SD 4.15Å; Q76-M80 HydrophobicContact CG-CE 4.36Å; Q76-M80 WeakPolarHBondContact O-CG 3.32Å; Q76-M80 PolarHBondContact O-N 3.41Å; E77-M80 PolarHBondContact O-N 3.26Å; F78-M80 VanDerWaalsContact C-N 3.32Å; F78-M80 PolarHBondContact O-N 3.14Å; M80-V83 WeakPolarHBondContact O-CB 3.48Å; M80-V83 PolarHBondContact O-N 2.87Å; M80-V84 WeakPolarHBondContact O-CG2 3.32Å; M80-V84 PolarHBondContact O-N 3.42Å
81	L	85.5	Confident	86.6	Confident	19 Å²	19	58.5 Å²	58.5	10%	0.099	33%	0.334	C	S	.	.	H	α-helix	trans	-60.8	-46.5	172.2	177.9	74.7	0	0	0	111.5	L65 E77 F78 V79 V83 V84 L85	L65-L81 HydrophobicContact CD1-CD2 3.91Å; L65-L81 HydrophobicContact CD2-CB 3.33Å; L65-L81 HydrophobicContact CD2-CD1 4.25Å; L65-L81 HydrophobicContact CD2-CD2 3.53Å; L65-L81 HydrophobicContact CD2-CG 3.84Å; L65-L81 HydrophobicContact CG-CB 4.29Å; L65-L81 HydrophobicContact CG-CD1 4.34Å; L65-L81 HydrophobicContact CG-CD2 3.84Å; L65-L81 HydrophobicContact CG-CG 4.36Å; E77-L81 PolarHBondContact O-N 3.03Å; E77-L81 VanDerWaalsContact O-N 3.07Å; F78-L81 WeakPolarHBondContact O-CB 3.48Å; F78-L81 PolarHBondContact O-N 3.4Å; V79-L81 VanDerWaalsContact C-N 3.31Å; V79-L81 PolarHBondContact O-N 3.29Å; L81-V83 PolarHBondContact O-N 3.42Å; L81-V84 PolarHBondContact O-N 3.4Å; L81-V84 VanDerWaalsContact O-N 3.11Å; L81-L85 HydrophobicContact CD1-CD1 4.25Å; L81-L85 HydrophobicContact CD1-CG 4.17Å; L81-L85 HydrophobicContact CD2-CD1 4.05Å; L81-L85 HydrophobicContact CG-CD1 3.81Å; L81-L85 HydrophobicContact CG-CG 4.11Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 WeakPolarHBondContact O-CG 3.26Å; L81-L85 PolarHBondContact O-N 2.91Å
82	I	88.1	Confident	85.5	Confident	34 Å²	34	62.4 Å²	62.4	17%	0.174	34%	0.336	C	S	.	.	H	α-helix	trans	-60.4	-38.4	179.5	-59.4	-57.1	0	0	0	110.8	L15 F78 V79 L85 T86	L15-I82 HydrophobicContact CD2-CB 4.46Å; L15-I82 HydrophobicContact CD2-CG1 4.09Å; L15-I82 HydrophobicContact CD2-CG2 4.02Å; F78-I82 HydrophobicContact CE1-CG1 4.41Å; F78-I82 HydrophobicContact CE2-CD1 4.14Å; F78-I82 HydrophobicContact CE2-CG1 4.14Å; F78-I82 HydrophobicContact CZ-CD1 4.28Å; F78-I82 HydrophobicContact CZ-CG1 4.04Å; F78-I82 PolarHBondContact O-N 3.36Å; V79-I82 PolarHBondContact O-N 3.02Å; V79-I82 VanDerWaalsContact O-N 3.15Å; I82-L85 PolarHBondContact O-N 3.04Å; I82-T86 WeakPolarHBondContact O-CB 3.45Å; I82-T86 PolarHBondContact O-N 3.41Å; I82-T86 PolarHBondContact O-OG1 3.21Å
83	V	88.1	Confident	83.9	Confident	84 Å²	84	67.8 Å²	67.8	51%	0.509	36%	0.359	S	S	.	.	H	α-helix	trans	-58.8	-51.7	172.4	171.1	0	0	0	0	110.9	V79 M80 L81 L85 T86 C87	V79-V83 WeakPolarHBondContact O-CG2 3.41Å; V79-V83 PolarHBondContact O-N 3.35Å; M80-V83 WeakPolarHBondContact O-CB 3.48Å; M80-V83 PolarHBondContact O-N 2.87Å; L81-V83 PolarHBondContact O-N 3.42Å; V83-L85 PolarHBondContact O-N 3.27Å; V83-T86 PolarHBondContact O-N 2.86Å; V83-C87 WeakPolarHBondContact O-CB 3.38Å; V83-C87 PolarHBondContact O-N 2.92Å
84	V	83.4	Confident	81.9	Confident	88 Å²	88	73.5 Å²	73.5	53%	0.533	40%	0.398	S	S	.	.	H	α-helix	trans	-59.6	-45.7	179.8	172.2	0	0	0	0	111.6	M80 L81 C87 A88	M80-V84 WeakPolarHBondContact O-CG2 3.32Å; M80-V84 PolarHBondContact O-N 3.42Å; L81-V84 PolarHBondContact O-N 3.4Å; L81-V84 VanDerWaalsContact O-N 3.11Å; V84-C87 WeakPolarHBondContact O-CB 3.39Å; V84-C87 PolarHBondContact O-N 3.01Å; V84-A88 WeakPolarHBondContact O-CB 3.48Å; V84-A88 PolarHBondContact O-N 3.26Å
85	L	81.3	Confident	79.5	Confident	19 Å²	19	84.5 Å²	84.5	10%	0.099	44%	0.443	C	S	.	.	H	α-helix	trans	-64.6	-43.6	178.7	-70	178.2	0	0	0	111.9	L45 L48 L81 I82 V83 C87 A88 I89	L45-L85 HydrophobicContact CD1-CD1 3.92Å; L48-L85 HydrophobicContact CD1-CD1 3.77Å; L48-L85 HydrophobicContact CD1-CD2 3.87Å; L48-L85 HydrophobicContact CD1-CG 4.35Å; L48-L85 HydrophobicContact CD2-CD2 3.51Å; L48-L85 HydrophobicContact CG-CD2 4.34Å; L81-L85 HydrophobicContact CD1-CD1 4.25Å; L81-L85 HydrophobicContact CD1-CG 4.17Å; L81-L85 HydrophobicContact CD2-CD1 4.05Å; L81-L85 HydrophobicContact CG-CD1 3.81Å; L81-L85 HydrophobicContact CG-CG 4.11Å; L81-L85 WeakPolarHBondContact O-CB 3.48Å; L81-L85 WeakPolarHBondContact O-CG 3.26Å; L81-L85 PolarHBondContact O-N 2.91Å; I82-L85 PolarHBondContact O-N 3.04Å; V83-L85 PolarHBondContact O-N 3.27Å; L85-C87 VanDerWaalsContact C-N 3.32Å; L85-C87 PolarHBondContact O-N 3.23Å; L85-A88 PolarHBondContact O-N 2.88Å; L85-I89 WeakPolarHBondContact O-CB 3.34Å; L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.34Å; L85-I89 PolarHBondContact O-N 3.49Å
86	T	86.3	Confident	78.8	Confident	83 Å²	83	84.9 Å²	84.9	51%	0.509	45%	0.449	S	S	.	.	H	α-helix	trans	-61	-44.4	177.9	-59.8	0	0	0	0	110.7	I82 V83 H90	I82-T86 WeakPolarHBondContact O-CB 3.45Å; I82-T86 PolarHBondContact O-N 3.41Å; I82-T86 PolarHBondContact O-OG1 3.21Å; V83-T86 PolarHBondContact O-N 2.86Å; T86-H90 WeakPolarHBondContact O-CB 3.31Å; T86-H90 PolarHBondContact O-N 3.42Å
87	C	83.3	Confident	78	Confident	32 Å²	32	82.3 Å²	82.3	22%	0.216	44%	0.44	C	S	.	.	H	α-helix	trans	-59.4	-47.1	173.6	-82.5	0	0	0	0	112.3	V83 V84 L85 G91 R92	V83-C87 WeakPolarHBondContact O-CB 3.38Å; V83-C87 PolarHBondContact O-N 2.92Å; V84-C87 WeakPolarHBondContact O-CB 3.39Å; V84-C87 PolarHBondContact O-N 3.01Å; L85-C87 VanDerWaalsContact C-N 3.32Å; L85-C87 PolarHBondContact O-N 3.23Å; C87-G91 CarbonylContact O-C 3.53Å; C87-G91 PolarHBondContact O-N 3Å; C87-R92 WeakPolarHBondContact CB-O 3.43Å; C87-R92 CarbonylContact O-C 3.57Å; C87-R92 PolarHBondContact O-N 2.69Å; C87-R92 PolarHBondContact SG-O 3.38Å
88	A	79.4	Confident	77.3	Confident	46 Å²	46	86.5 Å²	86.5	38%	0.38	46%	0.462	S	S	.	.	H	α-helix	trans	-64.1	-44.8	179.7	0	0	0	0	0	112.4	V84 L85 G91 F93	V84-A88 WeakPolarHBondContact O-CB 3.48Å; V84-A88 PolarHBondContact O-N 3.26Å; L85-A88 PolarHBondContact O-N 2.88Å; A88-G91 PolarHBondContact O-N 3.49Å; A88-F93 HydrophobicContact CB-CE1 4.46Å; A88-F93 HydrophobicContact CB-CZ 4.09Å
89	I	78.6	Confident	76.4	Confident	136 Å²	136	91.1 Å²	91.1	70%	0.697	49%	0.487	S	S	*	.	H	α-helix	trans	-65.7	-42.7	179.4	-69.2	165.5	0	0	0	111.1	L85 G91	L85-I89 WeakPolarHBondContact O-CB 3.34Å; L85-I89 VanDerWaalsContact O-CG1 3.26Å; L85-I89 WeakPolarHBondContact O-CG1 3.34Å; L85-I89 PolarHBondContact O-N 3.49Å; I89-G91 VanDerWaalsContact C-N 3.26Å; I89-G91 PolarHBondContact O-N 2.9Å
90	H	78.9	Confident	75.5	Confident	119 Å²	119	94.3 Å²	94.3	55%	0.551	50%	0.502	S	S	*	.	H	α-helix	trans	-73.8	-19.5	177.7	-167.3	-50.4	0	0	0	111.9	T86 R92	T86-H90 WeakPolarHBondContact O-CB 3.31Å; T86-H90 PolarHBondContact O-N 3.42Å; H90-R92 VanDerWaalsContact C-N 3.3Å; H90-R92 HydrophobicContact CB-CG 4.48Å; H90-R92 PolarHBondContact CE1-NE 2.79Å; H90-R92 WeakPolarHBondContact ND1-CG 3.28Å; H90-R92 PolarHBondContact ND1-NE 3.11Å; H90-R92 PolarHBondContact NE2-NE 3.12Å; H90-R92 VanDerWaalsContact NE2-NE 3.14Å; H90-R92 PolarHBondContact NE2-NH2 2.92Å
91	G	74.1	Confident	74.6	Confident	56 Å²	56	95.3 Å²	95.3	58%	0.577	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	19.3	-170.4	0	0	0	0	0	113.5	C87 A88 I89 F93	C87-G91 CarbonylContact O-C 3.53Å; C87-G91 PolarHBondContact O-N 3Å; A88-G91 PolarHBondContact O-N 3.49Å; I89-G91 VanDerWaalsContact C-N 3.26Å; I89-G91 PolarHBondContact O-N 2.9Å; G91-F93 PolarHBondContact O-N 3.18Å
92	R	64.4	Low	73.8	Confident	164 Å²	164	100.8 Å²	100.8	62%	0.619	54%	0.539	S	S	*	.			trans	-95.7	75.3	170.5	-70.1	-177.4	-163.7	-131.4	3.7	108.9	C87 H90 C94	C87-R92 WeakPolarHBondContact CB-O 3.43Å; C87-R92 CarbonylContact O-C 3.57Å; C87-R92 PolarHBondContact O-N 2.69Å; C87-R92 PolarHBondContact SG-O 3.38Å; H90-R92 VanDerWaalsContact C-N 3.3Å; H90-R92 HydrophobicContact CB-CG 4.48Å; H90-R92 PolarHBondContact CE1-NE 2.79Å; H90-R92 WeakPolarHBondContact ND1-CG 3.28Å; H90-R92 PolarHBondContact ND1-NE 3.11Å; H90-R92 PolarHBondContact NE2-NE 3.12Å; H90-R92 VanDerWaalsContact NE2-NE 3.14Å; H90-R92 PolarHBondContact NE2-NH2 2.92Å; R92-C94 PolarHBondContact O-N 3.28Å
93	F	55.2	Low	72.7	Confident	152 Å²	152	105.9 Å²	105.9	67%	0.667	57%	0.568	S	S	*	*			trans	-69.6	125.5	160.6	-71.6	-79.3	0	0	0	107.8	A88 G91 K95	A88-F93 HydrophobicContact CB-CE1 4.46Å; A88-F93 HydrophobicContact CB-CZ 4.09Å; G91-F93 PolarHBondContact O-N 3.18Å; F93-K95 PolarHBondContact O-N 3.32Å
94	C	50.5	Low	71.4	Confident	120 Å²	120	107.8 Å²	107.8	81%	0.811	57%	0.572	S	S	*	*			trans	-59.7	112.8	164.3	-66.5	0	0	0	0	106.7	R92	R92-C94 PolarHBondContact O-N 3.28Å
95	K	41.5	Very low	70.3	Confident	278 Å²	278	109.5 Å²	109.5	100%	1.209	58%	0.576	S	S	*	*			trans	-65.4	0	165.3	-76.2	-177.4	177.2	174.2	0	109.8	F93	F93-K95 PolarHBondContact O-N 3.32Å

Retrieved 95 of 95 residues in 139.9 ms (Link to these results)

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