S10A6_HUMAN Loading...

Protein S100-A6

May function as calcium sensor and modulator, contributing to cellular calcium signaling. May function by interacting with other proteins, such as TPR-containing proteins, and indirectly play a role in many physiological processes such as the reorganization of the actin cytoskeleton and in cell motility. Binds 2 calcium ions. Calcium binding is cooperative. (Microbial infection) Facilitates attachment and invasion of Toxoplasma gondii parasites.

AlphaFold DB , UniProt , Accession P06703, Species HUMAN (Homo sapiens, Human), Gene S100A6, Length 90 aa.

						>S10A6_HUMAN|P06703|S100A6
MACPLDQAIGLLVAIFHKYSGREGDKHTLSKKELKELIQKELTIGSKLQDAEIARLMEDLDRNKDQEVNFQEYVTFLGALALIYNEALKG
					

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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	57	Low	88.2	Confident	245 Å²	245	98.2 Å²	98.2	100%	1.207	57%	0.569	S	S	*	*				0	102.1	0	-151.6	140.3	159.3	0	0	105.3
2	A	77	Confident	88.7	Confident	53 Å²	53	95.8 Å²	95.8	44%	0.438	55%	0.552	S	S	.	*			trans	-69.8	148.8	177.3	0	0	0	0	0	108.8	D6 Q7	A2-D6 HydrophobicContact CB-CB 4.34Å; A2-Q7 HydrophobicContact CB-CG 3.75Å
3	C	91.2	Very high	89.1	Confident	76 Å²	76	92.2 Å²	92.2	51%	0.514	53%	0.532	S	S	.	.			trans	-60.8	146.7	175.7	-63.8	0	0	0	0	109.3	L5 D6 Q7	C3-L5 PolarHBondContact O-N 3.31Å; C3-L5 VanDerWaalsContact O-N 3.07Å; C3-D6 HydrophobicContact CB-CB 4.38Å; C3-D6 WeakPolarHBondContact CB-OD2 3.3Å; C3-D6 WeakPolarHBondContact O-CB 3.41Å; C3-D6 PolarHBondContact O-N 2.96Å; C3-Q7 PolarHBondContact O-N 3.48Å
4	P	92.4	Very high	89.4	Confident	108 Å²	108	89.6 Å²	89.6	70%	0.701	53%	0.527	S	S	*	.	H	α-helix	trans	-53.3	-34.8	-179.3	-28.2	35	0	0	0	113.6	Q7 A8	P4-Q7 PolarHBondContact O-N 3Å; P4-A8 PolarHBondContact O-N 3.11Å
5	L	92	Very high	89.7	Confident	120 Å²	120	86.1 Å²	86.1	63%	0.628	51%	0.505	S	S	*	.	H	α-helix	trans	-71	-40.9	176.2	-174.9	59.4	0	0	0	112.7	C3 Q7 A8 I9	C3-L5 PolarHBondContact O-N 3.31Å; C3-L5 VanDerWaalsContact O-N 3.07Å; L5-Q7 PolarHBondContact O-N 3.34Å; L5-A8 PolarHBondContact O-N 2.98Å; L5-I9 HydrophobicContact CD1-CD1 4.4Å; L5-I9 HydrophobicContact CD1-CG1 4.46Å; L5-I9 HydrophobicContact CG-CD1 4.05Å; L5-I9 WeakPolarHBondContact O-CG1 3.45Å; L5-I9 PolarHBondContact O-N 2.87Å
6	D	93	Very high	90	Very high	92 Å²	92	80.8 Å²	80.8	49%	0.492	47%	0.473	S	S	.	.	H	α-helix	trans	-61.7	-37.6	174.5	-65.6	-30.7	0	0	0	110.9	A2 C3 G10	A2-D6 HydrophobicContact CB-CB 4.34Å; C3-D6 HydrophobicContact CB-CB 4.38Å; C3-D6 WeakPolarHBondContact CB-OD2 3.3Å; C3-D6 WeakPolarHBondContact O-CB 3.41Å; C3-D6 PolarHBondContact O-N 2.96Å; D6-G10 PolarHBondContact O-N 3.07Å
7	Q	93.7	Very high	90.2	Very high	106 Å²	106	81.8 Å²	81.8	50%	0.495	47%	0.472	S	S	.	.	H	α-helix	trans	-64.9	-44.2	174.6	-65.3	-179.8	-55.3	0	0	111.3	A2 C3 P4 L5 G10 L11	A2-Q7 HydrophobicContact CB-CG 3.75Å; C3-Q7 PolarHBondContact O-N 3.48Å; P4-Q7 PolarHBondContact O-N 3Å; L5-Q7 PolarHBondContact O-N 3.34Å; Q7-G10 PolarHBondContact O-N 3.49Å; Q7-L11 VanDerWaalsContact O-CG 3.31Å; Q7-L11 WeakPolarHBondContact O-CG 3.39Å; Q7-L11 PolarHBondContact O-N 3.19Å
8	A	92.6	Very high	90.3	Very high	44 Å²	44	83.4 Å²	83.4	36%	0.364	47%	0.473	S	S	.	.	H	α-helix	trans	-61.6	-48	176.3	0	0	0	0	0	111.4	P4 L5 G10 L11 L12	P4-A8 PolarHBondContact O-N 3.11Å; L5-A8 PolarHBondContact O-N 2.98Å; A8-G10 VanDerWaalsContact C-N 3.33Å; A8-G10 PolarHBondContact O-N 3.35Å; A8-L11 WeakPolarHBondContact O-CB 3.49Å; A8-L11 PolarHBondContact O-N 3.45Å; A8-L11 VanDerWaalsContact O-N 3.16Å; A8-L12 WeakPolarHBondContact O-CG 3.44Å; A8-L12 PolarHBondContact O-N 3.03Å
9	I	93.6	Very high	90.5	Very high	87 Å²	87	79.2 Å²	79.2	45%	0.446	45%	0.449	S	S	.	.	H	α-helix	trans	-59.4	-46	176.3	-66.4	166.9	0	0	0	110.4	L5 L11 L12 V13	L5-I9 HydrophobicContact CD1-CD1 4.4Å; L5-I9 HydrophobicContact CD1-CG1 4.46Å; L5-I9 HydrophobicContact CG-CD1 4.05Å; L5-I9 WeakPolarHBondContact O-CG1 3.45Å; L5-I9 PolarHBondContact O-N 2.87Å; I9-L11 VanDerWaalsContact C-N 3.28Å; I9-L11 PolarHBondContact O-N 3.38Å; I9-L12 PolarHBondContact O-N 3.05Å; I9-L12 VanDerWaalsContact O-N 3.16Å; I9-V13 HydrophobicContact CG2-CG2 4.43Å; I9-V13 WeakPolarHBondContact O-CG2 3.33Å; I9-V13 PolarHBondContact O-N 2.94Å
10	G	94.2	Very high	90.5	Very high	38 Å²	38	75.9 Å²	75.9	39%	0.392	43%	0.43	S	S	.	.	H	α-helix	trans	-58.6	-38.3	176.5	0	0	0	0	0	112.9	D6 Q7 A8 A14	D6-G10 PolarHBondContact O-N 3.07Å; Q7-G10 PolarHBondContact O-N 3.49Å; A8-G10 VanDerWaalsContact C-N 3.33Å; A8-G10 PolarHBondContact O-N 3.35Å; G10-A14 VanDerWaalsContact O-CB 3.25Å; G10-A14 WeakPolarHBondContact O-CB 3.44Å; G10-A14 PolarHBondContact O-N 3.18Å
11	L	93.9	Very high	90.3	Very high	111 Å²	111	73.4 Å²	73.4	58%	0.581	42%	0.422	S	S	*	.	H	α-helix	trans	-66.6	-43.1	174.5	-73	170.6	0	0	0	112.1	Q7 A8 I9 V13 A14 I15	Q7-L11 VanDerWaalsContact O-CG 3.31Å; Q7-L11 WeakPolarHBondContact O-CG 3.39Å; Q7-L11 PolarHBondContact O-N 3.19Å; A8-L11 WeakPolarHBondContact O-CB 3.49Å; A8-L11 PolarHBondContact O-N 3.45Å; A8-L11 VanDerWaalsContact O-N 3.16Å; I9-L11 VanDerWaalsContact C-N 3.28Å; I9-L11 PolarHBondContact O-N 3.38Å; L11-V13 VanDerWaalsContact C-N 3.33Å; L11-V13 PolarHBondContact O-N 2.87Å; L11-A14 PolarHBondContact O-N 3.39Å; L11-I15 WeakPolarHBondContact O-CB 3.16Å; L11-I15 VanDerWaalsContact O-CG1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.3Å; L11-I15 PolarHBondContact O-N 3.27Å
12	L	93.5	Very high	91.7	Very high	70 Å²	70	67.3 Å²	67.3	37%	0.366	39%	0.386	S	S	.	.	H	α-helix	trans	-60.2	-44.3	176.9	-63.4	173.3	0	0	0	111.3	A8 I9 I15 F16 L77	A8-L12 WeakPolarHBondContact O-CG 3.44Å; A8-L12 PolarHBondContact O-N 3.03Å; I9-L12 PolarHBondContact O-N 3.05Å; I9-L12 VanDerWaalsContact O-N 3.16Å; L12-I15 PolarHBondContact O-N 2.86Å; L12-F16 PolarHBondContact O-N 3.28Å; L12-F16 VanDerWaalsContact O-N 3.08Å; L12-L77 HydrophobicContact CB-CD1 4.1Å; L12-L77 HydrophobicContact CD1-CD1 4.08Å; L12-L77 HydrophobicContact CD2-CD1 3.73Å; L12-L77 HydrophobicContact CD2-CD2 4.26Å; L12-L77 HydrophobicContact CG-CD1 4.15Å
13	V	94.4	Very high	91.7	Very high	48 Å²	48	70.2 Å²	70.2	29%	0.291	39%	0.39	S	S	.	.	H	α-helix	trans	-64.3	-45.3	176.2	175.1	0	0	0	0	111.2	I9 L11 I15 F16 H17 F70	I9-V13 HydrophobicContact CG2-CG2 4.43Å; I9-V13 WeakPolarHBondContact O-CG2 3.33Å; I9-V13 PolarHBondContact O-N 2.94Å; L11-V13 VanDerWaalsContact C-N 3.33Å; L11-V13 PolarHBondContact O-N 2.87Å; V13-I15 VanDerWaalsContact C-N 3.34Å; V13-I15 PolarHBondContact O-N 2.87Å; V13-F16 WeakPolarHBondContact O-CB 3.31Å; V13-F16 PolarHBondContact O-N 3.16Å; V13-H17 PolarHBondContact O-CD2 2.94Å; V13-H17 VanDerWaalsContact O-CD2 3.29Å; V13-H17 PolarHBondContact O-N 3.36Å; V13-F70 HydrophobicContact CG2-CE2 4.1Å; V13-F70 HydrophobicContact CG2-CZ 3.7Å
14	A	93.5	Very high	91	Very high	56 Å²	56	68.7 Å²	68.7	46%	0.463	39%	0.387	S	S	.	.	H	α-helix	trans	-65	-37.9	179.9	0	0	0	0	0	112.4	G10 L11 H17 K18	G10-A14 VanDerWaalsContact O-CB 3.25Å; G10-A14 WeakPolarHBondContact O-CB 3.44Å; G10-A14 PolarHBondContact O-N 3.18Å; L11-A14 PolarHBondContact O-N 3.39Å; A14-H17 PolarHBondContact O-N 3Å; A14-K18 VanDerWaalsContact O-CB 3.31Å; A14-K18 WeakPolarHBondContact O-CB 3.46Å; A14-K18 PolarHBondContact O-N 3.33Å
15	I	94.3	Very high	90.7	Very high	37 Å²	37	67.2 Å²	67.2	19%	0.19	37%	0.373	C	S	.	.	H	α-helix	trans	-63.4	-47.3	174.7	-71.8	165.6	0	0	0	109.8	L11 L12 V13 H17 K18 Y19 L37 E41	L11-I15 WeakPolarHBondContact O-CB 3.16Å; L11-I15 VanDerWaalsContact O-CG1 3.24Å; L11-I15 WeakPolarHBondContact O-CG1 3.3Å; L11-I15 PolarHBondContact O-N 3.27Å; L12-I15 PolarHBondContact O-N 2.86Å; V13-I15 VanDerWaalsContact C-N 3.34Å; V13-I15 PolarHBondContact O-N 2.87Å; I15-H17 PolarHBondContact O-N 3.25Å; I15-K18 WeakPolarHBondContact O-CB 3.44Å; I15-K18 PolarHBondContact O-N 3.47Å; I15-K18 VanDerWaalsContact O-N 3.15Å; I15-Y19 HydrophobicContact CG2-CD2 4.29Å; I15-Y19 HydrophobicContact CG2-CE2 4.25Å; I15-Y19 VanDerWaalsContact O-CD2 3.27Å; I15-Y19 WeakPolarHBondContact O-CD2 3.1Å; I15-Y19 PolarHBondContact O-N 2.85Å; I15-L37 HydrophobicContact CG2-CD1 4.02Å; I15-L37 HydrophobicContact CG2-CG 4.07Å; I15-E41 HydrophobicContact CG2-CB 4.45Å; I15-E41 HydrophobicContact CG2-CG 3.83Å
16	F	94.1	Very high	90.4	Very high	1 Å²	1	68.7 Å²	68.7	0%	0.004	38%	0.375	C	S	.	.	H	α-helix	trans	-53.6	-53.6	175.7	-178.1	-95.2	0	0	0	111.5	L12 V13 K18 Y19 S20 H27 L29 F70 Y73	L12-F16 PolarHBondContact O-N 3.28Å; L12-F16 VanDerWaalsContact O-N 3.08Å; V13-F16 WeakPolarHBondContact O-CB 3.31Å; V13-F16 PolarHBondContact O-N 3.16Å; F16-K18 PolarHBondContact O-N 2.91Å; F16-Y19 PolarHBondContact O-N 3.34Å; F16-Y19 VanDerWaalsContact O-N 3.08Å; F16-S20 PolarHBondContact O-N 3.43Å; F16-S20 PolarHBondContact O-OG 3.41Å; F16-H27 VanDerWaalsContact CZ-O 3.31Å; F16-H27 WeakPolarHBondContact CZ-O 3.43Å; F16-L29 HydrophobicContact CD2-CD1 3.55Å; F16-L29 HydrophobicContact CD2-CG 3.99Å; F16-L29 HydrophobicContact CE2-CD1 3.51Å; F16-L29 HydrophobicContact CE2-CG 3.62Å; F16-L29 HydrophobicContact CZ-CG 4.24Å; F16-F70 HydrophobicContact CB-CD2 4.25Å; F16-F70 HydrophobicContact CB-CE2 4.25Å; F16-F70 AromaticContact CD1-CD2 3.73Å; F16-F70 HydrophobicContact CD1-CD2 3.73Å; F16-F70 HydrophobicContact CD1-CE2 4.44Å; F16-F70 HydrophobicContact CD2-CD2 4.11Å; F16-F70 HydrophobicContact CE1-CB 4.2Å; F16-F70 HydrophobicContact CE1-CD2 4.05Å; F16-F70 HydrophobicContact CE2-CD2 4.39Å; F16-F70 AromaticContact CG-CD2 3.76Å; F16-F70 HydrophobicContact CG-CD2 3.76Å; F16-F70 HydrophobicContact CG-CE2 4.25Å; F16-F70 HydrophobicContact CZ-CB 4.13Å; F16-F70 HydrophobicContact CZ-CD2 4.36Å; F16-Y73 HydrophobicContact CB-CD1 4.02Å; F16-Y73 HydrophobicContact CB-CE1 3.75Å; F16-Y73 AromaticContact CD2-CD1 3.48Å; F16-Y73 HydrophobicContact CD2-CD1 3.48Å; F16-Y73 VanDerWaalsContact CD2-CD1 3.48Å; F16-Y73 AromaticContact CD2-CD2 3.97Å; F16-Y73 HydrophobicContact CD2-CD2 3.97Å; F16-Y73 HydrophobicContact CD2-CE1 4Å; F16-Y73 HydrophobicContact CD2-CE2 4.45Å; F16-Y73 AromaticContact CD2-CG 3.45Å; F16-Y73 HydrophobicContact CD2-CG 3.45Å; F16-Y73 VanDerWaalsContact CD2-CG 3.45Å; F16-Y73 HydrophobicContact CE2-CD1 4.3Å; F16-Y73 AromaticContact CE2-CG 3.96Å; F16-Y73 HydrophobicContact CE2-CG 3.96Å; F16-Y73 HydrophobicContact CG-CD1 4.07Å; F16-Y73 HydrophobicContact CG-CE1 4.3Å; F16-Y73 HydrophobicContact CG-CG 4.45Å
17	H	92.8	Very high	90.2	Very high	98 Å²	98	70.2 Å²	70.2	45%	0.454	38%	0.379	S	S	.	.	H	α-helix	trans	-67.3	-18.9	-179.6	-77	-64.9	0	0	0	115.1	V13 A14 I15 Y19 S20	V13-H17 PolarHBondContact O-CD2 2.94Å; V13-H17 VanDerWaalsContact O-CD2 3.29Å; V13-H17 PolarHBondContact O-N 3.36Å; A14-H17 PolarHBondContact O-N 3Å; I15-H17 PolarHBondContact O-N 3.25Å; H17-Y19 VanDerWaalsContact C-N 3.31Å; H17-S20 WeakPolarHBondContact CA-OG 3.4Å
18	K	93.2	Very high	90.2	Very high	112 Å²	112	65.8 Å²	65.8	49%	0.487	36%	0.359	S	S	.	.	H	α-helix	trans	-71.9	-28.2	173.8	175.9	-174.1	172.4	-166.3	0	111.8	A14 I15 F16 R22 E41	A14-K18 VanDerWaalsContact O-CB 3.31Å; A14-K18 WeakPolarHBondContact O-CB 3.46Å; A14-K18 PolarHBondContact O-N 3.33Å; I15-K18 WeakPolarHBondContact O-CB 3.44Å; I15-K18 PolarHBondContact O-N 3.47Å; I15-K18 VanDerWaalsContact O-N 3.15Å; F16-K18 PolarHBondContact O-N 2.91Å; K18-R22 PolarHBondContact O-NE 3.29Å; K18-R22 PolarHBondContact O-NH2 2.84Å; K18-E41 IonicContact NZ-OE1 2.87Å; K18-E41 PolarHBondContact NZ-OE1 3.42Å
19	Y	92.7	Very high	90.2	Very high	3 Å²	3	63.7 Å²	63.7	1%	0.012	34%	0.342	C	S	.	.	H	α-helix	trans	-104.7	-29.8	-178.9	-68.6	-84.6	0	0	0	113.1	I15 F16 H17 E33 E36 L37 K40 E41	I15-Y19 HydrophobicContact CG2-CD2 4.29Å; I15-Y19 HydrophobicContact CG2-CE2 4.25Å; I15-Y19 VanDerWaalsContact O-CD2 3.27Å; I15-Y19 WeakPolarHBondContact O-CD2 3.1Å; I15-Y19 PolarHBondContact O-N 2.85Å; F16-Y19 PolarHBondContact O-N 3.34Å; F16-Y19 VanDerWaalsContact O-N 3.08Å; H17-Y19 VanDerWaalsContact C-N 3.31Å; Y19-E33 VanDerWaalsContact O-CG 3.32Å; Y19-E33 WeakPolarHBondContact O-CG 3.48Å; Y19-E36 HydrophobicContact CD1-CB 3.99Å; Y19-E36 HydrophobicContact CE1-CB 3.94Å; Y19-L37 HydrophobicContact CD1-CB 4.19Å; Y19-L37 HydrophobicContact CD2-CB 3.82Å; Y19-L37 HydrophobicContact CD2-CD1 3.92Å; Y19-L37 HydrophobicContact CD2-CG 3.82Å; Y19-L37 HydrophobicContact CE2-CB 4.2Å; Y19-L37 HydrophobicContact CE2-CG 4.17Å; Y19-L37 HydrophobicContact CG-CB 3.84Å; Y19-L37 HydrophobicContact CG-CD1 4.33Å; Y19-L37 HydrophobicContact CG-CG 4.32Å; Y19-K40 HydrophobicContact CE1-CD 4.06Å; Y19-K40 VanDerWaalsContact OH-CB 3.31Å; Y19-K40 WeakPolarHBondContact OH-CB 3.46Å; Y19-E41 HydrophobicContact CE2-CG 3.6Å; Y19-E41 VanDerWaalsContact CE2-OE1 3.22Å; Y19-E41 WeakPolarHBondContact CE2-OE1 3.36Å; Y19-E41 PolarHBondContact OH-OE1 2.91Å
20	S	91.9	Very high	90.1	Very high	12 Å²	12	60.5 Å²	60.5	8%	0.084	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	146.1	178.2	69.7	0	0	0	0	112.5	F16 H17 R22 K26 T28	F16-S20 PolarHBondContact O-N 3.43Å; F16-S20 PolarHBondContact O-OG 3.41Å; H17-S20 WeakPolarHBondContact CA-OG 3.4Å; S20-R22 PolarHBondContact O-N 3.17Å; S20-K26 WeakPolarHBondContact CB-O 3.35Å; S20-K26 PolarHBondContact OG-O 2.9Å; S20-T28 WeakPolarHBondContact CA-O 3.33Å; S20-T28 WeakPolarHBondContact CB-O 3.43Å
21	G	85.9	Confident	89.9	Confident	25 Å²	25	63.7 Å²	63.7	26%	0.258	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	17.4	173.9	0	0	0	0	0	116.6	D25 E33	G21-D25 VanDerWaalsContact CA-O 3.23Å; G21-D25 WeakPolarHBondContact CA-O 3.36Å; G21-D25 PolarHBondContact N-O 3.06Å; G21-E33 PolarHBondContact N-OE1 2.94Å
22	R	85.2	Confident	89.7	Confident	117 Å²	117	63.7 Å²	63.7	44%	0.442	33%	0.325	S	S	.	.	S	Bend	trans	-77.3	-33.5	171.5	-66.1	-176.9	-179.5	175.5	5.2	111.9	K18 S20 E33 E36	K18-R22 PolarHBondContact O-NE 3.29Å; K18-R22 PolarHBondContact O-NH2 2.84Å; S20-R22 PolarHBondContact O-N 3.17Å; R22-E33 VanDerWaalsContact CA-OE1 3.32Å; R22-E33 WeakPolarHBondContact CA-OE1 3.34Å; R22-E33 HydrophobicContact CB-CG 4.32Å; R22-E33 WeakPolarHBondContact CB-OE1 3.49Å; R22-E33 PolarHBondContact N-OE1 3.13Å; R22-E36 IonicContact NH1-OE1 3.74Å; R22-E36 IonicContact NH1-OE2 3.33Å; R22-E36 PolarHBondContact NH1-OE2 2.92Å
23	E	77.9	Confident	89.7	Confident	114 Å²	114	60.5 Å²	60.5	53%	0.533	31%	0.308	S	S	.	.	S	Bend	trans	-119.2	-18.6	179.1	-67.4	-169.8	140	0	0	114	K32 E33	E23-K32 VanDerWaalsContact CD-CD 3.44Å; E23-K32 WeakPolarHBondContact OE1-CD 3.48Å; E23-K32 IonicContact OE1-NZ 2.67Å; E23-K32 PolarHBondContact OE1-NZ 3.1Å; E23-K32 WeakPolarHBondContact OE2-CB 3.32Å; E23-K32 WeakPolarHBondContact OE2-CD 3.48Å; E23-E33 PolarHBondContact N-OE1 3.24Å
24	G	77	Confident	89.5	Confident	43 Å²	43	58.2 Å²	58.2	44%	0.443	30%	0.295	S	S	.	.	S	Bend	trans	-149.2	-132.2	-170.6	0	0	0	0	0	113.9
25	D	85.1	Confident	89.4	Confident	78 Å²	78	57.9 Å²	57.9	42%	0.417	28%	0.283	S	S	.	.			trans	-67.3	138.4	179	-165.7	-48.1	0	0	0	110.7	G21 H27 T28	G21-D25 VanDerWaalsContact CA-O 3.23Å; G21-D25 WeakPolarHBondContact CA-O 3.36Å; G21-D25 PolarHBondContact N-O 3.06Å; D25-H27 PolarHBondContact O-N 3.45Å; D25-H27 WeakPolarHBondContact OD1-CB 3.24Å; D25-H27 IonicContact OD1-CD2 3.67Å; D25-H27 PolarHBondContact OD1-CD2 2.99Å; D25-H27 IonicContact OD1-CG 2.76Å; D25-H27 PolarHBondContact OD1-N 3.29Å; D25-T28 HydrophobicContact CB-CG2 4.41Å; D25-T28 WeakPolarHBondContact CB-OG1 3.47Å; D25-T28 PolarHBondContact O-N 3.08Å
26	K	85.7	Confident	89.2	Confident	150 Å²	150	58.5 Å²	58.5	65%	0.652	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-10.4	179.6	-64.8	179	-179.9	177.7	0	113.3	S20	S20-K26 WeakPolarHBondContact CB-O 3.35Å; S20-K26 PolarHBondContact OG-O 2.9Å
27	H	89.8	Confident	89.2	Confident	125 Å²	125	58.6 Å²	58.6	58%	0.579	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	0.6	-176.3	-59.1	-68.7	0	0	0	113.6	F16 D25	F16-H27 VanDerWaalsContact CZ-O 3.31Å; F16-H27 WeakPolarHBondContact CZ-O 3.43Å; D25-H27 PolarHBondContact O-N 3.45Å; D25-H27 WeakPolarHBondContact OD1-CB 3.24Å; D25-H27 IonicContact OD1-CD2 3.67Å; D25-H27 PolarHBondContact OD1-CD2 2.99Å; D25-H27 IonicContact OD1-CG 2.76Å; D25-H27 PolarHBondContact OD1-N 3.29Å
28	T	93.2	Very high	89	Confident	13 Å²	13	54 Å²	54	8%	0.08	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	161.9	178.2	67.9	0	0	0	0	110.6	S20 D25 E67 V68 N69	S20-T28 WeakPolarHBondContact CA-O 3.33Å; S20-T28 WeakPolarHBondContact CB-O 3.43Å; D25-T28 HydrophobicContact CB-CG2 4.41Å; D25-T28 WeakPolarHBondContact CB-OG1 3.47Å; D25-T28 PolarHBondContact O-N 3.08Å; T28-E67 WeakPolarHBondContact CB-OE2 3.25Å; T28-E67 HydrophobicContact CG2-CB 4.26Å; T28-E67 WeakPolarHBondContact CG2-OE2 3.4Å; T28-E67 PolarHBondContact OG1-OE2 2.84Å; T28-V68 CarbonylContact C-O 3.55Å; T28-V68 WeakPolarHBondContact CA-O 3.36Å; T28-N69 HydrophobicContact CG2-CB 4.23Å
29	L	93.3	Very high	88.8	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.4	172.6	-68.9	166.9	0	0	0	109.1	F16 E33 L34 L37 E67 V68 Y73	F16-L29 HydrophobicContact CD2-CD1 3.55Å; F16-L29 HydrophobicContact CD2-CG 3.99Å; F16-L29 HydrophobicContact CE2-CD1 3.51Å; F16-L29 HydrophobicContact CE2-CG 3.62Å; F16-L29 HydrophobicContact CZ-CG 4.24Å; L29-E33 WeakPolarHBondContact CA-OE2 3.38Å; L29-E33 HydrophobicContact CB-CB 4.37Å; L29-E33 HydrophobicContact CD2-CB 3.79Å; L29-L34 HydrophobicContact CB-CB 4.35Å; L29-L34 HydrophobicContact CD1-CD1 4.26Å; L29-L37 HydrophobicContact CD1-CD1 3.83Å; L29-E67 CarbonylContact O-C 3.56Å; L29-E67 WeakPolarHBondContact O-CA 3.45Å; L29-V68 HydrophobicContact CB-CB 4.26Å; L29-V68 PolarHBondContact N-O 2.89Å; L29-V68 PolarHBondContact O-N 3.19Å; L29-Y73 HydrophobicContact CD1-CD2 4.08Å
30	S	91.7	Very high	88.7	Confident	19 Å²	19	58.2 Å²	58.2	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	164.7	166.7	87.7	0	0	0	0	110.8	K32 E33 L34	S30-K32 PolarHBondContact O-N 3.49Å; S30-K32 VanDerWaalsContact O-N 3.11Å; S30-K32 PolarHBondContact OG-N 2.86Å; S30-E33 PolarHBondContact N-OE2 3.4Å; S30-E33 PolarHBondContact O-N 3.16Å; S30-E33 VanDerWaalsContact O-N 3.1Å; S30-E33 WeakPolarHBondContact OG-CG 3.31Å; S30-E33 PolarHBondContact OG-N 3.11Å; S30-L34 WeakPolarHBondContact O-CB 3.23Å; S30-L34 PolarHBondContact O-N 2.99Å
31	K	89.2	Confident	88.7	Confident	105 Å²	105	60.8 Å²	60.8	46%	0.457	29%	0.294	S	S	.	.	H	α-helix	trans	-46.9	-42.6	171.6	-171.6	162.8	-177.1	169.1	0	113.3	K35 M57	K31-K35 VanDerWaalsContact O-CB 3.28Å; K31-K35 WeakPolarHBondContact O-CB 3.41Å; K31-K35 PolarHBondContact O-N 3.07Å; K31-M57 WeakPolarHBondContact CA-SD 3.28Å; K31-M57 HydrophobicContact CB-CE 3.78Å; K31-M57 HydrophobicContact CB-SD 3.25Å; K31-M57 WeakPolarHBondContact CB-SD 3.42Å; K31-M57 HydrophobicContact CD-SD 3.67Å; K31-M57 HydrophobicContact CG-SD 3.36Å; K31-M57 WeakPolarHBondContact CG-SD 3.45Å
32	K	90.1	Very high	88.7	Confident	111 Å²	111	61 Å²	61	48%	0.483	29%	0.289	S	S	.	.	H	α-helix	trans	-74.3	-41.8	-176.6	-169.8	-167.6	-177.9	177.1	0	110.9	E23 S30 K35 E36	E23-K32 VanDerWaalsContact CD-CD 3.44Å; E23-K32 WeakPolarHBondContact OE1-CD 3.48Å; E23-K32 IonicContact OE1-NZ 2.67Å; E23-K32 PolarHBondContact OE1-NZ 3.1Å; E23-K32 WeakPolarHBondContact OE2-CB 3.32Å; E23-K32 WeakPolarHBondContact OE2-CD 3.48Å; S30-K32 PolarHBondContact O-N 3.49Å; S30-K32 VanDerWaalsContact O-N 3.11Å; S30-K32 PolarHBondContact OG-N 2.86Å; K32-K35 WeakPolarHBondContact O-CB 3.41Å; K32-K35 PolarHBondContact O-N 3.49Å; K32-E36 WeakPolarHBondContact O-CG 3.27Å; K32-E36 PolarHBondContact O-N 3.03Å
33	E	92.5	Very high	88.5	Confident	3 Å²	3	60.8 Å²	60.8	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-65.1	-43.9	177.7	-67	170	163	0	0	111.1	Y19 G21 R22 E23 L29 S30 E36 L37	Y19-E33 VanDerWaalsContact O-CG 3.32Å; Y19-E33 WeakPolarHBondContact O-CG 3.48Å; G21-E33 PolarHBondContact N-OE1 2.94Å; R22-E33 VanDerWaalsContact CA-OE1 3.32Å; R22-E33 WeakPolarHBondContact CA-OE1 3.34Å; R22-E33 HydrophobicContact CB-CG 4.32Å; R22-E33 WeakPolarHBondContact CB-OE1 3.49Å; R22-E33 PolarHBondContact N-OE1 3.13Å; E23-E33 PolarHBondContact N-OE1 3.24Å; L29-E33 WeakPolarHBondContact CA-OE2 3.38Å; L29-E33 HydrophobicContact CB-CB 4.37Å; L29-E33 HydrophobicContact CD2-CB 3.79Å; S30-E33 PolarHBondContact N-OE2 3.4Å; S30-E33 PolarHBondContact O-N 3.16Å; S30-E33 VanDerWaalsContact O-N 3.1Å; S30-E33 WeakPolarHBondContact OG-CG 3.31Å; S30-E33 PolarHBondContact OG-N 3.11Å; E33-E36 PolarHBondContact O-N 3.5Å; E33-L37 WeakPolarHBondContact O-CB 3.38Å; E33-L37 PolarHBondContact O-N 3.28Å
34	L	91.2	Very high	88.6	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-44.4	173.6	-179.5	65.3	0	0	0	111.4	L29 S30 E36 L37 I38 M57 L60 V68	L29-L34 HydrophobicContact CB-CB 4.35Å; L29-L34 HydrophobicContact CD1-CD1 4.26Å; S30-L34 WeakPolarHBondContact O-CB 3.23Å; S30-L34 PolarHBondContact O-N 2.99Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 2.91Å; L34-L37 PolarHBondContact O-N 2.85Å; L34-I38 HydrophobicContact CD1-CD1 3.93Å; L34-I38 HydrophobicContact CD1-CG1 4.21Å; L34-I38 HydrophobicContact CD2-CD1 4.45Å; L34-I38 HydrophobicContact CG-CD1 3.84Å; L34-I38 HydrophobicContact CG-CG1 4.46Å; L34-I38 WeakPolarHBondContact O-CB 3.33Å; L34-I38 WeakPolarHBondContact O-CG1 3.29Å; L34-I38 PolarHBondContact O-N 2.95Å; L34-M57 HydrophobicContact CD2-CB 4.11Å; L34-M57 HydrophobicContact CD2-CG 4.31Å; L34-L60 HydrophobicContact CD2-CD1 4.2Å; L34-V68 HydrophobicContact CD2-CG2 4.03Å
35	K	89.8	Confident	88.6	Confident	49 Å²	49	56.2 Å²	56.2	21%	0.213	27%	0.27	C	S	.	.	H	α-helix	trans	-55.4	-50.1	174.4	174.3	175.4	-176.1	-172	0	111.3	K31 K32 L37 I38 Q39 D50 I53	K31-K35 VanDerWaalsContact O-CB 3.28Å; K31-K35 WeakPolarHBondContact O-CB 3.41Å; K31-K35 PolarHBondContact O-N 3.07Å; K32-K35 WeakPolarHBondContact O-CB 3.41Å; K32-K35 PolarHBondContact O-N 3.49Å; K35-L37 VanDerWaalsContact C-N 3.35Å; K35-L37 PolarHBondContact O-N 3.31Å; K35-I38 PolarHBondContact O-N 3.29Å; K35-Q39 VanDerWaalsContact CE-NE2 3.31Å; K35-Q39 HydrophobicContact CG-CG 4.44Å; K35-Q39 WeakPolarHBondContact O-CB 3.41Å; K35-Q39 VanDerWaalsContact O-CG 3.27Å; K35-Q39 WeakPolarHBondContact O-CG 3.31Å; K35-Q39 PolarHBondContact O-N 3.48Å; K35-D50 WeakPolarHBondContact CE-OD1 3.39Å; K35-D50 IonicContact NZ-OD1 2.6Å; K35-D50 PolarHBondContact NZ-OD1 2.93Å; K35-D50 IonicContact NZ-OD2 2.81Å; K35-D50 PolarHBondContact NZ-OD2 2.94Å; K35-I53 HydrophobicContact CB-CD1 4.32Å; K35-I53 HydrophobicContact CB-CG2 3.88Å; K35-I53 HydrophobicContact CD-CD1 4.4Å; K35-I53 HydrophobicContact CG-CD1 3.73Å; K35-I53 HydrophobicContact CG-CG2 4.36Å
36	E	91.6	Very high	88.2	Confident	50 Å²	50	57.2 Å²	57.2	23%	0.234	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-42.8	178.9	-73.6	-158.7	99.5	0	0	112.2	Y19 R22 K32 E33 L34 Q39 K40	Y19-E36 HydrophobicContact CD1-CB 3.99Å; Y19-E36 HydrophobicContact CE1-CB 3.94Å; R22-E36 IonicContact NH1-OE1 3.74Å; R22-E36 IonicContact NH1-OE2 3.33Å; R22-E36 PolarHBondContact NH1-OE2 2.92Å; K32-E36 WeakPolarHBondContact O-CG 3.27Å; K32-E36 PolarHBondContact O-N 3.03Å; E33-E36 PolarHBondContact O-N 3.5Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 2.91Å; E36-Q39 PolarHBondContact O-N 3.41Å; E36-K40 VanDerWaalsContact O-CB 3.24Å; E36-K40 WeakPolarHBondContact O-CB 3.12Å; E36-K40 WeakPolarHBondContact O-CG 3.22Å; E36-K40 PolarHBondContact O-N 3.3Å; E36-K40 IonicContact OE1-NZ 2.84Å; E36-K40 PolarHBondContact OE1-NZ 3.46Å
37	L	92.7	Very high	88	Confident	3 Å²	3	58.5 Å²	58.5	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-57.4	-52.9	176.9	-176.5	160.2	0	0	0	110.1	I15 Y19 L29 E33 L34 K35 Q39 K40 E41 Y73	I15-L37 HydrophobicContact CG2-CD1 4.02Å; I15-L37 HydrophobicContact CG2-CG 4.07Å; Y19-L37 HydrophobicContact CD1-CB 4.19Å; Y19-L37 HydrophobicContact CD2-CB 3.82Å; Y19-L37 HydrophobicContact CD2-CD1 3.92Å; Y19-L37 HydrophobicContact CD2-CG 3.82Å; Y19-L37 HydrophobicContact CE2-CB 4.2Å; Y19-L37 HydrophobicContact CE2-CG 4.17Å; Y19-L37 HydrophobicContact CG-CB 3.84Å; Y19-L37 HydrophobicContact CG-CD1 4.33Å; Y19-L37 HydrophobicContact CG-CG 4.32Å; L29-L37 HydrophobicContact CD1-CD1 3.83Å; E33-L37 WeakPolarHBondContact O-CB 3.38Å; E33-L37 PolarHBondContact O-N 3.28Å; L34-L37 PolarHBondContact O-N 2.85Å; K35-L37 VanDerWaalsContact C-N 3.35Å; K35-L37 PolarHBondContact O-N 3.31Å; L37-Q39 VanDerWaalsContact C-N 3.35Å; L37-Q39 PolarHBondContact O-N 3.17Å; L37-K40 PolarHBondContact O-N 3.42Å; L37-E41 HydrophobicContact CG-CG 4.35Å; L37-E41 VanDerWaalsContact O-CB 3.23Å; L37-E41 WeakPolarHBondContact O-CB 3.24Å; L37-E41 WeakPolarHBondContact O-CG 3.31Å; L37-E41 PolarHBondContact O-N 3.48Å; L37-Y73 HydrophobicContact CD1-CD2 4.48Å; L37-Y73 HydrophobicContact CD1-CE2 3.71Å; L37-Y73 HydrophobicContact CD2-CE2 4.08Å
38	I	89.8	Confident	87.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.8	-46.1	-178.8	-70.5	171.6	0	0	0	110.5	L34 K35 K40 L42 G45 L48 L56 F76	L34-I38 HydrophobicContact CD1-CD1 3.93Å; L34-I38 HydrophobicContact CD1-CG1 4.21Å; L34-I38 HydrophobicContact CD2-CD1 4.45Å; L34-I38 HydrophobicContact CG-CD1 3.84Å; L34-I38 HydrophobicContact CG-CG1 4.46Å; L34-I38 WeakPolarHBondContact O-CB 3.33Å; L34-I38 WeakPolarHBondContact O-CG1 3.29Å; L34-I38 PolarHBondContact O-N 2.95Å; K35-I38 PolarHBondContact O-N 3.29Å; I38-K40 VanDerWaalsContact C-N 3.35Å; I38-K40 PolarHBondContact O-N 3.04Å; I38-L42 HydrophobicContact CB-CD1 4.49Å; I38-L42 HydrophobicContact CG1-CD1 4.23Å; I38-L42 HydrophobicContact CG2-CD1 4.32Å; I38-L42 WeakPolarHBondContact O-CB 3.2Å; I38-L42 PolarHBondContact O-N 2.83Å; I38-L42 VanDerWaalsContact O-N 3.11Å; I38-G45 WeakPolarHBondContact O-CA 3.47Å; I38-L48 HydrophobicContact CG2-CD1 3.83Å; I38-L56 HydrophobicContact CD1-CD2 3.39Å; I38-F76 HydrophobicContact CD1-CE1 4.3Å; I38-F76 HydrophobicContact CD1-CZ 4.06Å; I38-F76 HydrophobicContact CG1-CE1 4.16Å; I38-F76 HydrophobicContact CG1-CZ 4.2Å
39	Q	89.1	Confident	87.2	Confident	80 Å²	80	61 Å²	61	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-67.7	-31.9	-177.9	-72.8	-175.9	-22.9	0	0	113.8	K35 E36 L37 I53	K35-Q39 VanDerWaalsContact CE-NE2 3.31Å; K35-Q39 HydrophobicContact CG-CG 4.44Å; K35-Q39 WeakPolarHBondContact O-CB 3.41Å; K35-Q39 VanDerWaalsContact O-CG 3.27Å; K35-Q39 WeakPolarHBondContact O-CG 3.31Å; K35-Q39 PolarHBondContact O-N 3.48Å; E36-Q39 PolarHBondContact O-N 3.41Å; L37-Q39 VanDerWaalsContact C-N 3.35Å; L37-Q39 PolarHBondContact O-N 3.17Å; Q39-I53 HydrophobicContact CG-CD1 4.25Å
40	K	90.6	Very high	86.8	Confident	124 Å²	124	65.8 Å²	65.8	54%	0.539	33%	0.326	S	S	.	.	H	α-helix	trans	-95.6	-33.8	-175.1	-70.7	174.2	174.5	168.8	0	113.6	Y19 E36 L37 I38	Y19-K40 HydrophobicContact CE1-CD 4.06Å; Y19-K40 VanDerWaalsContact OH-CB 3.31Å; Y19-K40 WeakPolarHBondContact OH-CB 3.46Å; E36-K40 VanDerWaalsContact O-CB 3.24Å; E36-K40 WeakPolarHBondContact O-CB 3.12Å; E36-K40 WeakPolarHBondContact O-CG 3.22Å; E36-K40 PolarHBondContact O-N 3.3Å; E36-K40 IonicContact OE1-NZ 2.84Å; E36-K40 PolarHBondContact OE1-NZ 3.46Å; L37-K40 PolarHBondContact O-N 3.42Å; I38-K40 VanDerWaalsContact C-N 3.35Å; I38-K40 PolarHBondContact O-N 3.04Å
41	E	90.7	Very high	86.7	Confident	67 Å²	67	67.5 Å²	67.5	31%	0.313	34%	0.341	S	S	.	.	H	α-helix	trans	-101.8	-22.4	-172.8	-52.2	-67.5	160.4	0	0	112.3	I15 K18 Y19 L37	I15-E41 HydrophobicContact CG2-CB 4.45Å; I15-E41 HydrophobicContact CG2-CG 3.83Å; K18-E41 IonicContact NZ-OE1 2.87Å; K18-E41 PolarHBondContact NZ-OE1 3.42Å; Y19-E41 HydrophobicContact CE2-CG 3.6Å; Y19-E41 VanDerWaalsContact CE2-OE1 3.22Å; Y19-E41 WeakPolarHBondContact CE2-OE1 3.36Å; Y19-E41 PolarHBondContact OH-OE1 2.91Å; L37-E41 HydrophobicContact CG-CG 4.35Å; L37-E41 VanDerWaalsContact O-CB 3.23Å; L37-E41 WeakPolarHBondContact O-CB 3.24Å; L37-E41 WeakPolarHBondContact O-CG 3.31Å; L37-E41 PolarHBondContact O-N 3.48Å
42	L	86.3	Confident	86.6	Confident	28 Å²	28	66.4 Å²	66.4	15%	0.147	34%	0.338	C	S	.	.			trans	-111.2	130.4	178.4	-56.5	174.3	0	0	0	111.5	I38 I44 G45 F76 L80	I38-L42 HydrophobicContact CB-CD1 4.49Å; I38-L42 HydrophobicContact CG1-CD1 4.23Å; I38-L42 HydrophobicContact CG2-CD1 4.32Å; I38-L42 WeakPolarHBondContact O-CB 3.2Å; I38-L42 PolarHBondContact O-N 2.83Å; I38-L42 VanDerWaalsContact O-N 3.11Å; L42-I44 HydrophobicContact CB-CG1 3.93Å; L42-I44 PolarHBondContact O-N 3.25Å; L42-G45 PolarHBondContact O-N 3.34Å; L42-F76 HydrophobicContact CD1-CE1 4.02Å; L42-F76 HydrophobicContact CD1-CZ 4.01Å; L42-L80 HydrophobicContact CD1-CD1 3.51Å; L42-L80 HydrophobicContact CD2-CD1 4.14Å
43	T	82	Confident	86.4	Confident	114 Å²	114	61.2 Å²	61.2	70%	0.699	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-59.2	-34.5	176.8	50.4	0	0	0	0	112.6	G45 S46	T43-G45 PolarHBondContact O-N 3.43Å; T43-S46 PolarHBondContact O-OG 3.25Å
44	I	79.5	Confident	86.2	Confident	61 Å²	61	61.7 Å²	61.7	31%	0.313	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-68.9	-21.1	175.2	60.3	167.1	0	0	0	113.1	L42 S46 K47 L48 L80	L42-I44 HydrophobicContact CB-CG1 3.93Å; L42-I44 PolarHBondContact O-N 3.25Å; I44-S46 PolarHBondContact O-N 3.41Å; I44-K47 WeakPolarHBondContact O-CB 3.31Å; I44-K47 PolarHBondContact O-N 3.44Å; I44-L48 PolarHBondContact O-N 3.43Å; I44-L80 HydrophobicContact CD1-CD2 3.78Å
45	G	76.7	Confident	86.1	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-64.2	-29.3	-174.6	0	0	0	0	0	113.7	I38 L42 T43 K47 L48	I38-G45 WeakPolarHBondContact O-CA 3.47Å; L42-G45 PolarHBondContact O-N 3.34Å; T43-G45 PolarHBondContact O-N 3.43Å; G45-K47 PolarHBondContact O-N 3.27Å; G45-L48 PolarHBondContact O-N 2.96Å
46	S	76.9	Confident	86	Confident	99 Å²	99	68.2 Å²	68.2	69%	0.692	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-64.8	-20.3	172.5	59.5	0	0	0	0	113.9	T43 I44	T43-S46 PolarHBondContact O-OG 3.25Å; I44-S46 PolarHBondContact O-N 3.41Å
47	K	80.7	Confident	85.9	Confident	177 Å²	177	66.5 Å²	66.5	77%	0.77	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-93.6	-17	177.9	-59.4	-178.5	179.4	179	0	112.9	I44 G45	I44-K47 WeakPolarHBondContact O-CB 3.31Å; I44-K47 PolarHBondContact O-N 3.44Å; G45-K47 PolarHBondContact O-N 3.27Å
48	L	81	Confident	85.7	Confident	48 Å²	48	73.2 Å²	73.2	25%	0.251	37%	0.369	S	S	.	.			trans	-84.4	123.3	-178.4	-64.5	177.5	0	0	0	110.2	I38 I44 G45 E52 I53	I38-L48 HydrophobicContact CG2-CD1 3.83Å; I44-L48 PolarHBondContact O-N 3.43Å; G45-L48 PolarHBondContact O-N 2.96Å; L48-E52 HydrophobicContact CB-CB 4.48Å; L48-E52 HydrophobicContact CD2-CB 4.07Å; L48-I53 HydrophobicContact CB-CD1 4.2Å; L48-I53 HydrophobicContact CB-CG1 3.83Å
49	Q	85.2	Confident	85.7	Confident	143 Å²	143	79.1 Å²	79.1	67%	0.668	40%	0.401	S	S	*	.			trans	-78.4	162	173.4	-64.6	-174.9	-12	0	0	110.8	A51 E52 I53	Q49-A51 PolarHBondContact O-N 3.15Å; Q49-A51 VanDerWaalsContact O-N 3.11Å; Q49-E52 PolarHBondContact O-N 2.76Å; Q49-I53 WeakPolarHBondContact O-CG1 3.34Å; Q49-I53 PolarHBondContact O-N 2.94Å
50	D	86.2	Confident	85.7	Confident	99 Å²	99	76 Å²	76	53%	0.529	39%	0.386	S	S	.	.	H	α-helix	trans	-47.9	-38.8	173.6	-81.8	-94.8	0	0	0	113.7	K35 A54	K35-D50 WeakPolarHBondContact CE-OD1 3.39Å; K35-D50 IonicContact NZ-OD1 2.6Å; K35-D50 PolarHBondContact NZ-OD1 2.93Å; K35-D50 IonicContact NZ-OD2 2.81Å; K35-D50 PolarHBondContact NZ-OD2 2.94Å; D50-A54 VanDerWaalsContact O-CB 3.27Å; D50-A54 WeakPolarHBondContact O-CB 3.35Å; D50-A54 PolarHBondContact O-N 3.08Å
51	A	88.2	Confident	85.7	Confident	55 Å²	55	70.8 Å²	70.8	46%	0.455	37%	0.365	S	S	.	.	H	α-helix	trans	-66.8	-39.6	177.5	0	0	0	0	0	112.9	Q49 A54 R55	Q49-A51 PolarHBondContact O-N 3.15Å; Q49-A51 VanDerWaalsContact O-N 3.11Å; A51-A54 WeakPolarHBondContact O-CB 3.39Å; A51-A54 PolarHBondContact O-N 3.21Å; A51-R55 WeakPolarHBondContact O-CG 3.43Å; A51-R55 PolarHBondContact O-N 2.95Å
52	E	86.9	Confident	85.6	Confident	82 Å²	82	75.5 Å²	75.5	38%	0.383	38%	0.38	S	S	.	.	H	α-helix	trans	-72.8	-37.8	178.8	-64.7	-64.1	104.7	0	0	111.1	L48 Q49 A54 R55 L56	L48-E52 HydrophobicContact CB-CB 4.48Å; L48-E52 HydrophobicContact CD2-CB 4.07Å; Q49-E52 PolarHBondContact O-N 2.76Å; E52-A54 VanDerWaalsContact C-N 3.32Å; E52-R55 PolarHBondContact O-N 2.65Å; E52-R55 IonicContact OE1-CZ 3.83Å; E52-R55 IonicContact OE1-NH1 2.73Å; E52-R55 PolarHBondContact OE1-NH1 3.43Å; E52-L56 WeakPolarHBondContact O-CB 3.12Å; E52-L56 PolarHBondContact O-N 2.95Å
53	I	87.5	Confident	85.8	Confident	2 Å²	2	78.2 Å²	78.2	1%	0.01	39%	0.394	C	S	.	.	H	α-helix	trans	-67	-36.9	173.8	-61.5	175.7	0	0	0	110.7	K35 Q39 L48 Q49 L56 M57	K35-I53 HydrophobicContact CB-CD1 4.32Å; K35-I53 HydrophobicContact CB-CG2 3.88Å; K35-I53 HydrophobicContact CD-CD1 4.4Å; K35-I53 HydrophobicContact CG-CD1 3.73Å; K35-I53 HydrophobicContact CG-CG2 4.36Å; Q39-I53 HydrophobicContact CG-CD1 4.25Å; L48-I53 HydrophobicContact CB-CD1 4.2Å; L48-I53 HydrophobicContact CB-CG1 3.83Å; Q49-I53 WeakPolarHBondContact O-CG1 3.34Å; Q49-I53 PolarHBondContact O-N 2.94Å; I53-L56 PolarHBondContact O-N 3.49Å; I53-M57 WeakPolarHBondContact O-CB 3.27Å; I53-M57 PolarHBondContact O-N 3.12Å
54	A	88.5	Confident	86.1	Confident	13 Å²	13	81.2 Å²	81.2	11%	0.107	40%	0.398	C	S	.	.	H	α-helix	trans	-61.7	-47.8	173.7	0	0	0	0	0	111.8	D50 A51 E52 L56 M57 E58	D50-A54 VanDerWaalsContact O-CB 3.27Å; D50-A54 WeakPolarHBondContact O-CB 3.35Å; D50-A54 PolarHBondContact O-N 3.08Å; A51-A54 WeakPolarHBondContact O-CB 3.39Å; A51-A54 PolarHBondContact O-N 3.21Å; E52-A54 VanDerWaalsContact C-N 3.32Å; A54-L56 PolarHBondContact O-N 2.93Å; A54-M57 WeakPolarHBondContact O-CB 3.37Å; A54-M57 PolarHBondContact O-N 3.29Å; A54-E58 WeakPolarHBondContact O-CG 3.46Å; A54-E58 PolarHBondContact O-N 3.5Å
55	R	88.9	Confident	86.6	Confident	149 Å²	149	81.6 Å²	81.6	56%	0.562	40%	0.4	S	S	*	.	H	α-helix	trans	-59.8	-46.8	175.5	-73.8	172.1	173.8	175.8	-7.7	111.7	A51 E52 M57 E58 D59	A51-R55 WeakPolarHBondContact O-CG 3.43Å; A51-R55 PolarHBondContact O-N 2.95Å; E52-R55 PolarHBondContact O-N 2.65Å; E52-R55 IonicContact OE1-CZ 3.83Å; E52-R55 IonicContact OE1-NH1 2.73Å; E52-R55 PolarHBondContact OE1-NH1 3.43Å; R55-M57 VanDerWaalsContact C-N 3.26Å; R55-M57 PolarHBondContact O-N 3.21Å; R55-E58 WeakPolarHBondContact O-CA 3.32Å; R55-E58 WeakPolarHBondContact O-CB 3.45Å; R55-E58 PolarHBondContact O-N 3.45Å; R55-D59 PolarHBondContact O-N 2.9Å
56	L	87.5	Confident	87.1	Confident	38 Å²	38	88.8 Å²	88.8	20%	0.199	43%	0.434	C	S	.	.	H	α-helix	trans	-58.4	-41.8	177	179.2	65.9	0	0	0	111.4	I38 E52 I53 A54 D59 L60 F76	I38-L56 HydrophobicContact CD1-CD2 3.39Å; E52-L56 WeakPolarHBondContact O-CB 3.12Å; E52-L56 PolarHBondContact O-N 2.95Å; I53-L56 PolarHBondContact O-N 3.49Å; A54-L56 PolarHBondContact O-N 2.93Å; L56-D59 PolarHBondContact O-N 3.01Å; L56-L60 HydrophobicContact CD1-CD1 4.24Å; L56-L60 HydrophobicContact CD1-CG 4.29Å; L56-L60 HydrophobicContact CG-CD1 4.03Å; L56-L60 HydrophobicContact CG-CG 4.43Å; L56-L60 WeakPolarHBondContact O-CB 3.03Å; L56-L60 WeakPolarHBondContact O-CG 3.21Å; L56-L60 PolarHBondContact O-N 2.82Å; L56-F76 HydrophobicContact CD1-CD2 3.9Å; L56-F76 HydrophobicContact CD1-CE2 3.66Å; L56-F76 HydrophobicContact CD2-CD2 4.34Å; L56-F76 HydrophobicContact CD2-CE2 3.52Å; L56-F76 HydrophobicContact CD2-CZ 3.73Å; L56-F76 HydrophobicContact CG-CD2 4.49Å; L56-F76 HydrophobicContact CG-CE2 4.08Å
57	M	88.4	Confident	87.8	Confident	15 Å²	15	86.7 Å²	86.7	7%	0.074	41%	0.413	C	S	.	.	H	α-helix	trans	-61.6	-44.1	174.4	-176.1	-169.7	177.4	0	0	111.6	K31 L34 I53 A54 R55 D59 L60 D61 Q66 V68	K31-M57 WeakPolarHBondContact CA-SD 3.28Å; K31-M57 HydrophobicContact CB-CE 3.78Å; K31-M57 HydrophobicContact CB-SD 3.25Å; K31-M57 WeakPolarHBondContact CB-SD 3.42Å; K31-M57 HydrophobicContact CD-SD 3.67Å; K31-M57 HydrophobicContact CG-SD 3.36Å; K31-M57 WeakPolarHBondContact CG-SD 3.45Å; L34-M57 HydrophobicContact CD2-CB 4.11Å; L34-M57 HydrophobicContact CD2-CG 4.31Å; I53-M57 WeakPolarHBondContact O-CB 3.27Å; I53-M57 PolarHBondContact O-N 3.12Å; A54-M57 WeakPolarHBondContact O-CB 3.37Å; A54-M57 PolarHBondContact O-N 3.29Å; R55-M57 VanDerWaalsContact C-N 3.26Å; R55-M57 PolarHBondContact O-N 3.21Å; M57-D59 VanDerWaalsContact C-N 3.27Å; M57-D59 PolarHBondContact O-N 2.84Å; M57-L60 PolarHBondContact O-N 2.97Å; M57-L60 VanDerWaalsContact O-N 3.12Å; M57-D61 WeakPolarHBondContact O-CB 3.44Å; M57-D61 PolarHBondContact O-N 2.72Å; M57-Q66 HydrophobicContact CE-CB 4.44Å; M57-Q66 WeakPolarHBondContact CE-O 3.49Å; M57-V68 HydrophobicContact CG-CG2 4.29Å
58	E	89.8	Confident	88.4	Confident	144 Å²	144	78.2 Å²	78.2	67%	0.673	38%	0.376	S	S	*	.	H	α-helix	trans	-62	-33.3	176.5	-68.4	176.6	94.2	0	0	112.7	A54 R55	A54-E58 WeakPolarHBondContact O-CG 3.46Å; A54-E58 PolarHBondContact O-N 3.5Å; R55-E58 WeakPolarHBondContact O-CA 3.32Å; R55-E58 WeakPolarHBondContact O-CB 3.45Å; R55-E58 PolarHBondContact O-N 3.45Å
59	D	89	Confident	89	Confident	123 Å²	123	77.9 Å²	77.9	66%	0.658	38%	0.375	S	S	*	.	H	α-helix	trans	-72.5	-30.7	174.2	-79.2	-61.3	0	0	0	112.8	R55 L56 M57	R55-D59 PolarHBondContact O-N 2.9Å; L56-D59 PolarHBondContact O-N 3.01Å; M57-D59 VanDerWaalsContact C-N 3.27Å; M57-D59 PolarHBondContact O-N 2.84Å
60	L	90.1	Very high	89.4	Confident	14 Å²	14	74.9 Å²	74.9	7%	0.073	36%	0.36	C	S	.	.	H	α-helix	trans	-86.1	-39.7	-178.6	-67.8	179.1	0	0	0	113.3	L34 L56 M57 R62 V68 E72 F76	L34-L60 HydrophobicContact CD2-CD1 4.2Å; L56-L60 HydrophobicContact CD1-CD1 4.24Å; L56-L60 HydrophobicContact CD1-CG 4.29Å; L56-L60 HydrophobicContact CG-CD1 4.03Å; L56-L60 HydrophobicContact CG-CG 4.43Å; L56-L60 WeakPolarHBondContact O-CB 3.03Å; L56-L60 WeakPolarHBondContact O-CG 3.21Å; L56-L60 PolarHBondContact O-N 2.82Å; M57-L60 PolarHBondContact O-N 2.97Å; M57-L60 VanDerWaalsContact O-N 3.12Å; L60-R62 VanDerWaalsContact C-N 3.28Å; L60-R62 PolarHBondContact O-N 3.39Å; L60-V68 HydrophobicContact CB-CG2 4.15Å; L60-E72 WeakPolarHBondContact O-CB 3.36Å; L60-E72 WeakPolarHBondContact O-CG 3.25Å; L60-F76 HydrophobicContact CD1-CB 3.68Å; L60-F76 HydrophobicContact CD1-CD1 4.33Å; L60-F76 HydrophobicContact CD1-CD2 3.82Å; L60-F76 HydrophobicContact CD1-CG 3.68Å; L60-F76 HydrophobicContact CD2-CB 3.47Å; L60-F76 VanDerWaalsContact CD2-CB 3.47Å; L60-F76 HydrophobicContact CD2-CD2 4.1Å; L60-F76 HydrophobicContact CD2-CG 4.13Å; L60-F76 HydrophobicContact CG-CB 4.21Å; L60-F76 HydrophobicContact CG-CD2 4.45Å
61	D	90.7	Very high	89.7	Confident	16 Å²	16	77 Å²	77	9%	0.086	37%	0.367	C	S	.	.			trans	-72.1	78.8	177.9	177.2	12.2	0	0	0	110.1	M57 N63 K64 D65 Q66	M57-D61 WeakPolarHBondContact O-CB 3.44Å; M57-D61 PolarHBondContact O-N 2.72Å; D61-N63 PolarHBondContact OD1-OD1 3Å; D61-K64 PolarHBondContact O-N 3.45Å; D61-K64 WeakPolarHBondContact OD1-CA 3.42Å; D61-K64 PolarHBondContact OD1-N 2.9Å; D61-K64 WeakPolarHBondContact OD2-CA 3.4Å; D61-D65 PolarHBondContact OD1-N 3.22Å; D61-Q66 WeakPolarHBondContact OD2-CA 3.5Å; D61-Q66 PolarHBondContact OD2-N 3.08Å
62	R	87.8	Confident	89.9	Confident	166 Å²	166	74.7 Å²	74.7	63%	0.626	35%	0.346	S	S	*	.	S	Bend	trans	-76	-32.9	-173.2	-73.2	179.1	175.1	-177.4	-2.9	111.9	L60 K64 E72	L60-R62 VanDerWaalsContact C-N 3.28Å; L60-R62 PolarHBondContact O-N 3.39Å; R62-K64 VanDerWaalsContact C-N 3.31Å; R62-E72 PolarHBondContact N-OE1 3.46Å
63	N	90	Very high	90.2	Very high	85 Å²	85	71 Å²	71	46%	0.455	33%	0.329	S	S	.	.	S	Bend	trans	-83.7	-8.2	176.5	66.2	-9.8	0	0	0	112.6	D61 D65 E72	D61-N63 PolarHBondContact OD1-OD1 3Å; N63-D65 VanDerWaalsContact C-N 3.33Å; N63-D65 VanDerWaalsContact ND2-CG 3.32Å; N63-D65 PolarHBondContact ND2-OD2 3.5Å; N63-D65 VanDerWaalsContact OD1-CG 3.27Å; N63-D65 PolarHBondContact OD1-N 3.33Å; N63-D65 PolarHBondContact OD1-OD1 3.27Å; N63-D65 PolarHBondContact OD1-OD2 3.45Å; N63-E72 PolarHBondContact OD1-OE1 2.83Å
64	K	87.8	Confident	90.5	Very high	177 Å²	177	74.2 Å²	74.2	77%	0.77	35%	0.349	S	S	*	.			trans	62.7	36	177.2	-56	-170	176.7	-170	0	113.1	D61 R62 Q66	D61-K64 PolarHBondContact O-N 3.45Å; D61-K64 WeakPolarHBondContact OD1-CA 3.42Å; D61-K64 PolarHBondContact OD1-N 2.9Å; D61-K64 WeakPolarHBondContact OD2-CA 3.4Å; R62-K64 VanDerWaalsContact C-N 3.31Å; K64-Q66 VanDerWaalsContact C-N 3.31Å
65	D	90.7	Very high	90.7	Very high	69 Å²	69	76 Å²	76	37%	0.369	36%	0.358	S	S	.	.	S	Bend	trans	-88.1	-0.5	176.8	69.6	10.9	0	0	0	113.3	D61 N63 E67	D61-D65 PolarHBondContact OD1-N 3.22Å; N63-D65 VanDerWaalsContact C-N 3.33Å; N63-D65 VanDerWaalsContact ND2-CG 3.32Å; N63-D65 PolarHBondContact ND2-OD2 3.5Å; N63-D65 VanDerWaalsContact OD1-CG 3.27Å; N63-D65 PolarHBondContact OD1-N 3.33Å; N63-D65 PolarHBondContact OD1-OD1 3.27Å; N63-D65 PolarHBondContact OD1-OD2 3.45Å; D65-E67 PolarHBondContact O-N 2.86Å; D65-E67 WeakPolarHBondContact OD1-CA 3.34Å; D65-E67 WeakPolarHBondContact OD1-CB 3.48Å; D65-E67 PolarHBondContact OD1-N 3.46Å; D65-E67 VanDerWaalsContact OD1-O 3.04Å
66	Q	88	Confident	90.7	Very high	150 Å²	150	69.5 Å²	69.5	70%	0.701	33%	0.334	S	S	*	.	S	Bend	trans	66.2	19.2	-174.6	-55.1	171.1	93.4	0	0	113.8	M57 D61 K64	M57-Q66 HydrophobicContact CE-CB 4.44Å; M57-Q66 WeakPolarHBondContact CE-O 3.49Å; D61-Q66 WeakPolarHBondContact OD2-CA 3.5Å; D61-Q66 PolarHBondContact OD2-N 3.08Å; K64-Q66 VanDerWaalsContact C-N 3.31Å
67	E	91.7	Very high	90.9	Very high	55 Å²	55	69 Å²	69	26%	0.257	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	163.3	171.5	-52.9	-167.3	144	0	0	109.5	T28 L29 D65	T28-E67 WeakPolarHBondContact CB-OE2 3.25Å; T28-E67 HydrophobicContact CG2-CB 4.26Å; T28-E67 WeakPolarHBondContact CG2-OE2 3.4Å; T28-E67 PolarHBondContact OG1-OE2 2.84Å; L29-E67 CarbonylContact O-C 3.56Å; L29-E67 WeakPolarHBondContact O-CA 3.45Å; D65-E67 PolarHBondContact O-N 2.86Å; D65-E67 WeakPolarHBondContact OD1-CA 3.34Å; D65-E67 WeakPolarHBondContact OD1-CB 3.48Å; D65-E67 PolarHBondContact OD1-N 3.46Å; D65-E67 VanDerWaalsContact OD1-O 3.04Å
68	V	93.3	Very high	91.1	Very high	0 Å²	0	70 Å²	70	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	107.6	175.5	175.4	0	0	0	0	108	T28 L29 L34 M57 L60 E72	T28-V68 CarbonylContact C-O 3.55Å; T28-V68 WeakPolarHBondContact CA-O 3.36Å; L29-V68 HydrophobicContact CB-CB 4.26Å; L29-V68 PolarHBondContact N-O 2.89Å; L29-V68 PolarHBondContact O-N 3.19Å; L34-V68 HydrophobicContact CD2-CG2 4.03Å; M57-V68 HydrophobicContact CG-CG2 4.29Å; L60-V68 HydrophobicContact CB-CG2 4.15Å; V68-E72 WeakPolarHBondContact CA-OE2 3.46Å; V68-E72 HydrophobicContact CG1-CB 3.76Å
69	N	93.9	Very high	91.1	Very high	40 Å²	40	65.6 Å²	65.6	21%	0.214	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	171.7	177.2	66.4	57.2	0	0	0	111.3	T28 Q71 E72 Y73	T28-N69 HydrophobicContact CG2-CB 4.23Å; N69-Q71 PolarHBondContact O-N 3.29Å; N69-Q71 WeakPolarHBondContact OD1-CA 3.46Å; N69-Q71 VanDerWaalsContact OD1-CB 3.29Å; N69-Q71 WeakPolarHBondContact OD1-CB 2.89Å; N69-Q71 PolarHBondContact OD1-N 2.93Å; N69-E72 VanDerWaalsContact CG-OE2 3.23Å; N69-E72 PolarHBondContact N-OE2 2.94Å; N69-E72 VanDerWaalsContact ND2-CD 3.31Å; N69-E72 PolarHBondContact ND2-OE2 2.87Å; N69-E72 PolarHBondContact O-N 2.74Å; N69-E72 PolarHBondContact OD1-N 2.91Å; N69-E72 VanDerWaalsContact OD1-N 3.08Å; N69-Y73 WeakPolarHBondContact O-CB 3.41Å; N69-Y73 PolarHBondContact O-N 3.44Å
70	F	92.1	Very high	91	Very high	80 Å²	80	60.4 Å²	60.4	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-59.5	-33.4	-177.3	-171.4	-105.9	0	0	0	113.6	V13 F16 Y73 V74	V13-F70 HydrophobicContact CG2-CE2 4.1Å; V13-F70 HydrophobicContact CG2-CZ 3.7Å; F16-F70 HydrophobicContact CB-CD2 4.25Å; F16-F70 HydrophobicContact CB-CE2 4.25Å; F16-F70 AromaticContact CD1-CD2 3.73Å; F16-F70 HydrophobicContact CD1-CD2 3.73Å; F16-F70 HydrophobicContact CD1-CE2 4.44Å; F16-F70 HydrophobicContact CD2-CD2 4.11Å; F16-F70 HydrophobicContact CE1-CB 4.2Å; F16-F70 HydrophobicContact CE1-CD2 4.05Å; F16-F70 HydrophobicContact CE2-CD2 4.39Å; F16-F70 AromaticContact CG-CD2 3.76Å; F16-F70 HydrophobicContact CG-CD2 3.76Å; F16-F70 HydrophobicContact CG-CE2 4.25Å; F16-F70 HydrophobicContact CZ-CB 4.13Å; F16-F70 HydrophobicContact CZ-CD2 4.36Å; F70-Y73 HydrophobicContact CD2-CD1 4.21Å; F70-Y73 HydrophobicContact CE2-CD1 4.14Å; F70-Y73 PolarHBondContact O-N 3.33Å; F70-V74 HydrophobicContact CD1-CG2 4.09Å; F70-V74 HydrophobicContact CE1-CG2 3.6Å; F70-V74 HydrophobicContact CE2-CG2 4.15Å; F70-V74 HydrophobicContact CZ-CG2 3.62Å; F70-V74 VanDerWaalsContact O-CG2 3.32Å; F70-V74 WeakPolarHBondContact O-CG2 3.42Å; F70-V74 PolarHBondContact O-N 3.47Å
71	Q	92.9	Very high	90.9	Very high	145 Å²	145	62.4 Å²	62.4	68%	0.678	32%	0.324	S	S	*	.	H	α-helix	trans	-69.2	-40.6	179.7	-170	-177.8	-78.8	0	0	111.7	N69 V74 T75	N69-Q71 PolarHBondContact O-N 3.29Å; N69-Q71 WeakPolarHBondContact OD1-CA 3.46Å; N69-Q71 VanDerWaalsContact OD1-CB 3.29Å; N69-Q71 WeakPolarHBondContact OD1-CB 2.89Å; N69-Q71 PolarHBondContact OD1-N 2.93Å; Q71-V74 PolarHBondContact O-N 2.73Å; Q71-T75 PolarHBondContact O-N 2.98Å; Q71-T75 PolarHBondContact O-OG1 2.81Å
72	E	93.2	Very high	90.9	Very high	6 Å²	6	67 Å²	67	3%	0.028	35%	0.348	C	S	.	.	H	α-helix	trans	-68.2	-41.5	176	-67.9	166.7	152.9	0	0	111.1	L60 R62 N63 V68 N69 V74 T75 F76	L60-E72 WeakPolarHBondContact O-CB 3.36Å; L60-E72 WeakPolarHBondContact O-CG 3.25Å; R62-E72 PolarHBondContact N-OE1 3.46Å; N63-E72 PolarHBondContact OD1-OE1 2.83Å; V68-E72 WeakPolarHBondContact CA-OE2 3.46Å; V68-E72 HydrophobicContact CG1-CB 3.76Å; N69-E72 VanDerWaalsContact CG-OE2 3.23Å; N69-E72 PolarHBondContact N-OE2 2.94Å; N69-E72 VanDerWaalsContact ND2-CD 3.31Å; N69-E72 PolarHBondContact ND2-OE2 2.87Å; N69-E72 PolarHBondContact O-N 2.74Å; N69-E72 PolarHBondContact OD1-N 2.91Å; N69-E72 VanDerWaalsContact OD1-N 3.08Å; E72-V74 PolarHBondContact O-N 2.92Å; E72-T75 WeakPolarHBondContact O-CB 3.27Å; E72-T75 PolarHBondContact O-N 2.78Å; E72-T75 VanDerWaalsContact O-N 3.17Å; E72-F76 PolarHBondContact O-N 3.37Å
73	Y	93.3	Very high	90.8	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.016	34%	0.343	C	S	.	.	H	α-helix	trans	-59.2	-44.6	172.9	174.4	-106.5	0	0	0	113	F16 L29 L37 N69 F70 T75 F76 L77	F16-Y73 HydrophobicContact CB-CD1 4.02Å; F16-Y73 HydrophobicContact CB-CE1 3.75Å; F16-Y73 AromaticContact CD2-CD1 3.48Å; F16-Y73 HydrophobicContact CD2-CD1 3.48Å; F16-Y73 VanDerWaalsContact CD2-CD1 3.48Å; F16-Y73 AromaticContact CD2-CD2 3.97Å; F16-Y73 HydrophobicContact CD2-CD2 3.97Å; F16-Y73 HydrophobicContact CD2-CE1 4Å; F16-Y73 HydrophobicContact CD2-CE2 4.45Å; F16-Y73 AromaticContact CD2-CG 3.45Å; F16-Y73 HydrophobicContact CD2-CG 3.45Å; F16-Y73 VanDerWaalsContact CD2-CG 3.45Å; F16-Y73 HydrophobicContact CE2-CD1 4.3Å; F16-Y73 AromaticContact CE2-CG 3.96Å; F16-Y73 HydrophobicContact CE2-CG 3.96Å; F16-Y73 HydrophobicContact CG-CD1 4.07Å; F16-Y73 HydrophobicContact CG-CE1 4.3Å; F16-Y73 HydrophobicContact CG-CG 4.45Å; L29-Y73 HydrophobicContact CD1-CD2 4.08Å; L37-Y73 HydrophobicContact CD1-CD2 4.48Å; L37-Y73 HydrophobicContact CD1-CE2 3.71Å; L37-Y73 HydrophobicContact CD2-CE2 4.08Å; N69-Y73 WeakPolarHBondContact O-CB 3.41Å; N69-Y73 PolarHBondContact O-N 3.44Å; F70-Y73 HydrophobicContact CD2-CD1 4.21Å; F70-Y73 HydrophobicContact CE2-CD1 4.14Å; F70-Y73 PolarHBondContact O-N 3.33Å; Y73-T75 VanDerWaalsContact C-N 3.29Å; Y73-T75 PolarHBondContact O-N 3.44Å; Y73-F76 VanDerWaalsContact O-CB 3.31Å; Y73-F76 WeakPolarHBondContact O-CB 3.48Å; Y73-F76 PolarHBondContact O-N 2.92Å; Y73-L77 HydrophobicContact CD1-CD1 3.94Å; Y73-L77 HydrophobicContact CE1-CD1 3.34Å; Y73-L77 HydrophobicContact CE1-CG 4.13Å; Y73-L77 HydrophobicContact CE2-CD1 4.31Å; Y73-L77 HydrophobicContact CE2-CD2 4.33Å; Y73-L77 HydrophobicContact CE2-CG 4.25Å; Y73-L77 WeakPolarHBondContact O-CG 3.48Å; Y73-L77 PolarHBondContact O-N 3.05Å
74	V	93.2	Very high	90.5	Very high	70 Å²	70	64.1 Å²	64.1	42%	0.424	34%	0.338	S	S	.	.	H	α-helix	trans	-65.6	-36	176.1	171.5	0	0	0	0	111.2	F70 Q71 E72 F76 L77 G78	F70-V74 HydrophobicContact CD1-CG2 4.09Å; F70-V74 HydrophobicContact CE1-CG2 3.6Å; F70-V74 HydrophobicContact CE2-CG2 4.15Å; F70-V74 HydrophobicContact CZ-CG2 3.62Å; F70-V74 VanDerWaalsContact O-CG2 3.32Å; F70-V74 WeakPolarHBondContact O-CG2 3.42Å; F70-V74 PolarHBondContact O-N 3.47Å; Q71-V74 PolarHBondContact O-N 2.73Å; E72-V74 PolarHBondContact O-N 2.92Å; V74-F76 VanDerWaalsContact C-N 3.34Å; V74-F76 PolarHBondContact O-N 2.98Å; V74-L77 PolarHBondContact O-N 3.33Å; V74-G78 PolarHBondContact O-N 2.83Å
75	T	91.7	Very high	90.4	Very high	51 Å²	51	59.4 Å²	59.4	31%	0.313	32%	0.321	S	S	.	.	H	α-helix	trans	-63.2	-41.9	175.5	-56.6	0	0	0	0	111.5	Q71 E72 Y73 G78 A79	Q71-T75 PolarHBondContact O-N 2.98Å; Q71-T75 PolarHBondContact O-OG1 2.81Å; E72-T75 WeakPolarHBondContact O-CB 3.27Å; E72-T75 PolarHBondContact O-N 2.78Å; E72-T75 VanDerWaalsContact O-N 3.17Å; Y73-T75 VanDerWaalsContact C-N 3.29Å; Y73-T75 PolarHBondContact O-N 3.44Å; T75-G78 PolarHBondContact O-N 2.82Å; T75-A79 PolarHBondContact O-N 3.21Å
76	F	90.8	Very high	90.2	Very high	11 Å²	11	62.3 Å²	62.3	5%	0.048	33%	0.333	C	S	.	.	H	α-helix	trans	-57.2	-49.9	172.2	174.8	-125.8	0	0	0	112.4	I38 L42 L56 L60 E72 Y73 V74 G78 A79 L80	I38-F76 HydrophobicContact CD1-CE1 4.3Å; I38-F76 HydrophobicContact CD1-CZ 4.06Å; I38-F76 HydrophobicContact CG1-CE1 4.16Å; I38-F76 HydrophobicContact CG1-CZ 4.2Å; L42-F76 HydrophobicContact CD1-CE1 4.02Å; L42-F76 HydrophobicContact CD1-CZ 4.01Å; L56-F76 HydrophobicContact CD1-CD2 3.9Å; L56-F76 HydrophobicContact CD1-CE2 3.66Å; L56-F76 HydrophobicContact CD2-CD2 4.34Å; L56-F76 HydrophobicContact CD2-CE2 3.52Å; L56-F76 HydrophobicContact CD2-CZ 3.73Å; L56-F76 HydrophobicContact CG-CD2 4.49Å; L56-F76 HydrophobicContact CG-CE2 4.08Å; L60-F76 HydrophobicContact CD1-CB 3.68Å; L60-F76 HydrophobicContact CD1-CD1 4.33Å; L60-F76 HydrophobicContact CD1-CD2 3.82Å; L60-F76 HydrophobicContact CD1-CG 3.68Å; L60-F76 HydrophobicContact CD2-CB 3.47Å; L60-F76 VanDerWaalsContact CD2-CB 3.47Å; L60-F76 HydrophobicContact CD2-CD2 4.1Å; L60-F76 HydrophobicContact CD2-CG 4.13Å; L60-F76 HydrophobicContact CG-CB 4.21Å; L60-F76 HydrophobicContact CG-CD2 4.45Å; E72-F76 PolarHBondContact O-N 3.37Å; Y73-F76 VanDerWaalsContact O-CB 3.31Å; Y73-F76 WeakPolarHBondContact O-CB 3.48Å; Y73-F76 PolarHBondContact O-N 2.92Å; V74-F76 VanDerWaalsContact C-N 3.34Å; V74-F76 PolarHBondContact O-N 2.98Å; F76-G78 PolarHBondContact O-N 3.48Å; F76-A79 WeakPolarHBondContact O-CB 3.42Å; F76-A79 PolarHBondContact O-N 2.89Å; F76-A79 VanDerWaalsContact O-N 3.1Å; F76-L80 HydrophobicContact CD1-CD1 4.09Å; F76-L80 HydrophobicContact CD2-CD1 4.41Å; F76-L80 HydrophobicContact CD2-CG 4.24Å; F76-L80 HydrophobicContact CE1-CD1 3.49Å; F76-L80 VanDerWaalsContact CE1-CD1 3.49Å; F76-L80 HydrophobicContact CE1-CG 4.32Å; F76-L80 HydrophobicContact CE2-CD1 3.84Å; F76-L80 HydrophobicContact CE2-CD2 4.06Å; F76-L80 HydrophobicContact CE2-CG 3.78Å; F76-L80 HydrophobicContact CZ-CD1 3.37Å; F76-L80 HydrophobicContact CZ-CD2 4.16Å; F76-L80 HydrophobicContact CZ-CG 3.85Å; F76-L80 PolarHBondContact O-N 2.9Å
77	L	91.6	Very high	89.9	Confident	29 Å²	29	58.4 Å²	58.4	15%	0.152	33%	0.326	C	S	.	.	H	α-helix	trans	-60.3	-36.8	178.1	-68.3	175.1	0	0	0	111.8	L12 Y73 V74 L80 A81	L12-L77 HydrophobicContact CB-CD1 4.1Å; L12-L77 HydrophobicContact CD1-CD1 4.08Å; L12-L77 HydrophobicContact CD2-CD1 3.73Å; L12-L77 HydrophobicContact CD2-CD2 4.26Å; L12-L77 HydrophobicContact CG-CD1 4.15Å; Y73-L77 HydrophobicContact CD1-CD1 3.94Å; Y73-L77 HydrophobicContact CE1-CD1 3.34Å; Y73-L77 HydrophobicContact CE1-CG 4.13Å; Y73-L77 HydrophobicContact CE2-CD1 4.31Å; Y73-L77 HydrophobicContact CE2-CD2 4.33Å; Y73-L77 HydrophobicContact CE2-CG 4.25Å; Y73-L77 WeakPolarHBondContact O-CG 3.48Å; Y73-L77 PolarHBondContact O-N 3.05Å; V74-L77 PolarHBondContact O-N 3.33Å; L77-L80 PolarHBondContact O-N 3.41Å; L77-A81 VanDerWaalsContact O-CB 3.3Å; L77-A81 WeakPolarHBondContact O-CB 3.46Å; L77-A81 PolarHBondContact O-N 3.11Å
78	G	91.7	Very high	89.4	Confident	36 Å²	36	62.9 Å²	62.9	37%	0.371	35%	0.351	S	S	.	.	H	α-helix	trans	-60.3	-45.9	172.7	0	0	0	0	0	112.4	V74 T75 F76 A81 L82	V74-G78 PolarHBondContact O-N 2.83Å; T75-G78 PolarHBondContact O-N 2.82Å; F76-G78 PolarHBondContact O-N 3.48Å; G78-A81 PolarHBondContact O-N 3.33Å; G78-L82 WeakPolarHBondContact O-CG 3.35Å; G78-L82 PolarHBondContact O-N 3.23Å
79	A	88.9	Confident	88.6	Confident	51 Å²	51	70.5 Å²	70.5	42%	0.421	38%	0.384	S	S	.	.	H	α-helix	trans	-63	-43.7	176.2	0	0	0	0	0	112	T75 F76 A81 L82 I83	T75-A79 PolarHBondContact O-N 3.21Å; F76-A79 WeakPolarHBondContact O-CB 3.42Å; F76-A79 PolarHBondContact O-N 2.89Å; F76-A79 VanDerWaalsContact O-N 3.1Å; A79-A81 VanDerWaalsContact C-N 3.34Å; A79-A81 PolarHBondContact O-N 2.78Å; A79-L82 WeakPolarHBondContact O-CB 3.43Å; A79-L82 PolarHBondContact O-N 3.07Å; A79-I83 WeakPolarHBondContact O-CG1 3.23Å; A79-I83 PolarHBondContact O-N 3.02Å; A79-I83 VanDerWaalsContact O-N 3.13Å
80	L	87.2	Confident	87	Confident	14 Å²	14	74.4 Å²	74.4	7%	0.073	43%	0.434	C	S	.	.	H	α-helix	trans	-61.2	-42.7	174.1	-72.9	179.1	0	0	0	112.2	L42 I44 F76 L77 L82 I83 Y84	L42-L80 HydrophobicContact CD1-CD1 3.51Å; L42-L80 HydrophobicContact CD2-CD1 4.14Å; I44-L80 HydrophobicContact CD1-CD2 3.78Å; F76-L80 HydrophobicContact CD1-CD1 4.09Å; F76-L80 HydrophobicContact CD2-CD1 4.41Å; F76-L80 HydrophobicContact CD2-CG 4.24Å; F76-L80 HydrophobicContact CE1-CD1 3.49Å; F76-L80 VanDerWaalsContact CE1-CD1 3.49Å; F76-L80 HydrophobicContact CE1-CG 4.32Å; F76-L80 HydrophobicContact CE2-CD1 3.84Å; F76-L80 HydrophobicContact CE2-CD2 4.06Å; F76-L80 HydrophobicContact CE2-CG 3.78Å; F76-L80 HydrophobicContact CZ-CD1 3.37Å; F76-L80 HydrophobicContact CZ-CD2 4.16Å; F76-L80 HydrophobicContact CZ-CG 3.85Å; F76-L80 PolarHBondContact O-N 2.9Å; L77-L80 PolarHBondContact O-N 3.41Å; L80-L82 VanDerWaalsContact C-N 3.27Å; L80-L82 PolarHBondContact O-N 2.83Å; L80-I83 PolarHBondContact O-N 2.94Å; L80-I83 VanDerWaalsContact O-N 3.17Å; L80-Y84 HydrophobicContact CB-CD2 4.36Å; L80-Y84 HydrophobicContact CB-CE2 4.22Å; L80-Y84 WeakPolarHBondContact O-CD2 3.34Å; L80-Y84 PolarHBondContact O-N 3.1Å
81	A	89.3	Confident	86.7	Confident	55 Å²	55	74.2 Å²	74.2	46%	0.455	44%	0.438	S	S	.	.	H	α-helix	trans	-61.5	-36.7	178.2	0	0	0	0	0	111.8	L77 G78 A79 N85	L77-A81 VanDerWaalsContact O-CB 3.3Å; L77-A81 WeakPolarHBondContact O-CB 3.46Å; L77-A81 PolarHBondContact O-N 3.11Å; G78-A81 PolarHBondContact O-N 3.33Å; A79-A81 VanDerWaalsContact C-N 3.34Å; A79-A81 PolarHBondContact O-N 2.78Å; A81-N85 WeakPolarHBondContact O-CB 3.2Å; A81-N85 PolarHBondContact O-N 3.47Å
82	L	89	Confident	86.4	Confident	112 Å²	112	70.4 Å²	70.4	59%	0.586	43%	0.425	S	S	*	.	H	α-helix	trans	-63.1	-46.8	172.7	-68.8	174.3	0	0	0	111.5	G78 A79 L80 Y84 N85 E86	G78-L82 WeakPolarHBondContact O-CG 3.35Å; G78-L82 PolarHBondContact O-N 3.23Å; A79-L82 WeakPolarHBondContact O-CB 3.43Å; A79-L82 PolarHBondContact O-N 3.07Å; L80-L82 VanDerWaalsContact C-N 3.27Å; L80-L82 PolarHBondContact O-N 2.83Å; L82-Y84 PolarHBondContact O-N 3.23Å; L82-N85 WeakPolarHBondContact O-CB 3.32Å; L82-N85 PolarHBondContact O-N 3.28Å; L82-E86 WeakPolarHBondContact O-CG 3.1Å; L82-E86 PolarHBondContact O-N 2.6Å
83	I	86.3	Confident	86	Confident	101 Å²	101	74 Å²	74	52%	0.518	45%	0.447	S	S	.	.	H	α-helix	trans	-60.3	-45.9	177.5	-64.7	165.8	0	0	0	110.9	A79 L80 E86 A87	A79-I83 WeakPolarHBondContact O-CG1 3.23Å; A79-I83 PolarHBondContact O-N 3.02Å; A79-I83 VanDerWaalsContact O-N 3.13Å; L80-I83 PolarHBondContact O-N 2.94Å; L80-I83 VanDerWaalsContact O-N 3.17Å; I83-E86 PolarHBondContact O-N 2.81Å; I83-A87 WeakPolarHBondContact O-CB 3.47Å; I83-A87 PolarHBondContact O-N 2.82Å
84	Y	83.3	Confident	85.6	Confident	90 Å²	90	78.1 Å²	78.1	35%	0.353	47%	0.473	S	S	.	.	H	α-helix	trans	-63.7	-40.9	176.2	-73.9	-57.8	0	0	0	112	L80 L82 E86 A87 L88	L80-Y84 HydrophobicContact CB-CD2 4.36Å; L80-Y84 HydrophobicContact CB-CE2 4.22Å; L80-Y84 WeakPolarHBondContact O-CD2 3.34Å; L80-Y84 PolarHBondContact O-N 3.1Å; L82-Y84 PolarHBondContact O-N 3.23Å; Y84-E86 VanDerWaalsContact C-N 3.34Å; Y84-E86 PolarHBondContact O-N 2.73Å; Y84-A87 PolarHBondContact O-N 2.58Å; Y84-L88 VanDerWaalsContact O-CG 3.3Å; Y84-L88 WeakPolarHBondContact O-CG 3.43Å; Y84-L88 PolarHBondContact O-N 2.67Å
85	N	86.5	Confident	85.1	Confident	78 Å²	78	78.6 Å²	78.6	42%	0.417	48%	0.476	S	S	.	.	H	α-helix	trans	-64.2	-37.8	176.9	177.3	68.3	0	0	0	112.1	A81 L82 K89	A81-N85 WeakPolarHBondContact O-CB 3.2Å; A81-N85 PolarHBondContact O-N 3.47Å; L82-N85 WeakPolarHBondContact O-CB 3.32Å; L82-N85 PolarHBondContact O-N 3.28Å; N85-K89 WeakPolarHBondContact O-CG 3.16Å; N85-K89 PolarHBondContact O-N 3.11Å
86	E	86.8	Confident	84.7	Confident	131 Å²	131	80.5 Å²	80.5	61%	0.612	49%	0.487	S	S	*	.	H	α-helix	trans	-67	-42.6	172.5	-71.6	-176.9	108.7	0	0	111.8	L82 I83 Y84 L88 K89	L82-E86 WeakPolarHBondContact O-CG 3.1Å; L82-E86 PolarHBondContact O-N 2.6Å; I83-E86 PolarHBondContact O-N 2.81Å; Y84-E86 VanDerWaalsContact C-N 3.34Å; Y84-E86 PolarHBondContact O-N 2.73Å; E86-L88 PolarHBondContact O-N 3.45Å; E86-K89 PolarHBondContact O-N 2.83Å; E86-K89 VanDerWaalsContact O-N 3.11Å
87	A	82	Confident	84.3	Confident	68 Å²	68	85.4 Å²	85.4	56%	0.562	52%	0.518	S	S	*	.	H	α-helix	trans	-63.7	-27.8	176.9	0	0	0	0	0	113.6	I83 Y84	I83-A87 WeakPolarHBondContact O-CB 3.47Å; I83-A87 PolarHBondContact O-N 2.82Å; Y84-A87 PolarHBondContact O-N 2.58Å
88	L	79.6	Confident	83.7	Confident	148 Å²	148	89.8 Å²	89.8	78%	0.775	55%	0.546	S	S	*	.	H	α-helix	trans	-81.6	-17.6	175.3	-71.4	172.5	0	0	0	113.8	Y84 E86	Y84-L88 VanDerWaalsContact O-CG 3.3Å; Y84-L88 WeakPolarHBondContact O-CG 3.43Å; Y84-L88 PolarHBondContact O-N 2.67Å; E86-L88 PolarHBondContact O-N 3.45Å
89	K	76.5	Confident	83	Confident	161 Å²	161	94.3 Å²	94.3	70%	0.7	56%	0.561	S	S	*	*	H	α-helix	trans	-80.3	-23.5	176.8	-76.7	175.8	-178.5	-179.3	0	113	N85 E86	N85-K89 WeakPolarHBondContact O-CG 3.16Å; N85-K89 PolarHBondContact O-N 3.11Å; E86-K89 PolarHBondContact O-N 2.83Å; E86-K89 VanDerWaalsContact O-N 3.11Å
90	G	60.8	Low	82.5	Confident	122 Å²	122	98.2 Å²	98.2	100%	1.258	57%	0.574	S	S	*	*			trans	-86.7	0	176.4	0	0	0	0	0	111.7

Retrieved 90 of 90 residues in 131.6 ms (Link to these results)

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