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Protein S100

Calcium-binding protein that plays a role in various cellular processes including motility, angiogenesis, cell differentiation, apoptosis, and autophagy. Increases cell motility and invasiveness by interacting with non-muscle myosin heavy chain (NMMHC) IIA/MYH9. Mechanistically, promotes filament depolymerization and increases the amount of soluble myosin-IIA, resulting in the formation of stable protrusions facilitating chemotaxis. Also modulates the pro-apoptotic function of TP53 by binding to its C-terminal transactivation domain within the nucleus and reducing its protein levels. Within the extracellular space, stimulates cytokine production including granulocyte colony-stimulating factor and CCL24 from T-lymphocytes. In addition, stimulates T-lymphocyte chemotaxis by acting as a chemoattractant complex with PGLYRP1 that promotes lymphocyte migration via CCR5 and CXCR3 receptors.

AlphaFold DB , UniProt , Accession A0A096NEN2, Species PAPAN (Papio anubis, Olive baboon), Gene S100A4, Length 101 aa.

						>A0A096NEN2_PAPAN|A0A096NEN2|S100A4
MASPLEKALDVMVSTFHKYSGKEGDKFKLNKSELKELLTRELPSFLGKRTDEAAFQKLMSNLDSNRDNEVDFQEYCVFLSCIAMMCNEFFEGFPDKQPRKK
					

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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	71.3	Confident	90.9	Very high	233 Å²	233	100.1 Å²	100.1	100%	1.148	56%	0.555	S	S	*	*				0	135.1	0	-68.6	-158.4	-168.4	0	0	107.3
2	A	82.9	Confident	91.2	Very high	41 Å²	41	96.3 Å²	96.3	34%	0.339	53%	0.531	S	S	.	.			trans	-61.2	140	175.7	0	0	0	0	0	110.7	E6 K7	A2-E6 HydrophobicContact CB-CB 4.15Å; A2-K7 HydrophobicContact CB-CG 3.85Å; A2-K7 WeakPolarHBondContact O-CE 3.35Å
3	S	94.9	Very high	91.6	Very high	48 Å²	48	93.6 Å²	93.6	34%	0.336	52%	0.519	S	S	.	.			trans	-64	159.4	174	66.4	0	0	0	0	110.8	L5 E6 K7	S3-L5 PolarHBondContact O-N 2.89Å; S3-E6 WeakPolarHBondContact CB-OE2 3.35Å; S3-E6 PolarHBondContact N-OE2 2.78Å; S3-E6 PolarHBondContact O-N 3.04Å; S3-E6 VanDerWaalsContact OG-CD 3.26Å; S3-E6 VanDerWaalsContact OG-CG 3.3Å; S3-E6 WeakPolarHBondContact OG-CG 3.28Å; S3-E6 PolarHBondContact OG-N 2.99Å; S3-E6 PolarHBondContact OG-OE2 3.34Å; S3-K7 WeakPolarHBondContact O-CG 3.37Å; S3-K7 PolarHBondContact O-N 3.25Å
4	P	94.7	Very high	91.9	Very high	115 Å²	115	91.8 Å²	91.8	75%	0.747	52%	0.516	S	S	*	.	H	α-helix	trans	-55.4	-35.6	179.6	-27.5	36	0	0	0	113.8	A8	P4-A8 PolarHBondContact O-N 3.32Å
5	L	92.7	Very high	92.1	Very high	127 Å²	127	86.9 Å²	86.9	67%	0.665	49%	0.489	S	S	*	.	H	α-helix	trans	-72.2	-43.6	-179.8	-177.4	59.9	0	0	0	112.2	S3 K7 A8 L9	S3-L5 PolarHBondContact O-N 2.89Å; L5-K7 VanDerWaalsContact C-N 3.28Å; L5-K7 PolarHBondContact O-N 3.21Å; L5-A8 WeakPolarHBondContact O-CB 3.38Å; L5-A8 PolarHBondContact O-N 2.94Å; L5-A8 VanDerWaalsContact O-N 3.08Å; L5-L9 PolarHBondContact O-N 3.05Å
6	E	91.9	Very high	92.4	Very high	105 Å²	105	81.5 Å²	81.5	49%	0.491	46%	0.459	S	S	.	.	H	α-helix	trans	-59.1	-42.7	174.3	-70.7	164.6	140.8	0	0	110.8	A2 S3 A8 L9 D10	A2-E6 HydrophobicContact CB-CB 4.15Å; S3-E6 WeakPolarHBondContact CB-OE2 3.35Å; S3-E6 PolarHBondContact N-OE2 2.78Å; S3-E6 PolarHBondContact O-N 3.04Å; S3-E6 VanDerWaalsContact OG-CD 3.26Å; S3-E6 VanDerWaalsContact OG-CG 3.3Å; S3-E6 WeakPolarHBondContact OG-CG 3.28Å; S3-E6 PolarHBondContact OG-N 2.99Å; S3-E6 PolarHBondContact OG-OE2 3.34Å; E6-A8 VanDerWaalsContact C-N 3.3Å; E6-A8 PolarHBondContact O-N 2.63Å; E6-L9 PolarHBondContact O-N 3.4Å; E6-D10 PolarHBondContact O-N 3.23Å
7	K	94.7	Very high	92.6	Very high	106 Å²	106	81.1 Å²	81.1	46%	0.461	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-36.4	174.4	-69.9	176.4	177.2	172.5	0	112.7	A2 S3 L5 L9 D10 V11	A2-K7 HydrophobicContact CB-CG 3.85Å; A2-K7 WeakPolarHBondContact O-CE 3.35Å; S3-K7 WeakPolarHBondContact O-CG 3.37Å; S3-K7 PolarHBondContact O-N 3.25Å; L5-K7 VanDerWaalsContact C-N 3.28Å; L5-K7 PolarHBondContact O-N 3.21Å; K7-L9 VanDerWaalsContact C-N 3.35Å; K7-D10 PolarHBondContact O-N 3.4Å; K7-V11 VanDerWaalsContact O-CG2 3.25Å; K7-V11 WeakPolarHBondContact O-CG2 3.4Å; K7-V11 PolarHBondContact O-N 3.39Å
8	A	93.1	Very high	92.8	Very high	44 Å²	44	83 Å²	83	36%	0.364	46%	0.455	S	S	.	.	H	α-helix	trans	-65.3	-40.6	176.9	0	0	0	0	0	111.3	P4 L5 E6 V11 M12	P4-A8 PolarHBondContact O-N 3.32Å; L5-A8 WeakPolarHBondContact O-CB 3.38Å; L5-A8 PolarHBondContact O-N 2.94Å; L5-A8 VanDerWaalsContact O-N 3.08Å; E6-A8 VanDerWaalsContact C-N 3.3Å; E6-A8 PolarHBondContact O-N 2.63Å; A8-V11 PolarHBondContact O-N 2.69Å; A8-M12 VanDerWaalsContact O-CG 3.31Å; A8-M12 WeakPolarHBondContact O-CG 3.45Å; A8-M12 PolarHBondContact O-N 2.9Å
9	L	93.8	Very high	92.9	Very high	93 Å²	93	78.7 Å²	78.7	49%	0.487	43%	0.431	S	S	.	.	H	α-helix	trans	-62.9	-44.3	174	-64	175.2	0	0	0	111.5	L5 E6 K7 V11 M12 V13	L5-L9 PolarHBondContact O-N 3.05Å; E6-L9 PolarHBondContact O-N 3.4Å; K7-L9 VanDerWaalsContact C-N 3.35Å; L9-V11 VanDerWaalsContact C-N 3.28Å; L9-V11 PolarHBondContact O-N 3.13Å; L9-M12 HydrophobicContact CD2-SD 4.06Å; L9-M12 WeakPolarHBondContact O-CB 3.49Å; L9-M12 PolarHBondContact O-N 3.02Å; L9-M12 VanDerWaalsContact O-N 3.17Å; L9-V13 WeakPolarHBondContact O-CG2 3.45Å; L9-V13 PolarHBondContact O-N 2.85Å
10	D	93.9	Very high	93	Very high	105 Å²	105	74.8 Å²	74.8	56%	0.561	41%	0.41	S	S	*	.	H	α-helix	trans	-59.5	-39.8	174.7	-72.6	-20.9	0	0	0	111.9	E6 K7 V13 S14	E6-D10 PolarHBondContact O-N 3.23Å; K7-D10 PolarHBondContact O-N 3.4Å; D10-V13 PolarHBondContact O-N 2.9Å; D10-S14 WeakPolarHBondContact O-CB 3.14Å; D10-S14 PolarHBondContact O-N 3.22Å; D10-S14 PolarHBondContact O-OG 3.14Å
11	V	95.9	Very high	92.9	Very high	84 Å²	84	73.1 Å²	73.1	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-65.7	-41.6	175.8	169.3	0	0	0	0	111.2	K7 A8 L9 V13 S14 T15	K7-V11 VanDerWaalsContact O-CG2 3.25Å; K7-V11 WeakPolarHBondContact O-CG2 3.4Å; K7-V11 PolarHBondContact O-N 3.39Å; A8-V11 PolarHBondContact O-N 2.69Å; L9-V11 VanDerWaalsContact C-N 3.28Å; L9-V11 PolarHBondContact O-N 3.13Å; V11-V13 PolarHBondContact O-N 2.83Å; V11-S14 WeakPolarHBondContact CA-OG 3.26Å; V11-S14 PolarHBondContact O-OG 3.13Å; V11-T15 WeakPolarHBondContact O-CB 3.44Å; V11-T15 PolarHBondContact O-N 2.8Å; V11-T15 PolarHBondContact O-OG1 3.03Å
12	M	94.9	Very high	93.8	Very high	55 Å²	55	66.4 Å²	66.4	27%	0.271	37%	0.374	S	S	.	.	H	α-helix	trans	-59.5	-48	176.4	-70.4	166.1	63.1	0	0	111.3	A8 L9 F16 L79	A8-M12 VanDerWaalsContact O-CG 3.31Å; A8-M12 WeakPolarHBondContact O-CG 3.45Å; A8-M12 PolarHBondContact O-N 2.9Å; L9-M12 HydrophobicContact CD2-SD 4.06Å; L9-M12 WeakPolarHBondContact O-CB 3.49Å; L9-M12 PolarHBondContact O-N 3.02Å; L9-M12 VanDerWaalsContact O-N 3.17Å; M12-F16 PolarHBondContact O-N 2.91Å; M12-F16 VanDerWaalsContact O-N 3.11Å; M12-L79 HydrophobicContact CB-CD1 4.23Å; M12-L79 HydrophobicContact CE-CB 4.31Å; M12-L79 HydrophobicContact CE-CD1 3.51Å; M12-L79 HydrophobicContact CG-CD1 3.8Å; M12-L79 HydrophobicContact SD-CD1 4.3Å
13	V	95.5	Very high	93.9	Very high	61 Å²	61	70.5 Å²	70.5	37%	0.37	39%	0.386	S	S	.	.	H	α-helix	trans	-64.9	-50.2	179.9	175.2	0	0	0	0	111.4	L9 D10 V11 T15 F16 H17 F72	L9-V13 WeakPolarHBondContact O-CG2 3.45Å; L9-V13 PolarHBondContact O-N 2.85Å; D10-V13 PolarHBondContact O-N 2.9Å; V11-V13 PolarHBondContact O-N 2.83Å; V13-T15 VanDerWaalsContact C-N 3.32Å; V13-T15 PolarHBondContact O-N 2.78Å; V13-F16 PolarHBondContact O-N 2.75Å; V13-H17 PolarHBondContact O-CD2 2.94Å; V13-H17 PolarHBondContact O-N 2.84Å; V13-H17 VanDerWaalsContact O-N 3.13Å; V13-F72 HydrophobicContact CB-CZ 4.46Å; V13-F72 HydrophobicContact CG2-CE1 4.44Å; V13-F72 HydrophobicContact CG2-CE2 4.18Å; V13-F72 HydrophobicContact CG2-CZ 3.63Å
14	S	95.9	Very high	93.6	Very high	68 Å²	68	71.7 Å²	71.7	48%	0.476	41%	0.406	S	S	.	.	H	α-helix	trans	-66.2	-34.5	-178.6	56.1	0	0	0	0	112.6	D10 V11 K18	D10-S14 WeakPolarHBondContact O-CB 3.14Å; D10-S14 PolarHBondContact O-N 3.22Å; D10-S14 PolarHBondContact O-OG 3.14Å; V11-S14 WeakPolarHBondContact CA-OG 3.26Å; V11-S14 PolarHBondContact O-OG 3.13Å; S14-K18 VanDerWaalsContact O-CB 3.25Å; S14-K18 WeakPolarHBondContact O-CB 3.41Å; S14-K18 PolarHBondContact O-N 3.27Å
15	T	96	Very high	93.3	Very high	19 Å²	19	69 Å²	69	12%	0.117	39%	0.385	C	S	.	.	H	α-helix	trans	-64.8	-45.9	174.7	-59.4	0	0	0	0	110.8	V11 V13 H17 K18 Y19 L37 E41	V11-T15 WeakPolarHBondContact O-CB 3.44Å; V11-T15 PolarHBondContact O-N 2.8Å; V11-T15 PolarHBondContact O-OG1 3.03Å; V13-T15 VanDerWaalsContact C-N 3.32Å; V13-T15 PolarHBondContact O-N 2.78Å; T15-H17 PolarHBondContact O-N 3.5Å; T15-K18 WeakPolarHBondContact O-CB 3.1Å; T15-K18 PolarHBondContact O-N 3.32Å; T15-Y19 HydrophobicContact CG2-CD2 4.4Å; T15-Y19 HydrophobicContact CG2-CE2 4.14Å; T15-Y19 WeakPolarHBondContact O-CD2 3.42Å; T15-L37 HydrophobicContact CG2-CG 4.48Å; T15-E41 HydrophobicContact CG2-CB 4.23Å; T15-E41 HydrophobicContact CG2-CG 3.63Å
16	F	95.8	Very high	93.3	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-55.8	-54.2	175.8	179.8	-93.4	0	0	0	111.6	M12 V13 K18 Y19 S20 F27 L29 F72 Y75	M12-F16 PolarHBondContact O-N 2.91Å; M12-F16 VanDerWaalsContact O-N 3.11Å; V13-F16 PolarHBondContact O-N 2.75Å; F16-K18 VanDerWaalsContact C-N 3.27Å; F16-K18 PolarHBondContact O-N 3.13Å; F16-Y19 PolarHBondContact O-N 3.3Å; F16-S20 PolarHBondContact O-N 3.11Å; F16-S20 PolarHBondContact O-OG 3.03Å; F16-F27 WeakPolarHBondContact CE1-O 3.38Å; F16-F27 WeakPolarHBondContact CZ-O 3.33Å; F16-L29 HydrophobicContact CD2-CD1 3.54Å; F16-L29 HydrophobicContact CD2-CG 3.98Å; F16-L29 HydrophobicContact CE2-CD1 3.46Å; F16-L29 VanDerWaalsContact CE2-CD1 3.46Å; F16-L29 HydrophobicContact CE2-CG 3.6Å; F16-L29 HydrophobicContact CZ-CD1 4.45Å; F16-L29 HydrophobicContact CZ-CG 4.14Å; F16-F72 HydrophobicContact CB-CD2 3.94Å; F16-F72 HydrophobicContact CB-CE2 4.02Å; F16-F72 HydrophobicContact CD1-CB 4.49Å; F16-F72 AromaticContact CD1-CD2 3.75Å; F16-F72 HydrophobicContact CD1-CD2 3.75Å; F16-F72 AromaticContact CD2-CD2 4Å; F16-F72 HydrophobicContact CD2-CD2 4Å; F16-F72 HydrophobicContact CE1-CB 4.11Å; F16-F72 HydrophobicContact CE1-CD2 4.22Å; F16-F72 HydrophobicContact CE2-CB 4.48Å; F16-F72 HydrophobicContact CE2-CD2 4.42Å; F16-F72 AromaticContact CG-CD2 3.63Å; F16-F72 HydrophobicContact CG-CD2 3.63Å; F16-F72 HydrophobicContact CG-CE2 4.23Å; F16-F72 HydrophobicContact CZ-CB 4.11Å; F16-Y75 HydrophobicContact CB-CD1 4.08Å; F16-Y75 HydrophobicContact CB-CE1 3.9Å; F16-Y75 AromaticContact CD2-CD1 3.63Å; F16-Y75 HydrophobicContact CD2-CD1 3.63Å; F16-Y75 HydrophobicContact CD2-CD2 4.08Å; F16-Y75 HydrophobicContact CD2-CE1 4.2Å; F16-Y75 AromaticContact CD2-CG 3.55Å; F16-Y75 HydrophobicContact CD2-CG 3.55Å; F16-Y75 HydrophobicContact CE2-CD1 4.47Å; F16-Y75 HydrophobicContact CE2-CG 4.1Å; F16-Y75 HydrophobicContact CG-CD1 4.21Å
17	H	96.1	Very high	93.4	Very high	75 Å²	75	71.4 Å²	71.4	35%	0.347	39%	0.389	S	S	.	.	H	α-helix	trans	-68.8	-21.8	-177.2	-73.5	-59.2	0	0	0	114.6	V13 T15 Y19 S20 G21 K26 F27	V13-H17 PolarHBondContact O-CD2 2.94Å; V13-H17 PolarHBondContact O-N 2.84Å; V13-H17 VanDerWaalsContact O-N 3.13Å; T15-H17 PolarHBondContact O-N 3.5Å; H17-Y19 PolarHBondContact O-N 2.92Å; H17-S20 WeakPolarHBondContact CA-OG 3.35Å; H17-G21 PolarHBondContact O-N 3.42Å; H17-K26 PolarHBondContact ND1-O 2.88Å; H17-F27 AromaticContact CE1-CD1 3.85Å
18	K	95.7	Very high	93.4	Very high	115 Å²	115	68.7 Å²	68.7	50%	0.5	38%	0.378	S	S	.	.	H	α-helix	trans	-62.9	-29.8	170.7	173.1	-173.9	172.6	-168.9	0	112.1	S14 T15 F16 K22 E41	S14-K18 VanDerWaalsContact O-CB 3.25Å; S14-K18 WeakPolarHBondContact O-CB 3.41Å; S14-K18 PolarHBondContact O-N 3.27Å; T15-K18 WeakPolarHBondContact O-CB 3.1Å; T15-K18 PolarHBondContact O-N 3.32Å; F16-K18 VanDerWaalsContact C-N 3.27Å; F16-K18 PolarHBondContact O-N 3.13Å; K18-K22 WeakPolarHBondContact O-CE 3.07Å; K18-E41 IonicContact NZ-OE1 2.64Å; K18-E41 PolarHBondContact NZ-OE1 3.48Å
19	Y	96.3	Very high	93.5	Very high	1 Å²	1	66.6 Å²	66.6	0%	0.004	36%	0.36	C	S	.	.	H	α-helix	trans	-101.3	-44.3	179.9	-66.4	-84.2	0	0	0	112.7	T15 F16 H17 G21 K22 E33 E36 L37 R40 E41	T15-Y19 HydrophobicContact CG2-CD2 4.4Å; T15-Y19 HydrophobicContact CG2-CE2 4.14Å; T15-Y19 WeakPolarHBondContact O-CD2 3.42Å; F16-Y19 PolarHBondContact O-N 3.3Å; H17-Y19 PolarHBondContact O-N 2.92Å; Y19-G21 PolarHBondContact O-N 3.02Å; Y19-K22 WeakPolarHBondContact O-CB 3.2Å; Y19-K22 WeakPolarHBondContact O-CG 3.4Å; Y19-K22 PolarHBondContact O-N 3.39Å; Y19-E33 WeakPolarHBondContact O-CG 3.32Å; Y19-E36 HydrophobicContact CD1-CB 4.11Å; Y19-E36 HydrophobicContact CD1-CG 4.25Å; Y19-E36 HydrophobicContact CE1-CB 4.16Å; Y19-E36 HydrophobicContact CE1-CG 3.87Å; Y19-L37 HydrophobicContact CD1-CB 4.14Å; Y19-L37 HydrophobicContact CD2-CB 3.71Å; Y19-L37 HydrophobicContact CD2-CD1 3.81Å; Y19-L37 HydrophobicContact CD2-CG 3.67Å; Y19-L37 HydrophobicContact CE2-CB 4.16Å; Y19-L37 HydrophobicContact CE2-CG 4.06Å; Y19-L37 HydrophobicContact CG-CB 3.73Å; Y19-L37 HydrophobicContact CG-CD1 4.26Å; Y19-L37 HydrophobicContact CG-CG 4.18Å; Y19-R40 WeakPolarHBondContact OH-CB 3.37Å; Y19-E41 HydrophobicContact CE2-CG 3.54Å; Y19-E41 VanDerWaalsContact CE2-OE1 3.26Å; Y19-E41 WeakPolarHBondContact CE2-OE1 3.49Å; Y19-E41 PolarHBondContact OH-OE1 3.17Å
20	S	94.1	Very high	93.4	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.5	-23.9	-179.3	66.6	0	0	0	0	113.2	F16 H17 K22 K26 K28 L29	F16-S20 PolarHBondContact O-N 3.11Å; F16-S20 PolarHBondContact O-OG 3.03Å; H17-S20 WeakPolarHBondContact CA-OG 3.35Å; S20-K22 PolarHBondContact O-N 2.64Å; S20-K26 WeakPolarHBondContact CB-O 3.38Å; S20-K26 WeakPolarHBondContact O-CA 3.21Å; S20-K26 PolarHBondContact OG-O 3.26Å; S20-K28 WeakPolarHBondContact CB-O 3.42Å; S20-L29 VanDerWaalsContact N-CD2 3.29Å
21	G	91.4	Very high	93.2	Very high	40 Å²	40	62.7 Å²	62.7	41%	0.412	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	1.8	179.5	0	0	0	0	0	115	H17 Y19	H17-G21 PolarHBondContact O-N 3.42Å; Y19-G21 PolarHBondContact O-N 3.02Å
22	K	89.9	Confident	93	Very high	93 Å²	93	62.1 Å²	62.1	40%	0.404	34%	0.335	S	S	.	.	S	Bend	trans	-83.4	-47.1	-172.3	-68.5	-177.1	-178.2	-173.5	0	111.9	K18 Y19 S20 E33 E36	K18-K22 WeakPolarHBondContact O-CE 3.07Å; Y19-K22 WeakPolarHBondContact O-CB 3.2Å; Y19-K22 WeakPolarHBondContact O-CG 3.4Å; Y19-K22 PolarHBondContact O-N 3.39Å; S20-K22 PolarHBondContact O-N 2.64Å; K22-E33 HydrophobicContact CB-CG 4.4Å; K22-E33 WeakPolarHBondContact CB-OE1 3.25Å; K22-E33 PolarHBondContact N-OE1 2.83Å; K22-E36 IonicContact NZ-OE1 3.2Å; K22-E36 PolarHBondContact NZ-OE1 3.01Å; K22-E36 IonicContact NZ-OE2 2.62Å; K22-E36 PolarHBondContact NZ-OE2 2.73Å
23	E	84.6	Confident	92.9	Very high	126 Å²	126	59.6 Å²	59.6	59%	0.589	32%	0.323	S	S	*	.	S	Bend	trans	-148.7	131.8	-173.6	-65.7	-177.5	-177.4	0	0	111.4	N30 E33	E23-N30 PolarHBondContact O-ND2 3.23Å; E23-E33 PolarHBondContact N-OE1 3.44Å
24	G	88.1	Confident	92.7	Very high	73 Å²	73	56.7 Å²	56.7	75%	0.753	31%	0.305	S	S	*	.	S	Bend	trans	83.1	-133	177.4	0	0	0	0	0	113.5
25	D	90.1	Very high	92.3	Very high	59 Å²	59	57.7 Å²	57.7	32%	0.316	30%	0.301	S	S	.	.			trans	-79.3	117.7	-178.6	-171.6	-20	0	0	0	111.5	F27 K28	D25-F27 PolarHBondContact O-N 3.18Å; D25-F27 PolarHBondContact OD1-N 3.18Å; D25-K28 HydrophobicContact CB-CB 4.29Å; D25-K28 HydrophobicContact CB-CG 4.47Å; D25-K28 PolarHBondContact O-N 3.18Å
26	K	92.4	Very high	92.1	Very high	139 Å²	139	59 Å²	59	60%	0.604	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.2	-178.1	-60.9	-176.4	174.7	179.4	0	114.5	H17 S20	H17-K26 PolarHBondContact ND1-O 2.88Å; S20-K26 WeakPolarHBondContact CB-O 3.38Å; S20-K26 WeakPolarHBondContact O-CA 3.21Å; S20-K26 PolarHBondContact OG-O 3.26Å
27	F	93.6	Very high	91.9	Very high	144 Å²	144	59 Å²	59	63%	0.632	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	2.7	-179.1	-58.1	-73.4	0	0	0	113.2	F16 H17 D25	F16-F27 WeakPolarHBondContact CE1-O 3.38Å; F16-F27 WeakPolarHBondContact CZ-O 3.33Å; H17-F27 AromaticContact CE1-CD1 3.85Å; D25-F27 PolarHBondContact O-N 3.18Å; D25-F27 PolarHBondContact OD1-N 3.18Å
28	K	94.9	Very high	91.5	Very high	49 Å²	49	55.4 Å²	55.4	21%	0.213	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	151.8	178.4	-55.6	-176.2	-179.3	179.4	0	111.2	S20 D25 D67 E69 V70 D71	S20-K28 WeakPolarHBondContact CB-O 3.42Å; D25-K28 HydrophobicContact CB-CB 4.29Å; D25-K28 HydrophobicContact CB-CG 4.47Å; D25-K28 PolarHBondContact O-N 3.18Å; K28-D67 IonicContact NZ-OD2 2.63Å; K28-D67 PolarHBondContact NZ-OD2 3Å; K28-E69 HydrophobicContact CB-CB 3.77Å; K28-E69 HydrophobicContact CD-CB 3.96Å; K28-E69 WeakPolarHBondContact CD-OE2 3.44Å; K28-V70 CarbonylContact C-O 3.54Å; K28-V70 WeakPolarHBondContact CA-O 3.42Å; K28-D71 HydrophobicContact CG-CB 4.12Å
29	L	94.6	Very high	91	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	117	175.3	-67.4	164.3	0	0	0	108.9	F16 S20 E33 L34 L37 E69 V70 Y75	F16-L29 HydrophobicContact CD2-CD1 3.54Å; F16-L29 HydrophobicContact CD2-CG 3.98Å; F16-L29 HydrophobicContact CE2-CD1 3.46Å; F16-L29 VanDerWaalsContact CE2-CD1 3.46Å; F16-L29 HydrophobicContact CE2-CG 3.6Å; F16-L29 HydrophobicContact CZ-CD1 4.45Å; F16-L29 HydrophobicContact CZ-CG 4.14Å; S20-L29 VanDerWaalsContact N-CD2 3.29Å; L29-E33 HydrophobicContact CB-CB 4.45Å; L29-E33 HydrophobicContact CD2-CB 3.79Å; L29-L34 HydrophobicContact CB-CB 4.24Å; L29-L34 HydrophobicContact CD1-CD1 4.13Å; L29-L37 HydrophobicContact CD1-CD1 3.72Å; L29-L37 HydrophobicContact CD2-CD1 4.26Å; L29-E69 CarbonylContact O-C 3.49Å; L29-E69 WeakPolarHBondContact O-CA 3.49Å; L29-V70 HydrophobicContact CB-CB 4.27Å; L29-V70 PolarHBondContact N-O 3.48Å; L29-V70 PolarHBondContact O-N 2.77Å; L29-Y75 HydrophobicContact CD1-CD2 4.36Å
30	N	92.6	Very high	90.8	Very high	28 Å²	28	61.5 Å²	61.5	15%	0.15	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	170.6	166.6	73.5	52	0	0	0	110.5	E23 S32 E33 L34	E23-N30 PolarHBondContact O-ND2 3.23Å; N30-S32 VanDerWaalsContact C-N 3.26Å; N30-S32 PolarHBondContact O-N 2.95Å; N30-S32 WeakPolarHBondContact OD1-CA 3.41Å; N30-S32 VanDerWaalsContact OD1-CB 3.26Å; N30-S32 WeakPolarHBondContact OD1-CB 3.48Å; N30-S32 PolarHBondContact OD1-N 3.45Å; N30-E33 PolarHBondContact N-OE2 3.36Å; N30-E33 PolarHBondContact ND2-OE2 2.88Å; N30-E33 VanDerWaalsContact ND2-OE2 3.13Å; N30-E33 PolarHBondContact O-N 2.9Å; N30-E33 PolarHBondContact OD1-N 3.34Å; N30-L34 WeakPolarHBondContact O-CB 3.35Å; N30-L34 PolarHBondContact O-N 2.96Å
31	K	89.1	Confident	90.6	Very high	88 Å²	88	64.9 Å²	64.9	38%	0.383	33%	0.333	S	S	.	.	H	α-helix	trans	-53.5	-38.7	-179.2	-178.9	178.3	156.4	167.3	0	113.9	K35 F55	K31-K35 WeakPolarHBondContact O-CB 3.4Å; K31-K35 PolarHBondContact O-N 2.76Å; K31-F55 HydrophobicContact CG-CE1 3.64Å; K31-F55 HydrophobicContact CG-CZ 4.45Å; K31-F55 WeakPolarHBondContact O-CE1 3.39Å; K31-F55 VanDerWaalsContact O-CZ 3.29Å; K31-F55 WeakPolarHBondContact O-CZ 3.29Å
32	S	90.4	Very high	90.3	Very high	71 Å²	71	64.9 Å²	64.9	50%	0.497	32%	0.324	S	S	.	.	H	α-helix	trans	-70.8	-46.2	-179.9	-171.3	0	0	0	0	110.9	N30 K35 E36	N30-S32 VanDerWaalsContact C-N 3.26Å; N30-S32 PolarHBondContact O-N 2.95Å; N30-S32 WeakPolarHBondContact OD1-CA 3.41Å; N30-S32 VanDerWaalsContact OD1-CB 3.26Å; N30-S32 WeakPolarHBondContact OD1-CB 3.48Å; N30-S32 PolarHBondContact OD1-N 3.45Å; S32-K35 WeakPolarHBondContact O-CB 3.42Å; S32-K35 PolarHBondContact O-N 3.13Å; S32-E36 PolarHBondContact O-N 2.82Å
33	E	93.6	Very high	89.9	Confident	3 Å²	3	64.3 Å²	64.3	1%	0.014	33%	0.329	C	S	.	.	H	α-helix	trans	-65.4	-43.7	-179.6	-66	172	144.2	0	0	111.8	Y19 K22 E23 L29 N30 K35 E36 L37	Y19-E33 WeakPolarHBondContact O-CG 3.32Å; K22-E33 HydrophobicContact CB-CG 4.4Å; K22-E33 WeakPolarHBondContact CB-OE1 3.25Å; K22-E33 PolarHBondContact N-OE1 2.83Å; E23-E33 PolarHBondContact N-OE1 3.44Å; L29-E33 HydrophobicContact CB-CB 4.45Å; L29-E33 HydrophobicContact CD2-CB 3.79Å; N30-E33 PolarHBondContact N-OE2 3.36Å; N30-E33 PolarHBondContact ND2-OE2 2.88Å; N30-E33 VanDerWaalsContact ND2-OE2 3.13Å; N30-E33 PolarHBondContact O-N 2.9Å; N30-E33 PolarHBondContact OD1-N 3.34Å; E33-K35 VanDerWaalsContact C-N 3.3Å; E33-K35 PolarHBondContact O-N 2.86Å; E33-E36 PolarHBondContact O-N 3.29Å; E33-L37 WeakPolarHBondContact O-CB 3.4Å; E33-L37 PolarHBondContact O-N 3.06Å
34	L	90.7	Very high	89.6	Confident	0 Å²	0	64 Å²	64	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-59.8	-43.9	174.1	-179.4	67.1	0	0	0	110.6	L29 N30 E36 L37 L38 F55 M59 L62 V70	L29-L34 HydrophobicContact CB-CB 4.24Å; L29-L34 HydrophobicContact CD1-CD1 4.13Å; N30-L34 WeakPolarHBondContact O-CB 3.35Å; N30-L34 PolarHBondContact O-N 2.96Å; L34-E36 VanDerWaalsContact C-N 3.29Å; L34-E36 PolarHBondContact O-N 2.86Å; L34-L37 PolarHBondContact O-N 3.15Å; L34-L38 HydrophobicContact CD1-CD1 4.26Å; L34-L38 HydrophobicContact CD1-CD2 4.4Å; L34-L38 HydrophobicContact CD1-CG 4.08Å; L34-L38 HydrophobicContact CG-CD1 4.15Å; L34-L38 HydrophobicContact CG-CG 4.3Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.24Å; L34-L38 PolarHBondContact O-N 2.74Å; L34-F55 HydrophobicContact CB-CZ 4.3Å; L34-F55 HydrophobicContact CD2-CE2 4.3Å; L34-F55 HydrophobicContact CD2-CZ 4.24Å; L34-F55 HydrophobicContact CG-CE2 4.27Å; L34-F55 HydrophobicContact CG-CZ 4.26Å; L34-M59 HydrophobicContact CB-SD 4.45Å; L34-M59 HydrophobicContact CD2-SD 3.33Å; L34-M59 WeakPolarHBondContact CD2-SD 3.33Å; L34-L62 HydrophobicContact CD1-CD1 4.4Å; L34-L62 HydrophobicContact CD2-CD1 4.16Å; L34-V70 HydrophobicContact CD2-CG2 4.07Å
35	K	88.3	Confident	88.7	Confident	88 Å²	88	63.7 Å²	63.7	38%	0.383	32%	0.319	S	S	.	.	H	α-helix	trans	-59.1	-44.8	178.7	-168.6	174.1	176.6	179.8	0	111	K31 S32 E33 T39 E52 F55	K31-K35 WeakPolarHBondContact O-CB 3.4Å; K31-K35 PolarHBondContact O-N 2.76Å; S32-K35 WeakPolarHBondContact O-CB 3.42Å; S32-K35 PolarHBondContact O-N 3.13Å; E33-K35 VanDerWaalsContact C-N 3.3Å; E33-K35 PolarHBondContact O-N 2.86Å; K35-T39 WeakPolarHBondContact O-CB 3.28Å; K35-T39 PolarHBondContact O-N 3.23Å; K35-T39 PolarHBondContact O-OG1 3.5Å; K35-E52 IonicContact NZ-OE1 3.06Å; K35-E52 PolarHBondContact NZ-OE1 3.24Å; K35-F55 VanDerWaalsContact CA-CZ 3.45Å; K35-F55 HydrophobicContact CB-CE1 3.77Å; K35-F55 HydrophobicContact CB-CE2 3.84Å; K35-F55 HydrophobicContact CB-CZ 3.38Å; K35-F55 HydrophobicContact CD-CD1 4.39Å; K35-F55 HydrophobicContact CD-CE1 4.23Å; K35-F55 HydrophobicContact CG-CD2 4.48Å; K35-F55 HydrophobicContact CG-CE1 4.16Å; K35-F55 HydrophobicContact CG-CE2 4.15Å; K35-F55 HydrophobicContact CG-CZ 4.01Å
36	E	91.1	Very high	87.6	Confident	47 Å²	47	62.3 Å²	62.3	22%	0.22	31%	0.312	C	S	.	.	H	α-helix	trans	-67.1	-44.5	179.4	-161	-171.4	166.1	0	0	111.9	Y19 K22 S32 E33 L34 L38 T39 R40	Y19-E36 HydrophobicContact CD1-CB 4.11Å; Y19-E36 HydrophobicContact CD1-CG 4.25Å; Y19-E36 HydrophobicContact CE1-CB 4.16Å; Y19-E36 HydrophobicContact CE1-CG 3.87Å; K22-E36 IonicContact NZ-OE1 3.2Å; K22-E36 PolarHBondContact NZ-OE1 3.01Å; K22-E36 IonicContact NZ-OE2 2.62Å; K22-E36 PolarHBondContact NZ-OE2 2.73Å; S32-E36 PolarHBondContact O-N 2.82Å; E33-E36 PolarHBondContact O-N 3.29Å; L34-E36 VanDerWaalsContact C-N 3.29Å; L34-E36 PolarHBondContact O-N 2.86Å; E36-L38 PolarHBondContact O-N 3.35Å; E36-T39 PolarHBondContact O-N 2.92Å; E36-R40 HydrophobicContact CG-CG 4.31Å; E36-R40 WeakPolarHBondContact O-CB 3.45Å; E36-R40 WeakPolarHBondContact O-CG 3.34Å; E36-R40 PolarHBondContact O-N 3.22Å; E36-R40 IonicContact OE1-CZ 2.83Å; E36-R40 IonicContact OE1-NE 3.08Å; E36-R40 PolarHBondContact OE1-NE 3.04Å; E36-R40 IonicContact OE1-NH1 2.73Å; E36-R40 IonicContact OE1-NH2 3.78Å; E36-R40 PolarHBondContact OE1-NH2 3.5Å; E36-R40 VanDerWaalsContact OE1-NH2 3.15Å
37	L	92.5	Very high	86.1	Confident	0 Å²	0	58 Å²	58	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-55.2	-53.1	176.5	-174.8	160.1	0	0	0	110.3	T15 Y19 L29 E33 L34 T39 R40 E41 Y75	T15-L37 HydrophobicContact CG2-CG 4.48Å; Y19-L37 HydrophobicContact CD1-CB 4.14Å; Y19-L37 HydrophobicContact CD2-CB 3.71Å; Y19-L37 HydrophobicContact CD2-CD1 3.81Å; Y19-L37 HydrophobicContact CD2-CG 3.67Å; Y19-L37 HydrophobicContact CE2-CB 4.16Å; Y19-L37 HydrophobicContact CE2-CG 4.06Å; Y19-L37 HydrophobicContact CG-CB 3.73Å; Y19-L37 HydrophobicContact CG-CD1 4.26Å; Y19-L37 HydrophobicContact CG-CG 4.18Å; L29-L37 HydrophobicContact CD1-CD1 3.72Å; L29-L37 HydrophobicContact CD2-CD1 4.26Å; E33-L37 WeakPolarHBondContact O-CB 3.4Å; E33-L37 PolarHBondContact O-N 3.06Å; L34-L37 PolarHBondContact O-N 3.15Å; L37-T39 VanDerWaalsContact C-N 3.32Å; L37-T39 PolarHBondContact O-N 3.39Å; L37-R40 PolarHBondContact O-N 3.22Å; L37-E41 HydrophobicContact CG-CG 4.43Å; L37-E41 VanDerWaalsContact O-CB 3.3Å; L37-E41 WeakPolarHBondContact O-CB 3.38Å; L37-E41 WeakPolarHBondContact O-CG 3.48Å; L37-E41 PolarHBondContact O-N 3Å; L37-Y75 HydrophobicContact CD1-CE2 3.9Å; L37-Y75 HydrophobicContact CD2-CE2 3.97Å
38	L	87.5	Confident	84.1	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-63.4	-40	-178.2	-64.9	-176	0	0	0	111.6	L34 E36 L42 L46 F55 L58 F78	L34-L38 HydrophobicContact CD1-CD1 4.26Å; L34-L38 HydrophobicContact CD1-CD2 4.4Å; L34-L38 HydrophobicContact CD1-CG 4.08Å; L34-L38 HydrophobicContact CG-CD1 4.15Å; L34-L38 HydrophobicContact CG-CG 4.3Å; L34-L38 VanDerWaalsContact O-CG 3.28Å; L34-L38 WeakPolarHBondContact O-CG 3.24Å; L34-L38 PolarHBondContact O-N 2.74Å; E36-L38 PolarHBondContact O-N 3.35Å; L38-L42 HydrophobicContact CD2-CD1 3.87Å; L38-L42 CarbonylContact O-C 3.09Å; L38-L42 WeakPolarHBondContact O-CA 3.33Å; L38-L42 PolarHBondContact O-N 2.91Å; L38-L42 VanDerWaalsContact O-N 3.1Å; L38-L46 HydrophobicContact CB-CD1 3.47Å; L38-L46 VanDerWaalsContact CB-CD1 3.47Å; L38-L46 HydrophobicContact CB-CD2 4.4Å; L38-L46 HydrophobicContact CB-CG 3.96Å; L38-L46 HydrophobicContact CD1-CD2 4.42Å; L38-L46 WeakPolarHBondContact O-CD1 3.33Å; L38-F55 HydrophobicContact CD1-CD2 4.48Å; L38-F55 HydrophobicContact CD1-CE2 4.02Å; L38-L58 HydrophobicContact CD1-CD2 3.33Å; L38-L58 HydrophobicContact CD1-CG 4.49Å; L38-F78 HydrophobicContact CD2-CD1 4.34Å; L38-F78 HydrophobicContact CD2-CE1 3.3Å; L38-F78 HydrophobicContact CD2-CZ 3.64Å
39	T	86.1	Confident	82.1	Confident	78 Å²	78	67.2 Å²	67.2	48%	0.479	34%	0.342	S	S	.	.	H	α-helix	trans	-69.1	-36.8	-178	-54.3	0	0	0	0	112	K35 E36 L37	K35-T39 WeakPolarHBondContact O-CB 3.28Å; K35-T39 PolarHBondContact O-N 3.23Å; K35-T39 PolarHBondContact O-OG1 3.5Å; E36-T39 PolarHBondContact O-N 2.92Å; L37-T39 VanDerWaalsContact C-N 3.32Å; L37-T39 PolarHBondContact O-N 3.39Å
40	R	90.2	Very high	80.3	Confident	165 Å²	165	73.6 Å²	73.6	62%	0.623	38%	0.381	S	S	*	.	H	α-helix	trans	-90	-41.7	-175.5	-68.3	-168.4	-178.8	-152.1	6.2	113.6	Y19 E36 L37	Y19-R40 WeakPolarHBondContact OH-CB 3.37Å; E36-R40 HydrophobicContact CG-CG 4.31Å; E36-R40 WeakPolarHBondContact O-CB 3.45Å; E36-R40 WeakPolarHBondContact O-CG 3.34Å; E36-R40 PolarHBondContact O-N 3.22Å; E36-R40 IonicContact OE1-CZ 2.83Å; E36-R40 IonicContact OE1-NE 3.08Å; E36-R40 PolarHBondContact OE1-NE 3.04Å; E36-R40 IonicContact OE1-NH1 2.73Å; E36-R40 IonicContact OE1-NH2 3.78Å; E36-R40 PolarHBondContact OE1-NH2 3.5Å; E36-R40 VanDerWaalsContact OE1-NH2 3.15Å; L37-R40 PolarHBondContact O-N 3.22Å
41	E	91.1	Very high	79.3	Confident	71 Å²	71	77 Å²	77	33%	0.332	40%	0.399	S	S	.	.	H	α-helix	trans	-96.7	-25.2	-171.9	-49.9	-65.1	170.5	0	0	112	T15 K18 Y19 L37	T15-E41 HydrophobicContact CG2-CB 4.23Å; T15-E41 HydrophobicContact CG2-CG 3.63Å; K18-E41 IonicContact NZ-OE1 2.64Å; K18-E41 PolarHBondContact NZ-OE1 3.48Å; Y19-E41 HydrophobicContact CE2-CG 3.54Å; Y19-E41 VanDerWaalsContact CE2-OE1 3.26Å; Y19-E41 WeakPolarHBondContact CE2-OE1 3.49Å; Y19-E41 PolarHBondContact OH-OE1 3.17Å; L37-E41 HydrophobicContact CG-CG 4.43Å; L37-E41 VanDerWaalsContact O-CB 3.3Å; L37-E41 WeakPolarHBondContact O-CB 3.38Å; L37-E41 WeakPolarHBondContact O-CG 3.48Å; L37-E41 PolarHBondContact O-N 3Å
42	L	85.1	Confident	78.8	Confident	41 Å²	41	76.9 Å²	76.9	22%	0.215	40%	0.4	C	S	.	.			trans	-127.4	50.1	-179	-63	171.9	0	0	0	113.3	L38 S44 F45 L46 F78 L79 I82	L38-L42 HydrophobicContact CD2-CD1 3.87Å; L38-L42 CarbonylContact O-C 3.09Å; L38-L42 WeakPolarHBondContact O-CA 3.33Å; L38-L42 PolarHBondContact O-N 2.91Å; L38-L42 VanDerWaalsContact O-N 3.1Å; L42-S44 VanDerWaalsContact C-N 3.27Å; L42-S44 PolarHBondContact O-N 3.37Å; L42-F45 HydrophobicContact CB-CB 4.1Å; L42-F45 WeakPolarHBondContact O-CB 3.35Å; L42-F45 PolarHBondContact O-N 3.26Å; L42-L46 PolarHBondContact O-N 2.94Å; L42-F78 HydrophobicContact CD1-CE1 3.82Å; L42-F78 HydrophobicContact CD1-CZ 4.49Å; L42-L79 HydrophobicContact CD1-CD2 4.24Å; L42-I82 HydrophobicContact CD1-CD1 3.67Å
43	P	82.3	Confident	78.4	Confident	80 Å²	80	76.7 Å²	76.7	52%	0.519	40%	0.402	S	S	.	.	H	α-helix	trans	-61.3	-33.9	-174.2	25.6	-35.2	0	0	0	113.2	F45 G47	P43-F45 VanDerWaalsContact C-N 3.28Å; P43-F45 PolarHBondContact O-N 2.66Å; P43-G47 PolarHBondContact O-N 3.4Å
44	S	77.3	Confident	77.8	Confident	119 Å²	119	78.5 Å²	78.5	83%	0.832	42%	0.418	S	S	*	.	H	α-helix	trans	-68.7	-26.4	177.5	-55.8	0	0	0	0	113.2	L42	L42-S44 VanDerWaalsContact C-N 3.27Å; L42-S44 PolarHBondContact O-N 3.37Å
45	F	69.5	Low	77.4	Confident	67 Å²	67	79 Å²	79	29%	0.294	42%	0.42	S	S	.	.	H	α-helix	trans	-81.9	-39.8	-178.5	-169	-101.2	0	0	0	111.9	L42 P43 F78 I82 M85	L42-F45 HydrophobicContact CB-CB 4.1Å; L42-F45 WeakPolarHBondContact O-CB 3.35Å; L42-F45 PolarHBondContact O-N 3.26Å; P43-F45 VanDerWaalsContact C-N 3.28Å; P43-F45 PolarHBondContact O-N 2.66Å; F45-F78 HydrophobicContact CD1-CE2 4.4Å; F45-F78 AromaticContact CD1-CZ 3.9Å; F45-F78 HydrophobicContact CD1-CZ 3.9Å; F45-F78 AromaticContact CE1-CE2 3.63Å; F45-F78 HydrophobicContact CE1-CE2 3.63Å; F45-F78 AromaticContact CE1-CZ 3.59Å; F45-F78 HydrophobicContact CE1-CZ 3.59Å; F45-F78 HydrophobicContact CZ-CE2 4.15Å; F45-F78 HydrophobicContact CZ-CZ 4.39Å; F45-I82 HydrophobicContact CD1-CD1 4.15Å; F45-I82 HydrophobicContact CD2-CD1 4.15Å; F45-I82 HydrophobicContact CD2-CG1 3.95Å; F45-I82 HydrophobicContact CD2-CG2 4.38Å; F45-I82 HydrophobicContact CE1-CD1 4.22Å; F45-I82 HydrophobicContact CE1-CG1 4.26Å; F45-I82 HydrophobicContact CE2-CD1 4.23Å; F45-I82 HydrophobicContact CE2-CG1 3.64Å; F45-I82 HydrophobicContact CG-CD1 4.11Å; F45-I82 HydrophobicContact CG-CG1 4.4Å; F45-I82 HydrophobicContact CZ-CD1 4.25Å; F45-I82 HydrophobicContact CZ-CG1 3.8Å; F45-M85 HydrophobicContact CE2-CE 4.39Å; F45-M85 HydrophobicContact CE2-SD 3.92Å; F45-M85 HydrophobicContact CZ-SD 4.28Å
46	L	65.9	Low	77.2	Confident	30 Å²	30	78.3 Å²	78.3	16%	0.157	42%	0.418	C	S	.	.	H	α-helix	trans	-69	-32.6	175.6	-84	173.8	0	0	0	112.7	L38 L42 R49	L38-L46 HydrophobicContact CB-CD1 3.47Å; L38-L46 VanDerWaalsContact CB-CD1 3.47Å; L38-L46 HydrophobicContact CB-CD2 4.4Å; L38-L46 HydrophobicContact CB-CG 3.96Å; L38-L46 HydrophobicContact CD1-CD2 4.42Å; L38-L46 WeakPolarHBondContact O-CD1 3.33Å; L42-L46 PolarHBondContact O-N 2.94Å; L46-R49 VanDerWaalsContact O-CB 3.28Å; L46-R49 WeakPolarHBondContact O-CB 3.41Å; L46-R49 PolarHBondContact O-N 2.56Å
47	G	60.8	Low	77	Confident	48 Å²	48	83 Å²	83	50%	0.495	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	-150.7	177.4	0	0	0	0	0	113.5	P43 R49	P43-G47 PolarHBondContact O-N 3.4Å; G47-R49 PolarHBondContact O-N 2.88Å
48	K	52.1	Low	76.6	Confident	211 Å²	211	84.4 Å²	84.4	92%	0.917	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	6.4	174.4	-65.5	-174.2	179.8	-179.6	0	114.1	T50	K48-T50 PolarHBondContact O-N 3.38Å
49	R	52.8	Low	76.5	Confident	177 Å²	177	84.9 Å²	84.9	67%	0.668	45%	0.447	S	S	*	.			trans	-83.9	64.9	178.5	-53.5	-171.4	-140.7	-169.5	5.7	109.7	L46 G47 D51	L46-R49 VanDerWaalsContact O-CB 3.28Å; L46-R49 WeakPolarHBondContact O-CB 3.41Å; L46-R49 PolarHBondContact O-N 2.56Å; G47-R49 PolarHBondContact O-N 2.88Å; R49-D51 PolarHBondContact O-N 2.85Å
50	T	58.3	Low	76.5	Confident	133 Å²	133	85.1 Å²	85.1	82%	0.816	45%	0.452	S	S	*	.			trans	-84.9	19	165.9	44.3	0	0	0	0	111.9	K48	K48-T50 PolarHBondContact O-N 3.38Å
51	D	70.8	Confident	76.4	Confident	99 Å²	99	82.4 Å²	82.4	53%	0.529	45%	0.45	S	S	.	.			trans	-80.6	120.1	177.4	-163	-43.5	0	0	0	109.3	R49 A53 A54 F55	R49-D51 PolarHBondContact O-N 2.85Å; D51-A53 PolarHBondContact O-N 3.39Å; D51-A53 VanDerWaalsContact OD1-CB 3.29Å; D51-A53 WeakPolarHBondContact OD1-CB 3.43Å; D51-A53 PolarHBondContact OD1-N 2.93Å; D51-A54 HydrophobicContact CB-CB 4.17Å; D51-A54 WeakPolarHBondContact O-CB 3.46Å; D51-A54 PolarHBondContact O-N 3.32Å; D51-F55 PolarHBondContact O-N 2.86Å
52	E	78.4	Confident	76.2	Confident	87 Å²	87	79.7 Å²	79.7	41%	0.407	44%	0.438	S	S	.	.	H	α-helix	trans	-53	-34.6	175.7	-82.7	-65.8	146.2	0	0	112.1	K35 F55 Q56	K35-E52 IonicContact NZ-OE1 3.06Å; K35-E52 PolarHBondContact NZ-OE1 3.24Å; E52-F55 PolarHBondContact O-N 3.27Å; E52-Q56 WeakPolarHBondContact O-CG 3.45Å; E52-Q56 PolarHBondContact O-N 3.47Å
53	A	82.8	Confident	76.5	Confident	67 Å²	67	78.3 Å²	78.3	55%	0.554	43%	0.431	S	S	*	.	H	α-helix	trans	-68.1	-38.8	178.3	0	0	0	0	0	112	D51 F55 Q56 K57	D51-A53 PolarHBondContact O-N 3.39Å; D51-A53 VanDerWaalsContact OD1-CB 3.29Å; D51-A53 WeakPolarHBondContact OD1-CB 3.43Å; D51-A53 PolarHBondContact OD1-N 2.93Å; A53-F55 VanDerWaalsContact C-N 3.34Å; A53-Q56 PolarHBondContact O-N 3.04Å; A53-K57 WeakPolarHBondContact O-CB 3.14Å; A53-K57 PolarHBondContact O-N 2.95Å
54	A	80.7	Confident	76.9	Confident	40 Å²	40	78.9 Å²	78.9	33%	0.331	44%	0.437	S	S	.	.	H	α-helix	trans	-67	-39	175.3	0	0	0	0	0	111.1	D51 K57 L58	D51-A54 HydrophobicContact CB-CB 4.17Å; D51-A54 WeakPolarHBondContact O-CB 3.46Å; D51-A54 PolarHBondContact O-N 3.32Å; A54-K57 PolarHBondContact O-N 3.38Å; A54-L58 WeakPolarHBondContact O-CB 3.41Å; A54-L58 PolarHBondContact O-N 3.41Å
55	F	82.8	Confident	77.5	Confident	12 Å²	12	76.9 Å²	76.9	5%	0.053	42%	0.417	C	S	.	.	H	α-helix	trans	-67	-41.3	175.1	-176.7	-107.9	0	0	0	112.2	K31 L34 K35 L38 D51 E52 A53 K57 L58 M59	K31-F55 HydrophobicContact CG-CE1 3.64Å; K31-F55 HydrophobicContact CG-CZ 4.45Å; K31-F55 WeakPolarHBondContact O-CE1 3.39Å; K31-F55 VanDerWaalsContact O-CZ 3.29Å; K31-F55 WeakPolarHBondContact O-CZ 3.29Å; L34-F55 HydrophobicContact CB-CZ 4.3Å; L34-F55 HydrophobicContact CD2-CE2 4.3Å; L34-F55 HydrophobicContact CD2-CZ 4.24Å; L34-F55 HydrophobicContact CG-CE2 4.27Å; L34-F55 HydrophobicContact CG-CZ 4.26Å; K35-F55 VanDerWaalsContact CA-CZ 3.45Å; K35-F55 HydrophobicContact CB-CE1 3.77Å; K35-F55 HydrophobicContact CB-CE2 3.84Å; K35-F55 HydrophobicContact CB-CZ 3.38Å; K35-F55 HydrophobicContact CD-CD1 4.39Å; K35-F55 HydrophobicContact CD-CE1 4.23Å; K35-F55 HydrophobicContact CG-CD2 4.48Å; K35-F55 HydrophobicContact CG-CE1 4.16Å; K35-F55 HydrophobicContact CG-CE2 4.15Å; K35-F55 HydrophobicContact CG-CZ 4.01Å; L38-F55 HydrophobicContact CD1-CD2 4.48Å; L38-F55 HydrophobicContact CD1-CE2 4.02Å; D51-F55 PolarHBondContact O-N 2.86Å; E52-F55 PolarHBondContact O-N 3.27Å; A53-F55 VanDerWaalsContact C-N 3.34Å; F55-K57 VanDerWaalsContact C-N 3.34Å; F55-K57 PolarHBondContact O-N 2.68Å; F55-L58 WeakPolarHBondContact O-CB 3.36Å; F55-L58 PolarHBondContact O-N 3.5Å; F55-M59 PolarHBondContact O-N 3.01Å
56	Q	84	Confident	78.5	Confident	72 Å²	72	83.9 Å²	83.9	34%	0.336	44%	0.441	S	S	.	.	H	α-helix	trans	-60.2	-44.2	173.1	-73.2	-35.2	-88.5	0	0	112.1	E52 A53 L58 M59 S60	E52-Q56 WeakPolarHBondContact O-CG 3.45Å; E52-Q56 PolarHBondContact O-N 3.47Å; A53-Q56 PolarHBondContact O-N 3.04Å; Q56-L58 VanDerWaalsContact C-N 3.3Å; Q56-L58 PolarHBondContact O-N 2.77Å; Q56-M59 PolarHBondContact O-N 3.28Å; Q56-S60 WeakPolarHBondContact O-CB 3.26Å; Q56-S60 PolarHBondContact O-N 3.08Å
57	K	85.3	Confident	79.7	Confident	145 Å²	145	84.9 Å²	84.9	63%	0.63	45%	0.447	S	S	*	.	H	α-helix	trans	-63.5	-39.5	177.3	-171	175.6	-177.8	178.7	0	111.4	A53 A54 F55 N61	A53-K57 WeakPolarHBondContact O-CB 3.14Å; A53-K57 PolarHBondContact O-N 2.95Å; A54-K57 PolarHBondContact O-N 3.38Å; F55-K57 VanDerWaalsContact C-N 3.34Å; F55-K57 PolarHBondContact O-N 2.68Å; K57-N61 WeakPolarHBondContact O-CB 3.42Å; K57-N61 PolarHBondContact O-N 2.62Å; K57-N61 PolarHBondContact O-ND2 2.94Å; K57-N61 VanDerWaalsContact O-ND2 3.15Å
58	L	84.8	Confident	81	Confident	30 Å²	30	88.5 Å²	88.5	16%	0.157	46%	0.455	C	S	.	.	H	α-helix	trans	-62	-51.9	174.6	178.8	61.5	0	0	0	110.8	L38 A54 F55 Q56 S60 N61 L62 F78	L38-L58 HydrophobicContact CD1-CD2 3.33Å; L38-L58 HydrophobicContact CD1-CG 4.49Å; A54-L58 WeakPolarHBondContact O-CB 3.41Å; A54-L58 PolarHBondContact O-N 3.41Å; F55-L58 WeakPolarHBondContact O-CB 3.36Å; F55-L58 PolarHBondContact O-N 3.5Å; Q56-L58 VanDerWaalsContact C-N 3.3Å; Q56-L58 PolarHBondContact O-N 2.77Å; L58-S60 VanDerWaalsContact C-N 3.32Å; L58-S60 PolarHBondContact O-N 3.35Å; L58-N61 WeakPolarHBondContact O-CB 3.3Å; L58-N61 PolarHBondContact O-N 3.11Å; L58-L62 HydrophobicContact CD1-CD1 4.25Å; L58-L62 HydrophobicContact CD1-CG 4.23Å; L58-L62 HydrophobicContact CG-CD1 4.31Å; L58-L62 WeakPolarHBondContact O-CG 3.28Å; L58-L62 PolarHBondContact O-N 2.88Å; L58-L62 VanDerWaalsContact O-N 3.08Å; L58-F78 HydrophobicContact CD1-CD2 4.32Å; L58-F78 HydrophobicContact CD1-CE2 3.82Å
59	M	85.5	Confident	83	Confident	10 Å²	10	80.6 Å²	80.6	5%	0.049	42%	0.421	C	S	.	.	H	α-helix	trans	-51.9	-51.5	176.5	-175.4	75.2	-173.4	0	0	111	L34 F55 Q56 N61 L62 D63 N68 V70	L34-M59 HydrophobicContact CB-SD 4.45Å; L34-M59 HydrophobicContact CD2-SD 3.33Å; L34-M59 WeakPolarHBondContact CD2-SD 3.33Å; F55-M59 PolarHBondContact O-N 3.01Å; Q56-M59 PolarHBondContact O-N 3.28Å; M59-N61 PolarHBondContact O-N 3.04Å; M59-L62 PolarHBondContact O-N 3.34Å; M59-D63 WeakPolarHBondContact O-CB 3.44Å; M59-D63 PolarHBondContact O-N 3.03Å; M59-N68 VanDerWaalsContact CE-C 3.49Å; M59-N68 WeakPolarHBondContact CE-O 3.47Å; M59-V70 HydrophobicContact CE-CG2 3.74Å; M59-V70 HydrophobicContact SD-CG2 3.79Å
60	S	87.3	Confident	84.9	Confident	84 Å²	84	72.1 Å²	72.1	59%	0.587	39%	0.389	S	S	*	.	H	α-helix	trans	-64.6	-22.4	179.3	178	0	0	0	0	114.3	Q56 L58	Q56-S60 WeakPolarHBondContact O-CB 3.26Å; Q56-S60 PolarHBondContact O-N 3.08Å; L58-S60 VanDerWaalsContact C-N 3.32Å; L58-S60 PolarHBondContact O-N 3.35Å
61	N	86.4	Confident	86.7	Confident	107 Å²	107	67.7 Å²	67.7	57%	0.572	36%	0.36	S	S	*	.	H	α-helix	trans	-82	-25	174.3	-71.6	-27.1	0	0	0	112	K57 L58 M59	K57-N61 WeakPolarHBondContact O-CB 3.42Å; K57-N61 PolarHBondContact O-N 2.62Å; K57-N61 PolarHBondContact O-ND2 2.94Å; K57-N61 VanDerWaalsContact O-ND2 3.15Å; L58-N61 WeakPolarHBondContact O-CB 3.3Å; L58-N61 PolarHBondContact O-N 3.11Å; M59-N61 PolarHBondContact O-N 3.04Å
62	L	87.9	Confident	87.8	Confident	14 Å²	14	66.3 Å²	66.3	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-86.5	-46	179	-62.9	-171.8	0	0	0	111.3	L34 L58 M59 S64 V70 E74 F78	L34-L62 HydrophobicContact CD1-CD1 4.4Å; L34-L62 HydrophobicContact CD2-CD1 4.16Å; L58-L62 HydrophobicContact CD1-CD1 4.25Å; L58-L62 HydrophobicContact CD1-CG 4.23Å; L58-L62 HydrophobicContact CG-CD1 4.31Å; L58-L62 WeakPolarHBondContact O-CG 3.28Å; L58-L62 PolarHBondContact O-N 2.88Å; L58-L62 VanDerWaalsContact O-N 3.08Å; M59-L62 PolarHBondContact O-N 3.34Å; L62-S64 VanDerWaalsContact C-N 3.28Å; L62-S64 PolarHBondContact O-N 3Å; L62-S64 PolarHBondContact O-OG 3.15Å; L62-V70 HydrophobicContact CB-CG1 4.3Å; L62-V70 HydrophobicContact CB-CG2 3.88Å; L62-E74 WeakPolarHBondContact O-CB 3.3Å; L62-E74 VanDerWaalsContact O-CG 3.28Å; L62-E74 WeakPolarHBondContact O-CG 3.4Å; L62-F78 HydrophobicContact CD1-CB 4.06Å; L62-F78 HydrophobicContact CD1-CD1 4.36Å; L62-F78 HydrophobicContact CD1-CD2 3.98Å; L62-F78 HydrophobicContact CD1-CE2 4.5Å; L62-F78 HydrophobicContact CD1-CG 3.86Å; L62-F78 HydrophobicContact CD2-CB 3.55Å; L62-F78 HydrophobicContact CD2-CD2 3.67Å; L62-F78 HydrophobicContact CD2-CG 3.87Å; L62-F78 HydrophobicContact CG-CB 4.44Å; L62-F78 HydrophobicContact CG-CD2 4.39Å
63	D	90.6	Very high	88.6	Confident	12 Å²	12	69 Å²	69	6%	0.064	36%	0.362	C	S	.	.			trans	-68.1	82.2	175.2	177.7	15.3	0	0	0	110.4	M59 N65 R66 D67 N68	M59-D63 WeakPolarHBondContact O-CB 3.44Å; M59-D63 PolarHBondContact O-N 3.03Å; D63-N65 PolarHBondContact OD1-OD1 3.46Å; D63-R66 WeakPolarHBondContact OD1-CA 3.41Å; D63-R66 PolarHBondContact OD1-N 3.46Å; D63-R66 WeakPolarHBondContact OD2-CA 3.36Å; D63-D67 PolarHBondContact OD1-N 3.23Å; D63-D67 PolarHBondContact OD2-N 2.93Å; D63-N68 WeakPolarHBondContact OD2-CA 3.45Å; D63-N68 PolarHBondContact OD2-N 2.88Å
64	S	90	Very high	89.1	Confident	93 Å²	93	66.1 Å²	66.1	65%	0.65	34%	0.337	S	S	*	.	S	Bend	trans	-78.7	-33	-177.7	-62.6	0	0	0	0	110.9	L62 R66 E74	L62-S64 VanDerWaalsContact C-N 3.28Å; L62-S64 PolarHBondContact O-N 3Å; L62-S64 PolarHBondContact O-OG 3.15Å; S64-R66 VanDerWaalsContact C-N 3.32Å; S64-E74 WeakPolarHBondContact CA-OE1 3.31Å; S64-E74 WeakPolarHBondContact CB-OE1 3.34Å; S64-E74 PolarHBondContact N-OE1 3.2Å
65	N	90.6	Very high	89.7	Confident	77 Å²	77	64.7 Å²	64.7	41%	0.412	32%	0.324	S	S	.	.	S	Bend	trans	-80.7	-13	179.2	74.5	27.4	0	0	0	112.9	D63 D67 E74	D63-N65 PolarHBondContact OD1-OD1 3.46Å; N65-D67 PolarHBondContact ND2-OD2 2.83Å; N65-D67 VanDerWaalsContact ND2-OD2 3.14Å; N65-D67 VanDerWaalsContact OD1-CB 3.28Å; N65-D67 WeakPolarHBondContact OD1-CB 3.4Å; N65-D67 PolarHBondContact OD1-N 2.98Å; N65-D67 PolarHBondContact OD1-OD1 3.43Å; N65-D67 VanDerWaalsContact OD1-OD1 3.13Å; N65-D67 PolarHBondContact OD1-OD2 3.34Å; N65-E74 PolarHBondContact N-OE1 3.1Å; N65-E74 VanDerWaalsContact N-OE1 3.13Å
66	R	90	Very high	90.3	Very high	213 Å²	213	65.8 Å²	65.8	80%	0.804	33%	0.332	S	S	*	.			trans	64.8	35.5	178.2	-55.6	-174.5	-178.5	-179.1	0.8	114.4	D63 S64	D63-R66 WeakPolarHBondContact OD1-CA 3.41Å; D63-R66 PolarHBondContact OD1-N 3.46Å; D63-R66 WeakPolarHBondContact OD2-CA 3.36Å; S64-R66 VanDerWaalsContact C-N 3.32Å
67	D	91.1	Very high	90.6	Very high	51 Å²	51	66.2 Å²	66.2	27%	0.273	34%	0.34	S	S	.	.	S	Bend	trans	-90.6	-1.6	175.9	70.9	13	0	0	0	113.8	K28 D63 N65 E69	K28-D67 IonicContact NZ-OD2 2.63Å; K28-D67 PolarHBondContact NZ-OD2 3Å; D63-D67 PolarHBondContact OD1-N 3.23Å; D63-D67 PolarHBondContact OD2-N 2.93Å; N65-D67 PolarHBondContact ND2-OD2 2.83Å; N65-D67 VanDerWaalsContact ND2-OD2 3.14Å; N65-D67 VanDerWaalsContact OD1-CB 3.28Å; N65-D67 WeakPolarHBondContact OD1-CB 3.4Å; N65-D67 PolarHBondContact OD1-N 2.98Å; N65-D67 PolarHBondContact OD1-OD1 3.43Å; N65-D67 VanDerWaalsContact OD1-OD1 3.13Å; N65-D67 PolarHBondContact OD1-OD2 3.34Å; D67-E69 WeakPolarHBondContact OD1-CA 3.47Å; D67-E69 WeakPolarHBondContact OD1-CB 3.43Å; D67-E69 PolarHBondContact OD1-N 3.44Å; D67-E69 VanDerWaalsContact OD1-O 3.13Å
68	N	89	Confident	90.8	Very high	124 Å²	124	59.7 Å²	59.7	66%	0.663	31%	0.311	S	S	*	.	S	Bend	trans	68.4	16.7	-174.6	-48.7	-87.7	0	0	0	114.6	M59 D63	M59-N68 VanDerWaalsContact CE-C 3.49Å; M59-N68 WeakPolarHBondContact CE-O 3.47Å; D63-N68 WeakPolarHBondContact OD2-CA 3.45Å; D63-N68 PolarHBondContact OD2-N 2.88Å
69	E	93.1	Very high	91.1	Very high	45 Å²	45	59.5 Å²	59.5	21%	0.21	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	169.3	169.7	-55.3	-173.8	125.6	0	0	109	K28 L29 D67	K28-E69 HydrophobicContact CB-CB 3.77Å; K28-E69 HydrophobicContact CD-CB 3.96Å; K28-E69 WeakPolarHBondContact CD-OE2 3.44Å; L29-E69 CarbonylContact O-C 3.49Å; L29-E69 WeakPolarHBondContact O-CA 3.49Å; D67-E69 WeakPolarHBondContact OD1-CA 3.47Å; D67-E69 WeakPolarHBondContact OD1-CB 3.43Å; D67-E69 PolarHBondContact OD1-N 3.44Å; D67-E69 VanDerWaalsContact OD1-O 3.13Å
70	V	94.6	Very high	91.3	Very high	0 Å²	0	62 Å²	62	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	112.3	176.8	176	0	0	0	0	108.5	K28 L29 L34 M59 L62 E74	K28-V70 CarbonylContact C-O 3.54Å; K28-V70 WeakPolarHBondContact CA-O 3.42Å; L29-V70 HydrophobicContact CB-CB 4.27Å; L29-V70 PolarHBondContact N-O 3.48Å; L29-V70 PolarHBondContact O-N 2.77Å; L34-V70 HydrophobicContact CD2-CG2 4.07Å; M59-V70 HydrophobicContact CE-CG2 3.74Å; M59-V70 HydrophobicContact SD-CG2 3.79Å; L62-V70 HydrophobicContact CB-CG1 4.3Å; L62-V70 HydrophobicContact CB-CG2 3.88Å; V70-E74 WeakPolarHBondContact CA-OE2 3.29Å; V70-E74 HydrophobicContact CG1-CB 3.72Å
71	D	95.3	Very high	91.2	Very high	39 Å²	39	60.8 Å²	60.8	21%	0.209	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	173.5	176.6	74.1	36.9	0	0	0	112.3	K28 Q73 E74 Y75	K28-D71 HydrophobicContact CG-CB 4.12Å; D71-Q73 VanDerWaalsContact C-N 3.27Å; D71-Q73 PolarHBondContact O-N 3.4Å; D71-Q73 WeakPolarHBondContact OD1-CA 3.47Å; D71-Q73 VanDerWaalsContact OD1-CB 3.24Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.25Å; D71-Q73 PolarHBondContact OD1-N 3.06Å; D71-E74 PolarHBondContact N-OE2 2.72Å; D71-E74 PolarHBondContact O-N 3.45Å; D71-E74 PolarHBondContact OD1-N 3.05Å; D71-Y75 WeakPolarHBondContact O-CB 3.48Å; D71-Y75 PolarHBondContact O-N 3.31Å
72	F	94.7	Very high	91.1	Very high	70 Å²	70	56.7 Å²	56.7	31%	0.307	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-32.9	-178.2	-172.5	-107.3	0	0	0	113	V13 F16 Y75 C76	V13-F72 HydrophobicContact CB-CZ 4.46Å; V13-F72 HydrophobicContact CG2-CE1 4.44Å; V13-F72 HydrophobicContact CG2-CE2 4.18Å; V13-F72 HydrophobicContact CG2-CZ 3.63Å; F16-F72 HydrophobicContact CB-CD2 3.94Å; F16-F72 HydrophobicContact CB-CE2 4.02Å; F16-F72 HydrophobicContact CD1-CB 4.49Å; F16-F72 AromaticContact CD1-CD2 3.75Å; F16-F72 HydrophobicContact CD1-CD2 3.75Å; F16-F72 AromaticContact CD2-CD2 4Å; F16-F72 HydrophobicContact CD2-CD2 4Å; F16-F72 HydrophobicContact CE1-CB 4.11Å; F16-F72 HydrophobicContact CE1-CD2 4.22Å; F16-F72 HydrophobicContact CE2-CB 4.48Å; F16-F72 HydrophobicContact CE2-CD2 4.42Å; F16-F72 AromaticContact CG-CD2 3.63Å; F16-F72 HydrophobicContact CG-CD2 3.63Å; F16-F72 HydrophobicContact CG-CE2 4.23Å; F16-F72 HydrophobicContact CZ-CB 4.11Å; F72-Y75 HydrophobicContact CD2-CD1 4.04Å; F72-Y75 AromaticContact CE2-CD1 3.95Å; F72-Y75 HydrophobicContact CE2-CD1 3.95Å; F72-Y75 HydrophobicContact CE2-CE1 4.28Å; F72-Y75 PolarHBondContact O-N 3Å; F72-C76 WeakPolarHBondContact CE1-SG 3.2Å; F72-C76 VanDerWaalsContact CZ-SG 3.58Å; F72-C76 PolarHBondContact O-N 3.08Å; F72-C76 PolarHBondContact O-SG 3.02Å
73	Q	94.6	Very high	91.1	Very high	143 Å²	143	58.8 Å²	58.8	67%	0.668	32%	0.317	S	S	*	.	H	α-helix	trans	-67.4	-47.3	178.2	-174.5	-164.6	-75.5	0	0	110.3	D71 Y75 C76 V77	D71-Q73 VanDerWaalsContact C-N 3.27Å; D71-Q73 PolarHBondContact O-N 3.4Å; D71-Q73 WeakPolarHBondContact OD1-CA 3.47Å; D71-Q73 VanDerWaalsContact OD1-CB 3.24Å; D71-Q73 WeakPolarHBondContact OD1-CB 3.25Å; D71-Q73 PolarHBondContact OD1-N 3.06Å; Q73-Y75 VanDerWaalsContact C-N 3.3Å; Q73-Y75 PolarHBondContact O-N 3.21Å; Q73-C76 WeakPolarHBondContact O-CB 3.43Å; Q73-C76 PolarHBondContact O-N 2.87Å; Q73-C76 VanDerWaalsContact O-N 3.11Å; Q73-V77 WeakPolarHBondContact O-CG2 3.34Å; Q73-V77 PolarHBondContact O-N 3.27Å
74	E	93.8	Very high	90.8	Very high	8 Å²	8	63.4 Å²	63.4	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-61.4	-39.9	176.9	-68.4	170.6	148.2	0	0	111.3	L62 S64 N65 V70 D71 V77 F78	L62-E74 WeakPolarHBondContact O-CB 3.3Å; L62-E74 VanDerWaalsContact O-CG 3.28Å; L62-E74 WeakPolarHBondContact O-CG 3.4Å; S64-E74 WeakPolarHBondContact CA-OE1 3.31Å; S64-E74 WeakPolarHBondContact CB-OE1 3.34Å; S64-E74 PolarHBondContact N-OE1 3.2Å; N65-E74 PolarHBondContact N-OE1 3.1Å; N65-E74 VanDerWaalsContact N-OE1 3.13Å; V70-E74 WeakPolarHBondContact CA-OE2 3.29Å; V70-E74 HydrophobicContact CG1-CB 3.72Å; D71-E74 PolarHBondContact N-OE2 2.72Å; D71-E74 PolarHBondContact O-N 3.45Å; D71-E74 PolarHBondContact OD1-N 3.05Å; E74-V77 PolarHBondContact O-N 3.04Å; E74-F78 PolarHBondContact O-N 3.19Å
75	Y	93.1	Very high	90.3	Very high	10 Å²	10	63.9 Å²	63.9	4%	0.039	33%	0.332	C	S	.	.	H	α-helix	trans	-61.4	-41.9	170.7	174.3	-107	0	0	0	113.1	F16 L29 L37 D71 F72 Q73 F78 L79	F16-Y75 HydrophobicContact CB-CD1 4.08Å; F16-Y75 HydrophobicContact CB-CE1 3.9Å; F16-Y75 AromaticContact CD2-CD1 3.63Å; F16-Y75 HydrophobicContact CD2-CD1 3.63Å; F16-Y75 HydrophobicContact CD2-CD2 4.08Å; F16-Y75 HydrophobicContact CD2-CE1 4.2Å; F16-Y75 AromaticContact CD2-CG 3.55Å; F16-Y75 HydrophobicContact CD2-CG 3.55Å; F16-Y75 HydrophobicContact CE2-CD1 4.47Å; F16-Y75 HydrophobicContact CE2-CG 4.1Å; F16-Y75 HydrophobicContact CG-CD1 4.21Å; L29-Y75 HydrophobicContact CD1-CD2 4.36Å; L37-Y75 HydrophobicContact CD1-CE2 3.9Å; L37-Y75 HydrophobicContact CD2-CE2 3.97Å; D71-Y75 WeakPolarHBondContact O-CB 3.48Å; D71-Y75 PolarHBondContact O-N 3.31Å; F72-Y75 HydrophobicContact CD2-CD1 4.04Å; F72-Y75 AromaticContact CE2-CD1 3.95Å; F72-Y75 HydrophobicContact CE2-CD1 3.95Å; F72-Y75 HydrophobicContact CE2-CE1 4.28Å; F72-Y75 PolarHBondContact O-N 3Å; Q73-Y75 VanDerWaalsContact C-N 3.3Å; Q73-Y75 PolarHBondContact O-N 3.21Å; Y75-F78 WeakPolarHBondContact O-CB 3.49Å; Y75-F78 PolarHBondContact O-N 3.36Å; Y75-L79 HydrophobicContact CD1-CD1 4.17Å; Y75-L79 HydrophobicContact CE1-CD1 3.44Å; Y75-L79 VanDerWaalsContact CE1-CD1 3.44Å; Y75-L79 HydrophobicContact CE1-CG 4.14Å; Y75-L79 HydrophobicContact CE2-CD1 4.19Å; Y75-L79 HydrophobicContact CE2-CD2 4.26Å; Y75-L79 HydrophobicContact CE2-CG 4.1Å; Y75-L79 VanDerWaalsContact CZ-CD1 3.46Å; Y75-L79 PolarHBondContact O-N 3.23Å
76	C	93.9	Very high	89.7	Confident	34 Å²	34	63.1 Å²	63.1	23%	0.23	33%	0.333	C	S	.	.	H	α-helix	trans	-64.5	-39.1	175.7	-75.6	0	0	0	0	112.5	F72 Q73 F78 L79 S80	F72-C76 WeakPolarHBondContact CE1-SG 3.2Å; F72-C76 VanDerWaalsContact CZ-SG 3.58Å; F72-C76 PolarHBondContact O-N 3.08Å; F72-C76 PolarHBondContact O-SG 3.02Å; Q73-C76 WeakPolarHBondContact O-CB 3.43Å; Q73-C76 PolarHBondContact O-N 2.87Å; Q73-C76 VanDerWaalsContact O-N 3.11Å; C76-F78 VanDerWaalsContact C-N 3.31Å; C76-F78 PolarHBondContact O-N 3.27Å; C76-L79 PolarHBondContact O-N 3.02Å; C76-S80 WeakPolarHBondContact O-CB 3.37Å; C76-S80 PolarHBondContact O-N 3.13Å; C76-S80 PolarHBondContact O-OG 3.41Å
77	V	91.2	Very high	89.2	Confident	82 Å²	82	57 Å²	57	50%	0.497	32%	0.316	S	S	.	.	H	α-helix	trans	-60.4	-45	174.3	172.4	0	0	0	0	109.9	Q73 E74 S80 C81	Q73-V77 WeakPolarHBondContact O-CG2 3.34Å; Q73-V77 PolarHBondContact O-N 3.27Å; E74-V77 PolarHBondContact O-N 3.04Å; V77-S80 WeakPolarHBondContact O-CB 3.43Å; V77-S80 PolarHBondContact O-N 3.42Å; V77-C81 PolarHBondContact O-N 3.02Å; V77-C81 PolarHBondContact O-SG 3.39Å; V77-C81 VanDerWaalsContact O-SG 3.37Å
78	F	89.6	Confident	88.4	Confident	7 Å²	7	60.9 Å²	60.9	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-57.9	-50.6	175.9	177.9	-119.3	0	0	0	113.3	L38 L42 F45 L58 L62 E74 Y75 C76 S80 C81 I82	L38-F78 HydrophobicContact CD2-CD1 4.34Å; L38-F78 HydrophobicContact CD2-CE1 3.3Å; L38-F78 HydrophobicContact CD2-CZ 3.64Å; L42-F78 HydrophobicContact CD1-CE1 3.82Å; L42-F78 HydrophobicContact CD1-CZ 4.49Å; F45-F78 HydrophobicContact CD1-CE2 4.4Å; F45-F78 AromaticContact CD1-CZ 3.9Å; F45-F78 HydrophobicContact CD1-CZ 3.9Å; F45-F78 AromaticContact CE1-CE2 3.63Å; F45-F78 HydrophobicContact CE1-CE2 3.63Å; F45-F78 AromaticContact CE1-CZ 3.59Å; F45-F78 HydrophobicContact CE1-CZ 3.59Å; F45-F78 HydrophobicContact CZ-CE2 4.15Å; F45-F78 HydrophobicContact CZ-CZ 4.39Å; L58-F78 HydrophobicContact CD1-CD2 4.32Å; L58-F78 HydrophobicContact CD1-CE2 3.82Å; L62-F78 HydrophobicContact CD1-CB 4.06Å; L62-F78 HydrophobicContact CD1-CD1 4.36Å; L62-F78 HydrophobicContact CD1-CD2 3.98Å; L62-F78 HydrophobicContact CD1-CE2 4.5Å; L62-F78 HydrophobicContact CD1-CG 3.86Å; L62-F78 HydrophobicContact CD2-CB 3.55Å; L62-F78 HydrophobicContact CD2-CD2 3.67Å; L62-F78 HydrophobicContact CD2-CG 3.87Å; L62-F78 HydrophobicContact CG-CB 4.44Å; L62-F78 HydrophobicContact CG-CD2 4.39Å; E74-F78 PolarHBondContact O-N 3.19Å; Y75-F78 WeakPolarHBondContact O-CB 3.49Å; Y75-F78 PolarHBondContact O-N 3.36Å; C76-F78 VanDerWaalsContact C-N 3.31Å; C76-F78 PolarHBondContact O-N 3.27Å; F78-S80 VanDerWaalsContact C-N 3.25Å; F78-S80 PolarHBondContact O-N 3.27Å; F78-C81 WeakPolarHBondContact O-CB 3.48Å; F78-C81 PolarHBondContact O-N 3.07Å; F78-C81 VanDerWaalsContact O-N 3.13Å; F78-I82 HydrophobicContact CD1-CD1 4Å; F78-I82 HydrophobicContact CD2-CD1 4.46Å; F78-I82 HydrophobicContact CE1-CD1 3.38Å; F78-I82 HydrophobicContact CE1-CG1 4.43Å; F78-I82 HydrophobicContact CE2-CD1 3.94Å; F78-I82 HydrophobicContact CE2-CG1 4.23Å; F78-I82 HydrophobicContact CZ-CD1 3.39Å; F78-I82 HydrophobicContact CZ-CG1 4.17Å; F78-I82 PolarHBondContact O-N 2.99Å
79	L	90.5	Very high	87.6	Confident	27 Å²	27	61.4 Å²	61.4	14%	0.141	33%	0.329	C	S	.	.	H	α-helix	trans	-62.6	-35.2	178.4	-70.2	-173.8	0	0	0	112	M12 L42 Y75 C76 I82 A83	M12-L79 HydrophobicContact CB-CD1 4.23Å; M12-L79 HydrophobicContact CE-CB 4.31Å; M12-L79 HydrophobicContact CE-CD1 3.51Å; M12-L79 HydrophobicContact CG-CD1 3.8Å; M12-L79 HydrophobicContact SD-CD1 4.3Å; L42-L79 HydrophobicContact CD1-CD2 4.24Å; Y75-L79 HydrophobicContact CD1-CD1 4.17Å; Y75-L79 HydrophobicContact CE1-CD1 3.44Å; Y75-L79 VanDerWaalsContact CE1-CD1 3.44Å; Y75-L79 HydrophobicContact CE1-CG 4.14Å; Y75-L79 HydrophobicContact CE2-CD1 4.19Å; Y75-L79 HydrophobicContact CE2-CD2 4.26Å; Y75-L79 HydrophobicContact CE2-CG 4.1Å; Y75-L79 VanDerWaalsContact CZ-CD1 3.46Å; Y75-L79 PolarHBondContact O-N 3.23Å; C76-L79 PolarHBondContact O-N 3.02Å; L79-I82 HydrophobicContact CD2-CD1 4.37Å; L79-I82 PolarHBondContact O-N 3.37Å; L79-A83 WeakPolarHBondContact O-CB 3.41Å; L79-A83 PolarHBondContact O-N 2.96Å
80	S	89.7	Confident	86.2	Confident	63 Å²	63	66.1 Å²	66.1	44%	0.441	35%	0.349	S	S	.	.	H	α-helix	trans	-63.4	-41.8	174.2	-56.9	0	0	0	0	111.2	C76 V77 F78 I82 A83 M84	C76-S80 WeakPolarHBondContact O-CB 3.37Å; C76-S80 PolarHBondContact O-N 3.13Å; C76-S80 PolarHBondContact O-OG 3.41Å; V77-S80 WeakPolarHBondContact O-CB 3.43Å; V77-S80 PolarHBondContact O-N 3.42Å; F78-S80 VanDerWaalsContact C-N 3.25Å; F78-S80 PolarHBondContact O-N 3.27Å; S80-I82 PolarHBondContact O-N 3.36Å; S80-A83 PolarHBondContact O-N 3.29Å; S80-M84 WeakPolarHBondContact O-CG 3.35Å; S80-M84 PolarHBondContact O-N 3.18Å
81	C	85.9	Confident	85	Confident	57 Å²	57	73 Å²	73	39%	0.385	38%	0.381	S	S	.	.	H	α-helix	trans	-60.2	-43.6	172.8	-66.8	0	0	0	0	112.2	V77 F78 M84 M85	V77-C81 PolarHBondContact O-N 3.02Å; V77-C81 PolarHBondContact O-SG 3.39Å; V77-C81 VanDerWaalsContact O-SG 3.37Å; F78-C81 WeakPolarHBondContact O-CB 3.48Å; F78-C81 PolarHBondContact O-N 3.07Å; F78-C81 VanDerWaalsContact O-N 3.13Å; C81-M84 HydrophobicContact CB-CE 4.45Å; C81-M84 PolarHBondContact O-N 3.48Å; C81-M85 WeakPolarHBondContact O-CG 3.28Å; C81-M85 PolarHBondContact O-N 2.98Å
82	I	84.1	Confident	83.4	Confident	21 Å²	21	74 Å²	74	11%	0.108	40%	0.401	C	S	.	.	H	α-helix	trans	-61.8	-46.4	175.7	-66.2	174.7	0	0	0	110.7	L42 F45 F78 L79 S80 M84 M85 C86	L42-I82 HydrophobicContact CD1-CD1 3.67Å; F45-I82 HydrophobicContact CD1-CD1 4.15Å; F45-I82 HydrophobicContact CD2-CD1 4.15Å; F45-I82 HydrophobicContact CD2-CG1 3.95Å; F45-I82 HydrophobicContact CD2-CG2 4.38Å; F45-I82 HydrophobicContact CE1-CD1 4.22Å; F45-I82 HydrophobicContact CE1-CG1 4.26Å; F45-I82 HydrophobicContact CE2-CD1 4.23Å; F45-I82 HydrophobicContact CE2-CG1 3.64Å; F45-I82 HydrophobicContact CG-CD1 4.11Å; F45-I82 HydrophobicContact CG-CG1 4.4Å; F45-I82 HydrophobicContact CZ-CD1 4.25Å; F45-I82 HydrophobicContact CZ-CG1 3.8Å; F78-I82 HydrophobicContact CD1-CD1 4Å; F78-I82 HydrophobicContact CD2-CD1 4.46Å; F78-I82 HydrophobicContact CE1-CD1 3.38Å; F78-I82 HydrophobicContact CE1-CG1 4.43Å; F78-I82 HydrophobicContact CE2-CD1 3.94Å; F78-I82 HydrophobicContact CE2-CG1 4.23Å; F78-I82 HydrophobicContact CZ-CD1 3.39Å; F78-I82 HydrophobicContact CZ-CG1 4.17Å; F78-I82 PolarHBondContact O-N 2.99Å; L79-I82 HydrophobicContact CD2-CD1 4.37Å; L79-I82 PolarHBondContact O-N 3.37Å; S80-I82 PolarHBondContact O-N 3.36Å; I82-M84 VanDerWaalsContact C-N 3.29Å; I82-M84 PolarHBondContact O-N 3.05Å; I82-M85 PolarHBondContact O-N 2.93Å; I82-C86 PolarHBondContact O-N 2.88Å; I82-C86 PolarHBondContact O-SG 3.37Å; I82-C86 VanDerWaalsContact O-SG 3.37Å
83	A	87.7	Confident	81.6	Confident	58 Å²	58	74.7 Å²	74.7	48%	0.479	40%	0.404	S	S	.	.	H	α-helix	trans	-60.1	-40.9	179.5	0	0	0	0	0	111.6	L79 S80 C86 N87	L79-A83 WeakPolarHBondContact O-CB 3.41Å; L79-A83 PolarHBondContact O-N 2.96Å; S80-A83 PolarHBondContact O-N 3.29Å; A83-C86 PolarHBondContact O-N 3.37Å; A83-N87 WeakPolarHBondContact O-CB 3.35Å; A83-N87 PolarHBondContact O-N 2.86Å
84	M	83.8	Confident	79.7	Confident	109 Å²	109	72.5 Å²	72.5	54%	0.537	40%	0.402	S	S	.	.	H	α-helix	trans	-62.7	-46.3	173.6	-71.5	-175.3	-66.4	0	0	111.9	S80 C81 I82 C86 N87 E88	S80-M84 WeakPolarHBondContact O-CG 3.35Å; S80-M84 PolarHBondContact O-N 3.18Å; C81-M84 HydrophobicContact CB-CE 4.45Å; C81-M84 PolarHBondContact O-N 3.48Å; I82-M84 VanDerWaalsContact C-N 3.29Å; I82-M84 PolarHBondContact O-N 3.05Å; M84-C86 VanDerWaalsContact C-N 3.31Å; M84-C86 PolarHBondContact O-N 3Å; M84-N87 WeakPolarHBondContact O-CB 3.42Å; M84-N87 PolarHBondContact O-N 3.08Å; M84-N87 VanDerWaalsContact O-N 3.09Å; M84-E88 WeakPolarHBondContact O-CG 3.12Å; M84-E88 PolarHBondContact O-N 2.88Å
85	M	79.3	Confident	78	Confident	103 Å²	103	78.7 Å²	78.7	51%	0.507	44%	0.435	S	S	.	.	H	α-helix	trans	-60.9	-39.7	175.9	-69.7	179.7	72	0	0	112.3	F45 C81 I82 F89	F45-M85 HydrophobicContact CE2-CE 4.39Å; F45-M85 HydrophobicContact CE2-SD 3.92Å; F45-M85 HydrophobicContact CZ-SD 4.28Å; C81-M85 WeakPolarHBondContact O-CG 3.28Å; C81-M85 PolarHBondContact O-N 2.98Å; I82-M85 PolarHBondContact O-N 2.93Å; M85-F89 PolarHBondContact O-N 3.09Å; M85-F89 VanDerWaalsContact O-N 3.08Å
86	C	79.6	Confident	76	Confident	62 Å²	62	87.5 Å²	87.5	42%	0.419	47%	0.474	S	S	.	.	H	α-helix	trans	-64	-42.4	173.4	-70.1	0	0	0	0	111.2	I82 A83 M84 F89 F90	I82-C86 PolarHBondContact O-N 2.88Å; I82-C86 PolarHBondContact O-SG 3.37Å; I82-C86 VanDerWaalsContact O-SG 3.37Å; A83-C86 PolarHBondContact O-N 3.37Å; M84-C86 VanDerWaalsContact C-N 3.31Å; M84-C86 PolarHBondContact O-N 3Å; C86-F89 WeakPolarHBondContact O-CB 3.46Å; C86-F89 PolarHBondContact O-N 3.3Å; C86-F90 WeakPolarHBondContact O-CD2 3.48Å; C86-F90 PolarHBondContact O-N 3.39Å
87	N	77.8	Confident	74	Confident	84 Å²	84	91.8 Å²	91.8	45%	0.449	49%	0.491	S	S	.	.	H	α-helix	trans	-63.2	-45.8	178.1	-172.6	72.8	0	0	0	112.1	A83 M84 F89 F90 E91	A83-N87 WeakPolarHBondContact O-CB 3.35Å; A83-N87 PolarHBondContact O-N 2.86Å; M84-N87 WeakPolarHBondContact O-CB 3.42Å; M84-N87 PolarHBondContact O-N 3.08Å; M84-N87 VanDerWaalsContact O-N 3.09Å; N87-F89 VanDerWaalsContact C-N 3.29Å; N87-F89 PolarHBondContact O-N 3.38Å; N87-F90 CarbonylContact O-C 3.6Å; N87-F90 WeakPolarHBondContact O-CA 3.49Å; N87-F90 WeakPolarHBondContact O-CB 3.16Å; N87-F90 PolarHBondContact O-N 3.45Å; N87-E91 PolarHBondContact ND2-OE1 2.78Å; N87-E91 WeakPolarHBondContact O-CG 3.48Å; N87-E91 PolarHBondContact O-N 3.05Å
88	E	75.9	Confident	72.2	Confident	133 Å²	133	93.9 Å²	93.9	62%	0.621	51%	0.506	S	S	*	.	H	α-helix	trans	-58.1	-41.5	174.1	-72	176.7	177.3	0	0	111.8	M84 F90 E91 G92	M84-E88 WeakPolarHBondContact O-CG 3.12Å; M84-E88 PolarHBondContact O-N 2.88Å; E88-F90 VanDerWaalsContact C-N 3.32Å; E88-F90 PolarHBondContact O-N 3.38Å; E88-E91 PolarHBondContact O-N 3.15Å; E88-G92 PolarHBondContact O-N 2.86Å
89	F	71	Confident	71.1	Confident	134 Å²	134	103 Å²	103	59%	0.588	54%	0.54	S	S	*	.	H	α-helix	trans	-60.2	-42.7	173.9	178.2	-100.5	0	0	0	111.5	M85 C86 N87 G92 F93	M85-F89 PolarHBondContact O-N 3.09Å; M85-F89 VanDerWaalsContact O-N 3.08Å; C86-F89 WeakPolarHBondContact O-CB 3.46Å; C86-F89 PolarHBondContact O-N 3.3Å; N87-F89 VanDerWaalsContact C-N 3.29Å; N87-F89 PolarHBondContact O-N 3.38Å; F89-G92 PolarHBondContact O-N 3.04Å; F89-F93 AromaticContact CD1-CE2 3.81Å; F89-F93 HydrophobicContact CD1-CE2 3.81Å; F89-F93 HydrophobicContact CD2-CE2 4.27Å; F89-F93 HydrophobicContact CE1-CD2 4.38Å; F89-F93 AromaticContact CE1-CE2 3.35Å; F89-F93 HydrophobicContact CE1-CE2 3.35Å; F89-F93 AromaticContact CE1-CZ 3.87Å; F89-F93 HydrophobicContact CE1-CZ 3.87Å; F89-F93 AromaticContact CE2-CE2 3.85Å; F89-F93 HydrophobicContact CE2-CE2 3.85Å; F89-F93 HydrophobicContact CE2-CZ 4.26Å; F89-F93 HydrophobicContact CG-CE2 4.26Å; F89-F93 AromaticContact CZ-CE2 3.38Å; F89-F93 HydrophobicContact CZ-CE2 3.38Å; F89-F93 AromaticContact CZ-CZ 3.6Å; F89-F93 HydrophobicContact CZ-CZ 3.6Å; F89-F93 WeakPolarHBondContact O-CD2 3.46Å
90	F	64.9	Low	69.5	Low	144 Å²	144	111.9 Å²	111.9	63%	0.632	58%	0.578	S	S	*	*	H	α-helix	trans	-67.9	-39.1	177.3	-84.9	-70.3	0	0	0	113.4	C86 N87 E88 G92 F93	C86-F90 WeakPolarHBondContact O-CD2 3.48Å; C86-F90 PolarHBondContact O-N 3.39Å; N87-F90 CarbonylContact O-C 3.6Å; N87-F90 WeakPolarHBondContact O-CA 3.49Å; N87-F90 WeakPolarHBondContact O-CB 3.16Å; N87-F90 PolarHBondContact O-N 3.45Å; E88-F90 VanDerWaalsContact C-N 3.32Å; E88-F90 PolarHBondContact O-N 3.38Å; F90-G92 PolarHBondContact O-N 3.37Å; F90-F93 PolarHBondContact O-N 3.42Å
91	E	69.1	Low	67.5	Low	144 Å²	144	122.3 Å²	122.3	67%	0.673	62%	0.615	S	S	*	*	H	α-helix	trans	-66.2	-27.8	175.6	-72.1	178.9	-175.9	0	0	112.2	N87 E88 F93	N87-E91 PolarHBondContact ND2-OE1 2.78Å; N87-E91 WeakPolarHBondContact O-CG 3.48Å; N87-E91 PolarHBondContact O-N 3.05Å; E88-E91 PolarHBondContact O-N 3.15Å; E91-F93 PolarHBondContact O-N 3.05Å
92	G	62.2	Low	66.5	Low	61 Å²	61	125.6 Å²	125.6	63%	0.629	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-10.7	173.1	0	0	0	0	0	115.2	E88 F89 F90	E88-G92 PolarHBondContact O-N 2.86Å; F89-G92 PolarHBondContact O-N 3.04Å; F90-G92 PolarHBondContact O-N 3.37Å
93	F	55.6	Low	65.6	Low	85 Å²	85	131.1 Å²	131.1	37%	0.373	65%	0.654	S	S	.	*	S	Bend	trans	-85.3	126.8	174.6	-80.2	-98.2	0	0	0	111	F89 F90 E91 D95	F89-F93 AromaticContact CD1-CE2 3.81Å; F89-F93 HydrophobicContact CD1-CE2 3.81Å; F89-F93 HydrophobicContact CD2-CE2 4.27Å; F89-F93 HydrophobicContact CE1-CD2 4.38Å; F89-F93 AromaticContact CE1-CE2 3.35Å; F89-F93 HydrophobicContact CE1-CE2 3.35Å; F89-F93 AromaticContact CE1-CZ 3.87Å; F89-F93 HydrophobicContact CE1-CZ 3.87Å; F89-F93 AromaticContact CE2-CE2 3.85Å; F89-F93 HydrophobicContact CE2-CE2 3.85Å; F89-F93 HydrophobicContact CE2-CZ 4.26Å; F89-F93 HydrophobicContact CG-CE2 4.26Å; F89-F93 AromaticContact CZ-CE2 3.38Å; F89-F93 HydrophobicContact CZ-CE2 3.38Å; F89-F93 AromaticContact CZ-CZ 3.6Å; F89-F93 HydrophobicContact CZ-CZ 3.6Å; F89-F93 WeakPolarHBondContact O-CD2 3.46Å; F90-F93 PolarHBondContact O-N 3.42Å; E91-F93 PolarHBondContact O-N 3.05Å; F93-D95 PolarHBondContact O-N 3.2Å
94	P	54.3	Low	64.4	Low	97 Å²	97	135.2 Å²	135.2	63%	0.63	66%	0.664	S	S	*	*			trans	-59.8	137.5	170.5	24.1	-30.6	0	0	0	109.6	K96	P94-K96 PolarHBondContact O-N 3.4Å
95	D	58.5	Low	63.2	Low	137 Å²	137	136.7 Å²	136.7	73%	0.733	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.4	9.5	-170.8	-153.1	23.1	0	0	0	116	F93 R99	F93-D95 PolarHBondContact O-N 3.2Å; D95-R99 IonicContact OD1-NH2 3.15Å; D95-R99 PolarHBondContact OD1-NH2 3.33Å
96	K	52.6	Low	62.2	Low	195 Å²	195	138.8 Å²	138.8	85%	0.848	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-3.6	-173.6	-60.4	-176.2	-178.2	178.9	0	114.3	P94	P94-K96 PolarHBondContact O-N 3.4Å
97	Q	51.2	Low	61.1	Low	125 Å²	125	143.9 Å²	143.9	58%	0.584	70%	0.699	S	S	*	*	S	Bend	trans	-85.8	121.9	172.2	-82.6	-171.6	-4.8	0	0	110.5	R99	Q97-R99 PolarHBondContact O-N 3.19Å
98	P	53.3	Low	59.9	Low	126 Å²	126	148.2 Å²	148.2	82%	0.818	72%	0.717	S	S	*	*			trans	-64.3	112.5	178.6	24.8	-31.2	0	0	0	109.7	K100	P98-K100 PolarHBondContact O-N 3.41Å
99	R	66.8	Low	58.7	Low	199 Å²	199	149.4 Å²	149.4	75%	0.751	72%	0.724	S	S	*	*			trans	-71	122.9	172.8	-56.6	-178.7	-160.2	178	8.2	107.7	D95 Q97 K101	D95-R99 IonicContact OD1-NH2 3.15Å; D95-R99 PolarHBondContact OD1-NH2 3.33Å; Q97-R99 PolarHBondContact O-N 3.19Å; R99-K101 PolarHBondContact O-N 2.69Å; R99-K101 VanDerWaalsContact O-N 3.15Å
100	K	56.4	Low	57.6	Low	213 Å²	213	150.7 Å²	150.7	93%	0.926	74%	0.735	S	S	*	*			trans	-63.6	116.6	170.4	-77.3	-172.5	176.6	-178.5	0	107.5	P98	P98-K100 PolarHBondContact O-N 3.41Å
101	K	46.8	Very low	57	Low	282 Å²	282	151.3 Å²	151.3	100%	1.226	75%	0.745	S	S	*	*			trans	-72.4	0	170.9	-70.2	-173.8	178	-177.1	0	110.2	R99	R99-K101 PolarHBondContact O-N 2.69Å; R99-K101 VanDerWaalsContact O-N 3.15Å

Retrieved 101 of 101 residues in 222.8 ms (Link to these results)

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