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UDP-glucose 4-epimerase

Catalyzes two distinct but analogous reactions: the reversible epimerization of UDP-glucose to UDP-galactose and the reversible epimerization of UDP-N-acetylglucosamine to UDP-N-acetylgalactosamine. The reaction with UDP-Gal plays a critical role in the Leloir pathway of galactose catabolism in which galactose is converted to the glycolytic intermediate glucose 6-phosphate. It contributes to the catabolism of dietary galactose and enables the endogenous biosynthesis of both UDP-Gal and UDP-GalNAc when exogenous sources are limited. Both UDP-sugar interconversions are important in the synthesis of glycoproteins and glycolipids.

AlphaFold DB , UniProt , Accession G4VEM1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 350 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	41.9	Very low	80.7	Confident	235 Å²	235	83.7 Å²	83.7	100%	1.158	41%	0.413	S	S	*	.				0	123.7	0	-69.4	173.8	-170.2	0	0	106.4	K3	M1-K3 PolarHBondContact O-N 3.18Å; M1-K3 VanDerWaalsContact O-N 3.09Å
2	Q	45.7	Very low	82.2	Confident	191 Å²	191	76.8 Å²	76.8	89%	0.893	38%	0.378	S	S	*	.			trans	-58.5	115.2	164.9	-85.6	171	-16.9	0	0	105.9	D4	Q2-D4 PolarHBondContact O-N 3.3Å
3	K	57	Low	83.4	Confident	124 Å²	124	71.3 Å²	71.3	54%	0.539	35%	0.354	S	S	.	.			trans	-63.8	117.6	169.4	-77.2	179.7	174.1	178.7	0	105.4	M1 N5 V27	M1-K3 PolarHBondContact O-N 3.18Å; M1-K3 VanDerWaalsContact O-N 3.09Å; K3-N5 PolarHBondContact O-N 3.18Å; K3-V27 PolarHBondContact NZ-O 3.36Å
4	D	70.2	Confident	84.5	Confident	146 Å²	146	66.2 Å²	66.2	78%	0.781	33%	0.329	S	S	*	.			trans	-55.8	115.6	169.9	-73.1	-27.3	0	0	0	107.6	Q2 K6	Q2-D4 PolarHBondContact O-N 3.3Å; D4-K6 PolarHBondContact O-N 3.45Å; D4-K6 VanDerWaalsContact O-N 3.13Å
5	N	85.8	Confident	85.4	Confident	105 Å²	105	62 Å²	62	56%	0.561	31%	0.308	S	S	*	.			trans	-68.1	113.2	-175.4	-174.6	-7.7	0	0	0	109.2	K3 G7 S32	K3-N5 PolarHBondContact O-N 3.18Å; N5-G7 PolarHBondContact O-N 3.22Å; N5-G7 PolarHBondContact OD1-N 3.32Å; N5-G7 PolarHBondContact OD1-O 2.99Å; N5-S32 PolarHBondContact ND2-OG 3.35Å; N5-S32 PolarHBondContact OD1-OG 3.38Å
6	K	95.1	Very high	86.1	Confident	80 Å²	80	59.2 Å²	59.2	35%	0.348	30%	0.3	S	S	.	.			trans	-77.5	-0.8	-179.3	-74.1	-167.1	-175.6	170	0	114.2	D4 N29 G30 Y31 K257	D4-K6 PolarHBondContact O-N 3.45Å; D4-K6 VanDerWaalsContact O-N 3.13Å; K6-N29 VanDerWaalsContact CD-O 3.26Å; K6-N29 WeakPolarHBondContact CD-O 3.48Å; K6-N29 WeakPolarHBondContact CE-O 3.35Å; K6-N29 PolarHBondContact NZ-O 2.92Å; K6-G30 PolarHBondContact N-O 3.17Å; K6-Y31 HydrophobicContact CB-CD1 3.65Å; K6-Y31 HydrophobicContact CB-CD2 4.28Å; K6-Y31 HydrophobicContact CB-CE1 3.53Å; K6-Y31 HydrophobicContact CB-CE2 4.17Å; K6-Y31 HydrophobicContact CB-CG 4.03Å; K6-Y31 HydrophobicContact CD-CD2 4.31Å; K6-Y31 HydrophobicContact CD-CE1 4.43Å; K6-Y31 HydrophobicContact CD-CE2 3.76Å; K6-K257 PolarHBondContact O-NZ 2.87Å
7	G	96.8	Very high	86.8	Confident	10 Å²	10	56.8 Å²	56.8	10%	0.103	29%	0.287	C	S	.	.			trans	116	169.4	179.9	0	0	0	0	0	113	N5 S32 D81	N5-G7 PolarHBondContact O-N 3.22Å; N5-G7 PolarHBondContact OD1-N 3.32Å; N5-G7 PolarHBondContact OD1-O 2.99Å; G7-S32 PolarHBondContact O-N 2.93Å; G7-S32 VanDerWaalsContact O-N 3.08Å; G7-D81 WeakPolarHBondContact CA-OD2 3.1Å
8	L	98.2	Very high	87.5	Confident	30 Å²	30	55.1 Å²	55.1	16%	0.157	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	125.2	-177.9	-173	62.1	0	0	0	111.7	S32 I34 H78 I80 D81 Y82	L8-S32 WeakPolarHBondContact CA-O 3.38Å; L8-I34 HydrophobicContact CD1-CD1 4.25Å; L8-I34 HydrophobicContact CD1-CG1 3.85Å; L8-I34 HydrophobicContact CD2-CD1 3.82Å; L8-I34 HydrophobicContact CD2-CG1 4.35Å; L8-I34 HydrophobicContact CG-CD1 4.24Å; L8-I34 HydrophobicContact CG-CG1 4.27Å; L8-H78 HydrophobicContact CD2-CB 3.92Å; L8-I80 HydrophobicContact CD2-CG1 4.4Å; L8-D81 PolarHBondContact N-OD2 3.04Å; L8-D81 PolarHBondContact O-N 3.44Å; L8-Y82 PolarHBondContact O-N 3.29Å; L8-Y82 VanDerWaalsContact O-N 3.14Å
9	V	98.8	Very high	88.1	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.7	-178.8	-171.5	0	0	0	0	110	V11 L26 Y31 S32 V33 I34 Y82 I84 L253	V9-V11 HydrophobicContact CG1-CG2 3.95Å; V9-L26 HydrophobicContact CB-CD1 4.33Å; V9-L26 HydrophobicContact CG1-CD1 3.99Å; V9-L26 HydrophobicContact CG2-CD2 4.32Å; V9-Y31 HydrophobicContact CG2-CD1 3.62Å; V9-Y31 HydrophobicContact CG2-CE1 4.41Å; V9-Y31 HydrophobicContact CG2-CG 3.99Å; V9-S32 PolarHBondContact N-O 3.05Å; V9-V33 WeakPolarHBondContact O-CA 3.46Å; V9-I34 PolarHBondContact O-N 3.2Å; V9-Y82 WeakPolarHBondContact CA-O 3.28Å; V9-Y82 HydrophobicContact CG2-CD2 4.02Å; V9-Y82 HydrophobicContact CG2-CG 4.44Å; V9-I84 HydrophobicContact CG1-CD1 4.04Å; V9-I84 HydrophobicContact CG1-CG1 3.8Å; V9-L253 HydrophobicContact CG1-CD1 4.27Å; V9-L253 HydrophobicContact CG2-CD1 3.62Å
10	L	98.9	Very high	88.6	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	120.8	165.4	176.5	67.4	0	0	0	109.4	T12 I34 L36 F75 I80 Y82 V83 I84 L113	L10-T12 HydrophobicContact CD2-CG2 4.28Å; L10-T12 HydrophobicContact CG-CG2 4.25Å; L10-I34 CarbonylContact C-O 3.6Å; L10-I34 WeakPolarHBondContact CA-O 3.17Å; L10-I34 HydrophobicContact CD1-CB 4.06Å; L10-I34 HydrophobicContact CD1-CG2 3.83Å; L10-L36 HydrophobicContact CD1-CB 4Å; L10-F75 HydrophobicContact CD2-CE2 3.56Å; L10-F75 HydrophobicContact CD2-CZ 3.83Å; L10-I80 HydrophobicContact CB-CD1 4.02Å; L10-I80 HydrophobicContact CB-CG1 4.36Å; L10-I80 HydrophobicContact CB-CG2 3.95Å; L10-I80 HydrophobicContact CD2-CD1 4.02Å; L10-I80 HydrophobicContact CG-CD1 4.47Å; L10-Y82 PolarHBondContact N-O 2.85Å; L10-V83 HydrophobicContact CB-CG2 4.28Å; L10-V83 HydrophobicContact CD2-CG2 4.45Å; L10-V83 WeakPolarHBondContact O-CA 3.5Å; L10-I84 PolarHBondContact O-N 3.46Å; L10-L113 HydrophobicContact CD2-CD1 4.26Å
11	V	98.9	Very high	89.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	102.9	177.3	-176.7	0	0	0	0	109	V9 I23 L26 V33 I34 L36 I84 F86	V9-V11 HydrophobicContact CG1-CG2 3.95Å; V11-I23 HydrophobicContact CB-CD1 4.44Å; V11-I23 HydrophobicContact CB-CG1 4.22Å; V11-I23 HydrophobicContact CG1-CD1 4.34Å; V11-I23 HydrophobicContact CG1-CG1 4.11Å; V11-I23 HydrophobicContact CG2-CG1 4.16Å; V11-L26 HydrophobicContact CG2-CD1 3.73Å; V11-V33 HydrophobicContact CB-CG1 4.41Å; V11-V33 HydrophobicContact CG2-CG1 3.77Å; V11-I34 PolarHBondContact N-O 2.96Å; V11-L36 PolarHBondContact O-N 3.21Å; V11-I84 WeakPolarHBondContact CA-O 3.41Å; V11-F86 HydrophobicContact CG1-CD2 3.63Å; V11-F86 HydrophobicContact CG1-CE2 3.69Å
12	T	98.9	Very high	91.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	140.9	176.1	80.9	0	0	0	0	109.8	L10 G14 L36 L65 I84 H85 F86 A87 L113	L10-T12 HydrophobicContact CD2-CG2 4.28Å; L10-T12 HydrophobicContact CG-CG2 4.25Å; T12-G14 VanDerWaalsContact C-N 3.28Å; T12-L36 CarbonylContact C-O 3.57Å; T12-L36 WeakPolarHBondContact CA-O 3.4Å; T12-L65 HydrophobicContact CG2-CD1 4.49Å; T12-L65 HydrophobicContact CG2-CD2 4.2Å; T12-I84 PolarHBondContact N-O 3.08Å; T12-H85 WeakPolarHBondContact OG1-CA 3.19Å; T12-H85 PolarHBondContact OG1-ND1 2.84Å; T12-F86 WeakPolarHBondContact O-CA 3.34Å; T12-F86 WeakPolarHBondContact O-CB 3.23Å; T12-F86 PolarHBondContact O-N 2.97Å; T12-A87 PolarHBondContact O-N 2.97Å; T12-A87 VanDerWaalsContact O-N 3.09Å; T12-A87 WeakPolarHBondContact OG1-CB 3.37Å; T12-L113 HydrophobicContact CG2-CD1 4.46Å; T12-L113 HydrophobicContact CG2-CD2 3.92Å
13	G	98.5	Very high	94.3	Very high	6 Å²	6	27 Å²	27	6%	0.062	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	27.6	-167.8	0	0	0	0	0	111.6	S15 G16 L36 D37	G13-S15 VanDerWaalsContact C-N 3.32Å; G13-S15 PolarHBondContact O-N 3.18Å; G13-G16 PolarHBondContact O-N 2.71Å; G13-G16 VanDerWaalsContact O-N 3.11Å; G13-L36 PolarHBondContact N-O 3.35Å; G13-D37 WeakPolarHBondContact CA-OD2 3.35Å
14	G	98.3	Very high	96.3	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-24.9	-166.8	0	0	0	0	0	114.6	T12 G16 G19 S20 I23 L36 D37	T12-G14 VanDerWaalsContact C-N 3.28Å; G14-G16 VanDerWaalsContact C-N 3.34Å; G14-G19 CarbonylContact O-C 3.57Å; G14-S20 WeakPolarHBondContact O-CA 3.4Å; G14-S20 PolarHBondContact O-N 2.89Å; G14-S20 VanDerWaalsContact O-N 3.13Å; G14-I23 VanDerWaalsContact O-CD1 3.25Å; G14-I23 WeakPolarHBondContact O-CD1 3.39Å; G14-L36 PolarHBondContact N-O 3.43Å; G14-D37 PolarHBondContact N-OD2 3.5Å
15	S	97.7	Very high	97.6	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.021	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.6	174.9	60.2	0	0	0	0	112.9	G13 D37 L39 S42	G13-S15 VanDerWaalsContact C-N 3.32Å; G13-S15 PolarHBondContact O-N 3.18Å; S15-D37 PolarHBondContact N-OD2 3.21Å; S15-D37 VanDerWaalsContact OG-CB 3.28Å; S15-D37 WeakPolarHBondContact OG-CB 3.35Å; S15-D37 PolarHBondContact OG-OD2 3.09Å; S15-L39 WeakPolarHBondContact OG-CD2 3.42Å; S15-S42 VanDerWaalsContact O-CB 3.23Å; S15-S42 WeakPolarHBondContact O-CB 3.46Å; S15-S42 WeakPolarHBondContact OG-CB 3.26Å; S15-S42 PolarHBondContact OG-OG 3.29Å
16	G	97.3	Very high	98.2	Very high	17 Å²	17	10.7 Å²	10.7	18%	0.175	6%	0.059	C	C	.	.	S	Bend	trans	-69.6	173	173.9	0	0	0	0	0	113.6	G13 G14 I18 G19 S20	G13-G16 PolarHBondContact O-N 2.71Å; G13-G16 VanDerWaalsContact O-N 3.11Å; G14-G16 VanDerWaalsContact C-N 3.34Å; G16-I18 PolarHBondContact O-N 3.11Å; G16-G19 PolarHBondContact O-N 2.88Å; G16-S20 VanDerWaalsContact O-CB 3.29Å; G16-S20 WeakPolarHBondContact O-CB 3.36Å; G16-S20 PolarHBondContact O-N 3.34Å; G16-S20 PolarHBondContact O-OG 2.56Å
17	F	97.9	Very high	98.3	Very high	19 Å²	19	7.1 Å²	7.1	8%	0.083	4%	0.044	C	C	.	.	H	α-helix	trans	-55	-57.6	-176.8	175	-142.5	0	0	0	113.3	S20 H21 P186 G188 E197 V242	F17-S20 PolarHBondContact O-OG 3.1Å; F17-H21 AromaticContact CD2-CE1 3.77Å; F17-H21 AromaticContact CD2-ND1 3.99Å; F17-H21 AromaticContact CE2-CE1 3.68Å; F17-H21 PolarHBondContact O-ND1 2.91Å; F17-P186 HydrophobicContact CE1-CB 4.28Å; F17-G188 WeakPolarHBondContact CE2-O 3.36Å; F17-G188 WeakPolarHBondContact CZ-O 3.28Å; F17-E197 HydrophobicContact CB-CB 4.33Å; F17-E197 HydrophobicContact CB-CG 4.04Å; F17-E197 HydrophobicContact CD1-CB 3.96Å; F17-E197 VanDerWaalsContact CD1-CD 3.4Å; F17-E197 HydrophobicContact CD1-CG 3.84Å; F17-E197 WeakPolarHBondContact CD1-OE1 3.39Å; F17-E197 HydrophobicContact CD2-CB 3.6Å; F17-E197 HydrophobicContact CD2-CG 4.22Å; F17-E197 HydrophobicContact CE1-CB 4.12Å; F17-E197 HydrophobicContact CE1-CG 4.33Å; F17-E197 HydrophobicContact CE2-CB 3.77Å; F17-E197 HydrophobicContact CG-CB 3.7Å; F17-E197 HydrophobicContact CG-CG 3.78Å; F17-E197 HydrophobicContact CZ-CB 4.03Å; F17-V242 HydrophobicContact CD2-CG2 4.2Å; F17-V242 HydrophobicContact CE1-CB 4.28Å; F17-V242 HydrophobicContact CE1-CG2 4.14Å; F17-V242 HydrophobicContact CE2-CB 3.91Å; F17-V242 HydrophobicContact CE2-CG1 3.79Å; F17-V242 HydrophobicContact CE2-CG2 3.73Å; F17-V242 HydrophobicContact CZ-CB 3.59Å; F17-V242 HydrophobicContact CZ-CG1 3.83Å; F17-V242 HydrophobicContact CZ-CG2 3.7Å
18	I	98.5	Very high	98.3	Very high	25 Å²	25	10.6 Å²	10.6	13%	0.128	6%	0.06	C	C	.	.	H	α-helix	trans	-76.2	-37.1	-177.5	-50.5	167.1	0	0	0	110.7	G16 S20 H21 T22 F86 Y183 P186 V242 L245	G16-I18 PolarHBondContact O-N 3.11Å; I18-S20 PolarHBondContact O-N 2.96Å; I18-H21 PolarHBondContact O-N 2.92Å; I18-T22 WeakPolarHBondContact O-CB 3.35Å; I18-T22 PolarHBondContact O-N 3.1Å; I18-T22 PolarHBondContact O-OG1 3.24Å; I18-F86 HydrophobicContact CB-CD1 4.09Å; I18-F86 HydrophobicContact CB-CE1 3.99Å; I18-F86 HydrophobicContact CG2-CD1 4.07Å; I18-F86 HydrophobicContact CG2-CE1 3.47Å; I18-F86 VanDerWaalsContact CG2-CE1 3.47Å; I18-F86 HydrophobicContact CG2-CZ 4.16Å; I18-Y183 HydrophobicContact CD1-CD2 3.89Å; I18-Y183 HydrophobicContact CD1-CE2 4.05Å; I18-P186 HydrophobicContact CD1-CB 4.46Å; I18-P186 HydrophobicContact CD1-CG 3.81Å; I18-P186 HydrophobicContact CG1-CB 4.48Å; I18-P186 HydrophobicContact CG1-CG 4.26Å; I18-V242 HydrophobicContact CG1-CG2 4.46Å; I18-L245 HydrophobicContact CD1-CD2 3.99Å; I18-L245 HydrophobicContact CG1-CD2 4.27Å; I18-L245 HydrophobicContact CG2-CD2 3.78Å; I18-L245 HydrophobicContact CG2-CG 4.13Å
19	G	98.6	Very high	98.2	Very high	1 Å²	1	11.5 Å²	11.5	1%	0.01	7%	0.066	C	C	.	.	H	α-helix	trans	-57.2	-50.5	178.8	0	0	0	0	0	112	G14 G16 H21 T22 I23	G14-G19 CarbonylContact O-C 3.57Å; G16-G19 PolarHBondContact O-N 2.88Å; G19-H21 PolarHBondContact O-N 3.34Å; G19-T22 WeakPolarHBondContact O-CA 3.45Å; G19-T22 WeakPolarHBondContact O-CB 3.4Å; G19-T22 PolarHBondContact O-N 2.84Å; G19-T22 VanDerWaalsContact O-N 3.08Å; G19-I23 VanDerWaalsContact O-CG1 3.31Å; G19-I23 WeakPolarHBondContact O-CG1 3.14Å; G19-I23 PolarHBondContact O-N 2.75Å
20	S	98.6	Very high	98.1	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-58.5	-43.7	-179.4	54.1	0	0	0	0	113.4	G14 G16 F17 I18 I23 V24 C46	G14-S20 WeakPolarHBondContact O-CA 3.4Å; G14-S20 PolarHBondContact O-N 2.89Å; G14-S20 VanDerWaalsContact O-N 3.13Å; G16-S20 VanDerWaalsContact O-CB 3.29Å; G16-S20 WeakPolarHBondContact O-CB 3.36Å; G16-S20 PolarHBondContact O-N 3.34Å; G16-S20 PolarHBondContact O-OG 2.56Å; F17-S20 PolarHBondContact O-OG 3.1Å; I18-S20 PolarHBondContact O-N 2.96Å; S20-I23 PolarHBondContact O-N 2.88Å; S20-V24 PolarHBondContact O-N 3.11Å; S20-C46 VanDerWaalsContact CB-SG 3.53Å
21	H	98.8	Very high	98	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.009	7%	0.072	C	C	.	.	H	α-helix	trans	-67.2	-38.5	175.7	-66.9	74.7	0	0	0	111.6	F17 I18 G19 I23 V24 E25 H190 V242 A246	F17-H21 AromaticContact CD2-CE1 3.77Å; F17-H21 AromaticContact CD2-ND1 3.99Å; F17-H21 AromaticContact CE2-CE1 3.68Å; F17-H21 PolarHBondContact O-ND1 2.91Å; I18-H21 PolarHBondContact O-N 2.92Å; G19-H21 PolarHBondContact O-N 3.34Å; H21-I23 VanDerWaalsContact C-N 3.34Å; H21-I23 PolarHBondContact O-N 3.31Å; H21-V24 PolarHBondContact O-N 3.14Å; H21-E25 PolarHBondContact O-N 3.27Å; H21-E25 VanDerWaalsContact O-N 3.11Å; H21-H190 PolarHBondContact NE2-N 3.2Å; H21-V242 HydrophobicContact CB-CG2 4.03Å; H21-V242 VanDerWaalsContact CD2-CG1 3.49Å; H21-V242 WeakPolarHBondContact CD2-CG1 3.26Å; H21-A246 HydrophobicContact CB-CB 3.96Å
22	T	98.8	Very high	98	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-39	176.9	-57.1	0	0	0	0	111.8	I18 G19 V24 E25 L26 I84 F86 H249	I18-T22 WeakPolarHBondContact O-CB 3.35Å; I18-T22 PolarHBondContact O-N 3.1Å; I18-T22 PolarHBondContact O-OG1 3.24Å; G19-T22 WeakPolarHBondContact O-CA 3.45Å; G19-T22 WeakPolarHBondContact O-CB 3.4Å; G19-T22 PolarHBondContact O-N 2.84Å; G19-T22 VanDerWaalsContact O-N 3.08Å; T22-V24 VanDerWaalsContact C-N 3.35Å; T22-V24 PolarHBondContact O-N 3.42Å; T22-E25 PolarHBondContact O-N 3.21Å; T22-L26 HydrophobicContact CG2-CD1 3.97Å; T22-L26 HydrophobicContact CG2-CG 4.16Å; T22-L26 WeakPolarHBondContact O-CB 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.44Å; T22-L26 PolarHBondContact O-N 2.93Å; T22-I84 HydrophobicContact CG2-CD1 4.2Å; T22-F86 HydrophobicContact CG2-CE2 4.04Å; T22-F86 HydrophobicContact CG2-CZ 3.88Å; T22-F86 VanDerWaalsContact OG1-CZ 3.27Å; T22-F86 WeakPolarHBondContact OG1-CZ 3.46Å; T22-H249 HydrophobicContact CG2-CB 3.58Å
23	I	98.8	Very high	98	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61	-44.9	176.5	-65.5	171.1	0	0	0	111	V11 G14 G19 S20 H21 E25 L26 V27 V33 A35 I50 L58	V11-I23 HydrophobicContact CB-CD1 4.44Å; V11-I23 HydrophobicContact CB-CG1 4.22Å; V11-I23 HydrophobicContact CG1-CD1 4.34Å; V11-I23 HydrophobicContact CG1-CG1 4.11Å; V11-I23 HydrophobicContact CG2-CG1 4.16Å; G14-I23 VanDerWaalsContact O-CD1 3.25Å; G14-I23 WeakPolarHBondContact O-CD1 3.39Å; G19-I23 VanDerWaalsContact O-CG1 3.31Å; G19-I23 WeakPolarHBondContact O-CG1 3.14Å; G19-I23 PolarHBondContact O-N 2.75Å; S20-I23 PolarHBondContact O-N 2.88Å; H21-I23 VanDerWaalsContact C-N 3.34Å; H21-I23 PolarHBondContact O-N 3.31Å; I23-E25 VanDerWaalsContact C-N 3.34Å; I23-E25 PolarHBondContact O-N 3.39Å; I23-L26 PolarHBondContact O-N 3.07Å; I23-V27 WeakPolarHBondContact O-CG2 3.21Å; I23-V27 PolarHBondContact O-N 3.29Å; I23-V33 HydrophobicContact CB-CG1 4.46Å; I23-V33 HydrophobicContact CD1-CG1 4.49Å; I23-V33 HydrophobicContact CG1-CG1 3.97Å; I23-V33 HydrophobicContact CG2-CB 4.33Å; I23-V33 HydrophobicContact CG2-CG1 3.97Å; I23-V33 HydrophobicContact CG2-CG2 4.5Å; I23-A35 HydrophobicContact CD1-CB 3.86Å; I23-I50 HydrophobicContact CB-CG2 4.45Å; I23-I50 HydrophobicContact CD1-CD1 4.25Å; I23-I50 HydrophobicContact CG2-CG2 3.79Å; I23-L58 HydrophobicContact CD1-CD2 4.08Å; I23-L58 HydrophobicContact CG2-CD1 3.93Å; I23-L58 HydrophobicContact CG2-CD2 3.98Å
24	V	98.6	Very high	98	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.5	-48.9	175.9	172.8	0	0	0	0	110.6	S20 H21 T22 L26 V27 N28 I50 I53 I54 I195	S20-V24 PolarHBondContact O-N 3.11Å; H21-V24 PolarHBondContact O-N 3.14Å; T22-V24 VanDerWaalsContact C-N 3.35Å; T22-V24 PolarHBondContact O-N 3.42Å; V24-L26 PolarHBondContact O-N 3.38Å; V24-V27 PolarHBondContact O-N 3.12Å; V24-N28 WeakPolarHBondContact O-CB 3.22Å; V24-N28 VanDerWaalsContact O-CG 3.26Å; V24-N28 PolarHBondContact O-N 2.88Å; V24-N28 PolarHBondContact O-ND2 3.22Å; V24-I50 HydrophobicContact CG2-CG2 4.17Å; V24-I53 HydrophobicContact CB-CG2 4.46Å; V24-I53 HydrophobicContact CG1-CG2 3.63Å; V24-I53 HydrophobicContact CG2-CB 4.28Å; V24-I53 HydrophobicContact CG2-CD1 4.27Å; V24-I53 HydrophobicContact CG2-CG2 3.93Å; V24-I54 HydrophobicContact CB-CG2 4.41Å; V24-I54 HydrophobicContact CG1-CG2 4.49Å; V24-I54 HydrophobicContact CG2-CG2 4.16Å; V24-I195 HydrophobicContact CG2-CD1 3.88Å
25	E	98.3	Very high	98	Very high	31 Å²	31	14.9 Å²	14.9	15%	0.145	9%	0.088	C	C	.	.	H	α-helix	trans	-63.3	-40.3	178.8	-70.8	-53.6	131.2	0	0	112.7	H21 T22 I23 N28 N29 A246 T250	H21-E25 PolarHBondContact O-N 3.27Å; H21-E25 VanDerWaalsContact O-N 3.11Å; T22-E25 PolarHBondContact O-N 3.21Å; I23-E25 VanDerWaalsContact C-N 3.34Å; I23-E25 PolarHBondContact O-N 3.39Å; E25-N28 PolarHBondContact O-N 3.47Å; E25-N29 WeakPolarHBondContact O-CB 3.4Å; E25-N29 PolarHBondContact O-N 3.42Å; E25-N29 PolarHBondContact O-ND2 2.91Å; E25-A246 HydrophobicContact CB-CB 4.26Å; E25-A246 HydrophobicContact CG-CB 3.63Å; E25-T250 HydrophobicContact CB-CG2 3.81Å
26	L	98.3	Very high	98.1	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-60.4	-49.4	177.3	-75.6	169.8	0	0	0	112	V9 V11 T22 I23 V24 N29 G30 Y31 V33 I84 T250 L253	V9-L26 HydrophobicContact CB-CD1 4.33Å; V9-L26 HydrophobicContact CG1-CD1 3.99Å; V9-L26 HydrophobicContact CG2-CD2 4.32Å; V11-L26 HydrophobicContact CG2-CD1 3.73Å; T22-L26 HydrophobicContact CG2-CD1 3.97Å; T22-L26 HydrophobicContact CG2-CG 4.16Å; T22-L26 WeakPolarHBondContact O-CB 3.31Å; T22-L26 WeakPolarHBondContact O-CG 3.44Å; T22-L26 PolarHBondContact O-N 2.93Å; I23-L26 PolarHBondContact O-N 3.07Å; V24-L26 PolarHBondContact O-N 3.38Å; L26-N29 CarbonylContact O-C 3.52Å; L26-N29 PolarHBondContact O-N 2.98Å; L26-N29 VanDerWaalsContact O-N 3.1Å; L26-G30 PolarHBondContact O-N 2.8Å; L26-Y31 HydrophobicContact CD2-CD2 3.92Å; L26-Y31 HydrophobicContact CD2-CE2 4.47Å; L26-Y31 HydrophobicContact CD2-CG 4.17Å; L26-Y31 PolarHBondContact O-N 3.2Å; L26-V33 HydrophobicContact CB-CG2 3.74Å; L26-V33 HydrophobicContact CD1-CG2 4.05Å; L26-I84 HydrophobicContact CD1-CD1 4.05Å; L26-I84 HydrophobicContact CD2-CD1 4.28Å; L26-T250 HydrophobicContact CD2-CG2 4.13Å; L26-T250 HydrophobicContact CG-CG2 4.44Å; L26-L253 HydrophobicContact CD2-CD1 3.45Å; L26-L253 VanDerWaalsContact CD2-CD1 3.45Å; L26-L253 HydrophobicContact CD2-CG 4.46Å
27	V	97.8	Very high	98.1	Very high	5 Å²	5	14.6 Å²	14.6	3%	0.03	8%	0.082	C	C	.	.	H	α-helix	trans	-65.5	-40.3	179.7	173	0	0	0	0	111.1	K3 I23 V24 N29 G30 V33 I54 E56	K3-V27 PolarHBondContact NZ-O 3.36Å; I23-V27 WeakPolarHBondContact O-CG2 3.21Å; I23-V27 PolarHBondContact O-N 3.29Å; V24-V27 PolarHBondContact O-N 3.12Å; V27-N29 PolarHBondContact O-N 3Å; V27-G30 PolarHBondContact O-N 3.17Å; V27-G30 VanDerWaalsContact O-N 3.17Å; V27-V33 HydrophobicContact CG2-CB 4.46Å; V27-V33 HydrophobicContact CG2-CG2 3.88Å; V27-I54 HydrophobicContact CB-CB 4.36Å; V27-I54 HydrophobicContact CB-CG2 4Å; V27-I54 HydrophobicContact CG1-CB 3.89Å; V27-I54 HydrophobicContact CG1-CD1 4.41Å; V27-I54 HydrophobicContact CG1-CG2 4.08Å; V27-I54 HydrophobicContact CG2-CD1 4.08Å; V27-I54 HydrophobicContact CG2-CG2 4.38Å; V27-E56 WeakPolarHBondContact CG1-OE1 3.02Å
28	N	96.3	Very high	98.1	Very high	83 Å²	83	16 Å²	16	44%	0.444	9%	0.09	S	C	.	.	H	α-helix	trans	-61.2	-32	173.8	-74.8	-18.9	0	0	0	112.2	V24 E25	V24-N28 WeakPolarHBondContact O-CB 3.22Å; V24-N28 VanDerWaalsContact O-CG 3.26Å; V24-N28 PolarHBondContact O-N 2.88Å; V24-N28 PolarHBondContact O-ND2 3.22Å; E25-N28 PolarHBondContact O-N 3.47Å
29	N	96.4	Very high	98	Very high	50 Å²	50	16.5 Å²	16.5	27%	0.267	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	7.7	178.2	-78.7	-84.8	0	0	0	115	K6 E25 L26 V27 Y31 T250	K6-N29 VanDerWaalsContact CD-O 3.26Å; K6-N29 WeakPolarHBondContact CD-O 3.48Å; K6-N29 WeakPolarHBondContact CE-O 3.35Å; K6-N29 PolarHBondContact NZ-O 2.92Å; E25-N29 WeakPolarHBondContact O-CB 3.4Å; E25-N29 PolarHBondContact O-N 3.42Å; E25-N29 PolarHBondContact O-ND2 2.91Å; L26-N29 CarbonylContact O-C 3.52Å; L26-N29 PolarHBondContact O-N 2.98Å; L26-N29 VanDerWaalsContact O-N 3.1Å; V27-N29 PolarHBondContact O-N 3Å; N29-Y31 HydrophobicContact CB-CD2 4.34Å; N29-T250 HydrophobicContact CB-CG2 4.35Å
30	G	96.3	Very high	97.8	Very high	11 Å²	11	19.8 Å²	19.8	11%	0.113	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.8	16.2	170.9	0	0	0	0	0	115.7	K6 L26 V27	K6-G30 PolarHBondContact N-O 3.17Å; L26-G30 PolarHBondContact O-N 2.8Å; V27-G30 PolarHBondContact O-N 3.17Å; V27-G30 VanDerWaalsContact O-N 3.17Å
31	Y	97.6	Very high	97.6	Very high	6 Å²	6	22.9 Å²	22.9	2%	0.024	13%	0.133	C	C	.	.			trans	-90.1	146.1	172.5	-68.4	-86.1	0	0	0	111.2	K6 V9 L26 N29 Y82 L253 D254 K257	K6-Y31 HydrophobicContact CB-CD1 3.65Å; K6-Y31 HydrophobicContact CB-CD2 4.28Å; K6-Y31 HydrophobicContact CB-CE1 3.53Å; K6-Y31 HydrophobicContact CB-CE2 4.17Å; K6-Y31 HydrophobicContact CB-CG 4.03Å; K6-Y31 HydrophobicContact CD-CD2 4.31Å; K6-Y31 HydrophobicContact CD-CE1 4.43Å; K6-Y31 HydrophobicContact CD-CE2 3.76Å; V9-Y31 HydrophobicContact CG2-CD1 3.62Å; V9-Y31 HydrophobicContact CG2-CE1 4.41Å; V9-Y31 HydrophobicContact CG2-CG 3.99Å; L26-Y31 HydrophobicContact CD2-CD2 3.92Å; L26-Y31 HydrophobicContact CD2-CE2 4.47Å; L26-Y31 HydrophobicContact CD2-CG 4.17Å; L26-Y31 PolarHBondContact O-N 3.2Å; N29-Y31 HydrophobicContact CB-CD2 4.34Å; Y31-Y82 HydrophobicContact CE1-CD2 4.32Å; Y31-Y82 HydrophobicContact CE1-CE2 4.14Å; Y31-L253 HydrophobicContact CD1-CD1 4.07Å; Y31-L253 HydrophobicContact CD2-CD1 4.48Å; Y31-L253 HydrophobicContact CE1-CB 4.32Å; Y31-L253 HydrophobicContact CE1-CD1 3.78Å; Y31-L253 HydrophobicContact CE2-CD1 4.22Å; Y31-L253 HydrophobicContact CG-CD1 4.42Å; Y31-D254 PolarHBondContact OH-OD1 3.47Å; Y31-K257 PolarHBondContact OH-NZ 3.04Å
32	S	97.8	Very high	97.4	Very high	44 Å²	44	23.1 Å²	23.1	31%	0.308	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	146.3	161.9	-61.1	0	0	0	0	109.4	N5 G7 L8 V9	N5-S32 PolarHBondContact ND2-OG 3.35Å; N5-S32 PolarHBondContact OD1-OG 3.38Å; G7-S32 PolarHBondContact O-N 2.93Å; G7-S32 VanDerWaalsContact O-N 3.08Å; L8-S32 WeakPolarHBondContact CA-O 3.38Å; V9-S32 PolarHBondContact N-O 3.05Å
33	V	98.6	Very high	97.2	Very high	13 Å²	13	24 Å²	24	8%	0.079	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	136.7	-172.9	-176.1	0	0	0	0	112.1	V9 V11 I23 L26 V27 L58	V9-V33 WeakPolarHBondContact O-CA 3.46Å; V11-V33 HydrophobicContact CB-CG1 4.41Å; V11-V33 HydrophobicContact CG2-CG1 3.77Å; I23-V33 HydrophobicContact CB-CG1 4.46Å; I23-V33 HydrophobicContact CD1-CG1 4.49Å; I23-V33 HydrophobicContact CG1-CG1 3.97Å; I23-V33 HydrophobicContact CG2-CB 4.33Å; I23-V33 HydrophobicContact CG2-CG1 3.97Å; I23-V33 HydrophobicContact CG2-CG2 4.5Å; L26-V33 HydrophobicContact CB-CG2 3.74Å; L26-V33 HydrophobicContact CD1-CG2 4.05Å; V27-V33 HydrophobicContact CG2-CB 4.46Å; V27-V33 HydrophobicContact CG2-CG2 3.88Å; V33-L58 HydrophobicContact CB-CD1 4.06Å; V33-L58 HydrophobicContact CG1-CD1 4.06Å
34	I	98.7	Very high	97	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	127.3	162.8	-56.9	-175.4	0	0	0	107.5	L8 V9 L10 V11 L59 Y61 H78	L8-I34 HydrophobicContact CD1-CD1 4.25Å; L8-I34 HydrophobicContact CD1-CG1 3.85Å; L8-I34 HydrophobicContact CD2-CD1 3.82Å; L8-I34 HydrophobicContact CD2-CG1 4.35Å; L8-I34 HydrophobicContact CG-CD1 4.24Å; L8-I34 HydrophobicContact CG-CG1 4.27Å; V9-I34 PolarHBondContact O-N 3.2Å; L10-I34 CarbonylContact C-O 3.6Å; L10-I34 WeakPolarHBondContact CA-O 3.17Å; L10-I34 HydrophobicContact CD1-CB 4.06Å; L10-I34 HydrophobicContact CD1-CG2 3.83Å; V11-I34 PolarHBondContact N-O 2.96Å; I34-L59 WeakPolarHBondContact CA-O 2.83Å; I34-L59 HydrophobicContact CD1-CD2 3.99Å; I34-L59 HydrophobicContact CG1-CB 4.48Å; I34-L59 HydrophobicContact CG1-CD2 4.02Å; I34-L59 HydrophobicContact CG2-CG 4.46Å; I34-Y61 HydrophobicContact CG2-CD2 3.57Å; I34-Y61 HydrophobicContact CG2-CE2 3.79Å; I34-H78 HydrophobicContact CD1-CB 3.63Å; I34-H78 VanDerWaalsContact CD1-CD2 3.47Å; I34-H78 WeakPolarHBondContact CD1-CD2 3.21Å
35	A	98.8	Very high	96.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	137.1	171.6	0	0	0	0	0	110.5	I23 I47 L58 L59 F60 Y61	I23-A35 HydrophobicContact CD1-CB 3.86Å; A35-I47 HydrophobicContact CB-CD1 4.43Å; A35-L58 HydrophobicContact CB-CD2 4.08Å; A35-L58 HydrophobicContact CB-CG 4.35Å; A35-L59 PolarHBondContact N-O 2.95Å; A35-F60 HydrophobicContact CB-CD2 3.81Å; A35-F60 CarbonylContact O-C 3.6Å; A35-F60 WeakPolarHBondContact O-CA 3.26Å; A35-Y61 PolarHBondContact O-N 3.13Å
36	L	98.5	Very high	96.8	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.1	172.4	-179.4	164.5	0	0	0	108.2	L10 V11 T12 G13 G14 Y61 V63 L65 I74	L10-L36 HydrophobicContact CD1-CB 4Å; V11-L36 PolarHBondContact O-N 3.21Å; T12-L36 CarbonylContact C-O 3.57Å; T12-L36 WeakPolarHBondContact CA-O 3.4Å; G13-L36 PolarHBondContact N-O 3.35Å; G14-L36 PolarHBondContact N-O 3.43Å; L36-Y61 WeakPolarHBondContact CA-O 3.42Å; L36-V63 HydrophobicContact CD1-CB 4.22Å; L36-V63 HydrophobicContact CD1-CG1 4.21Å; L36-V63 HydrophobicContact CD2-CB 4.37Å; L36-V63 VanDerWaalsContact CD2-O 3.26Å; L36-V63 WeakPolarHBondContact CD2-O 3.33Å; L36-V63 HydrophobicContact CG-CB 4.05Å; L36-V63 HydrophobicContact CG-CG1 4.49Å; L36-L65 HydrophobicContact CD1-CD2 4.02Å; L36-L65 HydrophobicContact CD2-CD2 3.73Å; L36-L65 HydrophobicContact CD2-CG 4.13Å; L36-I74 HydrophobicContact CD1-CD1 3.57Å; L36-I74 HydrophobicContact CG-CD1 4.35Å
37	D	98.5	Very high	96.8	Very high	13 Å²	13	28.7 Å²	28.7	7%	0.07	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	158.5	175.5	-152	-62.7	0	0	0	110.6	G13 G14 S15 L39 S42 F60 Y61 E62 V63	G13-D37 WeakPolarHBondContact CA-OD2 3.35Å; G14-D37 PolarHBondContact N-OD2 3.5Å; S15-D37 PolarHBondContact N-OD2 3.21Å; S15-D37 VanDerWaalsContact OG-CB 3.28Å; S15-D37 WeakPolarHBondContact OG-CB 3.35Å; S15-D37 PolarHBondContact OG-OD2 3.09Å; D37-L39 HydrophobicContact CB-CD2 4.37Å; D37-L39 PolarHBondContact OD1-N 3.18Å; D37-S42 PolarHBondContact OD1-OG 3.15Å; D37-F60 HydrophobicContact CB-CE2 3.68Å; D37-F60 HydrophobicContact CB-CZ 3.94Å; D37-Y61 PolarHBondContact N-O 2.91Å; D37-Y61 VanDerWaalsContact N-O 3.09Å; D37-E62 CarbonylContact O-C 3.59Å; D37-E62 WeakPolarHBondContact O-CA 3.13Å; D37-V63 CarbonylContact C-O 3.56Å; D37-V63 PolarHBondContact O-N 3.01Å
38	N	97.6	Very high	96.8	Very high	47 Å²	47	33.3 Å²	33.3	25%	0.251	19%	0.187	S	C	.	.			trans	-105.6	4.8	172.4	73.2	-1.1	0	0	0	112.9	S40 N64	N38-S40 PolarHBondContact O-N 3.46Å; N38-S40 VanDerWaalsContact O-N 3.08Å; N38-S40 WeakPolarHBondContact OD1-CB 3.41Å; N38-S40 PolarHBondContact OD1-N 2.89Å; N38-S40 PolarHBondContact OD1-OG 2.76Å; N38-N64 HydrophobicContact CB-CB 4.19Å
39	L	96.5	Very high	96.8	Very high	36 Å²	36	29.6 Å²	29.6	19%	0.188	17%	0.167	C	C	.	.			trans	62.9	12.9	176.9	-52.4	-179.9	0	0	0	115.3	S15 D37 N41 S42 I44 F60 E62	S15-L39 WeakPolarHBondContact OG-CD2 3.42Å; D37-L39 HydrophobicContact CB-CD2 4.37Å; D37-L39 PolarHBondContact OD1-N 3.18Å; L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 3.19Å; L39-S42 WeakPolarHBondContact CA-OG 3.11Å; L39-I44 HydrophobicContact CD1-CB 3.96Å; L39-F60 HydrophobicContact CD2-CZ 3.78Å; L39-F60 HydrophobicContact CG-CZ 4.28Å; L39-E62 HydrophobicContact CD1-CG 4.21Å; L39-E62 HydrophobicContact CG-CG 4.36Å
40	S	94.8	Very high	96.9	Very high	71 Å²	71	27.2 Å²	27.2	50%	0.497	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-25.2	-175.7	58.2	0	0	0	0	114.5	N38	N38-S40 PolarHBondContact O-N 3.46Å; N38-S40 VanDerWaalsContact O-N 3.08Å; N38-S40 WeakPolarHBondContact OD1-CB 3.41Å; N38-S40 PolarHBondContact OD1-N 2.89Å; N38-S40 PolarHBondContact OD1-OG 2.76Å
41	N	93.7	Very high	97	Very high	64 Å²	64	28.1 Å²	28.1	34%	0.342	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143.4	38.8	175.8	-169.9	55.9	0	0	0	111.7	L39 Q200	L39-N41 VanDerWaalsContact C-N 3.26Å; L39-N41 PolarHBondContact O-N 3.19Å; N41-Q200 PolarHBondContact OD1-N 3.43Å
42	S	94.3	Very high	97	Very high	8 Å²	8	33 Å²	33	6%	0.056	18%	0.177	C	C	.	.	S	Bend	trans	-152.8	-170.7	179.6	55	0	0	0	0	109.4	S15 D37 L39 Q200	S15-S42 VanDerWaalsContact O-CB 3.23Å; S15-S42 WeakPolarHBondContact O-CB 3.46Å; S15-S42 WeakPolarHBondContact OG-CB 3.26Å; S15-S42 PolarHBondContact OG-OG 3.29Å; D37-S42 PolarHBondContact OD1-OG 3.15Å; L39-S42 WeakPolarHBondContact CA-OG 3.11Å; S42-Q200 PolarHBondContact O-NE2 3.46Å; S42-Q200 VanDerWaalsContact O-NE2 3.13Å
43	S	94.9	Very high	97	Very high	19 Å²	19	32.6 Å²	32.6	13%	0.133	17%	0.171	C	C	.	.			trans	-138.2	141.2	179	177.9	0	0	0	0	110.4	N45 C46	S43-N45 PolarHBondContact O-N 3.37Å; S43-N45 PolarHBondContact OG-N 3.46Å; S43-C46 WeakPolarHBondContact O-CB 3.28Å; S43-C46 PolarHBondContact O-N 2.93Å
44	I	95.6	Very high	97	Very high	73 Å²	73	32.9 Å²	32.9	37%	0.374	17%	0.172	S	C	.	.	H	α-helix	trans	-58.5	-31.7	173.1	-170.9	59.7	0	0	0	111.6	L39 C46 I47 F60	L39-I44 HydrophobicContact CD1-CB 3.96Å; I44-C46 PolarHBondContact O-N 3.02Å; I44-C46 VanDerWaalsContact O-N 3.15Å; I44-I47 HydrophobicContact CD1-CB 4.46Å; I44-I47 HydrophobicContact CD1-CG1 4.06Å; I44-I47 VanDerWaalsContact O-CB 3.25Å; I44-I47 WeakPolarHBondContact O-CB 3.39Å; I44-I47 PolarHBondContact O-N 2.9Å; I44-F60 HydrophobicContact CD1-CD1 3.61Å; I44-F60 HydrophobicContact CD1-CE1 3.46Å; I44-F60 VanDerWaalsContact CD1-CE1 3.46Å; I44-F60 HydrophobicContact CD1-CG 4.45Å; I44-F60 HydrophobicContact CD1-CZ 4.21Å
45	N	96	Very high	96.9	Very high	47 Å²	47	39.8 Å²	39.8	25%	0.251	21%	0.209	S	C	.	.	H	α-helix	trans	-62.3	-24.9	177.7	-68.3	-8	0	0	0	112	S43 I47 E48 R49 Y342	S43-N45 PolarHBondContact O-N 3.37Å; S43-N45 PolarHBondContact OG-N 3.46Å; N45-I47 PolarHBondContact O-N 3.38Å; N45-E48 WeakPolarHBondContact O-CB 3.43Å; N45-E48 PolarHBondContact O-N 2.91Å; N45-R49 WeakPolarHBondContact O-CG 3.3Å; N45-R49 PolarHBondContact O-N 2.59Å; N45-R49 VanDerWaalsContact O-N 3.13Å; N45-Y342 PolarHBondContact ND2-O 2.85Å
46	C	97.1	Very high	96.8	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.8	-37.9	172.7	-175.2	0	0	0	0	111.3	S20 S43 I44 E48 R49 I50 Y342	S20-C46 VanDerWaalsContact CB-SG 3.53Å; S43-C46 WeakPolarHBondContact O-CB 3.28Å; S43-C46 PolarHBondContact O-N 2.93Å; I44-C46 PolarHBondContact O-N 3.02Å; I44-C46 VanDerWaalsContact O-N 3.15Å; C46-E48 PolarHBondContact O-N 2.76Å; C46-R49 WeakPolarHBondContact O-CB 3.35Å; C46-R49 PolarHBondContact O-N 2.89Å; C46-R49 VanDerWaalsContact O-N 3.13Å; C46-I50 WeakPolarHBondContact O-CG1 3.41Å; C46-I50 PolarHBondContact O-N 2.75Å; C46-Y342 HydrophobicContact CB-CD1 4.25Å; C46-Y342 HydrophobicContact CB-CD2 4.35Å; C46-Y342 HydrophobicContact CB-CE1 3.88Å; C46-Y342 HydrophobicContact CB-CE2 4.02Å; C46-Y342 HydrophobicContact CB-CG 4.49Å; C46-Y342 PolarHBondContact SG-OH 3.27Å
47	I	97.9	Very high	96.7	Very high	9 Å²	9	52.5 Å²	52.5	5%	0.046	27%	0.266	C	S	.	.	H	α-helix	trans	-59.3	-47.8	176.1	-59	-57	0	0	0	110.3	A35 I44 N45 R49 I50 E51 L58 F60	A35-I47 HydrophobicContact CB-CD1 4.43Å; I44-I47 HydrophobicContact CD1-CB 4.46Å; I44-I47 HydrophobicContact CD1-CG1 4.06Å; I44-I47 VanDerWaalsContact O-CB 3.25Å; I44-I47 WeakPolarHBondContact O-CB 3.39Å; I44-I47 PolarHBondContact O-N 2.9Å; N45-I47 PolarHBondContact O-N 3.38Å; I47-R49 VanDerWaalsContact C-N 3.25Å; I47-R49 PolarHBondContact O-N 3.49Å; I47-I50 HydrophobicContact CD1-CD1 4.28Å; I47-I50 WeakPolarHBondContact O-CB 3.25Å; I47-I50 PolarHBondContact O-N 2.83Å; I47-I50 VanDerWaalsContact O-N 3.11Å; I47-E51 WeakPolarHBondContact O-CG 3.31Å; I47-E51 PolarHBondContact O-N 3.12Å; I47-L58 HydrophobicContact CD1-CD2 3.99Å; I47-L58 HydrophobicContact CG2-CB 4.36Å; I47-L58 HydrophobicContact CG2-CD2 4.23Å; I47-F60 HydrophobicContact CD1-CD2 3.54Å; I47-F60 HydrophobicContact CD1-CE2 3.95Å; I47-F60 HydrophobicContact CD1-CG 4.18Å; I47-F60 HydrophobicContact CG1-CB 4.5Å; I47-F60 HydrophobicContact CG1-CD2 3.79Å; I47-F60 HydrophobicContact CG1-CE2 4.13Å; I47-F60 HydrophobicContact CG1-CG 4.01Å; I47-F60 HydrophobicContact CG2-CB 4.27Å
48	E	96.5	Very high	96.7	Very high	101 Å²	101	52.5 Å²	52.5	47%	0.472	27%	0.266	S	S	.	.	H	α-helix	trans	-60.6	-35.4	177	-56.8	-175.5	166.2	0	0	112.6	N45 C46 K52	N45-E48 WeakPolarHBondContact O-CB 3.43Å; N45-E48 PolarHBondContact O-N 2.91Å; C46-E48 PolarHBondContact O-N 2.76Å; E48-K52 WeakPolarHBondContact O-CG 3.28Å; E48-K52 PolarHBondContact O-N 3.12Å; E48-K52 VanDerWaalsContact O-N 3.12Å
49	R	97.6	Very high	96.7	Very high	5 Å²	5	53.7 Å²	53.7	2%	0.019	27%	0.272	C	S	.	.	H	α-helix	trans	-69.1	-39.7	175.7	-57.6	-52.6	-173.9	83.2	-6.7	111.8	N45 C46 I47 K52 I53 L194 I195 N338 Y342 T344	N45-R49 WeakPolarHBondContact O-CG 3.3Å; N45-R49 PolarHBondContact O-N 2.59Å; N45-R49 VanDerWaalsContact O-N 3.13Å; C46-R49 WeakPolarHBondContact O-CB 3.35Å; C46-R49 PolarHBondContact O-N 2.89Å; C46-R49 VanDerWaalsContact O-N 3.13Å; I47-R49 VanDerWaalsContact C-N 3.25Å; I47-R49 PolarHBondContact O-N 3.49Å; R49-K52 PolarHBondContact O-N 2.94Å; R49-I53 WeakPolarHBondContact O-CG1 3.5Å; R49-I53 PolarHBondContact O-N 3.49Å; R49-I53 VanDerWaalsContact O-N 3.15Å; R49-L194 WeakPolarHBondContact CB-O 3.41Å; R49-L194 WeakPolarHBondContact CG-O 3.4Å; R49-L194 PolarHBondContact NH1-O 3.29Å; R49-L194 VanDerWaalsContact NH1-O 3.15Å; R49-I195 HydrophobicContact CB-CG2 3.52Å; R49-N338 PolarHBondContact NH1-OD1 2.83Å; R49-N338 PolarHBondContact NH2-OD1 2.77Å; R49-Y342 HydrophobicContact CB-CE1 4.45Å; R49-Y342 HydrophobicContact CG-CD1 3.95Å; R49-Y342 HydrophobicContact CG-CE1 3.86Å; R49-T344 PolarHBondContact NH2-O 2.98Å
50	I	98.3	Very high	96.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-50.8	173.5	-64.9	164.2	0	0	0	109.1	I23 V24 C46 I47 K52 I53 I54 L58 I195	I23-I50 HydrophobicContact CB-CG2 4.45Å; I23-I50 HydrophobicContact CD1-CD1 4.25Å; I23-I50 HydrophobicContact CG2-CG2 3.79Å; V24-I50 HydrophobicContact CG2-CG2 4.17Å; C46-I50 WeakPolarHBondContact O-CG1 3.41Å; C46-I50 PolarHBondContact O-N 2.75Å; I47-I50 HydrophobicContact CD1-CD1 4.28Å; I47-I50 WeakPolarHBondContact O-CB 3.25Å; I47-I50 PolarHBondContact O-N 2.83Å; I47-I50 VanDerWaalsContact O-N 3.11Å; I50-K52 PolarHBondContact O-N 2.85Å; I50-I53 WeakPolarHBondContact O-CA 3.4Å; I50-I53 WeakPolarHBondContact O-CB 3.45Å; I50-I53 PolarHBondContact O-N 3.05Å; I50-I54 HydrophobicContact CG2-CD1 4.17Å; I50-I54 HydrophobicContact CG2-CG2 4.3Å; I50-I54 WeakPolarHBondContact O-CG1 3.48Å; I50-I54 PolarHBondContact O-N 3.32Å; I50-L58 HydrophobicContact CB-CD2 4.42Å; I50-L58 HydrophobicContact CD1-CD2 4.22Å; I50-L58 HydrophobicContact CG2-CD2 3.99Å; I50-I195 HydrophobicContact CG1-CG2 4.16Å
51	E	98.1	Very high	97	Very high	31 Å²	31	52.7 Å²	52.7	15%	0.145	26%	0.256	C	S	.	.	H	α-helix	trans	-53.5	-39.9	178.3	-68.7	-173	153.2	0	0	112.4	I47 N55 E56 K57 L58	I47-E51 WeakPolarHBondContact O-CG 3.31Å; I47-E51 PolarHBondContact O-N 3.12Å; E51-N55 VanDerWaalsContact O-CA 3.26Å; E51-N55 WeakPolarHBondContact O-CA 3.34Å; E51-N55 PolarHBondContact O-N 2.93Å; E51-E56 WeakPolarHBondContact CA-O 3.42Å; E51-E56 WeakPolarHBondContact CB-O 3.37Å; E51-E56 WeakPolarHBondContact CG-O 3.38Å; E51-E56 PolarHBondContact O-N 2.86Å; E51-K57 VanDerWaalsContact CD-CD 3.44Å; E51-K57 WeakPolarHBondContact OE1-CA 3.38Å; E51-K57 WeakPolarHBondContact OE1-CD 3.4Å; E51-K57 IonicContact OE1-NZ 2.79Å; E51-K57 WeakPolarHBondContact OE2-CD 3.23Å; E51-K57 IonicContact OE2-NZ 3.26Å; E51-K57 PolarHBondContact OE2-NZ 3.32Å; E51-L58 HydrophobicContact CG-CB 3.96Å; E51-L58 PolarHBondContact OE1-N 2.89Å
52	K	97.8	Very high	97.2	Very high	109 Å²	109	56 Å²	56	47%	0.474	27%	0.27	S	S	.	.	H	α-helix	trans	-65.3	-37.2	174.4	-73.3	175.7	-176.6	-178.8	0	113.1	E48 R49 I50 L194 I346	E48-K52 WeakPolarHBondContact O-CG 3.28Å; E48-K52 PolarHBondContact O-N 3.12Å; E48-K52 VanDerWaalsContact O-N 3.12Å; R49-K52 PolarHBondContact O-N 2.94Å; I50-K52 PolarHBondContact O-N 2.85Å; K52-L194 HydrophobicContact CB-CD1 4.4Å; K52-I346 HydrophobicContact CD-CD1 4.23Å
53	I	98.2	Very high	97.4	Very high	35 Å²	35	56.7 Å²	56.7	18%	0.179	27%	0.273	C	S	.	.	H	α-helix	trans	-71.9	-45.9	179	-65.4	165.6	0	0	0	110.6	V24 R49 I50 N55 L194 I195	V24-I53 HydrophobicContact CB-CG2 4.46Å; V24-I53 HydrophobicContact CG1-CG2 3.63Å; V24-I53 HydrophobicContact CG2-CB 4.28Å; V24-I53 HydrophobicContact CG2-CD1 4.27Å; V24-I53 HydrophobicContact CG2-CG2 3.93Å; R49-I53 WeakPolarHBondContact O-CG1 3.5Å; R49-I53 PolarHBondContact O-N 3.49Å; R49-I53 VanDerWaalsContact O-N 3.15Å; I50-I53 WeakPolarHBondContact O-CA 3.4Å; I50-I53 WeakPolarHBondContact O-CB 3.45Å; I50-I53 PolarHBondContact O-N 3.05Å; I53-N55 VanDerWaalsContact C-N 3.33Å; I53-L194 HydrophobicContact CD1-CB 4.04Å; I53-L194 HydrophobicContact CG1-CB 4.13Å; I53-L194 HydrophobicContact CG1-CD1 4.02Å; I53-I195 HydrophobicContact CD1-CB 4.3Å; I53-I195 HydrophobicContact CD1-CD1 3.86Å; I53-I195 HydrophobicContact CD1-CG1 3.69Å; I53-I195 HydrophobicContact CD1-CG2 3.84Å
54	I	97.4	Very high	97.6	Very high	19 Å²	19	58.6 Å²	58.6	10%	0.097	28%	0.282	C	S	.	.	H	α-helix	trans	-83.2	-12.6	-177.1	67.4	175.5	0	0	0	113.3	V24 V27 I50 E56	V24-I54 HydrophobicContact CB-CG2 4.41Å; V24-I54 HydrophobicContact CG1-CG2 4.49Å; V24-I54 HydrophobicContact CG2-CG2 4.16Å; V27-I54 HydrophobicContact CB-CB 4.36Å; V27-I54 HydrophobicContact CB-CG2 4Å; V27-I54 HydrophobicContact CG1-CB 3.89Å; V27-I54 HydrophobicContact CG1-CD1 4.41Å; V27-I54 HydrophobicContact CG1-CG2 4.08Å; V27-I54 HydrophobicContact CG2-CD1 4.08Å; V27-I54 HydrophobicContact CG2-CG2 4.38Å; I50-I54 HydrophobicContact CG2-CD1 4.17Å; I50-I54 HydrophobicContact CG2-CG2 4.3Å; I50-I54 WeakPolarHBondContact O-CG1 3.48Å; I50-I54 PolarHBondContact O-N 3.32Å; I54-E56 VanDerWaalsContact C-N 3.28Å; I54-E56 HydrophobicContact CB-CG 4.26Å; I54-E56 HydrophobicContact CD1-CG 3.53Å; I54-E56 HydrophobicContact CG1-CG 3.65Å; I54-E56 PolarHBondContact O-N 3.16Å
55	N	97.1	Very high	97.7	Very high	147 Å²	147	55.6 Å²	55.6	79%	0.786	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	38.4	-178.1	-168.7	51.4	0	0	0	113.5	E51 I53	E51-N55 VanDerWaalsContact O-CA 3.26Å; E51-N55 WeakPolarHBondContact O-CA 3.34Å; E51-N55 PolarHBondContact O-N 2.93Å; I53-N55 VanDerWaalsContact C-N 3.33Å
56	E	95.9	Very high	97.8	Very high	99 Å²	99	56.2 Å²	56.2	46%	0.463	27%	0.269	S	S	.	.	S	Bend	trans	-154	163.8	173.8	62.5	179.1	-165.8	0	0	110.6	V27 E51 I54	V27-E56 WeakPolarHBondContact CG1-OE1 3.02Å; E51-E56 WeakPolarHBondContact CA-O 3.42Å; E51-E56 WeakPolarHBondContact CB-O 3.37Å; E51-E56 WeakPolarHBondContact CG-O 3.38Å; E51-E56 PolarHBondContact O-N 2.86Å; I54-E56 VanDerWaalsContact C-N 3.28Å; I54-E56 HydrophobicContact CB-CG 4.26Å; I54-E56 HydrophobicContact CD1-CG 3.53Å; I54-E56 HydrophobicContact CG1-CG 3.65Å; I54-E56 PolarHBondContact O-N 3.16Å
57	K	97.4	Very high	97.9	Very high	170 Å²	170	60.1 Å²	60.1	74%	0.739	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-75.5	133.9	177.2	-74.8	-62.4	-172.7	179.9	0	110.9	E51	E51-K57 VanDerWaalsContact CD-CD 3.44Å; E51-K57 WeakPolarHBondContact OE1-CA 3.38Å; E51-K57 WeakPolarHBondContact OE1-CD 3.4Å; E51-K57 IonicContact OE1-NZ 2.79Å; E51-K57 WeakPolarHBondContact OE2-CD 3.23Å; E51-K57 IonicContact OE2-NZ 3.26Å; E51-K57 PolarHBondContact OE2-NZ 3.32Å
58	L	98	Very high	97.9	Very high	13 Å²	13	62.8 Å²	62.8	7%	0.068	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-99.1	123.9	177.7	177.6	62.4	0	0	0	109	I23 V33 A35 I47 I50 E51 F60	I23-L58 HydrophobicContact CD1-CD2 4.08Å; I23-L58 HydrophobicContact CG2-CD1 3.93Å; I23-L58 HydrophobicContact CG2-CD2 3.98Å; V33-L58 HydrophobicContact CB-CD1 4.06Å; V33-L58 HydrophobicContact CG1-CD1 4.06Å; A35-L58 HydrophobicContact CB-CD2 4.08Å; A35-L58 HydrophobicContact CB-CG 4.35Å; I47-L58 HydrophobicContact CD1-CD2 3.99Å; I47-L58 HydrophobicContact CG2-CB 4.36Å; I47-L58 HydrophobicContact CG2-CD2 4.23Å; I50-L58 HydrophobicContact CB-CD2 4.42Å; I50-L58 HydrophobicContact CD1-CD2 4.22Å; I50-L58 HydrophobicContact CG2-CD2 3.99Å; E51-L58 HydrophobicContact CG-CB 3.96Å; E51-L58 PolarHBondContact OE1-N 2.89Å; L58-F60 PolarHBondContact O-N 3.26Å
59	L	98.1	Very high	98	Very high	71 Å²	71	64.3 Å²	64.3	37%	0.372	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	118.4	174.2	-173.4	60.7	0	0	0	109.5	I34 A35 Y61 H78	I34-L59 WeakPolarHBondContact CA-O 2.83Å; I34-L59 HydrophobicContact CD1-CD2 3.99Å; I34-L59 HydrophobicContact CG1-CB 4.48Å; I34-L59 HydrophobicContact CG1-CD2 4.02Å; I34-L59 HydrophobicContact CG2-CG 4.46Å; A35-L59 PolarHBondContact N-O 2.95Å; L59-Y61 HydrophobicContact CD1-CE2 4.32Å; L59-Y61 HydrophobicContact CD2-CE2 3.84Å; L59-Y61 HydrophobicContact CG-CE2 3.83Å; L59-H78 WeakPolarHBondContact CD2-CE1 3.42Å; L59-H78 WeakPolarHBondContact CD2-NE2 3.17Å
60	F	98.7	Very high	98.1	Very high	40 Å²	40	65 Å²	65	18%	0.175	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.3	-176.4	178.3	-101.8	0	0	0	111.5	A35 D37 L39 I44 I47 L58 E62	A35-F60 HydrophobicContact CB-CD2 3.81Å; A35-F60 CarbonylContact O-C 3.6Å; A35-F60 WeakPolarHBondContact O-CA 3.26Å; D37-F60 HydrophobicContact CB-CE2 3.68Å; D37-F60 HydrophobicContact CB-CZ 3.94Å; L39-F60 HydrophobicContact CD2-CZ 3.78Å; L39-F60 HydrophobicContact CG-CZ 4.28Å; I44-F60 HydrophobicContact CD1-CD1 3.61Å; I44-F60 HydrophobicContact CD1-CE1 3.46Å; I44-F60 VanDerWaalsContact CD1-CE1 3.46Å; I44-F60 HydrophobicContact CD1-CG 4.45Å; I44-F60 HydrophobicContact CD1-CZ 4.21Å; I47-F60 HydrophobicContact CD1-CD2 3.54Å; I47-F60 HydrophobicContact CD1-CE2 3.95Å; I47-F60 HydrophobicContact CD1-CG 4.18Å; I47-F60 HydrophobicContact CG1-CB 4.5Å; I47-F60 HydrophobicContact CG1-CD2 3.79Å; I47-F60 HydrophobicContact CG1-CE2 4.13Å; I47-F60 HydrophobicContact CG1-CG 4.01Å; I47-F60 HydrophobicContact CG2-CB 4.27Å; L58-F60 PolarHBondContact O-N 3.26Å; F60-E62 HydrophobicContact CE1-CB 3.92Å; F60-E62 HydrophobicContact CZ-CB 4.45Å
61	Y	98.7	Very high	98.1	Very high	47 Å²	47	65 Å²	65	18%	0.184	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	118.9	172.4	-71.7	-80.7	0	0	0	110.2	I34 A35 L36 D37 L59 V63 I74 H78	I34-Y61 HydrophobicContact CG2-CD2 3.57Å; I34-Y61 HydrophobicContact CG2-CE2 3.79Å; A35-Y61 PolarHBondContact O-N 3.13Å; L36-Y61 WeakPolarHBondContact CA-O 3.42Å; D37-Y61 PolarHBondContact N-O 2.91Å; D37-Y61 VanDerWaalsContact N-O 3.09Å; L59-Y61 HydrophobicContact CD1-CE2 4.32Å; L59-Y61 HydrophobicContact CD2-CE2 3.84Å; L59-Y61 HydrophobicContact CG-CE2 3.83Å; Y61-V63 PolarHBondContact O-N 3.38Å; Y61-V63 VanDerWaalsContact O-N 3.13Å; Y61-I74 HydrophobicContact CD1-CD1 4.12Å; Y61-I74 HydrophobicContact CD1-CG1 3.96Å; Y61-I74 HydrophobicContact CD2-CD1 3.99Å; Y61-I74 HydrophobicContact CD2-CG1 4.05Å; Y61-I74 HydrophobicContact CD2-CG2 4.15Å; Y61-I74 HydrophobicContact CE1-CG1 4.26Å; Y61-I74 HydrophobicContact CE2-CG1 4.32Å; Y61-I74 HydrophobicContact CE2-CG2 4.12Å; Y61-I74 HydrophobicContact CG-CD1 3.65Å; Y61-I74 HydrophobicContact CG-CG1 3.87Å; Y61-H78 AromaticContact CE2-NE2 3.68Å; Y61-H78 AromaticContact CZ-NE2 3.63Å; Y61-H78 PolarHBondContact OH-NE2 3.3Å
62	E	98.5	Very high	98.1	Very high	134 Å²	134	64.7 Å²	64.7	63%	0.626	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	89.7	169.5	-167.1	177.5	147.8	0	0	109.4	D37 L39 F60	D37-E62 CarbonylContact O-C 3.59Å; D37-E62 WeakPolarHBondContact O-CA 3.13Å; L39-E62 HydrophobicContact CD1-CG 4.21Å; L39-E62 HydrophobicContact CG-CG 4.36Å; F60-E62 HydrophobicContact CE1-CB 3.92Å; F60-E62 HydrophobicContact CZ-CB 4.45Å
63	V	98.4	Very high	98.2	Very high	21 Å²	21	61.6 Å²	61.6	13%	0.127	30%	0.302	C	S	.	.			trans	-138.1	136.3	-174	169.2	0	0	0	0	110.1	L36 D37 Y61 A70 V71 I74	L36-V63 HydrophobicContact CD1-CB 4.22Å; L36-V63 HydrophobicContact CD1-CG1 4.21Å; L36-V63 HydrophobicContact CD2-CB 4.37Å; L36-V63 VanDerWaalsContact CD2-O 3.26Å; L36-V63 WeakPolarHBondContact CD2-O 3.33Å; L36-V63 HydrophobicContact CG-CB 4.05Å; L36-V63 HydrophobicContact CG-CG1 4.49Å; D37-V63 CarbonylContact C-O 3.56Å; D37-V63 PolarHBondContact O-N 3.01Å; Y61-V63 PolarHBondContact O-N 3.38Å; Y61-V63 VanDerWaalsContact O-N 3.13Å; V63-A70 HydrophobicContact CG1-CB 3.71Å; V63-A70 HydrophobicContact CG2-CB 4.14Å; V63-V71 HydrophobicContact CG1-CG2 4.12Å; V63-I74 HydrophobicContact CB-CD1 4.43Å; V63-I74 HydrophobicContact CG2-CD1 4.11Å
64	N	98.4	Very high	98.2	Very high	59 Å²	59	60.1 Å²	60.1	32%	0.316	30%	0.295	S	S	.	.			trans	-86.6	129.3	168.6	-169.2	-28.9	0	0	0	109.5	N38 L66 D67	N38-N64 HydrophobicContact CB-CB 4.19Å; N64-L66 PolarHBondContact O-N 2.74Å; N64-L66 WeakPolarHBondContact OD1-CB 3.45Å; N64-L66 WeakPolarHBondContact OD1-CG 3.48Å; N64-L66 PolarHBondContact OD1-N 3.16Å; N64-D67 WeakPolarHBondContact O-CB 3.39Å; N64-D67 PolarHBondContact O-N 2.88Å
65	L	98.4	Very high	98.2	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.058	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-15.6	177.8	-67.6	-178.7	0	0	0	113.8	T12 L36 D67 V71 H85 A87 N112	T12-L65 HydrophobicContact CG2-CD1 4.49Å; T12-L65 HydrophobicContact CG2-CD2 4.2Å; L36-L65 HydrophobicContact CD1-CD2 4.02Å; L36-L65 HydrophobicContact CD2-CD2 3.73Å; L36-L65 HydrophobicContact CD2-CG 4.13Å; L65-D67 PolarHBondContact O-N 3.05Å; L65-V71 HydrophobicContact CD2-CG2 3.79Å; L65-H85 VanDerWaalsContact CD1-CE1 3.48Å; L65-H85 WeakPolarHBondContact CD1-CE1 3.29Å; L65-A87 HydrophobicContact CD1-CB 3.56Å; L65-A87 HydrophobicContact CG-CB 4.42Å; L65-N112 WeakPolarHBondContact O-CB 3.43Å; L65-N112 PolarHBondContact O-ND2 3.18Å
66	L	98.4	Very high	98.3	Very high	59 Å²	59	58.6 Å²	58.6	31%	0.309	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.6	171.4	-61.1	-178.2	0	0	0	113.1	N64 E68 V108 N112	N64-L66 PolarHBondContact O-N 2.74Å; N64-L66 WeakPolarHBondContact OD1-CB 3.45Å; N64-L66 WeakPolarHBondContact OD1-CG 3.48Å; N64-L66 PolarHBondContact OD1-N 3.16Å; L66-E68 PolarHBondContact O-N 3.13Å; L66-V108 HydrophobicContact CD2-CB 3.65Å; L66-V108 HydrophobicContact CD2-CG1 3.75Å; L66-N112 PolarHBondContact O-ND2 3.11Å
67	D	98.5	Very high	98.4	Very high	82 Å²	82	60.3 Å²	60.3	44%	0.439	29%	0.288	S	S	.	.			trans	-89.7	84.9	172.1	-170.7	-19.7	0	0	0	109.9	N64 L65 K69 A70 V71	N64-D67 WeakPolarHBondContact O-CB 3.39Å; N64-D67 PolarHBondContact O-N 2.88Å; L65-D67 PolarHBondContact O-N 3.05Å; D67-K69 PolarHBondContact O-N 3.46Å; D67-K69 PolarHBondContact OD1-N 3.14Å; D67-A70 HydrophobicContact CB-CB 3.92Å; D67-A70 VanDerWaalsContact CG-CB 3.41Å; D67-A70 PolarHBondContact O-N 3.46Å; D67-A70 PolarHBondContact OD1-N 3.16Å; D67-V71 WeakPolarHBondContact O-CG2 3.17Å; D67-V71 PolarHBondContact O-N 3Å
68	E	98.4	Very high	98.5	Very high	66 Å²	66	54.2 Å²	54.2	31%	0.308	26%	0.262	S	S	.	.	H	α-helix	trans	-54	-37.7	-179.7	-170.3	177.3	134.6	0	0	111.9	L66 V71 N72 N112 K115 V116	L66-E68 PolarHBondContact O-N 3.13Å; E68-V71 PolarHBondContact O-N 3.48Å; E68-N72 WeakPolarHBondContact O-CB 3.46Å; E68-N72 PolarHBondContact O-N 3.26Å; E68-N112 HydrophobicContact CB-CB 4.15Å; E68-N112 HydrophobicContact CG-CB 4.19Å; E68-N112 PolarHBondContact OE2-OD1 2.88Å; E68-K115 IonicContact OE1-NZ 3.83Å; E68-K115 WeakPolarHBondContact OE2-CD 3.38Å; E68-K115 IonicContact OE2-NZ 2.67Å; E68-K115 PolarHBondContact OE2-NZ 2.96Å; E68-V116 HydrophobicContact CG-CG2 4.25Å
69	K	98.5	Very high	98.4	Very high	132 Å²	132	62 Å²	62	57%	0.574	30%	0.296	S	S	*	.	H	α-helix	trans	-67.1	-47.1	179.3	-169	-160.1	173.2	-56.8	0	111.1	D67 V71 N72 D73	D67-K69 PolarHBondContact O-N 3.46Å; D67-K69 PolarHBondContact OD1-N 3.14Å; K69-V71 VanDerWaalsContact C-N 3.27Å; K69-V71 PolarHBondContact O-N 3.5Å; K69-N72 WeakPolarHBondContact O-CB 3.38Å; K69-N72 PolarHBondContact O-N 3.22Å; K69-N72 VanDerWaalsContact O-N 3.16Å; K69-D73 IonicContact NZ-OD1 3.71Å; K69-D73 PolarHBondContact NZ-OD1 2.69Å; K69-D73 IonicContact NZ-OD2 2.97Å; K69-D73 PolarHBondContact NZ-OD2 3.03Å; K69-D73 VanDerWaalsContact O-CG 3.27Å; K69-D73 PolarHBondContact O-N 3.2Å
70	A	98.5	Very high	98.5	Very high	19 Å²	19	59 Å²	59	16%	0.157	28%	0.28	C	S	.	.	H	α-helix	trans	-63.1	-34.9	178.1	0	0	0	0	0	112.2	V63 D67 I74	V63-A70 HydrophobicContact CG1-CB 3.71Å; V63-A70 HydrophobicContact CG2-CB 4.14Å; D67-A70 HydrophobicContact CB-CB 3.92Å; D67-A70 VanDerWaalsContact CG-CB 3.41Å; D67-A70 PolarHBondContact O-N 3.46Å; D67-A70 PolarHBondContact OD1-N 3.16Å; A70-I74 WeakPolarHBondContact O-CG1 3.49Å
71	V	98.7	Very high	98.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-64.2	-47	171.9	178.5	0	0	0	0	110.4	V63 L65 D67 E68 K69 D73 I74 F75 L113 V116	V63-V71 HydrophobicContact CG1-CG2 4.12Å; L65-V71 HydrophobicContact CD2-CG2 3.79Å; D67-V71 WeakPolarHBondContact O-CG2 3.17Å; D67-V71 PolarHBondContact O-N 3Å; E68-V71 PolarHBondContact O-N 3.48Å; K69-V71 VanDerWaalsContact C-N 3.27Å; K69-V71 PolarHBondContact O-N 3.5Å; V71-D73 PolarHBondContact O-N 2.79Å; V71-I74 WeakPolarHBondContact O-CB 3.27Å; V71-I74 PolarHBondContact O-N 3.25Å; V71-I74 VanDerWaalsContact O-N 3.12Å; V71-F75 HydrophobicContact CG1-CD2 4.33Å; V71-F75 HydrophobicContact CG1-CE2 4.1Å; V71-F75 WeakPolarHBondContact O-CD2 3.39Å; V71-F75 PolarHBondContact O-N 2.95Å; V71-L113 HydrophobicContact CG1-CD1 4.13Å; V71-V116 HydrophobicContact CB-CG2 4.42Å; V71-V116 HydrophobicContact CG1-CB 4.25Å; V71-V116 HydrophobicContact CG1-CG1 4.28Å; V71-V116 HydrophobicContact CG1-CG2 4.11Å
72	N	98.7	Very high	98.5	Very high	26 Å²	26	58.6 Å²	58.6	14%	0.139	28%	0.281	C	S	.	.	H	α-helix	trans	-57.9	-45.4	177	-169.9	70.2	0	0	0	112.7	E68 K69 I74 F75 E76 V116 H120	E68-N72 WeakPolarHBondContact O-CB 3.46Å; E68-N72 PolarHBondContact O-N 3.26Å; K69-N72 WeakPolarHBondContact O-CB 3.38Å; K69-N72 PolarHBondContact O-N 3.22Å; K69-N72 VanDerWaalsContact O-N 3.16Å; N72-I74 PolarHBondContact O-N 3.33Å; N72-F75 PolarHBondContact O-N 2.67Å; N72-E76 PolarHBondContact ND2-OE1 2.89Å; N72-E76 PolarHBondContact O-N 2.8Å; N72-V116 HydrophobicContact CB-CG1 4.32Å; N72-V116 HydrophobicContact CB-CG2 3.96Å; N72-H120 PolarHBondContact OD1-CE1 2.99Å
73	D	98.6	Very high	98.5	Very high	44 Å²	44	52.2 Å²	52.2	24%	0.235	25%	0.251	C	S	.	.	H	α-helix	trans	-57.6	-24.8	178.4	-68.8	-2.4	0	0	0	112.5	K69 V71 K77	K69-D73 IonicContact NZ-OD1 3.71Å; K69-D73 PolarHBondContact NZ-OD1 2.69Å; K69-D73 IonicContact NZ-OD2 2.97Å; K69-D73 PolarHBondContact NZ-OD2 3.03Å; K69-D73 VanDerWaalsContact O-CG 3.27Å; K69-D73 PolarHBondContact O-N 3.2Å; V71-D73 PolarHBondContact O-N 2.79Å; D73-K77 VanDerWaalsContact O-CD 3.26Å; D73-K77 WeakPolarHBondContact O-CD 3.45Å; D73-K77 WeakPolarHBondContact O-CG 3.26Å; D73-K77 PolarHBondContact O-N 2.96Å
74	I	98.7	Very high	98.5	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	25%	0.245	C	C	.	.	H	α-helix	trans	-76.6	-43.2	174.5	-64.3	167.6	0	0	0	110.6	L36 Y61 V63 A70 V71 N72 E76 K77 H78 I80	L36-I74 HydrophobicContact CD1-CD1 3.57Å; L36-I74 HydrophobicContact CG-CD1 4.35Å; Y61-I74 HydrophobicContact CD1-CD1 4.12Å; Y61-I74 HydrophobicContact CD1-CG1 3.96Å; Y61-I74 HydrophobicContact CD2-CD1 3.99Å; Y61-I74 HydrophobicContact CD2-CG1 4.05Å; Y61-I74 HydrophobicContact CD2-CG2 4.15Å; Y61-I74 HydrophobicContact CE1-CG1 4.26Å; Y61-I74 HydrophobicContact CE2-CG1 4.32Å; Y61-I74 HydrophobicContact CE2-CG2 4.12Å; Y61-I74 HydrophobicContact CG-CD1 3.65Å; Y61-I74 HydrophobicContact CG-CG1 3.87Å; V63-I74 HydrophobicContact CB-CD1 4.43Å; V63-I74 HydrophobicContact CG2-CD1 4.11Å; A70-I74 WeakPolarHBondContact O-CG1 3.49Å; V71-I74 WeakPolarHBondContact O-CB 3.27Å; V71-I74 PolarHBondContact O-N 3.25Å; V71-I74 VanDerWaalsContact O-N 3.12Å; N72-I74 PolarHBondContact O-N 3.33Å; I74-E76 VanDerWaalsContact C-N 3.32Å; I74-E76 PolarHBondContact O-N 3.42Å; I74-K77 PolarHBondContact O-N 2.85Å; I74-H78 PolarHBondContact O-CD2 3.1Å; I74-H78 VanDerWaalsContact O-CD2 3.3Å; I74-H78 PolarHBondContact O-N 2.92Å; I74-H78 VanDerWaalsContact O-N 3.09Å; I74-I80 HydrophobicContact CG2-CD1 4.38Å
75	F	98.7	Very high	98.5	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-68	-31.3	177.8	-80.8	-106.2	0	0	0	112.3	L10 V71 N72 K77 I80 V83 L113 V116 M117 H120 V122	L10-F75 HydrophobicContact CD2-CE2 3.56Å; L10-F75 HydrophobicContact CD2-CZ 3.83Å; V71-F75 HydrophobicContact CG1-CD2 4.33Å; V71-F75 HydrophobicContact CG1-CE2 4.1Å; V71-F75 WeakPolarHBondContact O-CD2 3.39Å; V71-F75 PolarHBondContact O-N 2.95Å; N72-F75 PolarHBondContact O-N 2.67Å; F75-K77 VanDerWaalsContact C-N 3.33Å; F75-I80 HydrophobicContact CD1-CB 4.44Å; F75-I80 HydrophobicContact CD1-CD1 3.77Å; F75-I80 HydrophobicContact CD2-CD1 3.84Å; F75-I80 HydrophobicContact CE1-CB 4.27Å; F75-I80 HydrophobicContact CE1-CD1 3.82Å; F75-I80 HydrophobicContact CE1-CG2 4.38Å; F75-I80 HydrophobicContact CE2-CD1 3.9Å; F75-I80 HydrophobicContact CG-CD1 3.79Å; F75-I80 HydrophobicContact CZ-CD1 3.89Å; F75-V83 HydrophobicContact CZ-CG2 4.08Å; F75-L113 HydrophobicContact CE2-CD1 4.02Å; F75-L113 HydrophobicContact CZ-CD1 4.09Å; F75-V116 HydrophobicContact CB-CG1 3.78Å; F75-V116 HydrophobicContact CD1-CG1 4.1Å; F75-V116 HydrophobicContact CD2-CG1 3.35Å; F75-V116 HydrophobicContact CE2-CG1 3.85Å; F75-V116 HydrophobicContact CG-CG1 3.48Å; F75-V116 VanDerWaalsContact CG-CG1 3.48Å; F75-V116 HydrophobicContact CZ-CG1 4.43Å; F75-M117 HydrophobicContact CE1-CG 3.77Å; F75-M117 HydrophobicContact CZ-CG 3.63Å; F75-H120 HydrophobicContact CB-CB 4.42Å; F75-H120 HydrophobicContact CD1-CB 3.9Å; F75-V122 HydrophobicContact CD1-CG2 4.12Å; F75-V122 HydrophobicContact CE1-CB 4.22Å; F75-V122 HydrophobicContact CE1-CG2 3.91Å
76	E	98.4	Very high	98.5	Very high	128 Å²	128	49.1 Å²	49.1	60%	0.598	23%	0.233	S	C	*	.	H	α-helix	trans	-66.7	-34.7	172.3	-71.2	-177.5	172.4	0	0	112.4	N72 I74	N72-E76 PolarHBondContact ND2-OE1 2.89Å; N72-E76 PolarHBondContact O-N 2.8Å; I74-E76 VanDerWaalsContact C-N 3.32Å; I74-E76 PolarHBondContact O-N 3.42Å
77	K	98.4	Very high	98.5	Very high	134 Å²	134	47.3 Å²	47.3	58%	0.583	23%	0.226	S	C	*	.	H	α-helix	trans	-79.6	-25.6	-179.5	-72.8	169.1	-168.3	164.6	0	113.2	D73 I74 F75	D73-K77 VanDerWaalsContact O-CD 3.26Å; D73-K77 WeakPolarHBondContact O-CD 3.45Å; D73-K77 WeakPolarHBondContact O-CG 3.26Å; D73-K77 PolarHBondContact O-N 2.96Å; I74-K77 PolarHBondContact O-N 2.85Å; F75-K77 VanDerWaalsContact C-N 3.33Å
78	H	98.3	Very high	98.5	Very high	42 Å²	42	44.7 Å²	44.7	19%	0.194	22%	0.217	C	C	.	.	S	Bend	trans	-135.9	129.1	-168.9	-60.5	-71.4	0	0	0	112.2	L8 I34 L59 Y61 I74 I80	L8-H78 HydrophobicContact CD2-CB 3.92Å; I34-H78 HydrophobicContact CD1-CB 3.63Å; I34-H78 VanDerWaalsContact CD1-CD2 3.47Å; I34-H78 WeakPolarHBondContact CD1-CD2 3.21Å; L59-H78 WeakPolarHBondContact CD2-CE1 3.42Å; L59-H78 WeakPolarHBondContact CD2-NE2 3.17Å; Y61-H78 AromaticContact CE2-NE2 3.68Å; Y61-H78 AromaticContact CZ-NE2 3.63Å; Y61-H78 PolarHBondContact OH-NE2 3.3Å; I74-H78 PolarHBondContact O-CD2 3.1Å; I74-H78 VanDerWaalsContact O-CD2 3.3Å; I74-H78 PolarHBondContact O-N 2.92Å; I74-H78 VanDerWaalsContact O-N 3.09Å; H78-I80 HydrophobicContact CB-CG1 4.18Å; H78-I80 PolarHBondContact O-N 3.04Å
79	K	97.5	Very high	98.4	Very high	178 Å²	178	42.8 Å²	42.8	77%	0.774	21%	0.208	S	C	*	.			trans	-75.1	88.5	169.6	-172.2	-177.6	177.8	-175	0	109.9
80	I	98.6	Very high	98.2	Very high	8 Å²	8	40 Å²	40	4%	0.041	20%	0.196	C	C	.	.			trans	-78.7	130.5	-179.9	-66.2	161	0	0	0	109.9	L8 L10 I74 F75 H78 Y82 V83 V122	L8-I80 HydrophobicContact CD2-CG1 4.4Å; L10-I80 HydrophobicContact CB-CD1 4.02Å; L10-I80 HydrophobicContact CB-CG1 4.36Å; L10-I80 HydrophobicContact CB-CG2 3.95Å; L10-I80 HydrophobicContact CD2-CD1 4.02Å; L10-I80 HydrophobicContact CG-CD1 4.47Å; I74-I80 HydrophobicContact CG2-CD1 4.38Å; F75-I80 HydrophobicContact CD1-CB 4.44Å; F75-I80 HydrophobicContact CD1-CD1 3.77Å; F75-I80 HydrophobicContact CD2-CD1 3.84Å; F75-I80 HydrophobicContact CE1-CB 4.27Å; F75-I80 HydrophobicContact CE1-CD1 3.82Å; F75-I80 HydrophobicContact CE1-CG2 4.38Å; F75-I80 HydrophobicContact CE2-CD1 3.9Å; F75-I80 HydrophobicContact CG-CD1 3.79Å; F75-I80 HydrophobicContact CZ-CD1 3.89Å; H78-I80 HydrophobicContact CB-CG1 4.18Å; H78-I80 PolarHBondContact O-N 3.04Å; I80-Y82 VanDerWaalsContact CG2-O 3.23Å; I80-Y82 WeakPolarHBondContact CG2-O 3.46Å; I80-V83 HydrophobicContact CG2-CG2 4.05Å; I80-V122 HydrophobicContact CG2-CG1 4.3Å; I80-V122 VanDerWaalsContact O-CG2 3.28Å; I80-V122 WeakPolarHBondContact O-CG2 3.23Å
81	D	98.4	Very high	97.9	Very high	53 Å²	53	39.7 Å²	39.7	28%	0.283	19%	0.193	S	C	.	.			trans	-98	-31.4	178.5	-61.4	-65.2	0	0	0	112.5	G7 L8 N124	G7-D81 WeakPolarHBondContact CA-OD2 3.1Å; L8-D81 PolarHBondContact N-OD2 3.04Å; L8-D81 PolarHBondContact O-N 3.44Å; D81-N124 WeakPolarHBondContact O-CB 3.49Å; D81-N124 PolarHBondContact O-ND2 3.3Å
82	Y	98.7	Very high	97.5	Very high	24 Å²	24	42 Å²	42	9%	0.094	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	149.1	-176.3	-48.8	-86.3	0	0	0	111.3	L8 V9 L10 Y31 I80 N124 L253 V256 K257	L8-Y82 PolarHBondContact O-N 3.29Å; L8-Y82 VanDerWaalsContact O-N 3.14Å; V9-Y82 WeakPolarHBondContact CA-O 3.28Å; V9-Y82 HydrophobicContact CG2-CD2 4.02Å; V9-Y82 HydrophobicContact CG2-CG 4.44Å; L10-Y82 PolarHBondContact N-O 2.85Å; Y31-Y82 HydrophobicContact CE1-CD2 4.32Å; Y31-Y82 HydrophobicContact CE1-CE2 4.14Å; I80-Y82 VanDerWaalsContact CG2-O 3.23Å; I80-Y82 WeakPolarHBondContact CG2-O 3.46Å; Y82-N124 HydrophobicContact CD1-CB 3.62Å; Y82-N124 HydrophobicContact CE1-CB 4.09Å; Y82-N124 HydrophobicContact CG-CB 4.43Å; Y82-L253 HydrophobicContact CD1-CD2 3.93Å; Y82-L253 HydrophobicContact CG-CD1 4.37Å; Y82-L253 HydrophobicContact CG-CD2 4.02Å; Y82-V256 HydrophobicContact CD1-CG1 4.22Å; Y82-V256 HydrophobicContact CE1-CG1 4.33Å; Y82-K257 HydrophobicContact CE1-CG 3.84Å; Y82-K257 WeakPolarHBondContact OH-CE 3.49Å; Y82-K257 WeakPolarHBondContact OH-CG 3.43Å
83	V	98.9	Very high	97	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	130.1	170.9	177.1	0	0	0	0	110	L10 F75 I80 L113 M117 V122 N124 F125 V126	L10-V83 HydrophobicContact CB-CG2 4.28Å; L10-V83 HydrophobicContact CD2-CG2 4.45Å; L10-V83 WeakPolarHBondContact O-CA 3.5Å; F75-V83 HydrophobicContact CZ-CG2 4.08Å; I80-V83 HydrophobicContact CG2-CG2 4.05Å; V83-L113 HydrophobicContact CG1-CD1 4.41Å; V83-L113 HydrophobicContact CG1-CD2 3.94Å; V83-L113 HydrophobicContact CG1-CG 4.47Å; V83-M117 HydrophobicContact CB-CE 3.87Å; V83-M117 HydrophobicContact CB-SD 4.01Å; V83-M117 HydrophobicContact CG1-SD 4.21Å; V83-M117 HydrophobicContact CG2-CE 3.61Å; V83-M117 HydrophobicContact CG2-CG 4.18Å; V83-M117 HydrophobicContact CG2-SD 3.72Å; V83-V122 HydrophobicContact CG2-CG1 4.32Å; V83-N124 PolarHBondContact N-O 2.87Å; V83-F125 HydrophobicContact CB-CD2 3.81Å; V83-F125 HydrophobicContact CB-CE2 4.21Å; V83-F125 HydrophobicContact CG1-CD2 3.76Å; V83-F125 HydrophobicContact CG1-CE2 3.61Å; V83-F125 CarbonylContact O-C 3.43Å; V83-F125 WeakPolarHBondContact O-CA 3.19Å; V83-V126 PolarHBondContact O-N 3.09Å
84	I	98.9	Very high	96.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.2	167.8	-53.2	-171.6	0	0	0	108.5	V9 L10 V11 T12 T22 L26 F86 V126 H249 L253	V9-I84 HydrophobicContact CG1-CD1 4.04Å; V9-I84 HydrophobicContact CG1-CG1 3.8Å; L10-I84 PolarHBondContact O-N 3.46Å; V11-I84 WeakPolarHBondContact CA-O 3.41Å; T12-I84 PolarHBondContact N-O 3.08Å; T22-I84 HydrophobicContact CG2-CD1 4.2Å; L26-I84 HydrophobicContact CD1-CD1 4.05Å; L26-I84 HydrophobicContact CD2-CD1 4.28Å; I84-F86 HydrophobicContact CB-CE2 4.25Å; I84-F86 HydrophobicContact CG2-CD2 3.95Å; I84-F86 HydrophobicContact CG2-CE1 4.47Å; I84-F86 HydrophobicContact CG2-CE2 3.3Å; I84-F86 HydrophobicContact CG2-CZ 3.61Å; I84-V126 WeakPolarHBondContact CA-O 3.29Å; I84-V126 HydrophobicContact CG1-CB 4.19Å; I84-V126 HydrophobicContact CG2-CB 4.34Å; I84-V126 HydrophobicContact CG2-CG1 4.48Å; I84-H249 HydrophobicContact CD1-CB 4.09Å; I84-L253 HydrophobicContact CD1-CD1 4.25Å; I84-L253 HydrophobicContact CD1-CD2 4.21Å; I84-L253 HydrophobicContact CD1-CG 4.28Å; I84-L253 HydrophobicContact CG1-CD2 4.21Å
85	H	98.9	Very high	96.4	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.019	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	100	-171.6	-177.4	55.3	0	0	0	111.7	T12 L65 A87 L113 F125 V126 S128	T12-H85 WeakPolarHBondContact OG1-CA 3.19Å; T12-H85 PolarHBondContact OG1-ND1 2.84Å; L65-H85 VanDerWaalsContact CD1-CE1 3.48Å; L65-H85 WeakPolarHBondContact CD1-CE1 3.29Å; H85-A87 PolarHBondContact CE1-O 3.35Å; H85-A87 VanDerWaalsContact CE1-O 3.26Å; H85-L113 HydrophobicContact CB-CD2 4.37Å; H85-F125 HydrophobicContact CB-CE1 4.11Å; H85-F125 HydrophobicContact CB-CE2 3.92Å; H85-F125 HydrophobicContact CB-CZ 3.39Å; H85-F125 AromaticContact CG-CZ 3.89Å; H85-V126 PolarHBondContact N-O 3.22Å; H85-S128 WeakPolarHBondContact O-CB 3.47Å; H85-S128 PolarHBondContact O-N 3.11Å; H85-S128 PolarHBondContact O-OG 3Å
86	F	98.7	Very high	96.1	Very high	22 Å²	22	46.3 Å²	46.3	10%	0.096	23%	0.234	C	C	.	.			trans	-98.5	-30.9	170.9	-60.4	-81.5	0	0	0	113.5	V11 T12 I18 T22 I84 A88 S128 Y183 H249	V11-F86 HydrophobicContact CG1-CD2 3.63Å; V11-F86 HydrophobicContact CG1-CE2 3.69Å; T12-F86 WeakPolarHBondContact O-CA 3.34Å; T12-F86 WeakPolarHBondContact O-CB 3.23Å; T12-F86 PolarHBondContact O-N 2.97Å; I18-F86 HydrophobicContact CB-CD1 4.09Å; I18-F86 HydrophobicContact CB-CE1 3.99Å; I18-F86 HydrophobicContact CG2-CD1 4.07Å; I18-F86 HydrophobicContact CG2-CE1 3.47Å; I18-F86 VanDerWaalsContact CG2-CE1 3.47Å; I18-F86 HydrophobicContact CG2-CZ 4.16Å; T22-F86 HydrophobicContact CG2-CE2 4.04Å; T22-F86 HydrophobicContact CG2-CZ 3.88Å; T22-F86 VanDerWaalsContact OG1-CZ 3.27Å; T22-F86 WeakPolarHBondContact OG1-CZ 3.46Å; I84-F86 HydrophobicContact CB-CE2 4.25Å; I84-F86 HydrophobicContact CG2-CD2 3.95Å; I84-F86 HydrophobicContact CG2-CE1 4.47Å; I84-F86 HydrophobicContact CG2-CE2 3.3Å; I84-F86 HydrophobicContact CG2-CZ 3.61Å; F86-A88 PolarHBondContact O-N 3.5Å; F86-S128 WeakPolarHBondContact CD1-OG 3.34Å; F86-S128 VanDerWaalsContact CE1-OG 3.3Å; F86-S128 WeakPolarHBondContact CE1-OG 3.39Å; F86-Y183 HydrophobicContact CD1-CE2 4.48Å; F86-Y183 HydrophobicContact CE1-CE2 4.33Å; F86-H249 AromaticContact CE1-CE1 3.71Å; F86-H249 AromaticContact CE1-NE2 3.24Å; F86-H249 WeakPolarHBondContact CE1-NE2 3.41Å; F86-H249 AromaticContact CZ-CD2 3.5Å; F86-H249 VanDerWaalsContact CZ-CD2 3.5Å; F86-H249 WeakPolarHBondContact CZ-CD2 3.48Å; F86-H249 AromaticContact CZ-CE1 3.77Å; F86-H249 AromaticContact CZ-NE2 3.21Å; F86-H249 WeakPolarHBondContact CZ-NE2 3.46Å
87	A	98.4	Very high	95.9	Very high	21 Å²	21	47.6 Å²	47.6	17%	0.174	24%	0.24	C	C	.	.			trans	-49.3	105.8	-174.9	0	0	0	0	0	112.6	T12 L65 H85	T12-A87 PolarHBondContact O-N 2.97Å; T12-A87 VanDerWaalsContact O-N 3.09Å; T12-A87 WeakPolarHBondContact OG1-CB 3.37Å; L65-A87 HydrophobicContact CD1-CB 3.56Å; L65-A87 HydrophobicContact CG-CB 4.42Å; H85-A87 PolarHBondContact CE1-O 3.35Å; H85-A87 VanDerWaalsContact CE1-O 3.26Å
88	A	97.8	Very high	95.7	Very high	28 Å²	28	45.7 Å²	45.7	23%	0.231	23%	0.232	C	C	.	.	S	Bend	trans	-164	150.8	177.5	0	0	0	0	0	109.8	F86 N106	F86-A88 PolarHBondContact O-N 3.5Å; A88-N106 VanDerWaalsContact CA-OD1 3.31Å; A88-N106 WeakPolarHBondContact CA-OD1 3.49Å
89	L	96.7	Very high	95.7	Very high	25 Å²	25	46 Å²	46	13%	0.131	24%	0.237	C	C	.	.			trans	-72.2	132.6	158.4	-60.2	179.1	0	0	0	108.2	Q101 Y102 N105 N106 Y155	L89-Q101 HydrophobicContact CD1-CG 3.84Å; L89-Y102 HydrophobicContact CB-CD1 3.83Å; L89-Y102 HydrophobicContact CB-CD2 4.34Å; L89-Y102 HydrophobicContact CB-CE1 3.51Å; L89-Y102 HydrophobicContact CB-CE2 4.05Å; L89-Y102 HydrophobicContact CB-CG 4.23Å; L89-Y102 HydrophobicContact CD1-CD2 4.09Å; L89-Y102 HydrophobicContact CD1-CE2 4.07Å; L89-Y102 HydrophobicContact CD1-CG 4.49Å; L89-Y102 WeakPolarHBondContact O-CE1 3.39Å; L89-N105 HydrophobicContact CD1-CB 3.97Å; L89-N105 HydrophobicContact CG-CB 4.08Å; L89-N105 PolarHBondContact N-ND2 2.88Å; L89-N106 PolarHBondContact N-OD1 3.03Å; L89-N106 PolarHBondContact O-ND2 3.21Å; L89-Y155 VanDerWaalsContact O-CD2 3.3Å; L89-Y155 WeakPolarHBondContact O-CD2 3.42Å
90	K	94.5	Very high	95.7	Very high	75 Å²	75	43.9 Å²	43.9	33%	0.326	23%	0.234	S	C	.	.			trans	-121.2	-5.4	-166.5	70.8	165.2	-176.3	162.8	0	116.4	V92 Y155 E197	K90-V92 PolarHBondContact O-N 3.49Å; K90-Y155 HydrophobicContact CB-CE2 4.12Å; K90-E197 IonicContact NZ-OE1 2.97Å; K90-E197 PolarHBondContact NZ-OE1 2.69Å
91	S	91.2	Very high	95.7	Very high	12 Å²	12	48 Å²	48	8%	0.084	25%	0.253	C	S	.	.			trans	-80.9	115	-175	178.9	0	0	0	0	111.2	S93 E94 S95 Y102 N204	S91-S93 VanDerWaalsContact C-N 3.33Å; S91-S93 PolarHBondContact O-N 3.25Å; S91-S93 PolarHBondContact OG-OG 3.48Å; S91-E94 PolarHBondContact O-N 3.05Å; S91-E94 PolarHBondContact OG-N 3.46Å; S91-S95 VanDerWaalsContact O-CB 3.29Å; S91-S95 WeakPolarHBondContact O-CB 3.47Å; S91-S95 PolarHBondContact O-N 2.8Å; S91-Y102 VanDerWaalsContact CB-OH 3.3Å; S91-Y102 WeakPolarHBondContact CB-OH 3.36Å; S91-Y102 PolarHBondContact N-OH 3.33Å; S91-Y102 VanDerWaalsContact N-OH 3.1Å; S91-Y102 WeakPolarHBondContact O-CE1 3.45Å; S91-Y102 PolarHBondContact O-OH 2.95Å; S91-N204 PolarHBondContact OG-ND2 3.18Å
92	V	90.3	Very high	95.7	Very high	48 Å²	48	45.6 Å²	45.6	29%	0.291	24%	0.239	S	C	.	.	H	α-helix	trans	-56.5	-48.5	174.6	164.7	0	0	0	0	110.8	K90 S95 T96 T132 N153 Y155	K90-V92 PolarHBondContact O-N 3.49Å; V92-S95 PolarHBondContact O-N 2.91Å; V92-S95 PolarHBondContact O-OG 2.87Å; V92-T96 PolarHBondContact O-N 3.14Å; V92-T132 HydrophobicContact CG2-CG2 4.31Å; V92-N153 HydrophobicContact CG1-CB 4.09Å; V92-N153 WeakPolarHBondContact CG1-ND2 3.27Å; V92-Y155 HydrophobicContact CG2-CD1 3.78Å; V92-Y155 HydrophobicContact CG2-CE1 4.43Å
93	S	87.7	Confident	95.7	Very high	42 Å²	42	47.8 Å²	47.8	29%	0.294	25%	0.248	S	C	.	.	H	α-helix	trans	-65	-40	-177.4	52.1	0	0	0	0	112.9	S91 T96 N204	S91-S93 VanDerWaalsContact C-N 3.33Å; S91-S93 PolarHBondContact O-N 3.25Å; S91-S93 PolarHBondContact OG-OG 3.48Å; S93-T96 PolarHBondContact O-OG1 2.99Å; S93-N204 PolarHBondContact OG-OD1 3.3Å
94	E	91.1	Very high	95.7	Very high	57 Å²	57	51.5 Å²	51.5	27%	0.266	27%	0.268	S	S	.	.	H	α-helix	trans	-72.1	-35.5	177.4	-172.1	-172.3	-142.3	0	0	111.2	S91 T96 Q97 K98 Y102	S91-E94 PolarHBondContact O-N 3.05Å; S91-E94 PolarHBondContact OG-N 3.46Å; E94-T96 PolarHBondContact O-N 2.56Å; E94-T96 VanDerWaalsContact O-N 3.17Å; E94-Q97 CarbonylContact O-C 3.53Å; E94-Q97 WeakPolarHBondContact O-CA 3.49Å; E94-Q97 WeakPolarHBondContact O-CB 3.25Å; E94-Q97 PolarHBondContact O-N 3.36Å; E94-K98 HydrophobicContact CG-CD 4.04Å; E94-K98 HydrophobicContact CG-CG 4.29Å; E94-K98 PolarHBondContact O-N 2.91Å; E94-K98 IonicContact OE1-NZ 3.76Å; E94-K98 PolarHBondContact OE1-NZ 2.59Å; E94-Y102 HydrophobicContact CB-CE2 4.14Å; E94-Y102 HydrophobicContact CG-CE2 3.96Å; E94-Y102 WeakPolarHBondContact OE2-CE2 3.11Å; E94-Y102 PolarHBondContact OE2-OH 3.02Å
95	S	94.1	Very high	95.6	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62.6	-24.8	-177.7	81.4	0	0	0	0	114	S91 V92 Q97 P99 Y102 S154 Y155	S91-S95 VanDerWaalsContact O-CB 3.29Å; S91-S95 WeakPolarHBondContact O-CB 3.47Å; S91-S95 PolarHBondContact O-N 2.8Å; V92-S95 PolarHBondContact O-N 2.91Å; V92-S95 PolarHBondContact O-OG 2.87Å; S95-Q97 VanDerWaalsContact C-N 3.35Å; S95-P99 WeakPolarHBondContact O-CA 3.12Å; S95-Y102 VanDerWaalsContact CB-CE1 3.48Å; S95-S154 VanDerWaalsContact O-CB 3.26Å; S95-S154 WeakPolarHBondContact O-CB 3.21Å; S95-S154 PolarHBondContact O-OG 2.9Å; S95-Y155 PolarHBondContact OG-N 2.86Å; S95-Y155 VanDerWaalsContact OG-N 3.11Å
96	T	92.1	Very high	95.6	Very high	72 Å²	72	52.9 Å²	52.9	44%	0.442	28%	0.276	S	S	.	.	H	α-helix	trans	-75.3	-27.6	173.2	64	0	0	0	0	111.9	V92 S93 E94 N153	V92-T96 PolarHBondContact O-N 3.14Å; S93-T96 PolarHBondContact O-OG1 2.99Å; E94-T96 PolarHBondContact O-N 2.56Å; E94-T96 VanDerWaalsContact O-N 3.17Å; T96-N153 HydrophobicContact CG2-CB 3.83Å
97	Q	94.2	Very high	95.6	Very high	154 Å²	154	53.4 Å²	53.4	72%	0.72	28%	0.279	S	S	*	.	H	α-helix	trans	-88.3	-31.5	178.8	-57.5	-57.6	-36.7	0	0	112.4	E94 S95 P99	E94-Q97 CarbonylContact O-C 3.53Å; E94-Q97 WeakPolarHBondContact O-CA 3.49Å; E94-Q97 WeakPolarHBondContact O-CB 3.25Å; E94-Q97 PolarHBondContact O-N 3.36Å; S95-Q97 VanDerWaalsContact C-N 3.35Å; Q97-P99 WeakPolarHBondContact O-CD 3.21Å
98	K	95.9	Very high	95.6	Very high	94 Å²	94	54.8 Å²	54.8	41%	0.409	29%	0.285	S	S	.	.			trans	-126	55.4	-175.9	-54.3	-173.4	-167.7	161.6	0	112.5	E94 I100 Q101 Y102	E94-K98 HydrophobicContact CG-CD 4.04Å; E94-K98 HydrophobicContact CG-CG 4.29Å; E94-K98 PolarHBondContact O-N 2.91Å; E94-K98 IonicContact OE1-NZ 3.76Å; E94-K98 PolarHBondContact OE1-NZ 2.59Å; K98-I100 PolarHBondContact O-N 3.37Å; K98-Q101 HydrophobicContact CB-CB 4.12Å; K98-Q101 PolarHBondContact O-N 2.97Å; K98-Y102 WeakPolarHBondContact O-CD2 3.44Å; K98-Y102 PolarHBondContact O-N 2.82Å
99	P	96.8	Very high	95.7	Very high	48 Å²	48	53.6 Å²	53.6	31%	0.312	28%	0.275	S	S	.	.	H	α-helix	trans	-55.4	-49.1	-173.4	21.5	-33.7	0	0	0	112.9	S95 Q97 Q101 Y102 Y103 S154	S95-P99 WeakPolarHBondContact O-CA 3.12Å; Q97-P99 WeakPolarHBondContact O-CD 3.21Å; P99-Q101 VanDerWaalsContact C-N 3.29Å; P99-Q101 PolarHBondContact O-N 3.34Å; P99-Y102 WeakPolarHBondContact O-CB 3.46Å; P99-Y102 PolarHBondContact O-N 2.87Å; P99-Y102 VanDerWaalsContact O-N 3.11Å; P99-Y103 HydrophobicContact CB-CD2 4.46Å; P99-Y103 HydrophobicContact CB-CE2 4.38Å; P99-Y103 WeakPolarHBondContact O-CD2 3.38Å; P99-Y103 PolarHBondContact O-N 3.49Å; P99-S154 WeakPolarHBondContact CB-OG 3.36Å
100	I	98.4	Very high	95.7	Very high	135 Å²	135	52.4 Å²	52.4	69%	0.692	27%	0.269	S	S	*	.	H	α-helix	trans	-61.5	-37.1	-177.2	-58	-55.8	0	0	0	112	K98 Y102 Y103 N104	K98-I100 PolarHBondContact O-N 3.37Å; I100-Y102 VanDerWaalsContact C-N 3.35Å; I100-Y102 PolarHBondContact O-N 3.4Å; I100-Y103 PolarHBondContact O-N 2.98Å; I100-N104 VanDerWaalsContact O-CB 3.27Å; I100-N104 WeakPolarHBondContact O-CB 3.24Å; I100-N104 PolarHBondContact O-N 3.38Å
101	Q	98.1	Very high	95.9	Very high	94 Å²	94	52.3 Å²	52.3	44%	0.439	27%	0.272	S	S	.	.	H	α-helix	trans	-64.2	-42	177.1	-172.1	-178	-2.2	0	0	111.4	L89 K98 P99 N105	L89-Q101 HydrophobicContact CD1-CG 3.84Å; K98-Q101 HydrophobicContact CB-CB 4.12Å; K98-Q101 PolarHBondContact O-N 2.97Å; P99-Q101 VanDerWaalsContact C-N 3.29Å; P99-Q101 PolarHBondContact O-N 3.34Å; Q101-N105 WeakPolarHBondContact O-CB 3.5Å; Q101-N105 PolarHBondContact O-N 2.93Å
102	Y	98	Very high	96.3	Very high	2 Å²	2	52.3 Å²	52.3	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-46.7	177	-86	-109.9	0	0	0	111.5	L89 S91 E94 S95 K98 P99 I100 N106 Y155	L89-Y102 HydrophobicContact CB-CD1 3.83Å; L89-Y102 HydrophobicContact CB-CD2 4.34Å; L89-Y102 HydrophobicContact CB-CE1 3.51Å; L89-Y102 HydrophobicContact CB-CE2 4.05Å; L89-Y102 HydrophobicContact CB-CG 4.23Å; L89-Y102 HydrophobicContact CD1-CD2 4.09Å; L89-Y102 HydrophobicContact CD1-CE2 4.07Å; L89-Y102 HydrophobicContact CD1-CG 4.49Å; L89-Y102 WeakPolarHBondContact O-CE1 3.39Å; S91-Y102 VanDerWaalsContact CB-OH 3.3Å; S91-Y102 WeakPolarHBondContact CB-OH 3.36Å; S91-Y102 PolarHBondContact N-OH 3.33Å; S91-Y102 VanDerWaalsContact N-OH 3.1Å; S91-Y102 WeakPolarHBondContact O-CE1 3.45Å; S91-Y102 PolarHBondContact O-OH 2.95Å; E94-Y102 HydrophobicContact CB-CE2 4.14Å; E94-Y102 HydrophobicContact CG-CE2 3.96Å; E94-Y102 WeakPolarHBondContact OE2-CE2 3.11Å; E94-Y102 PolarHBondContact OE2-OH 3.02Å; S95-Y102 VanDerWaalsContact CB-CE1 3.48Å; K98-Y102 WeakPolarHBondContact O-CD2 3.44Å; K98-Y102 PolarHBondContact O-N 2.82Å; P99-Y102 WeakPolarHBondContact O-CB 3.46Å; P99-Y102 PolarHBondContact O-N 2.87Å; P99-Y102 VanDerWaalsContact O-N 3.11Å; I100-Y102 VanDerWaalsContact C-N 3.35Å; I100-Y102 PolarHBondContact O-N 3.4Å; Y102-N106 WeakPolarHBondContact O-CB 3.41Å; Y102-N106 PolarHBondContact O-N 2.62Å; Y102-Y155 HydrophobicContact CE1-CD2 4.46Å
103	Y	98.5	Very high	96.7	Very high	71 Å²	71	50 Å²	50	28%	0.278	26%	0.257	S	S	.	.	H	α-helix	trans	-61.7	-45.5	176.3	-75.2	-70.1	0	0	0	112	P99 I100 L107 N157 T158	P99-Y103 HydrophobicContact CB-CD2 4.46Å; P99-Y103 HydrophobicContact CB-CE2 4.38Å; P99-Y103 WeakPolarHBondContact O-CD2 3.38Å; P99-Y103 PolarHBondContact O-N 3.49Å; I100-Y103 PolarHBondContact O-N 2.98Å; Y103-L107 HydrophobicContact CD1-CD1 3.67Å; Y103-L107 HydrophobicContact CD1-CG 4.29Å; Y103-L107 HydrophobicContact CE1-CD1 4.43Å; Y103-L107 WeakPolarHBondContact O-CA 3.37Å; Y103-L107 WeakPolarHBondContact O-CB 3.33Å; Y103-L107 WeakPolarHBondContact O-CG 3.5Å; Y103-L107 PolarHBondContact O-N 2.82Å; Y103-N157 HydrophobicContact CE1-CB 4.2Å; Y103-N157 WeakPolarHBondContact OH-CB 3.49Å; Y103-N157 PolarHBondContact OH-ND2 3.2Å; Y103-T158 HydrophobicContact CD1-CG2 3.52Å; Y103-T158 HydrophobicContact CE1-CG2 3.84Å; Y103-T158 HydrophobicContact CG-CG2 4.04Å
104	N	98.5	Very high	97.2	Very high	78 Å²	78	48.4 Å²	48.4	42%	0.417	25%	0.245	S	C	.	.	I	π-helix	trans	-60.6	-54.7	177.9	-172.9	59.5	0	0	0	111.1	I100 V108	I100-N104 VanDerWaalsContact O-CB 3.27Å; I100-N104 WeakPolarHBondContact O-CB 3.24Å; I100-N104 PolarHBondContact O-N 3.38Å; N104-V108 WeakPolarHBondContact O-CB 3.21Å; N104-V108 WeakPolarHBondContact O-CG2 3.42Å; N104-V108 PolarHBondContact O-N 2.81Å
105	N	98.5	Very high	97.6	Very high	30 Å²	30	50.1 Å²	50.1	16%	0.16	25%	0.252	C	S	.	.	I	π-helix	trans	-62.7	-50	-177.5	-174.3	90.3	0	0	0	112.4	L89 Q101 G109	L89-N105 HydrophobicContact CD1-CB 3.97Å; L89-N105 HydrophobicContact CG-CB 4.08Å; L89-N105 PolarHBondContact N-ND2 2.88Å; Q101-N105 WeakPolarHBondContact O-CB 3.5Å; Q101-N105 PolarHBondContact O-N 2.93Å; N105-G109 PolarHBondContact O-N 3.37Å
106	N	98.6	Very high	97.8	Very high	3 Å²	3	50.1 Å²	50.1	2%	0.016	25%	0.252	C	S	.	.	I	π-helix	trans	-80.1	-32.8	-170	-63.5	-0.5	0	0	0	112.5	A88 L89 Y102 I110 T158	A88-N106 VanDerWaalsContact CA-OD1 3.31Å; A88-N106 WeakPolarHBondContact CA-OD1 3.49Å; L89-N106 PolarHBondContact N-OD1 3.03Å; L89-N106 PolarHBondContact O-ND2 3.21Å; Y102-N106 WeakPolarHBondContact O-CB 3.41Å; Y102-N106 PolarHBondContact O-N 2.62Å; N106-I110 WeakPolarHBondContact O-CG2 3.41Å; N106-T158 HydrophobicContact CB-CG2 4.08Å; N106-T158 PolarHBondContact ND2-OG1 3.26Å
107	L	98.7	Very high	98.1	Very high	32 Å²	32	46.7 Å²	46.7	17%	0.168	23%	0.231	C	C	.	.	I	π-helix	trans	-92.7	-46	-179.2	-55.7	-171.6	0	0	0	112.9	Y103 G109 I110 L111 T158 C161	Y103-L107 HydrophobicContact CD1-CD1 3.67Å; Y103-L107 HydrophobicContact CD1-CG 4.29Å; Y103-L107 HydrophobicContact CE1-CD1 4.43Å; Y103-L107 WeakPolarHBondContact O-CA 3.37Å; Y103-L107 WeakPolarHBondContact O-CB 3.33Å; Y103-L107 WeakPolarHBondContact O-CG 3.5Å; Y103-L107 PolarHBondContact O-N 2.82Å; L107-G109 VanDerWaalsContact C-N 3.32Å; L107-G109 PolarHBondContact O-N 2.96Å; L107-I110 VanDerWaalsContact O-CG2 3.29Å; L107-I110 WeakPolarHBondContact O-CG2 3.47Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 WeakPolarHBondContact O-CD1 3.43Å; L107-L111 WeakPolarHBondContact O-CG 3.21Å; L107-L111 PolarHBondContact O-N 2.89Å; L107-T158 HydrophobicContact CG-CG2 4.42Å; L107-C161 HydrophobicContact CD1-CB 4.15Å; L107-C161 HydrophobicContact CD2-CB 3.7Å
108	V	98.6	Very high	98.4	Very high	51 Å²	51	43.7 Å²	43.7	31%	0.309	22%	0.219	S	C	.	.	I	π-helix	trans	-67.8	-38.9	178.8	-177.2	0	0	0	0	109.9	L66 N104 I110 L111 N112	L66-V108 HydrophobicContact CD2-CB 3.65Å; L66-V108 HydrophobicContact CD2-CG1 3.75Å; N104-V108 WeakPolarHBondContact O-CB 3.21Å; N104-V108 WeakPolarHBondContact O-CG2 3.42Å; N104-V108 PolarHBondContact O-N 2.81Å; V108-I110 PolarHBondContact O-N 2.81Å; V108-L111 PolarHBondContact O-N 2.98Å; V108-N112 VanDerWaalsContact O-CG 3.3Å; V108-N112 PolarHBondContact O-N 3Å; V108-N112 PolarHBondContact O-OD1 3.32Å
109	G	98.5	Very high	98.5	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.021	23%	0.228	C	C	.	.	H	α-helix	trans	-58.9	-46.4	177	0	0	0	0	0	113.6	N105 L107 L113	N105-G109 PolarHBondContact O-N 3.37Å; L107-G109 VanDerWaalsContact C-N 3.32Å; L107-G109 PolarHBondContact O-N 2.96Å; G109-L113 PolarHBondContact O-N 2.97Å; G109-L113 VanDerWaalsContact O-N 3.16Å
110	I	98.5	Very high	98.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-70.3	-36.7	176.7	-164.8	175.6	0	0	0	111.9	N106 L107 V108 L113 L114 F125 L127 C162 L166	N106-I110 WeakPolarHBondContact O-CG2 3.41Å; L107-I110 VanDerWaalsContact O-CG2 3.29Å; L107-I110 WeakPolarHBondContact O-CG2 3.47Å; V108-I110 PolarHBondContact O-N 2.81Å; I110-L113 PolarHBondContact O-N 3.2Å; I110-L114 HydrophobicContact CD1-CD1 4.47Å; I110-L114 HydrophobicContact CG1-CD1 4.04Å; I110-L114 HydrophobicContact CG1-CG 4.18Å; I110-L114 WeakPolarHBondContact O-CB 3.48Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.42Å; I110-L114 PolarHBondContact O-N 3.24Å; I110-F125 HydrophobicContact CD1-CE1 4.23Å; I110-F125 HydrophobicContact CD1-CZ 4.06Å; I110-F125 HydrophobicContact CG1-CZ 4.2Å; I110-L127 HydrophobicContact CD1-CD1 3.97Å; I110-C162 HydrophobicContact CD1-CB 4.08Å; I110-L166 HydrophobicContact CD1-CD1 4.48Å
111	L	98.8	Very high	98.5	Very high	74 Å²	74	45.2 Å²	45.2	39%	0.387	22%	0.224	S	C	.	.	H	α-helix	trans	-62.7	-44.9	177.4	-74.6	170.1	0	0	0	111.5	L107 V108 L113 L114 K115 I165	L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 WeakPolarHBondContact O-CD1 3.43Å; L107-L111 WeakPolarHBondContact O-CG 3.21Å; L107-L111 PolarHBondContact O-N 2.89Å; V108-L111 PolarHBondContact O-N 2.98Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L111-L113 PolarHBondContact O-N 3.41Å; L111-L114 PolarHBondContact O-N 3.5Å; L111-K115 WeakPolarHBondContact O-CG 3.47Å; L111-K115 PolarHBondContact O-N 2.86Å; L111-I165 HydrophobicContact CD2-CD1 4.22Å; L111-I165 HydrophobicContact CD2-CG2 4.16Å
112	N	98.7	Very high	98.6	Very high	11 Å²	11	41.2 Å²	41.2	6%	0.059	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-45.7	174.7	-71.2	-2.4	0	0	0	111.3	L65 L66 E68 V108 L114 K115 V116	L65-N112 WeakPolarHBondContact O-CB 3.43Å; L65-N112 PolarHBondContact O-ND2 3.18Å; L66-N112 PolarHBondContact O-ND2 3.11Å; E68-N112 HydrophobicContact CB-CB 4.15Å; E68-N112 HydrophobicContact CG-CB 4.19Å; E68-N112 PolarHBondContact OE2-OD1 2.88Å; V108-N112 VanDerWaalsContact O-CG 3.3Å; V108-N112 PolarHBondContact O-N 3Å; V108-N112 PolarHBondContact O-OD1 3.32Å; N112-L114 PolarHBondContact O-N 2.82Å; N112-K115 PolarHBondContact O-N 3.42Å; N112-V116 WeakPolarHBondContact O-CG2 3.26Å; N112-V116 PolarHBondContact O-N 3.5Å
113	L	98.8	Very high	98.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-60.1	-46.2	177.1	-179.9	60.3	0	0	0	112.1	L10 T12 V71 F75 V83 H85 G109 I110 L111 V116 M117 F125	L10-L113 HydrophobicContact CD2-CD1 4.26Å; T12-L113 HydrophobicContact CG2-CD1 4.46Å; T12-L113 HydrophobicContact CG2-CD2 3.92Å; V71-L113 HydrophobicContact CG1-CD1 4.13Å; F75-L113 HydrophobicContact CE2-CD1 4.02Å; F75-L113 HydrophobicContact CZ-CD1 4.09Å; V83-L113 HydrophobicContact CG1-CD1 4.41Å; V83-L113 HydrophobicContact CG1-CD2 3.94Å; V83-L113 HydrophobicContact CG1-CG 4.47Å; H85-L113 HydrophobicContact CB-CD2 4.37Å; G109-L113 PolarHBondContact O-N 2.97Å; G109-L113 VanDerWaalsContact O-N 3.16Å; I110-L113 PolarHBondContact O-N 3.2Å; L111-L113 VanDerWaalsContact C-N 3.34Å; L111-L113 PolarHBondContact O-N 3.41Å; L113-V116 PolarHBondContact O-N 2.78Å; L113-M117 HydrophobicContact CD1-CG 4.46Å; L113-M117 HydrophobicContact CD1-SD 4.48Å; L113-M117 HydrophobicContact CG-SD 4.18Å; L113-M117 WeakPolarHBondContact O-CB 3.37Å; L113-M117 VanDerWaalsContact O-CG 3.25Å; L113-M117 WeakPolarHBondContact O-CG 3.42Å; L113-M117 PolarHBondContact O-N 2.7Å; L113-F125 HydrophobicContact CD2-CE2 3.91Å; L113-F125 HydrophobicContact CD2-CZ 4.4Å; L113-F125 HydrophobicContact CG-CE2 4.47Å
114	L	98.8	Very high	98.6	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-65.9	-38.2	-180	-70	172.9	0	0	0	112.5	I110 L111 N112 M117 I118 F125 I165 L166 L169 W176	I110-L114 HydrophobicContact CD1-CD1 4.47Å; I110-L114 HydrophobicContact CG1-CD1 4.04Å; I110-L114 HydrophobicContact CG1-CG 4.18Å; I110-L114 WeakPolarHBondContact O-CB 3.48Å; I110-L114 VanDerWaalsContact O-CG 3.28Å; I110-L114 WeakPolarHBondContact O-CG 3.42Å; I110-L114 PolarHBondContact O-N 3.24Å; L111-L114 PolarHBondContact O-N 3.5Å; N112-L114 PolarHBondContact O-N 2.82Å; L114-M117 HydrophobicContact CD2-SD 4.27Å; L114-M117 PolarHBondContact O-N 2.99Å; L114-I118 WeakPolarHBondContact O-CD1 3.26Å; L114-I118 VanDerWaalsContact O-CG1 3.25Å; L114-I118 WeakPolarHBondContact O-CG1 3.46Å; L114-I118 PolarHBondContact O-N 2.92Å; L114-F125 HydrophobicContact CD2-CD2 4.4Å; L114-F125 HydrophobicContact CD2-CE2 4.28Å; L114-I165 HydrophobicContact CD1-CG2 3.9Å; L114-L166 HydrophobicContact CD1-CD2 3.89Å; L114-L166 HydrophobicContact CD2-CD2 3.85Å; L114-L166 HydrophobicContact CG-CD2 4.5Å; L114-L169 HydrophobicContact CD1-CD2 4.4Å; L114-L169 HydrophobicContact CD2-CD2 3.95Å; L114-W176 HydrophobicContact CD2-CH2 4.41Å; L114-W176 HydrophobicContact CD2-CZ3 4.19Å
115	K	98.7	Very high	98.6	Very high	94 Å²	94	37.7 Å²	37.7	41%	0.409	19%	0.19	S	C	.	.	H	α-helix	trans	-58.5	-51.5	173.6	-72.7	175.4	-171.6	175.5	0	111.6	E68 L111 N112 M117 I118 E119	E68-K115 IonicContact OE1-NZ 3.83Å; E68-K115 WeakPolarHBondContact OE2-CD 3.38Å; E68-K115 IonicContact OE2-NZ 2.67Å; E68-K115 PolarHBondContact OE2-NZ 2.96Å; L111-K115 WeakPolarHBondContact O-CG 3.47Å; L111-K115 PolarHBondContact O-N 2.86Å; N112-K115 PolarHBondContact O-N 3.42Å; K115-M117 VanDerWaalsContact C-N 3.29Å; K115-M117 PolarHBondContact O-N 2.96Å; K115-I118 WeakPolarHBondContact O-CB 3.47Å; K115-I118 PolarHBondContact O-N 2.9Å; K115-I118 VanDerWaalsContact O-N 3.12Å; K115-E119 WeakPolarHBondContact O-CG 3.24Å; K115-E119 PolarHBondContact O-N 3.25Å
116	V	98.8	Very high	98.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.8	-41	179.3	172.8	0	0	0	0	111.1	E68 V71 N72 F75 N112 L113 I118 E119 H120	E68-V116 HydrophobicContact CG-CG2 4.25Å; V71-V116 HydrophobicContact CB-CG2 4.42Å; V71-V116 HydrophobicContact CG1-CB 4.25Å; V71-V116 HydrophobicContact CG1-CG1 4.28Å; V71-V116 HydrophobicContact CG1-CG2 4.11Å; N72-V116 HydrophobicContact CB-CG1 4.32Å; N72-V116 HydrophobicContact CB-CG2 3.96Å; F75-V116 HydrophobicContact CB-CG1 3.78Å; F75-V116 HydrophobicContact CD1-CG1 4.1Å; F75-V116 HydrophobicContact CD2-CG1 3.35Å; F75-V116 HydrophobicContact CE2-CG1 3.85Å; F75-V116 HydrophobicContact CG-CG1 3.48Å; F75-V116 VanDerWaalsContact CG-CG1 3.48Å; F75-V116 HydrophobicContact CZ-CG1 4.43Å; N112-V116 WeakPolarHBondContact O-CG2 3.26Å; N112-V116 PolarHBondContact O-N 3.5Å; L113-V116 PolarHBondContact O-N 2.78Å; V116-I118 PolarHBondContact O-N 3.14Å; V116-E119 PolarHBondContact O-N 2.83Å; V116-H120 PolarHBondContact O-N 3.42Å; V116-H120 PolarHBondContact O-ND1 3.05Å
117	M	98.8	Very high	98.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-41.5	175	-75.1	178.7	75.3	0	0	112.7	F75 V83 L113 L114 K115 H120 N121 V122 F125 W176	F75-M117 HydrophobicContact CE1-CG 3.77Å; F75-M117 HydrophobicContact CZ-CG 3.63Å; V83-M117 HydrophobicContact CB-CE 3.87Å; V83-M117 HydrophobicContact CB-SD 4.01Å; V83-M117 HydrophobicContact CG1-SD 4.21Å; V83-M117 HydrophobicContact CG2-CE 3.61Å; V83-M117 HydrophobicContact CG2-CG 4.18Å; V83-M117 HydrophobicContact CG2-SD 3.72Å; L113-M117 HydrophobicContact CD1-CG 4.46Å; L113-M117 HydrophobicContact CD1-SD 4.48Å; L113-M117 HydrophobicContact CG-SD 4.18Å; L113-M117 WeakPolarHBondContact O-CB 3.37Å; L113-M117 VanDerWaalsContact O-CG 3.25Å; L113-M117 WeakPolarHBondContact O-CG 3.42Å; L113-M117 PolarHBondContact O-N 2.7Å; L114-M117 HydrophobicContact CD2-SD 4.27Å; L114-M117 PolarHBondContact O-N 2.99Å; K115-M117 VanDerWaalsContact C-N 3.29Å; K115-M117 PolarHBondContact O-N 2.96Å; M117-H120 CarbonylContact O-C 3.55Å; M117-H120 PolarHBondContact O-N 3.41Å; M117-N121 PolarHBondContact O-N 3.02Å; M117-V122 HydrophobicContact CB-CB 4.4Å; M117-V122 HydrophobicContact CE-CB 4.3Å; M117-V122 HydrophobicContact CE-CG1 3.85Å; M117-V122 WeakPolarHBondContact CE-O 3.44Å; M117-V122 HydrophobicContact CG-CB 4.43Å; M117-V122 PolarHBondContact O-N 2.8Å; M117-F125 HydrophobicContact CE-CB 4.25Å; M117-F125 HydrophobicContact CE-CD2 3.68Å; M117-F125 HydrophobicContact CE-CG 4.44Å; M117-F125 HydrophobicContact SD-CD2 3.56Å; M117-F125 VanDerWaalsContact SD-CD2 3.56Å; M117-F125 HydrophobicContact SD-CE2 3.87Å; M117-W176 HydrophobicContact CB-CH2 3.91Å; M117-W176 HydrophobicContact CE-CH2 4.24Å; M117-W176 HydrophobicContact CE-CZ3 3.83Å
118	I	98.5	Very high	98.6	Very high	91 Å²	91	34.9 Å²	34.9	47%	0.467	18%	0.175	S	C	.	.	H	α-helix	trans	-59.6	-48.9	175.1	-71.1	161	0	0	0	110.1	L114 K115 V116 H120 N121 L169 W176	L114-I118 WeakPolarHBondContact O-CD1 3.26Å; L114-I118 VanDerWaalsContact O-CG1 3.25Å; L114-I118 WeakPolarHBondContact O-CG1 3.46Å; L114-I118 PolarHBondContact O-N 2.92Å; K115-I118 WeakPolarHBondContact O-CB 3.47Å; K115-I118 PolarHBondContact O-N 2.9Å; K115-I118 VanDerWaalsContact O-N 3.12Å; V116-I118 PolarHBondContact O-N 3.14Å; I118-H120 VanDerWaalsContact C-N 3.25Å; I118-H120 PolarHBondContact O-N 3.34Å; I118-N121 PolarHBondContact O-N 2.91Å; I118-N121 VanDerWaalsContact O-N 3.12Å; I118-L169 HydrophobicContact CD1-CD1 4.24Å; I118-W176 HydrophobicContact CG1-CH2 4.19Å; I118-W176 HydrophobicContact CG1-CZ2 3.57Å
119	E	98.3	Very high	98.6	Very high	129 Å²	129	32.5 Å²	32.5	60%	0.603	16%	0.161	S	C	*	.	H	α-helix	trans	-61.5	-33.8	-179.2	-69.5	175.1	179	0	0	112.7	K115 V116	K115-E119 WeakPolarHBondContact O-CG 3.24Å; K115-E119 PolarHBondContact O-N 3.25Å; V116-E119 PolarHBondContact O-N 2.83Å
120	H	98.6	Very high	98.6	Very high	63 Å²	63	33 Å²	33	29%	0.292	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	5	178.9	-70.1	75.7	0	0	0	114	N72 F75 V116 M117 I118 V122	N72-H120 PolarHBondContact OD1-CE1 2.99Å; F75-H120 HydrophobicContact CB-CB 4.42Å; F75-H120 HydrophobicContact CD1-CB 3.9Å; V116-H120 PolarHBondContact O-N 3.42Å; V116-H120 PolarHBondContact O-ND1 3.05Å; M117-H120 CarbonylContact O-C 3.55Å; M117-H120 PolarHBondContact O-N 3.41Å; I118-H120 VanDerWaalsContact C-N 3.25Å; I118-H120 PolarHBondContact O-N 3.34Å; H120-V122 HydrophobicContact CB-CG2 4.15Å; H120-V122 PolarHBondContact O-N 2.79Å
121	N	98.1	Very high	98.5	Very high	116 Å²	116	33.6 Å²	33.6	62%	0.62	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.4	36.1	-178.3	-167.6	52.9	0	0	0	113.7	M117 I118 K123	M117-N121 PolarHBondContact O-N 3.02Å; I118-N121 PolarHBondContact O-N 2.91Å; I118-N121 VanDerWaalsContact O-N 3.12Å; N121-K123 WeakPolarHBondContact OD1-CE 3.27Å
122	V	98.5	Very high	98.3	Very high	11 Å²	11	31.7 Å²	31.7	7%	0.067	16%	0.16	C	C	.	.			trans	-93.9	116.9	173.2	-177.1	0	0	0	0	108.3	F75 I80 V83 M117 H120 W176	F75-V122 HydrophobicContact CD1-CG2 4.12Å; F75-V122 HydrophobicContact CE1-CB 4.22Å; F75-V122 HydrophobicContact CE1-CG2 3.91Å; I80-V122 HydrophobicContact CG2-CG1 4.3Å; I80-V122 VanDerWaalsContact O-CG2 3.28Å; I80-V122 WeakPolarHBondContact O-CG2 3.23Å; V83-V122 HydrophobicContact CG2-CG1 4.32Å; M117-V122 HydrophobicContact CB-CB 4.4Å; M117-V122 HydrophobicContact CE-CB 4.3Å; M117-V122 HydrophobicContact CE-CG1 3.85Å; M117-V122 WeakPolarHBondContact CE-O 3.44Å; M117-V122 HydrophobicContact CG-CB 4.43Å; M117-V122 PolarHBondContact O-N 2.8Å; H120-V122 HydrophobicContact CB-CG2 4.15Å; H120-V122 PolarHBondContact O-N 2.79Å; V122-W176 VanDerWaalsContact O-CH2 3.3Å; V122-W176 WeakPolarHBondContact O-CH2 3.44Å
123	K	98.5	Very high	98.3	Very high	45 Å²	45	31.1 Å²	31.1	20%	0.196	16%	0.157	C	C	.	.			trans	-123.7	12.5	-169.1	-60.2	-164	-175.1	-171	0	115.1	N121 D173 T175 W176 N177	N121-K123 WeakPolarHBondContact OD1-CE 3.27Å; K123-D173 IonicContact NZ-OD1 2.71Å; K123-D173 IonicContact NZ-OD2 3.23Å; K123-D173 PolarHBondContact NZ-OD2 3.36Å; K123-T175 VanDerWaalsContact CD-OG1 3.28Å; K123-T175 WeakPolarHBondContact CD-OG1 3.37Å; K123-T175 PolarHBondContact NZ-OG1 2.97Å; K123-W176 HydrophobicContact CB-CD2 4.01Å; K123-W176 HydrophobicContact CB-CE3 4.24Å; K123-W176 HydrophobicContact CB-CG 4.23Å; K123-W176 HydrophobicContact CD-CD2 4.5Å; K123-W176 HydrophobicContact CD-CG 4.33Å; K123-W176 HydrophobicContact CG-CD2 4.14Å; K123-W176 HydrophobicContact CG-CG 4.43Å; K123-W176 HydrophobicContact CG-CZ2 4.19Å; K123-N177 PolarHBondContact O-N 3.24Å
124	N	98.7	Very high	98.1	Very high	32 Å²	32	31.3 Å²	31.3	17%	0.171	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.1	-176.7	-68.2	-38	0	0	0	109.4	D81 Y82 V83 N177 V256	D81-N124 WeakPolarHBondContact O-CB 3.49Å; D81-N124 PolarHBondContact O-ND2 3.3Å; Y82-N124 HydrophobicContact CD1-CB 3.62Å; Y82-N124 HydrophobicContact CE1-CB 4.09Å; Y82-N124 HydrophobicContact CG-CB 4.43Å; V83-N124 PolarHBondContact N-O 2.87Å; N124-N177 PolarHBondContact OD1-ND2 3.23Å; N124-V256 HydrophobicContact CB-CG1 3.4Å; N124-V256 VanDerWaalsContact CG-CG1 3.47Å; N124-V256 WeakPolarHBondContact OD1-CG1 3.41Å
125	F	98.8	Very high	97.9	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	133.8	-168.9	-165.8	-97.7	0	0	0	112.6	V83 H85 I110 L113 L114 M117 L127 L166 N177 I178 I179	V83-F125 HydrophobicContact CB-CD2 3.81Å; V83-F125 HydrophobicContact CB-CE2 4.21Å; V83-F125 HydrophobicContact CG1-CD2 3.76Å; V83-F125 HydrophobicContact CG1-CE2 3.61Å; V83-F125 CarbonylContact O-C 3.43Å; V83-F125 WeakPolarHBondContact O-CA 3.19Å; H85-F125 HydrophobicContact CB-CE1 4.11Å; H85-F125 HydrophobicContact CB-CE2 3.92Å; H85-F125 HydrophobicContact CB-CZ 3.39Å; H85-F125 AromaticContact CG-CZ 3.89Å; I110-F125 HydrophobicContact CD1-CE1 4.23Å; I110-F125 HydrophobicContact CD1-CZ 4.06Å; I110-F125 HydrophobicContact CG1-CZ 4.2Å; L113-F125 HydrophobicContact CD2-CE2 3.91Å; L113-F125 HydrophobicContact CD2-CZ 4.4Å; L113-F125 HydrophobicContact CG-CE2 4.47Å; L114-F125 HydrophobicContact CD2-CD2 4.4Å; L114-F125 HydrophobicContact CD2-CE2 4.28Å; M117-F125 HydrophobicContact CE-CB 4.25Å; M117-F125 HydrophobicContact CE-CD2 3.68Å; M117-F125 HydrophobicContact CE-CG 4.44Å; M117-F125 HydrophobicContact SD-CD2 3.56Å; M117-F125 VanDerWaalsContact SD-CD2 3.56Å; M117-F125 HydrophobicContact SD-CE2 3.87Å; F125-L127 HydrophobicContact CD1-CB 4.32Å; F125-L127 HydrophobicContact CE1-CB 3.89Å; F125-L127 HydrophobicContact CE1-CD1 4.29Å; F125-L166 HydrophobicContact CD1-CD1 4.05Å; F125-L166 HydrophobicContact CD1-CD2 3.89Å; F125-L166 HydrophobicContact CE1-CD1 3.84Å; F125-L166 HydrophobicContact CE1-CD2 3.94Å; F125-N177 PolarHBondContact N-O 2.85Å; F125-I178 HydrophobicContact CB-CG1 4.25Å; F125-I178 HydrophobicContact CD1-CG2 4.49Å; F125-I178 WeakPolarHBondContact O-CA 3.06Å; F125-I179 PolarHBondContact O-N 2.71Å
126	V	98.8	Very high	97.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	117	170.9	-176.8	0	0	0	0	109.1	V83 I84 H85 I179 L181 L253 V256	V83-V126 PolarHBondContact O-N 3.09Å; I84-V126 WeakPolarHBondContact CA-O 3.29Å; I84-V126 HydrophobicContact CG1-CB 4.19Å; I84-V126 HydrophobicContact CG2-CB 4.34Å; I84-V126 HydrophobicContact CG2-CG1 4.48Å; H85-V126 PolarHBondContact N-O 3.22Å; V126-I179 CarbonylContact C-O 3.44Å; V126-I179 WeakPolarHBondContact CA-O 3.43Å; V126-I179 HydrophobicContact CG2-CB 4.48Å; V126-L181 HydrophobicContact CG1-CD1 3.49Å; V126-L181 VanDerWaalsContact CG1-CD1 3.49Å; V126-L181 HydrophobicContact CG1-CG 3.96Å; V126-L253 HydrophobicContact CG2-CD2 3.85Å; V126-V256 HydrophobicContact CG2-CG2 4.36Å
127	L	98.8	Very high	97.2	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	132.1	177.9	177.1	65.2	0	0	0	111	I110 F125 S129 C162 E163 L166 I179 L181	I110-L127 HydrophobicContact CD1-CD1 3.97Å; F125-L127 HydrophobicContact CD1-CB 4.32Å; F125-L127 HydrophobicContact CE1-CB 3.89Å; F125-L127 HydrophobicContact CE1-CD1 4.29Å; L127-S129 PolarHBondContact O-N 3.46Å; L127-C162 HydrophobicContact CD1-CB 4.32Å; L127-C162 HydrophobicContact CD2-CB 3.85Å; L127-E163 HydrophobicContact CD2-CG 4.02Å; L127-L166 HydrophobicContact CB-CD1 3.76Å; L127-L166 HydrophobicContact CD1-CD1 4.44Å; L127-L166 HydrophobicContact CD2-CD1 3.53Å; L127-L166 HydrophobicContact CG-CD1 4.08Å; L127-I179 PolarHBondContact N-O 3.26Å; L127-L181 PolarHBondContact O-N 2.82Å
128	S	98.5	Very high	96.9	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	93.2	161.1	-59.9	0	0	0	0	111.6	H85 F86 K159 Y183	H85-S128 WeakPolarHBondContact O-CB 3.47Å; H85-S128 PolarHBondContact O-N 3.11Å; H85-S128 PolarHBondContact O-OG 3Å; F86-S128 WeakPolarHBondContact CD1-OG 3.34Å; F86-S128 VanDerWaalsContact CE1-OG 3.3Å; F86-S128 WeakPolarHBondContact CE1-OG 3.39Å; S128-K159 WeakPolarHBondContact O-CE 3.29Å; S128-K159 PolarHBondContact O-NZ 3.46Å; S128-Y183 WeakPolarHBondContact CA-OH 3.35Å; S128-Y183 VanDerWaalsContact CB-CE2 3.48Å; S128-Y183 VanDerWaalsContact CB-OH 3.3Å; S128-Y183 WeakPolarHBondContact CB-OH 3.34Å; S128-Y183 PolarHBondContact OG-OH 2.97Å
129	S	98.4	Very high	96.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.007	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-168.4	171.3	-166.8	0	0	0	0	110.8	L127 E163 S180 L181 Y183	L127-S129 PolarHBondContact O-N 3.46Å; S129-E163 VanDerWaalsContact CB-OE1 3.23Å; S129-E163 WeakPolarHBondContact CB-OE1 3.26Å; S129-E163 PolarHBondContact OG-OE1 3.39Å; S129-S180 WeakPolarHBondContact CB-OG 3.35Å; S129-L181 CarbonylContact C-O 3.56Å; S129-L181 VanDerWaalsContact C-O 3.25Å; S129-L181 VanDerWaalsContact CA-O 3.23Å; S129-L181 WeakPolarHBondContact CA-O 3.33Å; S129-L181 WeakPolarHBondContact CB-O 3.48Å; S129-L181 PolarHBondContact N-O 2.96Å; S129-Y183 PolarHBondContact O-N 2.92Å
130	S	97.5	Very high	96.5	Very high	12 Å²	12	38.4 Å²	38.4	8%	0.084	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	150.7	-173	-173.3	0	0	0	0	112.1	T132 V133 Y155	S130-T132 WeakPolarHBondContact CB-OG1 3.4Å; S130-T132 PolarHBondContact O-N 3.28Å; S130-T132 PolarHBondContact OG-N 3.48Å; S130-T132 PolarHBondContact OG-OG1 3.34Å; S130-V133 WeakPolarHBondContact O-CG1 3.48Å; S130-V133 VanDerWaalsContact O-CG2 3.26Å; S130-V133 WeakPolarHBondContact O-CG2 3.32Å; S130-V133 PolarHBondContact O-N 3.42Å; S130-Y155 WeakPolarHBondContact CB-OH 3.33Å; S130-Y155 PolarHBondContact OG-OH 3.32Å
131	A	96.9	Very high	96.5	Very high	12 Å²	12	37.6 Å²	37.6	10%	0.099	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-58.1	-15.1	170.5	0	0	0	0	0	113.4	V133 Y134 Y183 F184	A131-V133 PolarHBondContact O-N 2.82Å; A131-Y134 HydrophobicContact CB-CD2 4.32Å; A131-Y134 WeakPolarHBondContact O-CB 3.4Å; A131-Y134 VanDerWaalsContact O-CD2 3.29Å; A131-Y134 WeakPolarHBondContact O-CD2 3.12Å; A131-Y134 PolarHBondContact O-N 3.37Å; A131-Y183 PolarHBondContact N-O 3.47Å; A131-F184 HydrophobicContact CB-CD1 3.98Å; A131-F184 HydrophobicContact CB-CD2 4.18Å; A131-F184 HydrophobicContact CB-CE1 3.93Å; A131-F184 HydrophobicContact CB-CE2 4.06Å; A131-F184 HydrophobicContact CB-CG 4.11Å; A131-F184 HydrophobicContact CB-CZ 3.95Å
132	T	95.3	Very high	96.4	Very high	34 Å²	34	32.1 Å²	32.1	21%	0.209	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-64.4	-18	175.3	57.5	0	0	0	0	113.9	V92 S130 Y134 G135 Y155 G156	V92-T132 HydrophobicContact CG2-CG2 4.31Å; S130-T132 WeakPolarHBondContact CB-OG1 3.4Å; S130-T132 PolarHBondContact O-N 3.28Å; S130-T132 PolarHBondContact OG-N 3.48Å; S130-T132 PolarHBondContact OG-OG1 3.34Å; T132-Y134 PolarHBondContact O-N 2.83Å; T132-G135 PolarHBondContact O-N 3.39Å; T132-Y155 HydrophobicContact CG2-CD1 4.1Å; T132-Y155 HydrophobicContact CG2-CE1 3.87Å; T132-G156 WeakPolarHBondContact OG1-CA 3.38Å
133	V	97.4	Very high	96.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-68.7	-18.2	175.9	-55.1	0	0	0	0	113.1	S130 A131 G135 I148 G149 K159 L160 R182	S130-V133 WeakPolarHBondContact O-CG1 3.48Å; S130-V133 VanDerWaalsContact O-CG2 3.26Å; S130-V133 WeakPolarHBondContact O-CG2 3.32Å; S130-V133 PolarHBondContact O-N 3.42Å; A131-V133 PolarHBondContact O-N 2.82Å; V133-G135 VanDerWaalsContact C-N 3.27Å; V133-I148 HydrophobicContact CG2-CG2 4.07Å; V133-I148 WeakPolarHBondContact O-CA 3.3Å; V133-I148 WeakPolarHBondContact O-CB 2.89Å; V133-G149 PolarHBondContact O-N 3.45Å; V133-K159 HydrophobicContact CG1-CB 3.76Å; V133-L160 HydrophobicContact CB-CB 4.49Å; V133-L160 HydrophobicContact CG1-CB 4.24Å; V133-R182 HydrophobicContact CG2-CG 4.24Å
134	Y	96.4	Very high	96.4	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.016	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-77.5	-12.8	175.6	-64.6	-65.9	0	0	0	113.1	A131 T132 E136 L142 T143 H146 I148 R182 N266	A131-Y134 HydrophobicContact CB-CD2 4.32Å; A131-Y134 WeakPolarHBondContact O-CB 3.4Å; A131-Y134 VanDerWaalsContact O-CD2 3.29Å; A131-Y134 WeakPolarHBondContact O-CD2 3.12Å; A131-Y134 PolarHBondContact O-N 3.37Å; T132-Y134 PolarHBondContact O-N 2.83Å; Y134-E136 PolarHBondContact O-N 3.4Å; Y134-L142 HydrophobicContact CD1-CD2 4.49Å; Y134-L142 HydrophobicContact CD2-CD1 3.64Å; Y134-L142 HydrophobicContact CD2-CG 4.48Å; Y134-L142 HydrophobicContact CE2-CB 4.44Å; Y134-L142 HydrophobicContact CE2-CD1 4.27Å; Y134-L142 HydrophobicContact CG-CD1 4Å; Y134-L142 HydrophobicContact CG-CD2 4.21Å; Y134-T143 PolarHBondContact OH-O 3.48Å; Y134-H146 HydrophobicContact CD1-CB 3.86Å; Y134-H146 AromaticContact CD1-ND1 3.76Å; Y134-H146 HydrophobicContact CE1-CB 3.83Å; Y134-I148 HydrophobicContact CD1-CG2 3.98Å; Y134-I148 HydrophobicContact CE1-CG2 4.05Å; Y134-R182 VanDerWaalsContact CE1-NH1 3.27Å; Y134-R182 VanDerWaalsContact CZ-NH1 3.28Å; Y134-R182 VanDerWaalsContact OH-CD 3.26Å; Y134-R182 WeakPolarHBondContact OH-CD 3.37Å; Y134-R182 PolarHBondContact OH-NH1 2.89Å; Y134-N266 WeakPolarHBondContact CE2-OD1 3.46Å; Y134-N266 VanDerWaalsContact OH-CG 3.23Å; Y134-N266 PolarHBondContact OH-ND2 3.1Å; Y134-N266 VanDerWaalsContact OH-ND2 3.14Å; Y134-N266 PolarHBondContact OH-OD1 3.4Å
135	G	93.1	Very high	96.3	Very high	13 Å²	13	40.5 Å²	40.5	13%	0.134	21%	0.205	C	C	.	.			trans	61	-134.5	-176	0	0	0	0	0	111.8	T132 V133 P137	T132-G135 PolarHBondContact O-N 3.39Å; V133-G135 VanDerWaalsContact C-N 3.27Å; G135-P137 WeakPolarHBondContact O-CD 3.3Å
136	E	90.4	Very high	96.3	Very high	129 Å²	129	40.7 Å²	40.7	60%	0.603	21%	0.206	S	C	*	.	S	Bend	trans	-79.1	119.4	171.2	-173.9	172	-168.6	0	0	109.9	Y134 Q138	Y134-E136 PolarHBondContact O-N 3.4Å; E136-Q138 PolarHBondContact O-N 3.42Å
137	P	92	Very high	96.1	Very high	29 Å²	29	43.6 Å²	43.6	19%	0.188	23%	0.225	C	C	.	.			trans	-58.8	132.3	-180	-26.1	35.4	0	0	0	112.9	G135 L140 L142 V305	G135-P137 WeakPolarHBondContact O-CD 3.3Å; P137-L140 HydrophobicContact CB-CD2 4Å; P137-L140 HydrophobicContact CB-CG 4.33Å; P137-L140 HydrophobicContact CG-CD2 4.34Å; P137-L142 HydrophobicContact CB-CD2 3.99Å; P137-L142 HydrophobicContact CG-CD2 4.34Å; P137-V305 HydrophobicContact CG-CG2 4.12Å
138	Q	92.9	Very high	96	Very high	146 Å²	146	46.9 Å²	46.9	68%	0.682	24%	0.242	S	C	*	.	S	Bend	trans	-89.7	-29.2	171.9	-60.1	-179.7	16.4	0	0	111.7	E136 H146	E136-Q138 PolarHBondContact O-N 3.42Å; Q138-H146 PolarHBondContact N-CE1 3.41Å; Q138-H146 PolarHBondContact N-NE2 2.88Å
139	F	94.6	Very high	95.8	Very high	89 Å²	89	47.4 Å²	47.4	39%	0.39	25%	0.249	S	C	.	.	S	Bend	trans	-147.5	158.9	171.9	62.6	-95.7	0	0	0	110.6	P141 T143 H146	F139-P141 WeakPolarHBondContact CD2-O 3.43Å; F139-T143 HydrophobicContact CE2-CG2 4.37Å; F139-H146 AromaticContact CD1-CD2 3.52Å; F139-H146 AromaticContact CD2-CD2 3.96Å; F139-H146 HydrophobicContact CE1-CB 4.09Å; F139-H146 AromaticContact CE1-CD2 3.33Å; F139-H146 WeakPolarHBondContact CE1-CD2 3.2Å; F139-H146 AromaticContact CE1-CG 3.89Å; F139-H146 HydrophobicContact CE2-CB 4.25Å; F139-H146 AromaticContact CE2-CD2 3.79Å; F139-H146 AromaticContact CG-CD2 3.85Å; F139-H146 HydrophobicContact CZ-CB 3.63Å; F139-H146 AromaticContact CZ-CD2 3.48Å; F139-H146 VanDerWaalsContact CZ-CD2 3.48Å; F139-H146 WeakPolarHBondContact CZ-CD2 3.48Å; F139-H146 AromaticContact CZ-CG 3.86Å; F139-H146 PolarHBondContact N-NE2 3.42Å
140	L	94.8	Very high	95.4	Very high	64 Å²	64	53.1 Å²	53.1	34%	0.335	28%	0.279	S	S	.	.	S	Bend	trans	-131.2	147.5	175.9	-67.5	171	0	0	0	109.5	P137 L142 T304 Y306	P137-L140 HydrophobicContact CB-CD2 4Å; P137-L140 HydrophobicContact CB-CG 4.33Å; P137-L140 HydrophobicContact CG-CD2 4.34Å; L140-L142 HydrophobicContact CD2-CD2 4.38Å; L140-L142 HydrophobicContact CD2-CG 3.96Å; L140-T304 HydrophobicContact CD1-CG2 3.77Å; L140-Y306 HydrophobicContact CB-CE1 3.76Å; L140-Y306 HydrophobicContact CD1-CD1 4.34Å; L140-Y306 HydrophobicContact CD1-CE1 3.88Å; L140-Y306 HydrophobicContact CD2-CD1 4.34Å; L140-Y306 HydrophobicContact CD2-CE1 4.36Å; L140-Y306 HydrophobicContact CG-CE1 4.23Å
141	P	97.4	Very high	95.2	Very high	47 Å²	47	53.2 Å²	53.2	31%	0.305	28%	0.279	S	S	.	.	S	Bend	cis	-63.1	155.5	-7	25.5	-33.9	0	0	0	113.5	F139 T143 Y306 S307 D308	F139-P141 WeakPolarHBondContact CD2-O 3.43Å; P141-T143 PolarHBondContact O-N 2.92Å; P141-Y306 HydrophobicContact CB-CD2 3.79Å; P141-Y306 HydrophobicContact CB-CE2 3.5Å; P141-Y306 HydrophobicContact CG-CE2 4.26Å; P141-S307 WeakPolarHBondContact CB-O 3.46Å; P141-D308 HydrophobicContact CB-CB 3.89Å; P141-D308 HydrophobicContact CG-CB 3.93Å
142	L	97.9	Very high	94.8	Very high	1 Å²	1	56.8 Å²	56.8	1%	0.005	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-72.5	116.8	175.3	-70.2	176.4	0	0	0	110.2	Y134 P137 L140 H146 F184 N266 V305 Y306 D308	Y134-L142 HydrophobicContact CD1-CD2 4.49Å; Y134-L142 HydrophobicContact CD2-CD1 3.64Å; Y134-L142 HydrophobicContact CD2-CG 4.48Å; Y134-L142 HydrophobicContact CE2-CB 4.44Å; Y134-L142 HydrophobicContact CE2-CD1 4.27Å; Y134-L142 HydrophobicContact CG-CD1 4Å; Y134-L142 HydrophobicContact CG-CD2 4.21Å; P137-L142 HydrophobicContact CB-CD2 3.99Å; P137-L142 HydrophobicContact CG-CD2 4.34Å; L140-L142 HydrophobicContact CD2-CD2 4.38Å; L140-L142 HydrophobicContact CD2-CG 3.96Å; L142-H146 HydrophobicContact CD2-CB 4.32Å; L142-H146 WeakPolarHBondContact CD2-CD2 3.4Å; L142-F184 HydrophobicContact CB-CZ 4.06Å; L142-F184 HydrophobicContact CD1-CE1 3.96Å; L142-F184 HydrophobicContact CD1-CZ 3.99Å; L142-N266 PolarHBondContact O-ND2 2.86Å; L142-V305 HydrophobicContact CD1-CG1 3.73Å; L142-Y306 PolarHBondContact N-O 3.42Å; L142-D308 PolarHBondContact O-N 3.49Å
143	T	98.3	Very high	94.7	Very high	33 Å²	33	56 Å²	56	20%	0.202	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-98.7	164.3	170.1	67.2	0	0	0	0	110.2	Y134 F139 P141 K145 H146 D308	Y134-T143 PolarHBondContact OH-O 3.48Å; F139-T143 HydrophobicContact CE2-CG2 4.37Å; P141-T143 PolarHBondContact O-N 2.92Å; T143-K145 PolarHBondContact O-N 3.21Å; T143-K145 VanDerWaalsContact O-N 3.15Å; T143-K145 PolarHBondContact OG1-N 3.17Å; T143-H146 WeakPolarHBondContact O-CB 3.35Å; T143-H146 PolarHBondContact O-N 3.01Å; T143-D308 HydrophobicContact CG2-CB 3.88Å
144	E	98	Very high	94.6	Very high	36 Å²	36	56.7 Å²	56.7	17%	0.168	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.2	175.9	-60.9	85.9	170.2	0	0	113.2	H146 V264 Y265 N266 L311	E144-H146 VanDerWaalsContact C-N 3.33Å; E144-V264 HydrophobicContact CG-CG1 4.44Å; E144-Y265 WeakPolarHBondContact OE1-CA 3.42Å; E144-N266 PolarHBondContact N-ND2 3.33Å; E144-N266 PolarHBondContact OE1-N 3.2Å; E144-L311 HydrophobicContact CB-CD2 4.29Å; E144-L311 HydrophobicContact CG-CD2 4.04Å
145	K	97.1	Very high	94.7	Very high	194 Å²	194	57.6 Å²	57.6	84%	0.843	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-10.2	172	-64.6	-179.8	-179.2	174.4	0	113.2	T143	T143-K145 PolarHBondContact O-N 3.21Å; T143-K145 VanDerWaalsContact O-N 3.15Å; T143-K145 PolarHBondContact OG1-N 3.17Å
146	H	97	Very high	94.8	Very high	5 Å²	5	57 Å²	57	2%	0.023	29%	0.291	C	S	.	.	S	Bend	trans	-60.4	139.4	176.3	-170.1	-73.1	0	0	0	109.9	Y134 Q138 F139 L142 T143 E144 I148	Y134-H146 HydrophobicContact CD1-CB 3.86Å; Y134-H146 AromaticContact CD1-ND1 3.76Å; Y134-H146 HydrophobicContact CE1-CB 3.83Å; Q138-H146 PolarHBondContact N-CE1 3.41Å; Q138-H146 PolarHBondContact N-NE2 2.88Å; F139-H146 AromaticContact CD1-CD2 3.52Å; F139-H146 AromaticContact CD2-CD2 3.96Å; F139-H146 HydrophobicContact CE1-CB 4.09Å; F139-H146 AromaticContact CE1-CD2 3.33Å; F139-H146 WeakPolarHBondContact CE1-CD2 3.2Å; F139-H146 AromaticContact CE1-CG 3.89Å; F139-H146 HydrophobicContact CE2-CB 4.25Å; F139-H146 AromaticContact CE2-CD2 3.79Å; F139-H146 AromaticContact CG-CD2 3.85Å; F139-H146 HydrophobicContact CZ-CB 3.63Å; F139-H146 AromaticContact CZ-CD2 3.48Å; F139-H146 VanDerWaalsContact CZ-CD2 3.48Å; F139-H146 WeakPolarHBondContact CZ-CD2 3.48Å; F139-H146 AromaticContact CZ-CG 3.86Å; F139-H146 PolarHBondContact N-NE2 3.42Å; L142-H146 HydrophobicContact CD2-CB 4.32Å; L142-H146 WeakPolarHBondContact CD2-CD2 3.4Å; T143-H146 WeakPolarHBondContact O-CB 3.35Å; T143-H146 PolarHBondContact O-N 3.01Å; E144-H146 VanDerWaalsContact C-N 3.33Å; H146-I148 PolarHBondContact O-N 3.34Å
147	P	96.2	Very high	95.2	Very high	60 Å²	60	53.2 Å²	53.2	39%	0.39	28%	0.275	S	S	.	.			trans	-52.4	137.8	173.8	-27.3	35.6	0	0	0	111.8
148	I	96.6	Very high	95.5	Very high	70 Å²	70	51.9 Å²	51.9	36%	0.359	27%	0.266	S	S	.	.			trans	-106.4	156.9	171.6	62.3	-178.9	0	0	0	110	V133 Y134 H146 L160	V133-I148 HydrophobicContact CG2-CG2 4.07Å; V133-I148 WeakPolarHBondContact O-CA 3.3Å; V133-I148 WeakPolarHBondContact O-CB 2.89Å; Y134-I148 HydrophobicContact CD1-CG2 3.98Å; Y134-I148 HydrophobicContact CE1-CG2 4.05Å; H146-I148 PolarHBondContact O-N 3.34Å; I148-L160 HydrophobicContact CB-CD1 4.14Å; I148-L160 HydrophobicContact CD1-CD1 3.59Å; I148-L160 HydrophobicContact CG1-CD1 3.91Å
149	G	93.4	Very high	95.7	Very high	17 Å²	17	45.3 Å²	45.3	18%	0.175	24%	0.235	C	C	.	.			trans	116.2	-175	-174.8	0	0	0	0	0	112.7	V133 C151	V133-G149 PolarHBondContact O-N 3.45Å; G149-C151 PolarHBondContact O-N 3.41Å
150	N	89.7	Confident	95.9	Very high	121 Å²	121	42.1 Å²	42.1	65%	0.647	22%	0.222	S	C	*	.			trans	51	39.4	-175.8	-163.5	34	0	0	0	113.1	Q152	N150-Q152 PolarHBondContact O-N 3.13Å; N150-Q152 PolarHBondContact O-NE2 3.08Å
151	C	93.1	Very high	96.1	Very high	13 Å²	13	41 Å²	41	9%	0.088	22%	0.219	C	C	.	.			trans	-63.1	134.4	178.8	-52.4	0	0	0	0	109.6	G149 N153 G156 N157	G149-C151 PolarHBondContact O-N 3.41Å; C151-N153 PolarHBondContact O-N 2.93Å; C151-G156 VanDerWaalsContact SG-C 3.57Å; C151-N157 VanDerWaalsContact CB-OD1 3.32Å; C151-N157 WeakPolarHBondContact CB-OD1 3.42Å
152	Q	90.2	Very high	96.2	Very high	87 Å²	87	39 Å²	39	41%	0.407	21%	0.206	S	C	.	.	S	Bend	trans	-80.6	2.8	-174.2	-59.5	-60	-53	0	0	114	N150	N150-Q152 PolarHBondContact O-N 3.13Å; N150-Q152 PolarHBondContact O-NE2 3.08Å
153	N	93.2	Very high	96.2	Very high	17 Å²	17	39.2 Å²	39.2	9%	0.091	21%	0.207	C	C	.	.	S	Bend	trans	-160.6	160.8	-175.1	57.9	79.9	0	0	0	111.9	V92 T96 C151 Y155 G156 N157	V92-N153 HydrophobicContact CG1-CB 4.09Å; V92-N153 WeakPolarHBondContact CG1-ND2 3.27Å; T96-N153 HydrophobicContact CG2-CB 3.83Å; C151-N153 PolarHBondContact O-N 2.93Å; N153-Y155 VanDerWaalsContact C-N 3.32Å; N153-Y155 PolarHBondContact O-N 3.32Å; N153-Y155 WeakPolarHBondContact OD1-CB 3.44Å; N153-Y155 PolarHBondContact OD1-N 3.03Å; N153-G156 PolarHBondContact O-N 3.31Å; N153-G156 PolarHBondContact OD1-N 3.26Å; N153-N157 PolarHBondContact O-N 3.46Å; N153-N157 VanDerWaalsContact O-N 3.11Å; N153-N157 PolarHBondContact O-ND2 3.45Å
154	S	95.4	Very high	96.2	Very high	15 Å²	15	41.4 Å²	41.4	11%	0.105	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-34.8	-177.7	-42.4	0	0	0	0	112.6	S95 P99 N157 T158	S95-S154 VanDerWaalsContact O-CB 3.26Å; S95-S154 WeakPolarHBondContact O-CB 3.21Å; S95-S154 PolarHBondContact O-OG 2.9Å; P99-S154 WeakPolarHBondContact CB-OG 3.36Å; S154-N157 PolarHBondContact O-N 2.8Å; S154-T158 VanDerWaalsContact O-CG2 3.31Å; S154-T158 WeakPolarHBondContact O-CG2 3.48Å; S154-T158 PolarHBondContact O-N 2.74Å
155	Y	96.5	Very high	96.2	Very high	24 Å²	24	41.9 Å²	41.9	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-51.4	175.1	163.9	-104.9	0	0	0	111.6	L89 K90 V92 S95 Y102 S130 T132 N153 N157 T158 K159	L89-Y155 VanDerWaalsContact O-CD2 3.3Å; L89-Y155 WeakPolarHBondContact O-CD2 3.42Å; K90-Y155 HydrophobicContact CB-CE2 4.12Å; V92-Y155 HydrophobicContact CG2-CD1 3.78Å; V92-Y155 HydrophobicContact CG2-CE1 4.43Å; S95-Y155 PolarHBondContact OG-N 2.86Å; S95-Y155 VanDerWaalsContact OG-N 3.11Å; Y102-Y155 HydrophobicContact CE1-CD2 4.46Å; S130-Y155 WeakPolarHBondContact CB-OH 3.33Å; S130-Y155 PolarHBondContact OG-OH 3.32Å; T132-Y155 HydrophobicContact CG2-CD1 4.1Å; T132-Y155 HydrophobicContact CG2-CE1 3.87Å; N153-Y155 VanDerWaalsContact C-N 3.32Å; N153-Y155 PolarHBondContact O-N 3.32Å; N153-Y155 WeakPolarHBondContact OD1-CB 3.44Å; N153-Y155 PolarHBondContact OD1-N 3.03Å; Y155-N157 VanDerWaalsContact C-N 3.32Å; Y155-N157 PolarHBondContact O-N 3.26Å; Y155-T158 PolarHBondContact O-N 3.06Å; Y155-T158 VanDerWaalsContact O-N 3.12Å; Y155-T158 PolarHBondContact O-OG1 2.92Å; Y155-K159 HydrophobicContact CD2-CG 4.44Å; Y155-K159 HydrophobicContact CE2-CD 4.29Å; Y155-K159 VanDerWaalsContact CE2-CE 3.45Å; Y155-K159 HydrophobicContact CE2-CG 3.91Å; Y155-K159 PolarHBondContact O-N 3.48Å; Y155-K159 VanDerWaalsContact O-N 3.09Å
156	G	96.6	Very high	96.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-60.4	-40.3	176.7	0	0	0	0	0	112.6	T132 C151 N153 T158 K159 L160	T132-G156 WeakPolarHBondContact OG1-CA 3.38Å; C151-G156 VanDerWaalsContact SG-C 3.57Å; N153-G156 PolarHBondContact O-N 3.31Å; N153-G156 PolarHBondContact OD1-N 3.26Å; G156-T158 PolarHBondContact O-N 3.03Å; G156-K159 PolarHBondContact O-N 3.3Å; G156-L160 PolarHBondContact O-N 2.77Å
157	N	97.7	Very high	96.4	Very high	50 Å²	50	37.7 Å²	37.7	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-61.7	-41.3	173.4	-76.6	-36.9	0	0	0	112.3	Y103 C151 N153 S154 Y155 K159 L160 C161	Y103-N157 HydrophobicContact CE1-CB 4.2Å; Y103-N157 WeakPolarHBondContact OH-CB 3.49Å; Y103-N157 PolarHBondContact OH-ND2 3.2Å; C151-N157 VanDerWaalsContact CB-OD1 3.32Å; C151-N157 WeakPolarHBondContact CB-OD1 3.42Å; N153-N157 PolarHBondContact O-N 3.46Å; N153-N157 VanDerWaalsContact O-N 3.11Å; N153-N157 PolarHBondContact O-ND2 3.45Å; S154-N157 PolarHBondContact O-N 2.8Å; Y155-N157 VanDerWaalsContact C-N 3.32Å; Y155-N157 PolarHBondContact O-N 3.26Å; N157-K159 PolarHBondContact O-N 3.07Å; N157-L160 PolarHBondContact O-N 3.16Å; N157-C161 WeakPolarHBondContact O-CB 3.36Å; N157-C161 PolarHBondContact O-N 2.91Å; N157-C161 PolarHBondContact O-SG 3.33Å
158	T	98.5	Very high	96.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-41.8	177.2	62	0	0	0	0	112.1	Y103 N106 L107 S154 Y155 G156 C161 C162	Y103-T158 HydrophobicContact CD1-CG2 3.52Å; Y103-T158 HydrophobicContact CE1-CG2 3.84Å; Y103-T158 HydrophobicContact CG-CG2 4.04Å; N106-T158 HydrophobicContact CB-CG2 4.08Å; N106-T158 PolarHBondContact ND2-OG1 3.26Å; L107-T158 HydrophobicContact CG-CG2 4.42Å; S154-T158 VanDerWaalsContact O-CG2 3.31Å; S154-T158 WeakPolarHBondContact O-CG2 3.48Å; S154-T158 PolarHBondContact O-N 2.74Å; Y155-T158 PolarHBondContact O-N 3.06Å; Y155-T158 VanDerWaalsContact O-N 3.12Å; Y155-T158 PolarHBondContact O-OG1 2.92Å; G156-T158 PolarHBondContact O-N 3.03Å; T158-C161 PolarHBondContact O-N 3.4Å; T158-C162 PolarHBondContact O-N 2.7Å; T158-C162 PolarHBondContact O-SG 2.9Å
159	K	98.5	Very high	96.6	Very high	9 Å²	9	37.8 Å²	37.8	4%	0.039	20%	0.199	C	C	.	.	H	α-helix	trans	-64	-41.8	176.7	-66.7	-58.4	-172.9	177.6	0	112	S128 V133 Y155 G156 N157 C162 E163	S128-K159 WeakPolarHBondContact O-CE 3.29Å; S128-K159 PolarHBondContact O-NZ 3.46Å; V133-K159 HydrophobicContact CG1-CB 3.76Å; Y155-K159 HydrophobicContact CD2-CG 4.44Å; Y155-K159 HydrophobicContact CE2-CD 4.29Å; Y155-K159 VanDerWaalsContact CE2-CE 3.45Å; Y155-K159 HydrophobicContact CE2-CG 3.91Å; Y155-K159 PolarHBondContact O-N 3.48Å; Y155-K159 VanDerWaalsContact O-N 3.09Å; G156-K159 PolarHBondContact O-N 3.3Å; N157-K159 PolarHBondContact O-N 3.07Å; K159-C162 WeakPolarHBondContact O-CB 3.4Å; K159-C162 PolarHBondContact O-N 3.02Å; K159-E163 PolarHBondContact O-N 3.09Å; K159-E163 VanDerWaalsContact O-N 3.08Å
160	L	98.4	Very high	96.9	Very high	21 Å²	21	40.4 Å²	40.4	11%	0.11	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-47.1	173.9	177.5	61.5	0	0	0	111.6	V133 I148 G156 N157 C162 E163 L164	V133-L160 HydrophobicContact CB-CB 4.49Å; V133-L160 HydrophobicContact CG1-CB 4.24Å; I148-L160 HydrophobicContact CB-CD1 4.14Å; I148-L160 HydrophobicContact CD1-CD1 3.59Å; I148-L160 HydrophobicContact CG1-CD1 3.91Å; G156-L160 PolarHBondContact O-N 2.77Å; N157-L160 PolarHBondContact O-N 3.16Å; L160-C162 VanDerWaalsContact C-N 3.33Å; L160-C162 PolarHBondContact O-N 3Å; L160-E163 WeakPolarHBondContact O-CB 3.35Å; L160-E163 PolarHBondContact O-N 3.16Å; L160-E163 VanDerWaalsContact O-N 3.13Å; L160-L164 HydrophobicContact CD1-CG 4.48Å; L160-L164 HydrophobicContact CG-CD1 4.33Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 2.78Å
161	C	98.5	Very high	97.3	Very high	42 Å²	42	39.3 Å²	39.3	28%	0.284	20%	0.202	S	C	.	.	H	α-helix	trans	-59.9	-41.1	176.5	-70.8	0	0	0	0	112.1	L107 N157 T158 E163 L164 I165	L107-C161 HydrophobicContact CD1-CB 4.15Å; L107-C161 HydrophobicContact CD2-CB 3.7Å; N157-C161 WeakPolarHBondContact O-CB 3.36Å; N157-C161 PolarHBondContact O-N 2.91Å; N157-C161 PolarHBondContact O-SG 3.33Å; T158-C161 PolarHBondContact O-N 3.4Å; C161-E163 VanDerWaalsContact C-N 3.33Å; C161-E163 PolarHBondContact O-N 3.12Å; C161-L164 PolarHBondContact O-N 2.89Å; C161-I165 VanDerWaalsContact O-CG1 3.27Å; C161-I165 WeakPolarHBondContact O-CG1 3.23Å; C161-I165 PolarHBondContact O-N 3.44Å
162	C	98.7	Very high	97.5	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.02	23%	0.23	C	C	.	.	H	α-helix	trans	-57.9	-44.5	173.4	-65.4	0	0	0	0	111.5	I110 L127 T158 K159 L160 L164 I165 L166	I110-C162 HydrophobicContact CD1-CB 4.08Å; L127-C162 HydrophobicContact CD1-CB 4.32Å; L127-C162 HydrophobicContact CD2-CB 3.85Å; T158-C162 PolarHBondContact O-N 2.7Å; T158-C162 PolarHBondContact O-SG 2.9Å; K159-C162 WeakPolarHBondContact O-CB 3.4Å; K159-C162 PolarHBondContact O-N 3.02Å; L160-C162 VanDerWaalsContact C-N 3.33Å; L160-C162 PolarHBondContact O-N 3Å; C162-L164 PolarHBondContact O-N 2.88Å; C162-I165 PolarHBondContact O-N 2.78Å; C162-L166 WeakPolarHBondContact O-CB 3.31Å; C162-L166 VanDerWaalsContact O-CG 3.27Å; C162-L166 WeakPolarHBondContact O-CG 3.39Å; C162-L166 PolarHBondContact O-N 2.9Å
163	E	98.7	Very high	97.9	Very high	6 Å²	6	41.2 Å²	41.2	3%	0.028	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-40.5	176.8	-70.6	-166.9	176.9	0	0	112.6	L127 S129 K159 L160 C161 L166 K167 S180 R182	L127-E163 HydrophobicContact CD2-CG 4.02Å; S129-E163 VanDerWaalsContact CB-OE1 3.23Å; S129-E163 WeakPolarHBondContact CB-OE1 3.26Å; S129-E163 PolarHBondContact OG-OE1 3.39Å; K159-E163 PolarHBondContact O-N 3.09Å; K159-E163 VanDerWaalsContact O-N 3.08Å; L160-E163 WeakPolarHBondContact O-CB 3.35Å; L160-E163 PolarHBondContact O-N 3.16Å; L160-E163 VanDerWaalsContact O-N 3.13Å; C161-E163 VanDerWaalsContact C-N 3.33Å; C161-E163 PolarHBondContact O-N 3.12Å; E163-L166 PolarHBondContact O-N 3.44Å; E163-K167 WeakPolarHBondContact O-CB 3.25Å; E163-K167 PolarHBondContact O-N 3.19Å; E163-S180 WeakPolarHBondContact CG-OG 3.35Å; E163-S180 PolarHBondContact OE1-OG 2.84Å; E163-R182 WeakPolarHBondContact OE1-CG 3.43Å; E163-R182 IonicContact OE1-CZ 3.75Å; E163-R182 IonicContact OE1-NE 2.89Å; E163-R182 PolarHBondContact OE1-NE 2.91Å; E163-R182 IonicContact OE1-NH2 3.1Å; E163-R182 IonicContact OE2-CZ 2.96Å; E163-R182 IonicContact OE2-NE 3.79Å; E163-R182 PolarHBondContact OE2-NE 2.8Å; E163-R182 IonicContact OE2-NH2 2.92Å; E163-R182 PolarHBondContact OE2-NH2 3.21Å
164	L	98.4	Very high	98.1	Very high	79 Å²	79	44.6 Å²	44.6	41%	0.414	25%	0.245	S	C	.	.	H	α-helix	trans	-65	-47	177	-66.1	174.7	0	0	0	111.7	L160 C161 C162 L166 K167 D168	L160-L164 HydrophobicContact CD1-CG 4.48Å; L160-L164 HydrophobicContact CG-CD1 4.33Å; L160-L164 WeakPolarHBondContact O-CG 3.49Å; L160-L164 PolarHBondContact O-N 2.78Å; C161-L164 PolarHBondContact O-N 2.89Å; C162-L164 PolarHBondContact O-N 2.88Å; L164-L166 VanDerWaalsContact C-N 3.3Å; L164-L166 PolarHBondContact O-N 2.76Å; L164-K167 PolarHBondContact O-N 2.96Å; L164-D168 PolarHBondContact O-N 3.42Å
165	I	98.7	Very high	98.2	Very high	46 Å²	46	47.7 Å²	47.7	24%	0.236	26%	0.264	C	S	.	.	H	α-helix	trans	-55.4	-47.2	176.1	-70.7	163.6	0	0	0	110.7	L111 L114 C161 C162 D168 L169	L111-I165 HydrophobicContact CD2-CD1 4.22Å; L111-I165 HydrophobicContact CD2-CG2 4.16Å; L114-I165 HydrophobicContact CD1-CG2 3.9Å; C161-I165 VanDerWaalsContact O-CG1 3.27Å; C161-I165 WeakPolarHBondContact O-CG1 3.23Å; C161-I165 PolarHBondContact O-N 3.44Å; C162-I165 PolarHBondContact O-N 2.78Å; I165-D168 PolarHBondContact O-N 3.49Å; I165-L169 WeakPolarHBondContact O-CB 3.09Å; I165-L169 PolarHBondContact O-N 2.91Å
166	L	98.8	Very high	98.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68	-35.6	-179.5	-72.6	173.8	0	0	0	113	I110 L114 F125 L127 C162 E163 L164 Y170 I178 F262	I110-L166 HydrophobicContact CD1-CD1 4.48Å; L114-L166 HydrophobicContact CD1-CD2 3.89Å; L114-L166 HydrophobicContact CD2-CD2 3.85Å; L114-L166 HydrophobicContact CG-CD2 4.5Å; F125-L166 HydrophobicContact CD1-CD1 4.05Å; F125-L166 HydrophobicContact CD1-CD2 3.89Å; F125-L166 HydrophobicContact CE1-CD1 3.84Å; F125-L166 HydrophobicContact CE1-CD2 3.94Å; L127-L166 HydrophobicContact CB-CD1 3.76Å; L127-L166 HydrophobicContact CD1-CD1 4.44Å; L127-L166 HydrophobicContact CD2-CD1 3.53Å; L127-L166 HydrophobicContact CG-CD1 4.08Å; C162-L166 WeakPolarHBondContact O-CB 3.31Å; C162-L166 VanDerWaalsContact O-CG 3.27Å; C162-L166 WeakPolarHBondContact O-CG 3.39Å; C162-L166 PolarHBondContact O-N 2.9Å; E163-L166 PolarHBondContact O-N 3.44Å; L164-L166 VanDerWaalsContact C-N 3.3Å; L164-L166 PolarHBondContact O-N 2.76Å; L166-Y170 PolarHBondContact O-N 3.37Å; L166-I178 HydrophobicContact CB-CD1 4.31Å; L166-I178 HydrophobicContact CB-CG2 4.11Å; L166-I178 HydrophobicContact CD1-CG2 4.01Å; L166-I178 HydrophobicContact CD2-CD1 4.13Å; L166-I178 HydrophobicContact CD2-CG2 4.33Å; L166-I178 HydrophobicContact CG-CG2 4.39Å; L166-I178 WeakPolarHBondContact O-CD1 3.45Å; L166-F262 HydrophobicContact CB-CE2 3.92Å
167	K	98.5	Very high	98.4	Very high	112 Å²	112	47.2 Å²	47.2	49%	0.487	26%	0.262	S	S	.	.	H	α-helix	trans	-65.8	-42.9	174.5	-176.8	-178.4	177.2	-175.4	0	111.2	E163 L164 Y170 T171 F262	E163-K167 WeakPolarHBondContact O-CB 3.25Å; E163-K167 PolarHBondContact O-N 3.19Å; L164-K167 PolarHBondContact O-N 2.96Å; K167-Y170 PolarHBondContact O-N 3.48Å; K167-T171 WeakPolarHBondContact O-CB 3.45Å; K167-T171 PolarHBondContact O-N 2.86Å; K167-T171 PolarHBondContact O-OG1 3.24Å; K167-F262 HydrophobicContact CB-CE1 4.35Å; K167-F262 HydrophobicContact CB-CE2 4.15Å; K167-F262 HydrophobicContact CB-CZ 4.03Å
168	D	98.6	Very high	98.5	Very high	107 Å²	107	44.8 Å²	44.8	57%	0.572	25%	0.249	S	C	*	.	H	α-helix	trans	-66.4	-40.5	177	-70.7	-15.8	0	0	0	110.9	L164 I165 T171 S172	L164-D168 PolarHBondContact O-N 3.42Å; I165-D168 PolarHBondContact O-N 3.49Å; D168-T171 PolarHBondContact O-N 2.92Å; D168-S172 PolarHBondContact O-N 3.33Å; D168-S172 PolarHBondContact O-OG 3.13Å
169	L	98.7	Very high	98.5	Very high	24 Å²	24	44.8 Å²	44.8	13%	0.126	25%	0.249	C	C	.	.	H	α-helix	trans	-55.7	-53.5	172.6	178.4	59.7	0	0	0	111.4	L114 I118 I165 T171 S172 D173 W176 I178	L114-L169 HydrophobicContact CD1-CD2 4.4Å; L114-L169 HydrophobicContact CD2-CD2 3.95Å; I118-L169 HydrophobicContact CD1-CD1 4.24Å; I165-L169 WeakPolarHBondContact O-CB 3.09Å; I165-L169 PolarHBondContact O-N 2.91Å; L169-T171 VanDerWaalsContact C-N 3.29Å; L169-T171 PolarHBondContact O-N 2.69Å; L169-S172 PolarHBondContact O-N 2.95Å; L169-S172 PolarHBondContact O-OG 3.08Å; L169-D173 PolarHBondContact O-N 3.37Å; L169-W176 HydrophobicContact CD1-CZ2 4.35Å; L169-W176 HydrophobicContact CD2-CD2 3.86Å; L169-W176 HydrophobicContact CD2-CE3 3.85Å; L169-W176 HydrophobicContact CD2-CH2 3.96Å; L169-W176 HydrophobicContact CD2-CZ2 3.99Å; L169-W176 HydrophobicContact CD2-CZ3 3.89Å; L169-W176 HydrophobicContact CG-CD2 4.09Å; L169-W176 HydrophobicContact CG-CG 4.34Å; L169-I178 HydrophobicContact CD2-CD1 4.39Å
170	Y	98.6	Very high	98.5	Very high	73 Å²	73	44.4 Å²	44.4	29%	0.286	25%	0.248	S	C	.	.	H	α-helix	trans	-59.6	-38.7	175.9	175.2	-107.1	0	0	0	113	L166 K167 S172 D173 P174 W176 F262	L166-Y170 PolarHBondContact O-N 3.37Å; K167-Y170 PolarHBondContact O-N 3.48Å; Y170-S172 VanDerWaalsContact C-N 3.31Å; Y170-S172 PolarHBondContact O-N 3.05Å; Y170-D173 CarbonylContact O-C 3.06Å; Y170-D173 PolarHBondContact O-N 2.94Å; Y170-P174 HydrophobicContact CE2-CB 4.25Å; Y170-P174 WeakPolarHBondContact CE2-O 3.41Å; Y170-P174 WeakPolarHBondContact O-CA 3.44Å; Y170-P174 VanDerWaalsContact O-N 3.14Å; Y170-W176 HydrophobicContact CD2-CB 4.31Å; Y170-W176 VanDerWaalsContact CD2-O 3.26Å; Y170-W176 WeakPolarHBondContact CD2-O 3.5Å; Y170-W176 WeakPolarHBondContact CE2-O 3.33Å; Y170-F262 HydrophobicContact CD1-CB 3.58Å; Y170-F262 HydrophobicContact CD2-CB 4.39Å; Y170-F262 HydrophobicContact CE1-CB 4.1Å; Y170-F262 HydrophobicContact CG-CB 3.74Å
171	T	98.4	Very high	98.5	Very high	97 Å²	97	43.4 Å²	43.4	60%	0.595	24%	0.242	S	C	*	.	H	α-helix	trans	-64.7	-38.5	178.5	-57.7	0	0	0	0	111	K167 D168 L169	K167-T171 WeakPolarHBondContact O-CB 3.45Å; K167-T171 PolarHBondContact O-N 2.86Å; K167-T171 PolarHBondContact O-OG1 3.24Å; D168-T171 PolarHBondContact O-N 2.92Å; L169-T171 VanDerWaalsContact C-N 3.29Å; L169-T171 PolarHBondContact O-N 2.69Å
172	S	98.3	Very high	98.5	Very high	97 Å²	97	41.9 Å²	41.9	68%	0.678	23%	0.231	S	C	*	.	H	α-helix	trans	-74.4	-31.7	176.2	71.7	0	0	0	0	113.7	D168 L169 Y170	D168-S172 PolarHBondContact O-N 3.33Å; D168-S172 PolarHBondContact O-OG 3.13Å; L169-S172 PolarHBondContact O-N 2.95Å; L169-S172 PolarHBondContact O-OG 3.08Å; Y170-S172 VanDerWaalsContact C-N 3.31Å; Y170-S172 PolarHBondContact O-N 3.05Å
173	D	98.3	Very high	98.5	Very high	43 Å²	43	42.3 Å²	42.3	23%	0.23	23%	0.232	C	C	.	.			trans	-139.2	92.6	178.6	180	3.2	0	0	0	110.3	K123 L169 Y170 T175 W176	K123-D173 IonicContact NZ-OD1 2.71Å; K123-D173 IonicContact NZ-OD2 3.23Å; K123-D173 PolarHBondContact NZ-OD2 3.36Å; L169-D173 PolarHBondContact O-N 3.37Å; Y170-D173 CarbonylContact O-C 3.06Å; Y170-D173 PolarHBondContact O-N 2.94Å; D173-T175 VanDerWaalsContact CG-OG1 3.27Å; D173-T175 PolarHBondContact O-N 3.41Å; D173-T175 WeakPolarHBondContact OD1-CB 3.45Å; D173-T175 PolarHBondContact OD1-N 3.01Å; D173-T175 VanDerWaalsContact OD1-N 3.1Å; D173-T175 PolarHBondContact OD1-OG1 3.33Å; D173-T175 PolarHBondContact OD2-OG1 3.22Å; D173-W176 VanDerWaalsContact CG-CD1 3.49Å; D173-W176 VanDerWaalsContact O-CD1 3.29Å; D173-W176 PolarHBondContact O-N 3.45Å; D173-W176 VanDerWaalsContact OD2-CD1 3.29Å; D173-W176 PolarHBondContact OD2-NE1 3.15Å
174	P	97.6	Very high	98.5	Very high	88 Å²	88	42.5 Å²	42.5	57%	0.571	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	0.5	-178.1	-23.9	35.2	0	0	0	115.1	Y170 W176	Y170-P174 HydrophobicContact CE2-CB 4.25Å; Y170-P174 WeakPolarHBondContact CE2-O 3.41Å; Y170-P174 WeakPolarHBondContact O-CA 3.44Å; Y170-P174 VanDerWaalsContact O-N 3.14Å; P174-W176 VanDerWaalsContact C-N 3.25Å
175	T	97.9	Very high	98.4	Very high	81 Å²	81	41 Å²	41	50%	0.497	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-5.3	174.1	69.4	0	0	0	0	113	K123 D173	K123-T175 VanDerWaalsContact CD-OG1 3.28Å; K123-T175 WeakPolarHBondContact CD-OG1 3.37Å; K123-T175 PolarHBondContact NZ-OG1 2.97Å; D173-T175 VanDerWaalsContact CG-OG1 3.27Å; D173-T175 PolarHBondContact O-N 3.41Å; D173-T175 WeakPolarHBondContact OD1-CB 3.45Å; D173-T175 PolarHBondContact OD1-N 3.01Å; D173-T175 VanDerWaalsContact OD1-N 3.1Å; D173-T175 PolarHBondContact OD1-OG1 3.33Å; D173-T175 PolarHBondContact OD2-OG1 3.22Å
176	W	98.6	Very high	98.4	Very high	3 Å²	3	40.2 Å²	40.2	1%	0.011	22%	0.223	C	C	.	.			trans	-74.5	140.9	172.1	-76	74.9	0	0	0	113	L114 M117 I118 V122 K123 L169 Y170 D173 P174 I178	L114-W176 HydrophobicContact CD2-CH2 4.41Å; L114-W176 HydrophobicContact CD2-CZ3 4.19Å; M117-W176 HydrophobicContact CB-CH2 3.91Å; M117-W176 HydrophobicContact CE-CH2 4.24Å; M117-W176 HydrophobicContact CE-CZ3 3.83Å; I118-W176 HydrophobicContact CG1-CH2 4.19Å; I118-W176 HydrophobicContact CG1-CZ2 3.57Å; V122-W176 VanDerWaalsContact O-CH2 3.3Å; V122-W176 WeakPolarHBondContact O-CH2 3.44Å; K123-W176 HydrophobicContact CB-CD2 4.01Å; K123-W176 HydrophobicContact CB-CE3 4.24Å; K123-W176 HydrophobicContact CB-CG 4.23Å; K123-W176 HydrophobicContact CD-CD2 4.5Å; K123-W176 HydrophobicContact CD-CG 4.33Å; K123-W176 HydrophobicContact CG-CD2 4.14Å; K123-W176 HydrophobicContact CG-CG 4.43Å; K123-W176 HydrophobicContact CG-CZ2 4.19Å; L169-W176 HydrophobicContact CD1-CZ2 4.35Å; L169-W176 HydrophobicContact CD2-CD2 3.86Å; L169-W176 HydrophobicContact CD2-CE3 3.85Å; L169-W176 HydrophobicContact CD2-CH2 3.96Å; L169-W176 HydrophobicContact CD2-CZ2 3.99Å; L169-W176 HydrophobicContact CD2-CZ3 3.89Å; L169-W176 HydrophobicContact CG-CD2 4.09Å; L169-W176 HydrophobicContact CG-CG 4.34Å; Y170-W176 HydrophobicContact CD2-CB 4.31Å; Y170-W176 VanDerWaalsContact CD2-O 3.26Å; Y170-W176 WeakPolarHBondContact CD2-O 3.5Å; Y170-W176 WeakPolarHBondContact CE2-O 3.33Å; D173-W176 VanDerWaalsContact CG-CD1 3.49Å; D173-W176 VanDerWaalsContact O-CD1 3.29Å; D173-W176 PolarHBondContact O-N 3.45Å; D173-W176 VanDerWaalsContact OD2-CD1 3.29Å; D173-W176 PolarHBondContact OD2-NE1 3.15Å; P174-W176 VanDerWaalsContact C-N 3.25Å; W176-I178 HydrophobicContact CB-CD1 3.92Å; W176-I178 HydrophobicContact CB-CG1 4.14Å; W176-I178 HydrophobicContact CD2-CD1 4.49Å; W176-I178 HydrophobicContact CE3-CD1 4.11Å; W176-I178 HydrophobicContact CE3-CG1 4.19Å; W176-I178 HydrophobicContact CG-CD1 4.45Å
177	N	98.7	Very high	98.3	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.053	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	105.1	172.7	-64.6	-50.4	0	0	0	108.7	K123 N124 F125 V256 N259 C260 G261	K123-N177 PolarHBondContact O-N 3.24Å; N124-N177 PolarHBondContact OD1-ND2 3.23Å; F125-N177 PolarHBondContact N-O 2.85Å; N177-V256 HydrophobicContact CB-CB 4.35Å; N177-V256 HydrophobicContact CB-CG1 3.71Å; N177-V256 HydrophobicContact CB-CG2 4.46Å; N177-V256 PolarHBondContact ND2-O 3.21Å; N177-N259 PolarHBondContact ND2-OD1 3.11Å; N177-N259 WeakPolarHBondContact OD1-CA 3.42Å; N177-C260 PolarHBondContact OD1-N 2.95Å; N177-G261 PolarHBondContact OD1-N 2.92Å
178	I	98.8	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.2	-170.7	-62.5	166.8	0	0	0	109.3	F125 L166 L169 W176 G261 F262 K263	F125-I178 HydrophobicContact CB-CG1 4.25Å; F125-I178 HydrophobicContact CD1-CG2 4.49Å; F125-I178 WeakPolarHBondContact O-CA 3.06Å; L166-I178 HydrophobicContact CB-CD1 4.31Å; L166-I178 HydrophobicContact CB-CG2 4.11Å; L166-I178 HydrophobicContact CD1-CG2 4.01Å; L166-I178 HydrophobicContact CD2-CD1 4.13Å; L166-I178 HydrophobicContact CD2-CG2 4.33Å; L166-I178 HydrophobicContact CG-CG2 4.39Å; L166-I178 WeakPolarHBondContact O-CD1 3.45Å; L169-I178 HydrophobicContact CD2-CD1 4.39Å; W176-I178 HydrophobicContact CB-CD1 3.92Å; W176-I178 HydrophobicContact CB-CG1 4.14Å; W176-I178 HydrophobicContact CD2-CD1 4.49Å; W176-I178 HydrophobicContact CE3-CD1 4.11Å; W176-I178 HydrophobicContact CE3-CG1 4.19Å; W176-I178 HydrophobicContact CG-CD1 4.45Å; I178-G261 PolarHBondContact N-O 2.67Å; I178-G261 VanDerWaalsContact O-O 3.07Å; I178-F262 HydrophobicContact CB-CD2 3.93Å; I178-F262 HydrophobicContact CG2-CD2 3.77Å; I178-F262 HydrophobicContact CG2-CE2 3.93Å; I178-F262 CarbonylContact O-C 3.56Å; I178-F262 WeakPolarHBondContact O-CA 3.17Å; I178-K263 PolarHBondContact O-N 3.23Å
179	I	98.8	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	123.3	170.7	-61.1	-174	0	0	0	109.4	F125 V126 L127 L181 S252 K255 V256 K263 Y265	F125-I179 PolarHBondContact O-N 2.71Å; V126-I179 CarbonylContact C-O 3.44Å; V126-I179 WeakPolarHBondContact CA-O 3.43Å; V126-I179 HydrophobicContact CG2-CB 4.48Å; L127-I179 PolarHBondContact N-O 3.26Å; I179-L181 HydrophobicContact CG2-CD2 3.43Å; I179-L181 VanDerWaalsContact CG2-CD2 3.43Å; I179-L181 HydrophobicContact CG2-CG 3.92Å; I179-S252 WeakPolarHBondContact CD1-O 3.42Å; I179-K255 HydrophobicContact CD1-CB 3.81Å; I179-K255 HydrophobicContact CD1-CG 3.87Å; I179-V256 HydrophobicContact CD1-CG2 3.66Å; I179-V256 HydrophobicContact CG1-CG2 3.71Å; I179-K263 CarbonylContact C-O 3.57Å; I179-K263 WeakPolarHBondContact CA-O 3.35Å; I179-K263 HydrophobicContact CG1-CB 4.29Å; I179-Y265 HydrophobicContact CD1-CE2 4.25Å; I179-Y265 HydrophobicContact CG2-CD2 3.65Å; I179-Y265 HydrophobicContact CG2-CE2 3.83Å
180	S	98.7	Very high	98.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.7	167.5	-172.7	0	0	0	0	110.5	S129 E163 K263 V264 Y265	S129-S180 WeakPolarHBondContact CB-OG 3.35Å; E163-S180 WeakPolarHBondContact CG-OG 3.35Å; E163-S180 PolarHBondContact OE1-OG 2.84Å; S180-K263 PolarHBondContact N-O 3.49Å; S180-V264 CarbonylContact O-C 3.42Å; S180-V264 VanDerWaalsContact O-CA 3.28Å; S180-V264 WeakPolarHBondContact O-CA 3.38Å; S180-Y265 PolarHBondContact O-N 3.1Å
181	L	98.8	Very high	98.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	111.6	179.4	-58.7	177	0	0	0	109.9	V126 L127 S129 I179 Y183 Y265 L267	V126-L181 HydrophobicContact CG1-CD1 3.49Å; V126-L181 VanDerWaalsContact CG1-CD1 3.49Å; V126-L181 HydrophobicContact CG1-CG 3.96Å; L127-L181 PolarHBondContact O-N 2.82Å; S129-L181 CarbonylContact C-O 3.56Å; S129-L181 VanDerWaalsContact C-O 3.25Å; S129-L181 VanDerWaalsContact CA-O 3.23Å; S129-L181 WeakPolarHBondContact CA-O 3.33Å; S129-L181 WeakPolarHBondContact CB-O 3.48Å; S129-L181 PolarHBondContact N-O 2.96Å; I179-L181 HydrophobicContact CG2-CD2 3.43Å; I179-L181 VanDerWaalsContact CG2-CD2 3.43Å; I179-L181 HydrophobicContact CG2-CG 3.92Å; L181-Y183 HydrophobicContact CB-CD1 4.03Å; L181-Y183 HydrophobicContact CB-CE1 3.32Å; L181-Y183 HydrophobicContact CD1-CE1 4.19Å; L181-Y183 HydrophobicContact CG-CE1 4.4Å; L181-Y183 WeakPolarHBondContact O-CD1 3.38Å; L181-Y183 WeakPolarHBondContact O-CE1 3.32Å; L181-Y183 PolarHBondContact O-N 3.32Å; L181-Y265 HydrophobicContact CD2-CD2 3.99Å; L181-L267 HydrophobicContact CB-CD1 3.82Å; L181-L267 HydrophobicContact CB-CG 4.36Å; L181-L267 HydrophobicContact CD1-CD1 3.89Å; L181-L267 HydrophobicContact CD2-CD1 3.96Å; L181-L267 HydrophobicContact CD2-CD2 4.48Å; L181-L267 HydrophobicContact CD2-CG 4.31Å; L181-L267 HydrophobicContact CG-CD1 4.1Å
182	R	98.7	Very high	98.3	Very high	10 Å²	10	26.9 Å²	26.9	4%	0.038	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	95.3	179.6	-68	174.9	-178	166.2	0.9	109.5	V133 Y134 E163 V264 Y265 L267	V133-R182 HydrophobicContact CG2-CG 4.24Å; Y134-R182 VanDerWaalsContact CE1-NH1 3.27Å; Y134-R182 VanDerWaalsContact CZ-NH1 3.28Å; Y134-R182 VanDerWaalsContact OH-CD 3.26Å; Y134-R182 WeakPolarHBondContact OH-CD 3.37Å; Y134-R182 PolarHBondContact OH-NH1 2.89Å; E163-R182 WeakPolarHBondContact OE1-CG 3.43Å; E163-R182 IonicContact OE1-CZ 3.75Å; E163-R182 IonicContact OE1-NE 2.89Å; E163-R182 PolarHBondContact OE1-NE 2.91Å; E163-R182 IonicContact OE1-NH2 3.1Å; E163-R182 IonicContact OE2-CZ 2.96Å; E163-R182 IonicContact OE2-NE 3.79Å; E163-R182 PolarHBondContact OE2-NE 2.8Å; E163-R182 IonicContact OE2-NH2 2.92Å; E163-R182 PolarHBondContact OE2-NH2 3.21Å; R182-V264 HydrophobicContact CG-CG1 4.22Å; R182-V264 VanDerWaalsContact CZ-CG1 3.48Å; R182-Y265 PolarHBondContact N-O 3.35Å; R182-L267 PolarHBondContact O-N 2.5Å
183	Y	98.2	Very high	98.3	Very high	13 Å²	13	22.3 Å²	22.3	5%	0.051	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	143.9	179.2	-46.5	-28.3	0	0	0	111.4	I18 F86 S128 S129 A131 L181 L245 H249 L267	I18-Y183 HydrophobicContact CD1-CD2 3.89Å; I18-Y183 HydrophobicContact CD1-CE2 4.05Å; F86-Y183 HydrophobicContact CD1-CE2 4.48Å; F86-Y183 HydrophobicContact CE1-CE2 4.33Å; S128-Y183 WeakPolarHBondContact CA-OH 3.35Å; S128-Y183 VanDerWaalsContact CB-CE2 3.48Å; S128-Y183 VanDerWaalsContact CB-OH 3.3Å; S128-Y183 WeakPolarHBondContact CB-OH 3.34Å; S128-Y183 PolarHBondContact OG-OH 2.97Å; S129-Y183 PolarHBondContact O-N 2.92Å; A131-Y183 PolarHBondContact N-O 3.47Å; L181-Y183 HydrophobicContact CB-CD1 4.03Å; L181-Y183 HydrophobicContact CB-CE1 3.32Å; L181-Y183 HydrophobicContact CD1-CE1 4.19Å; L181-Y183 HydrophobicContact CG-CE1 4.4Å; L181-Y183 WeakPolarHBondContact O-CD1 3.38Å; L181-Y183 WeakPolarHBondContact O-CE1 3.32Å; L181-Y183 PolarHBondContact O-N 3.32Å; Y183-L245 HydrophobicContact CD1-CD1 3.45Å; Y183-L245 VanDerWaalsContact CD1-CD1 3.45Å; Y183-L245 HydrophobicContact CD1-CD2 4.2Å; Y183-L245 HydrophobicContact CD1-CG 4.38Å; Y183-L245 HydrophobicContact CD2-CD2 4.1Å; Y183-L245 HydrophobicContact CE1-CD1 3.69Å; Y183-L245 HydrophobicContact CE1-CG 4.5Å; Y183-L245 HydrophobicContact CG-CD1 4.05Å; Y183-L245 HydrophobicContact CG-CD2 3.97Å; Y183-H249 AromaticContact CE1-CE1 3.84Å; Y183-H249 AromaticContact CZ-CE1 3.65Å; Y183-H249 AromaticContact CZ-NE2 3.58Å; Y183-H249 PolarHBondContact OH-CE1 3.11Å; Y183-H249 VanDerWaalsContact OH-CE1 3.24Å; Y183-H249 PolarHBondContact OH-NE2 3.13Å; Y183-L267 HydrophobicContact CD1-CB 4.32Å; Y183-L267 HydrophobicContact CD1-CD1 3.98Å; Y183-L267 HydrophobicContact CE1-CD1 3.9Å
184	F	97.3	Very high	98.2	Very high	10 Å²	10	22 Å²	22	4%	0.044	14%	0.135	C	C	.	.			trans	-87.6	-124	165.9	-74.1	-108.9	0	0	0	109.1	A131 L142 P186 D238 N266 L267 V305 S307	A131-F184 HydrophobicContact CB-CD1 3.98Å; A131-F184 HydrophobicContact CB-CD2 4.18Å; A131-F184 HydrophobicContact CB-CE1 3.93Å; A131-F184 HydrophobicContact CB-CE2 4.06Å; A131-F184 HydrophobicContact CB-CG 4.11Å; A131-F184 HydrophobicContact CB-CZ 3.95Å; L142-F184 HydrophobicContact CB-CZ 4.06Å; L142-F184 HydrophobicContact CD1-CE1 3.96Å; L142-F184 HydrophobicContact CD1-CZ 3.99Å; F184-P186 WeakPolarHBondContact O-CD 3.46Å; F184-D238 HydrophobicContact CB-CB 4.07Å; F184-D238 VanDerWaalsContact CB-O 3.32Å; F184-D238 WeakPolarHBondContact CB-O 3.48Å; F184-D238 HydrophobicContact CD1-CB 3.76Å; F184-D238 HydrophobicContact CG-CB 4.14Å; F184-N266 HydrophobicContact CE2-CB 3.96Å; F184-L267 PolarHBondContact N-O 3.04Å; F184-V305 HydrophobicContact CD1-CG1 4.25Å; F184-V305 HydrophobicContact CE1-CG1 3.93Å; F184-S307 VanDerWaalsContact CE1-N 3.33Å; F184-S307 VanDerWaalsContact CZ-CA 3.48Å
185	N	97.4	Very high	98.3	Very high	47 Å²	47	17.8 Å²	17.8	25%	0.251	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	86.7	-172.5	-69.7	84.4	0	0	0	111.6	V187 R237 D238 Y239 I240	N185-V187 PolarHBondContact O-N 3.3Å; N185-R237 HydrophobicContact CB-CB 4.47Å; N185-D238 WeakPolarHBondContact CB-O 3.01Å; N185-D238 PolarHBondContact N-O 2.79Å; N185-Y239 HydrophobicContact CB-CD1 3.75Å; N185-Y239 HydrophobicContact CB-CE1 4.06Å; N185-Y239 HydrophobicContact CB-CG 4.39Å; N185-Y239 VanDerWaalsContact O-CA 3.31Å; N185-Y239 WeakPolarHBondContact O-CA 3.16Å; N185-I240 PolarHBondContact O-N 3.37Å
186	P	98	Very high	98.2	Very high	29 Å²	29	14 Å²	14	19%	0.188	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	135.2	178.1	24.4	-31.6	0	0	0	112	F17 I18 F184 I240 L245	F17-P186 HydrophobicContact CE1-CB 4.28Å; I18-P186 HydrophobicContact CD1-CB 4.46Å; I18-P186 HydrophobicContact CD1-CG 3.81Å; I18-P186 HydrophobicContact CG1-CB 4.48Å; I18-P186 HydrophobicContact CG1-CG 4.26Å; F184-P186 WeakPolarHBondContact O-CD 3.46Å; P186-I240 CarbonylContact C-O 3.57Å; P186-I240 VanDerWaalsContact CA-O 3.25Å; P186-I240 WeakPolarHBondContact CA-O 3.17Å; P186-I240 HydrophobicContact CB-CG2 4.42Å; P186-L245 HydrophobicContact CB-CD2 3.74Å; P186-L245 HydrophobicContact CG-CD2 4.1Å
187	V	98.3	Very high	98.1	Very high	6 Å²	6	14.6 Å²	14.6	4%	0.036	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	176.2	179	-64.9	0	0	0	0	109.7	N185 M207 Y239 I240 H241 V242 M327	N185-V187 PolarHBondContact O-N 3.3Å; V187-M207 HydrophobicContact CB-CG 4.18Å; V187-M207 HydrophobicContact CG1-CB 3.95Å; V187-M207 HydrophobicContact CG1-CG 3.44Å; V187-M207 VanDerWaalsContact CG1-CG 3.44Å; V187-Y239 HydrophobicContact CG1-CD1 3.62Å; V187-Y239 HydrophobicContact CG1-CE1 4.28Å; V187-Y239 HydrophobicContact CG2-CD1 4.43Å; V187-I240 PolarHBondContact N-O 3.02Å; V187-H241 CarbonylContact O-C 3.02Å; V187-H241 WeakPolarHBondContact O-CA 3.25Å; V187-V242 PolarHBondContact O-N 2.9Å; V187-M327 HydrophobicContact CG2-CB 3.79Å; V187-M327 HydrophobicContact CG2-CG 3.74Å; V187-M327 HydrophobicContact CG2-SD 3.36Å; V187-M327 WeakPolarHBondContact CG2-SD 3.49Å
188	G	98.2	Very high	97.8	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.01	9%	0.094	C	C	.	.			trans	93.3	-169.8	-177.4	0	0	0	0	0	112.8	F17 M327	F17-G188 WeakPolarHBondContact CE2-O 3.36Å; F17-G188 WeakPolarHBondContact CZ-O 3.28Å; G188-M327 WeakPolarHBondContact CA-O 3.36Å
189	A	98.6	Very high	97	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.1	C	C	.	.			trans	-155.2	176.4	175.8	0	0	0	0	0	109.3	H241 W334	A189-H241 PolarHBondContact O-CE1 2.79Å; A189-H241 VanDerWaalsContact O-CE1 3.22Å; A189-W334 HydrophobicContact CB-CB 3.55Å; A189-W334 HydrophobicContact CB-CG 4.12Å
190	H	98.7	Very high	96.2	Very high	32 Å²	32	22.1 Å²	22.1	15%	0.148	13%	0.125	C	C	.	.			trans	-71.3	138	173.1	-173.7	-91.6	0	0	0	109.6	H21 S192 G193 I195	H21-H190 PolarHBondContact NE2-N 3.2Å; H190-S192 WeakPolarHBondContact ND1-CB 3.39Å; H190-S192 PolarHBondContact ND1-N 3.36Å; H190-S192 PolarHBondContact ND1-OG 3.12Å; H190-S192 PolarHBondContact O-N 3.17Å; H190-G193 PolarHBondContact O-N 3.15Å; H190-I195 HydrophobicContact CB-CD1 3.99Å; H190-I195 HydrophobicContact CB-CG1 3.43Å; H190-I195 VanDerWaalsContact CB-CG1 3.43Å; H190-I195 PolarHBondContact N-O 2.97Å
191	A	98.2	Very high	95.5	Very high	57 Å²	57	24.9 Å²	24.9	47%	0.471	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-24	-174.6	0	0	0	0	0	114.5	G193 N333	A191-G193 PolarHBondContact O-N 2.72Å; A191-N333 PolarHBondContact O-ND2 3.21Å
192	S	97.9	Very high	94.7	Very high	38 Å²	38	30.6 Å²	30.6	27%	0.266	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-26	173.1	66.8	0	0	0	0	113.4	H190 L194 K337	H190-S192 WeakPolarHBondContact ND1-CB 3.39Å; H190-S192 PolarHBondContact ND1-N 3.36Å; H190-S192 PolarHBondContact ND1-OG 3.12Å; H190-S192 PolarHBondContact O-N 3.17Å; S192-L194 WeakPolarHBondContact OG-CB 3.43Å; S192-L194 PolarHBondContact OG-N 2.92Å; S192-L194 VanDerWaalsContact OG-N 3.17Å; S192-K337 PolarHBondContact O-NZ 2.88Å
193	G	97.7	Very high	94.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	69	21.7	-169.2	0	0	0	0	0	112.9	H190 A191 N333 N338	H190-G193 PolarHBondContact O-N 3.15Å; A191-G193 PolarHBondContact O-N 2.72Å; G193-N333 PolarHBondContact N-ND2 2.91Å; G193-N338 PolarHBondContact O-ND2 3.43Å
194	L	97.8	Very high	93.4	Very high	37 Å²	37	33.8 Å²	33.8	19%	0.194	20%	0.202	C	C	.	.	S	Bend	trans	-96.4	-22.1	176.9	-68	178	0	0	0	114.2	R49 K52 I53 S192 W334 I346	R49-L194 WeakPolarHBondContact CB-O 3.41Å; R49-L194 WeakPolarHBondContact CG-O 3.4Å; R49-L194 PolarHBondContact NH1-O 3.29Å; R49-L194 VanDerWaalsContact NH1-O 3.15Å; K52-L194 HydrophobicContact CB-CD1 4.4Å; I53-L194 HydrophobicContact CD1-CB 4.04Å; I53-L194 HydrophobicContact CG1-CB 4.13Å; I53-L194 HydrophobicContact CG1-CD1 4.02Å; S192-L194 WeakPolarHBondContact OG-CB 3.43Å; S192-L194 PolarHBondContact OG-N 2.92Å; S192-L194 VanDerWaalsContact OG-N 3.17Å; L194-W334 WeakPolarHBondContact O-CZ3 3.5Å; L194-I346 HydrophobicContact CD2-CD1 4.15Å
195	I	98.3	Very high	93	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-131.2	148.7	169.2	61.7	174.7	0	0	0	109.7	V24 R49 I50 I53 H190 W334 Y342	V24-I195 HydrophobicContact CG2-CD1 3.88Å; R49-I195 HydrophobicContact CB-CG2 3.52Å; I50-I195 HydrophobicContact CG1-CG2 4.16Å; I53-I195 HydrophobicContact CD1-CB 4.3Å; I53-I195 HydrophobicContact CD1-CD1 3.86Å; I53-I195 HydrophobicContact CD1-CG1 3.69Å; I53-I195 HydrophobicContact CD1-CG2 3.84Å; H190-I195 HydrophobicContact CB-CD1 3.99Å; H190-I195 HydrophobicContact CB-CG1 3.43Å; H190-I195 VanDerWaalsContact CB-CG1 3.43Å; H190-I195 PolarHBondContact N-O 2.97Å; I195-W334 VanDerWaalsContact CA-CZ3 3.49Å; I195-Y342 WeakPolarHBondContact CA-OH 3.12Å
196	G	97.4	Very high	92.8	Very high	1 Å²	1	36 Å²	36	1%	0.01	21%	0.214	C	C	.	.			trans	-169.9	-168.9	178.4	0	0	0	0	0	111.4	Y342	G196-Y342 PolarHBondContact N-OH 2.86Å; G196-Y342 PolarHBondContact O-OH 3.13Å
197	E	95.4	Very high	92.7	Very high	16 Å²	16	34.9 Å²	34.9	8%	0.075	21%	0.206	C	C	.	.			trans	-82.1	121.1	177.1	-166	162.1	-150	0	0	110.5	F17 K90 P208 W334	F17-E197 HydrophobicContact CB-CB 4.33Å; F17-E197 HydrophobicContact CB-CG 4.04Å; F17-E197 HydrophobicContact CD1-CB 3.96Å; F17-E197 VanDerWaalsContact CD1-CD 3.4Å; F17-E197 HydrophobicContact CD1-CG 3.84Å; F17-E197 WeakPolarHBondContact CD1-OE1 3.39Å; F17-E197 HydrophobicContact CD2-CB 3.6Å; F17-E197 HydrophobicContact CD2-CG 4.22Å; F17-E197 HydrophobicContact CE1-CB 4.12Å; F17-E197 HydrophobicContact CE1-CG 4.33Å; F17-E197 HydrophobicContact CE2-CB 3.77Å; F17-E197 HydrophobicContact CG-CB 3.7Å; F17-E197 HydrophobicContact CG-CG 3.78Å; F17-E197 HydrophobicContact CZ-CB 4.03Å; K90-E197 IonicContact NZ-OE1 2.97Å; K90-E197 PolarHBondContact NZ-OE1 2.69Å; E197-P208 HydrophobicContact CB-CG 4.25Å; E197-P208 HydrophobicContact CG-CG 3.88Å; E197-P208 WeakPolarHBondContact OE2-CG 3.35Å; E197-W334 PolarHBondContact O-NE1 3.29Å
198	D	92.4	Very high	92.3	Very high	37 Å²	37	34.8 Å²	34.8	20%	0.198	21%	0.206	C	C	.	.			trans	-136.3	76.8	177.6	-173.4	29.7	0	0	0	109.1	W334 G341 Y342	D198-W334 HydrophobicContact CB-CZ2 4.5Å; D198-G341 WeakPolarHBondContact OD2-CA 3.21Å; D198-Y342 HydrophobicContact CB-CD2 3.49Å; D198-Y342 VanDerWaalsContact CB-CD2 3.49Å; D198-Y342 HydrophobicContact CB-CE2 3.52Å; D198-Y342 WeakPolarHBondContact OD2-CD2 3.34Å; D198-Y342 PolarHBondContact OD2-N 3.22Å
199	P	83.2	Confident	92.1	Very high	20 Å²	20	36.6 Å²	36.6	13%	0.13	21%	0.213	C	C	.	.			trans	-72.8	148.5	-178.1	31.8	-31.8	0	0	0	110.2	G201 P203 P208	P199-G201 PolarHBondContact O-N 3.11Å; P199-P203 HydrophobicContact CG-CB 3.96Å; P199-P203 HydrophobicContact CG-CG 3.96Å; P199-P208 HydrophobicContact CG-CB 4.41Å
200	Q	81.7	Confident	92	Very high	110 Å²	110	36.6 Å²	36.6	51%	0.514	21%	0.213	S	C	.	.	S	Bend	trans	-72.8	128.5	175.4	-65.4	-64.5	-21.3	0	0	110.1	N41 S42	N41-Q200 PolarHBondContact OD1-N 3.43Å; S42-Q200 PolarHBondContact O-NE2 3.46Å; S42-Q200 VanDerWaalsContact O-NE2 3.13Å
201	G	83.1	Confident	91.7	Very high	59 Å²	59	35.1 Å²	35.1	61%	0.608	21%	0.206	S	C	*	.	S	Bend	trans	79.3	-153.8	179.8	0	0	0	0	0	114.4	P199	P199-G201 PolarHBondContact O-N 3.11Å
202	I	83	Confident	91.4	Very high	120 Å²	120	34.1 Å²	34.1	62%	0.615	19%	0.192	S	C	*	.	S	Bend	trans	-72.8	126.4	179.3	-61.2	175.1	0	0	0	109	N204 Y209	I202-N204 PolarHBondContact O-N 3.41Å; I202-Y209 HydrophobicContact CG2-CD2 4.18Å; I202-Y209 HydrophobicContact CG2-CE2 3.8Å
203	P	85	Confident	91.3	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.039	18%	0.181	C	C	.	.			trans	-61.8	134.7	-179.2	-22.2	31.6	0	0	0	113.4	P199 P208 Q212	P199-P203 HydrophobicContact CG-CB 3.96Å; P199-P203 HydrophobicContact CG-CG 3.96Å; P203-P208 HydrophobicContact CB-CB 3.79Å; P203-P208 HydrophobicContact CG-CB 3.96Å; P203-Q212 VanDerWaalsContact CG-NE2 3.33Å
204	N	84.1	Confident	91.2	Very high	84 Å²	84	33.1 Å²	33.1	45%	0.449	19%	0.185	S	C	.	.	S	Bend	trans	-86.5	-20.2	173.6	-71.9	-65.4	0	0	0	113.1	S91 S93 I202	S91-N204 PolarHBondContact OG-ND2 3.18Å; S93-N204 PolarHBondContact OG-OD1 3.3Å; I202-N204 PolarHBondContact O-N 3.41Å
205	N	88.5	Confident	90.9	Very high	65 Å²	65	33.5 Å²	33.5	35%	0.348	19%	0.191	S	C	.	.	S	Bend	trans	-92.3	149	-179.6	-69.5	94.7	0	0	0	110.8	P208	N205-P208 HydrophobicContact CB-CG 4.46Å
206	L	93.3	Very high	90.7	Very high	39 Å²	39	36.6 Å²	36.6	20%	0.204	22%	0.222	C	C	.	.	H	α-helix	trans	-57.2	-55.8	-175	177.6	66.2	0	0	0	112.1	Y209 V210 V221 Y239 V275 M278	L206-Y209 WeakPolarHBondContact O-CA 3.29Å; L206-Y209 WeakPolarHBondContact O-CB 3.07Å; L206-Y209 PolarHBondContact O-N 3.12Å; L206-Y209 VanDerWaalsContact O-N 3.09Å; L206-V210 HydrophobicContact CD1-CG2 3.66Å; L206-V210 HydrophobicContact CG-CG2 3.87Å; L206-V210 VanDerWaalsContact O-CG2 3.29Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 3.09Å; L206-V221 HydrophobicContact CD1-CG1 4.13Å; L206-Y239 VanDerWaalsContact CD2-OH 3.22Å; L206-Y239 WeakPolarHBondContact CD2-OH 3.44Å; L206-V275 HydrophobicContact CD1-CG1 3.89Å; L206-V275 HydrophobicContact CD2-CB 4.43Å; L206-V275 HydrophobicContact CD2-CG1 4.03Å; L206-V275 HydrophobicContact CD2-CG2 4.31Å; L206-M278 HydrophobicContact CD2-CB 4.06Å; L206-M278 HydrophobicContact CD2-CG 4.29Å
207	M	95.3	Very high	90.2	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.02	24%	0.242	C	C	.	.	H	α-helix	trans	-68.4	-41.6	-165.6	-66.8	-49	-65.8	0	0	114.8	V187 Y209 V210 T211 M278 M282 L331	V187-M207 HydrophobicContact CB-CG 4.18Å; V187-M207 HydrophobicContact CG1-CB 3.95Å; V187-M207 HydrophobicContact CG1-CG 3.44Å; V187-M207 VanDerWaalsContact CG1-CG 3.44Å; M207-Y209 PolarHBondContact O-N 3.47Å; M207-V210 PolarHBondContact O-N 2.68Å; M207-V210 HydrophobicContact SD-CG2 4.46Å; M207-T211 WeakPolarHBondContact O-CG2 3.46Å; M207-T211 PolarHBondContact O-N 3.34Å; M207-T211 PolarHBondContact O-OG1 3.48Å; M207-M278 HydrophobicContact CE-CE 3.72Å; M207-M278 HydrophobicContact CG-CE 3.94Å; M207-M278 HydrophobicContact SD-CB 3.83Å; M207-M278 HydrophobicContact SD-CE 3.41Å; M207-M278 WeakPolarHBondContact SD-CE 3.44Å; M207-M278 HydrophobicContact SD-CG 4.3Å; M207-M282 HydrophobicContact CE-CB 4.29Å; M207-M282 HydrophobicContact CE-CE 3.36Å; M207-L331 HydrophobicContact CB-CD2 3.71Å; M207-L331 HydrophobicContact CE-CD2 4.11Å
208	P	90.8	Very high	90.1	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.032	25%	0.247	C	C	.	.	H	α-helix	trans	-64.4	-28.3	172.2	-20.8	31.8	0	0	0	113	E197 P199 P203 N205 T211 Q212	E197-P208 HydrophobicContact CB-CG 4.25Å; E197-P208 HydrophobicContact CG-CG 3.88Å; E197-P208 WeakPolarHBondContact OE2-CG 3.35Å; P199-P208 HydrophobicContact CG-CB 4.41Å; P203-P208 HydrophobicContact CB-CB 3.79Å; P203-P208 HydrophobicContact CG-CB 3.96Å; N205-P208 HydrophobicContact CB-CG 4.46Å; P208-T211 WeakPolarHBondContact CA-OG1 3.16Å; P208-T211 PolarHBondContact O-OG1 3.18Å; P208-Q212 VanDerWaalsContact O-CG 3.3Å; P208-Q212 WeakPolarHBondContact O-CG 3.28Å; P208-Q212 PolarHBondContact O-N 2.86Å
209	Y	93.4	Very high	90.2	Very high	39 Å²	39	43.8 Å²	43.8	15%	0.153	27%	0.266	C	S	.	.	H	α-helix	trans	-70.3	-46.3	173.4	-160.5	-67.3	0	0	0	110.7	I202 L206 M207 T211 Q212 V213 L218 Y220 N222	I202-Y209 HydrophobicContact CG2-CD2 4.18Å; I202-Y209 HydrophobicContact CG2-CE2 3.8Å; L206-Y209 WeakPolarHBondContact O-CA 3.29Å; L206-Y209 WeakPolarHBondContact O-CB 3.07Å; L206-Y209 PolarHBondContact O-N 3.12Å; L206-Y209 VanDerWaalsContact O-N 3.09Å; M207-Y209 PolarHBondContact O-N 3.47Å; Y209-T211 VanDerWaalsContact C-N 3.3Å; Y209-T211 PolarHBondContact O-N 3.03Å; Y209-Q212 PolarHBondContact O-N 3.31Å; Y209-V213 HydrophobicContact CD1-CG2 3.95Å; Y209-V213 HydrophobicContact CE1-CG2 3.88Å; Y209-V213 WeakPolarHBondContact O-CG2 3.31Å; Y209-V213 PolarHBondContact O-N 3.45Å; Y209-L218 HydrophobicContact CD1-CD1 3.92Å; Y209-L218 HydrophobicContact CD2-CD1 4.04Å; Y209-L218 HydrophobicContact CE1-CB 4.43Å; Y209-L218 HydrophobicContact CE1-CD1 3.65Å; Y209-L218 HydrophobicContact CE2-CD1 3.81Å; Y209-L218 HydrophobicContact CG-CD1 4.1Å; Y209-Y220 VanDerWaalsContact CE1-O 3.31Å; Y209-Y220 WeakPolarHBondContact CE1-O 3.26Å; Y209-N222 PolarHBondContact OH-ND2 2.85Å
210	V	96.4	Very high	90.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58.1	-42	177.1	175.2	0	0	0	0	110.7	L206 M207 V213 A214 V221 I279 M282 I290	L206-V210 HydrophobicContact CD1-CG2 3.66Å; L206-V210 HydrophobicContact CG-CG2 3.87Å; L206-V210 VanDerWaalsContact O-CG2 3.29Å; L206-V210 WeakPolarHBondContact O-CG2 3.42Å; L206-V210 PolarHBondContact O-N 3.09Å; M207-V210 PolarHBondContact O-N 2.68Å; M207-V210 HydrophobicContact SD-CG2 4.46Å; V210-V213 PolarHBondContact O-N 3.01Å; V210-A214 WeakPolarHBondContact O-CB 3.25Å; V210-A214 PolarHBondContact O-N 3.04Å; V210-V221 HydrophobicContact CB-CG2 4.37Å; V210-V221 HydrophobicContact CG2-CG1 4.05Å; V210-V221 HydrophobicContact CG2-CG2 3.93Å; V210-I279 HydrophobicContact CG2-CG1 4.24Å; V210-M282 HydrophobicContact CG1-CB 3.84Å; V210-M282 HydrophobicContact CG1-CG 3.73Å; V210-I290 HydrophobicContact CG1-CD1 3.86Å; V210-I290 HydrophobicContact CG1-CG2 4.26Å
211	T	93.9	Very high	91.6	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-69.7	-34.8	179	58.1	0	0	0	0	112.7	M207 P208 Y209 V213 A214 S215 M282 L331 Q335	M207-T211 WeakPolarHBondContact O-CG2 3.46Å; M207-T211 PolarHBondContact O-N 3.34Å; M207-T211 PolarHBondContact O-OG1 3.48Å; P208-T211 WeakPolarHBondContact CA-OG1 3.16Å; P208-T211 PolarHBondContact O-OG1 3.18Å; Y209-T211 VanDerWaalsContact C-N 3.3Å; Y209-T211 PolarHBondContact O-N 3.03Å; T211-V213 VanDerWaalsContact C-N 3.31Å; T211-A214 PolarHBondContact O-N 2.94Å; T211-S215 WeakPolarHBondContact O-CB 3.45Å; T211-S215 PolarHBondContact O-N 2.91Å; T211-S215 PolarHBondContact O-OG 3.29Å; T211-M282 HydrophobicContact CG2-CE 3.9Å; T211-M282 HydrophobicContact CG2-SD 4.15Å; T211-L331 HydrophobicContact CG2-CD1 4.15Å; T211-L331 HydrophobicContact CG2-CD2 3.54Å; T211-L331 HydrophobicContact CG2-CG 3.52Å; T211-Q335 PolarHBondContact OG1-OE1 3.49Å
212	Q	91.9	Very high	92.2	Very high	35 Å²	35	41.7 Å²	41.7	16%	0.164	24%	0.236	C	C	.	.	H	α-helix	trans	-66.7	-32.4	172.8	-75.5	-175.1	14	0	0	112.4	P203 P208 Y209 S215 G216 L217 L218	P203-Q212 VanDerWaalsContact CG-NE2 3.33Å; P208-Q212 VanDerWaalsContact O-CG 3.3Å; P208-Q212 WeakPolarHBondContact O-CG 3.28Å; P208-Q212 PolarHBondContact O-N 2.86Å; Y209-Q212 PolarHBondContact O-N 3.31Å; Q212-S215 WeakPolarHBondContact CA-OG 3.3Å; Q212-S215 PolarHBondContact O-OG 3.46Å; Q212-S215 VanDerWaalsContact O-OG 3.09Å; Q212-G216 PolarHBondContact O-N 3.02Å; Q212-L217 HydrophobicContact CB-CB 4.25Å; Q212-L217 HydrophobicContact CG-CD1 4.23Å; Q212-L217 WeakPolarHBondContact O-CB 3.39Å; Q212-L217 PolarHBondContact O-N 3.08Å; Q212-L218 HydrophobicContact CB-CB 4.49Å; Q212-L218 HydrophobicContact CB-CD1 3.82Å; Q212-L218 HydrophobicContact CB-CG 4.02Å; Q212-L218 PolarHBondContact O-N 3.19Å; Q212-L218 VanDerWaalsContact O-N 3.13Å
213	V	95.4	Very high	92.9	Very high	8 Å²	8	36 Å²	36	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-70	-45.9	170.8	176	0	0	0	0	110.6	Y209 V210 T211 S215 G216 L218 Y220 V221 I290 P291	Y209-V213 HydrophobicContact CD1-CG2 3.95Å; Y209-V213 HydrophobicContact CE1-CG2 3.88Å; Y209-V213 WeakPolarHBondContact O-CG2 3.31Å; Y209-V213 PolarHBondContact O-N 3.45Å; V210-V213 PolarHBondContact O-N 3.01Å; T211-V213 VanDerWaalsContact C-N 3.31Å; V213-S215 PolarHBondContact O-N 2.93Å; V213-G216 PolarHBondContact O-N 2.92Å; V213-L218 WeakPolarHBondContact CA-O 3.31Å; V213-L218 HydrophobicContact CG2-CB 3.66Å; V213-Y220 VanDerWaalsContact CG2-C 3.44Å; V213-V221 HydrophobicContact CB-CG2 3.98Å; V213-V221 HydrophobicContact CG1-CG2 4.2Å; V213-V221 HydrophobicContact CG2-CG2 3.76Å; V213-I290 HydrophobicContact CB-CG2 4.36Å; V213-I290 HydrophobicContact CG1-CG2 3.9Å; V213-P291 HydrophobicContact CG1-CG 3.94Å
214	A	95.2	Very high	93.3	Very high	10 Å²	10	40.1 Å²	40.1	8%	0.083	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-31.1	177.7	0	0	0	0	0	113.1	V210 T211 G216 I290 W332	V210-A214 WeakPolarHBondContact O-CB 3.25Å; V210-A214 PolarHBondContact O-N 3.04Å; T211-A214 PolarHBondContact O-N 2.94Å; A214-G216 VanDerWaalsContact C-N 3.34Å; A214-I290 HydrophobicContact CB-CD1 3.89Å; A214-I290 HydrophobicContact CB-CG1 3.96Å; A214-W332 HydrophobicContact CB-CE3 4.41Å; A214-W332 HydrophobicContact CB-CH2 4.16Å; A214-W332 HydrophobicContact CB-CZ3 3.7Å
215	S	92.4	Very high	93.9	Very high	45 Å²	45	36.2 Å²	36.2	32%	0.315	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-4.8	174.9	68.4	0	0	0	0	114.2	T211 Q212 V213 L217	T211-S215 WeakPolarHBondContact O-CB 3.45Å; T211-S215 PolarHBondContact O-N 2.91Å; T211-S215 PolarHBondContact O-OG 3.29Å; Q212-S215 WeakPolarHBondContact CA-OG 3.3Å; Q212-S215 PolarHBondContact O-OG 3.46Å; Q212-S215 VanDerWaalsContact O-OG 3.09Å; V213-S215 PolarHBondContact O-N 2.93Å; S215-L217 WeakPolarHBondContact OG-CG 3.1Å
216	G	92.3	Very high	94.3	Very high	64 Å²	64	37.3 Å²	37.3	66%	0.66	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	10.1	179.6	0	0	0	0	0	115.1	Q212 V213 A214	Q212-G216 PolarHBondContact O-N 3.02Å; V213-G216 PolarHBondContact O-N 2.92Å; A214-G216 VanDerWaalsContact C-N 3.34Å
217	L	88.4	Confident	94.5	Very high	81 Å²	81	39.9 Å²	39.9	42%	0.424	22%	0.222	S	C	.	.	S	Bend	trans	-76.1	-29.5	175.5	-66	172.7	0	0	0	112.4	Q212 S215	Q212-L217 HydrophobicContact CB-CB 4.25Å; Q212-L217 HydrophobicContact CG-CD1 4.23Å; Q212-L217 WeakPolarHBondContact O-CB 3.39Å; Q212-L217 PolarHBondContact O-N 3.08Å; S215-L217 WeakPolarHBondContact OG-CG 3.1Å
218	L	92.3	Very high	94.5	Very high	33 Å²	33	40.5 Å²	40.5	17%	0.173	22%	0.224	C	C	.	.	S	Bend	trans	-122.8	148.3	175.9	-66.5	178	0	0	0	110.4	Y209 Q212 V213	Y209-L218 HydrophobicContact CD1-CD1 3.92Å; Y209-L218 HydrophobicContact CD2-CD1 4.04Å; Y209-L218 HydrophobicContact CE1-CB 4.43Å; Y209-L218 HydrophobicContact CE1-CD1 3.65Å; Y209-L218 HydrophobicContact CE2-CD1 3.81Å; Y209-L218 HydrophobicContact CG-CD1 4.1Å; Q212-L218 HydrophobicContact CB-CB 4.49Å; Q212-L218 HydrophobicContact CB-CD1 3.82Å; Q212-L218 HydrophobicContact CB-CG 4.02Å; Q212-L218 PolarHBondContact O-N 3.19Å; Q212-L218 VanDerWaalsContact O-N 3.13Å; V213-L218 WeakPolarHBondContact CA-O 3.31Å; V213-L218 HydrophobicContact CG2-CB 3.66Å
219	P	95.1	Very high	94.7	Very high	92 Å²	92	46.2 Å²	46.2	60%	0.597	26%	0.264	S	S	*	.	S	Bend	trans	-77.6	-32	-169.9	29.5	-36.1	0	0	0	114.2	P291	P219-P291 WeakPolarHBondContact O-CG 3.46Å
220	Y	97.2	Very high	94.9	Very high	106 Å²	106	45.8 Å²	45.8	42%	0.416	27%	0.265	S	S	.	.			trans	-165.5	156.8	-178.3	54.1	-98.8	0	0	0	111.5	Y209 V213 N222 P291 T293	Y209-Y220 VanDerWaalsContact CE1-O 3.31Å; Y209-Y220 WeakPolarHBondContact CE1-O 3.26Å; V213-Y220 VanDerWaalsContact CG2-C 3.44Å; Y220-N222 WeakPolarHBondContact CE2-OD1 3.41Å; Y220-P291 CarbonylContact C-O 3.39Å; Y220-P291 VanDerWaalsContact CA-O 3.23Å; Y220-P291 WeakPolarHBondContact CA-O 3.34Å; Y220-T293 HydrophobicContact CD2-CG2 3.52Å; Y220-T293 HydrophobicContact CE2-CG2 3.5Å; Y220-T293 VanDerWaalsContact CE2-CG2 3.5Å
221	V	97.5	Very high	94.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	136.1	173.6	-176.8	0	0	0	0	110.4	L206 V210 V213 V223 I279 I290 P291 Y292 T293	L206-V221 HydrophobicContact CD1-CG1 4.13Å; V210-V221 HydrophobicContact CB-CG2 4.37Å; V210-V221 HydrophobicContact CG2-CG1 4.05Å; V210-V221 HydrophobicContact CG2-CG2 3.93Å; V213-V221 HydrophobicContact CB-CG2 3.98Å; V213-V221 HydrophobicContact CG1-CG2 4.2Å; V213-V221 HydrophobicContact CG2-CG2 3.76Å; V221-V223 HydrophobicContact CG1-CG2 4.49Å; V221-I279 HydrophobicContact CB-CD1 4.41Å; V221-I279 HydrophobicContact CG1-CD1 4.17Å; V221-I290 HydrophobicContact CG2-CG2 3.7Å; V221-P291 PolarHBondContact N-O 2.89Å; V221-Y292 CarbonylContact O-C 3.51Å; V221-Y292 WeakPolarHBondContact O-CA 3.3Å; V221-Y292 WeakPolarHBondContact O-CB 3.42Å; V221-T293 PolarHBondContact O-N 3.37Å
222	N	94.9	Very high	95.1	Very high	36 Å²	36	53.9 Å²	53.9	19%	0.193	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	112.2	170.9	-68	-59.3	0	0	0	110.3	Y209 Y220 Y224 T293 C295	Y209-N222 PolarHBondContact OH-ND2 2.85Å; Y220-N222 WeakPolarHBondContact CE2-OD1 3.41Å; N222-Y224 HydrophobicContact CB-CE1 3.85Å; N222-Y224 HydrophobicContact CB-CE2 4.25Å; N222-T293 WeakPolarHBondContact OD1-CG2 3.43Å; N222-C295 PolarHBondContact OD1-SG 3.37Å; N222-C295 VanDerWaalsContact OD1-SG 3.37Å
223	V	96.9	Very high	95.4	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.006	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	103.5	177.4	179.1	0	0	0	0	109.1	V221 G225 T234 V275 L276 I279 Y292 T293 I294 C295	V221-V223 HydrophobicContact CG1-CG2 4.49Å; V223-G225 PolarHBondContact O-N 3.39Å; V223-G225 VanDerWaalsContact O-N 3.14Å; V223-T234 HydrophobicContact CG1-CG2 3.66Å; V223-V275 HydrophobicContact CB-CG1 4.48Å; V223-V275 HydrophobicContact CG1-CB 4.39Å; V223-V275 HydrophobicContact CG1-CG1 4.05Å; V223-V275 HydrophobicContact CG2-CG1 3.97Å; V223-L276 HydrophobicContact CG1-CD2 4.33Å; V223-L276 HydrophobicContact CG2-CD2 4.25Å; V223-I279 HydrophobicContact CG2-CD1 3.94Å; V223-Y292 HydrophobicContact CB-CD2 4.47Å; V223-Y292 HydrophobicContact CG2-CD2 3.68Å; V223-Y292 HydrophobicContact CG2-CG 4.04Å; V223-T293 PolarHBondContact N-O 3.15Å; V223-I294 HydrophobicContact CB-CD1 3.9Å; V223-I294 HydrophobicContact CG1-CD1 3.89Å; V223-C295 PolarHBondContact O-N 3.37Å
224	Y	95	Very high	95.5	Very high	92 Å²	92	52.3 Å²	52.3	36%	0.361	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	92.1	-173.2	-57.5	-66.2	0	0	0	112.8	N222 Y228 C295 R298	N222-Y224 HydrophobicContact CB-CE1 3.85Å; N222-Y224 HydrophobicContact CB-CE2 4.25Å; Y224-Y228 WeakPolarHBondContact O-CE2 3.48Å; Y224-C295 HydrophobicContact CD1-CB 3.8Å; Y224-C295 HydrophobicContact CE1-CB 4.21Å; Y224-R298 HydrophobicContact CD1-CB 4.32Å; Y224-R298 HydrophobicContact CD2-CB 4.41Å; Y224-R298 HydrophobicContact CG-CB 3.96Å
225	G	95.7	Very high	95.6	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.021	31%	0.307	C	S	.	.			trans	90.8	136.2	-179.7	0	0	0	0	0	113.4	V223 C295	V223-G225 PolarHBondContact O-N 3.39Å; V223-G225 VanDerWaalsContact O-N 3.14Å; G225-C295 PolarHBondContact N-O 3.03Å
226	N	97	Very high	95.8	Very high	89 Å²	89	50.7 Å²	50.7	48%	0.476	30%	0.296	S	S	.	.	S	Bend	trans	-133.8	18.8	178	71.3	-30.3	0	0	0	112.2	G233 I294	N226-G233 CarbonylContact C-O 3.21Å; N226-G233 WeakPolarHBondContact CA-O 3.2Å; N226-G233 WeakPolarHBondContact O-CA 3.36Å; N226-I294 HydrophobicContact CB-CD1 4.13Å; N226-I294 HydrophobicContact CB-CG1 4.42Å; N226-I294 HydrophobicContact CB-CG2 3.8Å; N226-I294 VanDerWaalsContact CG-CG2 3.46Å
227	D	97.5	Very high	96	Very high	93 Å²	93	49.2 Å²	49.2	50%	0.497	27%	0.271	S	S	.	.			trans	-127.9	14.3	-173.2	67.7	-36.2	0	0	0	111.9	G233 R297	D227-G233 PolarHBondContact N-O 3.28Å; D227-R297 VanDerWaalsContact C-NH2 3.3Å; D227-R297 VanDerWaalsContact CG-NE 3.33Å; D227-R297 PolarHBondContact O-NH2 2.87Å; D227-R297 IonicContact OD1-CZ 3.9Å; D227-R297 IonicContact OD1-NE 3.36Å; D227-R297 PolarHBondContact OD1-NE 2.96Å; D227-R297 IonicContact OD1-NH2 2.78Å; D227-R297 PolarHBondContact OD1-NH2 2.86Å; D227-R297 IonicContact OD2-CZ 2.8Å; D227-R297 IonicContact OD2-NE 2.69Å; D227-R297 PolarHBondContact OD2-NE 3.27Å; D227-R297 IonicContact OD2-NH2 2.8Å; D227-R297 PolarHBondContact OD2-NH2 3.15Å
228	Y	95.7	Very high	96.5	Very high	17 Å²	17	45.4 Å²	45.4	7%	0.067	25%	0.25	C	S	.	.	S	Bend	trans	-68	154.6	169.2	-64.4	-78.6	0	0	0	110.6	Y224 T230 G233 R297 A303	Y224-Y228 WeakPolarHBondContact O-CE2 3.48Å; Y228-T230 PolarHBondContact O-N 3.47Å; Y228-G233 WeakPolarHBondContact CB-O 3.41Å; Y228-G233 WeakPolarHBondContact CD2-O 3.38Å; Y228-G233 PolarHBondContact N-O 2.96Å; Y228-G233 WeakPolarHBondContact O-CA 3.48Å; Y228-R297 HydrophobicContact CE1-CG 4.28Å; Y228-R297 HydrophobicContact CE2-CG 4.03Å; Y228-R297 WeakPolarHBondContact OH-CG 3.27Å; Y228-A303 HydrophobicContact CD1-CB 3.73Å; Y228-A303 HydrophobicContact CG-CB 4.18Å
229	S	95.3	Very high	96.8	Very high	125 Å²	125	44.3 Å²	44.3	87%	0.874	24%	0.244	S	C	*	.	S	Bend	trans	-77	63.3	174.2	-176.7	0	0	0	0	111.3
230	T	97	Very high	97	Very high	29 Å²	29	39.9 Å²	39.9	18%	0.178	22%	0.216	C	C	.	.	S	Bend	trans	-129.1	175.6	-177.6	63.4	0	0	0	0	111	Y228 D232 G233 T234 V236 A303 T304	Y228-T230 PolarHBondContact O-N 3.47Å; T230-D232 PolarHBondContact O-N 2.96Å; T230-D232 VanDerWaalsContact O-N 3.11Å; T230-G233 PolarHBondContact O-N 3Å; T230-G233 VanDerWaalsContact OG1-C 3.26Å; T230-G233 WeakPolarHBondContact OG1-CA 3.34Å; T230-G233 PolarHBondContact OG1-N 3.05Å; T230-T234 WeakPolarHBondContact CB-O 3.29Å; T230-T234 WeakPolarHBondContact CG2-O 3.28Å; T230-T234 PolarHBondContact OG1-N 3.43Å; T230-T234 PolarHBondContact OG1-O 3.34Å; T230-V236 HydrophobicContact CG2-CG2 3.85Å; T230-A303 HydrophobicContact CG2-CB 4.12Å; T230-T304 WeakPolarHBondContact CG2-OG1 3.5Å
231	V	96.3	Very high	97	Very high	117 Å²	117	34.9 Å²	34.9	71%	0.709	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.1	-173.3	67.8	0	0	0	0	114.5
232	D	97.9	Very high	97.1	Very high	54 Å²	54	34.8 Å²	34.8	29%	0.289	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136	15.3	-179.4	63.8	15.5	0	0	0	113.4	T230 T234 S274 L276	T230-D232 PolarHBondContact O-N 2.96Å; T230-D232 VanDerWaalsContact O-N 3.11Å; D232-T234 PolarHBondContact O-N 3.06Å; D232-T234 WeakPolarHBondContact OD1-CB 3.38Å; D232-T234 PolarHBondContact OD1-N 3.17Å; D232-T234 PolarHBondContact OD1-OG1 3.22Å; D232-S274 WeakPolarHBondContact OD1-CB 3.2Å; D232-S274 WeakPolarHBondContact OD2-CB 3.22Å; D232-S274 PolarHBondContact OD2-OG 2.9Å; D232-L276 HydrophobicContact CB-CD1 4.23Å; D232-L276 WeakPolarHBondContact OD2-CB 3.29Å
233	G	97.8	Very high	97.3	Very high	10 Å²	10	33.9 Å²	33.9	10%	0.103	19%	0.191	C	C	.	.	S	Bend	trans	80.9	-10.9	-178.2	0	0	0	0	0	115.1	N226 D227 Y228 T230	N226-G233 CarbonylContact C-O 3.21Å; N226-G233 WeakPolarHBondContact CA-O 3.2Å; N226-G233 WeakPolarHBondContact O-CA 3.36Å; D227-G233 PolarHBondContact N-O 3.28Å; Y228-G233 WeakPolarHBondContact CB-O 3.41Å; Y228-G233 WeakPolarHBondContact CD2-O 3.38Å; Y228-G233 PolarHBondContact N-O 2.96Å; Y228-G233 WeakPolarHBondContact O-CA 3.48Å; T230-G233 PolarHBondContact O-N 3Å; T230-G233 VanDerWaalsContact OG1-C 3.26Å; T230-G233 WeakPolarHBondContact OG1-CA 3.34Å; T230-G233 PolarHBondContact OG1-N 3.05Å
234	T	98	Very high	97.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-96.3	163	-179	73.6	0	0	0	0	112.6	V223 T230 D232 V236 S274 V275 L276	V223-T234 HydrophobicContact CG1-CG2 3.66Å; T230-T234 WeakPolarHBondContact CB-O 3.29Å; T230-T234 WeakPolarHBondContact CG2-O 3.28Å; T230-T234 PolarHBondContact OG1-N 3.43Å; T230-T234 PolarHBondContact OG1-O 3.34Å; D232-T234 PolarHBondContact O-N 3.06Å; D232-T234 WeakPolarHBondContact OD1-CB 3.38Å; D232-T234 PolarHBondContact OD1-N 3.17Å; D232-T234 PolarHBondContact OD1-OG1 3.22Å; T234-V236 PolarHBondContact O-N 3.48Å; T234-S274 WeakPolarHBondContact OG1-CB 3.29Å; T234-V275 PolarHBondContact OG1-N 2.73Å; T234-L276 HydrophobicContact CG2-CD1 3.93Å; T234-L276 HydrophobicContact CG2-CD2 4.22Å; T234-L276 HydrophobicContact CG2-CG 3.71Å
235	G	96.5	Very high	97.6	Very high	8 Å²	8	29.4 Å²	29.4	8%	0.082	17%	0.174	C	C	.	.			trans	-61.3	135.5	-178.6	0	0	0	0	0	112.8	S274 V275 A303	G235-S274 CarbonylContact O-C 3.43Å; G235-S274 WeakPolarHBondContact O-CA 3.44Å; G235-V275 PolarHBondContact O-N 3.49Å; G235-V275 VanDerWaalsContact O-N 3.1Å; G235-A303 WeakPolarHBondContact CA-O 3.34Å
236	V	97.4	Very high	97.7	Very high	13 Å²	13	29.3 Å²	29.3	8%	0.079	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.2	179.2	175.9	0	0	0	0	110.4	T230 T234 Y273 A303 T304 V305	T230-V236 HydrophobicContact CG2-CG2 3.85Å; T234-V236 PolarHBondContact O-N 3.48Å; V236-Y273 CarbonylContact C-O 3.56Å; V236-Y273 VanDerWaalsContact CA-O 3.28Å; V236-Y273 WeakPolarHBondContact CA-O 3.22Å; V236-A303 PolarHBondContact N-O 2.76Å; V236-T304 HydrophobicContact CB-CG2 3.99Å; V236-T304 HydrophobicContact CG1-CG2 3.89Å; V236-T304 WeakPolarHBondContact O-CA 3.17Å; V236-V305 PolarHBondContact O-N 2.81Å
237	R	97.6	Very high	97.8	Very high	34 Å²	34	26.8 Å²	26.8	13%	0.128	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.8	-179.9	-60.4	-65.7	179.1	-87.3	-0.1	111.2	N185 Y239 G272 Y273 D301 C302 A303 V305	N185-R237 HydrophobicContact CB-CB 4.47Å; R237-Y239 HydrophobicContact CB-CD2 4.28Å; R237-Y239 HydrophobicContact CB-CE1 4.48Å; R237-Y239 HydrophobicContact CB-CE2 3.75Å; R237-Y239 VanDerWaalsContact O-CD2 3.29Å; R237-Y239 WeakPolarHBondContact O-CD2 3.16Å; R237-Y239 PolarHBondContact O-N 2.92Å; R237-G272 WeakPolarHBondContact O-CA 3.49Å; R237-Y273 PolarHBondContact N-O 2.7Å; R237-Y273 PolarHBondContact O-N 2.76Å; R237-D301 IonicContact NH2-OD1 3.33Å; R237-C302 VanDerWaalsContact CZ-O 3.26Å; R237-C302 PolarHBondContact NH1-O 3.26Å; R237-C302 PolarHBondContact NH2-O 3.23Å; R237-A303 PolarHBondContact NH1-O 3.36Å; R237-V305 CarbonylContact C-O 3.25Å; R237-V305 WeakPolarHBondContact CA-O 3.48Å
238	D	98.1	Very high	97.8	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	100	170.1	-176	-13.4	0	0	0	110	F184 N185 T269 G270 Q271 V305 S307	F184-D238 HydrophobicContact CB-CB 4.07Å; F184-D238 VanDerWaalsContact CB-O 3.32Å; F184-D238 WeakPolarHBondContact CB-O 3.48Å; F184-D238 HydrophobicContact CD1-CB 3.76Å; F184-D238 HydrophobicContact CG-CB 4.14Å; N185-D238 WeakPolarHBondContact CB-O 3.01Å; N185-D238 PolarHBondContact N-O 2.79Å; D238-T269 WeakPolarHBondContact OD1-CB 3.41Å; D238-T269 PolarHBondContact OD1-N 3.32Å; D238-T269 PolarHBondContact OD1-OG1 3.44Å; D238-T269 PolarHBondContact OD2-N 3.11Å; D238-G270 PolarHBondContact OD2-N 3.4Å; D238-Q271 WeakPolarHBondContact CA-O 3.36Å; D238-V305 PolarHBondContact N-O 3.11Å; D238-V305 VanDerWaalsContact N-O 3.08Å; D238-S307 WeakPolarHBondContact OD2-CB 3.43Å; D238-S307 PolarHBondContact OD2-N 3.31Å; D238-S307 PolarHBondContact OD2-OG 2.97Å
239	Y	98.4	Very high	98	Very high	10 Å²	10	21.6 Å²	21.6	4%	0.039	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	133	177.1	-64.1	-83.5	0	0	0	109.7	N185 V187 L206 R237 T269 Y273 M278 M327	N185-Y239 HydrophobicContact CB-CD1 3.75Å; N185-Y239 HydrophobicContact CB-CE1 4.06Å; N185-Y239 HydrophobicContact CB-CG 4.39Å; N185-Y239 VanDerWaalsContact O-CA 3.31Å; N185-Y239 WeakPolarHBondContact O-CA 3.16Å; V187-Y239 HydrophobicContact CG1-CD1 3.62Å; V187-Y239 HydrophobicContact CG1-CE1 4.28Å; V187-Y239 HydrophobicContact CG2-CD1 4.43Å; L206-Y239 VanDerWaalsContact CD2-OH 3.22Å; L206-Y239 WeakPolarHBondContact CD2-OH 3.44Å; R237-Y239 HydrophobicContact CB-CD2 4.28Å; R237-Y239 HydrophobicContact CB-CE1 4.48Å; R237-Y239 HydrophobicContact CB-CE2 3.75Å; R237-Y239 VanDerWaalsContact O-CD2 3.29Å; R237-Y239 WeakPolarHBondContact O-CD2 3.16Å; R237-Y239 PolarHBondContact O-N 2.92Å; Y239-T269 WeakPolarHBondContact O-CG2 3.46Å; Y239-Y273 HydrophobicContact CD2-CD2 4.33Å; Y239-M278 HydrophobicContact CD1-CE 4.23Å; Y239-M278 HydrophobicContact CD1-SD 4.26Å; Y239-M278 HydrophobicContact CD2-CE 4.37Å; Y239-M278 HydrophobicContact CD2-CG 3.78Å; Y239-M278 HydrophobicContact CD2-SD 3.39Å; Y239-M278 WeakPolarHBondContact CD2-SD 3.35Å; Y239-M278 HydrophobicContact CE1-CG 4.21Å; Y239-M278 HydrophobicContact CE1-SD 4.45Å; Y239-M278 HydrophobicContact CE2-CG 3.31Å; Y239-M278 HydrophobicContact CE2-SD 3.64Å; Y239-M278 HydrophobicContact CG-CE 4.12Å; Y239-M278 HydrophobicContact CG-CG 4.39Å; Y239-M278 HydrophobicContact CG-SD 3.71Å; Y239-M327 WeakPolarHBondContact O-CE 3.16Å
240	I	98.7	Very high	98.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	138.7	-177.3	178.8	169.3	0	0	0	109.9	N185 P186 V187 V242 D244 L245 T269 W318 A320	N185-I240 PolarHBondContact O-N 3.37Å; P186-I240 CarbonylContact C-O 3.57Å; P186-I240 VanDerWaalsContact CA-O 3.25Å; P186-I240 WeakPolarHBondContact CA-O 3.17Å; P186-I240 HydrophobicContact CB-CG2 4.42Å; V187-I240 PolarHBondContact N-O 3.02Å; I240-V242 PolarHBondContact O-N 3.24Å; I240-D244 HydrophobicContact CG1-CB 4.31Å; I240-L245 HydrophobicContact CD1-CB 4.39Å; I240-T269 HydrophobicContact CB-CG2 4.22Å; I240-T269 HydrophobicContact CG1-CG2 4.45Å; I240-W318 HydrophobicContact CD1-CH2 3.53Å; I240-W318 HydrophobicContact CD1-CZ2 3.7Å; I240-A320 HydrophobicContact CD1-CB 4.17Å; I240-A320 HydrophobicContact CG1-CB 4.23Å
241	H	98.8	Very high	98.1	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	133.1	177.4	-163.4	-79.8	0	0	0	110.7	V187 A189 V243 D244 L245 Y322 M327 D330	V187-H241 CarbonylContact O-C 3.02Å; V187-H241 WeakPolarHBondContact O-CA 3.25Å; A189-H241 PolarHBondContact O-CE1 2.79Å; A189-H241 VanDerWaalsContact O-CE1 3.22Å; H241-V243 WeakPolarHBondContact ND1-CB 3.37Å; H241-V243 PolarHBondContact ND1-N 3.22Å; H241-V243 VanDerWaalsContact ND1-N 3.15Å; H241-V243 PolarHBondContact O-N 3.31Å; H241-D244 HydrophobicContact CB-CB 4.34Å; H241-D244 WeakPolarHBondContact O-CB 3.17Å; H241-D244 PolarHBondContact O-N 3.09Å; H241-L245 PolarHBondContact O-N 2.85Å; H241-Y322 HydrophobicContact CB-CD2 3.82Å; H241-Y322 HydrophobicContact CB-CG 4.21Å; H241-Y322 AromaticContact CG-CD2 3.63Å; H241-Y322 AromaticContact ND1-CD2 3.74Å; H241-M327 HydrophobicContact CB-CE 4.35Å; H241-M327 HydrophobicContact CB-CG 3.85Å; H241-D330 IonicContact CE1-OD2 2.69Å; H241-D330 IonicContact NE2-OD2 3.43Å; H241-D330 PolarHBondContact NE2-OD2 3.13Å
242	V	98.7	Very high	98.2	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-61.2	-30.6	-176.1	65.2	0	0	0	0	112.6	F17 I18 H21 V187 I240 L245 A246	F17-V242 HydrophobicContact CD2-CG2 4.2Å; F17-V242 HydrophobicContact CE1-CB 4.28Å; F17-V242 HydrophobicContact CE1-CG2 4.14Å; F17-V242 HydrophobicContact CE2-CB 3.91Å; F17-V242 HydrophobicContact CE2-CG1 3.79Å; F17-V242 HydrophobicContact CE2-CG2 3.73Å; F17-V242 HydrophobicContact CZ-CB 3.59Å; F17-V242 HydrophobicContact CZ-CG1 3.83Å; F17-V242 HydrophobicContact CZ-CG2 3.7Å; I18-V242 HydrophobicContact CG1-CG2 4.46Å; H21-V242 HydrophobicContact CB-CG2 4.03Å; H21-V242 VanDerWaalsContact CD2-CG1 3.49Å; H21-V242 WeakPolarHBondContact CD2-CG1 3.26Å; V187-V242 PolarHBondContact O-N 2.9Å; I240-V242 PolarHBondContact O-N 3.24Å; V242-L245 PolarHBondContact O-N 2.87Å; V242-A246 WeakPolarHBondContact O-CB 3.26Å; V242-A246 PolarHBondContact O-N 2.89Å
243	V	98.7	Very high	98.2	Very high	17 Å²	17	8.9 Å²	8.9	10%	0.103	5%	0.046	C	C	.	.	H	α-helix	trans	-70.6	-40	173.7	179.6	0	0	0	0	111.9	H241 L245 A246 E247 Y322	H241-V243 WeakPolarHBondContact ND1-CB 3.37Å; H241-V243 PolarHBondContact ND1-N 3.22Å; H241-V243 VanDerWaalsContact ND1-N 3.15Å; H241-V243 PolarHBondContact O-N 3.31Å; V243-L245 VanDerWaalsContact C-N 3.26Å; V243-L245 PolarHBondContact O-N 3.33Å; V243-A246 PolarHBondContact O-N 3.1Å; V243-E247 PolarHBondContact O-N 3.07Å; V243-Y322 HydrophobicContact CB-CE2 4.31Å; V243-Y322 HydrophobicContact CG1-CE2 4.3Å
244	D	98.7	Very high	98.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.1	-41.9	172.3	-77.1	-37.9	0	0	0	110.1	I240 H241 E247 A248 W318 A320 K321 Y322	I240-D244 HydrophobicContact CG1-CB 4.31Å; H241-D244 HydrophobicContact CB-CB 4.34Å; H241-D244 WeakPolarHBondContact O-CB 3.17Å; H241-D244 PolarHBondContact O-N 3.09Å; D244-E247 PolarHBondContact O-N 3.22Å; D244-A248 PolarHBondContact O-N 2.95Å; D244-W318 HydrophobicContact CB-CZ2 4.32Å; D244-W318 PolarHBondContact O-NE1 3.19Å; D244-A320 HydrophobicContact CB-CB 4.12Å; D244-K321 PolarHBondContact OD1-N 3.2Å; D244-K321 VanDerWaalsContact OD1-N 3.14Å; D244-K321 PolarHBondContact OD2-N 3.32Å; D244-Y322 WeakPolarHBondContact OD1-CD2 3.38Å; D244-Y322 WeakPolarHBondContact OD2-CD2 3.31Å; D244-Y322 PolarHBondContact OD2-N 3.01Å
245	L	98.8	Very high	98.1	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-63.9	-42.3	176.3	-179.2	59	0	0	0	112.3	I18 Y183 P186 I240 H241 V242 V243 E247 A248 H249 L267	I18-L245 HydrophobicContact CD1-CD2 3.99Å; I18-L245 HydrophobicContact CG1-CD2 4.27Å; I18-L245 HydrophobicContact CG2-CD2 3.78Å; I18-L245 HydrophobicContact CG2-CG 4.13Å; Y183-L245 HydrophobicContact CD1-CD1 3.45Å; Y183-L245 VanDerWaalsContact CD1-CD1 3.45Å; Y183-L245 HydrophobicContact CD1-CD2 4.2Å; Y183-L245 HydrophobicContact CD1-CG 4.38Å; Y183-L245 HydrophobicContact CD2-CD2 4.1Å; Y183-L245 HydrophobicContact CE1-CD1 3.69Å; Y183-L245 HydrophobicContact CE1-CG 4.5Å; Y183-L245 HydrophobicContact CG-CD1 4.05Å; Y183-L245 HydrophobicContact CG-CD2 3.97Å; P186-L245 HydrophobicContact CB-CD2 3.74Å; P186-L245 HydrophobicContact CG-CD2 4.1Å; I240-L245 HydrophobicContact CD1-CB 4.39Å; H241-L245 PolarHBondContact O-N 2.85Å; V242-L245 PolarHBondContact O-N 2.87Å; V243-L245 VanDerWaalsContact C-N 3.26Å; V243-L245 PolarHBondContact O-N 3.33Å; L245-E247 VanDerWaalsContact C-N 3.35Å; L245-A248 VanDerWaalsContact O-CB 3.31Å; L245-A248 WeakPolarHBondContact O-CB 3.12Å; L245-A248 PolarHBondContact O-N 3.04Å; L245-H249 PolarHBondContact O-CE1 3.13Å; L245-H249 PolarHBondContact O-ND1 2.9Å; L245-L267 HydrophobicContact CD1-CB 3.85Å; L245-L267 HydrophobicContact CD1-CD1 3.45Å; L245-L267 VanDerWaalsContact CD1-CD1 3.45Å; L245-L267 HydrophobicContact CD1-CG 4.34Å
246	A	98.7	Very high	98.1	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.7	-41	175	0	0	0	0	0	111.7	H21 E25 V242 V243 A248 H249	H21-A246 HydrophobicContact CB-CB 3.96Å; E25-A246 HydrophobicContact CB-CB 4.26Å; E25-A246 HydrophobicContact CG-CB 3.63Å; V242-A246 WeakPolarHBondContact O-CB 3.26Å; V242-A246 PolarHBondContact O-N 2.89Å; V243-A246 PolarHBondContact O-N 3.1Å; A246-A248 VanDerWaalsContact C-N 3.28Å; A246-A248 PolarHBondContact O-N 3.46Å; A246-H249 WeakPolarHBondContact O-CB 3.41Å; A246-H249 PolarHBondContact O-N 3.01Å; A246-H249 VanDerWaalsContact O-N 3.16Å
247	E	98.4	Very high	97.9	Very high	36 Å²	36	15 Å²	15	17%	0.168	7%	0.069	C	C	.	.	H	α-helix	trans	-58.5	-40.5	175.2	-175.2	-179	172.9	0	0	111.3	V243 D244 L245 H249 T250 K251 K321	V243-E247 PolarHBondContact O-N 3.07Å; D244-E247 PolarHBondContact O-N 3.22Å; L245-E247 VanDerWaalsContact C-N 3.35Å; E247-H249 PolarHBondContact O-N 2.9Å; E247-H249 VanDerWaalsContact O-N 3.13Å; E247-T250 PolarHBondContact O-N 3.28Å; E247-T250 PolarHBondContact O-OG1 3.46Å; E247-K251 PolarHBondContact O-N 3.21Å; E247-K321 IonicContact OE1-NZ 3.54Å; E247-K321 PolarHBondContact OE1-NZ 3.5Å; E247-K321 IonicContact OE2-NZ 2.71Å; E247-K321 PolarHBondContact OE2-NZ 3.29Å
248	A	98.6	Very high	97.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.1	-30.6	179.6	0	0	0	0	0	113.3	D244 L245 A246 K251 S252 L267 W318	D244-A248 PolarHBondContact O-N 2.95Å; L245-A248 VanDerWaalsContact O-CB 3.31Å; L245-A248 WeakPolarHBondContact O-CB 3.12Å; L245-A248 PolarHBondContact O-N 3.04Å; A246-A248 VanDerWaalsContact C-N 3.28Å; A246-A248 PolarHBondContact O-N 3.46Å; A248-K251 PolarHBondContact O-N 3.39Å; A248-S252 WeakPolarHBondContact O-CB 3.37Å; A248-S252 PolarHBondContact O-N 3.36Å; A248-S252 PolarHBondContact O-OG 2.91Å; A248-L267 HydrophobicContact CB-CD1 3.48Å; A248-L267 VanDerWaalsContact CB-CD1 3.48Å; A248-L267 HydrophobicContact CB-CD2 3.99Å; A248-L267 HydrophobicContact CB-CG 4.4Å; A248-W318 HydrophobicContact CB-CD2 3.92Å; A248-W318 HydrophobicContact CB-CG 4.01Å; A248-W318 HydrophobicContact CB-CZ2 4.17Å
249	H	98.6	Very high	97.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.4	-40.9	177.4	-69.9	77.3	0	0	0	112	T22 I84 F86 Y183 L245 A246 E247 K251 S252 L253	T22-H249 HydrophobicContact CG2-CB 3.58Å; I84-H249 HydrophobicContact CD1-CB 4.09Å; F86-H249 AromaticContact CE1-CE1 3.71Å; F86-H249 AromaticContact CE1-NE2 3.24Å; F86-H249 WeakPolarHBondContact CE1-NE2 3.41Å; F86-H249 AromaticContact CZ-CD2 3.5Å; F86-H249 VanDerWaalsContact CZ-CD2 3.5Å; F86-H249 WeakPolarHBondContact CZ-CD2 3.48Å; F86-H249 AromaticContact CZ-CE1 3.77Å; F86-H249 AromaticContact CZ-NE2 3.21Å; F86-H249 WeakPolarHBondContact CZ-NE2 3.46Å; Y183-H249 AromaticContact CE1-CE1 3.84Å; Y183-H249 AromaticContact CZ-CE1 3.65Å; Y183-H249 AromaticContact CZ-NE2 3.58Å; Y183-H249 PolarHBondContact OH-CE1 3.11Å; Y183-H249 VanDerWaalsContact OH-CE1 3.24Å; Y183-H249 PolarHBondContact OH-NE2 3.13Å; L245-H249 PolarHBondContact O-CE1 3.13Å; L245-H249 PolarHBondContact O-ND1 2.9Å; A246-H249 WeakPolarHBondContact O-CB 3.41Å; A246-H249 PolarHBondContact O-N 3.01Å; A246-H249 VanDerWaalsContact O-N 3.16Å; E247-H249 PolarHBondContact O-N 2.9Å; E247-H249 VanDerWaalsContact O-N 3.13Å; H249-K251 VanDerWaalsContact C-N 3.31Å; H249-K251 PolarHBondContact O-N 3.31Å; H249-S252 WeakPolarHBondContact O-CB 3.38Å; H249-S252 PolarHBondContact O-N 2.83Å; H249-S252 VanDerWaalsContact O-N 3.16Å; H249-L253 PolarHBondContact O-N 3.15Å
250	T	97.4	Very high	97.5	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-63.1	-41.6	176.2	71.2	0	0	0	0	110.7	E25 L26 N29 E247 S252 L253 D254	E25-T250 HydrophobicContact CB-CG2 3.81Å; L26-T250 HydrophobicContact CD2-CG2 4.13Å; L26-T250 HydrophobicContact CG-CG2 4.44Å; N29-T250 HydrophobicContact CB-CG2 4.35Å; E247-T250 PolarHBondContact O-N 3.28Å; E247-T250 PolarHBondContact O-OG1 3.46Å; T250-S252 VanDerWaalsContact C-N 3.32Å; T250-S252 PolarHBondContact O-N 3.39Å; T250-L253 PolarHBondContact O-N 2.88Å; T250-D254 PolarHBondContact O-N 3.23Å
251	K	98	Very high	97.5	Very high	57 Å²	57	26.3 Å²	26.3	25%	0.248	13%	0.131	C	C	.	.	H	α-helix	trans	-64.4	-36.1	173.6	-57	-59.3	-179	-173.4	0	112.5	E247 A248 H249 D254 K255 L316 W318	E247-K251 PolarHBondContact O-N 3.21Å; A248-K251 PolarHBondContact O-N 3.39Å; H249-K251 VanDerWaalsContact C-N 3.31Å; H249-K251 PolarHBondContact O-N 3.31Å; K251-D254 PolarHBondContact O-N 2.95Å; K251-K255 PolarHBondContact O-N 3.47Å; K251-L316 HydrophobicContact CB-CB 4.14Å; K251-W318 HydrophobicContact CG-CB 4.22Å
252	S	98.4	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.6	-39	175.6	-62.4	0	0	0	0	111.7	I179 A248 H249 T250 K255 V256	I179-S252 WeakPolarHBondContact CD1-O 3.42Å; A248-S252 WeakPolarHBondContact O-CB 3.37Å; A248-S252 PolarHBondContact O-N 3.36Å; A248-S252 PolarHBondContact O-OG 2.91Å; H249-S252 WeakPolarHBondContact O-CB 3.38Å; H249-S252 PolarHBondContact O-N 2.83Å; H249-S252 VanDerWaalsContact O-N 3.16Å; T250-S252 VanDerWaalsContact C-N 3.32Å; T250-S252 PolarHBondContact O-N 3.39Å; S252-K255 WeakPolarHBondContact O-CB 3.3Å; S252-K255 PolarHBondContact O-N 3.38Å; S252-V256 WeakPolarHBondContact O-CG2 3.45Å; S252-V256 PolarHBondContact O-N 2.81Å
253	L	98	Very high	97.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-39	174	-64.2	-169.1	0	0	0	112.5	V9 L26 Y31 Y82 I84 V126 H249 T250 K255 V256 K257	V9-L253 HydrophobicContact CG1-CD1 4.27Å; V9-L253 HydrophobicContact CG2-CD1 3.62Å; L26-L253 HydrophobicContact CD2-CD1 3.45Å; L26-L253 VanDerWaalsContact CD2-CD1 3.45Å; L26-L253 HydrophobicContact CD2-CG 4.46Å; Y31-L253 HydrophobicContact CD1-CD1 4.07Å; Y31-L253 HydrophobicContact CD2-CD1 4.48Å; Y31-L253 HydrophobicContact CE1-CB 4.32Å; Y31-L253 HydrophobicContact CE1-CD1 3.78Å; Y31-L253 HydrophobicContact CE2-CD1 4.22Å; Y31-L253 HydrophobicContact CG-CD1 4.42Å; Y82-L253 HydrophobicContact CD1-CD2 3.93Å; Y82-L253 HydrophobicContact CG-CD1 4.37Å; Y82-L253 HydrophobicContact CG-CD2 4.02Å; I84-L253 HydrophobicContact CD1-CD1 4.25Å; I84-L253 HydrophobicContact CD1-CD2 4.21Å; I84-L253 HydrophobicContact CD1-CG 4.28Å; I84-L253 HydrophobicContact CG1-CD2 4.21Å; V126-L253 HydrophobicContact CG2-CD2 3.85Å; H249-L253 PolarHBondContact O-N 3.15Å; T250-L253 PolarHBondContact O-N 2.88Å; L253-K255 VanDerWaalsContact C-N 3.25Å; L253-K255 PolarHBondContact O-N 3.31Å; L253-V256 PolarHBondContact O-N 3.5Å; L253-K257 WeakPolarHBondContact O-CG 3.34Å; L253-K257 PolarHBondContact O-N 3.24Å; L253-K257 VanDerWaalsContact O-N 3.12Å
254	D	95.7	Very high	97.4	Very high	53 Å²	53	32 Å²	32	28%	0.283	16%	0.156	S	C	.	.	H	α-helix	trans	-63	-33.7	174.6	-67	-17.7	0	0	0	111.7	Y31 T250 K251 Q258	Y31-D254 PolarHBondContact OH-OD1 3.47Å; T250-D254 PolarHBondContact O-N 3.23Å; K251-D254 PolarHBondContact O-N 2.95Å; D254-Q258 WeakPolarHBondContact O-CG 3.36Å; D254-Q258 PolarHBondContact O-NE2 2.79Å
255	K	97.4	Very high	97.5	Very high	31 Å²	31	32 Å²	32	14%	0.135	16%	0.156	C	C	.	.	H	α-helix	trans	-73.8	-42.5	175.3	-174.5	66.8	168.1	-156	0	112.8	I179 K251 S252 L253 K257 Q258 C260 E315 L316	I179-K255 HydrophobicContact CD1-CB 3.81Å; I179-K255 HydrophobicContact CD1-CG 3.87Å; K251-K255 PolarHBondContact O-N 3.47Å; S252-K255 WeakPolarHBondContact O-CB 3.3Å; S252-K255 PolarHBondContact O-N 3.38Å; L253-K255 VanDerWaalsContact C-N 3.25Å; L253-K255 PolarHBondContact O-N 3.31Å; K255-K257 VanDerWaalsContact C-N 3.25Å; K255-K257 PolarHBondContact O-N 3.42Å; K255-Q258 WeakPolarHBondContact O-CB 3.41Å; K255-Q258 PolarHBondContact O-N 3.11Å; K255-C260 HydrophobicContact CD-CB 4.29Å; K255-C260 HydrophobicContact CG-CB 3.89Å; K255-E315 WeakPolarHBondContact CE-OE2 3.34Å; K255-E315 PolarHBondContact NZ-O 2.84Å; K255-E315 IonicContact NZ-OE2 3.67Å; K255-E315 PolarHBondContact NZ-OE2 3.29Å; K255-L316 HydrophobicContact CB-CD2 3.59Å; K255-L316 HydrophobicContact CD-CD2 4.26Å; K255-L316 HydrophobicContact CG-CD2 3.7Å
256	V	97.1	Very high	97.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-39.1	176.6	160.1	0	0	0	0	111.4	Y82 N124 V126 N177 I179 S252 L253 Q258 N259	Y82-V256 HydrophobicContact CD1-CG1 4.22Å; Y82-V256 HydrophobicContact CE1-CG1 4.33Å; N124-V256 HydrophobicContact CB-CG1 3.4Å; N124-V256 VanDerWaalsContact CG-CG1 3.47Å; N124-V256 WeakPolarHBondContact OD1-CG1 3.41Å; V126-V256 HydrophobicContact CG2-CG2 4.36Å; N177-V256 HydrophobicContact CB-CB 4.35Å; N177-V256 HydrophobicContact CB-CG1 3.71Å; N177-V256 HydrophobicContact CB-CG2 4.46Å; N177-V256 PolarHBondContact ND2-O 3.21Å; I179-V256 HydrophobicContact CD1-CG2 3.66Å; I179-V256 HydrophobicContact CG1-CG2 3.71Å; S252-V256 WeakPolarHBondContact O-CG2 3.45Å; S252-V256 PolarHBondContact O-N 2.81Å; L253-V256 PolarHBondContact O-N 3.5Å; V256-Q258 PolarHBondContact O-N 2.65Å; V256-Q258 VanDerWaalsContact O-N 3.11Å; V256-N259 PolarHBondContact O-N 2.97Å
257	K	93.3	Very high	97.5	Very high	76 Å²	76	32 Å²	32	33%	0.33	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-19	173.6	-75.8	170.6	171.3	175.9	0	114.8	K6 Y31 Y82 L253 K255 N259	K6-K257 PolarHBondContact O-NZ 2.87Å; Y31-K257 PolarHBondContact OH-NZ 3.04Å; Y82-K257 HydrophobicContact CE1-CG 3.84Å; Y82-K257 WeakPolarHBondContact OH-CE 3.49Å; Y82-K257 WeakPolarHBondContact OH-CG 3.43Å; L253-K257 WeakPolarHBondContact O-CG 3.34Å; L253-K257 PolarHBondContact O-N 3.24Å; L253-K257 VanDerWaalsContact O-N 3.12Å; K255-K257 VanDerWaalsContact C-N 3.25Å; K255-K257 PolarHBondContact O-N 3.42Å; K257-N259 VanDerWaalsContact C-N 3.31Å
258	Q	95	Very high	97.4	Very high	130 Å²	130	30.3 Å²	30.3	61%	0.607	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	15.7	-178.6	-60.2	170.5	11.5	0	0	113	D254 K255 V256	D254-Q258 WeakPolarHBondContact O-CG 3.36Å; D254-Q258 PolarHBondContact O-NE2 2.79Å; K255-Q258 WeakPolarHBondContact O-CB 3.41Å; K255-Q258 PolarHBondContact O-N 3.11Å; V256-Q258 PolarHBondContact O-N 2.65Å; V256-Q258 VanDerWaalsContact O-N 3.11Å
259	N	93.4	Very high	97.4	Very high	128 Å²	128	32.4 Å²	32.4	68%	0.684	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.7	50.9	-175.4	-60	-48.7	0	0	0	112.9	N177 V256 K257 G261	N177-N259 PolarHBondContact ND2-OD1 3.11Å; N177-N259 WeakPolarHBondContact OD1-CA 3.42Å; V256-N259 PolarHBondContact O-N 2.97Å; K257-N259 VanDerWaalsContact C-N 3.31Å; N259-G261 PolarHBondContact O-N 3.36Å
260	C	97.1	Very high	97.4	Very high	20 Å²	20	33.8 Å²	33.8	14%	0.135	18%	0.176	C	C	.	.			trans	-70.5	-9.7	-170.5	66.8	0	0	0	0	115.3	N177 K255 K263	N177-C260 PolarHBondContact OD1-N 2.95Å; K255-C260 HydrophobicContact CD-CB 4.29Å; K255-C260 HydrophobicContact CG-CB 3.89Å; C260-K263 HydrophobicContact CB-CG 4.16Å
261	G	98.2	Very high	97.4	Very high	4 Å²	4	38.7 Å²	38.7	4%	0.041	20%	0.198	C	C	.	.			trans	64.4	-143.1	-170.6	0	0	0	0	0	111.7	N177 I178 N259	N177-G261 PolarHBondContact OD1-N 2.92Å; I178-G261 PolarHBondContact N-O 2.67Å; I178-G261 VanDerWaalsContact O-O 3.07Å; N259-G261 PolarHBondContact O-N 3.36Å
262	F	98.4	Very high	97.3	Very high	48 Å²	48	36.6 Å²	36.6	21%	0.211	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	119	175.7	-174.6	-92	0	0	0	111.8	L166 K167 Y170 I178 V264	L166-F262 HydrophobicContact CB-CE2 3.92Å; K167-F262 HydrophobicContact CB-CE1 4.35Å; K167-F262 HydrophobicContact CB-CE2 4.15Å; K167-F262 HydrophobicContact CB-CZ 4.03Å; Y170-F262 HydrophobicContact CD1-CB 3.58Å; Y170-F262 HydrophobicContact CD2-CB 4.39Å; Y170-F262 HydrophobicContact CE1-CB 4.1Å; Y170-F262 HydrophobicContact CG-CB 3.74Å; I178-F262 HydrophobicContact CB-CD2 3.93Å; I178-F262 HydrophobicContact CG2-CD2 3.77Å; I178-F262 HydrophobicContact CG2-CE2 3.93Å; I178-F262 CarbonylContact O-C 3.56Å; I178-F262 WeakPolarHBondContact O-CA 3.17Å; F262-V264 HydrophobicContact CD1-CG2 4.36Å; F262-V264 HydrophobicContact CE1-CG2 3.57Å; F262-V264 HydrophobicContact CZ-CG2 4.04Å
263	K	98.6	Very high	97.3	Very high	63 Å²	63	38.8 Å²	38.8	27%	0.274	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	152.2	179.2	-66.3	-70.3	-173.4	148.6	0	111.5	I178 I179 S180 C260 Y265 E315	I178-K263 PolarHBondContact O-N 3.23Å; I179-K263 CarbonylContact C-O 3.57Å; I179-K263 WeakPolarHBondContact CA-O 3.35Å; I179-K263 HydrophobicContact CG1-CB 4.29Å; S180-K263 PolarHBondContact N-O 3.49Å; C260-K263 HydrophobicContact CB-CG 4.16Å; K263-Y265 HydrophobicContact CB-CE2 3.71Å; K263-E315 IonicContact NZ-OE1 2.85Å; K263-E315 PolarHBondContact NZ-OE1 2.75Å; K263-E315 VanDerWaalsContact NZ-OE1 3.1Å; K263-E315 IonicContact NZ-OE2 2.72Å; K263-E315 PolarHBondContact NZ-OE2 2.98Å
264	V	98.7	Very high	97.3	Very high	25 Å²	25	38.8 Å²	38.8	15%	0.152	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	136.7	177.5	-175.8	0	0	0	0	108.5	E144 S180 R182 F262	E144-V264 HydrophobicContact CG-CG1 4.44Å; S180-V264 CarbonylContact O-C 3.42Å; S180-V264 VanDerWaalsContact O-CA 3.28Å; S180-V264 WeakPolarHBondContact O-CA 3.38Å; R182-V264 HydrophobicContact CG-CG1 4.22Å; R182-V264 VanDerWaalsContact CZ-CG1 3.48Å; F262-V264 HydrophobicContact CD1-CG2 4.36Å; F262-V264 HydrophobicContact CE1-CG2 3.57Å; F262-V264 HydrophobicContact CZ-CG2 4.04Å
265	Y	98.8	Very high	97.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139	176.8	-56.5	-74.9	0	0	0	111.5	E144 I179 S180 L181 R182 K263 L311 A312 E315 L316	E144-Y265 WeakPolarHBondContact OE1-CA 3.42Å; I179-Y265 HydrophobicContact CD1-CE2 4.25Å; I179-Y265 HydrophobicContact CG2-CD2 3.65Å; I179-Y265 HydrophobicContact CG2-CE2 3.83Å; S180-Y265 PolarHBondContact O-N 3.1Å; L181-Y265 HydrophobicContact CD2-CD2 3.99Å; R182-Y265 PolarHBondContact N-O 3.35Å; K263-Y265 HydrophobicContact CB-CE2 3.71Å; Y265-L311 HydrophobicContact CD1-CB 4.39Å; Y265-L311 HydrophobicContact CD1-CD2 3.97Å; Y265-L311 HydrophobicContact CD1-CG 3.83Å; Y265-L311 HydrophobicContact CE1-CD2 4.12Å; Y265-L311 HydrophobicContact CE1-CG 3.85Å; Y265-A312 HydrophobicContact CD1-CB 4.38Å; Y265-E315 HydrophobicContact CE1-CB 3.77Å; Y265-E315 HydrophobicContact CE1-CG 4.34Å; Y265-E315 PolarHBondContact OH-OE2 2.89Å; Y265-E315 VanDerWaalsContact OH-OE2 3.11Å; Y265-L316 HydrophobicContact CD1-CD1 4.47Å; Y265-L316 HydrophobicContact CD2-CD1 3.8Å; Y265-L316 HydrophobicContact CD2-CD2 4.43Å; Y265-L316 HydrophobicContact CD2-CG 4.34Å; Y265-L316 HydrophobicContact CE1-CG 4.35Å; Y265-L316 HydrophobicContact CE2-CD1 4.03Å; Y265-L316 HydrophobicContact CE2-CD2 3.81Å; Y265-L316 HydrophobicContact CE2-CG 4.11Å; Y265-L316 HydrophobicContact CG-CD1 4.04Å
266	N	98.8	Very high	97.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	130.5	165.2	-74.9	-26.3	0	0	0	109.9	Y134 L142 E144 F184	Y134-N266 WeakPolarHBondContact CE2-OD1 3.46Å; Y134-N266 VanDerWaalsContact OH-CG 3.23Å; Y134-N266 PolarHBondContact OH-ND2 3.1Å; Y134-N266 VanDerWaalsContact OH-ND2 3.14Å; Y134-N266 PolarHBondContact OH-OD1 3.4Å; L142-N266 PolarHBondContact O-ND2 2.86Å; E144-N266 PolarHBondContact N-ND2 3.33Å; E144-N266 PolarHBondContact OE1-N 3.2Å; F184-N266 HydrophobicContact CE2-CB 3.96Å
267	L	98.8	Very high	97.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	97.8	175.3	-57.2	-173.3	0	0	0	109.8	L181 R182 Y183 F184 L245 A248 A312 W318	L181-L267 HydrophobicContact CB-CD1 3.82Å; L181-L267 HydrophobicContact CB-CG 4.36Å; L181-L267 HydrophobicContact CD1-CD1 3.89Å; L181-L267 HydrophobicContact CD2-CD1 3.96Å; L181-L267 HydrophobicContact CD2-CD2 4.48Å; L181-L267 HydrophobicContact CD2-CG 4.31Å; L181-L267 HydrophobicContact CG-CD1 4.1Å; R182-L267 PolarHBondContact O-N 2.5Å; Y183-L267 HydrophobicContact CD1-CB 4.32Å; Y183-L267 HydrophobicContact CD1-CD1 3.98Å; Y183-L267 HydrophobicContact CE1-CD1 3.9Å; F184-L267 PolarHBondContact N-O 3.04Å; L245-L267 HydrophobicContact CD1-CB 3.85Å; L245-L267 HydrophobicContact CD1-CD1 3.45Å; L245-L267 VanDerWaalsContact CD1-CD1 3.45Å; L245-L267 HydrophobicContact CD1-CG 4.34Å; A248-L267 HydrophobicContact CB-CD1 3.48Å; A248-L267 VanDerWaalsContact CB-CD1 3.48Å; A248-L267 HydrophobicContact CB-CD2 3.99Å; A248-L267 HydrophobicContact CB-CG 4.4Å; L267-A312 HydrophobicContact CD2-CB 3.99Å; L267-W318 HydrophobicContact CB-CH2 4.08Å; L267-W318 HydrophobicContact CB-CZ3 4.36Å; L267-W318 HydrophobicContact CD2-CD2 4.31Å; L267-W318 HydrophobicContact CD2-CE3 3.74Å; L267-W318 HydrophobicContact CD2-CH2 3.99Å; L267-W318 HydrophobicContact CD2-CZ3 3.56Å
268	G	98.3	Very high	97.7	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	19%	0.194	C	C	.	.	S	Bend	trans	-152	-178.2	174.1	0	0	0	0	0	110.1	S307	G268-S307 VanDerWaalsContact CA-OG 3.29Å; G268-S307 WeakPolarHBondContact CA-OG 3.49Å
269	T	98.3	Very high	97.9	Very high	43 Å²	43	30.7 Å²	30.7	26%	0.264	17%	0.166	S	C	.	.			trans	-89.4	-21.5	178	66.7	0	0	0	0	112.4	D238 Y239 I240 Q271 A320 M327	D238-T269 WeakPolarHBondContact OD1-CB 3.41Å; D238-T269 PolarHBondContact OD1-N 3.32Å; D238-T269 PolarHBondContact OD1-OG1 3.44Å; D238-T269 PolarHBondContact OD2-N 3.11Å; Y239-T269 WeakPolarHBondContact O-CG2 3.46Å; I240-T269 HydrophobicContact CB-CG2 4.22Å; I240-T269 HydrophobicContact CG1-CG2 4.45Å; T269-Q271 PolarHBondContact OG1-N 3.31Å; T269-Q271 PolarHBondContact OG1-O 3.1Å; T269-A320 HydrophobicContact CG2-CB 3.86Å; T269-M327 HydrophobicContact CG2-CE 4.13Å
270	G	97.4	Very high	98.1	Very high	30 Å²	30	30.2 Å²	30.2	31%	0.309	16%	0.16	S	C	.	.	S	Bend	trans	79.2	0.6	-168.2	0	0	0	0	0	114.4	D238 Y306 S307	D238-G270 PolarHBondContact OD2-N 3.4Å; G270-Y306 WeakPolarHBondContact O-CD2 3.43Å; G270-S307 WeakPolarHBondContact CA-O 3.29Å; G270-S307 PolarHBondContact N-OG 3.05Å
271	Q	96.8	Very high	98.2	Very high	103 Å²	103	29.7 Å²	29.7	48%	0.481	16%	0.157	S	C	.	.			trans	-107.6	120.2	177.2	-176.1	59.2	47.9	0	0	110.4	D238 T269 Y273	D238-Q271 WeakPolarHBondContact CA-O 3.36Å; T269-Q271 PolarHBondContact OG1-N 3.31Å; T269-Q271 PolarHBondContact OG1-O 3.1Å; Q271-Y273 HydrophobicContact CB-CE2 4.16Å; Q271-Y273 HydrophobicContact CG-CD2 4.34Å; Q271-Y273 HydrophobicContact CG-CE1 4.18Å; Q271-Y273 HydrophobicContact CG-CE2 3.63Å
272	G	97	Very high	98.2	Very high	14 Å²	14	29.5 Å²	29.5	14%	0.144	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	136.7	172.2	0	0	0	0	0	112	R237	R237-G272 WeakPolarHBondContact O-CA 3.49Å
273	Y	98.1	Very high	98.2	Very high	46 Å²	46	30 Å²	30	18%	0.18	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	143	168.1	-60.3	-84	0	0	0	110.9	V236 R237 Y239 Q271 Q277 I324	V236-Y273 CarbonylContact C-O 3.56Å; V236-Y273 VanDerWaalsContact CA-O 3.28Å; V236-Y273 WeakPolarHBondContact CA-O 3.22Å; R237-Y273 PolarHBondContact N-O 2.7Å; R237-Y273 PolarHBondContact O-N 2.76Å; Y239-Y273 HydrophobicContact CD2-CD2 4.33Å; Q271-Y273 HydrophobicContact CB-CE2 4.16Å; Q271-Y273 HydrophobicContact CG-CD2 4.34Å; Q271-Y273 HydrophobicContact CG-CE1 4.18Å; Q271-Y273 HydrophobicContact CG-CE2 3.63Å; Y273-Q277 HydrophobicContact CD1-CB 4.46Å; Y273-I324 HydrophobicContact CD1-CD1 3.64Å; Y273-I324 HydrophobicContact CD2-CB 4.5Å; Y273-I324 HydrophobicContact CD2-CD1 4.21Å; Y273-I324 HydrophobicContact CE1-CB 4.14Å; Y273-I324 HydrophobicContact CE1-CD1 3.99Å; Y273-I324 HydrophobicContact CE1-CG2 3.92Å; Y273-I324 HydrophobicContact CE2-CB 4.05Å; Y273-I324 HydrophobicContact CG-CD1 3.75Å
274	S	98.2	Very high	98.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	165.8	174.3	78.5	0	0	0	0	112.1	D232 T234 G235 L276 Q277 M278	D232-S274 WeakPolarHBondContact OD1-CB 3.2Å; D232-S274 WeakPolarHBondContact OD2-CB 3.22Å; D232-S274 PolarHBondContact OD2-OG 2.9Å; T234-S274 WeakPolarHBondContact OG1-CB 3.29Å; G235-S274 CarbonylContact O-C 3.43Å; G235-S274 WeakPolarHBondContact O-CA 3.44Å; S274-L276 VanDerWaalsContact C-N 3.28Å; S274-L276 PolarHBondContact O-N 2.93Å; S274-L276 PolarHBondContact OG-N 3.47Å; S274-Q277 PolarHBondContact O-N 3.43Å; S274-Q277 WeakPolarHBondContact OG-CB 2.99Å; S274-Q277 VanDerWaalsContact OG-CG 3.3Å; S274-Q277 WeakPolarHBondContact OG-CG 3.23Å; S274-Q277 PolarHBondContact OG-N 2.9Å; S274-M278 WeakPolarHBondContact O-CG 3.49Å; S274-M278 PolarHBondContact O-N 2.7Å; S274-M278 VanDerWaalsContact O-N 3.1Å
275	V	97.9	Very high	98.2	Very high	23 Å²	23	33.8 Å²	33.8	14%	0.139	18%	0.177	C	C	.	.	H	α-helix	trans	-58.9	-42.2	174	176.8	0	0	0	0	110.9	L206 V223 T234 G235 M278 I279	L206-V275 HydrophobicContact CD1-CG1 3.89Å; L206-V275 HydrophobicContact CD2-CB 4.43Å; L206-V275 HydrophobicContact CD2-CG1 4.03Å; L206-V275 HydrophobicContact CD2-CG2 4.31Å; V223-V275 HydrophobicContact CB-CG1 4.48Å; V223-V275 HydrophobicContact CG1-CB 4.39Å; V223-V275 HydrophobicContact CG1-CG1 4.05Å; V223-V275 HydrophobicContact CG2-CG1 3.97Å; T234-V275 PolarHBondContact OG1-N 2.73Å; G235-V275 PolarHBondContact O-N 3.49Å; G235-V275 VanDerWaalsContact O-N 3.1Å; V275-M278 PolarHBondContact O-N 3.06Å; V275-I279 HydrophobicContact CG1-CD1 4.13Å; V275-I279 WeakPolarHBondContact O-CG1 3.44Å; V275-I279 PolarHBondContact O-N 3.4Å
276	L	98.3	Very high	98.1	Very high	26 Å²	26	34.5 Å²	34.5	14%	0.136	18%	0.182	C	C	.	.	H	α-helix	trans	-70.3	-35.7	-179.1	-54.4	-178.9	0	0	0	112.1	V223 D232 T234 S274 M278 I279 Q280 Y292	V223-L276 HydrophobicContact CG1-CD2 4.33Å; V223-L276 HydrophobicContact CG2-CD2 4.25Å; D232-L276 HydrophobicContact CB-CD1 4.23Å; D232-L276 WeakPolarHBondContact OD2-CB 3.29Å; T234-L276 HydrophobicContact CG2-CD1 3.93Å; T234-L276 HydrophobicContact CG2-CD2 4.22Å; T234-L276 HydrophobicContact CG2-CG 3.71Å; S274-L276 VanDerWaalsContact C-N 3.28Å; S274-L276 PolarHBondContact O-N 2.93Å; S274-L276 PolarHBondContact OG-N 3.47Å; L276-M278 VanDerWaalsContact C-N 3.31Å; L276-M278 PolarHBondContact O-N 2.83Å; L276-I279 HydrophobicContact CD2-CD1 4.33Å; L276-I279 PolarHBondContact O-N 3.26Å; L276-Q280 WeakPolarHBondContact O-CB 3.23Å; L276-Q280 VanDerWaalsContact O-CG 3.29Å; L276-Q280 WeakPolarHBondContact O-CG 3.16Å; L276-Q280 PolarHBondContact O-N 3.38Å; L276-Y292 HydrophobicContact CD2-CD2 4.28Å; L276-Y292 HydrophobicContact CD2-CE1 4.34Å; L276-Y292 HydrophobicContact CD2-CE2 3.82Å
277	Q	98.3	Very high	98.1	Very high	67 Å²	67	37.8 Å²	37.8	31%	0.313	22%	0.216	S	C	.	.	H	α-helix	trans	-61.8	-39.6	173.1	-74.5	175.8	-43.9	0	0	111.6	Y273 S274 Q280 A281	Y273-Q277 HydrophobicContact CD1-CB 4.46Å; S274-Q277 PolarHBondContact O-N 3.43Å; S274-Q277 WeakPolarHBondContact OG-CB 2.99Å; S274-Q277 VanDerWaalsContact OG-CG 3.3Å; S274-Q277 WeakPolarHBondContact OG-CG 3.23Å; S274-Q277 PolarHBondContact OG-N 2.9Å; Q277-Q280 PolarHBondContact O-N 3.22Å; Q277-A281 WeakPolarHBondContact O-CB 3.39Å; Q277-A281 PolarHBondContact O-N 3.08Å
278	M	98.3	Very high	97.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-40.5	174.4	-68.9	-55	-56.5	0	0	112.9	L206 M207 Y239 S274 V275 L276 A281 M282 I324	L206-M278 HydrophobicContact CD2-CB 4.06Å; L206-M278 HydrophobicContact CD2-CG 4.29Å; M207-M278 HydrophobicContact CE-CE 3.72Å; M207-M278 HydrophobicContact CG-CE 3.94Å; M207-M278 HydrophobicContact SD-CB 3.83Å; M207-M278 HydrophobicContact SD-CE 3.41Å; M207-M278 WeakPolarHBondContact SD-CE 3.44Å; M207-M278 HydrophobicContact SD-CG 4.3Å; Y239-M278 HydrophobicContact CD1-CE 4.23Å; Y239-M278 HydrophobicContact CD1-SD 4.26Å; Y239-M278 HydrophobicContact CD2-CE 4.37Å; Y239-M278 HydrophobicContact CD2-CG 3.78Å; Y239-M278 HydrophobicContact CD2-SD 3.39Å; Y239-M278 WeakPolarHBondContact CD2-SD 3.35Å; Y239-M278 HydrophobicContact CE1-CG 4.21Å; Y239-M278 HydrophobicContact CE1-SD 4.45Å; Y239-M278 HydrophobicContact CE2-CG 3.31Å; Y239-M278 HydrophobicContact CE2-SD 3.64Å; Y239-M278 HydrophobicContact CG-CE 4.12Å; Y239-M278 HydrophobicContact CG-CG 4.39Å; Y239-M278 HydrophobicContact CG-SD 3.71Å; S274-M278 WeakPolarHBondContact O-CG 3.49Å; S274-M278 PolarHBondContact O-N 2.7Å; S274-M278 VanDerWaalsContact O-N 3.1Å; V275-M278 PolarHBondContact O-N 3.06Å; L276-M278 VanDerWaalsContact C-N 3.31Å; L276-M278 PolarHBondContact O-N 2.83Å; M278-A281 PolarHBondContact O-N 2.81Å; M278-M282 PolarHBondContact O-N 3.08Å; M278-I324 HydrophobicContact CE-CD1 4.26Å; M278-I324 HydrophobicContact CE-CG1 4.04Å; M278-I324 HydrophobicContact SD-CD1 3.3Å; M278-I324 WeakPolarHBondContact SD-CD1 3.39Å; M278-I324 HydrophobicContact SD-CG1 3.66Å
279	I	98.3	Very high	97.9	Very high	3 Å²	3	49 Å²	49	2%	0.015	28%	0.275	C	S	.	.	H	α-helix	trans	-61.5	-49.2	174.8	-68.2	169.3	0	0	0	109.6	V210 V221 V223 V275 L276 A281 M282 E283 I290 Y292	V210-I279 HydrophobicContact CG2-CG1 4.24Å; V221-I279 HydrophobicContact CB-CD1 4.41Å; V221-I279 HydrophobicContact CG1-CD1 4.17Å; V223-I279 HydrophobicContact CG2-CD1 3.94Å; V275-I279 HydrophobicContact CG1-CD1 4.13Å; V275-I279 WeakPolarHBondContact O-CG1 3.44Å; V275-I279 PolarHBondContact O-N 3.4Å; L276-I279 HydrophobicContact CD2-CD1 4.33Å; L276-I279 PolarHBondContact O-N 3.26Å; I279-A281 VanDerWaalsContact C-N 3.35Å; I279-A281 PolarHBondContact O-N 3.47Å; I279-M282 CarbonylContact O-C 3.49Å; I279-M282 PolarHBondContact O-N 3.46Å; I279-M282 VanDerWaalsContact O-N 3.08Å; I279-E283 HydrophobicContact CG2-CG 4.37Å; I279-E283 WeakPolarHBondContact O-CG 3.47Å; I279-E283 PolarHBondContact O-N 3.02Å; I279-I290 HydrophobicContact CG2-CB 4Å; I279-I290 HydrophobicContact CG2-CG2 4.03Å; I279-Y292 HydrophobicContact CD1-CD1 4.22Å; I279-Y292 HydrophobicContact CD1-CG 4.18Å; I279-Y292 HydrophobicContact CG2-CD1 4.47Å
280	Q	98.3	Very high	97.9	Very high	119 Å²	119	47 Å²	47	56%	0.556	26%	0.263	S	S	*	.	H	α-helix	trans	-59.3	-42.6	178.6	-72.7	170.8	2	0	0	112.6	L276 Q277 M282 E283 K284	L276-Q280 WeakPolarHBondContact O-CB 3.23Å; L276-Q280 VanDerWaalsContact O-CG 3.29Å; L276-Q280 WeakPolarHBondContact O-CG 3.16Å; L276-Q280 PolarHBondContact O-N 3.38Å; Q277-Q280 PolarHBondContact O-N 3.22Å; Q280-M282 VanDerWaalsContact C-N 3.3Å; Q280-M282 PolarHBondContact O-N 3.5Å; Q280-E283 PolarHBondContact O-N 2.68Å; Q280-K284 PolarHBondContact O-N 3.4Å
281	A	98.4	Very high	97.9	Very high	8 Å²	8	48.5 Å²	48.5	7%	0.066	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-36.9	175.7	0	0	0	0	0	111.9	Q277 M278 I279 K284 A285 I324	Q277-A281 WeakPolarHBondContact O-CB 3.39Å; Q277-A281 PolarHBondContact O-N 3.08Å; M278-A281 PolarHBondContact O-N 2.81Å; I279-A281 VanDerWaalsContact C-N 3.35Å; I279-A281 PolarHBondContact O-N 3.47Å; A281-K284 PolarHBondContact O-N 3.28Å; A281-A285 WeakPolarHBondContact O-CB 3.33Å; A281-A285 PolarHBondContact O-N 2.97Å; A281-I324 HydrophobicContact CB-CD1 3.66Å; A281-I324 HydrophobicContact CB-CG1 3.66Å
282	M	98.3	Very high	98	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-71.8	-36.3	174.5	-170.1	54.4	61.8	0	0	112.7	M207 V210 T211 M278 I279 Q280 K284 A285 S286 I290 C328 L331 W332	M207-M282 HydrophobicContact CE-CB 4.29Å; M207-M282 HydrophobicContact CE-CE 3.36Å; V210-M282 HydrophobicContact CG1-CB 3.84Å; V210-M282 HydrophobicContact CG1-CG 3.73Å; T211-M282 HydrophobicContact CG2-CE 3.9Å; T211-M282 HydrophobicContact CG2-SD 4.15Å; M278-M282 PolarHBondContact O-N 3.08Å; I279-M282 CarbonylContact O-C 3.49Å; I279-M282 PolarHBondContact O-N 3.46Å; I279-M282 VanDerWaalsContact O-N 3.08Å; Q280-M282 VanDerWaalsContact C-N 3.3Å; Q280-M282 PolarHBondContact O-N 3.5Å; M282-K284 VanDerWaalsContact C-N 3.32Å; M282-K284 PolarHBondContact O-N 3.25Å; M282-A285 PolarHBondContact O-N 3.3Å; M282-S286 VanDerWaalsContact O-CB 3.23Å; M282-S286 WeakPolarHBondContact O-CB 3.5Å; M282-S286 PolarHBondContact O-N 3.45Å; M282-S286 PolarHBondContact O-OG 2.98Å; M282-I290 HydrophobicContact CB-CD1 3.74Å; M282-I290 HydrophobicContact CG-CD1 3.56Å; M282-C328 HydrophobicContact CE-CB 3.67Å; M282-C328 HydrophobicContact SD-CB 4.36Å; M282-L331 HydrophobicContact CE-CB 4.33Å; M282-L331 HydrophobicContact CE-CD2 3.76Å; M282-L331 HydrophobicContact CE-CG 4.19Å; M282-W332 HydrophobicContact SD-CB 4.2Å
283	E	98.5	Very high	98	Very high	58 Å²	58	51.1 Å²	51.1	27%	0.271	28%	0.276	S	S	.	.	H	α-helix	trans	-59.9	-44.4	171.7	-69.4	-172.2	128.9	0	0	110.7	I279 Q280 S286 G287 K288 T289 I290	I279-E283 HydrophobicContact CG2-CG 4.37Å; I279-E283 WeakPolarHBondContact O-CG 3.47Å; I279-E283 PolarHBondContact O-N 3.02Å; Q280-E283 PolarHBondContact O-N 2.68Å; E283-S286 PolarHBondContact O-N 2.86Å; E283-G287 WeakPolarHBondContact O-CA 3.46Å; E283-G287 PolarHBondContact O-N 3.13Å; E283-K288 WeakPolarHBondContact CA-O 3.47Å; E283-K288 WeakPolarHBondContact CB-O 3.4Å; E283-K288 WeakPolarHBondContact CG-O 3.04Å; E283-T289 WeakPolarHBondContact OE1-CA 3.5Å; E283-I290 HydrophobicContact CG-CB 3.86Å; E283-I290 HydrophobicContact CG-CD1 3.8Å; E283-I290 HydrophobicContact CG-CG1 3.76Å; E283-I290 PolarHBondContact OE1-N 3.37Å
284	K	98.3	Very high	98	Very high	140 Å²	140	52.3 Å²	52.3	61%	0.609	29%	0.285	S	S	*	.	H	α-helix	trans	-60	-48.1	174.7	178.5	-176.7	168	-167.4	0	112	Q280 A281 M282 D325	Q280-K284 PolarHBondContact O-N 3.4Å; A281-K284 PolarHBondContact O-N 3.28Å; M282-K284 VanDerWaalsContact C-N 3.32Å; M282-K284 PolarHBondContact O-N 3.25Å; K284-D325 IonicContact NZ-OD1 3.8Å; K284-D325 PolarHBondContact NZ-OD1 3.03Å; K284-D325 IonicContact NZ-OD2 2.7Å; K284-D325 PolarHBondContact NZ-OD2 3.06Å
285	A	98.1	Very high	97.8	Very high	28 Å²	28	53.5 Å²	53.5	23%	0.231	29%	0.293	C	S	.	.	H	α-helix	trans	-69.1	-36.1	-179	0	0	0	0	0	113.1	A281 M282 C328 E329	A281-A285 WeakPolarHBondContact O-CB 3.33Å; A281-A285 PolarHBondContact O-N 2.97Å; M282-A285 PolarHBondContact O-N 3.3Å; A285-C328 HydrophobicContact CB-CB 3.68Å; A285-E329 HydrophobicContact CB-CG 4.28Å
286	S	97.5	Very high	97.7	Very high	15 Å²	15	57.9 Å²	57.9	11%	0.105	32%	0.322	C	S	.	.	H	α-helix	trans	-88.8	-22.1	-175.9	64.7	0	0	0	0	114.4	M282 E283 K288	M282-S286 VanDerWaalsContact O-CB 3.23Å; M282-S286 WeakPolarHBondContact O-CB 3.5Å; M282-S286 PolarHBondContact O-N 3.45Å; M282-S286 PolarHBondContact O-OG 2.98Å; E283-S286 PolarHBondContact O-N 2.86Å; S286-K288 PolarHBondContact O-N 2.87Å; S286-K288 WeakPolarHBondContact OG-CB 3.48Å; S286-K288 PolarHBondContact OG-N 3.5Å
287	G	97.7	Very high	97.5	Very high	69 Å²	69	62.1 Å²	62.1	71%	0.711	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	19.3	-168.6	0	0	0	0	0	113.1	E283	E283-G287 WeakPolarHBondContact O-CA 3.46Å; E283-G287 PolarHBondContact O-N 3.13Å
288	K	96.6	Very high	96.9	Very high	113 Å²	113	62.9 Å²	62.9	49%	0.491	34%	0.336	S	S	.	.	S	Bend	trans	-111.6	148.2	179.7	-58.4	-63.7	-176.3	178.3	0	110	E283 S286 W332	E283-K288 WeakPolarHBondContact CA-O 3.47Å; E283-K288 WeakPolarHBondContact CB-O 3.4Å; E283-K288 WeakPolarHBondContact CG-O 3.04Å; S286-K288 PolarHBondContact O-N 2.87Å; S286-K288 WeakPolarHBondContact OG-CB 3.48Å; S286-K288 PolarHBondContact OG-N 3.5Å; K288-W332 HydrophobicContact CG-CZ2 4.45Å
289	T	96.7	Very high	96.2	Very high	123 Å²	123	68.7 Å²	68.7	76%	0.755	37%	0.374	S	S	*	.			trans	-79	131.3	164	-59.5	0	0	0	0	108.8	E283 P291	E283-T289 WeakPolarHBondContact OE1-CA 3.5Å; T289-P291 WeakPolarHBondContact O-CD 3.5Å
290	I	98.1	Very high	95.3	Very high	3 Å²	3	70.6 Å²	70.6	2%	0.015	39%	0.393	C	S	.	.			trans	-110.9	101.5	-177	-63.5	172.5	0	0	0	108.6	V210 V213 A214 V221 I279 M282 E283	V210-I290 HydrophobicContact CG1-CD1 3.86Å; V210-I290 HydrophobicContact CG1-CG2 4.26Å; V213-I290 HydrophobicContact CB-CG2 4.36Å; V213-I290 HydrophobicContact CG1-CG2 3.9Å; A214-I290 HydrophobicContact CB-CD1 3.89Å; A214-I290 HydrophobicContact CB-CG1 3.96Å; V221-I290 HydrophobicContact CG2-CG2 3.7Å; I279-I290 HydrophobicContact CG2-CB 4Å; I279-I290 HydrophobicContact CG2-CG2 4.03Å; M282-I290 HydrophobicContact CB-CD1 3.74Å; M282-I290 HydrophobicContact CG-CD1 3.56Å; E283-I290 HydrophobicContact CG-CB 3.86Å; E283-I290 HydrophobicContact CG-CD1 3.8Å; E283-I290 HydrophobicContact CG-CG1 3.76Å; E283-I290 PolarHBondContact OE1-N 3.37Å
291	P	98	Very high	94.7	Very high	61 Å²	61	66.8 Å²	66.8	40%	0.396	38%	0.377	S	S	.	.			trans	-64.5	141	177.1	26.3	-34.3	0	0	0	110.8	V213 P219 Y220 V221 T289	V213-P291 HydrophobicContact CG1-CG 3.94Å; P219-P291 WeakPolarHBondContact O-CG 3.46Å; Y220-P291 CarbonylContact C-O 3.39Å; Y220-P291 VanDerWaalsContact CA-O 3.23Å; Y220-P291 WeakPolarHBondContact CA-O 3.34Å; V221-P291 PolarHBondContact N-O 2.89Å; T289-P291 WeakPolarHBondContact O-CD 3.5Å
292	Y	98.1	Very high	94.2	Very high	115 Å²	115	67.6 Å²	67.6	45%	0.451	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158.4	173.7	69.5	-93.1	0	0	0	111.2	V221 V223 L276 I279 I294	V221-Y292 CarbonylContact O-C 3.51Å; V221-Y292 WeakPolarHBondContact O-CA 3.3Å; V221-Y292 WeakPolarHBondContact O-CB 3.42Å; V223-Y292 HydrophobicContact CB-CD2 4.47Å; V223-Y292 HydrophobicContact CG2-CD2 3.68Å; V223-Y292 HydrophobicContact CG2-CG 4.04Å; L276-Y292 HydrophobicContact CD2-CD2 4.28Å; L276-Y292 HydrophobicContact CD2-CE1 4.34Å; L276-Y292 HydrophobicContact CD2-CE2 3.82Å; I279-Y292 HydrophobicContact CD1-CD1 4.22Å; I279-Y292 HydrophobicContact CD1-CG 4.18Å; I279-Y292 HydrophobicContact CG2-CD1 4.47Å; Y292-I294 HydrophobicContact CD2-CD1 4.14Å; Y292-I294 HydrophobicContact CE2-CD1 3.88Å
293	T	97.9	Very high	93.9	Very high	57 Å²	57	69.2 Å²	69.2	35%	0.35	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.9	173.6	-170.1	0	0	0	0	110	Y220 V221 N222 V223	Y220-T293 HydrophobicContact CD2-CG2 3.52Å; Y220-T293 HydrophobicContact CE2-CG2 3.5Å; Y220-T293 VanDerWaalsContact CE2-CG2 3.5Å; V221-T293 PolarHBondContact O-N 3.37Å; N222-T293 WeakPolarHBondContact OD1-CG2 3.43Å; V223-T293 PolarHBondContact N-O 3.15Å
294	I	97.7	Very high	93.7	Very high	71 Å²	71	68 Å²	68	36%	0.364	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	125.5	173.3	-57.8	-52.1	0	0	0	108.7	V223 N226 Y292	V223-I294 HydrophobicContact CB-CD1 3.9Å; V223-I294 HydrophobicContact CG1-CD1 3.89Å; N226-I294 HydrophobicContact CB-CD1 4.13Å; N226-I294 HydrophobicContact CB-CG1 4.42Å; N226-I294 HydrophobicContact CB-CG2 3.8Å; N226-I294 VanDerWaalsContact CG-CG2 3.46Å; Y292-I294 HydrophobicContact CD2-CD1 4.14Å; Y292-I294 HydrophobicContact CE2-CD1 3.88Å
295	C	95	Very high	93.6	Very high	25 Å²	25	62.2 Å²	62.2	17%	0.169	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	163.3	176	-59.7	0	0	0	0	110.6	N222 V223 Y224 G225	N222-C295 PolarHBondContact OD1-SG 3.37Å; N222-C295 VanDerWaalsContact OD1-SG 3.37Å; V223-C295 PolarHBondContact O-N 3.37Å; Y224-C295 HydrophobicContact CD1-CB 3.8Å; Y224-C295 HydrophobicContact CE1-CB 4.21Å; G225-C295 PolarHBondContact N-O 3.03Å
296	P	95.5	Very high	93.6	Very high	115 Å²	115	64 Å²	64	75%	0.747	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-53	154.9	166.6	-24.6	34.5	0	0	0	112	R298	P296-R298 PolarHBondContact O-N 3.31Å
297	R	93.8	Very high	93.6	Very high	115 Å²	115	63.3 Å²	63.3	43%	0.434	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-54.6	136.1	173.6	-65	-174.4	-172.7	-169.3	9.3	110.3	D227 Y228	D227-R297 VanDerWaalsContact C-NH2 3.3Å; D227-R297 VanDerWaalsContact CG-NE 3.33Å; D227-R297 PolarHBondContact O-NH2 2.87Å; D227-R297 IonicContact OD1-CZ 3.9Å; D227-R297 IonicContact OD1-NE 3.36Å; D227-R297 PolarHBondContact OD1-NE 2.96Å; D227-R297 IonicContact OD1-NH2 2.78Å; D227-R297 PolarHBondContact OD1-NH2 2.86Å; D227-R297 IonicContact OD2-CZ 2.8Å; D227-R297 IonicContact OD2-NE 2.69Å; D227-R297 PolarHBondContact OD2-NE 3.27Å; D227-R297 IonicContact OD2-NH2 2.8Å; D227-R297 PolarHBondContact OD2-NH2 3.15Å; Y228-R297 HydrophobicContact CE1-CG 4.28Å; Y228-R297 HydrophobicContact CE2-CG 4.03Å; Y228-R297 WeakPolarHBondContact OH-CG 3.27Å
298	R	86	Confident	93.6	Very high	82 Å²	82	62.3 Å²	62.3	31%	0.309	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-79.5	128.1	173	178.8	175.2	63.7	175.1	4.6	108.8	Y224 P296 G300 D301	Y224-R298 HydrophobicContact CD1-CB 4.32Å; Y224-R298 HydrophobicContact CD2-CB 4.41Å; Y224-R298 HydrophobicContact CG-CB 3.96Å; P296-R298 PolarHBondContact O-N 3.31Å; R298-G300 PolarHBondContact O-N 2.72Å; R298-D301 WeakPolarHBondContact CB-OD2 3.42Å; R298-D301 IonicContact CZ-OD1 3.23Å; R298-D301 IonicContact CZ-OD2 3Å; R298-D301 IonicContact NE-OD1 3.32Å; R298-D301 IonicContact NE-OD2 2.77Å; R298-D301 PolarHBondContact NE-OD2 2.83Å; R298-D301 IonicContact NH2-OD1 2.76Å; R298-D301 PolarHBondContact NH2-OD1 3.19Å; R298-D301 IonicContact NH2-OD2 2.83Å; R298-D301 PolarHBondContact NH2-OD2 2.79Å; R298-D301 PolarHBondContact O-N 3.18Å
299	P	82.6	Confident	93.7	Very high	123 Å²	123	57.7 Å²	57.7	80%	0.799	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	133.7	179.7	-27.7	35.2	0	0	0	112.4
300	G	80.8	Confident	93.8	Very high	42 Å²	42	54.9 Å²	54.9	43%	0.433	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-7.4	179.4	0	0	0	0	0	115.7	R298	R298-G300 PolarHBondContact O-N 2.72Å
301	D	84.8	Confident	93.8	Very high	39 Å²	39	57 Å²	57	21%	0.209	32%	0.322	C	S	.	.			trans	-73.7	128	173.6	-82.5	-30.1	0	0	0	111.4	R237 R298	R237-D301 IonicContact NH2-OD1 3.33Å; R298-D301 WeakPolarHBondContact CB-OD2 3.42Å; R298-D301 IonicContact CZ-OD1 3.23Å; R298-D301 IonicContact CZ-OD2 3Å; R298-D301 IonicContact NE-OD1 3.32Å; R298-D301 IonicContact NE-OD2 2.77Å; R298-D301 PolarHBondContact NE-OD2 2.83Å; R298-D301 IonicContact NH2-OD1 2.76Å; R298-D301 PolarHBondContact NH2-OD1 3.19Å; R298-D301 IonicContact NH2-OD2 2.83Å; R298-D301 PolarHBondContact NH2-OD2 2.79Å; R298-D301 PolarHBondContact O-N 3.18Å
302	C	87.3	Confident	93.8	Very high	26 Å²	26	54.1 Å²	54.1	18%	0.176	30%	0.304	C	S	.	.			trans	-82.6	153.8	170.5	-64.8	0	0	0	0	110.9	R237 V305	R237-C302 VanDerWaalsContact CZ-O 3.26Å; R237-C302 PolarHBondContact NH1-O 3.26Å; R237-C302 PolarHBondContact NH2-O 3.23Å; C302-V305 HydrophobicContact CB-CG2 3.75Å
303	A	92.5	Very high	93.8	Very high	33 Å²	33	53.3 Å²	53.3	27%	0.273	30%	0.304	S	S	.	.	S	Bend	trans	-61.8	-54.8	177.1	0	0	0	0	0	111.9	Y228 T230 G235 V236 R237	Y228-A303 HydrophobicContact CD1-CB 3.73Å; Y228-A303 HydrophobicContact CG-CB 4.18Å; T230-A303 HydrophobicContact CG2-CB 4.12Å; G235-A303 WeakPolarHBondContact CA-O 3.34Å; V236-A303 PolarHBondContact N-O 2.76Å; R237-A303 PolarHBondContact NH1-O 3.36Å
304	T	95	Very high	93.8	Very high	34 Å²	34	58.3 Å²	58.3	21%	0.209	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138	132.5	-176	-57.8	0	0	0	0	110.6	L140 T230 V236 Y306	L140-T304 HydrophobicContact CD1-CG2 3.77Å; T230-T304 WeakPolarHBondContact CG2-OG1 3.5Å; V236-T304 HydrophobicContact CB-CG2 3.99Å; V236-T304 HydrophobicContact CG1-CG2 3.89Å; V236-T304 WeakPolarHBondContact O-CA 3.17Å; T304-Y306 HydrophobicContact CG2-CD1 3.64Å; T304-Y306 HydrophobicContact CG2-CE1 3.78Å
305	V	95.6	Very high	93.9	Very high	18 Å²	18	57.5 Å²	57.5	11%	0.109	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	116.6	175.9	-178.3	0	0	0	0	108.8	P137 L142 F184 V236 R237 D238 C302	P137-V305 HydrophobicContact CG-CG2 4.12Å; L142-V305 HydrophobicContact CD1-CG1 3.73Å; F184-V305 HydrophobicContact CD1-CG1 4.25Å; F184-V305 HydrophobicContact CE1-CG1 3.93Å; V236-V305 PolarHBondContact O-N 2.81Å; R237-V305 CarbonylContact C-O 3.25Å; R237-V305 WeakPolarHBondContact CA-O 3.48Å; D238-V305 PolarHBondContact N-O 3.11Å; D238-V305 VanDerWaalsContact N-O 3.08Å; C302-V305 HydrophobicContact CB-CG2 3.75Å
306	Y	97.5	Very high	94	Very high	65 Å²	65	57.2 Å²	57.2	26%	0.255	32%	0.315	S	S	.	.			trans	-148.7	157.6	173.3	64.3	-83.4	0	0	0	112.2	L140 P141 L142 G270 T304	L140-Y306 HydrophobicContact CB-CE1 3.76Å; L140-Y306 HydrophobicContact CD1-CD1 4.34Å; L140-Y306 HydrophobicContact CD1-CE1 3.88Å; L140-Y306 HydrophobicContact CD2-CD1 4.34Å; L140-Y306 HydrophobicContact CD2-CE1 4.36Å; L140-Y306 HydrophobicContact CG-CE1 4.23Å; P141-Y306 HydrophobicContact CB-CD2 3.79Å; P141-Y306 HydrophobicContact CB-CE2 3.5Å; P141-Y306 HydrophobicContact CG-CE2 4.26Å; L142-Y306 PolarHBondContact N-O 3.42Å; G270-Y306 WeakPolarHBondContact O-CD2 3.43Å; T304-Y306 HydrophobicContact CG2-CD1 3.64Å; T304-Y306 HydrophobicContact CG2-CE1 3.78Å
307	S	97.8	Very high	94.1	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-89.3	158.3	-170.4	69.3	0	0	0	0	113.3	P141 F184 D238 G268 G270	P141-S307 WeakPolarHBondContact CB-O 3.46Å; F184-S307 VanDerWaalsContact CE1-N 3.33Å; F184-S307 VanDerWaalsContact CZ-CA 3.48Å; D238-S307 WeakPolarHBondContact OD2-CB 3.43Å; D238-S307 PolarHBondContact OD2-N 3.31Å; D238-S307 PolarHBondContact OD2-OG 2.97Å; G268-S307 VanDerWaalsContact CA-OG 3.29Å; G268-S307 WeakPolarHBondContact CA-OG 3.49Å; G270-S307 WeakPolarHBondContact CA-O 3.29Å; G270-S307 PolarHBondContact N-OG 3.05Å
308	D	98.4	Very high	94.4	Very high	47 Å²	47	49.2 Å²	49.2	25%	0.251	29%	0.289	S	S	.	.			trans	-106.1	113.2	145.9	-178.8	-9.8	0	0	0	106.2	P141 L142 T143 S310	P141-D308 HydrophobicContact CB-CB 3.89Å; P141-D308 HydrophobicContact CG-CB 3.93Å; L142-D308 PolarHBondContact O-N 3.49Å; T143-D308 HydrophobicContact CG2-CB 3.88Å; D308-S310 WeakPolarHBondContact OD1-CB 3.45Å; D308-S310 PolarHBondContact OD1-N 2.87Å; D308-S310 PolarHBondContact OD1-OG 3.45Å
309	A	98.2	Very high	94.9	Very high	16 Å²	16	51.3 Å²	51.3	13%	0.132	30%	0.3	C	S	.	.			trans	-99.9	15.4	-179.6	0	0	0	0	0	112.8	L311 A312 Q313 W318	A309-L311 PolarHBondContact O-N 3.33Å; A309-A312 PolarHBondContact O-N 2.9Å; A309-A312 VanDerWaalsContact O-N 3.16Å; A309-Q313 PolarHBondContact O-N 3.05Å; A309-Q313 VanDerWaalsContact O-N 3.14Å; A309-W318 HydrophobicContact CB-CZ3 4.3Å
310	S	98.4	Very high	95.7	Very high	64 Å²	64	46.2 Å²	46.2	45%	0.448	27%	0.268	S	S	.	.	H	α-helix	trans	-59.9	-32.9	-177.3	-59.5	0	0	0	0	112.7	D308 Q313 Q314	D308-S310 WeakPolarHBondContact OD1-CB 3.45Å; D308-S310 PolarHBondContact OD1-N 2.87Å; D308-S310 PolarHBondContact OD1-OG 3.45Å; S310-Q313 PolarHBondContact O-N 3Å; S310-Q314 WeakPolarHBondContact O-CB 3.29Å; S310-Q314 PolarHBondContact O-N 3.46Å
311	L	98.5	Very high	96.5	Very high	48 Å²	48	50.6 Å²	50.6	25%	0.251	28%	0.275	S	S	.	.	H	α-helix	trans	-66.8	-41.3	178.1	-173.6	65.5	0	0	0	111.7	E144 Y265 A309 Q313 Q314 E315	E144-L311 HydrophobicContact CB-CD2 4.29Å; E144-L311 HydrophobicContact CG-CD2 4.04Å; Y265-L311 HydrophobicContact CD1-CB 4.39Å; Y265-L311 HydrophobicContact CD1-CD2 3.97Å; Y265-L311 HydrophobicContact CD1-CG 3.83Å; Y265-L311 HydrophobicContact CE1-CD2 4.12Å; Y265-L311 HydrophobicContact CE1-CG 3.85Å; A309-L311 PolarHBondContact O-N 3.33Å; L311-Q313 VanDerWaalsContact C-N 3.33Å; L311-Q314 PolarHBondContact O-N 3.17Å; L311-E315 HydrophobicContact CD1-CG 4.05Å; L311-E315 WeakPolarHBondContact O-CB 3.47Å; L311-E315 PolarHBondContact O-N 3.49Å
312	A	98.6	Very high	97.2	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-63.4	-40.4	174	0	0	0	0	0	111.3	Y265 L267 A309 L316 G317 W318	Y265-A312 HydrophobicContact CD1-CB 4.38Å; L267-A312 HydrophobicContact CD2-CB 3.99Å; A309-A312 PolarHBondContact O-N 2.9Å; A309-A312 VanDerWaalsContact O-N 3.16Å; A312-L316 HydrophobicContact CB-CD1 4.36Å; A312-L316 WeakPolarHBondContact O-CA 3.5Å; A312-L316 VanDerWaalsContact O-CB 3.22Å; A312-L316 WeakPolarHBondContact O-CB 3.33Å; A312-L316 PolarHBondContact O-N 2.85Å; A312-G317 PolarHBondContact O-N 3.45Å; A312-W318 CarbonylContact C-O 3.57Å; A312-W318 HydrophobicContact CB-CE3 3.72Å; A312-W318 HydrophobicContact CB-CZ3 4.2Å; A312-W318 PolarHBondContact O-N 3.31Å
313	Q	98.4	Very high	97.7	Very high	98 Å²	98	55.8 Å²	55.8	46%	0.458	30%	0.295	S	S	.	.	H	α-helix	trans	-61.5	-46.2	174.3	-173.2	179.3	-8.4	0	0	112.2	A309 S310 L311 G317 W318 K319	A309-Q313 PolarHBondContact O-N 3.05Å; A309-Q313 VanDerWaalsContact O-N 3.14Å; S310-Q313 PolarHBondContact O-N 3Å; L311-Q313 VanDerWaalsContact C-N 3.33Å; Q313-G317 VanDerWaalsContact O-CA 3.31Å; Q313-G317 WeakPolarHBondContact O-CA 3.3Å; Q313-G317 PolarHBondContact O-N 3.21Å; Q313-W318 WeakPolarHBondContact CA-O 3.36Å; Q313-W318 WeakPolarHBondContact CB-O 3.42Å; Q313-W318 PolarHBondContact N-O 2.83Å; Q313-K319 HydrophobicContact CG-CB 4.43Å
314	Q	98.3	Very high	97.9	Very high	162 Å²	162	55 Å²	55	76%	0.757	29%	0.287	S	S	*	.	H	α-helix	trans	-68.3	-46.9	-178.8	-178.2	-177.5	-15	0	0	112.8	S310 L311	S310-Q314 WeakPolarHBondContact O-CB 3.29Å; S310-Q314 PolarHBondContact O-N 3.46Å; L311-Q314 PolarHBondContact O-N 3.17Å
315	E	98.3	Very high	98.1	Very high	55 Å²	55	55.6 Å²	55.6	26%	0.257	29%	0.288	S	S	.	.	H	α-helix	trans	-95.5	-24.1	-169.4	-73.7	-150.7	-149.3	0	0	114.8	K255 K263 Y265 L311	K255-E315 WeakPolarHBondContact CE-OE2 3.34Å; K255-E315 PolarHBondContact NZ-O 2.84Å; K255-E315 IonicContact NZ-OE2 3.67Å; K255-E315 PolarHBondContact NZ-OE2 3.29Å; K263-E315 IonicContact NZ-OE1 2.85Å; K263-E315 PolarHBondContact NZ-OE1 2.75Å; K263-E315 VanDerWaalsContact NZ-OE1 3.1Å; K263-E315 IonicContact NZ-OE2 2.72Å; K263-E315 PolarHBondContact NZ-OE2 2.98Å; Y265-E315 HydrophobicContact CE1-CB 3.77Å; Y265-E315 HydrophobicContact CE1-CG 4.34Å; Y265-E315 PolarHBondContact OH-OE2 2.89Å; Y265-E315 VanDerWaalsContact OH-OE2 3.11Å; L311-E315 HydrophobicContact CD1-CG 4.05Å; L311-E315 WeakPolarHBondContact O-CB 3.47Å; L311-E315 PolarHBondContact O-N 3.49Å
316	L	98.1	Very high	98.2	Very high	18 Å²	18	57.3 Å²	57.3	9%	0.094	29%	0.294	C	S	.	.	H	α-helix	trans	-110.6	-10.9	-179.8	-51.9	-179.7	0	0	0	112.9	K251 K255 Y265 A312 W318	K251-L316 HydrophobicContact CB-CB 4.14Å; K255-L316 HydrophobicContact CB-CD2 3.59Å; K255-L316 HydrophobicContact CD-CD2 4.26Å; K255-L316 HydrophobicContact CG-CD2 3.7Å; Y265-L316 HydrophobicContact CD1-CD1 4.47Å; Y265-L316 HydrophobicContact CD2-CD1 3.8Å; Y265-L316 HydrophobicContact CD2-CD2 4.43Å; Y265-L316 HydrophobicContact CD2-CG 4.34Å; Y265-L316 HydrophobicContact CE1-CG 4.35Å; Y265-L316 HydrophobicContact CE2-CD1 4.03Å; Y265-L316 HydrophobicContact CE2-CD2 3.81Å; Y265-L316 HydrophobicContact CE2-CG 4.11Å; Y265-L316 HydrophobicContact CG-CD1 4.04Å; A312-L316 HydrophobicContact CB-CD1 4.36Å; A312-L316 WeakPolarHBondContact O-CA 3.5Å; A312-L316 VanDerWaalsContact O-CB 3.22Å; A312-L316 WeakPolarHBondContact O-CB 3.33Å; A312-L316 PolarHBondContact O-N 2.85Å; L316-W318 HydrophobicContact CB-CB 4.1Å; L316-W318 PolarHBondContact O-N 2.91Å
317	G	98	Very high	98.3	Very high	61 Å²	61	54.3 Å²	54.3	63%	0.629	28%	0.283	S	S	*	.			trans	64.1	28	-171.1	0	0	0	0	0	112.6	A312 Q313	A312-G317 PolarHBondContact O-N 3.45Å; Q313-G317 VanDerWaalsContact O-CA 3.31Å; Q313-G317 WeakPolarHBondContact O-CA 3.3Å; Q313-G317 PolarHBondContact O-N 3.21Å
318	W	98.5	Very high	98.3	Very high	1 Å²	1	54.3 Å²	54.3	0%	0.004	28%	0.282	C	S	.	.			trans	-112.6	136.2	-174.7	176.5	86.1	0	0	0	111.8	I240 D244 A248 K251 L267 A309 A312 Q313 L316 A320	I240-W318 HydrophobicContact CD1-CH2 3.53Å; I240-W318 HydrophobicContact CD1-CZ2 3.7Å; D244-W318 HydrophobicContact CB-CZ2 4.32Å; D244-W318 PolarHBondContact O-NE1 3.19Å; A248-W318 HydrophobicContact CB-CD2 3.92Å; A248-W318 HydrophobicContact CB-CG 4.01Å; A248-W318 HydrophobicContact CB-CZ2 4.17Å; K251-W318 HydrophobicContact CG-CB 4.22Å; L267-W318 HydrophobicContact CB-CH2 4.08Å; L267-W318 HydrophobicContact CB-CZ3 4.36Å; L267-W318 HydrophobicContact CD2-CD2 4.31Å; L267-W318 HydrophobicContact CD2-CE3 3.74Å; L267-W318 HydrophobicContact CD2-CH2 3.99Å; L267-W318 HydrophobicContact CD2-CZ3 3.56Å; A309-W318 HydrophobicContact CB-CZ3 4.3Å; A312-W318 CarbonylContact C-O 3.57Å; A312-W318 HydrophobicContact CB-CE3 3.72Å; A312-W318 HydrophobicContact CB-CZ3 4.2Å; A312-W318 PolarHBondContact O-N 3.31Å; Q313-W318 WeakPolarHBondContact CA-O 3.36Å; Q313-W318 WeakPolarHBondContact CB-O 3.42Å; Q313-W318 PolarHBondContact N-O 2.83Å; L316-W318 HydrophobicContact CB-CB 4.1Å; L316-W318 PolarHBondContact O-N 2.91Å; W318-A320 HydrophobicContact CH2-CB 4.17Å; W318-A320 HydrophobicContact CZ2-CB 4.21Å
319	K	98.4	Very high	98.3	Very high	126 Å²	126	56.7 Å²	56.7	55%	0.548	29%	0.292	S	S	.	.			trans	-147.8	138.5	171	-177	179	176.6	174.1	0	108.1	Q313 K321	Q313-K319 HydrophobicContact CG-CB 4.43Å; K319-K321 WeakPolarHBondContact O-CG 3.3Å; K319-K321 PolarHBondContact O-N 3.27Å
320	A	98.4	Very high	98.3	Very high	16 Å²	16	56.4 Å²	56.4	13%	0.132	29%	0.288	C	S	.	.			trans	-61.1	134.8	171.8	0	0	0	0	0	110.8	I240 D244 T269 W318	I240-A320 HydrophobicContact CD1-CB 4.17Å; I240-A320 HydrophobicContact CG1-CB 4.23Å; D244-A320 HydrophobicContact CB-CB 4.12Å; T269-A320 HydrophobicContact CG2-CB 3.86Å; W318-A320 HydrophobicContact CH2-CB 4.17Å; W318-A320 HydrophobicContact CZ2-CB 4.21Å
321	K	98	Very high	98.3	Very high	135 Å²	135	53.6 Å²	53.6	59%	0.587	27%	0.268	S	S	*	.			trans	-110.7	-31.3	-171.3	-61.1	168.1	-170.3	153.3	0	112.1	D244 E247 K319	D244-K321 PolarHBondContact OD1-N 3.2Å; D244-K321 VanDerWaalsContact OD1-N 3.14Å; D244-K321 PolarHBondContact OD2-N 3.32Å; E247-K321 IonicContact OE1-NZ 3.54Å; E247-K321 PolarHBondContact OE1-NZ 3.5Å; E247-K321 IonicContact OE2-NZ 2.71Å; E247-K321 PolarHBondContact OE2-NZ 3.29Å; K319-K321 WeakPolarHBondContact O-CG 3.3Å; K319-K321 PolarHBondContact O-N 3.27Å
322	Y	98.3	Very high	98.2	Very high	90 Å²	90	53.2 Å²	53.2	35%	0.353	26%	0.263	S	S	.	.			trans	-88.5	137.8	-174.6	-60.4	-58.6	0	0	0	111.1	H241 V243 D244 K326 M327	H241-Y322 HydrophobicContact CB-CD2 3.82Å; H241-Y322 HydrophobicContact CB-CG 4.21Å; H241-Y322 AromaticContact CG-CD2 3.63Å; H241-Y322 AromaticContact ND1-CD2 3.74Å; V243-Y322 HydrophobicContact CB-CE2 4.31Å; V243-Y322 HydrophobicContact CG1-CE2 4.3Å; D244-Y322 WeakPolarHBondContact OD1-CD2 3.38Å; D244-Y322 WeakPolarHBondContact OD2-CD2 3.31Å; D244-Y322 PolarHBondContact OD2-N 3.01Å; Y322-K326 HydrophobicContact CD1-CB 4.28Å; Y322-K326 HydrophobicContact CD1-CG 3.51Å; Y322-K326 HydrophobicContact CE1-CG 4.18Å; Y322-K326 HydrophobicContact CG-CG 3.96Å; Y322-M327 WeakPolarHBondContact O-CE 3.39Å
323	D	98	Very high	98.2	Very high	84 Å²	84	55.3 Å²	55.3	45%	0.449	28%	0.275	S	S	.	.			trans	-90.4	179.7	176.8	61.7	18.8	0	0	0	111.9	D325 K326 M327	D323-D325 PolarHBondContact O-N 2.69Å; D323-D325 PolarHBondContact OD1-N 3.43Å; D323-K326 PolarHBondContact O-N 3.23Å; D323-K326 PolarHBondContact OD1-N 3.39Å; D323-M327 VanDerWaalsContact O-CG 3.23Å; D323-M327 WeakPolarHBondContact O-CG 3.35Å; D323-M327 PolarHBondContact O-N 3.38Å
324	I	97.9	Very high	98.2	Very high	17 Å²	17	50.8 Å²	50.8	9%	0.087	25%	0.253	C	S	.	.	H	α-helix	trans	-59.7	-34	-179.8	-170.8	175.8	0	0	0	112.9	Y273 M278 A281 C328	Y273-I324 HydrophobicContact CD1-CD1 3.64Å; Y273-I324 HydrophobicContact CD2-CB 4.5Å; Y273-I324 HydrophobicContact CD2-CD1 4.21Å; Y273-I324 HydrophobicContact CE1-CB 4.14Å; Y273-I324 HydrophobicContact CE1-CD1 3.99Å; Y273-I324 HydrophobicContact CE1-CG2 3.92Å; Y273-I324 HydrophobicContact CE2-CB 4.05Å; Y273-I324 HydrophobicContact CG-CD1 3.75Å; M278-I324 HydrophobicContact CE-CD1 4.26Å; M278-I324 HydrophobicContact CE-CG1 4.04Å; M278-I324 HydrophobicContact SD-CD1 3.3Å; M278-I324 WeakPolarHBondContact SD-CD1 3.39Å; M278-I324 HydrophobicContact SD-CG1 3.66Å; A281-I324 HydrophobicContact CB-CD1 3.66Å; A281-I324 HydrophobicContact CB-CG1 3.66Å; I324-C328 PolarHBondContact O-N 3.09Å; I324-C328 VanDerWaalsContact O-N 3.07Å; I324-C328 PolarHBondContact O-SG 3.19Å; I324-C328 VanDerWaalsContact O-SG 3.33Å
325	D	98.2	Very high	98	Very high	45 Å²	45	43.8 Å²	43.8	24%	0.241	22%	0.22	C	C	.	.	H	α-helix	trans	-65.8	-50.8	179.4	-76.2	-37.6	0	0	0	109.4	K284 D323 M327 C328 E329	K284-D325 IonicContact NZ-OD1 3.8Å; K284-D325 PolarHBondContact NZ-OD1 3.03Å; K284-D325 IonicContact NZ-OD2 2.7Å; K284-D325 PolarHBondContact NZ-OD2 3.06Å; D323-D325 PolarHBondContact O-N 2.69Å; D323-D325 PolarHBondContact OD1-N 3.43Å; D325-M327 VanDerWaalsContact C-N 3.33Å; D325-M327 PolarHBondContact O-N 3.33Å; D325-C328 PolarHBondContact O-N 3.33Å; D325-C328 VanDerWaalsContact O-N 3.1Å; D325-E329 WeakPolarHBondContact O-CG 3.35Å; D325-E329 PolarHBondContact O-N 2.97Å
326	K	98.5	Very high	97.8	Very high	55 Å²	55	45.2 Å²	45.2	24%	0.239	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-38.4	178.9	-174.5	51	169.4	165.9	0	112.8	Y322 D323 C328 E329 D330	Y322-K326 HydrophobicContact CD1-CB 4.28Å; Y322-K326 HydrophobicContact CD1-CG 3.51Å; Y322-K326 HydrophobicContact CE1-CG 4.18Å; Y322-K326 HydrophobicContact CG-CG 3.96Å; D323-K326 PolarHBondContact O-N 3.23Å; D323-K326 PolarHBondContact OD1-N 3.39Å; K326-C328 VanDerWaalsContact C-N 3.33Å; K326-C328 PolarHBondContact O-N 2.88Å; K326-E329 PolarHBondContact O-N 3.02Å; K326-D330 WeakPolarHBondContact CE-OD1 3.38Å; K326-D330 WeakPolarHBondContact CE-OD2 3.5Å; K326-D330 VanDerWaalsContact NZ-CG 3.3Å; K326-D330 IonicContact NZ-OD1 3.42Å; K326-D330 PolarHBondContact NZ-OD1 3.23Å; K326-D330 IonicContact NZ-OD2 3.4Å; K326-D330 PolarHBondContact NZ-OD2 3.18Å; K326-D330 PolarHBondContact O-N 3.22Å
327	M	98.6	Very high	97.7	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-56.4	-46.1	172.2	-68.8	171.7	-149.9	0	0	112.1	V187 G188 Y239 H241 T269 Y322 D323 D325 L331	V187-M327 HydrophobicContact CG2-CB 3.79Å; V187-M327 HydrophobicContact CG2-CG 3.74Å; V187-M327 HydrophobicContact CG2-SD 3.36Å; V187-M327 WeakPolarHBondContact CG2-SD 3.49Å; G188-M327 WeakPolarHBondContact CA-O 3.36Å; Y239-M327 WeakPolarHBondContact O-CE 3.16Å; H241-M327 HydrophobicContact CB-CE 4.35Å; H241-M327 HydrophobicContact CB-CG 3.85Å; T269-M327 HydrophobicContact CG2-CE 4.13Å; Y322-M327 WeakPolarHBondContact O-CE 3.39Å; D323-M327 VanDerWaalsContact O-CG 3.23Å; D323-M327 WeakPolarHBondContact O-CG 3.35Å; D323-M327 PolarHBondContact O-N 3.38Å; D325-M327 VanDerWaalsContact C-N 3.33Å; D325-M327 PolarHBondContact O-N 3.33Å; M327-L331 WeakPolarHBondContact O-CB 3.35Å; M327-L331 PolarHBondContact O-N 2.89Å
328	C	98.5	Very high	97.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-72	-39.5	-179.9	-70.3	0	0	0	0	112.3	M282 A285 I324 D325 K326 W332	M282-C328 HydrophobicContact CE-CB 3.67Å; M282-C328 HydrophobicContact SD-CB 4.36Å; A285-C328 HydrophobicContact CB-CB 3.68Å; I324-C328 PolarHBondContact O-N 3.09Å; I324-C328 VanDerWaalsContact O-N 3.07Å; I324-C328 PolarHBondContact O-SG 3.19Å; I324-C328 VanDerWaalsContact O-SG 3.33Å; D325-C328 PolarHBondContact O-N 3.33Å; D325-C328 VanDerWaalsContact O-N 3.1Å; K326-C328 VanDerWaalsContact C-N 3.33Å; K326-C328 PolarHBondContact O-N 2.88Å; C328-W332 VanDerWaalsContact O-CB 3.29Å; C328-W332 WeakPolarHBondContact O-CB 3.42Å; C328-W332 PolarHBondContact O-N 2.94Å
329	E	98.4	Very high	97.1	Very high	98 Å²	98	49 Å²	49	46%	0.458	24%	0.238	S	C	.	.	H	α-helix	trans	-59.9	-51.9	176.6	-74.8	175.3	-174.8	0	0	112.5	A285 D325 K326 L331 W332 N333	A285-E329 HydrophobicContact CB-CG 4.28Å; D325-E329 WeakPolarHBondContact O-CG 3.35Å; D325-E329 PolarHBondContact O-N 2.97Å; K326-E329 PolarHBondContact O-N 3.02Å; E329-L331 PolarHBondContact O-N 3.33Å; E329-W332 PolarHBondContact O-N 3.45Å; E329-N333 WeakPolarHBondContact O-CB 3.23Å; E329-N333 PolarHBondContact O-N 2.83Å
330	D	98.6	Very high	96.6	Very high	9 Å²	9	48 Å²	48	5%	0.048	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-39.1	-177.7	-78	-13.5	0	0	0	111.2	H241 K326 N333 W334	H241-D330 IonicContact CE1-OD2 2.69Å; H241-D330 IonicContact NE2-OD2 3.43Å; H241-D330 PolarHBondContact NE2-OD2 3.13Å; K326-D330 WeakPolarHBondContact CE-OD1 3.38Å; K326-D330 WeakPolarHBondContact CE-OD2 3.5Å; K326-D330 VanDerWaalsContact NZ-CG 3.3Å; K326-D330 IonicContact NZ-OD1 3.42Å; K326-D330 PolarHBondContact NZ-OD1 3.23Å; K326-D330 IonicContact NZ-OD2 3.4Å; K326-D330 PolarHBondContact NZ-OD2 3.18Å; K326-D330 PolarHBondContact O-N 3.22Å; D330-N333 PolarHBondContact O-N 2.91Å; D330-W334 PolarHBondContact O-N 3.27Å
331	L	97.6	Very high	96.2	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.026	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-43.7	174	178.8	57.2	0	0	0	112.1	M207 T211 M282 M327 E329 W334 Q335	M207-L331 HydrophobicContact CB-CD2 3.71Å; M207-L331 HydrophobicContact CE-CD2 4.11Å; T211-L331 HydrophobicContact CG2-CD1 4.15Å; T211-L331 HydrophobicContact CG2-CD2 3.54Å; T211-L331 HydrophobicContact CG2-CG 3.52Å; M282-L331 HydrophobicContact CE-CB 4.33Å; M282-L331 HydrophobicContact CE-CD2 3.76Å; M282-L331 HydrophobicContact CE-CG 4.19Å; M327-L331 WeakPolarHBondContact O-CB 3.35Å; M327-L331 PolarHBondContact O-N 2.89Å; E329-L331 PolarHBondContact O-N 3.33Å; L331-W334 WeakPolarHBondContact O-CB 3.46Å; L331-W334 PolarHBondContact O-N 2.81Å; L331-Q335 PolarHBondContact O-N 3.23Å
332	W	97.7	Very high	96	Very high	41 Å²	41	41.3 Å²	41.3	16%	0.155	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-41.6	177.4	-176.6	-120.1	0	0	0	112	A214 M282 K288 C328 E329 W334 Q335 V336	A214-W332 HydrophobicContact CB-CE3 4.41Å; A214-W332 HydrophobicContact CB-CH2 4.16Å; A214-W332 HydrophobicContact CB-CZ3 3.7Å; M282-W332 HydrophobicContact SD-CB 4.2Å; K288-W332 HydrophobicContact CG-CZ2 4.45Å; C328-W332 VanDerWaalsContact O-CB 3.29Å; C328-W332 WeakPolarHBondContact O-CB 3.42Å; C328-W332 PolarHBondContact O-N 2.94Å; E329-W332 PolarHBondContact O-N 3.45Å; W332-W334 VanDerWaalsContact C-N 3.3Å; W332-W334 PolarHBondContact O-N 3.34Å; W332-Q335 HydrophobicContact CE3-CB 4.23Å; W332-Q335 HydrophobicContact CE3-CG 4.4Å; W332-Q335 HydrophobicContact CZ3-CG 4.21Å; W332-Q335 PolarHBondContact O-N 3.37Å; W332-Q335 VanDerWaalsContact O-N 3.15Å; W332-V336 HydrophobicContact CD2-CG2 3.76Å; W332-V336 HydrophobicContact CE3-CG2 4.36Å; W332-V336 HydrophobicContact CG-CG2 4.2Å; W332-V336 HydrophobicContact CH2-CG2 4.19Å; W332-V336 HydrophobicContact CZ2-CG2 3.56Å; W332-V336 WeakPolarHBondContact O-CB 3.43Å; W332-V336 WeakPolarHBondContact O-CG2 3.2Å; W332-V336 PolarHBondContact O-N 2.83Å
333	N	97.9	Very high	95.2	Very high	44 Å²	44	43.8 Å²	43.8	24%	0.235	22%	0.223	C	C	.	.	H	α-helix	trans	-57.6	-41.1	174.1	170.3	54.4	0	0	0	112.2	A191 G193 E329 D330 K337	A191-N333 PolarHBondContact O-ND2 3.21Å; G193-N333 PolarHBondContact N-ND2 2.91Å; E329-N333 WeakPolarHBondContact O-CB 3.23Å; E329-N333 PolarHBondContact O-N 2.83Å; D330-N333 PolarHBondContact O-N 2.91Å; N333-K337 WeakPolarHBondContact O-CG 3.41Å; N333-K337 PolarHBondContact O-N 3.38Å; N333-K337 VanDerWaalsContact OD1-CE 3.26Å; N333-K337 WeakPolarHBondContact OD1-CE 3.31Å; N333-K337 PolarHBondContact OD1-NZ 3.13Å
334	W	97.3	Very high	93.4	Very high	2 Å²	2	42 Å²	42	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-53.5	170.5	165.7	-106.9	0	0	0	111.9	A189 L194 I195 E197 D198 D330 L331 W332 V336 K337 N338 Y342	A189-W334 HydrophobicContact CB-CB 3.55Å; A189-W334 HydrophobicContact CB-CG 4.12Å; L194-W334 WeakPolarHBondContact O-CZ3 3.5Å; I195-W334 VanDerWaalsContact CA-CZ3 3.49Å; E197-W334 PolarHBondContact O-NE1 3.29Å; D198-W334 HydrophobicContact CB-CZ2 4.5Å; D330-W334 PolarHBondContact O-N 3.27Å; L331-W334 WeakPolarHBondContact O-CB 3.46Å; L331-W334 PolarHBondContact O-N 2.81Å; W332-W334 VanDerWaalsContact C-N 3.3Å; W332-W334 PolarHBondContact O-N 3.34Å; W334-V336 VanDerWaalsContact C-N 3.34Å; W334-V336 PolarHBondContact O-N 3.39Å; W334-K337 PolarHBondContact O-N 3.37Å; W334-N338 HydrophobicContact CD2-CB 4.33Å; W334-N338 HydrophobicContact CE3-CB 4.3Å; W334-N338 HydrophobicContact CH2-CB 3.86Å; W334-N338 VanDerWaalsContact CH2-CG 3.49Å; W334-N338 HydrophobicContact CZ2-CB 4Å; W334-N338 HydrophobicContact CZ3-CB 4Å; W334-N338 WeakPolarHBondContact CZ3-ND2 3.43Å; W334-N338 WeakPolarHBondContact CZ3-OD1 3.46Å; W334-N338 WeakPolarHBondContact O-CB 3.42Å; W334-N338 PolarHBondContact O-N 3.23Å; W334-N338 PolarHBondContact O-ND2 3.31Å; W334-Y342 AromaticContact CH2-CD1 3.62Å; W334-Y342 HydrophobicContact CH2-CD1 3.62Å; W334-Y342 AromaticContact CH2-CE1 3.17Å; W334-Y342 HydrophobicContact CH2-CE1 3.17Å; W334-Y342 HydrophobicContact CH2-CE2 4.21Å; W334-Y342 HydrophobicContact CH2-CG 4.29Å; W334-Y342 AromaticContact CH2-CZ 3.49Å; W334-Y342 VanDerWaalsContact CH2-CZ 3.49Å; W334-Y342 HydrophobicContact CZ2-CD1 4.19Å; W334-Y342 HydrophobicContact CZ2-CD2 4.36Å; W334-Y342 AromaticContact CZ2-CE1 3.76Å; W334-Y342 HydrophobicContact CZ2-CE1 3.76Å; W334-Y342 AromaticContact CZ2-CE2 3.93Å; W334-Y342 HydrophobicContact CZ2-CE2 3.93Å; W334-Y342 HydrophobicContact CZ2-CG 4.46Å; W334-Y342 AromaticContact CZ2-CZ 3.58Å; W334-Y342 HydrophobicContact CZ3-CE1 4.08Å
335	Q	94.6	Very high	91.1	Very high	15 Å²	15	45.3 Å²	45.3	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-39.4	-175.1	-175.1	65.9	76.4	0	0	112.8	T211 L331 W332 N338 P339	T211-Q335 PolarHBondContact OG1-OE1 3.49Å; L331-Q335 PolarHBondContact O-N 3.23Å; W332-Q335 HydrophobicContact CE3-CB 4.23Å; W332-Q335 HydrophobicContact CE3-CG 4.4Å; W332-Q335 HydrophobicContact CZ3-CG 4.21Å; W332-Q335 PolarHBondContact O-N 3.37Å; W332-Q335 VanDerWaalsContact O-N 3.15Å; Q335-N338 PolarHBondContact NE2-O 3.41Å; Q335-N338 CarbonylContact O-C 3.5Å; Q335-N338 PolarHBondContact O-N 3.35Å; Q335-P339 WeakPolarHBondContact O-CA 3.48Å
336	V	94.5	Very high	88.8	Confident	86 Å²	86	45.3 Å²	45.3	52%	0.521	24%	0.239	S	C	.	.	H	α-helix	trans	-66.2	-42.4	178.6	169.4	0	0	0	0	111.6	W332 W334 N338	W332-V336 HydrophobicContact CD2-CG2 3.76Å; W332-V336 HydrophobicContact CE3-CG2 4.36Å; W332-V336 HydrophobicContact CG-CG2 4.2Å; W332-V336 HydrophobicContact CH2-CG2 4.19Å; W332-V336 HydrophobicContact CZ2-CG2 3.56Å; W332-V336 WeakPolarHBondContact O-CB 3.43Å; W332-V336 WeakPolarHBondContact O-CG2 3.2Å; W332-V336 PolarHBondContact O-N 2.83Å; W334-V336 VanDerWaalsContact C-N 3.34Å; W334-V336 PolarHBondContact O-N 3.39Å; V336-N338 VanDerWaalsContact C-N 3.29Å
337	K	95	Very high	85.9	Confident	94 Å²	94	50.7 Å²	50.7	41%	0.409	27%	0.265	S	S	.	.	H	α-helix	trans	-74.5	-21.4	178.2	-74.9	170.7	173	162.5	0	112.9	S192 N333 W334	S192-K337 PolarHBondContact O-NZ 2.88Å; N333-K337 WeakPolarHBondContact O-CG 3.41Å; N333-K337 PolarHBondContact O-N 3.38Å; N333-K337 VanDerWaalsContact OD1-CE 3.26Å; N333-K337 WeakPolarHBondContact OD1-CE 3.31Å; N333-K337 PolarHBondContact OD1-NZ 3.13Å; W334-K337 PolarHBondContact O-N 3.37Å
338	N	93.5	Very high	83.3	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.021	29%	0.294	C	S	.	.			trans	-135	64	-173.2	-52.3	-91	0	0	0	109.8	R49 G193 W334 Q335 V336 Q340 G341	R49-N338 PolarHBondContact NH1-OD1 2.83Å; R49-N338 PolarHBondContact NH2-OD1 2.77Å; G193-N338 PolarHBondContact O-ND2 3.43Å; W334-N338 HydrophobicContact CD2-CB 4.33Å; W334-N338 HydrophobicContact CE3-CB 4.3Å; W334-N338 HydrophobicContact CH2-CB 3.86Å; W334-N338 VanDerWaalsContact CH2-CG 3.49Å; W334-N338 HydrophobicContact CZ2-CB 4Å; W334-N338 HydrophobicContact CZ3-CB 4Å; W334-N338 WeakPolarHBondContact CZ3-ND2 3.43Å; W334-N338 WeakPolarHBondContact CZ3-OD1 3.46Å; W334-N338 WeakPolarHBondContact O-CB 3.42Å; W334-N338 PolarHBondContact O-N 3.23Å; W334-N338 PolarHBondContact O-ND2 3.31Å; Q335-N338 PolarHBondContact NE2-O 3.41Å; Q335-N338 CarbonylContact O-C 3.5Å; Q335-N338 PolarHBondContact O-N 3.35Å; V336-N338 VanDerWaalsContact C-N 3.29Å; N338-Q340 PolarHBondContact O-N 2.87Å; N338-Q340 VanDerWaalsContact O-N 3.13Å; N338-G341 PolarHBondContact O-N 3.14Å
339	P	90.2	Very high	80.1	Confident	62 Å²	62	65.1 Å²	65.1	40%	0.403	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.4	-173.2	24.5	-34.5	0	0	0	113.3	Q335	Q335-P339 WeakPolarHBondContact O-CA 3.48Å
340	Q	88.3	Confident	77	Confident	104 Å²	104	71.8 Å²	71.8	49%	0.486	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	28.9	175	-59.3	-62.5	-32.2	0	0	111.4	N338 L343 T344	N338-Q340 PolarHBondContact O-N 2.87Å; N338-Q340 VanDerWaalsContact O-N 3.13Å; Q340-L343 HydrophobicContact CB-CB 4.46Å; Q340-L343 WeakPolarHBondContact O-CB 3.45Å; Q340-L343 PolarHBondContact O-N 2.86Å; Q340-T344 HydrophobicContact CB-CG2 4.25Å
341	G	91.6	Very high	75.9	Confident	4 Å²	4	75 Å²	75	4%	0.041	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	58.1	-139.2	-175.3	0	0	0	0	0	112	D198 N338 L343 T344	D198-G341 WeakPolarHBondContact OD2-CA 3.21Å; N338-G341 PolarHBondContact O-N 3.14Å; G341-L343 VanDerWaalsContact C-N 3.25Å; G341-L343 PolarHBondContact O-N 2.85Å; G341-T344 PolarHBondContact O-OG1 3.34Å
342	Y	92.4	Very high	74.8	Confident	6 Å²	6	78.6 Å²	78.6	2%	0.024	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-76.9	-2.6	-177.8	-64.3	-71.3	0	0	0	114.4	N45 C46 R49 I195 G196 D198 W334 T344	N45-Y342 PolarHBondContact ND2-O 2.85Å; C46-Y342 HydrophobicContact CB-CD1 4.25Å; C46-Y342 HydrophobicContact CB-CD2 4.35Å; C46-Y342 HydrophobicContact CB-CE1 3.88Å; C46-Y342 HydrophobicContact CB-CE2 4.02Å; C46-Y342 HydrophobicContact CB-CG 4.49Å; C46-Y342 PolarHBondContact SG-OH 3.27Å; R49-Y342 HydrophobicContact CB-CE1 4.45Å; R49-Y342 HydrophobicContact CG-CD1 3.95Å; R49-Y342 HydrophobicContact CG-CE1 3.86Å; I195-Y342 WeakPolarHBondContact CA-OH 3.12Å; G196-Y342 PolarHBondContact N-OH 2.86Å; G196-Y342 PolarHBondContact O-OH 3.13Å; D198-Y342 HydrophobicContact CB-CD2 3.49Å; D198-Y342 VanDerWaalsContact CB-CD2 3.49Å; D198-Y342 HydrophobicContact CB-CE2 3.52Å; D198-Y342 WeakPolarHBondContact OD2-CD2 3.34Å; D198-Y342 PolarHBondContact OD2-N 3.22Å; W334-Y342 AromaticContact CH2-CD1 3.62Å; W334-Y342 HydrophobicContact CH2-CD1 3.62Å; W334-Y342 AromaticContact CH2-CE1 3.17Å; W334-Y342 HydrophobicContact CH2-CE1 3.17Å; W334-Y342 HydrophobicContact CH2-CE2 4.21Å; W334-Y342 HydrophobicContact CH2-CG 4.29Å; W334-Y342 AromaticContact CH2-CZ 3.49Å; W334-Y342 VanDerWaalsContact CH2-CZ 3.49Å; W334-Y342 HydrophobicContact CZ2-CD1 4.19Å; W334-Y342 HydrophobicContact CZ2-CD2 4.36Å; W334-Y342 AromaticContact CZ2-CE1 3.76Å; W334-Y342 HydrophobicContact CZ2-CE1 3.76Å; W334-Y342 AromaticContact CZ2-CE2 3.93Å; W334-Y342 HydrophobicContact CZ2-CE2 3.93Å; W334-Y342 HydrophobicContact CZ2-CG 4.46Å; W334-Y342 AromaticContact CZ2-CZ 3.58Å; W334-Y342 HydrophobicContact CZ3-CE1 4.08Å; Y342-T344 PolarHBondContact O-N 2.97Å
343	L	82	Confident	73.5	Confident	142 Å²	142	80.7 Å²	80.7	74%	0.743	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-69	-20.6	178.4	-68.1	174.4	0	0	0	113.4	Q340 G341 S345	Q340-L343 HydrophobicContact CB-CB 4.46Å; Q340-L343 WeakPolarHBondContact O-CB 3.45Å; Q340-L343 PolarHBondContact O-N 2.86Å; G341-L343 VanDerWaalsContact C-N 3.25Å; G341-L343 PolarHBondContact O-N 2.85Å; L343-S345 PolarHBondContact O-N 3.09Å
344	T	60.8	Low	72.1	Confident	48 Å²	48	82.9 Å²	82.9	29%	0.294	44%	0.435	S	S	.	.	S	Bend	trans	-79.1	115.4	177.2	44.1	0	0	0	0	110.7	R49 Q340 G341 Y342 I346	R49-T344 PolarHBondContact NH2-O 2.98Å; Q340-T344 HydrophobicContact CB-CG2 4.25Å; G341-T344 PolarHBondContact O-OG1 3.34Å; Y342-T344 PolarHBondContact O-N 2.97Å; T344-I346 PolarHBondContact O-N 3.31Å
345	S	49.7	Very low	70.5	Confident	85 Å²	85	87.9 Å²	87.9	59%	0.594	46%	0.462	S	S	*	.			trans	-61	128.8	163	53.5	0	0	0	0	107.9	L343 H347	L343-S345 PolarHBondContact O-N 3.09Å; S345-H347 VanDerWaalsContact C-N 3.34Å; S345-H347 PolarHBondContact O-N 3.37Å
346	I	49.4	Very low	68.9	Low	46 Å²	46	92.8 Å²	92.8	24%	0.236	49%	0.488	C	S	.	.			trans	-70.8	94.6	177.6	-61.3	169.9	0	0	0	108	K52 L194 T344 F348	K52-I346 HydrophobicContact CD-CD1 4.23Å; L194-I346 HydrophobicContact CD2-CD1 4.15Å; T344-I346 PolarHBondContact O-N 3.31Å; I346-F348 HydrophobicContact CB-CD2 4.49Å; I346-F348 HydrophobicContact CB-CE2 4.5Å; I346-F348 HydrophobicContact CG2-CB 4.33Å; I346-F348 HydrophobicContact CG2-CD2 2.98Å; I346-F348 HydrophobicContact CG2-CE2 3.21Å; I346-F348 HydrophobicContact CG2-CG 3.76Å; I346-F348 HydrophobicContact CG2-CZ 4.15Å
347	H	36.8	Very low	67.1	Low	168 Å²	168	93.3 Å²	93.3	78%	0.778	49%	0.485	S	S	*	.			trans	-93.5	85.6	156.7	-72.5	-48	0	0	0	108	S345	S345-H347 VanDerWaalsContact C-N 3.34Å; S345-H347 PolarHBondContact O-N 3.37Å
348	F	45	Very low	65	Low	144 Å²	144	93.2 Å²	93.2	63%	0.632	49%	0.491	S	S	*	.			trans	-88.9	118.1	157.1	-68	-55.3	0	0	0	106.9	I346	I346-F348 HydrophobicContact CB-CD2 4.49Å; I346-F348 HydrophobicContact CB-CE2 4.5Å; I346-F348 HydrophobicContact CG2-CB 4.33Å; I346-F348 HydrophobicContact CG2-CD2 2.98Å; I346-F348 HydrophobicContact CG2-CE2 3.21Å; I346-F348 HydrophobicContact CG2-CG 3.76Å; I346-F348 HydrophobicContact CG2-CZ 4.15Å
349	N	30	Very low	62.6	Low	161 Å²	161	100.7 Å²	100.7	86%	0.861	53%	0.53	S	S	*	.			trans	-62.4	134.3	163.2	-76.3	-27.1	0	0	0	107.8
350	N	34.7	Very low	60.1	Low	238 Å²	238	104.2 Å²	104.2	100%	1.273	54%	0.542	S	S	*	.			trans	-50.7	0	171.1	-75	-28.3	0	0	0	112.7

Retrieved 350 of 350 residues in 1360.7 ms (Link to these results)

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