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Putative multidrug export ATP-binding/permease protein SAV1866

May be involved in multidrug export. Transmembrane domains (TMD) form a pore in the cell membrane and the ATP-binding domain (NBD) is responsible for energy generation.

AlphaFold DB (Q2G2M9), UniProt , Accession Q99T13, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene n/a, Length 578 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	82.7	Confident	89.8	Confident	59 Å²	59	77.9 Å²	77.9	29%	0.291	37%	0.372	S	S	.	.				0	-70.7	0	-174.5	-96.4	-84	0	0	113.3	K3 R4 Y5 F308 M311 D312 F315	M1-K3 PolarHBondContact O-N 3.45Å; M1-R4 WeakPolarHBondContact O-CA 3.43Å; M1-R4 WeakPolarHBondContact O-CB 3.45Å; M1-R4 PolarHBondContact O-N 3.21Å; M1-Y5 PolarHBondContact O-N 3.18Å; M1-Y5 VanDerWaalsContact O-N 3.08Å; M1-F308 HydrophobicContact CE-CB 3.95Å; M1-F308 HydrophobicContact CE-CD1 3.9Å; M1-F308 HydrophobicContact CE-CG 4.29Å; M1-F308 WeakPolarHBondContact CE-O 3.14Å; M1-F308 HydrophobicContact SD-CD1 4.35Å; M1-M311 HydrophobicContact CE-CB 3.94Å; M1-M311 HydrophobicContact CG-CB 4.12Å; M1-M311 HydrophobicContact SD-CB 3.57Å; M1-M311 VanDerWaalsContact SD-CB 3.57Å; M1-M311 HydrophobicContact SD-CE 3.76Å; M1-M311 HydrophobicContact SD-CG 4.31Å; M1-M311 HydrophobicContact SD-SD 3.92Å; M1-D312 WeakPolarHBondContact CE-OD1 3.24Å; M1-F315 HydrophobicContact CG-CD2 3.55Å; M1-F315 HydrophobicContact CG-CE2 4.03Å; M1-F315 HydrophobicContact CG-CG 4.49Å
2	I	86.4	Confident	90	Very high	73 Å²	73	74 Å²	74	37%	0.374	35%	0.351	S	S	.	.	H	α-helix	trans	-53.4	-46.7	-175.3	-61.4	175	0	0	0	113	R4 Y5 L6 F134 F308	I2-R4 PolarHBondContact O-N 3.29Å; I2-Y5 PolarHBondContact O-N 3.46Å; I2-Y5 VanDerWaalsContact O-N 3.1Å; I2-L6 HydrophobicContact CG2-CD1 4.12Å; I2-L6 HydrophobicContact CG2-CG 4.29Å; I2-L6 WeakPolarHBondContact O-CG 3.4Å; I2-L6 PolarHBondContact O-N 3.19Å; I2-F134 HydrophobicContact CG2-CZ 3.96Å; I2-F308 HydrophobicContact CD1-CD1 4.39Å; I2-F308 HydrophobicContact CD1-CE1 3.61Å; I2-F308 HydrophobicContact CD1-CZ 3.85Å; I2-F308 HydrophobicContact CG1-CD1 4.32Å; I2-F308 HydrophobicContact CG1-CE1 3.79Å
3	K	88.2	Confident	90	Very high	185 Å²	185	76.4 Å²	76.4	80%	0.804	36%	0.359	S	S	*	.	H	α-helix	trans	-54.8	-34.8	175.9	-70	-175.3	178.4	-179.4	0	113.3	M1	M1-K3 PolarHBondContact O-N 3.45Å
4	R	89.6	Confident	90	Very high	68 Å²	68	83.1 Å²	83.1	26%	0.257	38%	0.381	S	S	.	.	H	α-helix	trans	-74.9	-41.6	177.9	-64.8	173.7	60.6	-168.9	2.3	111.1	M1 I2 L6 Q7 F315 D319	M1-R4 WeakPolarHBondContact O-CA 3.43Å; M1-R4 WeakPolarHBondContact O-CB 3.45Å; M1-R4 PolarHBondContact O-N 3.21Å; I2-R4 PolarHBondContact O-N 3.29Å; R4-L6 VanDerWaalsContact C-N 3.28Å; R4-L6 PolarHBondContact O-N 2.73Å; R4-Q7 VanDerWaalsContact O-CB 3.24Å; R4-Q7 WeakPolarHBondContact O-CB 3.31Å; R4-Q7 PolarHBondContact O-N 3.45Å; R4-F315 HydrophobicContact CB-CD1 4.33Å; R4-F315 HydrophobicContact CB-CE1 3.65Å; R4-F315 HydrophobicContact CB-CE2 4.41Å; R4-F315 HydrophobicContact CB-CZ 3.71Å; R4-D319 IonicContact CZ-OD1 2.58Å; R4-D319 IonicContact CZ-OD2 2.96Å; R4-D319 IonicContact NH1-OD1 2.74Å; R4-D319 PolarHBondContact NH1-OD1 3.37Å; R4-D319 IonicContact NH1-OD2 3.67Å; R4-D319 PolarHBondContact NH1-OD2 3.25Å; R4-D319 IonicContact NH2-OD1 3.25Å; R4-D319 PolarHBondContact NH2-OD1 3.39Å; R4-D319 IonicContact NH2-OD2 2.66Å
5	Y	90.9	Very high	90	Very high	2 Å²	2	84.8 Å²	84.8	1%	0.008	38%	0.383	C	S	.	.	H	α-helix	trans	-60.9	-40.5	174.3	-167.2	-93.2	0	0	0	112	M1 I2 Q7 F8 V9 I92 I96 T131 F134 I135 M311 F315	M1-Y5 PolarHBondContact O-N 3.18Å; M1-Y5 VanDerWaalsContact O-N 3.08Å; I2-Y5 PolarHBondContact O-N 3.46Å; I2-Y5 VanDerWaalsContact O-N 3.1Å; Y5-Q7 PolarHBondContact O-N 3.01Å; Y5-F8 WeakPolarHBondContact O-CB 3.14Å; Y5-F8 PolarHBondContact O-N 3.44Å; Y5-V9 HydrophobicContact CD1-CG2 3.66Å; Y5-V9 HydrophobicContact CE1-CG2 3.67Å; Y5-V9 PolarHBondContact O-N 3.17Å; Y5-I92 HydrophobicContact CE1-CG2 4.48Å; Y5-I96 HydrophobicContact CD2-CD1 4.18Å; Y5-I96 HydrophobicContact CE2-CD1 3.43Å; Y5-I96 VanDerWaalsContact CE2-CD1 3.43Å; Y5-T131 HydrophobicContact CE2-CG2 4.27Å; Y5-T131 PolarHBondContact OH-O 3.44Å; Y5-T131 VanDerWaalsContact OH-O 3.12Å; Y5-T131 PolarHBondContact OH-OG1 3.21Å; Y5-F134 AromaticContact CD1-CD1 3.57Å; Y5-F134 HydrophobicContact CD1-CD1 3.57Å; Y5-F134 AromaticContact CD1-CE1 3.85Å; Y5-F134 HydrophobicContact CD1-CE1 3.85Å; Y5-F134 AromaticContact CE1-CD1 3.58Å; Y5-F134 HydrophobicContact CE1-CD1 3.58Å; Y5-F134 HydrophobicContact CE1-CE1 4.25Å; Y5-I135 HydrophobicContact CE1-CD1 4.21Å; Y5-I135 HydrophobicContact CE1-CG1 3.92Å; Y5-I135 VanDerWaalsContact OH-CD1 3.26Å; Y5-I135 WeakPolarHBondContact OH-CD1 3.46Å; Y5-M311 HydrophobicContact CD1-CE 3.67Å; Y5-M311 HydrophobicContact CD2-CE 3.4Å; Y5-M311 HydrophobicContact CD2-CG 4.29Å; Y5-M311 HydrophobicContact CE1-CE 4.31Å; Y5-M311 HydrophobicContact CE2-CE 4.05Å; Y5-M311 HydrophobicContact CE2-CG 4.47Å; Y5-M311 HydrophobicContact CG-CE 3.16Å; Y5-F315 HydrophobicContact CD2-CE2 4.21Å; Y5-F315 HydrophobicContact CD2-CZ 4.41Å
6	L	91.7	Very high	89.9	Confident	71 Å²	71	80.3 Å²	80.3	37%	0.372	36%	0.364	S	S	.	.	H	α-helix	trans	-59.7	-18.3	176.2	-69.6	174.7	0	0	0	113.5	I2 R4 V9 K10 F134 L139	I2-L6 HydrophobicContact CG2-CD1 4.12Å; I2-L6 HydrophobicContact CG2-CG 4.29Å; I2-L6 WeakPolarHBondContact O-CG 3.4Å; I2-L6 PolarHBondContact O-N 3.19Å; R4-L6 VanDerWaalsContact C-N 3.28Å; R4-L6 PolarHBondContact O-N 2.73Å; L6-V9 HydrophobicContact CD2-CB 4.29Å; L6-V9 HydrophobicContact CD2-CG1 4.48Å; L6-V9 HydrophobicContact CD2-CG2 4.31Å; L6-V9 PolarHBondContact O-N 3.19Å; L6-K10 WeakPolarHBondContact O-CB 3.37Å; L6-K10 PolarHBondContact O-N 3.33Å; L6-F134 HydrophobicContact CD2-CE1 4.38Å; L6-L139 HydrophobicContact CD2-CD1 4.37Å
7	Q	91.9	Very high	89.9	Confident	126 Å²	126	83.4 Å²	83.4	59%	0.589	38%	0.376	S	S	*	.	H	α-helix	trans	-66.9	-37.2	171.7	-61.5	178.2	-19.9	0	0	112	R4 Y5 V9 P11	R4-Q7 VanDerWaalsContact O-CB 3.24Å; R4-Q7 WeakPolarHBondContact O-CB 3.31Å; R4-Q7 PolarHBondContact O-N 3.45Å; Y5-Q7 PolarHBondContact O-N 3.01Å; Q7-V9 VanDerWaalsContact C-N 3.29Å; Q7-P11 WeakPolarHBondContact O-CD 3.38Å
8	F	90.8	Very high	89.9	Confident	23 Å²	23	80.9 Å²	80.9	10%	0.101	37%	0.373	C	S	.	.	H	α-helix	trans	-72.7	-26.2	172.6	-63.1	-84.2	0	0	0	112.2	Y5 P11 Y12 I92 D95 I96 K99 F315	Y5-F8 WeakPolarHBondContact O-CB 3.14Å; Y5-F8 PolarHBondContact O-N 3.44Å; F8-P11 WeakPolarHBondContact O-CD 3.41Å; F8-Y12 WeakPolarHBondContact O-CD2 3.46Å; F8-I92 HydrophobicContact CB-CG2 4Å; F8-D95 HydrophobicContact CD1-CB 4.32Å; F8-I96 HydrophobicContact CB-CG1 4.31Å; F8-I96 HydrophobicContact CD1-CG1 3.72Å; F8-I96 HydrophobicContact CD2-CG1 4.04Å; F8-I96 HydrophobicContact CE1-CG1 3.88Å; F8-I96 HydrophobicContact CE2-CG1 4.19Å; F8-I96 HydrophobicContact CG-CD1 4.45Å; F8-I96 HydrophobicContact CG-CG1 3.78Å; F8-I96 HydrophobicContact CZ-CG1 4.08Å; F8-K99 HydrophobicContact CE1-CB 4.21Å; F8-K99 HydrophobicContact CE1-CD 3.8Å; F8-K99 HydrophobicContact CZ-CB 4.5Å; F8-K99 HydrophobicContact CZ-CD 3.54Å; F8-F315 HydrophobicContact CE2-CE1 4.2Å; F8-F315 HydrophobicContact CE2-CZ 4.21Å
9	V	91.3	Very high	89.8	Confident	9 Å²	9	76.7 Å²	76.7	6%	0.055	35%	0.354	C	S	.	.	H	α-helix	trans	-78.7	-32.4	177.6	-177.5	0	0	0	0	112	Y5 L6 Q7 P11 Y12 K13 I16 I92 L139	Y5-V9 HydrophobicContact CD1-CG2 3.66Å; Y5-V9 HydrophobicContact CE1-CG2 3.67Å; Y5-V9 PolarHBondContact O-N 3.17Å; L6-V9 HydrophobicContact CD2-CB 4.29Å; L6-V9 HydrophobicContact CD2-CG1 4.48Å; L6-V9 HydrophobicContact CD2-CG2 4.31Å; L6-V9 PolarHBondContact O-N 3.19Å; Q7-V9 VanDerWaalsContact C-N 3.29Å; V9-P11 VanDerWaalsContact C-CD 3.42Å; V9-Y12 CarbonylContact O-C 3.49Å; V9-Y12 WeakPolarHBondContact O-CA 2.97Å; V9-Y12 PolarHBondContact O-N 3.45Å; V9-K13 PolarHBondContact O-N 2.76Å; V9-I16 HydrophobicContact CG1-CD1 3.24Å; V9-I92 HydrophobicContact CB-CD1 4.42Å; V9-I92 HydrophobicContact CG1-CD1 4.45Å; V9-I92 HydrophobicContact CG2-CD1 4.14Å; V9-L139 HydrophobicContact CG1-CD1 3.9Å; V9-L139 HydrophobicContact CG2-CD1 4.22Å
10	K	91.1	Very high	89.8	Confident	149 Å²	149	74.6 Å²	74.6	65%	0.648	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-50.5	-42.8	-173.6	-175.4	-177.9	178.6	-175.1	0	114.5	L6 Y12 K13	L6-K10 WeakPolarHBondContact O-CB 3.37Å; L6-K10 PolarHBondContact O-N 3.33Å; K10-Y12 PolarHBondContact O-N 3.31Å; K10-K13 WeakPolarHBondContact O-CG 3.32Å; K10-K13 PolarHBondContact O-N 3.01Å
11	P	93	Very high	89.7	Confident	92 Å²	92	74.5 Å²	74.5	60%	0.597	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-60.5	-25.7	176.4	-23.7	35.3	0	0	0	113.5	Q7 F8 V9	Q7-P11 WeakPolarHBondContact O-CD 3.38Å; F8-P11 WeakPolarHBondContact O-CD 3.41Å; V9-P11 VanDerWaalsContact C-CD 3.42Å
12	Y	92.8	Very high	90	Very high	31 Å²	31	73 Å²	73	12%	0.122	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-103.4	8	-174.8	-53.4	-79.1	0	0	0	113.7	F8 V9 K10 Y14 R15 I16 W87 T88 K91 I92 D95	F8-Y12 WeakPolarHBondContact O-CD2 3.46Å; V9-Y12 CarbonylContact O-C 3.49Å; V9-Y12 WeakPolarHBondContact O-CA 2.97Å; V9-Y12 PolarHBondContact O-N 3.45Å; K10-Y12 PolarHBondContact O-N 3.31Å; Y12-Y14 VanDerWaalsContact C-N 3.28Å; Y12-Y14 PolarHBondContact O-N 3.49Å; Y12-Y14 VanDerWaalsContact O-N 3.15Å; Y12-R15 PolarHBondContact O-N 3.18Å; Y12-I16 PolarHBondContact O-N 2.98Å; Y12-W87 HydrophobicContact CD1-CH2 4.41Å; Y12-W87 AromaticContact CD1-CZ3 3.87Å; Y12-W87 HydrophobicContact CD1-CZ3 3.87Å; Y12-W87 HydrophobicContact CE1-CH2 4.05Å; Y12-W87 AromaticContact CE1-CZ3 3.89Å; Y12-W87 HydrophobicContact CE1-CZ3 3.89Å; Y12-T88 HydrophobicContact CG-CG2 4.25Å; Y12-K91 HydrophobicContact CE1-CB 3.82Å; Y12-K91 HydrophobicContact CE1-CG 4.49Å; Y12-I92 HydrophobicContact CD2-CD1 3.91Å; Y12-I92 HydrophobicContact CD2-CG1 3.38Å; Y12-I92 HydrophobicContact CE2-CG1 3.63Å; Y12-I92 HydrophobicContact CG-CD1 4.41Å; Y12-I92 HydrophobicContact CG-CG1 4.21Å; Y12-D95 VanDerWaalsContact CE2-OD2 3.28Å; Y12-D95 WeakPolarHBondContact CE2-OD2 3.45Å; Y12-D95 PolarHBondContact OH-OD2 3.33Å
13	K	90.3	Very high	90	Very high	105 Å²	105	69.5 Å²	69.5	46%	0.457	32%	0.323	S	S	.	.	H	α-helix	trans	-51.9	-40.6	-175	67.8	-176.7	-177.8	169.9	0	114	V9 K10 I16 F17	V9-K13 PolarHBondContact O-N 2.76Å; K10-K13 WeakPolarHBondContact O-CG 3.32Å; K10-K13 PolarHBondContact O-N 3.01Å; K13-I16 PolarHBondContact O-N 3.49Å; K13-F17 WeakPolarHBondContact O-CB 3.32Å; K13-F17 PolarHBondContact O-N 3.37Å
14	Y	89.7	Confident	90	Very high	170 Å²	170	63.7 Å²	63.7	67%	0.667	30%	0.3	S	S	*	.	H	α-helix	trans	-69.8	-34.9	-179.4	-64.8	-68.6	0	0	0	112.3	Y12 F17 A18	Y12-Y14 VanDerWaalsContact C-N 3.28Å; Y12-Y14 PolarHBondContact O-N 3.49Å; Y12-Y14 VanDerWaalsContact O-N 3.15Å; Y14-F17 PolarHBondContact O-N 3.41Å; Y14-A18 WeakPolarHBondContact O-CB 3.44Å; Y14-A18 PolarHBondContact O-N 3.44Å
15	R	89.2	Confident	89.8	Confident	109 Å²	109	64.8 Å²	64.8	41%	0.411	31%	0.31	S	S	.	.	H	α-helix	trans	-71.3	-38.8	175.9	-66.3	-174.7	-175.5	-138.4	0.2	111.4	Y12 A18 T19 W87	Y12-R15 PolarHBondContact O-N 3.18Å; R15-A18 PolarHBondContact O-N 3.05Å; R15-T19 WeakPolarHBondContact O-CB 3.48Å; R15-T19 PolarHBondContact O-N 3.4Å; R15-T19 PolarHBondContact O-OG1 3.25Å; R15-W87 VanDerWaalsContact CD-CZ3 3.45Å
16	I	88.8	Confident	89.4	Confident	13 Å²	13	66 Å²	66	7%	0.067	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-47	173.7	-64.9	176.4	0	0	0	109.8	V9 Y12 K13 A18 T19 I20 T88 L139 M140	V9-I16 HydrophobicContact CG1-CD1 3.24Å; Y12-I16 PolarHBondContact O-N 2.98Å; K13-I16 PolarHBondContact O-N 3.49Å; I16-A18 PolarHBondContact O-N 3.14Å; I16-T19 WeakPolarHBondContact O-CB 3.45Å; I16-T19 PolarHBondContact O-N 3.38Å; I16-T19 VanDerWaalsContact O-N 3.13Å; I16-I20 HydrophobicContact CG2-CD1 3.96Å; I16-I20 HydrophobicContact CG2-CG1 4.49Å; I16-I20 WeakPolarHBondContact O-CG1 3.38Å; I16-I20 PolarHBondContact O-N 3.47Å; I16-T88 HydrophobicContact CD1-CG2 4.25Å; I16-T88 HydrophobicContact CG1-CG2 3.84Å; I16-L139 HydrophobicContact CD1-CD1 4.39Å; I16-M140 HydrophobicContact CB-CE 4.49Å; I16-M140 HydrophobicContact CG1-CE 3.93Å; I16-M140 HydrophobicContact CG2-CE 4.42Å
17	F	89.7	Confident	88.9	Confident	132 Å²	132	64.5 Å²	64.5	58%	0.579	31%	0.306	S	S	*	.	H	α-helix	trans	-58.8	-46.1	175.7	-175.9	-107.5	0	0	0	112.3	K13 Y14 T19 I20 I21	K13-F17 WeakPolarHBondContact O-CB 3.32Å; K13-F17 PolarHBondContact O-N 3.37Å; Y14-F17 PolarHBondContact O-N 3.41Å; F17-T19 VanDerWaalsContact C-N 3.32Å; F17-T19 PolarHBondContact O-N 3.45Å; F17-I20 PolarHBondContact O-N 3.19Å; F17-I21 HydrophobicContact CD1-CD1 3.68Å; F17-I21 HydrophobicContact CE1-CD1 3.24Å; F17-I21 HydrophobicContact CE1-CG1 4.25Å; F17-I21 HydrophobicContact CE2-CD1 4.42Å; F17-I21 HydrophobicContact CG-CD1 4.45Å; F17-I21 HydrophobicContact CZ-CD1 3.66Å; F17-I21 HydrophobicContact CZ-CG1 4.31Å; F17-I21 WeakPolarHBondContact O-CG1 3.38Å; F17-I21 PolarHBondContact O-N 3.29Å
18	A	89.8	Confident	88.4	Confident	39 Å²	39	59.8 Å²	59.8	32%	0.322	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-41.7	173.8	0	0	0	0	0	112.1	Y14 R15 I16 I20 I21 V22	Y14-A18 WeakPolarHBondContact O-CB 3.44Å; Y14-A18 PolarHBondContact O-N 3.44Å; R15-A18 PolarHBondContact O-N 3.05Å; I16-A18 PolarHBondContact O-N 3.14Å; A18-I20 VanDerWaalsContact C-N 3.33Å; A18-I20 PolarHBondContact O-N 3.41Å; A18-I21 PolarHBondContact O-N 3.27Å; A18-V22 VanDerWaalsContact O-CG2 3.27Å; A18-V22 WeakPolarHBondContact O-CG2 3.27Å; A18-V22 PolarHBondContact O-N 2.79Å
19	T	89.4	Confident	88.1	Confident	2 Å²	2	59.3 Å²	59.3	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-38.9	177.2	-53.7	0	0	0	0	111.6	R15 I16 F17 G23 R81 L84 A85 M140	R15-T19 WeakPolarHBondContact O-CB 3.48Å; R15-T19 PolarHBondContact O-N 3.4Å; R15-T19 PolarHBondContact O-OG1 3.25Å; I16-T19 WeakPolarHBondContact O-CB 3.45Å; I16-T19 PolarHBondContact O-N 3.38Å; I16-T19 VanDerWaalsContact O-N 3.13Å; F17-T19 VanDerWaalsContact C-N 3.32Å; F17-T19 PolarHBondContact O-N 3.45Å; T19-G23 PolarHBondContact O-N 3.38Å; T19-R81 HydrophobicContact CG2-CG 4.05Å; T19-L84 WeakPolarHBondContact OG1-CB 3.26Å; T19-A85 HydrophobicContact CG2-CB 4Å; T19-M140 HydrophobicContact CG2-CE 4.22Å; T19-M140 HydrophobicContact CG2-CG 4.45Å; T19-M140 HydrophobicContact CG2-SD 3.82Å
20	I	88	Confident	87.7	Confident	33 Å²	33	60.6 Å²	60.6	17%	0.169	30%	0.298	C	S	.	.	H	α-helix	trans	-65.3	-45.8	174.8	-67.2	166.7	0	0	0	110.1	I16 F17 A18 G23 I24	I16-I20 HydrophobicContact CG2-CD1 3.96Å; I16-I20 HydrophobicContact CG2-CG1 4.49Å; I16-I20 WeakPolarHBondContact O-CG1 3.38Å; I16-I20 PolarHBondContact O-N 3.47Å; F17-I20 PolarHBondContact O-N 3.19Å; A18-I20 VanDerWaalsContact C-N 3.33Å; A18-I20 PolarHBondContact O-N 3.41Å; I20-G23 CarbonylContact O-C 3.53Å; I20-G23 WeakPolarHBondContact O-CA 3.34Å; I20-G23 PolarHBondContact O-N 2.85Å; I20-G23 VanDerWaalsContact O-N 3.12Å; I20-I24 HydrophobicContact CG2-CD1 4.01Å; I20-I24 HydrophobicContact CG2-CG1 4.39Å; I20-I24 WeakPolarHBondContact O-CG1 3.29Å; I20-I24 PolarHBondContact O-N 3.42Å
21	I	89.3	Confident	87.3	Confident	73 Å²	73	54.1 Å²	54.1	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-59.2	-51.1	177.3	-70.1	169.3	0	0	0	111.3	F17 A18 G23 I24 I25	F17-I21 HydrophobicContact CD1-CD1 3.68Å; F17-I21 HydrophobicContact CE1-CD1 3.24Å; F17-I21 HydrophobicContact CE1-CG1 4.25Å; F17-I21 HydrophobicContact CE2-CD1 4.42Å; F17-I21 HydrophobicContact CG-CD1 4.45Å; F17-I21 HydrophobicContact CZ-CD1 3.66Å; F17-I21 HydrophobicContact CZ-CG1 4.31Å; F17-I21 WeakPolarHBondContact O-CG1 3.38Å; F17-I21 PolarHBondContact O-N 3.29Å; A18-I21 PolarHBondContact O-N 3.27Å; I21-G23 PolarHBondContact O-N 3.02Å; I21-I24 PolarHBondContact O-N 2.91Å; I21-I24 VanDerWaalsContact O-N 3.1Å; I21-I25 HydrophobicContact CG2-CD1 4.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.34Å; I21-I25 PolarHBondContact O-N 2.99Å; I21-I25 VanDerWaalsContact O-N 3.12Å
22	V	89.2	Confident	86.8	Confident	27 Å²	27	53.6 Å²	53.6	16%	0.164	26%	0.262	C	S	.	.	H	α-helix	trans	-59.5	-37.1	176.9	177.8	0	0	0	0	110.2	A18 I25 K26 I77 I80 R81	A18-V22 VanDerWaalsContact O-CG2 3.27Å; A18-V22 WeakPolarHBondContact O-CG2 3.27Å; A18-V22 PolarHBondContact O-N 2.79Å; V22-I25 PolarHBondContact O-N 2.94Å; V22-K26 WeakPolarHBondContact O-CB 3.32Å; V22-K26 PolarHBondContact O-N 3.48Å; V22-I77 HydrophobicContact CG1-CG2 3.65Å; V22-I77 WeakPolarHBondContact CG1-O 3.35Å; V22-I77 WeakPolarHBondContact O-CG2 3.24Å; V22-I80 HydrophobicContact CG1-CB 4.43Å; V22-I80 HydrophobicContact CG1-CG2 4.23Å; V22-I80 HydrophobicContact CG2-CG2 4.31Å; V22-R81 HydrophobicContact CG1-CB 3.85Å
23	G	86.6	Confident	86.4	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.6	-46.1	172.7	0	0	0	0	0	113.4	T19 I20 I21 I25 K26 F27	T19-G23 PolarHBondContact O-N 3.38Å; I20-G23 CarbonylContact O-C 3.53Å; I20-G23 WeakPolarHBondContact O-CA 3.34Å; I20-G23 PolarHBondContact O-N 2.85Å; I20-G23 VanDerWaalsContact O-N 3.12Å; I21-G23 PolarHBondContact O-N 3.02Å; G23-I25 VanDerWaalsContact C-N 3.29Å; G23-I25 PolarHBondContact O-N 3.28Å; G23-K26 WeakPolarHBondContact O-CB 3.45Å; G23-K26 PolarHBondContact O-N 2.85Å; G23-F27 VanDerWaalsContact O-CD2 3.3Å; G23-F27 WeakPolarHBondContact O-CD2 3.36Å; G23-F27 PolarHBondContact O-N 3.23Å
24	I	86.5	Confident	86.1	Confident	63 Å²	63	51 Å²	51	32%	0.323	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-43.3	178.7	-66.8	164.7	0	0	0	109.9	I20 I21 F27 G28 L144 I147	I20-I24 HydrophobicContact CG2-CD1 4.01Å; I20-I24 HydrophobicContact CG2-CG1 4.39Å; I20-I24 WeakPolarHBondContact O-CG1 3.29Å; I20-I24 PolarHBondContact O-N 3.42Å; I21-I24 PolarHBondContact O-N 2.91Å; I21-I24 VanDerWaalsContact O-N 3.1Å; I24-F27 PolarHBondContact O-N 2.87Å; I24-G28 PolarHBondContact O-N 3.1Å; I24-L144 HydrophobicContact CG1-CD2 3.9Å; I24-I147 HydrophobicContact CD1-CD1 3.7Å; I24-I147 HydrophobicContact CG1-CD1 3.81Å; I24-I147 HydrophobicContact CG1-CG2 4.35Å
25	I	85.9	Confident	85.5	Confident	92 Å²	92	46.6 Å²	46.6	47%	0.472	24%	0.242	S	C	.	.	H	α-helix	trans	-61.9	-47	176.3	-58.8	168.7	0	0	0	110.4	I21 V22 G23 F27 G28 I29 I77	I21-I25 HydrophobicContact CG2-CD1 4.31Å; I21-I25 WeakPolarHBondContact O-CG1 3.34Å; I21-I25 PolarHBondContact O-N 2.99Å; I21-I25 VanDerWaalsContact O-N 3.12Å; V22-I25 PolarHBondContact O-N 2.94Å; G23-I25 VanDerWaalsContact C-N 3.29Å; G23-I25 PolarHBondContact O-N 3.28Å; I25-F27 VanDerWaalsContact C-N 3.34Å; I25-F27 PolarHBondContact O-N 2.82Å; I25-G28 PolarHBondContact O-N 3.27Å; I25-I29 PolarHBondContact O-N 2.93Å; I25-I77 HydrophobicContact CG2-CD1 3.75Å
26	K	82.9	Confident	85.3	Confident	27 Å²	27	44 Å²	44	12%	0.117	24%	0.236	C	C	.	.	H	α-helix	trans	-54.6	-48.5	175.9	175.1	-160.1	151.8	160.1	0	111.9	V22 G23 P30 I77 E78 R81	V22-K26 WeakPolarHBondContact O-CB 3.32Å; V22-K26 PolarHBondContact O-N 3.48Å; G23-K26 WeakPolarHBondContact O-CB 3.45Å; G23-K26 PolarHBondContact O-N 2.85Å; K26-P30 WeakPolarHBondContact O-CD 3.39Å; K26-I77 HydrophobicContact CB-CG2 3.83Å; K26-E78 WeakPolarHBondContact CD-OE2 3.36Å; K26-E78 WeakPolarHBondContact CE-OE2 3.2Å; K26-E78 IonicContact NZ-OE1 3.45Å; K26-E78 PolarHBondContact NZ-OE1 3.05Å; K26-E78 IonicContact NZ-OE2 3.83Å; K26-E78 PolarHBondContact NZ-OE2 2.83Å; K26-R81 VanDerWaalsContact NZ-NH2 3.15Å
27	F	80.4	Confident	85	Confident	40 Å²	40	46.9 Å²	46.9	18%	0.175	25%	0.251	C	S	.	.	H	α-helix	trans	-76.9	-23.4	-176.1	-83.7	-86.3	0	0	0	112.9	G23 I24 I25 P30 M31 L144	G23-F27 VanDerWaalsContact O-CD2 3.3Å; G23-F27 WeakPolarHBondContact O-CD2 3.36Å; G23-F27 PolarHBondContact O-N 3.23Å; I24-F27 PolarHBondContact O-N 2.87Å; I25-F27 VanDerWaalsContact C-N 3.34Å; I25-F27 PolarHBondContact O-N 2.82Å; F27-P30 WeakPolarHBondContact O-CD 3.17Å; F27-M31 WeakPolarHBondContact O-CG 3.42Å; F27-L144 HydrophobicContact CD2-CB 3.89Å; F27-L144 HydrophobicContact CD2-CD1 3.89Å; F27-L144 HydrophobicContact CD2-CD2 4.37Å; F27-L144 HydrophobicContact CD2-CG 4.26Å; F27-L144 HydrophobicContact CE2-CB 3.85Å; F27-L144 HydrophobicContact CE2-CD1 3.62Å; F27-L144 HydrophobicContact CE2-CG 4.28Å; F27-L144 HydrophobicContact CZ-CB 4.48Å
28	G	82.3	Confident	84.5	Confident	27 Å²	27	43.8 Å²	43.8	28%	0.278	24%	0.237	S	C	.	.	H	α-helix	trans	-67.4	-32.1	171.7	0	0	0	0	0	113.6	I24 I25 M31	I24-G28 PolarHBondContact O-N 3.1Å; I25-G28 PolarHBondContact O-N 3.27Å; G28-M31 VanDerWaalsContact O-CB 3.29Å; G28-M31 WeakPolarHBondContact O-CB 3.33Å; G28-M31 PolarHBondContact O-N 3.17Å; G28-M31 VanDerWaalsContact O-N 3.1Å
29	I	84.9	Confident	84.2	Confident	12 Å²	12	46.7 Å²	46.7	6%	0.062	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-58.7	-52	-178.3	-70.5	166	0	0	0	112.4	I25 M31 L32 I69 F70 V73 R74 I77	I25-I29 PolarHBondContact O-N 2.93Å; I29-M31 PolarHBondContact O-N 3.49Å; I29-L32 WeakPolarHBondContact O-CB 3.5Å; I29-L32 PolarHBondContact O-N 3.43Å; I29-L32 VanDerWaalsContact O-N 3.12Å; I29-I69 HydrophobicContact CB-CG2 4.34Å; I29-I69 HydrophobicContact CD1-CG2 4.2Å; I29-I69 HydrophobicContact CG1-CG2 3.92Å; I29-I69 HydrophobicContact CG2-CG2 3.59Å; I29-F70 HydrophobicContact CG2-CD1 4.16Å; I29-F70 HydrophobicContact CG2-CD2 4.45Å; I29-F70 HydrophobicContact CG2-CE1 3.77Å; I29-F70 HydrophobicContact CG2-CE2 4.07Å; I29-F70 HydrophobicContact CG2-CG 4.48Å; I29-F70 HydrophobicContact CG2-CZ 3.7Å; I29-V73 HydrophobicContact CD1-CG1 4.49Å; I29-R74 HydrophobicContact CD1-CB 4.06Å; I29-R74 HydrophobicContact CD1-CG 4.35Å; I29-I77 HydrophobicContact CD1-CD1 4.17Å
30	P	82.9	Confident	83.8	Confident	37 Å²	37	47.5 Å²	47.5	24%	0.24	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-57.4	-26.4	174.9	-27.9	35.1	0	0	0	115.1	K26 F27 L32 I33	K26-P30 WeakPolarHBondContact O-CD 3.39Å; F27-P30 WeakPolarHBondContact O-CD 3.17Å; P30-L32 PolarHBondContact O-N 3.41Å; P30-I33 PolarHBondContact O-N 2.8Å; P30-I33 VanDerWaalsContact O-N 3.11Å
31	M	82.1	Confident	83.4	Confident	13 Å²	13	48.3 Å²	48.3	6%	0.064	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-67.2	-15	178.9	-53.6	177.3	171.3	0	0	113.5	F27 G28 I29 I33 T148 I151 L289	F27-M31 WeakPolarHBondContact O-CG 3.42Å; G28-M31 VanDerWaalsContact O-CB 3.29Å; G28-M31 WeakPolarHBondContact O-CB 3.33Å; G28-M31 PolarHBondContact O-N 3.17Å; G28-M31 VanDerWaalsContact O-N 3.1Å; I29-M31 PolarHBondContact O-N 3.49Å; M31-I33 VanDerWaalsContact C-N 3.31Å; M31-T148 HydrophobicContact CE-CG2 3.6Å; M31-I151 HydrophobicContact CE-CB 3.91Å; M31-I151 HydrophobicContact CE-CD1 3.99Å; M31-I151 HydrophobicContact CE-CG2 4.02Å; M31-I151 HydrophobicContact SD-CB 3.99Å; M31-I151 HydrophobicContact SD-CD1 4.14Å; M31-I151 HydrophobicContact SD-CG2 3.4Å; M31-I151 WeakPolarHBondContact SD-CG2 3.4Å; M31-L289 HydrophobicContact CB-CD2 3.98Å; M31-L289 HydrophobicContact CG-CD2 3.64Å
32	L	81.5	Confident	82.9	Confident	81 Å²	81	47.5 Å²	47.5	42%	0.424	25%	0.248	S	C	.	.	H	α-helix	trans	-74.7	-20.4	174.3	-59.8	176.8	0	0	0	112.5	I29 P30 L35 L36 I69	I29-L32 WeakPolarHBondContact O-CB 3.5Å; I29-L32 PolarHBondContact O-N 3.43Å; I29-L32 VanDerWaalsContact O-N 3.12Å; P30-L32 PolarHBondContact O-N 3.41Å; L32-L35 PolarHBondContact O-N 3.19Å; L32-L36 WeakPolarHBondContact O-CB 3.32Å; L32-L36 PolarHBondContact O-N 2.97Å; L32-I69 HydrophobicContact CD1-CD1 4.12Å
33	I	85.7	Confident	82.3	Confident	77 Å²	77	47.1 Å²	47.1	40%	0.395	25%	0.25	S	C	.	.	H	α-helix	trans	-64.4	-51.6	-176.1	-63.6	172	0	0	0	111.9	P30 M31 L35 L36 I37 F70	P30-I33 PolarHBondContact O-N 2.8Å; P30-I33 VanDerWaalsContact O-N 3.11Å; M31-I33 VanDerWaalsContact C-N 3.31Å; I33-L35 VanDerWaalsContact C-N 3.26Å; I33-L35 PolarHBondContact O-N 3.48Å; I33-L36 WeakPolarHBondContact O-CB 3.28Å; I33-L36 PolarHBondContact O-N 3.33Å; I33-L36 VanDerWaalsContact O-N 3.11Å; I33-I37 HydrophobicContact CG2-CD1 3.94Å; I33-I37 HydrophobicContact CG2-CG1 4.43Å; I33-I37 WeakPolarHBondContact O-CG1 3.18Å; I33-I37 PolarHBondContact O-N 2.94Å; I33-F70 HydrophobicContact CD1-CE1 4.11Å; I33-F70 HydrophobicContact CD1-CE2 4.28Å; I33-F70 HydrophobicContact CD1-CZ 3.57Å; I33-F70 HydrophobicContact CG1-CE2 3.97Å; I33-F70 HydrophobicContact CG1-CZ 3.63Å
34	P	82.5	Confident	82	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.032	25%	0.252	C	S	.	.	H	α-helix	trans	-60.6	-34.8	177.7	-24.9	35.6	0	0	0	113.2	I37 K38 Y286	P34-I37 PolarHBondContact O-N 2.81Å; P34-K38 PolarHBondContact O-N 3.05Å; P34-Y286 HydrophobicContact CB-CD2 4.3Å; P34-Y286 HydrophobicContact CB-CE1 4.23Å; P34-Y286 HydrophobicContact CB-CE2 3.93Å; P34-Y286 HydrophobicContact CG-CD1 4.41Å; P34-Y286 HydrophobicContact CG-CE1 4.22Å
35	L	78.8	Confident	81.6	Confident	77 Å²	77	49.6 Å²	49.6	40%	0.403	26%	0.263	S	S	.	.	H	α-helix	trans	-67.5	-40.2	174.4	-67.1	176.4	0	0	0	112	L32 I33 I37 K38 Y39 Y286	L32-L35 PolarHBondContact O-N 3.19Å; I33-L35 VanDerWaalsContact C-N 3.26Å; I33-L35 PolarHBondContact O-N 3.48Å; L35-I37 VanDerWaalsContact C-N 3.33Å; L35-K38 PolarHBondContact O-N 3.14Å; L35-Y39 WeakPolarHBondContact O-CB 3.3Å; L35-Y39 PolarHBondContact O-N 3.21Å; L35-Y286 VanDerWaalsContact CD2-OH 3.31Å; L35-Y286 WeakPolarHBondContact CD2-OH 3.49Å; L35-Y286 VanDerWaalsContact CG-OH 3.24Å; L35-Y286 WeakPolarHBondContact CG-OH 3.21Å
36	L	83.6	Confident	81.2	Confident	54 Å²	54	49.3 Å²	49.3	28%	0.283	26%	0.262	S	S	.	.	H	α-helix	trans	-63.8	-39.9	175.1	-174.6	147.1	0	0	0	111.1	L32 I33 Y39 A40 A66	L32-L36 WeakPolarHBondContact O-CB 3.32Å; L32-L36 PolarHBondContact O-N 2.97Å; I33-L36 WeakPolarHBondContact O-CB 3.28Å; I33-L36 PolarHBondContact O-N 3.33Å; I33-L36 VanDerWaalsContact O-N 3.11Å; L36-Y39 PolarHBondContact O-N 3.33Å; L36-A40 VanDerWaalsContact O-CB 3.31Å; L36-A40 WeakPolarHBondContact O-CB 2.93Å; L36-A40 PolarHBondContact O-N 3.17Å; L36-A66 HydrophobicContact CD1-CB 3.49Å; L36-A66 VanDerWaalsContact CD1-CB 3.49Å
37	I	82.7	Confident	81	Confident	74 Å²	74	50.6 Å²	50.6	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-62.7	-48.9	173.8	-66.7	168	0	0	0	110.4	I33 P34 L35 Y39 A40 I41	I33-I37 HydrophobicContact CG2-CD1 3.94Å; I33-I37 HydrophobicContact CG2-CG1 4.43Å; I33-I37 WeakPolarHBondContact O-CG1 3.18Å; I33-I37 PolarHBondContact O-N 2.94Å; P34-I37 PolarHBondContact O-N 2.81Å; L35-I37 VanDerWaalsContact C-N 3.33Å; I37-Y39 VanDerWaalsContact C-N 3.33Å; I37-Y39 PolarHBondContact O-N 2.85Å; I37-A40 PolarHBondContact O-N 2.94Å; I37-I41 HydrophobicContact CG2-CD1 3.71Å; I37-I41 HydrophobicContact CG2-CG1 4.43Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 3.43Å
38	K	80.2	Confident	80.9	Confident	66 Å²	66	57 Å²	57	29%	0.287	30%	0.3	S	S	.	.	H	α-helix	trans	-58.5	-45.2	176.6	-176.5	-174.5	174.7	-174.6	0	111.5	P34 L35 I41 D42 A282	P34-K38 PolarHBondContact O-N 3.05Å; L35-K38 PolarHBondContact O-N 3.14Å; K38-I41 PolarHBondContact O-N 2.87Å; K38-D42 PolarHBondContact O-N 2.76Å; K38-A282 HydrophobicContact CB-CB 4.47Å
39	Y	82.8	Confident	80.8	Confident	101 Å²	101	59.9 Å²	59.9	40%	0.396	32%	0.322	S	S	.	.	I	π-helix	trans	-62.7	-43	177.5	177.9	-100.9	0	0	0	112	L35 L36 I37 I41 G43 V44 A62	L35-Y39 WeakPolarHBondContact O-CB 3.3Å; L35-Y39 PolarHBondContact O-N 3.21Å; L36-Y39 PolarHBondContact O-N 3.33Å; I37-Y39 VanDerWaalsContact C-N 3.33Å; I37-Y39 PolarHBondContact O-N 2.85Å; Y39-I41 PolarHBondContact O-N 3.24Å; Y39-G43 CarbonylContact O-C 3.42Å; Y39-G43 WeakPolarHBondContact O-CA 3.23Å; Y39-G43 PolarHBondContact O-N 2.87Å; Y39-V44 HydrophobicContact CD1-CG2 4.34Å; Y39-V44 HydrophobicContact CE1-CG2 3.92Å; Y39-V44 PolarHBondContact O-N 3.19Å; Y39-A62 HydrophobicContact CD1-CB 4.23Å; Y39-A62 HydrophobicContact CE1-CB 4.05Å
40	A	81.1	Confident	80.5	Confident	19 Å²	19	61.3 Å²	61.3	16%	0.157	33%	0.329	C	S	.	.	I	π-helix	trans	-62.8	-41.1	176	0	0	0	0	0	111.8	L36 I37 V44 I45 L59	L36-A40 VanDerWaalsContact O-CB 3.31Å; L36-A40 WeakPolarHBondContact O-CB 2.93Å; L36-A40 PolarHBondContact O-N 3.17Å; I37-A40 PolarHBondContact O-N 2.94Å; A40-V44 WeakPolarHBondContact O-CB 3.42Å; A40-I45 VanDerWaalsContact O-CG1 3.27Å; A40-I45 WeakPolarHBondContact O-CG1 2.95Å; A40-I45 PolarHBondContact O-N 2.81Å; A40-L59 HydrophobicContact CB-CD1 4.24Å
41	I	79.3	Confident	80.5	Confident	49 Å²	49	63.3 Å²	63.3	25%	0.251	34%	0.341	S	S	.	.	I	π-helix	trans	-73.8	-59.8	-179.6	-64.9	171.2	0	0	0	111.4	I37 K38 Y39 I45 N46 A281	I37-I41 HydrophobicContact CG2-CD1 3.71Å; I37-I41 HydrophobicContact CG2-CG1 4.43Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 3.43Å; K38-I41 PolarHBondContact O-N 2.87Å; Y39-I41 PolarHBondContact O-N 3.24Å; I41-I45 WeakPolarHBondContact O-CB 3.43Å; I41-I45 PolarHBondContact O-N 2.86Å; I41-N46 WeakPolarHBondContact O-CB 3.42Å; I41-N46 PolarHBondContact O-N 2.81Å; I41-A281 HydrophobicContact CD1-CB 4.42Å
42	D	78.8	Confident	80.5	Confident	56 Å²	56	67.9 Å²	67.9	30%	0.299	37%	0.37	S	S	.	.	I	π-helix	trans	-83.1	-38.5	-171.1	-67.4	-22.5	0	0	0	112.3	K38	K38-D42 PolarHBondContact O-N 2.76Å
43	G	76.2	Confident	80.6	Confident	20 Å²	20	70.4 Å²	70.4	21%	0.206	38%	0.383	C	S	.	.	I	π-helix	trans	-82.7	-29.4	-175.3	0	0	0	0	0	114.2	Y39 N47 L50	Y39-G43 CarbonylContact O-C 3.42Å; Y39-G43 WeakPolarHBondContact O-CA 3.23Å; Y39-G43 PolarHBondContact O-N 2.87Å; G43-N47 WeakPolarHBondContact O-CB 3.35Å; G43-N47 PolarHBondContact O-ND2 2.97Å; G43-L50 WeakPolarHBondContact O-CD1 3.32Å
44	V	80.1	Confident	80.6	Confident	6 Å²	6	70.8 Å²	70.8	4%	0.036	38%	0.384	C	S	.	.	I	π-helix	trans	-113.3	-62.2	-175.9	-177.7	0	0	0	0	111.6	Y39 A40 K55 H58 L59	Y39-V44 HydrophobicContact CD1-CG2 4.34Å; Y39-V44 HydrophobicContact CE1-CG2 3.92Å; Y39-V44 PolarHBondContact O-N 3.19Å; A40-V44 WeakPolarHBondContact O-CB 3.42Å; V44-K55 HydrophobicContact CG1-CB 3.64Å; V44-K55 HydrophobicContact CG1-CG 3.99Å; V44-K55 WeakPolarHBondContact CG1-O 3.38Å; V44-K55 WeakPolarHBondContact O-CD 3.49Å; V44-K55 WeakPolarHBondContact O-CE 3.29Å; V44-K55 WeakPolarHBondContact O-CG 3.42Å; V44-K55 PolarHBondContact O-NZ 3.39Å; V44-H58 HydrophobicContact CG2-CB 4.29Å; V44-L59 HydrophobicContact CG1-CB 4.36Å
45	I	78.8	Confident	80.7	Confident	109 Å²	109	72.7 Å²	72.7	56%	0.559	39%	0.391	S	S	*	.	I	π-helix	trans	-65.4	-57.1	-172.9	-66.3	166.5	0	0	0	110.9	A40 I41 N47 K55	A40-I45 VanDerWaalsContact O-CG1 3.27Å; A40-I45 WeakPolarHBondContact O-CG1 2.95Å; A40-I45 PolarHBondContact O-N 2.81Å; I41-I45 WeakPolarHBondContact O-CB 3.43Å; I41-I45 PolarHBondContact O-N 2.86Å; I45-N47 VanDerWaalsContact C-N 3.3Å; I45-N47 PolarHBondContact O-N 2.93Å; I45-K55 PolarHBondContact O-NZ 3.29Å
46	N	78.3	Confident	81	Confident	85 Å²	85	73 Å²	73	46%	0.455	40%	0.396	S	S	.	.	S	Bend	trans	-82	-3.5	-175	-66.9	-20.5	0	0	0	114	I41 H48	I41-N46 WeakPolarHBondContact O-CB 3.42Å; I41-N46 PolarHBondContact O-N 2.81Å; N46-H48 PolarHBondContact O-CD2 3.45Å; N46-H48 PolarHBondContact O-N 2.83Å; N46-H48 VanDerWaalsContact O-N 3.15Å
47	N	78.4	Confident	81.2	Confident	54 Å²	54	75.8 Å²	75.8	29%	0.289	41%	0.408	S	S	.	.			trans	-80.3	99.2	178.1	-169.1	-13.2	0	0	0	110.2	G43 I45 A49 L50 K55	G43-N47 WeakPolarHBondContact O-CB 3.35Å; G43-N47 PolarHBondContact O-ND2 2.97Å; I45-N47 VanDerWaalsContact C-N 3.3Å; I45-N47 PolarHBondContact O-N 2.93Å; N47-A49 PolarHBondContact O-N 3.18Å; N47-A49 WeakPolarHBondContact OD1-CB 3.45Å; N47-A49 PolarHBondContact OD1-N 3.27Å; N47-A49 VanDerWaalsContact OD1-N 3.14Å; N47-L50 HydrophobicContact CB-CD1 4.13Å; N47-L50 HydrophobicContact CB-CG 4.45Å; N47-L50 WeakPolarHBondContact ND2-CD1 3.4Å; N47-K55 WeakPolarHBondContact O-CE 3.33Å; N47-K55 PolarHBondContact O-NZ 3.42Å
48	H	77.7	Confident	81.4	Confident	175 Å²	175	75.6 Å²	75.6	81%	0.81	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-9.1	-179.4	-62.8	-70	0	0	0	114	N46	N46-H48 PolarHBondContact O-CD2 3.45Å; N46-H48 PolarHBondContact O-N 2.83Å; N46-H48 VanDerWaalsContact O-N 3.15Å
49	A	79.9	Confident	81.7	Confident	88 Å²	88	75.3 Å²	75.3	73%	0.727	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-18.1	178.6	0	0	0	0	0	113.5	N47	N47-A49 PolarHBondContact O-N 3.18Å; N47-A49 WeakPolarHBondContact OD1-CB 3.45Å; N47-A49 PolarHBondContact OD1-N 3.27Å; N47-A49 VanDerWaalsContact OD1-N 3.14Å
50	L	78.6	Confident	82	Confident	41 Å²	41	74.6 Å²	74.6	22%	0.215	41%	0.413	C	S	.	.	S	Bend	trans	-92.4	138.4	-178.3	-64.6	172.8	0	0	0	111.3	G43 N47 E54 K55	G43-L50 WeakPolarHBondContact O-CD1 3.32Å; N47-L50 HydrophobicContact CB-CD1 4.13Å; N47-L50 HydrophobicContact CB-CG 4.45Å; N47-L50 WeakPolarHBondContact ND2-CD1 3.4Å; L50-E54 HydrophobicContact CB-CB 4.32Å; L50-E54 HydrophobicContact CD2-CB 4.17Å; L50-K55 HydrophobicContact CB-CG 3.77Å; L50-K55 HydrophobicContact CD1-CG 4.35Å; L50-K55 WeakPolarHBondContact O-CE 3.29Å
51	T	83.2	Confident	82.4	Confident	79 Å²	79	77.4 Å²	77.4	49%	0.485	42%	0.424	S	S	.	.			trans	-66.6	158.9	168.2	61.7	0	0	0	0	111.1	D53 E54 K55	T51-D53 PolarHBondContact O-N 2.9Å; T51-E54 PolarHBondContact N-OE2 3.26Å; T51-E54 PolarHBondContact O-N 2.91Å; T51-E54 WeakPolarHBondContact OG1-CB 3.39Å; T51-E54 WeakPolarHBondContact OG1-CG 3.38Å; T51-E54 PolarHBondContact OG1-N 3.42Å; T51-E54 PolarHBondContact OG1-OE2 3.14Å; T51-K55 WeakPolarHBondContact O-CG 3.42Å; T51-K55 PolarHBondContact O-N 2.7Å
52	T	82.5	Confident	82.8	Confident	110 Å²	110	76 Å²	76	68%	0.675	42%	0.42	S	S	*	.	H	α-helix	trans	-55.9	-39.9	177.9	-48.8	0	0	0	0	111.8	K55 V56	T52-K55 WeakPolarHBondContact O-CB 3.21Å; T52-K55 PolarHBondContact O-N 3.35Å; T52-V56 WeakPolarHBondContact O-CG2 3.38Å; T52-V56 PolarHBondContact O-N 3.18Å
53	D	83.1	Confident	83.2	Confident	133 Å²	133	76.9 Å²	76.9	71%	0.711	42%	0.424	S	S	*	.	H	α-helix	trans	-68.6	-41.5	-179.9	-65.5	-23.9	0	0	0	111.8	T51 K55 V56 H57	T51-D53 PolarHBondContact O-N 2.9Å; D53-K55 VanDerWaalsContact C-N 3.33Å; D53-K55 PolarHBondContact O-N 3.48Å; D53-V56 PolarHBondContact O-N 2.97Å; D53-H57 WeakPolarHBondContact O-CB 3.44Å; D53-H57 PolarHBondContact O-N 2.88Å
54	E	85.4	Confident	84	Confident	86 Å²	86	77.8 Å²	77.8	40%	0.402	43%	0.433	S	S	.	.	H	α-helix	trans	-63.4	-39.8	173.8	-72.6	165.4	152.2	0	0	111.6	L50 T51 H57 H58	L50-E54 HydrophobicContact CB-CB 4.32Å; L50-E54 HydrophobicContact CD2-CB 4.17Å; T51-E54 PolarHBondContact N-OE2 3.26Å; T51-E54 PolarHBondContact O-N 2.91Å; T51-E54 WeakPolarHBondContact OG1-CB 3.39Å; T51-E54 WeakPolarHBondContact OG1-CG 3.38Å; T51-E54 PolarHBondContact OG1-N 3.42Å; T51-E54 PolarHBondContact OG1-OE2 3.14Å; E54-H57 PolarHBondContact O-N 2.75Å; E54-H58 WeakPolarHBondContact O-CB 3.44Å; E54-H58 PolarHBondContact O-CD2 3.3Å; E54-H58 PolarHBondContact O-N 2.97Å
55	K	84.7	Confident	84.5	Confident	45 Å²	45	82.1 Å²	82.1	20%	0.196	46%	0.455	C	S	.	.	H	α-helix	trans	-59.7	-48.8	175	-73	-178.2	-177.7	-160.9	0	111.5	V44 I45 N47 L50 T51 T52 D53 H57 L59	V44-K55 HydrophobicContact CG1-CB 3.64Å; V44-K55 HydrophobicContact CG1-CG 3.99Å; V44-K55 WeakPolarHBondContact CG1-O 3.38Å; V44-K55 WeakPolarHBondContact O-CD 3.49Å; V44-K55 WeakPolarHBondContact O-CE 3.29Å; V44-K55 WeakPolarHBondContact O-CG 3.42Å; V44-K55 PolarHBondContact O-NZ 3.39Å; I45-K55 PolarHBondContact O-NZ 3.29Å; N47-K55 WeakPolarHBondContact O-CE 3.33Å; N47-K55 PolarHBondContact O-NZ 3.42Å; L50-K55 HydrophobicContact CB-CG 3.77Å; L50-K55 HydrophobicContact CD1-CG 4.35Å; L50-K55 WeakPolarHBondContact O-CE 3.29Å; T51-K55 WeakPolarHBondContact O-CG 3.42Å; T51-K55 PolarHBondContact O-N 2.7Å; T52-K55 WeakPolarHBondContact O-CB 3.21Å; T52-K55 PolarHBondContact O-N 3.35Å; D53-K55 VanDerWaalsContact C-N 3.33Å; D53-K55 PolarHBondContact O-N 3.48Å; K55-H57 VanDerWaalsContact C-N 3.32Å; K55-H57 PolarHBondContact O-N 3.17Å; K55-L59 VanDerWaalsContact O-CB 3.3Å; K55-L59 WeakPolarHBondContact O-CB 3.42Å; K55-L59 PolarHBondContact O-N 3.1Å
56	V	85.8	Confident	84.9	Confident	82 Å²	82	78 Å²	78	50%	0.497	44%	0.436	S	S	.	.	H	α-helix	trans	-62.8	-41.1	177.8	172.4	0	0	0	0	110.6	T52 D53 L59 T60	T52-V56 WeakPolarHBondContact O-CG2 3.38Å; T52-V56 PolarHBondContact O-N 3.18Å; D53-V56 PolarHBondContact O-N 2.97Å; V56-L59 PolarHBondContact O-N 3.21Å; V56-T60 VanDerWaalsContact O-CB 3.31Å; V56-T60 WeakPolarHBondContact O-CB 3.48Å; V56-T60 PolarHBondContact O-N 2.91Å; V56-T60 PolarHBondContact O-OG1 2.81Å
57	H	87.9	Confident	85.5	Confident	114 Å²	114	78.8 Å²	78.8	53%	0.528	44%	0.44	S	S	.	.	H	α-helix	trans	-63.1	-51.5	178.6	-175.7	68.8	0	0	0	112.3	D53 E54 K55 L59 T60 I61	D53-H57 WeakPolarHBondContact O-CB 3.44Å; D53-H57 PolarHBondContact O-N 2.88Å; E54-H57 PolarHBondContact O-N 2.75Å; K55-H57 VanDerWaalsContact C-N 3.32Å; K55-H57 PolarHBondContact O-N 3.17Å; H57-L59 VanDerWaalsContact C-N 3.32Å; H57-L59 PolarHBondContact O-N 3.25Å; H57-T60 PolarHBondContact O-N 2.79Å; H57-I61 VanDerWaalsContact NE2-CD1 3.29Å; H57-I61 WeakPolarHBondContact NE2-CD1 3.48Å; H57-I61 WeakPolarHBondContact O-CG1 3.28Å; H57-I61 PolarHBondContact O-N 3.39Å
58	H	86.5	Confident	86.2	Confident	69 Å²	69	82 Å²	82	32%	0.319	45%	0.452	S	S	.	.	H	α-helix	trans	-59.5	-41.7	177	-80.4	-63.7	0	0	0	112.4	V44 E54 A62	V44-H58 HydrophobicContact CG2-CB 4.29Å; E54-H58 WeakPolarHBondContact O-CB 3.44Å; E54-H58 PolarHBondContact O-CD2 3.3Å; E54-H58 PolarHBondContact O-N 2.97Å; H58-A62 WeakPolarHBondContact O-CB 3.26Å; H58-A62 PolarHBondContact O-N 2.84Å
59	L	87	Confident	86.8	Confident	60 Å²	60	75.5 Å²	75.5	31%	0.314	42%	0.423	S	S	.	.	H	α-helix	trans	-64.8	-44	176.4	-175.5	63.9	0	0	0	111.8	A40 V44 K55 V56 H57 I61 A62 I63	A40-L59 HydrophobicContact CB-CD1 4.24Å; V44-L59 HydrophobicContact CG1-CB 4.36Å; K55-L59 VanDerWaalsContact O-CB 3.3Å; K55-L59 WeakPolarHBondContact O-CB 3.42Å; K55-L59 PolarHBondContact O-N 3.1Å; V56-L59 PolarHBondContact O-N 3.21Å; H57-L59 VanDerWaalsContact C-N 3.32Å; H57-L59 PolarHBondContact O-N 3.25Å; L59-I61 VanDerWaalsContact C-N 3.34Å; L59-I61 PolarHBondContact O-N 3.25Å; L59-A62 PolarHBondContact O-N 2.85Å; L59-I63 HydrophobicContact CD1-CD1 3.9Å; L59-I63 HydrophobicContact CD1-CG1 4.2Å; L59-I63 HydrophobicContact CD2-CD1 4.38Å; L59-I63 HydrophobicContact CG-CD1 3.77Å; L59-I63 HydrophobicContact CG-CG1 4.38Å; L59-I63 WeakPolarHBondContact O-CB 3.2Å; L59-I63 WeakPolarHBondContact O-CG1 3.34Å; L59-I63 PolarHBondContact O-N 3.04Å
60	T	88.8	Confident	87.3	Confident	87 Å²	87	73.8 Å²	73.8	53%	0.534	40%	0.399	S	S	.	.	H	α-helix	trans	-62.3	-41.9	179.9	-57.9	0	0	0	0	111.1	V56 H57 G64	V56-T60 VanDerWaalsContact O-CB 3.31Å; V56-T60 WeakPolarHBondContact O-CB 3.48Å; V56-T60 PolarHBondContact O-N 2.91Å; V56-T60 PolarHBondContact O-OG1 2.81Å; H57-T60 PolarHBondContact O-N 2.79Å; T60-G64 PolarHBondContact O-N 3.24Å
61	I	89.9	Confident	87.9	Confident	78 Å²	78	76.3 Å²	76.3	40%	0.4	42%	0.416	S	S	.	.	H	α-helix	trans	-62.9	-48.7	174.7	-69.4	172.7	0	0	0	110.8	H57 L59 I63 G64 I65	H57-I61 VanDerWaalsContact NE2-CD1 3.29Å; H57-I61 WeakPolarHBondContact NE2-CD1 3.48Å; H57-I61 WeakPolarHBondContact O-CG1 3.28Å; H57-I61 PolarHBondContact O-N 3.39Å; L59-I61 VanDerWaalsContact C-N 3.34Å; L59-I61 PolarHBondContact O-N 3.25Å; I61-I63 PolarHBondContact O-N 3.47Å; I61-G64 PolarHBondContact O-N 3.04Å; I61-I65 HydrophobicContact CG2-CD1 3.77Å; I61-I65 HydrophobicContact CG2-CG1 4.43Å; I61-I65 WeakPolarHBondContact O-CG1 3.3Å; I61-I65 PolarHBondContact O-N 3.45Å
62	A	87.2	Confident	88.3	Confident	19 Å²	19	77.1 Å²	77.1	16%	0.157	42%	0.416	C	S	.	.	H	α-helix	trans	-61	-43.8	-179.3	0	0	0	0	0	112.2	Y39 H58 L59 A66	Y39-A62 HydrophobicContact CD1-CB 4.23Å; Y39-A62 HydrophobicContact CE1-CB 4.05Å; H58-A62 WeakPolarHBondContact O-CB 3.26Å; H58-A62 PolarHBondContact O-N 2.84Å; L59-A62 PolarHBondContact O-N 2.85Å; A62-A66 WeakPolarHBondContact O-CB 3.44Å; A62-A66 PolarHBondContact O-N 3.16Å
63	I	88.3	Confident	88.8	Confident	75 Å²	75	74.4 Å²	74.4	39%	0.385	40%	0.399	S	S	.	.	H	α-helix	trans	-66.5	-42.3	175.7	-67.8	175	0	0	0	110.8	L59 I61 I65 A66 L67	L59-I63 HydrophobicContact CD1-CD1 3.9Å; L59-I63 HydrophobicContact CD1-CG1 4.2Å; L59-I63 HydrophobicContact CD2-CD1 4.38Å; L59-I63 HydrophobicContact CG-CD1 3.77Å; L59-I63 HydrophobicContact CG-CG1 4.38Å; L59-I63 WeakPolarHBondContact O-CB 3.2Å; L59-I63 WeakPolarHBondContact O-CG1 3.34Å; L59-I63 PolarHBondContact O-N 3.04Å; I61-I63 PolarHBondContact O-N 3.47Å; I63-I65 PolarHBondContact O-N 3.15Å; I63-A66 PolarHBondContact O-N 2.88Å; I63-L67 HydrophobicContact CG2-CD1 3.89Å; I63-L67 HydrophobicContact CG2-CG 4.16Å; I63-L67 WeakPolarHBondContact O-CB 3.42Å; I63-L67 WeakPolarHBondContact O-CG 3.4Å; I63-L67 PolarHBondContact O-N 2.78Å
64	G	91.2	Very high	89.1	Confident	38 Å²	38	72.7 Å²	72.7	39%	0.392	38%	0.383	S	S	.	.	H	α-helix	trans	-59.5	-44.7	177.2	0	0	0	0	0	112.5	T60 I61 L67 F68	T60-G64 PolarHBondContact O-N 3.24Å; I61-G64 PolarHBondContact O-N 3.04Å; G64-L67 PolarHBondContact O-N 2.95Å; G64-F68 WeakPolarHBondContact O-CB 3.49Å; G64-F68 PolarHBondContact O-N 3.09Å
65	I	90.6	Very high	89.4	Confident	98 Å²	98	71.9 Å²	71.9	50%	0.503	39%	0.385	S	S	.	.	H	α-helix	trans	-62.6	-45.5	174.2	-67.6	168.4	0	0	0	110.6	I61 I63 F68 I69	I61-I65 HydrophobicContact CG2-CD1 3.77Å; I61-I65 HydrophobicContact CG2-CG1 4.43Å; I61-I65 WeakPolarHBondContact O-CG1 3.3Å; I61-I65 PolarHBondContact O-N 3.45Å; I63-I65 PolarHBondContact O-N 3.15Å; I65-F68 PolarHBondContact O-N 3.49Å; I65-I69 HydrophobicContact CG2-CD1 3.84Å; I65-I69 VanDerWaalsContact O-CG1 3.32Å; I65-I69 WeakPolarHBondContact O-CG1 3.38Å; I65-I69 PolarHBondContact O-N 3.48Å
66	A	88.8	Confident	89.9	Confident	21 Å²	21	73 Å²	73	17%	0.174	40%	0.397	C	S	.	.	H	α-helix	trans	-62.4	-47.3	178.6	0	0	0	0	0	111.9	L36 A62 I63 F68 I69 F70	L36-A66 HydrophobicContact CD1-CB 3.49Å; L36-A66 VanDerWaalsContact CD1-CB 3.49Å; A62-A66 WeakPolarHBondContact O-CB 3.44Å; A62-A66 PolarHBondContact O-N 3.16Å; I63-A66 PolarHBondContact O-N 2.88Å; A66-F68 VanDerWaalsContact C-N 3.33Å; A66-F68 PolarHBondContact O-N 2.91Å; A66-I69 PolarHBondContact O-N 2.78Å; A66-F70 WeakPolarHBondContact O-CB 3.22Å; A66-F70 VanDerWaalsContact O-CD2 3.28Å; A66-F70 WeakPolarHBondContact O-CD2 3.37Å; A66-F70 PolarHBondContact O-N 2.8Å
67	L	90.3	Very high	90.2	Very high	103 Å²	103	70.4 Å²	70.4	54%	0.539	38%	0.38	S	S	.	.	H	α-helix	trans	-58.9	-44.2	176.3	-74.9	175.5	0	0	0	111.3	I63 G64 I69 F70 V71	I63-L67 HydrophobicContact CG2-CD1 3.89Å; I63-L67 HydrophobicContact CG2-CG 4.16Å; I63-L67 WeakPolarHBondContact O-CB 3.42Å; I63-L67 WeakPolarHBondContact O-CG 3.4Å; I63-L67 PolarHBondContact O-N 2.78Å; G64-L67 PolarHBondContact O-N 2.95Å; L67-I69 PolarHBondContact O-N 2.7Å; L67-F70 PolarHBondContact O-N 3.03Å; L67-V71 WeakPolarHBondContact O-CB 3.44Å; L67-V71 VanDerWaalsContact O-CG2 3.29Å; L67-V71 WeakPolarHBondContact O-CG2 3.45Å; L67-V71 PolarHBondContact O-N 2.94Å
68	F	92.6	Very high	90.3	Very high	122 Å²	122	67.2 Å²	67.2	54%	0.535	37%	0.366	S	S	.	.	H	α-helix	trans	-58	-47.1	175	-179.8	-97.1	0	0	0	111.8	G64 I65 A66 I72 V73	G64-F68 WeakPolarHBondContact O-CB 3.49Å; G64-F68 PolarHBondContact O-N 3.09Å; I65-F68 PolarHBondContact O-N 3.49Å; A66-F68 VanDerWaalsContact C-N 3.33Å; A66-F68 PolarHBondContact O-N 2.91Å; F68-I72 HydrophobicContact CD2-CB 4.06Å; F68-I72 HydrophobicContact CD2-CG1 3.78Å; F68-I72 HydrophobicContact CE2-CB 3.99Å; F68-I72 HydrophobicContact CE2-CG1 4.01Å; F68-I72 HydrophobicContact CE2-CG2 3.94Å; F68-I72 HydrophobicContact CZ-CB 4.42Å; F68-I72 HydrophobicContact CZ-CG2 4.2Å; F68-I72 WeakPolarHBondContact O-CA 3.32Å; F68-I72 VanDerWaalsContact O-CB 3.23Å; F68-I72 WeakPolarHBondContact O-CB 3.21Å; F68-I72 PolarHBondContact O-N 2.9Å; F68-V73 HydrophobicContact CD1-CG2 4.07Å; F68-V73 HydrophobicContact CE1-CG2 3.7Å; F68-V73 HydrophobicContact CZ-CG2 4.4Å; F68-V73 PolarHBondContact O-N 2.94Å
69	I	90.6	Very high	90.6	Very high	37 Å²	37	70.7 Å²	70.7	19%	0.19	38%	0.38	C	S	.	.	I	π-helix	trans	-63.7	-46.2	178.9	-67	168.9	0	0	0	111.3	I29 L32 I65 A66 L67 V73 R74	I29-I69 HydrophobicContact CB-CG2 4.34Å; I29-I69 HydrophobicContact CD1-CG2 4.2Å; I29-I69 HydrophobicContact CG1-CG2 3.92Å; I29-I69 HydrophobicContact CG2-CG2 3.59Å; L32-I69 HydrophobicContact CD1-CD1 4.12Å; I65-I69 HydrophobicContact CG2-CD1 3.84Å; I65-I69 VanDerWaalsContact O-CG1 3.32Å; I65-I69 WeakPolarHBondContact O-CG1 3.38Å; I65-I69 PolarHBondContact O-N 3.48Å; A66-I69 PolarHBondContact O-N 2.78Å; L67-I69 PolarHBondContact O-N 2.7Å; I69-V73 WeakPolarHBondContact O-CB 3.49Å; I69-V73 PolarHBondContact O-N 2.86Å; I69-R74 WeakPolarHBondContact O-CB 3.15Å; I69-R74 PolarHBondContact O-N 2.58Å
70	F	89.5	Confident	91	Very high	52 Å²	52	71.6 Å²	71.6	23%	0.228	38%	0.384	C	S	.	.	I	π-helix	trans	-75.9	-31.6	-175.1	-84.3	-82.7	0	0	0	113.9	I29 I33 A66 L67	I29-F70 HydrophobicContact CG2-CD1 4.16Å; I29-F70 HydrophobicContact CG2-CD2 4.45Å; I29-F70 HydrophobicContact CG2-CE1 3.77Å; I29-F70 HydrophobicContact CG2-CE2 4.07Å; I29-F70 HydrophobicContact CG2-CG 4.48Å; I29-F70 HydrophobicContact CG2-CZ 3.7Å; I33-F70 HydrophobicContact CD1-CE1 4.11Å; I33-F70 HydrophobicContact CD1-CE2 4.28Å; I33-F70 HydrophobicContact CD1-CZ 3.57Å; I33-F70 HydrophobicContact CG1-CE2 3.97Å; I33-F70 HydrophobicContact CG1-CZ 3.63Å; A66-F70 WeakPolarHBondContact O-CB 3.22Å; A66-F70 VanDerWaalsContact O-CD2 3.28Å; A66-F70 WeakPolarHBondContact O-CD2 3.37Å; A66-F70 PolarHBondContact O-N 2.8Å; L67-F70 PolarHBondContact O-N 3.03Å
71	V	91.4	Very high	91	Very high	95 Å²	95	68.3 Å²	68.3	58%	0.576	36%	0.362	S	S	*	.	I	π-helix	trans	-95.9	-38.6	-175.9	179.3	0	0	0	0	111.9	L67 P75	L67-V71 WeakPolarHBondContact O-CB 3.44Å; L67-V71 VanDerWaalsContact O-CG2 3.29Å; L67-V71 WeakPolarHBondContact O-CG2 3.45Å; L67-V71 PolarHBondContact O-N 2.94Å; V71-P75 WeakPolarHBondContact O-CD 3.36Å; V71-P75 WeakPolarHBondContact O-CG 3.32Å
72	I	93.1	Very high	91.1	Very high	95 Å²	95	69.2 Å²	69.2	49%	0.487	37%	0.365	S	S	.	.	I	π-helix	trans	-99.2	-46	-175.2	-51.5	-58.6	0	0	0	111.8	F68 P76	F68-I72 HydrophobicContact CD2-CB 4.06Å; F68-I72 HydrophobicContact CD2-CG1 3.78Å; F68-I72 HydrophobicContact CE2-CB 3.99Å; F68-I72 HydrophobicContact CE2-CG1 4.01Å; F68-I72 HydrophobicContact CE2-CG2 3.94Å; F68-I72 HydrophobicContact CZ-CB 4.42Å; F68-I72 HydrophobicContact CZ-CG2 4.2Å; F68-I72 WeakPolarHBondContact O-CA 3.32Å; F68-I72 VanDerWaalsContact O-CB 3.23Å; F68-I72 WeakPolarHBondContact O-CB 3.21Å; F68-I72 PolarHBondContact O-N 2.9Å; I72-P76 WeakPolarHBondContact O-CD 3.26Å; I72-P76 WeakPolarHBondContact O-CG 3.38Å
73	V	91.4	Very high	91.5	Very high	53 Å²	53	74.7 Å²	74.7	32%	0.321	38%	0.382	S	S	.	.	I	π-helix	trans	-85	-42.6	-171.2	-179.3	0	0	0	0	112.4	I29 F68 I69 P76 I77	I29-V73 HydrophobicContact CD1-CG1 4.49Å; F68-V73 HydrophobicContact CD1-CG2 4.07Å; F68-V73 HydrophobicContact CE1-CG2 3.7Å; F68-V73 HydrophobicContact CZ-CG2 4.4Å; F68-V73 PolarHBondContact O-N 2.94Å; I69-V73 WeakPolarHBondContact O-CB 3.49Å; I69-V73 PolarHBondContact O-N 2.86Å; V73-P76 WeakPolarHBondContact O-CD 3.38Å; V73-I77 HydrophobicContact CG1-CD1 3.63Å; V73-I77 WeakPolarHBondContact O-CD1 3.4Å; V73-I77 VanDerWaalsContact O-CG1 3.29Å; V73-I77 WeakPolarHBondContact O-CG1 3.4Å
74	R	89.4	Confident	91.7	Very high	97 Å²	97	72.9 Å²	72.9	37%	0.366	37%	0.373	S	S	.	.	H	α-helix	trans	-65.2	-46.3	-174.2	-175	-173.7	176	-150	1.1	114.1	I29 I69 I77 E78	I29-R74 HydrophobicContact CD1-CB 4.06Å; I29-R74 HydrophobicContact CD1-CG 4.35Å; I69-R74 WeakPolarHBondContact O-CB 3.15Å; I69-R74 PolarHBondContact O-N 2.58Å; R74-I77 PolarHBondContact O-N 2.74Å; R74-E78 PolarHBondContact O-N 3.12Å
75	P	93.1	Very high	91.7	Very high	69 Å²	69	71.2 Å²	71.2	45%	0.448	36%	0.356	S	S	.	.	H	α-helix	trans	-63.7	-43.3	-174.3	-21.3	33.5	0	0	0	114.8	V71 I77 E78 F79	V71-P75 WeakPolarHBondContact O-CD 3.36Å; V71-P75 WeakPolarHBondContact O-CG 3.32Å; P75-I77 VanDerWaalsContact C-N 3.33Å; P75-I77 PolarHBondContact O-N 3.12Å; P75-E78 WeakPolarHBondContact O-CB 3.4Å; P75-E78 PolarHBondContact O-N 2.83Å; P75-F79 PolarHBondContact O-N 2.73Å
76	P	94.3	Very high	91.9	Very high	69 Å²	69	69.9 Å²	69.9	45%	0.448	35%	0.347	S	S	.	.	H	α-helix	trans	-60	-40.3	174.2	-25.6	34.9	0	0	0	113.2	I72 V73 F79 I80	I72-P76 WeakPolarHBondContact O-CD 3.26Å; I72-P76 WeakPolarHBondContact O-CG 3.38Å; V73-P76 WeakPolarHBondContact O-CD 3.38Å; P76-F79 PolarHBondContact O-N 2.94Å; P76-I80 WeakPolarHBondContact O-CB 3.46Å; P76-I80 VanDerWaalsContact O-CG1 3.25Å; P76-I80 WeakPolarHBondContact O-CG1 3.28Å; P76-I80 PolarHBondContact O-N 2.95Å
77	I	91.7	Very high	92.2	Very high	27 Å²	27	72 Å²	72	14%	0.138	35%	0.351	C	S	.	.	H	α-helix	trans	-64.5	-43.6	177.6	-64.4	174.4	0	0	0	110.3	V22 I25 K26 I29 V73 R74 P75 I80 R81	V22-I77 HydrophobicContact CG1-CG2 3.65Å; V22-I77 WeakPolarHBondContact CG1-O 3.35Å; V22-I77 WeakPolarHBondContact O-CG2 3.24Å; I25-I77 HydrophobicContact CG2-CD1 3.75Å; K26-I77 HydrophobicContact CB-CG2 3.83Å; I29-I77 HydrophobicContact CD1-CD1 4.17Å; V73-I77 HydrophobicContact CG1-CD1 3.63Å; V73-I77 WeakPolarHBondContact O-CD1 3.4Å; V73-I77 VanDerWaalsContact O-CG1 3.29Å; V73-I77 WeakPolarHBondContact O-CG1 3.4Å; R74-I77 PolarHBondContact O-N 2.74Å; P75-I77 VanDerWaalsContact C-N 3.33Å; P75-I77 PolarHBondContact O-N 3.12Å; I77-I80 PolarHBondContact O-N 3.35Å; I77-R81 WeakPolarHBondContact O-CB 3.37Å; I77-R81 PolarHBondContact O-N 2.84Å
78	E	90.4	Very high	92.4	Very high	48 Å²	48	67 Å²	67	22%	0.224	33%	0.325	C	S	.	.	H	α-helix	trans	-58.7	-48.1	174.6	-174.9	66.8	-123.5	0	0	111.4	K26 R74 P75 R81 Q82	K26-E78 WeakPolarHBondContact CD-OE2 3.36Å; K26-E78 WeakPolarHBondContact CE-OE2 3.2Å; K26-E78 IonicContact NZ-OE1 3.45Å; K26-E78 PolarHBondContact NZ-OE1 3.05Å; K26-E78 IonicContact NZ-OE2 3.83Å; K26-E78 PolarHBondContact NZ-OE2 2.83Å; R74-E78 PolarHBondContact O-N 3.12Å; P75-E78 WeakPolarHBondContact O-CB 3.4Å; P75-E78 PolarHBondContact O-N 2.83Å; E78-R81 PolarHBondContact O-N 2.96Å; E78-R81 IonicContact OE1-CZ 3.25Å; E78-R81 IonicContact OE1-NE 2.69Å; E78-R81 PolarHBondContact OE1-NE 3.47Å; E78-R81 IonicContact OE1-NH2 2.71Å; E78-R81 PolarHBondContact OE1-NH2 2.84Å; E78-Q82 WeakPolarHBondContact O-CB 3.36Å; E78-Q82 PolarHBondContact O-N 3.18Å
79	F	94	Very high	92.5	Very high	141 Å²	141	61.2 Å²	61.2	62%	0.618	30%	0.3	S	S	*	.	H	α-helix	trans	-59	-51.8	179.2	174.5	-94.3	0	0	0	111.5	P75 P76 R81 Q82 Y83	P75-F79 PolarHBondContact O-N 2.73Å; P76-F79 PolarHBondContact O-N 2.94Å; F79-R81 VanDerWaalsContact C-N 3.32Å; F79-R81 PolarHBondContact O-N 3.09Å; F79-Q82 PolarHBondContact O-N 2.79Å; F79-Y83 VanDerWaalsContact O-CB 3.26Å; F79-Y83 WeakPolarHBondContact O-CB 3.4Å; F79-Y83 PolarHBondContact O-N 3.25Å
80	I	93.6	Very high	92.7	Very high	79 Å²	79	62.7 Å²	62.7	41%	0.405	31%	0.308	S	S	.	.	H	α-helix	trans	-58.3	-46.6	-179.8	-69	165.6	0	0	0	110.1	V22 P76 I77 Y83 L84	V22-I80 HydrophobicContact CG1-CB 4.43Å; V22-I80 HydrophobicContact CG1-CG2 4.23Å; V22-I80 HydrophobicContact CG2-CG2 4.31Å; P76-I80 WeakPolarHBondContact O-CB 3.46Å; P76-I80 VanDerWaalsContact O-CG1 3.25Å; P76-I80 WeakPolarHBondContact O-CG1 3.28Å; P76-I80 PolarHBondContact O-N 2.95Å; I77-I80 PolarHBondContact O-N 3.35Å; I80-Y83 PolarHBondContact O-N 2.8Å; I80-L84 HydrophobicContact CG2-CD1 3.68Å; I80-L84 HydrophobicContact CG2-CG 4.21Å; I80-L84 VanDerWaalsContact O-CB 3.31Å; I80-L84 WeakPolarHBondContact O-CB 3.47Å; I80-L84 WeakPolarHBondContact O-CG 3.27Å; I80-L84 PolarHBondContact O-N 3.29Å
81	R	90.5	Very high	93	Very high	18 Å²	18	64.1 Å²	64.1	7%	0.068	31%	0.314	C	S	.	.	H	α-helix	trans	-59.3	-50.9	178.1	-172.3	-163.8	71.3	97.1	6.5	111.3	T19 V22 K26 I77 E78 F79 L84 A85 N141	T19-R81 HydrophobicContact CG2-CG 4.05Å; V22-R81 HydrophobicContact CG1-CB 3.85Å; K26-R81 VanDerWaalsContact NZ-NH2 3.15Å; I77-R81 WeakPolarHBondContact O-CB 3.37Å; I77-R81 PolarHBondContact O-N 2.84Å; E78-R81 PolarHBondContact O-N 2.96Å; E78-R81 IonicContact OE1-CZ 3.25Å; E78-R81 IonicContact OE1-NE 2.69Å; E78-R81 PolarHBondContact OE1-NE 3.47Å; E78-R81 IonicContact OE1-NH2 2.71Å; E78-R81 PolarHBondContact OE1-NH2 2.84Å; F79-R81 VanDerWaalsContact C-N 3.32Å; F79-R81 PolarHBondContact O-N 3.09Å; R81-L84 PolarHBondContact O-N 2.77Å; R81-A85 WeakPolarHBondContact O-CB 3.42Å; R81-A85 PolarHBondContact O-N 3.17Å; R81-N141 PolarHBondContact NH1-OD1 3.49Å
82	Q	91.6	Very high	93.2	Very high	98 Å²	98	59.6 Å²	59.6	46%	0.458	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-41.5	-176.1	-171.2	64.2	22.4	0	0	111.3	E78 F79 Q86	E78-Q82 WeakPolarHBondContact O-CB 3.36Å; E78-Q82 PolarHBondContact O-N 3.18Å; F79-Q82 PolarHBondContact O-N 2.79Å; Q82-Q86 WeakPolarHBondContact O-CB 3.49Å; Q82-Q86 PolarHBondContact O-N 3.32Å
83	Y	94.1	Very high	93.3	Very high	133 Å²	133	55.5 Å²	55.5	52%	0.522	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-50.2	176.9	-179	-102.6	0	0	0	111.7	F79 I80 A85 Q86 W87	F79-Y83 VanDerWaalsContact O-CB 3.26Å; F79-Y83 WeakPolarHBondContact O-CB 3.4Å; F79-Y83 PolarHBondContact O-N 3.25Å; I80-Y83 PolarHBondContact O-N 2.8Å; Y83-A85 VanDerWaalsContact C-N 3.34Å; Y83-A85 PolarHBondContact O-N 3.2Å; Y83-Q86 PolarHBondContact O-N 2.69Å; Y83-W87 WeakPolarHBondContact O-CB 3.37Å; Y83-W87 PolarHBondContact O-N 2.98Å
84	L	92.7	Very high	93.5	Very high	37 Å²	37	59.1 Å²	59.1	19%	0.194	27%	0.274	C	S	.	.	H	α-helix	trans	-62.6	-40.4	179.1	-70.6	177.4	0	0	0	112.3	T19 I80 R81 T88	T19-L84 WeakPolarHBondContact OG1-CB 3.26Å; I80-L84 HydrophobicContact CG2-CD1 3.68Å; I80-L84 HydrophobicContact CG2-CG 4.21Å; I80-L84 VanDerWaalsContact O-CB 3.31Å; I80-L84 WeakPolarHBondContact O-CB 3.47Å; I80-L84 WeakPolarHBondContact O-CG 3.27Å; I80-L84 PolarHBondContact O-N 3.29Å; R81-L84 PolarHBondContact O-N 2.77Å; L84-T88 VanDerWaalsContact O-CB 3.24Å; L84-T88 WeakPolarHBondContact O-CB 3.42Å; L84-T88 PolarHBondContact O-N 3.39Å; L84-T88 PolarHBondContact O-OG1 3.37Å
85	A	92.6	Very high	93.8	Very high	4 Å²	4	56.6 Å²	56.6	3%	0.033	27%	0.268	C	S	.	.	H	α-helix	trans	-60.2	-53.1	174.9	0	0	0	0	0	111.2	T19 R81 Y83 T88 S89 L136 M140	T19-A85 HydrophobicContact CG2-CB 4Å; R81-A85 WeakPolarHBondContact O-CB 3.42Å; R81-A85 PolarHBondContact O-N 3.17Å; Y83-A85 VanDerWaalsContact C-N 3.34Å; Y83-A85 PolarHBondContact O-N 3.2Å; A85-T88 PolarHBondContact O-N 3.26Å; A85-S89 WeakPolarHBondContact O-CB 3.29Å; A85-S89 PolarHBondContact O-N 3.29Å; A85-L136 HydrophobicContact CB-CD2 3.92Å; A85-M140 HydrophobicContact CB-CE 4.34Å; A85-M140 HydrophobicContact CB-SD 3.52Å; A85-M140 VanDerWaalsContact CB-SD 3.52Å
86	Q	94.3	Very high	93.9	Very high	69 Å²	69	53.4 Å²	53.4	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-66.5	-42.8	-177.1	-174	67.5	-1.9	0	0	112.4	Q82 Y83 S89 N90	Q82-Q86 WeakPolarHBondContact O-CB 3.49Å; Q82-Q86 PolarHBondContact O-N 3.32Å; Y83-Q86 PolarHBondContact O-N 2.69Å; Q86-S89 PolarHBondContact O-N 3.06Å; Q86-N90 WeakPolarHBondContact O-CB 3.37Å; Q86-N90 PolarHBondContact O-N 3.16Å; Q86-N90 PolarHBondContact O-ND2 3.29Å
87	W	94.8	Very high	94	Very high	65 Å²	65	53.8 Å²	53.8	25%	0.246	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-48.2	177.1	-176.6	97.9	0	0	0	111.1	Y12 R15 Y83 S89 N90 K91	Y12-W87 HydrophobicContact CD1-CH2 4.41Å; Y12-W87 AromaticContact CD1-CZ3 3.87Å; Y12-W87 HydrophobicContact CD1-CZ3 3.87Å; Y12-W87 HydrophobicContact CE1-CH2 4.05Å; Y12-W87 AromaticContact CE1-CZ3 3.89Å; Y12-W87 HydrophobicContact CE1-CZ3 3.89Å; R15-W87 VanDerWaalsContact CD-CZ3 3.45Å; Y83-W87 WeakPolarHBondContact O-CB 3.37Å; Y83-W87 PolarHBondContact O-N 2.98Å; W87-S89 VanDerWaalsContact C-N 3.32Å; W87-S89 PolarHBondContact O-N 3.11Å; W87-N90 PolarHBondContact O-N 2.88Å; W87-K91 HydrophobicContact CD2-CG 4.09Å; W87-K91 HydrophobicContact CE3-CG 4.11Å; W87-K91 HydrophobicContact CH2-CB 4.37Å; W87-K91 HydrophobicContact CH2-CD 4.36Å; W87-K91 HydrophobicContact CH2-CG 3.66Å; W87-K91 HydrophobicContact CZ2-CD 4.23Å; W87-K91 HydrophobicContact CZ2-CG 3.71Å; W87-K91 HydrophobicContact CZ3-CB 4.21Å; W87-K91 HydrophobicContact CZ3-CG 3.85Å; W87-K91 PolarHBondContact O-N 2.97Å
88	T	94.6	Very high	94.2	Very high	0 Å²	0	58 Å²	58	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-43.4	-178.8	-59.9	0	0	0	0	110.7	Y12 I16 L84 A85 K91 I92	Y12-T88 HydrophobicContact CG-CG2 4.25Å; I16-T88 HydrophobicContact CD1-CG2 4.25Å; I16-T88 HydrophobicContact CG1-CG2 3.84Å; L84-T88 VanDerWaalsContact O-CB 3.24Å; L84-T88 WeakPolarHBondContact O-CB 3.42Å; L84-T88 PolarHBondContact O-N 3.39Å; L84-T88 PolarHBondContact O-OG1 3.37Å; A85-T88 PolarHBondContact O-N 3.26Å; T88-K91 PolarHBondContact O-N 2.81Å; T88-I92 HydrophobicContact CG2-CD1 3.95Å; T88-I92 WeakPolarHBondContact O-CG1 3.42Å; T88-I92 PolarHBondContact O-N 3.17Å; T88-I92 VanDerWaalsContact O-N 3.09Å
89	S	94.2	Very high	94.4	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65	-42.9	179.7	-148.4	0	0	0	0	113.1	A85 Q86 W87 K91 I92 L93 K132	A85-S89 WeakPolarHBondContact O-CB 3.29Å; A85-S89 PolarHBondContact O-N 3.29Å; Q86-S89 PolarHBondContact O-N 3.06Å; W87-S89 VanDerWaalsContact C-N 3.32Å; W87-S89 PolarHBondContact O-N 3.11Å; S89-K91 PolarHBondContact O-N 2.9Å; S89-I92 PolarHBondContact O-N 3.01Å; S89-L93 WeakPolarHBondContact O-CB 3.15Å; S89-L93 PolarHBondContact O-N 2.88Å; S89-L93 VanDerWaalsContact O-N 3.09Å; S89-K132 WeakPolarHBondContact OG-CG 3.18Å; S89-K132 PolarHBondContact OG-O 3.16Å
90	N	95.5	Very high	94.5	Very high	68 Å²	68	53.7 Å²	53.7	36%	0.364	24%	0.237	S	C	.	.	H	α-helix	trans	-65.6	-34.6	174.9	-76.1	-18.7	0	0	0	113.2	Q86 W87 L93 Y94 K132	Q86-N90 WeakPolarHBondContact O-CB 3.37Å; Q86-N90 PolarHBondContact O-N 3.16Å; Q86-N90 PolarHBondContact O-ND2 3.29Å; W87-N90 PolarHBondContact O-N 2.88Å; N90-L93 WeakPolarHBondContact O-CB 3.48Å; N90-L93 PolarHBondContact O-N 2.85Å; N90-Y94 PolarHBondContact O-N 3.38Å; N90-K132 WeakPolarHBondContact OD1-CE 3.46Å; N90-K132 PolarHBondContact OD1-NZ 3.31Å
91	K	95.7	Very high	94.6	Very high	82 Å²	82	56.6 Å²	56.6	36%	0.357	24%	0.244	S	C	.	.	H	α-helix	trans	-71.1	-40.6	178.1	-81.1	-71	-174.5	-175.3	0	112.8	Y12 W87 T88 S89 L93 Y94 D95	Y12-K91 HydrophobicContact CE1-CB 3.82Å; Y12-K91 HydrophobicContact CE1-CG 4.49Å; W87-K91 HydrophobicContact CD2-CG 4.09Å; W87-K91 HydrophobicContact CE3-CG 4.11Å; W87-K91 HydrophobicContact CH2-CB 4.37Å; W87-K91 HydrophobicContact CH2-CD 4.36Å; W87-K91 HydrophobicContact CH2-CG 3.66Å; W87-K91 HydrophobicContact CZ2-CD 4.23Å; W87-K91 HydrophobicContact CZ2-CG 3.71Å; W87-K91 HydrophobicContact CZ3-CB 4.21Å; W87-K91 HydrophobicContact CZ3-CG 3.85Å; W87-K91 PolarHBondContact O-N 2.97Å; T88-K91 PolarHBondContact O-N 2.81Å; S89-K91 PolarHBondContact O-N 2.9Å; K91-L93 VanDerWaalsContact C-N 3.3Å; K91-L93 PolarHBondContact O-N 3.32Å; K91-Y94 WeakPolarHBondContact O-CB 3.47Å; K91-Y94 PolarHBondContact O-N 2.69Å; K91-D95 PolarHBondContact O-N 3.17Å
92	I	95.3	Very high	94.6	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.9	-41.5	173.6	-69	163.3	0	0	0	110.5	Y5 F8 V9 Y12 T88 S89 Y94 D95 I96 I135	Y5-I92 HydrophobicContact CE1-CG2 4.48Å; F8-I92 HydrophobicContact CB-CG2 4Å; V9-I92 HydrophobicContact CB-CD1 4.42Å; V9-I92 HydrophobicContact CG1-CD1 4.45Å; V9-I92 HydrophobicContact CG2-CD1 4.14Å; Y12-I92 HydrophobicContact CD2-CD1 3.91Å; Y12-I92 HydrophobicContact CD2-CG1 3.38Å; Y12-I92 HydrophobicContact CE2-CG1 3.63Å; Y12-I92 HydrophobicContact CG-CD1 4.41Å; Y12-I92 HydrophobicContact CG-CG1 4.21Å; T88-I92 HydrophobicContact CG2-CD1 3.95Å; T88-I92 WeakPolarHBondContact O-CG1 3.42Å; T88-I92 PolarHBondContact O-N 3.17Å; T88-I92 VanDerWaalsContact O-N 3.09Å; S89-I92 PolarHBondContact O-N 3.01Å; I92-Y94 VanDerWaalsContact C-N 3.34Å; I92-Y94 PolarHBondContact O-N 3.21Å; I92-D95 PolarHBondContact O-N 3.24Å; I92-I96 HydrophobicContact CG2-CD1 3.87Å; I92-I96 HydrophobicContact CG2-CG1 4.44Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 2.89Å; I92-I135 HydrophobicContact CB-CD1 3.7Å; I92-I135 HydrophobicContact CD1-CD1 3.45Å; I92-I135 VanDerWaalsContact CD1-CD1 3.45Å; I92-I135 HydrophobicContact CD1-CG1 4.13Å; I92-I135 HydrophobicContact CG1-CD1 4.15Å; I92-I135 HydrophobicContact CG2-CD1 3.71Å
93	L	94.7	Very high	94.7	Very high	8 Å²	8	55.5 Å²	55.5	4%	0.042	24%	0.243	C	C	.	.	H	α-helix	trans	-57.4	-45.7	174.6	-170.7	80.2	0	0	0	112.2	S89 N90 K91 D95 I96 R97 V128 E129	S89-L93 WeakPolarHBondContact O-CB 3.15Å; S89-L93 PolarHBondContact O-N 2.88Å; S89-L93 VanDerWaalsContact O-N 3.09Å; N90-L93 WeakPolarHBondContact O-CB 3.48Å; N90-L93 PolarHBondContact O-N 2.85Å; K91-L93 VanDerWaalsContact C-N 3.3Å; K91-L93 PolarHBondContact O-N 3.32Å; L93-D95 PolarHBondContact O-N 3.14Å; L93-I96 PolarHBondContact O-N 2.97Å; L93-R97 WeakPolarHBondContact O-CG 3.39Å; L93-R97 PolarHBondContact O-N 3.46Å; L93-V128 VanDerWaalsContact CD1-C 3.4Å; L93-V128 HydrophobicContact CD1-CB 4.26Å; L93-V128 HydrophobicContact CD1-CG1 3.31Å; L93-V128 WeakPolarHBondContact CD1-O 3.47Å; L93-V128 HydrophobicContact CG-CG1 4.05Å; L93-E129 WeakPolarHBondContact CD2-OE2 3.31Å
94	Y	96	Very high	94.6	Very high	130 Å²	130	50.1 Å²	50.1	51%	0.51	22%	0.223	S	C	.	.	H	α-helix	trans	-57.6	-46.1	175	170.2	-91.8	0	0	0	111.9	N90 K91 I92 I96 R97 K98	N90-Y94 PolarHBondContact O-N 3.38Å; K91-Y94 WeakPolarHBondContact O-CB 3.47Å; K91-Y94 PolarHBondContact O-N 2.69Å; I92-Y94 VanDerWaalsContact C-N 3.34Å; I92-Y94 PolarHBondContact O-N 3.21Å; Y94-I96 PolarHBondContact O-N 3.26Å; Y94-R97 PolarHBondContact O-N 2.87Å; Y94-K98 HydrophobicContact CE1-CD 4.5Å; Y94-K98 WeakPolarHBondContact O-CB 3.46Å; Y94-K98 PolarHBondContact O-N 3.33Å
95	D	95.9	Very high	94.4	Very high	44 Å²	44	54.1 Å²	54.1	24%	0.235	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-39.2	-179.9	-66.6	-26.5	0	0	0	112.3	F8 Y12 K91 I92 L93 K99	F8-D95 HydrophobicContact CD1-CB 4.32Å; Y12-D95 VanDerWaalsContact CE2-OD2 3.28Å; Y12-D95 WeakPolarHBondContact CE2-OD2 3.45Å; Y12-D95 PolarHBondContact OH-OD2 3.33Å; K91-D95 PolarHBondContact O-N 3.17Å; I92-D95 PolarHBondContact O-N 3.24Å; L93-D95 PolarHBondContact O-N 3.14Å; D95-K99 PolarHBondContact O-N 3.25Å
96	I	96.1	Very high	94.1	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-65.1	-47.4	175.8	-65.4	166.6	0	0	0	110.5	Y5 F8 I92 L93 Y94 K98 K99 L100 V128 V314	Y5-I96 HydrophobicContact CD2-CD1 4.18Å; Y5-I96 HydrophobicContact CE2-CD1 3.43Å; Y5-I96 VanDerWaalsContact CE2-CD1 3.43Å; F8-I96 HydrophobicContact CB-CG1 4.31Å; F8-I96 HydrophobicContact CD1-CG1 3.72Å; F8-I96 HydrophobicContact CD2-CG1 4.04Å; F8-I96 HydrophobicContact CE1-CG1 3.88Å; F8-I96 HydrophobicContact CE2-CG1 4.19Å; F8-I96 HydrophobicContact CG-CD1 4.45Å; F8-I96 HydrophobicContact CG-CG1 3.78Å; F8-I96 HydrophobicContact CZ-CG1 4.08Å; I92-I96 HydrophobicContact CG2-CD1 3.87Å; I92-I96 HydrophobicContact CG2-CG1 4.44Å; I92-I96 WeakPolarHBondContact O-CG1 3.43Å; I92-I96 PolarHBondContact O-N 2.89Å; L93-I96 PolarHBondContact O-N 2.97Å; Y94-I96 PolarHBondContact O-N 3.26Å; I96-K98 PolarHBondContact O-N 3.2Å; I96-K99 PolarHBondContact O-N 3.48Å; I96-L100 HydrophobicContact CG2-CD1 3.86Å; I96-L100 HydrophobicContact CG2-CG 4.42Å; I96-L100 WeakPolarHBondContact O-CB 3.43Å; I96-L100 WeakPolarHBondContact O-CG 3.31Å; I96-L100 PolarHBondContact O-N 3.22Å; I96-V128 HydrophobicContact CB-CG1 4.15Å; I96-V128 HydrophobicContact CG2-CG1 3.8Å; I96-V128 HydrophobicContact CG2-CG2 3.9Å; I96-V314 HydrophobicContact CG2-CG1 4.18Å
97	R	96.7	Very high	93.8	Very high	77 Å²	77	53.5 Å²	53.5	29%	0.291	25%	0.245	S	C	.	.	H	α-helix	trans	-60.6	-43.7	177.9	-74.5	-177.2	176.7	153.2	8.3	111.6	L93 Y94 K99 L100 Y101 I125 V128 E129	L93-R97 WeakPolarHBondContact O-CG 3.39Å; L93-R97 PolarHBondContact O-N 3.46Å; Y94-R97 PolarHBondContact O-N 2.87Å; R97-K99 PolarHBondContact O-N 3.32Å; R97-L100 PolarHBondContact O-N 3.01Å; R97-Y101 WeakPolarHBondContact O-CB 3.19Å; R97-Y101 PolarHBondContact O-N 3.35Å; R97-I125 PolarHBondContact NH2-O 3.42Å; R97-V128 HydrophobicContact CG-CG1 3.76Å; R97-E129 IonicContact CZ-OE2 3.95Å; R97-E129 IonicContact NH2-OE2 3.11Å; R97-E129 PolarHBondContact NH2-OE2 3.44Å
98	K	95.5	Very high	93.3	Very high	114 Å²	114	50.8 Å²	50.8	50%	0.496	24%	0.236	S	C	.	.	H	α-helix	trans	-59.6	-45.3	175.9	-174.2	176.7	-179.1	178	0	111.7	Y94 I96 Y101 N102	Y94-K98 HydrophobicContact CE1-CD 4.5Å; Y94-K98 WeakPolarHBondContact O-CB 3.46Å; Y94-K98 PolarHBondContact O-N 3.33Å; I96-K98 PolarHBondContact O-N 3.2Å; K98-Y101 PolarHBondContact O-N 3.48Å; K98-N102 PolarHBondContact O-N 2.82Å; K98-N102 VanDerWaalsContact O-N 3.13Å; K98-N102 PolarHBondContact O-OD1 3.38Å
99	K	95	Very high	92.5	Very high	99 Å²	99	52.9 Å²	52.9	43%	0.43	25%	0.254	S	S	.	.	H	α-helix	trans	-65.2	-44.6	178	-169.2	-175.7	-173.9	174	0	112	F8 D95 I96 R97 Y101 N102 H103	F8-K99 HydrophobicContact CE1-CB 4.21Å; F8-K99 HydrophobicContact CE1-CD 3.8Å; F8-K99 HydrophobicContact CZ-CB 4.5Å; F8-K99 HydrophobicContact CZ-CD 3.54Å; D95-K99 PolarHBondContact O-N 3.25Å; I96-K99 PolarHBondContact O-N 3.48Å; R97-K99 PolarHBondContact O-N 3.32Å; K99-Y101 VanDerWaalsContact C-N 3.33Å; K99-N102 PolarHBondContact O-N 2.84Å; K99-H103 WeakPolarHBondContact O-CB 3.49Å; K99-H103 PolarHBondContact O-N 3.48Å
100	L	95.4	Very high	92	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61	-43.2	177.4	-81.9	168.9	0	0	0	111.7	I96 R97 H103 L104 V124 V128 V314 L317 I318	I96-L100 HydrophobicContact CG2-CD1 3.86Å; I96-L100 HydrophobicContact CG2-CG 4.42Å; I96-L100 WeakPolarHBondContact O-CB 3.43Å; I96-L100 WeakPolarHBondContact O-CG 3.31Å; I96-L100 PolarHBondContact O-N 3.22Å; R97-L100 PolarHBondContact O-N 3.01Å; L100-H103 WeakPolarHBondContact O-CB 3.37Å; L100-H103 PolarHBondContact O-N 3.23Å; L100-L104 WeakPolarHBondContact O-CB 3.01Å; L100-L104 WeakPolarHBondContact O-CG 3.27Å; L100-L104 PolarHBondContact O-N 3.13Å; L100-V124 HydrophobicContact CB-CG2 4.35Å; L100-V124 HydrophobicContact CD1-CG2 4.35Å; L100-V128 HydrophobicContact CD1-CG2 3.33Å; L100-V314 HydrophobicContact CD1-CG1 4.09Å; L100-L317 HydrophobicContact CD2-CB 4.46Å; L100-L317 HydrophobicContact CD2-CD2 3.86Å; L100-L317 HydrophobicContact CD2-CG 4.05Å; L100-I318 HydrophobicContact CD2-CD1 4.1Å; L100-I318 HydrophobicContact CD2-CG1 3.45Å; L100-I318 VanDerWaalsContact CD2-CG1 3.45Å; L100-I318 HydrophobicContact CG-CD1 4.42Å; L100-I318 HydrophobicContact CG-CG1 4.23Å
101	Y	94.8	Very high	91.6	Very high	141 Å²	141	52.9 Å²	52.9	55%	0.553	25%	0.249	S	C	*	.	H	α-helix	trans	-61.2	-47.7	178.1	-175.6	-110.7	0	0	0	111.7	R97 K98 K99 H103 L104 Q105	R97-Y101 WeakPolarHBondContact O-CB 3.19Å; R97-Y101 PolarHBondContact O-N 3.35Å; K98-Y101 PolarHBondContact O-N 3.48Å; K99-Y101 VanDerWaalsContact C-N 3.33Å; Y101-H103 VanDerWaalsContact C-N 3.26Å; Y101-H103 PolarHBondContact O-N 3.08Å; Y101-L104 PolarHBondContact O-N 2.98Å; Y101-Q105 WeakPolarHBondContact O-CG 3.33Å; Y101-Q105 PolarHBondContact O-N 3.16Å; Y101-Q105 PolarHBondContact OH-NE2 3.48Å
102	N	92	Very high	91.2	Very high	83 Å²	83	53.3 Å²	53.3	44%	0.444	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-36.4	174.7	-68.7	0.1	0	0	0	112.3	K98 K99 A106	K98-N102 PolarHBondContact O-N 2.82Å; K98-N102 VanDerWaalsContact O-N 3.13Å; K98-N102 PolarHBondContact O-OD1 3.38Å; K99-N102 PolarHBondContact O-N 2.84Å; N102-A106 PolarHBondContact O-N 2.9Å
103	H	92.3	Very high	90.6	Very high	10 Å²	10	57 Å²	57	5%	0.046	28%	0.279	C	S	.	.	H	α-helix	trans	-66.5	-45.9	176.6	-178.6	67.4	0	0	0	111.5	K99 L100 Y101 Q105 A106 L107 L317 I318 E320 Y322	K99-H103 WeakPolarHBondContact O-CB 3.49Å; K99-H103 PolarHBondContact O-N 3.48Å; L100-H103 WeakPolarHBondContact O-CB 3.37Å; L100-H103 PolarHBondContact O-N 3.23Å; Y101-H103 VanDerWaalsContact C-N 3.26Å; Y101-H103 PolarHBondContact O-N 3.08Å; H103-Q105 VanDerWaalsContact C-N 3.3Å; H103-Q105 PolarHBondContact O-N 3.11Å; H103-A106 CarbonylContact O-C 3.5Å; H103-A106 WeakPolarHBondContact O-CA 3.4Å; H103-A106 PolarHBondContact O-N 3.17Å; H103-L107 PolarHBondContact O-N 3.49Å; H103-L317 PolarHBondContact CD2-O 3.49Å; H103-L317 PolarHBondContact NE2-O 3.39Å; H103-I318 PolarHBondContact CE1-O 3.27Å; H103-E320 PolarHBondContact CE1-O 3.17Å; H103-E320 PolarHBondContact NE2-O 3.43Å; H103-Y322 AromaticContact CE1-CE1 3.39Å; H103-Y322 WeakPolarHBondContact CE1-CE1 3.43Å; H103-Y322 AromaticContact CE1-CZ 3.66Å; H103-Y322 AromaticContact ND1-CE1 3.15Å; H103-Y322 WeakPolarHBondContact ND1-CE1 2.93Å; H103-Y322 AromaticContact ND1-CZ 3.22Å; H103-Y322 PolarHBondContact ND1-OH 3.29Å
104	L	93.1	Very high	90.2	Very high	20 Å²	20	61.5 Å²	61.5	11%	0.105	30%	0.303	C	S	.	.	H	α-helix	trans	-57.3	-41.8	175.2	-74	-178.7	0	0	0	112	L100 Y101 A106 L107 F111 Y112 V120 V124 L317	L100-L104 WeakPolarHBondContact O-CB 3.01Å; L100-L104 WeakPolarHBondContact O-CG 3.27Å; L100-L104 PolarHBondContact O-N 3.13Å; Y101-L104 PolarHBondContact O-N 2.98Å; L104-A106 PolarHBondContact O-N 3.14Å; L104-L107 HydrophobicContact CD2-CD1 3.89Å; L104-L107 PolarHBondContact O-N 3.46Å; L104-F111 HydrophobicContact CD2-CE1 4.2Å; L104-Y112 VanDerWaalsContact C-OH 3.22Å; L104-Y112 WeakPolarHBondContact CB-OH 3.31Å; L104-Y112 PolarHBondContact O-OH 3.25Å; L104-V120 HydrophobicContact CD1-CG1 3.78Å; L104-V120 HydrophobicContact CD2-CG1 3.55Å; L104-V120 HydrophobicContact CG-CG1 4.34Å; L104-V124 HydrophobicContact CD1-CG2 3.81Å; L104-L317 HydrophobicContact CD2-CD1 4.08Å; L104-L317 HydrophobicContact CD2-CD2 4.36Å
105	Q	88.9	Confident	89.8	Confident	120 Å²	120	57.4 Å²	57.4	56%	0.561	29%	0.291	S	S	*	.	H	α-helix	trans	-63.5	-26	175.6	-70.8	-177.3	-10.3	0	0	113.5	Y101 H103	Y101-Q105 WeakPolarHBondContact O-CG 3.33Å; Y101-Q105 PolarHBondContact O-N 3.16Å; Y101-Q105 PolarHBondContact OH-NE2 3.48Å; H103-Q105 VanDerWaalsContact C-N 3.3Å; H103-Q105 PolarHBondContact O-N 3.11Å
106	A	86.2	Confident	89.5	Confident	48 Å²	48	58.2 Å²	58.2	40%	0.397	29%	0.293	S	S	.	.	H	α-helix	trans	-91	-15	178.5	0	0	0	0	0	113.3	N102 H103 L104 Y322	N102-A106 PolarHBondContact O-N 2.9Å; H103-A106 CarbonylContact O-C 3.5Å; H103-A106 WeakPolarHBondContact O-CA 3.4Å; H103-A106 PolarHBondContact O-N 3.17Å; L104-A106 PolarHBondContact O-N 3.14Å; A106-Y322 HydrophobicContact CB-CD1 3.76Å; A106-Y322 HydrophobicContact CB-CE1 3.35Å; A106-Y322 WeakPolarHBondContact O-CD1 2.89Å
107	L	88.2	Confident	89.2	Confident	12 Å²	12	61.2 Å²	61.2	6%	0.063	31%	0.311	C	S	.	.	S	Bend	trans	-67.6	148.7	172.1	-68.3	176.5	0	0	0	110.8	H103 L104 F111 Y112 L317 E320 Y322	H103-L107 PolarHBondContact O-N 3.49Å; L104-L107 HydrophobicContact CD2-CD1 3.89Å; L104-L107 PolarHBondContact O-N 3.46Å; L107-F111 HydrophobicContact CB-CB 4.2Å; L107-F111 HydrophobicContact CB-CD1 4.21Å; L107-F111 HydrophobicContact CB-CG 4.27Å; L107-F111 HydrophobicContact CD1-CD1 3.6Å; L107-F111 HydrophobicContact CD1-CD2 4.07Å; L107-F111 HydrophobicContact CD1-CE1 3.67Å; L107-F111 HydrophobicContact CD1-CE2 4.12Å; L107-F111 HydrophobicContact CD1-CG 3.8Å; L107-F111 HydrophobicContact CD1-CZ 3.94Å; L107-Y112 HydrophobicContact CB-CE2 4.37Å; L107-L317 HydrophobicContact CD1-CD1 4.44Å; L107-E320 HydrophobicContact CD1-CB 4.47Å; L107-E320 HydrophobicContact CD1-CG 4.36Å; L107-E320 HydrophobicContact CD2-CB 4.01Å; L107-E320 HydrophobicContact CD2-CG 3.79Å; L107-Y322 HydrophobicContact CD2-CD1 4.02Å; L107-Y322 HydrophobicContact CD2-CE1 4.36Å
108	S	82.5	Confident	89.1	Confident	8 Å²	8	57.8 Å²	57.8	6%	0.056	30%	0.299	C	S	.	.			trans	-76.2	169.1	-176.7	72.7	0	0	0	0	112.7	R110 F111 Y112 D323	S108-R110 PolarHBondContact O-N 3.43Å; S108-R110 WeakPolarHBondContact OG-CB 3.48Å; S108-R110 PolarHBondContact OG-N 2.88Å; S108-F111 PolarHBondContact O-N 2.8Å; S108-F111 PolarHBondContact OG-N 2.87Å; S108-Y112 VanDerWaalsContact O-CD2 3.24Å; S108-Y112 WeakPolarHBondContact O-CD2 3.32Å; S108-D323 VanDerWaalsContact CB-OD2 3.29Å; S108-D323 WeakPolarHBondContact CB-OD2 3.38Å; S108-D323 PolarHBondContact OG-OD2 2.81Å
109	A	78.9	Confident	88.9	Confident	45 Å²	45	53.9 Å²	53.9	37%	0.372	28%	0.283	S	S	.	.	H	α-helix	trans	-60.9	-28.3	170.1	0	0	0	0	0	112.9	F111 Y112 A113 Y391	A109-F111 VanDerWaalsContact C-N 3.33Å; A109-F111 PolarHBondContact O-N 3.12Å; A109-Y112 PolarHBondContact O-N 2.68Å; A109-A113 PolarHBondContact O-N 3.48Å; A109-Y391 HydrophobicContact CB-CE2 4.42Å; A109-Y391 WeakPolarHBondContact CB-OH 3.49Å
110	R	83.3	Confident	88.9	Confident	59 Å²	59	49.7 Å²	49.7	22%	0.223	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-42.8	176.4	-169.3	-176.7	-68.3	177.6	-8	111.6	S108 Y112 A113 N114 D323 Y349 Y391	S108-R110 PolarHBondContact O-N 3.43Å; S108-R110 WeakPolarHBondContact OG-CB 3.48Å; S108-R110 PolarHBondContact OG-N 2.88Å; R110-Y112 VanDerWaalsContact C-N 3.31Å; R110-Y112 PolarHBondContact O-N 2.83Å; R110-A113 PolarHBondContact O-N 3.44Å; R110-N114 PolarHBondContact O-N 3.47Å; R110-N114 VanDerWaalsContact O-N 3.08Å; R110-N114 PolarHBondContact O-ND2 2.98Å; R110-D323 VanDerWaalsContact CB-OD2 3.31Å; R110-D323 WeakPolarHBondContact CB-OD2 3.36Å; R110-D323 IonicContact NE-OD2 3.03Å; R110-D323 IonicContact NH1-OD1 3.17Å; R110-Y349 PolarHBondContact NE-O 3.01Å; R110-Y349 PolarHBondContact NH2-O 3.02Å; R110-Y391 HydrophobicContact CB-CE1 3.96Å
111	F	87.7	Confident	88.8	Confident	8 Å²	8	53.6 Å²	53.6	4%	0.035	29%	0.286	C	S	.	.	H	α-helix	trans	-58	-45.7	178.3	174.2	-99.1	0	0	0	111.3	L104 L107 S108 A109 N114 N115 V120 L317 E320	L104-F111 HydrophobicContact CD2-CE1 4.2Å; L107-F111 HydrophobicContact CB-CB 4.2Å; L107-F111 HydrophobicContact CB-CD1 4.21Å; L107-F111 HydrophobicContact CB-CG 4.27Å; L107-F111 HydrophobicContact CD1-CD1 3.6Å; L107-F111 HydrophobicContact CD1-CD2 4.07Å; L107-F111 HydrophobicContact CD1-CE1 3.67Å; L107-F111 HydrophobicContact CD1-CE2 4.12Å; L107-F111 HydrophobicContact CD1-CG 3.8Å; L107-F111 HydrophobicContact CD1-CZ 3.94Å; S108-F111 PolarHBondContact O-N 2.8Å; S108-F111 PolarHBondContact OG-N 2.87Å; A109-F111 VanDerWaalsContact C-N 3.33Å; A109-F111 PolarHBondContact O-N 3.12Å; F111-N114 PolarHBondContact O-N 3.5Å; F111-N115 WeakPolarHBondContact CD2-ND2 3.5Å; F111-N115 HydrophobicContact CE2-CB 4.48Å; F111-N115 WeakPolarHBondContact CE2-ND2 3.42Å; F111-N115 HydrophobicContact CZ-CB 4.33Å; F111-N115 WeakPolarHBondContact O-CB 3.22Å; F111-N115 PolarHBondContact O-N 2.77Å; F111-N115 PolarHBondContact O-ND2 2.83Å; F111-V120 HydrophobicContact CE1-CG2 3.82Å; F111-V120 HydrophobicContact CZ-CG2 3.97Å; F111-L317 HydrophobicContact CE1-CD1 4.39Å; F111-L317 HydrophobicContact CE2-CD1 4.2Å; F111-L317 HydrophobicContact CZ-CD1 3.59Å; F111-E320 HydrophobicContact CD2-CG 3.61Å; F111-E320 HydrophobicContact CE2-CG 3.79Å
112	Y	87.4	Confident	88.9	Confident	91 Å²	91	47 Å²	47	36%	0.357	26%	0.26	S	S	.	.	H	α-helix	trans	-73	-28	-179.7	-64.3	-71.9	0	0	0	113.5	L104 L107 S108 A109 R110 N114	L104-Y112 VanDerWaalsContact C-OH 3.22Å; L104-Y112 WeakPolarHBondContact CB-OH 3.31Å; L104-Y112 PolarHBondContact O-OH 3.25Å; L107-Y112 HydrophobicContact CB-CE2 4.37Å; S108-Y112 VanDerWaalsContact O-CD2 3.24Å; S108-Y112 WeakPolarHBondContact O-CD2 3.32Å; A109-Y112 PolarHBondContact O-N 2.68Å; R110-Y112 VanDerWaalsContact C-N 3.31Å; R110-Y112 PolarHBondContact O-N 2.83Å; Y112-N114 VanDerWaalsContact C-N 3.34Å
113	A	82.2	Confident	89	Confident	78 Å²	78	44 Å²	44	65%	0.645	24%	0.243	S	C	*	.	H	α-helix	trans	-68.3	-34.5	171.7	0	0	0	0	0	112.2	A109 R110	A109-A113 PolarHBondContact O-N 3.48Å; R110-A113 PolarHBondContact O-N 3.44Å
114	N	85.2	Confident	89.1	Confident	102 Å²	102	44.5 Å²	44.5	55%	0.545	25%	0.246	S	C	.	.	H	α-helix	trans	-93.3	-10.8	-176.2	-69.7	-25.7	0	0	0	114.2	R110 F111 Y112	R110-N114 PolarHBondContact O-N 3.47Å; R110-N114 VanDerWaalsContact O-N 3.08Å; R110-N114 PolarHBondContact O-ND2 2.98Å; F111-N114 PolarHBondContact O-N 3.5Å; Y112-N114 VanDerWaalsContact C-N 3.34Å
115	N	88	Confident	89.2	Confident	45 Å²	45	47.3 Å²	47.3	24%	0.241	26%	0.261	C	S	.	.	S	Bend	trans	-127	133.6	-175.6	-68.5	-89	0	0	0	112.2	F111 V117 V120	F111-N115 WeakPolarHBondContact CD2-ND2 3.5Å; F111-N115 HydrophobicContact CE2-CB 4.48Å; F111-N115 WeakPolarHBondContact CE2-ND2 3.42Å; F111-N115 HydrophobicContact CZ-CB 4.33Å; F111-N115 WeakPolarHBondContact O-CB 3.22Å; F111-N115 PolarHBondContact O-N 2.77Å; F111-N115 PolarHBondContact O-ND2 2.83Å; N115-V117 PolarHBondContact O-N 3.24Å; N115-V120 HydrophobicContact CB-CG2 4.35Å
116	Q	89.5	Confident	89.5	Confident	61 Å²	61	44.4 Å²	44.4	29%	0.285	25%	0.249	S	C	.	.			trans	-65.8	126	173.4	-68.9	-179.8	-22.6	0	0	110.9	G118 Q119 V120 E205	Q116-G118 PolarHBondContact O-N 3.45Å; Q116-Q119 HydrophobicContact CB-CB 4.49Å; Q116-Q119 HydrophobicContact CB-CG 4.1Å; Q116-Q119 WeakPolarHBondContact O-CB 3.39Å; Q116-Q119 PolarHBondContact O-N 3.46Å; Q116-V120 PolarHBondContact O-N 2.86Å; Q116-E205 PolarHBondContact NE2-OE2 2.87Å
117	V	91.4	Very high	89.9	Confident	65 Å²	65	42.3 Å²	42.3	39%	0.394	23%	0.231	S	C	.	.	H	α-helix	trans	-53.1	-41	179.4	176.5	0	0	0	0	112.1	N115 Q119 V120 I121	N115-V117 PolarHBondContact O-N 3.24Å; V117-Q119 VanDerWaalsContact C-N 3.27Å; V117-Q119 PolarHBondContact O-N 3.35Å; V117-V120 WeakPolarHBondContact O-CB 3.44Å; V117-V120 PolarHBondContact O-N 3.32Å; V117-V120 VanDerWaalsContact O-N 3.07Å; V117-I121 HydrophobicContact CG1-CD1 3.91Å; V117-I121 HydrophobicContact CG1-CG1 4.37Å; V117-I121 WeakPolarHBondContact O-CG1 3.34Å; V117-I121 PolarHBondContact O-N 3.36Å
118	G	92.7	Very high	90.3	Very high	4 Å²	4	41.8 Å²	41.8	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-61	-31.5	176.9	0	0	0	0	0	114.2	Q116 S122	Q116-G118 PolarHBondContact O-N 3.45Å; G118-S122 WeakPolarHBondContact O-CB 3.44Å; G118-S122 PolarHBondContact O-N 3.17Å
119	Q	93	Very high	90.9	Very high	32 Å²	32	44.5 Å²	44.5	15%	0.15	24%	0.24	C	C	.	.	H	α-helix	trans	-72.9	-36.8	174.1	-66	-170.9	36.8	0	0	111.9	Q116 V117 S122 R123 A197	Q116-Q119 HydrophobicContact CB-CB 4.49Å; Q116-Q119 HydrophobicContact CB-CG 4.1Å; Q116-Q119 WeakPolarHBondContact O-CB 3.39Å; Q116-Q119 PolarHBondContact O-N 3.46Å; V117-Q119 VanDerWaalsContact C-N 3.27Å; V117-Q119 PolarHBondContact O-N 3.35Å; Q119-S122 WeakPolarHBondContact O-CB 3.35Å; Q119-S122 PolarHBondContact O-N 3.35Å; Q119-R123 WeakPolarHBondContact O-CG 3.47Å; Q119-R123 PolarHBondContact O-N 3.24Å; Q119-R123 VanDerWaalsContact O-N 3.11Å; Q119-A197 HydrophobicContact CG-CB 4.41Å; Q119-A197 WeakPolarHBondContact CG-O 3.38Å
120	V	94.4	Very high	91.7	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.067	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-46.1	174.7	-178.8	0	0	0	0	110	L104 F111 N115 Q116 V117 S122 R123 V124	L104-V120 HydrophobicContact CD1-CG1 3.78Å; L104-V120 HydrophobicContact CD2-CG1 3.55Å; L104-V120 HydrophobicContact CG-CG1 4.34Å; F111-V120 HydrophobicContact CE1-CG2 3.82Å; F111-V120 HydrophobicContact CZ-CG2 3.97Å; N115-V120 HydrophobicContact CB-CG2 4.35Å; Q116-V120 PolarHBondContact O-N 2.86Å; V117-V120 WeakPolarHBondContact O-CB 3.44Å; V117-V120 PolarHBondContact O-N 3.32Å; V117-V120 VanDerWaalsContact O-N 3.07Å; V120-S122 VanDerWaalsContact C-N 3.35Å; V120-S122 PolarHBondContact O-N 2.79Å; V120-R123 PolarHBondContact O-N 3.05Å; V120-R123 VanDerWaalsContact O-N 3.17Å; V120-V124 WeakPolarHBondContact O-CG2 3.17Å; V120-V124 PolarHBondContact O-N 3.06Å; V120-V124 VanDerWaalsContact O-N 3.09Å
121	I	94.4	Very high	92.2	Very high	82 Å²	82	42.7 Å²	42.7	42%	0.421	23%	0.226	S	C	.	.	H	α-helix	trans	-59.2	-45.4	175.6	-66	169.1	0	0	0	110.9	V117 R123 V124 I125	V117-I121 HydrophobicContact CG1-CD1 3.91Å; V117-I121 HydrophobicContact CG1-CG1 4.37Å; V117-I121 WeakPolarHBondContact O-CG1 3.34Å; V117-I121 PolarHBondContact O-N 3.36Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 2.83Å; I121-V124 PolarHBondContact O-N 3.11Å; I121-V124 VanDerWaalsContact O-N 3.16Å; I121-I125 HydrophobicContact CG2-CG1 4.07Å; I121-I125 WeakPolarHBondContact O-CB 3.3Å; I121-I125 WeakPolarHBondContact O-CG1 3.43Å; I121-I125 PolarHBondContact O-N 2.71Å
122	S	95.4	Very high	92.5	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.014	23%	0.229	C	C	.	.	H	α-helix	trans	-54	-44.2	175.9	-175.2	0	0	0	0	112.3	G118 Q119 V120 N126 D127 Q200	G118-S122 WeakPolarHBondContact O-CB 3.44Å; G118-S122 PolarHBondContact O-N 3.17Å; Q119-S122 WeakPolarHBondContact O-CB 3.35Å; Q119-S122 PolarHBondContact O-N 3.35Å; V120-S122 VanDerWaalsContact C-N 3.35Å; V120-S122 PolarHBondContact O-N 2.79Å; S122-N126 WeakPolarHBondContact O-CA 3.44Å; S122-N126 WeakPolarHBondContact O-CB 3.46Å; S122-N126 PolarHBondContact O-N 3Å; S122-D127 PolarHBondContact O-N 2.85Å; S122-Q200 PolarHBondContact OG-OE1 2.82Å
123	R	94	Very high	92.9	Very high	21 Å²	21	40.8 Å²	40.8	8%	0.079	22%	0.222	C	C	.	.	I	π-helix	trans	-65.5	-42.6	178	-68.7	-176.4	-169.2	179.1	7.8	112.1	Q119 V120 I121 D127 V128 L317	Q119-R123 WeakPolarHBondContact O-CG 3.47Å; Q119-R123 PolarHBondContact O-N 3.24Å; Q119-R123 VanDerWaalsContact O-N 3.11Å; V120-R123 PolarHBondContact O-N 3.05Å; V120-R123 VanDerWaalsContact O-N 3.17Å; I121-R123 VanDerWaalsContact C-N 3.28Å; I121-R123 PolarHBondContact O-N 2.83Å; R123-D127 WeakPolarHBondContact CA-OD2 3.39Å; R123-D127 WeakPolarHBondContact O-CB 3.41Å; R123-V128 WeakPolarHBondContact O-CG2 3.26Å; R123-V128 PolarHBondContact O-N 2.82Å; R123-L317 HydrophobicContact CB-CD2 3.89Å
124	V	95.8	Very high	93.5	Very high	21 Å²	21	37.7 Å²	37.7	13%	0.127	19%	0.194	C	C	.	.	I	π-helix	trans	-74.1	-31.3	-177.9	178	0	0	0	0	112.9	L100 L104 V120 I121 V128 L317	L100-V124 HydrophobicContact CB-CG2 4.35Å; L100-V124 HydrophobicContact CD1-CG2 4.35Å; L104-V124 HydrophobicContact CD1-CG2 3.81Å; V120-V124 WeakPolarHBondContact O-CG2 3.17Å; V120-V124 PolarHBondContact O-N 3.06Å; V120-V124 VanDerWaalsContact O-N 3.09Å; I121-V124 PolarHBondContact O-N 3.11Å; I121-V124 VanDerWaalsContact O-N 3.16Å; V124-V128 VanDerWaalsContact O-CB 3.25Å; V124-V128 WeakPolarHBondContact O-CB 3.33Å; V124-V128 VanDerWaalsContact O-CG2 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.42Å; V124-L317 HydrophobicContact CG2-CD2 4.08Å
125	I	94.1	Very high	93.8	Very high	79 Å²	79	32.9 Å²	32.9	41%	0.405	17%	0.168	S	C	.	.	I	π-helix	trans	-99	-67.5	-175.8	-57.8	-58.4	0	0	0	111.1	R97 I121 E129	R97-I125 PolarHBondContact NH2-O 3.42Å; I121-I125 HydrophobicContact CG2-CG1 4.07Å; I121-I125 WeakPolarHBondContact O-CB 3.3Å; I121-I125 WeakPolarHBondContact O-CG1 3.43Å; I121-I125 PolarHBondContact O-N 2.71Å; I125-E129 WeakPolarHBondContact O-CB 3.4Å; I125-E129 PolarHBondContact O-N 2.95Å; I125-E129 VanDerWaalsContact O-N 3.07Å
126	N	94.7	Very high	94	Very high	59 Å²	59	32.1 Å²	32.1	32%	0.316	16%	0.164	S	C	.	.	I	π-helix	trans	-69.9	-52.7	-173.1	-64.9	86.4	0	0	0	111.7	S122 V128 E129 Q130 Q200	S122-N126 WeakPolarHBondContact O-CA 3.44Å; S122-N126 WeakPolarHBondContact O-CB 3.46Å; S122-N126 PolarHBondContact O-N 3Å; N126-V128 PolarHBondContact O-N 3.39Å; N126-E129 WeakPolarHBondContact O-CB 3.29Å; N126-E129 PolarHBondContact O-N 3.47Å; N126-Q130 WeakPolarHBondContact O-CG 3.45Å; N126-Q130 PolarHBondContact O-N 3.42Å; N126-Q200 PolarHBondContact OD1-NE2 3.28Å
127	D	95.6	Very high	94.2	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	15%	0.154	C	C	.	.	I	π-helix	trans	-66.7	-39.8	-175.4	-67.8	-45.9	0	0	0	111.6	S122 R123 E129 Q130 T131 S310 R313 V314	S122-D127 PolarHBondContact O-N 2.85Å; R123-D127 WeakPolarHBondContact CA-OD2 3.39Å; R123-D127 WeakPolarHBondContact O-CB 3.41Å; D127-E129 PolarHBondContact O-N 2.93Å; D127-Q130 PolarHBondContact O-N 3.25Å; D127-T131 VanDerWaalsContact O-CG2 3.27Å; D127-T131 WeakPolarHBondContact O-CG2 3.49Å; D127-T131 PolarHBondContact O-N 2.82Å; D127-T131 VanDerWaalsContact O-N 3.17Å; D127-S310 WeakPolarHBondContact O-CB 3.29Å; D127-R313 VanDerWaalsContact CG-NE 3.34Å; D127-R313 IonicContact OD1-NE 3.64Å; D127-R313 PolarHBondContact OD1-NE 3.44Å; D127-R313 IonicContact OD2-CZ 3.52Å; D127-R313 IonicContact OD2-NE 3.78Å; D127-R313 PolarHBondContact OD2-NE 2.96Å; D127-R313 IonicContact OD2-NH2 3.63Å; D127-R313 PolarHBondContact OD2-NH2 3.3Å; D127-V314 HydrophobicContact CB-CG2 3.75Å
128	V	96.2	Very high	94.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.4	-43.9	173.6	175.6	0	0	0	0	111	L93 I96 R97 L100 R123 V124 N126 Q130 T131 V314	L93-V128 VanDerWaalsContact CD1-C 3.4Å; L93-V128 HydrophobicContact CD1-CB 4.26Å; L93-V128 HydrophobicContact CD1-CG1 3.31Å; L93-V128 WeakPolarHBondContact CD1-O 3.47Å; L93-V128 HydrophobicContact CG-CG1 4.05Å; I96-V128 HydrophobicContact CB-CG1 4.15Å; I96-V128 HydrophobicContact CG2-CG1 3.8Å; I96-V128 HydrophobicContact CG2-CG2 3.9Å; R97-V128 HydrophobicContact CG-CG1 3.76Å; L100-V128 HydrophobicContact CD1-CG2 3.33Å; R123-V128 WeakPolarHBondContact O-CG2 3.26Å; R123-V128 PolarHBondContact O-N 2.82Å; V124-V128 VanDerWaalsContact O-CB 3.25Å; V124-V128 WeakPolarHBondContact O-CB 3.33Å; V124-V128 VanDerWaalsContact O-CG2 3.32Å; V124-V128 WeakPolarHBondContact O-CG2 3.42Å; N126-V128 PolarHBondContact O-N 3.39Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.11Å; V128-T131 WeakPolarHBondContact O-CB 3.43Å; V128-T131 PolarHBondContact O-N 3.05Å; V128-T131 PolarHBondContact O-OG1 3.38Å; V128-V314 HydrophobicContact CG2-CG1 4.25Å; V128-V314 HydrophobicContact CG2-CG2 3.64Å
129	E	96.1	Very high	94	Very high	66 Å²	66	28.4 Å²	28.4	31%	0.308	15%	0.146	S	C	.	.	H	α-helix	trans	-57.7	-43.4	175	-169.8	66.7	-146.6	0	0	111.5	L93 R97 I125 N126 D127 T131 K132	L93-E129 WeakPolarHBondContact CD2-OE2 3.31Å; R97-E129 IonicContact CZ-OE2 3.95Å; R97-E129 IonicContact NH2-OE2 3.11Å; R97-E129 PolarHBondContact NH2-OE2 3.44Å; I125-E129 WeakPolarHBondContact O-CB 3.4Å; I125-E129 PolarHBondContact O-N 2.95Å; I125-E129 VanDerWaalsContact O-N 3.07Å; N126-E129 WeakPolarHBondContact O-CB 3.29Å; N126-E129 PolarHBondContact O-N 3.47Å; D127-E129 PolarHBondContact O-N 2.93Å; E129-T131 PolarHBondContact O-N 3.34Å; E129-K132 WeakPolarHBondContact O-CB 3.49Å; E129-K132 PolarHBondContact O-N 3.46Å; E129-K132 VanDerWaalsContact O-N 3.09Å; E129-K132 WeakPolarHBondContact OE1-CD 3.42Å; E129-K132 IonicContact OE1-NZ 3.25Å
130	Q	94.9	Very high	93.8	Very high	64 Å²	64	27 Å²	27	30%	0.299	14%	0.139	S	C	.	.	H	α-helix	trans	-66.5	-22	178	-63.1	-60.9	-57.5	0	0	113.1	N126 D127 V128 K132 D133 Q306 S307 S310	N126-Q130 WeakPolarHBondContact O-CG 3.45Å; N126-Q130 PolarHBondContact O-N 3.42Å; D127-Q130 PolarHBondContact O-N 3.25Å; V128-Q130 VanDerWaalsContact C-N 3.31Å; V128-Q130 PolarHBondContact O-N 3.11Å; Q130-K132 PolarHBondContact O-N 3.18Å; Q130-D133 PolarHBondContact O-N 3.08Å; Q130-Q306 HydrophobicContact CB-CG 4.39Å; Q130-Q306 HydrophobicContact CG-CG 4.36Å; Q130-S307 WeakPolarHBondContact O-CA 3.27Å; Q130-S307 WeakPolarHBondContact O-CB 3.01Å; Q130-S307 PolarHBondContact O-OG 3.27Å; Q130-S310 WeakPolarHBondContact CB-OG 3.31Å
131	T	94.9	Very high	93.6	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.15	C	C	.	.	H	α-helix	trans	-67	-24.1	174.1	75.8	0	0	0	0	112.8	Y5 D127 V128 E129 D133 F134 S307 M311 V314	Y5-T131 HydrophobicContact CE2-CG2 4.27Å; Y5-T131 PolarHBondContact OH-O 3.44Å; Y5-T131 VanDerWaalsContact OH-O 3.12Å; Y5-T131 PolarHBondContact OH-OG1 3.21Å; D127-T131 VanDerWaalsContact O-CG2 3.27Å; D127-T131 WeakPolarHBondContact O-CG2 3.49Å; D127-T131 PolarHBondContact O-N 2.82Å; D127-T131 VanDerWaalsContact O-N 3.17Å; V128-T131 WeakPolarHBondContact O-CB 3.43Å; V128-T131 PolarHBondContact O-N 3.05Å; V128-T131 PolarHBondContact O-OG1 3.38Å; E129-T131 PolarHBondContact O-N 3.34Å; T131-D133 PolarHBondContact O-N 3.44Å; T131-F134 WeakPolarHBondContact O-CB 3.33Å; T131-F134 PolarHBondContact O-N 3.45Å; T131-S307 WeakPolarHBondContact CA-OG 3.43Å; T131-S307 PolarHBondContact O-OG 3.49Å; T131-M311 HydrophobicContact CG2-CB 4.31Å; T131-M311 HydrophobicContact CG2-CG 3.5Å; T131-M311 VanDerWaalsContact CG2-CG 3.5Å; T131-V314 HydrophobicContact CG2-CG2 4.26Å
132	K	93.7	Very high	93.5	Very high	20 Å²	20	26.3 Å²	26.3	9%	0.087	14%	0.136	C	C	.	.	H	α-helix	trans	-53	-36	176.8	-170.5	-175.4	176	158.8	0	112.4	S89 N90 E129 Q130 F134 I135 L136	S89-K132 WeakPolarHBondContact OG-CG 3.18Å; S89-K132 PolarHBondContact OG-O 3.16Å; N90-K132 WeakPolarHBondContact OD1-CE 3.46Å; N90-K132 PolarHBondContact OD1-NZ 3.31Å; E129-K132 WeakPolarHBondContact O-CB 3.49Å; E129-K132 PolarHBondContact O-N 3.46Å; E129-K132 VanDerWaalsContact O-N 3.09Å; E129-K132 WeakPolarHBondContact OE1-CD 3.42Å; E129-K132 IonicContact OE1-NZ 3.25Å; Q130-K132 PolarHBondContact O-N 3.18Å; K132-F134 VanDerWaalsContact C-N 3.27Å; K132-F134 PolarHBondContact O-N 3.35Å; K132-I135 WeakPolarHBondContact O-CB 3.48Å; K132-I135 PolarHBondContact O-N 3.41Å; K132-I135 VanDerWaalsContact O-N 3.07Å; K132-L136 HydrophobicContact CG-CD1 4.24Å; K132-L136 PolarHBondContact O-N 2.88Å
133	D	94.1	Very high	93.2	Very high	40 Å²	40	33.3 Å²	33.3	21%	0.214	16%	0.162	C	C	.	.	H	α-helix	trans	-68.7	-24	-178.8	-69.9	-31.6	0	0	0	113.4	Q130 T131 I135 T137 G138 T303	Q130-D133 PolarHBondContact O-N 3.08Å; T131-D133 PolarHBondContact O-N 3.44Å; D133-I135 PolarHBondContact O-N 3.19Å; D133-T137 WeakPolarHBondContact O-CA 3.37Å; D133-T137 WeakPolarHBondContact O-CB 3.43Å; D133-T137 PolarHBondContact O-N 3Å; D133-G138 PolarHBondContact O-N 3.02Å; D133-T303 HydrophobicContact CB-CG2 3.48Å; D133-T303 VanDerWaalsContact CB-CG2 3.48Å; D133-T303 WeakPolarHBondContact OD2-CG2 3.44Å
134	F	95.1	Very high	93	Very high	13 Å²	13	32.4 Å²	32.4	6%	0.057	16%	0.159	C	C	.	.	I	π-helix	trans	-62.2	-35.1	171.5	177.2	-105.9	0	0	0	111	I2 Y5 L6 T131 K132 G138 L139 L304 S307 F308 M311	I2-F134 HydrophobicContact CG2-CZ 3.96Å; Y5-F134 AromaticContact CD1-CD1 3.57Å; Y5-F134 HydrophobicContact CD1-CD1 3.57Å; Y5-F134 AromaticContact CD1-CE1 3.85Å; Y5-F134 HydrophobicContact CD1-CE1 3.85Å; Y5-F134 AromaticContact CE1-CD1 3.58Å; Y5-F134 HydrophobicContact CE1-CD1 3.58Å; Y5-F134 HydrophobicContact CE1-CE1 4.25Å; L6-F134 HydrophobicContact CD2-CE1 4.38Å; T131-F134 WeakPolarHBondContact O-CB 3.33Å; T131-F134 PolarHBondContact O-N 3.45Å; K132-F134 VanDerWaalsContact C-N 3.27Å; K132-F134 PolarHBondContact O-N 3.35Å; F134-G138 CarbonylContact O-C 3.56Å; F134-G138 WeakPolarHBondContact O-CA 3.26Å; F134-G138 PolarHBondContact O-N 3.3Å; F134-L139 HydrophobicContact CD1-CD1 4.27Å; F134-L139 HydrophobicContact CD1-CG 4.29Å; F134-L139 HydrophobicContact CE1-CD1 3.88Å; F134-L139 HydrophobicContact CE1-CD2 3.97Å; F134-L139 HydrophobicContact CE1-CG 3.88Å; F134-L139 HydrophobicContact CZ-CD2 3.88Å; F134-L139 HydrophobicContact CZ-CG 4.2Å; F134-L139 PolarHBondContact O-N 3.01Å; F134-L304 HydrophobicContact CD2-CD2 3.87Å; F134-S307 VanDerWaalsContact CB-OG 3.29Å; F134-S307 WeakPolarHBondContact CB-OG 3.2Å; F134-S307 PolarHBondContact N-OG 3.43Å; F134-F308 HydrophobicContact CD2-CD1 4.33Å; F134-F308 AromaticContact CD2-CE1 3.47Å; F134-F308 HydrophobicContact CD2-CE1 3.47Å; F134-F308 VanDerWaalsContact CD2-CE1 3.47Å; F134-F308 AromaticContact CD2-CZ 3.92Å; F134-F308 HydrophobicContact CD2-CZ 3.92Å; F134-F308 AromaticContact CE2-CE1 3.47Å; F134-F308 HydrophobicContact CE2-CE1 3.47Å; F134-F308 VanDerWaalsContact CE2-CE1 3.47Å; F134-F308 AromaticContact CE2-CZ 3.77Å; F134-F308 HydrophobicContact CE2-CZ 3.77Å; F134-F308 HydrophobicContact CZ-CE1 4.49Å; F134-M311 HydrophobicContact CB-CE 4.39Å; F134-M311 HydrophobicContact CB-SD 4.06Å; F134-M311 HydrophobicContact CD1-CE 3.96Å; F134-M311 HydrophobicContact CE1-CE 4.39Å; F134-M311 HydrophobicContact CG-CE 4.04Å; F134-M311 HydrophobicContact CG-SD 4.16Å
135	I	92.5	Very high	92.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	I	π-helix	trans	-73.3	-54.1	177.7	-58.2	160.6	0	0	0	109.9	Y5 I92 K132 D133 L139 M140	Y5-I135 HydrophobicContact CE1-CD1 4.21Å; Y5-I135 HydrophobicContact CE1-CG1 3.92Å; Y5-I135 VanDerWaalsContact OH-CD1 3.26Å; Y5-I135 WeakPolarHBondContact OH-CD1 3.46Å; I92-I135 HydrophobicContact CB-CD1 3.7Å; I92-I135 HydrophobicContact CD1-CD1 3.45Å; I92-I135 VanDerWaalsContact CD1-CD1 3.45Å; I92-I135 HydrophobicContact CD1-CG1 4.13Å; I92-I135 HydrophobicContact CG1-CD1 4.15Å; I92-I135 HydrophobicContact CG2-CD1 3.71Å; K132-I135 WeakPolarHBondContact O-CB 3.48Å; K132-I135 PolarHBondContact O-N 3.41Å; K132-I135 VanDerWaalsContact O-N 3.07Å; D133-I135 PolarHBondContact O-N 3.19Å; I135-L139 WeakPolarHBondContact O-CB 3.14Å; I135-L139 PolarHBondContact O-N 3.41Å; I135-M140 HydrophobicContact CG2-CE 3.75Å; I135-M140 WeakPolarHBondContact O-CG 3.49Å; I135-M140 PolarHBondContact O-N 3.11Å
136	L	92.8	Very high	92.8	Very high	29 Å²	29	30.1 Å²	30.1	15%	0.152	15%	0.15	C	C	.	.	I	π-helix	trans	-66.4	-46.1	-175	-63.4	176.8	0	0	0	111.9	A85 K132 M140 N141	A85-L136 HydrophobicContact CB-CD2 3.92Å; K132-L136 HydrophobicContact CG-CD1 4.24Å; K132-L136 PolarHBondContact O-N 2.88Å; L136-M140 WeakPolarHBondContact O-CB 3.03Å; L136-N141 PolarHBondContact O-N 3.34Å; L136-N141 PolarHBondContact O-ND2 3.36Å; L136-N141 PolarHBondContact O-OD1 2.88Å
137	T	92.8	Very high	92.6	Very high	13 Å²	13	29.4 Å²	29.4	8%	0.08	15%	0.145	C	C	.	.	I	π-helix	trans	-91	-53.8	-175.8	-58.1	0	0	0	0	110.8	D133 N141 I142 L304	D133-T137 WeakPolarHBondContact O-CA 3.37Å; D133-T137 WeakPolarHBondContact O-CB 3.43Å; D133-T137 PolarHBondContact O-N 3Å; T137-N141 PolarHBondContact O-N 3.47Å; T137-I142 HydrophobicContact CG2-CD1 4.41Å; T137-I142 HydrophobicContact CG2-CG1 4.41Å; T137-I142 VanDerWaalsContact O-CG1 3.32Å; T137-I142 WeakPolarHBondContact O-CG1 3.38Å; T137-I142 PolarHBondContact O-N 2.81Å; T137-L304 HydrophobicContact CG2-CG 4.37Å
138	G	90.7	Very high	92.3	Very high	10 Å²	10	29.5 Å²	29.5	10%	0.103	15%	0.146	C	C	.	.	I	π-helix	trans	-69.8	-43.1	-173.2	0	0	0	0	0	115.3	D133 F134	D133-G138 PolarHBondContact O-N 3.02Å; F134-G138 CarbonylContact O-C 3.56Å; F134-G138 WeakPolarHBondContact O-CA 3.26Å; F134-G138 PolarHBondContact O-N 3.3Å
139	L	89.5	Confident	92.2	Very high	30 Å²	30	30.2 Å²	30.2	16%	0.157	15%	0.15	C	C	.	.	I	π-helix	trans	-96.6	-17.9	-175	-60.6	-178.2	0	0	0	113.6	L6 V9 I16 F134 I135	L6-L139 HydrophobicContact CD2-CD1 4.37Å; V9-L139 HydrophobicContact CG1-CD1 3.9Å; V9-L139 HydrophobicContact CG2-CD1 4.22Å; I16-L139 HydrophobicContact CD1-CD1 4.39Å; F134-L139 HydrophobicContact CD1-CD1 4.27Å; F134-L139 HydrophobicContact CD1-CG 4.29Å; F134-L139 HydrophobicContact CE1-CD1 3.88Å; F134-L139 HydrophobicContact CE1-CD2 3.97Å; F134-L139 HydrophobicContact CE1-CG 3.88Å; F134-L139 HydrophobicContact CZ-CD2 3.88Å; F134-L139 HydrophobicContact CZ-CG 4.2Å; F134-L139 PolarHBondContact O-N 3.01Å; I135-L139 WeakPolarHBondContact O-CB 3.14Å; I135-L139 PolarHBondContact O-N 3.41Å
140	M	88.7	Confident	92	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.16	C	C	.	.	I	π-helix	trans	-116	-68.1	-177.9	-58.7	171.9	-178.8	0	0	112.1	I16 T19 A85 I135 L136 I142 W143 L144	I16-M140 HydrophobicContact CB-CE 4.49Å; I16-M140 HydrophobicContact CG1-CE 3.93Å; I16-M140 HydrophobicContact CG2-CE 4.42Å; T19-M140 HydrophobicContact CG2-CE 4.22Å; T19-M140 HydrophobicContact CG2-CG 4.45Å; T19-M140 HydrophobicContact CG2-SD 3.82Å; A85-M140 HydrophobicContact CB-CE 4.34Å; A85-M140 HydrophobicContact CB-SD 3.52Å; A85-M140 VanDerWaalsContact CB-SD 3.52Å; I135-M140 HydrophobicContact CG2-CE 3.75Å; I135-M140 WeakPolarHBondContact O-CG 3.49Å; I135-M140 PolarHBondContact O-N 3.11Å; L136-M140 WeakPolarHBondContact O-CB 3.03Å; M140-I142 PolarHBondContact O-N 3.43Å; M140-W143 PolarHBondContact O-N 3.3Å; M140-L144 WeakPolarHBondContact O-CG 3.45Å; M140-L144 PolarHBondContact O-N 3Å
141	N	90.1	Very high	91.8	Very high	53 Å²	53	31.7 Å²	31.7	28%	0.283	16%	0.16	S	C	.	.	I	π-helix	trans	-64.1	-43.3	-170	-65.7	-17	0	0	0	113.6	R81 L136 T137 W143 L144 D145	R81-N141 PolarHBondContact NH1-OD1 3.49Å; L136-N141 PolarHBondContact O-N 3.34Å; L136-N141 PolarHBondContact O-ND2 3.36Å; L136-N141 PolarHBondContact O-OD1 2.88Å; T137-N141 PolarHBondContact O-N 3.47Å; N141-W143 VanDerWaalsContact C-N 3.32Å; N141-W143 PolarHBondContact O-N 2.94Å; N141-L144 WeakPolarHBondContact O-CB 3.16Å; N141-L144 PolarHBondContact O-N 3.41Å; N141-L144 VanDerWaalsContact O-N 3.14Å; N141-D145 PolarHBondContact O-N 3.11Å
142	I	91.5	Very high	91.6	Very high	26 Å²	26	31.7 Å²	31.7	13%	0.133	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-41.5	-178.9	-71.8	177.3	0	0	0	111.6	T137 M140 L144 D145 C146 L297 L304	T137-I142 HydrophobicContact CG2-CD1 4.41Å; T137-I142 HydrophobicContact CG2-CG1 4.41Å; T137-I142 VanDerWaalsContact O-CG1 3.32Å; T137-I142 WeakPolarHBondContact O-CG1 3.38Å; T137-I142 PolarHBondContact O-N 2.81Å; M140-I142 PolarHBondContact O-N 3.43Å; I142-L144 VanDerWaalsContact C-N 3.32Å; I142-L144 PolarHBondContact O-N 3.23Å; I142-D145 PolarHBondContact O-N 3.31Å; I142-C146 WeakPolarHBondContact O-CB 3.4Å; I142-C146 PolarHBondContact O-N 2.67Å; I142-C146 PolarHBondContact O-SG 3.01Å; I142-L297 HydrophobicContact CB-CD2 4.21Å; I142-L297 HydrophobicContact CG1-CD2 3.81Å; I142-L297 HydrophobicContact CG2-CD2 4.05Å; I142-L304 HydrophobicContact CD1-CD1 3.31Å; I142-L304 HydrophobicContact CD1-CG 4.15Å
143	W	90.4	Very high	91.6	Very high	148 Å²	148	31.9 Å²	31.9	56%	0.561	16%	0.162	S	C	*	.	H	α-helix	trans	-64.3	-39.3	177.4	-78.2	99.7	0	0	0	111.8	M140 N141 C146 I147	M140-W143 PolarHBondContact O-N 3.3Å; N141-W143 VanDerWaalsContact C-N 3.32Å; N141-W143 PolarHBondContact O-N 2.94Å; W143-C146 PolarHBondContact O-N 3.14Å; W143-I147 WeakPolarHBondContact O-CB 3.44Å; W143-I147 WeakPolarHBondContact O-CD1 3.2Å; W143-I147 WeakPolarHBondContact O-CG1 3.42Å; W143-I147 PolarHBondContact O-N 3.39Å
144	L	89.5	Confident	91.6	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-41.8	175.8	-64.6	174.8	0	0	0	111.9	I24 F27 M140 N141 I142 I147 T148	I24-L144 HydrophobicContact CG1-CD2 3.9Å; F27-L144 HydrophobicContact CD2-CB 3.89Å; F27-L144 HydrophobicContact CD2-CD1 3.89Å; F27-L144 HydrophobicContact CD2-CD2 4.37Å; F27-L144 HydrophobicContact CD2-CG 4.26Å; F27-L144 HydrophobicContact CE2-CB 3.85Å; F27-L144 HydrophobicContact CE2-CD1 3.62Å; F27-L144 HydrophobicContact CE2-CG 4.28Å; F27-L144 HydrophobicContact CZ-CB 4.48Å; M140-L144 WeakPolarHBondContact O-CG 3.45Å; M140-L144 PolarHBondContact O-N 3Å; N141-L144 WeakPolarHBondContact O-CB 3.16Å; N141-L144 PolarHBondContact O-N 3.41Å; N141-L144 VanDerWaalsContact O-N 3.14Å; I142-L144 VanDerWaalsContact C-N 3.32Å; I142-L144 PolarHBondContact O-N 3.23Å; L144-I147 PolarHBondContact O-N 3.18Å; L144-T148 VanDerWaalsContact O-CB 3.29Å; L144-T148 WeakPolarHBondContact O-CB 3.38Å; L144-T148 PolarHBondContact O-N 3Å; L144-T148 PolarHBondContact O-OG1 3.32Å
145	D	92.1	Very high	91.4	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.027	18%	0.183	C	C	.	.	H	α-helix	trans	-65	-43	175.2	-78.8	-28.1	0	0	0	111.2	N141 I142 T148 I149 P293 R296 L297	N141-D145 PolarHBondContact O-N 3.11Å; I142-D145 PolarHBondContact O-N 3.31Å; D145-T148 WeakPolarHBondContact O-CB 3.36Å; D145-T148 PolarHBondContact O-N 3.08Å; D145-I149 VanDerWaalsContact O-CG1 3.29Å; D145-I149 WeakPolarHBondContact O-CG1 3.45Å; D145-I149 PolarHBondContact O-N 3.31Å; D145-P293 HydrophobicContact CB-CB 3.92Å; D145-R296 IonicContact OD1-CZ 3.51Å; D145-R296 IonicContact OD1-NE 3.61Å; D145-R296 PolarHBondContact OD1-NE 3.48Å; D145-R296 IonicContact OD1-NH2 2.74Å; D145-R296 PolarHBondContact OD1-NH2 3.18Å; D145-R296 IonicContact OD2-NE 3.42Å; D145-L297 HydrophobicContact CB-CD2 4.07Å; D145-L297 HydrophobicContact CB-CG 4.29Å
146	C	92.3	Very high	91.3	Very high	46 Å²	46	34.7 Å²	34.7	31%	0.311	18%	0.183	S	C	.	.	H	α-helix	trans	-61.3	-45.8	174.6	-72.1	0	0	0	0	112.4	I142 W143 T148 I149 I150	I142-C146 WeakPolarHBondContact O-CB 3.4Å; I142-C146 PolarHBondContact O-N 2.67Å; I142-C146 PolarHBondContact O-SG 3.01Å; W143-C146 PolarHBondContact O-N 3.14Å; C146-T148 VanDerWaalsContact C-N 3.3Å; C146-T148 PolarHBondContact O-N 3.05Å; C146-I149 PolarHBondContact O-N 3.08Å; C146-I150 VanDerWaalsContact O-CG1 3.26Å; C146-I150 WeakPolarHBondContact O-CG1 3.35Å; C146-I150 PolarHBondContact O-N 2.9Å
147	I	91.1	Very high	91.4	Very high	44 Å²	44	37.2 Å²	37.2	23%	0.226	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-40.4	176.7	-69.7	166	0	0	0	110.3	I24 W143 L144 I150 I151	I24-I147 HydrophobicContact CD1-CD1 3.7Å; I24-I147 HydrophobicContact CG1-CD1 3.81Å; I24-I147 HydrophobicContact CG1-CG2 4.35Å; W143-I147 WeakPolarHBondContact O-CB 3.44Å; W143-I147 WeakPolarHBondContact O-CD1 3.2Å; W143-I147 WeakPolarHBondContact O-CG1 3.42Å; W143-I147 PolarHBondContact O-N 3.39Å; L144-I147 PolarHBondContact O-N 3.18Å; I147-I150 PolarHBondContact O-N 2.98Å; I147-I151 HydrophobicContact CG2-CD1 3.65Å; I147-I151 HydrophobicContact CG2-CG1 4.32Å; I147-I151 VanDerWaalsContact O-CG1 3.29Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.4Å
148	T	90	Very high	91.3	Very high	7 Å²	7	45.2 Å²	45.2	4%	0.043	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-46.4	176.8	-60.6	0	0	0	0	111.3	M31 L144 D145 C146 I151 A152 P293	M31-T148 HydrophobicContact CE-CG2 3.6Å; L144-T148 VanDerWaalsContact O-CB 3.29Å; L144-T148 WeakPolarHBondContact O-CB 3.38Å; L144-T148 PolarHBondContact O-N 3Å; L144-T148 PolarHBondContact O-OG1 3.32Å; D145-T148 WeakPolarHBondContact O-CB 3.36Å; D145-T148 PolarHBondContact O-N 3.08Å; C146-T148 VanDerWaalsContact C-N 3.3Å; C146-T148 PolarHBondContact O-N 3.05Å; T148-I151 PolarHBondContact O-N 3.43Å; T148-A152 WeakPolarHBondContact O-CB 3.18Å; T148-A152 PolarHBondContact O-N 2.7Å; T148-P293 HydrophobicContact CG2-CG 3.84Å
149	I	92.6	Very high	91.1	Very high	15 Å²	15	46.4 Å²	46.4	8%	0.077	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-45.3	175.8	-70.6	163.6	0	0	0	110.7	D145 C146 A152 L153 F171 L290 P293 L294 L297	D145-I149 VanDerWaalsContact O-CG1 3.29Å; D145-I149 WeakPolarHBondContact O-CG1 3.45Å; D145-I149 PolarHBondContact O-N 3.31Å; C146-I149 PolarHBondContact O-N 3.08Å; I149-A152 PolarHBondContact O-N 2.88Å; I149-L153 HydrophobicContact CG2-CD1 3.89Å; I149-L153 HydrophobicContact CG2-CG 4.36Å; I149-L153 WeakPolarHBondContact O-CB 3.47Å; I149-L153 VanDerWaalsContact O-CG 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.43Å; I149-L153 PolarHBondContact O-N 3.21Å; I149-F171 HydrophobicContact CG2-CE1 4.19Å; I149-F171 HydrophobicContact CG2-CZ 4.14Å; I149-L290 HydrophobicContact CG2-CD1 4Å; I149-P293 HydrophobicContact CD1-CB 3.94Å; I149-P293 HydrophobicContact CG1-CB 3.83Å; I149-P293 HydrophobicContact CG1-CG 4.25Å; I149-L294 HydrophobicContact CD1-CD2 3.86Å; I149-L294 HydrophobicContact CD1-CG 4.03Å; I149-L297 HydrophobicContact CD1-CD1 4.15Å
150	I	93.1	Very high	91.2	Very high	103 Å²	103	46.5 Å²	46.5	53%	0.528	23%	0.232	S	C	.	.	H	α-helix	trans	-61.5	-47.7	179.3	-69.5	164.4	0	0	0	110.6	C146 I147 L153 S154	C146-I150 VanDerWaalsContact O-CG1 3.26Å; C146-I150 WeakPolarHBondContact O-CG1 3.35Å; C146-I150 PolarHBondContact O-N 2.9Å; I147-I150 PolarHBondContact O-N 2.98Å; I150-L153 PolarHBondContact O-N 3.3Å; I150-S154 PolarHBondContact O-N 3.26Å; I150-S154 PolarHBondContact O-OG 3.26Å
151	I	90.7	Very high	91.4	Very high	58 Å²	58	50.3 Å²	50.3	30%	0.297	25%	0.254	S	S	.	.	H	α-helix	trans	-63.1	-44.4	178.7	-65.1	165.5	0	0	0	110.7	M31 I147 T148 L153 S154 I155	M31-I151 HydrophobicContact CE-CB 3.91Å; M31-I151 HydrophobicContact CE-CD1 3.99Å; M31-I151 HydrophobicContact CE-CG2 4.02Å; M31-I151 HydrophobicContact SD-CB 3.99Å; M31-I151 HydrophobicContact SD-CD1 4.14Å; M31-I151 HydrophobicContact SD-CG2 3.4Å; M31-I151 WeakPolarHBondContact SD-CG2 3.4Å; I147-I151 HydrophobicContact CG2-CD1 3.65Å; I147-I151 HydrophobicContact CG2-CG1 4.32Å; I147-I151 VanDerWaalsContact O-CG1 3.29Å; I147-I151 WeakPolarHBondContact O-CG1 3.35Å; I147-I151 PolarHBondContact O-N 3.4Å; T148-I151 PolarHBondContact O-N 3.43Å; I151-L153 PolarHBondContact O-N 2.48Å; I151-S154 PolarHBondContact O-N 3.11Å; I151-I155 HydrophobicContact CG2-CD1 3.87Å; I151-I155 HydrophobicContact CG2-CG1 4.48Å; I151-I155 WeakPolarHBondContact O-CG1 3.39Å; I151-I155 PolarHBondContact O-N 3.26Å
152	A	90.9	Very high	91.4	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-47.9	176.8	0	0	0	0	0	111.2	T148 I149 S154 I155 M156 L289	T148-A152 WeakPolarHBondContact O-CB 3.18Å; T148-A152 PolarHBondContact O-N 2.7Å; I149-A152 PolarHBondContact O-N 2.88Å; A152-S154 PolarHBondContact O-N 3.44Å; A152-I155 PolarHBondContact O-N 3.26Å; A152-M156 WeakPolarHBondContact O-CB 3.48Å; A152-M156 WeakPolarHBondContact O-CG 3.47Å; A152-M156 PolarHBondContact O-N 3.31Å; A152-L289 HydrophobicContact CB-CB 4.26Å
153	L	93.9	Very high	91.4	Very high	24 Å²	24	53 Å²	53	13%	0.126	26%	0.263	C	S	.	.	H	α-helix	trans	-60.6	-43.9	176.1	-74.4	174.3	0	0	0	112	I149 I150 I151 I155 M156 F157 T164 F171 L290	I149-L153 HydrophobicContact CG2-CD1 3.89Å; I149-L153 HydrophobicContact CG2-CG 4.36Å; I149-L153 WeakPolarHBondContact O-CB 3.47Å; I149-L153 VanDerWaalsContact O-CG 3.31Å; I149-L153 WeakPolarHBondContact O-CG 3.43Å; I149-L153 PolarHBondContact O-N 3.21Å; I150-L153 PolarHBondContact O-N 3.3Å; I151-L153 PolarHBondContact O-N 2.48Å; L153-I155 VanDerWaalsContact C-N 3.32Å; L153-I155 PolarHBondContact O-N 3.2Å; L153-M156 PolarHBondContact O-N 2.9Å; L153-F157 HydrophobicContact CB-CD2 4.4Å; L153-F157 HydrophobicContact CB-CE2 4.38Å; L153-F157 WeakPolarHBondContact O-CB 3.44Å; L153-F157 WeakPolarHBondContact O-CD2 3.37Å; L153-F157 PolarHBondContact O-N 3.31Å; L153-T164 HydrophobicContact CD2-CG2 4.23Å; L153-F171 HydrophobicContact CD1-CE1 4.3Å; L153-F171 HydrophobicContact CD1-CZ 4.33Å; L153-L290 HydrophobicContact CD1-CD1 4.42Å; L153-L290 HydrophobicContact CD2-CD1 3.7Å; L153-L290 HydrophobicContact CD2-CD2 4.32Å; L153-L290 HydrophobicContact CG-CD1 3.73Å
154	S	92.9	Very high	91.6	Very high	72 Å²	72	46 Å²	46	50%	0.503	24%	0.236	S	C	.	.	H	α-helix	trans	-58.8	-43	177.1	-63	0	0	0	0	112.2	I150 I151 A152 F158	I150-S154 PolarHBondContact O-N 3.26Å; I150-S154 PolarHBondContact O-OG 3.26Å; I151-S154 PolarHBondContact O-N 3.11Å; A152-S154 PolarHBondContact O-N 3.44Å; S154-F158 PolarHBondContact O-N 3.45Å; S154-F158 VanDerWaalsContact O-N 3.13Å
155	I	90.5	Very high	91.8	Very high	40 Å²	40	50.5 Å²	50.5	21%	0.205	26%	0.26	C	S	.	.	H	α-helix	trans	-68.2	-42.1	177.1	-61.4	164.5	0	0	0	110.7	I151 A152 L153 F158 L159 Y286	I151-I155 HydrophobicContact CG2-CD1 3.87Å; I151-I155 HydrophobicContact CG2-CG1 4.48Å; I151-I155 WeakPolarHBondContact O-CG1 3.39Å; I151-I155 PolarHBondContact O-N 3.26Å; A152-I155 PolarHBondContact O-N 3.26Å; L153-I155 VanDerWaalsContact C-N 3.32Å; L153-I155 PolarHBondContact O-N 3.2Å; I155-F158 WeakPolarHBondContact O-CB 3.46Å; I155-F158 PolarHBondContact O-N 2.84Å; I155-L159 HydrophobicContact CG2-CD1 4.22Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 WeakPolarHBondContact O-CG 3.45Å; I155-L159 PolarHBondContact O-N 3.46Å; I155-Y286 HydrophobicContact CB-CE1 4.33Å; I155-Y286 HydrophobicContact CD1-CE1 3.82Å; I155-Y286 HydrophobicContact CG2-CD2 4.33Å; I155-Y286 HydrophobicContact CG2-CE1 4.07Å; I155-Y286 HydrophobicContact CG2-CE2 3.58Å; I155-Y286 VanDerWaalsContact CG2-CZ 3.43Å; I155-Y286 WeakPolarHBondContact CG2-OH 3.3Å
156	M	91.6	Very high	91.8	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-62	-44.2	177.7	-69.6	171.8	74	0	0	111.7	A152 L153 F158 L159 D160 T164 A167 F283 Y286 L287 L290	A152-M156 WeakPolarHBondContact O-CB 3.48Å; A152-M156 WeakPolarHBondContact O-CG 3.47Å; A152-M156 PolarHBondContact O-N 3.31Å; L153-M156 PolarHBondContact O-N 2.9Å; M156-F158 VanDerWaalsContact C-N 3.27Å; M156-F158 PolarHBondContact O-N 2.74Å; M156-L159 PolarHBondContact O-N 3.05Å; M156-L159 VanDerWaalsContact O-N 3.07Å; M156-D160 PolarHBondContact O-N 2.88Å; M156-T164 HydrophobicContact CB-CG2 3.95Å; M156-T164 WeakPolarHBondContact CB-OG1 3.44Å; M156-T164 PolarHBondContact O-OG1 2.9Å; M156-A167 HydrophobicContact CE-CB 3.83Å; M156-F283 HydrophobicContact CB-CE1 3.93Å; M156-F283 HydrophobicContact CB-CZ 4.14Å; M156-F283 HydrophobicContact CE-CD1 3.63Å; M156-F283 HydrophobicContact CE-CE1 3.61Å; M156-F283 HydrophobicContact CG-CD1 4.4Å; M156-F283 HydrophobicContact CG-CE1 4.11Å; M156-F283 WeakPolarHBondContact O-CZ 3.45Å; M156-Y286 HydrophobicContact CG-CG 4.3Å; M156-L287 HydrophobicContact CE-CD2 4.23Å; M156-L290 HydrophobicContact CE-CD2 4.08Å; M156-L290 HydrophobicContact SD-CB 4.48Å; M156-L290 HydrophobicContact SD-CD2 4.02Å
157	F	94.3	Very high	91.8	Very high	82 Å²	82	48.8 Å²	48.8	36%	0.36	25%	0.25	S	C	.	.	H	α-helix	trans	-62	-34.1	175	-83.1	-64.1	0	0	0	112.8	L153 V161 T164	L153-F157 HydrophobicContact CB-CD2 4.4Å; L153-F157 HydrophobicContact CB-CE2 4.38Å; L153-F157 WeakPolarHBondContact O-CB 3.44Å; L153-F157 WeakPolarHBondContact O-CD2 3.37Å; L153-F157 PolarHBondContact O-N 3.31Å; F157-V161 HydrophobicContact CD1-CG1 4.38Å; F157-T164 HydrophobicContact CD1-CG2 3.7Å; F157-T164 HydrophobicContact CD2-CG2 3.75Å; F157-T164 HydrophobicContact CE1-CG2 3.6Å; F157-T164 HydrophobicContact CE2-CG2 3.64Å; F157-T164 HydrophobicContact CG-CG2 3.76Å; F157-T164 HydrophobicContact CZ-CG2 3.57Å; F157-T164 PolarHBondContact N-OG1 2.8Å
158	F	90.5	Very high	91.9	Very high	181 Å²	181	49.5 Å²	49.5	79%	0.794	25%	0.254	S	S	*	.	H	α-helix	trans	-69.7	-32.3	174.1	-177	-97	0	0	0	112.5	S154 I155 M156	S154-F158 PolarHBondContact O-N 3.45Å; S154-F158 VanDerWaalsContact O-N 3.13Å; I155-F158 WeakPolarHBondContact O-CB 3.46Å; I155-F158 PolarHBondContact O-N 2.84Å; M156-F158 VanDerWaalsContact C-N 3.27Å; M156-F158 PolarHBondContact O-N 2.74Å
159	L	87.7	Confident	92.1	Very high	34 Å²	34	55.1 Å²	55.1	18%	0.178	28%	0.278	C	S	.	.	H	α-helix	trans	-78.2	-52.9	178.7	-69.1	174.2	0	0	0	112.5	I155 M156 T279 A282 F283 Y286	I155-L159 HydrophobicContact CG2-CD1 4.22Å; I155-L159 HydrophobicContact CG2-CG 4.43Å; I155-L159 WeakPolarHBondContact O-CG 3.45Å; I155-L159 PolarHBondContact O-N 3.46Å; M156-L159 PolarHBondContact O-N 3.05Å; M156-L159 VanDerWaalsContact O-N 3.07Å; L159-T279 HydrophobicContact CB-CG2 4.44Å; L159-A282 HydrophobicContact CD1-CB 4.16Å; L159-F283 HydrophobicContact CB-CD2 4.22Å; L159-F283 HydrophobicContact CB-CE2 3.43Å; L159-F283 VanDerWaalsContact CB-CE2 3.43Å; L159-F283 HydrophobicContact CB-CZ 4.13Å; L159-F283 HydrophobicContact CD1-CD2 4.19Å; L159-F283 HydrophobicContact CD1-CE2 4.15Å; L159-F283 HydrophobicContact CG-CE2 4.45Å; L159-Y286 HydrophobicContact CD1-CD2 4.05Å; L159-Y286 HydrophobicContact CD1-CE2 3.92Å
160	D	90	Very high	92.2	Very high	33 Å²	33	54.8 Å²	54.8	18%	0.176	28%	0.276	C	S	.	.			trans	-159	125.9	174.3	-175.3	-94.4	0	0	0	112.1	M156 K162 L163 T164 I275 F283	M156-D160 PolarHBondContact O-N 2.88Å; D160-K162 WeakPolarHBondContact OD1-CA 3.49Å; D160-K162 WeakPolarHBondContact OD1-CB 3.38Å; D160-K162 PolarHBondContact OD1-N 2.71Å; D160-L163 HydrophobicContact CB-CB 4.21Å; D160-L163 WeakPolarHBondContact OD1-CB 3.45Å; D160-L163 PolarHBondContact OD1-N 3.37Å; D160-T164 WeakPolarHBondContact O-CB 3.36Å; D160-T164 PolarHBondContact O-N 3.3Å; D160-T164 PolarHBondContact O-OG1 3.48Å; D160-I275 HydrophobicContact CB-CG2 4.31Å; D160-F283 HydrophobicContact CB-CE2 3.93Å; D160-F283 HydrophobicContact CB-CZ 3.97Å
161	V	92.8	Very high	92.2	Very high	81 Å²	81	51.3 Å²	51.3	49%	0.491	26%	0.257	S	S	.	.	H	α-helix	trans	-71.2	-39.7	-177.1	179.9	0	0	0	0	111.9	F157 T164 L165	F157-V161 HydrophobicContact CD1-CG1 4.38Å; V161-T164 PolarHBondContact O-N 3.33Å; V161-L165 HydrophobicContact CG1-CD1 4.26Å; V161-L165 WeakPolarHBondContact O-CG 3.46Å; V161-L165 PolarHBondContact O-N 2.98Å
162	K	91.7	Very high	92.4	Very high	137 Å²	137	52.5 Å²	52.5	60%	0.596	27%	0.268	S	S	*	.	H	α-helix	trans	-68.5	-43.8	-174.5	-65.7	178.5	-178.5	175	0	111.2	D160 T164 L165 A166 L269	D160-K162 WeakPolarHBondContact OD1-CA 3.49Å; D160-K162 WeakPolarHBondContact OD1-CB 3.38Å; D160-K162 PolarHBondContact OD1-N 2.71Å; K162-T164 VanDerWaalsContact C-N 3.33Å; K162-L165 PolarHBondContact O-N 2.99Å; K162-A166 PolarHBondContact O-N 3.05Å; K162-A166 VanDerWaalsContact O-N 3.14Å; K162-L269 HydrophobicContact CB-CD1 4.24Å
163	L	91.2	Very high	92.6	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-68.7	-34.1	178	-166.9	58.6	0	0	0	111.6	D160 A166 A167 V262 V265 L269 I275 F283	D160-L163 HydrophobicContact CB-CB 4.21Å; D160-L163 WeakPolarHBondContact OD1-CB 3.45Å; D160-L163 PolarHBondContact OD1-N 3.37Å; L163-A166 WeakPolarHBondContact O-CB 3.29Å; L163-A166 PolarHBondContact O-N 3.27Å; L163-A167 PolarHBondContact O-N 3.05Å; L163-A167 VanDerWaalsContact O-N 3.08Å; L163-V262 HydrophobicContact CD1-CG1 3.8Å; L163-V262 WeakPolarHBondContact CD1-O 3.43Å; L163-V262 HydrophobicContact CG-CG1 4.03Å; L163-V265 HydrophobicContact CD1-CB 4.29Å; L163-V265 HydrophobicContact CD1-CG1 4.15Å; L163-L269 HydrophobicContact CB-CD1 4.32Å; L163-L269 HydrophobicContact CD1-CD1 4.48Å; L163-I275 HydrophobicContact CD2-CD1 4.04Å; L163-F283 HydrophobicContact CB-CD1 4.3Å; L163-F283 HydrophobicContact CB-CE1 3.79Å; L163-F283 HydrophobicContact CB-CE2 4.5Å; L163-F283 HydrophobicContact CB-CZ 3.9Å; L163-F283 HydrophobicContact CD2-CB 3.95Å; L163-F283 HydrophobicContact CD2-CD1 3.46Å; L163-F283 VanDerWaalsContact CD2-CD1 3.46Å; L163-F283 HydrophobicContact CD2-CD2 3.68Å; L163-F283 HydrophobicContact CD2-CE1 3.77Å; L163-F283 HydrophobicContact CD2-CE2 3.93Å; L163-F283 HydrophobicContact CD2-CG 3.41Å; L163-F283 VanDerWaalsContact CD2-CG 3.41Å; L163-F283 HydrophobicContact CD2-CZ 3.99Å; L163-F283 HydrophobicContact CG-CD1 3.64Å; L163-F283 HydrophobicContact CG-CE1 3.64Å; L163-F283 HydrophobicContact CG-CG 4.14Å; L163-F283 HydrophobicContact CG-CZ 4.13Å
164	T	93.8	Very high	92.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.4	-40.6	173.9	-55	0	0	0	0	112.2	L153 M156 F157 D160 V161 K162 A166 A167 L168	L153-T164 HydrophobicContact CD2-CG2 4.23Å; M156-T164 HydrophobicContact CB-CG2 3.95Å; M156-T164 WeakPolarHBondContact CB-OG1 3.44Å; M156-T164 PolarHBondContact O-OG1 2.9Å; F157-T164 HydrophobicContact CD1-CG2 3.7Å; F157-T164 HydrophobicContact CD2-CG2 3.75Å; F157-T164 HydrophobicContact CE1-CG2 3.6Å; F157-T164 HydrophobicContact CE2-CG2 3.64Å; F157-T164 HydrophobicContact CG-CG2 3.76Å; F157-T164 HydrophobicContact CZ-CG2 3.57Å; F157-T164 PolarHBondContact N-OG1 2.8Å; D160-T164 WeakPolarHBondContact O-CB 3.36Å; D160-T164 PolarHBondContact O-N 3.3Å; D160-T164 PolarHBondContact O-OG1 3.48Å; V161-T164 PolarHBondContact O-N 3.33Å; K162-T164 VanDerWaalsContact C-N 3.33Å; T164-A166 VanDerWaalsContact C-N 3.28Å; T164-A166 PolarHBondContact O-N 2.87Å; T164-A167 WeakPolarHBondContact O-CB 3.42Å; T164-A167 PolarHBondContact O-N 3.42Å; T164-A167 VanDerWaalsContact O-N 3.14Å; T164-L168 PolarHBondContact O-N 2.83Å
165	L	94	Very high	92.7	Very high	98 Å²	98	58.3 Å²	58.3	51%	0.513	29%	0.287	S	S	.	.	H	α-helix	trans	-61.8	-36.9	173.4	-71.4	172.8	0	0	0	111.9	V161 K162 A167 L168 F169	V161-L165 HydrophobicContact CG1-CD1 4.26Å; V161-L165 WeakPolarHBondContact O-CG 3.46Å; V161-L165 PolarHBondContact O-N 2.98Å; K162-L165 PolarHBondContact O-N 2.99Å; L165-A167 VanDerWaalsContact C-N 3.35Å; L165-L168 PolarHBondContact O-N 2.99Å; L165-F169 PolarHBondContact O-N 2.92Å
166	A	92.3	Very high	92.9	Very high	15 Å²	15	61.5 Å²	61.5	12%	0.124	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-39.7	173.2	0	0	0	0	0	112.2	K162 L163 T164 F169 I261 V265	K162-A166 PolarHBondContact O-N 3.05Å; K162-A166 VanDerWaalsContact O-N 3.14Å; L163-A166 WeakPolarHBondContact O-CB 3.29Å; L163-A166 PolarHBondContact O-N 3.27Å; T164-A166 VanDerWaalsContact C-N 3.28Å; T164-A166 PolarHBondContact O-N 2.87Å; A166-F169 WeakPolarHBondContact O-CB 3.39Å; A166-F169 PolarHBondContact O-N 2.83Å; A166-I261 HydrophobicContact CB-CG2 4.41Å; A166-V265 HydrophobicContact CB-CB 4.16Å; A166-V265 HydrophobicContact CB-CG1 4.04Å; A166-V265 HydrophobicContact CB-CG2 4.13Å
167	A	92.5	Very high	93	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-65.7	-38.6	174.1	0	0	0	0	0	112.4	M156 L163 T164 L165 F169 V262 L290	M156-A167 HydrophobicContact CE-CB 3.83Å; L163-A167 PolarHBondContact O-N 3.05Å; L163-A167 VanDerWaalsContact O-N 3.08Å; T164-A167 WeakPolarHBondContact O-CB 3.42Å; T164-A167 PolarHBondContact O-N 3.42Å; T164-A167 VanDerWaalsContact O-N 3.14Å; L165-A167 VanDerWaalsContact C-N 3.35Å; A167-F169 PolarHBondContact O-N 3.32Å; A167-V262 VanDerWaalsContact CA-CG2 3.47Å; A167-V262 HydrophobicContact CB-CG2 3.53Å; A167-L290 HydrophobicContact CB-CD2 4.01Å
168	L	93.7	Very high	92.9	Very high	59 Å²	59	59.6 Å²	59.6	31%	0.309	30%	0.299	S	S	.	.	H	α-helix	trans	-70.2	-20	-178.9	-166.9	66.7	0	0	0	113	T164 L165 I170 F171 P172	T164-L168 PolarHBondContact O-N 2.83Å; L165-L168 PolarHBondContact O-N 2.99Å; L168-I170 PolarHBondContact O-N 3.05Å; L168-F171 HydrophobicContact CD1-CB 4.03Å; L168-F171 HydrophobicContact CD1-CD1 3.72Å; L168-F171 HydrophobicContact CD1-CD2 3.9Å; L168-F171 HydrophobicContact CD1-CE1 4.12Å; L168-F171 HydrophobicContact CD1-CE2 4.29Å; L168-F171 HydrophobicContact CD1-CG 3.62Å; L168-F171 HydrophobicContact CD1-CZ 4.39Å; L168-F171 WeakPolarHBondContact O-CB 3.45Å; L168-F171 PolarHBondContact O-N 2.96Å; L168-P172 WeakPolarHBondContact O-CD 3.24Å
169	F	94	Very high	93	Very high	124 Å²	124	59.8 Å²	59.8	54%	0.544	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-30.9	179.2	-179	-102.3	0	0	0	113.7	L165 A166 A167 P172 F173 I261	L165-F169 PolarHBondContact O-N 2.92Å; A166-F169 WeakPolarHBondContact O-CB 3.39Å; A166-F169 PolarHBondContact O-N 2.83Å; A167-F169 PolarHBondContact O-N 3.32Å; F169-P172 WeakPolarHBondContact O-CD 3.34Å; F169-F173 HydrophobicContact CD1-CE2 4.33Å; F169-F173 AromaticContact CE1-CE2 3.83Å; F169-F173 HydrophobicContact CE1-CE2 3.83Å; F169-F173 HydrophobicContact CE1-CZ 4.5Å; F169-F173 HydrophobicContact CE2-CE2 4.41Å; F169-F173 AromaticContact CZ-CE2 3.88Å; F169-F173 HydrophobicContact CZ-CE2 3.88Å; F169-F173 HydrophobicContact CZ-CZ 4.28Å; F169-F173 WeakPolarHBondContact O-CD2 3.37Å; F169-I261 HydrophobicContact CD1-CD1 3.89Å; F169-I261 HydrophobicContact CE1-CD1 4.35Å
170	I	93.4	Very high	93.3	Very high	8 Å²	8	62.2 Å²	62.2	4%	0.041	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-20.4	179.4	-71.4	-55	0	0	0	113.7	L168 F173 Y174 V254 I257 I261 F291	L168-I170 PolarHBondContact O-N 3.05Å; I170-F173 PolarHBondContact O-N 3.41Å; I170-Y174 PolarHBondContact O-N 3.05Å; I170-V254 HydrophobicContact CG2-CG1 3.67Å; I170-V254 VanDerWaalsContact CG2-O 3.24Å; I170-V254 WeakPolarHBondContact CG2-O 3.46Å; I170-I257 HydrophobicContact CD1-CB 4.32Å; I170-I257 HydrophobicContact CD1-CG2 3.94Å; I170-I261 HydrophobicContact CD1-CD1 3.84Å; I170-I261 HydrophobicContact CG1-CD1 4.15Å; I170-F291 HydrophobicContact CB-CE1 4.42Å; I170-F291 HydrophobicContact CG2-CE1 4.18Å
171	F	93.7	Very high	93.4	Very high	31 Å²	31	62 Å²	62	14%	0.136	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-44.9	-173.1	-85.4	-129.9	0	0	0	114	I149 L153 L168 F173 Y174 I175 L290 L294	I149-F171 HydrophobicContact CG2-CE1 4.19Å; I149-F171 HydrophobicContact CG2-CZ 4.14Å; L153-F171 HydrophobicContact CD1-CE1 4.3Å; L153-F171 HydrophobicContact CD1-CZ 4.33Å; L168-F171 HydrophobicContact CD1-CB 4.03Å; L168-F171 HydrophobicContact CD1-CD1 3.72Å; L168-F171 HydrophobicContact CD1-CD2 3.9Å; L168-F171 HydrophobicContact CD1-CE1 4.12Å; L168-F171 HydrophobicContact CD1-CE2 4.29Å; L168-F171 HydrophobicContact CD1-CG 3.62Å; L168-F171 HydrophobicContact CD1-CZ 4.39Å; L168-F171 WeakPolarHBondContact O-CB 3.45Å; L168-F171 PolarHBondContact O-N 2.96Å; F171-F173 VanDerWaalsContact C-N 3.29Å; F171-F173 PolarHBondContact O-N 3.48Å; F171-Y174 WeakPolarHBondContact O-CB 3.2Å; F171-Y174 PolarHBondContact O-N 3.47Å; F171-I175 WeakPolarHBondContact O-CG1 3.48Å; F171-I175 PolarHBondContact O-N 2.92Å; F171-L290 HydrophobicContact CE2-CD1 4.26Å; F171-L290 HydrophobicContact CE2-CD2 4.28Å; F171-L290 HydrophobicContact CE2-CG 4.31Å; F171-L290 HydrophobicContact CZ-CD1 3.82Å; F171-L290 HydrophobicContact CZ-CG 4.32Å; F171-L294 HydrophobicContact CD2-CD1 4.42Å; F171-L294 HydrophobicContact CE2-CD1 3.72Å; F171-L294 HydrophobicContact CZ-CD1 3.85Å
172	P	95.2	Very high	93.3	Very high	82 Å²	82	61 Å²	61	53%	0.532	30%	0.299	S	S	.	.	H	α-helix	trans	-57.7	-41.4	175.9	-26.2	35.4	0	0	0	112.8	L168 F169 I175 L176	L168-P172 WeakPolarHBondContact O-CD 3.24Å; F169-P172 WeakPolarHBondContact O-CD 3.34Å; P172-I175 PolarHBondContact O-N 3.48Å; P172-L176 VanDerWaalsContact O-CB 3.31Å; P172-L176 WeakPolarHBondContact O-CB 3.32Å; P172-L176 PolarHBondContact O-N 3.01Å
173	F	95.2	Very high	93.2	Very high	100 Å²	100	56.9 Å²	56.9	44%	0.439	30%	0.295	S	S	.	.	H	α-helix	trans	-67.3	-39.8	177.4	-60.9	-81.6	0	0	0	111.8	F169 I170 F171 T177 V254	F169-F173 HydrophobicContact CD1-CE2 4.33Å; F169-F173 AromaticContact CE1-CE2 3.83Å; F169-F173 HydrophobicContact CE1-CE2 3.83Å; F169-F173 HydrophobicContact CE1-CZ 4.5Å; F169-F173 HydrophobicContact CE2-CE2 4.41Å; F169-F173 AromaticContact CZ-CE2 3.88Å; F169-F173 HydrophobicContact CZ-CE2 3.88Å; F169-F173 HydrophobicContact CZ-CZ 4.28Å; F169-F173 WeakPolarHBondContact O-CD2 3.37Å; I170-F173 PolarHBondContact O-N 3.41Å; F171-F173 VanDerWaalsContact C-N 3.29Å; F171-F173 PolarHBondContact O-N 3.48Å; F173-T177 WeakPolarHBondContact O-CB 3.33Å; F173-T177 PolarHBondContact O-N 3.05Å; F173-T177 PolarHBondContact O-OG1 3.43Å; F173-V254 HydrophobicContact CB-CG1 4.04Å
174	Y	94.1	Very high	93.4	Very high	13 Å²	13	61.6 Å²	61.6	5%	0.051	31%	0.313	C	S	.	.	H	α-helix	trans	-60.8	-50.6	174.3	171.5	-90.7	0	0	0	111.4	I170 F171 L176 T177 V178 I251 T255 L294 L297	I170-Y174 PolarHBondContact O-N 3.05Å; F171-Y174 WeakPolarHBondContact O-CB 3.2Å; F171-Y174 PolarHBondContact O-N 3.47Å; Y174-L176 PolarHBondContact O-N 3.37Å; Y174-T177 PolarHBondContact O-N 3.38Å; Y174-V178 HydrophobicContact CD1-CG2 4.44Å; Y174-V178 HydrophobicContact CE1-CG2 3.98Å; Y174-V178 HydrophobicContact CE2-CG2 4.23Å; Y174-V178 WeakPolarHBondContact O-CG2 3.42Å; Y174-V178 PolarHBondContact O-N 3.41Å; Y174-I251 HydrophobicContact CD2-CG2 3.62Å; Y174-I251 HydrophobicContact CE2-CG2 3.43Å; Y174-I251 VanDerWaalsContact CE2-CG2 3.43Å; Y174-T255 HydrophobicContact CD2-CG2 3.97Å; Y174-T255 HydrophobicContact CE2-CG2 4.31Å; Y174-L294 HydrophobicContact CD1-CD2 3.94Å; Y174-L294 HydrophobicContact CD2-CB 4.48Å; Y174-L294 HydrophobicContact CD2-CD2 4.44Å; Y174-L294 HydrophobicContact CE1-CD2 3.61Å; Y174-L294 HydrophobicContact CE2-CB 4.02Å; Y174-L294 HydrophobicContact CE2-CD2 4.13Å; Y174-L294 WeakPolarHBondContact CE2-O 3.32Å; Y174-L294 HydrophobicContact CG-CD2 4.36Å; Y174-L294 PolarHBondContact OH-O 2.9Å; Y174-L294 VanDerWaalsContact OH-O 3.1Å; Y174-L297 WeakPolarHBondContact OH-CB 3.3Å
175	I	93.9	Very high	93.4	Very high	107 Å²	107	61.7 Å²	61.7	55%	0.549	31%	0.314	S	S	.	.	H	α-helix	trans	-61.3	-45.1	-179.8	-67.7	168.4	0	0	0	110.7	F171 P172 T177 V178 Y179	F171-I175 WeakPolarHBondContact O-CG1 3.48Å; F171-I175 PolarHBondContact O-N 2.92Å; P172-I175 PolarHBondContact O-N 3.48Å; I175-T177 VanDerWaalsContact C-N 3.33Å; I175-T177 PolarHBondContact O-N 3.43Å; I175-V178 PolarHBondContact O-N 2.96Å; I175-Y179 WeakPolarHBondContact O-CB 3.39Å; I175-Y179 PolarHBondContact O-N 3.29Å
176	L	95.2	Very high	93.3	Very high	106 Å²	106	61.1 Å²	61.1	56%	0.555	31%	0.305	S	S	*	.	H	α-helix	trans	-59.4	-45.4	176.9	-179.7	63.7	0	0	0	111.4	P172 Y174 Y179 V180	P172-L176 VanDerWaalsContact O-CB 3.31Å; P172-L176 WeakPolarHBondContact O-CB 3.32Å; P172-L176 PolarHBondContact O-N 3.01Å; Y174-L176 PolarHBondContact O-N 3.37Å; L176-Y179 PolarHBondContact O-N 2.93Å; L176-V180 HydrophobicContact CD1-CG2 4.34Å; L176-V180 VanDerWaalsContact O-CG2 3.3Å; L176-V180 WeakPolarHBondContact O-CG2 3.15Å; L176-V180 PolarHBondContact O-N 3.03Å
177	T	94	Very high	93.4	Very high	23 Å²	23	66 Å²	66	14%	0.141	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-50.3	178.7	-56.5	0	0	0	0	110.6	F173 Y174 I175 Y179 V180 F181 A250 I251	F173-T177 WeakPolarHBondContact O-CB 3.33Å; F173-T177 PolarHBondContact O-N 3.05Å; F173-T177 PolarHBondContact O-OG1 3.43Å; Y174-T177 PolarHBondContact O-N 3.38Å; I175-T177 VanDerWaalsContact C-N 3.33Å; I175-T177 PolarHBondContact O-N 3.43Å; T177-Y179 VanDerWaalsContact C-N 3.33Å; T177-Y179 PolarHBondContact O-N 3.14Å; T177-V180 PolarHBondContact O-N 2.77Å; T177-F181 HydrophobicContact CG2-CD2 3.89Å; T177-F181 HydrophobicContact CG2-CE2 3.87Å; T177-F181 VanDerWaalsContact O-CD2 3.23Å; T177-F181 WeakPolarHBondContact O-CD2 3.36Å; T177-F181 PolarHBondContact O-N 3.07Å; T177-A250 HydrophobicContact CG2-CB 3.72Å; T177-I251 HydrophobicContact CG2-CD1 4.32Å; T177-I251 HydrophobicContact CG2-CG1 3.43Å; T177-I251 VanDerWaalsContact CG2-CG1 3.43Å
178	V	91.9	Very high	93.6	Very high	19 Å²	19	66.1 Å²	66.1	12%	0.115	32%	0.324	C	S	.	.	H	α-helix	trans	-57	-47	177.1	171.3	0	0	0	0	111.3	Y174 I175 V180 F181 F182 I251 F301	Y174-V178 HydrophobicContact CD1-CG2 4.44Å; Y174-V178 HydrophobicContact CE1-CG2 3.98Å; Y174-V178 HydrophobicContact CE2-CG2 4.23Å; Y174-V178 WeakPolarHBondContact O-CG2 3.42Å; Y174-V178 PolarHBondContact O-N 3.41Å; I175-V178 PolarHBondContact O-N 2.96Å; V178-V180 PolarHBondContact O-N 3.29Å; V178-F181 PolarHBondContact O-N 2.96Å; V178-F182 WeakPolarHBondContact O-CB 3.47Å; V178-F182 PolarHBondContact O-N 3.4Å; V178-I251 HydrophobicContact CG2-CD1 3.85Å; V178-F301 HydrophobicContact CB-CE2 4.34Å; V178-F301 HydrophobicContact CG1-CD1 4.36Å; V178-F301 HydrophobicContact CG1-CD2 3.76Å; V178-F301 HydrophobicContact CG1-CE1 4.18Å; V178-F301 HydrophobicContact CG1-CE2 3.56Å; V178-F301 HydrophobicContact CG1-CG 4.19Å; V178-F301 HydrophobicContact CG1-CZ 3.8Å; V178-F301 HydrophobicContact CG2-CD2 4.09Å; V178-F301 HydrophobicContact CG2-CE2 3.76Å
179	Y	92.3	Very high	93.7	Very high	186 Å²	186	63.3 Å²	63.3	73%	0.729	31%	0.309	S	S	*	.	H	α-helix	trans	-59.8	-43.9	-178.5	179.4	-98.7	0	0	0	112.6	I175 L176 T177 F181	I175-Y179 WeakPolarHBondContact O-CB 3.39Å; I175-Y179 PolarHBondContact O-N 3.29Å; L176-Y179 PolarHBondContact O-N 2.93Å; T177-Y179 VanDerWaalsContact C-N 3.33Å; T177-Y179 PolarHBondContact O-N 3.14Å; Y179-F181 PolarHBondContact O-N 2.84Å
180	V	93.7	Very high	93.7	Very high	85 Å²	85	63.2 Å²	63.2	52%	0.515	31%	0.305	S	S	.	.	H	α-helix	trans	-63.3	-41.9	-179.9	169.7	0	0	0	0	111.9	L176 T177 V178	L176-V180 HydrophobicContact CD1-CG2 4.34Å; L176-V180 VanDerWaalsContact O-CG2 3.3Å; L176-V180 WeakPolarHBondContact O-CG2 3.15Å; L176-V180 PolarHBondContact O-N 3.03Å; T177-V180 PolarHBondContact O-N 2.77Å; V178-V180 PolarHBondContact O-N 3.29Å
181	F	93.5	Very high	93.9	Very high	27 Å²	27	65 Å²	65	12%	0.118	31%	0.313	C	S	.	.	H	α-helix	trans	-81.4	-32	-176.1	-75.7	-73.3	0	0	0	113.9	T177 V178 Y179 G183 R184 L185 W243 A250	T177-F181 HydrophobicContact CG2-CD2 3.89Å; T177-F181 HydrophobicContact CG2-CE2 3.87Å; T177-F181 VanDerWaalsContact O-CD2 3.23Å; T177-F181 WeakPolarHBondContact O-CD2 3.36Å; T177-F181 PolarHBondContact O-N 3.07Å; V178-F181 PolarHBondContact O-N 2.96Å; Y179-F181 PolarHBondContact O-N 2.84Å; F181-G183 PolarHBondContact O-N 2.74Å; F181-R184 PolarHBondContact O-N 3.34Å; F181-L185 HydrophobicContact CB-CD1 4.29Å; F181-L185 WeakPolarHBondContact O-CG 3.45Å; F181-L185 PolarHBondContact O-N 3.41Å; F181-W243 AromaticContact CD1-CE3 3.7Å; F181-W243 HydrophobicContact CD1-CE3 3.7Å; F181-W243 AromaticContact CD1-CZ3 3.92Å; F181-W243 HydrophobicContact CD1-CZ3 3.92Å; F181-W243 AromaticContact CE1-CE3 3.74Å; F181-W243 HydrophobicContact CE1-CE3 3.74Å; F181-W243 AromaticContact CE1-CZ3 3.78Å; F181-W243 HydrophobicContact CE1-CZ3 3.78Å; F181-A250 HydrophobicContact CE2-CB 3.85Å; F181-A250 HydrophobicContact CZ-CB 4.33Å
182	F	90.1	Very high	94	Very high	61 Å²	61	66 Å²	66	27%	0.268	32%	0.316	S	S	.	.	H	α-helix	trans	-57	-51.9	-169.1	-174.3	-93	0	0	0	114	V178 R184 L185 R186 F301 T305 F308	V178-F182 WeakPolarHBondContact O-CB 3.47Å; V178-F182 PolarHBondContact O-N 3.4Å; F182-R184 VanDerWaalsContact C-N 3.33Å; F182-R184 PolarHBondContact O-N 2.99Å; F182-L185 PolarHBondContact O-N 3.44Å; F182-R186 PolarHBondContact O-N 2.79Å; F182-F301 HydrophobicContact CD2-CD1 4.4Å; F182-F301 HydrophobicContact CE2-CD1 4.41Å; F182-T305 HydrophobicContact CD2-CG2 3.81Å; F182-T305 HydrophobicContact CE2-CG2 3.66Å; F182-T305 HydrophobicContact CG-CG2 4.41Å; F182-T305 HydrophobicContact CZ-CG2 4.14Å; F182-F308 HydrophobicContact CZ-CD2 4.17Å; F182-F308 HydrophobicContact CZ-CE2 4.15Å
183	G	90	Very high	94	Very high	50 Å²	50	62.4 Å²	62.4	52%	0.515	29%	0.293	S	S	.	.	H	α-helix	trans	-63.8	-38.4	-176.6	0	0	0	0	0	112.9	F181 K187	F181-G183 PolarHBondContact O-N 2.74Å; G183-K187 PolarHBondContact O-N 3.29Å
184	R	94.3	Very high	94	Very high	99 Å²	99	60.2 Å²	60.2	37%	0.374	28%	0.284	S	S	.	.	H	α-helix	trans	-70.4	-44.4	178.7	-170.7	62.4	169.2	-165.8	-3	111.4	F181 F182 K187 L188 W243	F181-R184 PolarHBondContact O-N 3.34Å; F182-R184 VanDerWaalsContact C-N 3.33Å; F182-R184 PolarHBondContact O-N 2.99Å; R184-K187 PolarHBondContact O-N 3.44Å; R184-L188 HydrophobicContact CG-CD1 4.08Å; R184-L188 VanDerWaalsContact O-CG 3.29Å; R184-L188 WeakPolarHBondContact O-CG 3.49Å; R184-L188 PolarHBondContact O-N 3.17Å; R184-W243 HydrophobicContact CB-CE3 4.35Å; R184-W243 HydrophobicContact CB-CZ3 4.44Å; R184-W243 HydrophobicContact CG-CD2 3.76Å; R184-W243 HydrophobicContact CG-CE3 3.87Å; R184-W243 HydrophobicContact CG-CG 4.34Å; R184-W243 HydrophobicContact CG-CH2 4.15Å; R184-W243 HydrophobicContact CG-CZ2 4.04Å; R184-W243 HydrophobicContact CG-CZ3 4.07Å
185	L	94	Very high	94.1	Very high	3 Å²	3	59.8 Å²	59.8	2%	0.016	28%	0.283	C	S	.	.	H	α-helix	trans	-58.4	-49.8	175.9	-77.1	173.9	0	0	0	111	F181 F182 K187 L188 T189 W243 N244 T305	F181-L185 HydrophobicContact CB-CD1 4.29Å; F181-L185 WeakPolarHBondContact O-CG 3.45Å; F181-L185 PolarHBondContact O-N 3.41Å; F182-L185 PolarHBondContact O-N 3.44Å; L185-K187 VanDerWaalsContact C-N 3.31Å; L185-K187 PolarHBondContact O-N 2.9Å; L185-L188 PolarHBondContact O-N 3.06Å; L185-L188 VanDerWaalsContact O-N 3.12Å; L185-T189 WeakPolarHBondContact O-CB 3.4Å; L185-T189 PolarHBondContact O-N 3.37Å; L185-T189 PolarHBondContact O-OG1 3.33Å; L185-W243 HydrophobicContact CD2-CB 3.89Å; L185-N244 HydrophobicContact CD2-CB 4.19Å; L185-T305 HydrophobicContact CB-CG2 4.17Å
186	R	92.4	Very high	94.2	Very high	86 Å²	86	57.5 Å²	57.5	33%	0.325	27%	0.272	S	S	.	.	H	α-helix	trans	-53.6	-45.3	177.4	-174.1	178.4	174.2	-171.3	-2.1	113.1	F182 T189 R190 T305 D312	F182-R186 PolarHBondContact O-N 2.79Å; R186-T189 PolarHBondContact O-N 3.27Å; R186-R190 PolarHBondContact O-N 3Å; R186-R190 VanDerWaalsContact O-N 3.11Å; R186-T305 HydrophobicContact CB-CG2 4.11Å; R186-D312 IonicContact CZ-OD2 3.17Å; R186-D312 IonicContact NE-OD2 3.41Å; R186-D312 IonicContact NH2-OD1 3.7Å; R186-D312 PolarHBondContact NH2-OD1 3.45Å; R186-D312 IonicContact NH2-OD2 3.74Å; R186-D312 PolarHBondContact NH2-OD2 3.22Å
187	K	95.1	Very high	94.1	Very high	118 Å²	118	52.5 Å²	52.5	51%	0.513	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-49.1	177.5	-178.3	176.8	177.9	172.9	0	111.7	G183 R184 L185 T189 R190 E191	G183-K187 PolarHBondContact O-N 3.29Å; R184-K187 PolarHBondContact O-N 3.44Å; L185-K187 VanDerWaalsContact C-N 3.31Å; L185-K187 PolarHBondContact O-N 2.9Å; K187-T189 VanDerWaalsContact C-N 3.27Å; K187-T189 PolarHBondContact O-N 3.39Å; K187-R190 PolarHBondContact O-N 2.99Å; K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 WeakPolarHBondContact O-CG 3.38Å; K187-E191 PolarHBondContact O-N 3.45Å
188	L	96.6	Very high	94.2	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-35.5	-179.2	-66.6	174.9	0	0	0	112.1	R184 L185 E191 R192 K239 H240 W243	R184-L188 HydrophobicContact CG-CD1 4.08Å; R184-L188 VanDerWaalsContact O-CG 3.29Å; R184-L188 WeakPolarHBondContact O-CG 3.49Å; R184-L188 PolarHBondContact O-N 3.17Å; L185-L188 PolarHBondContact O-N 3.06Å; L185-L188 VanDerWaalsContact O-N 3.12Å; L188-E191 PolarHBondContact O-N 3.22Å; L188-R192 WeakPolarHBondContact O-CB 2.91Å; L188-R192 PolarHBondContact O-N 3.07Å; L188-K239 HydrophobicContact CD1-CG 4.41Å; L188-K239 HydrophobicContact CD2-CD 3.6Å; L188-K239 HydrophobicContact CD2-CG 3.81Å; L188-H240 HydrophobicContact CB-CB 4.24Å; L188-W243 HydrophobicContact CD1-CB 3.72Å; L188-W243 HydrophobicContact CD1-CD2 4.37Å; L188-W243 HydrophobicContact CD1-CG 3.5Å
189	T	94.9	Very high	94.4	Very high	0 Å²	0	54 Å²	54	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-65.3	-43.4	175.9	-56.8	0	0	0	0	112	L185 R186 K187 E191 R192 S193 H240 Q306 A309	L185-T189 WeakPolarHBondContact O-CB 3.4Å; L185-T189 PolarHBondContact O-N 3.37Å; L185-T189 PolarHBondContact O-OG1 3.33Å; R186-T189 PolarHBondContact O-N 3.27Å; K187-T189 VanDerWaalsContact C-N 3.27Å; K187-T189 PolarHBondContact O-N 3.39Å; T189-E191 PolarHBondContact O-N 2.91Å; T189-R192 PolarHBondContact O-N 3.3Å; T189-S193 PolarHBondContact O-N 3.04Å; T189-S193 PolarHBondContact O-OG 2.96Å; T189-H240 PolarHBondContact OG1-CD2 3.46Å; T189-H240 PolarHBondContact OG1-NE2 3.43Å; T189-Q306 HydrophobicContact CG2-CB 4.07Å; T189-Q306 VanDerWaalsContact CG2-CD 3.49Å; T189-Q306 HydrophobicContact CG2-CG 4.41Å; T189-A309 HydrophobicContact CG2-CB 4.05Å
190	R	93.9	Very high	94.5	Very high	122 Å²	122	47.8 Å²	47.8	46%	0.46	23%	0.228	S	C	.	.	H	α-helix	trans	-61.4	-43.9	174.3	-173.7	179.5	175.3	-164.7	-0.3	112.1	R186 K187 R192 S193 Q194 A309	R186-R190 PolarHBondContact O-N 3Å; R186-R190 VanDerWaalsContact O-N 3.11Å; K187-R190 PolarHBondContact O-N 2.99Å; R190-R192 VanDerWaalsContact C-N 3.32Å; R190-R192 PolarHBondContact O-N 2.9Å; R190-S193 PolarHBondContact O-N 3.48Å; R190-Q194 WeakPolarHBondContact O-CB 3.48Å; R190-Q194 PolarHBondContact O-N 3.43Å; R190-A309 HydrophobicContact CB-CB 3.94Å
191	E	97.2	Very high	94.6	Very high	45 Å²	45	43.8 Å²	43.8	21%	0.21	20%	0.204	C	C	.	.	H	α-helix	trans	-60.3	-41.8	175.4	-69.6	176.1	-165.1	0	0	111.5	K187 L188 T189 Q194 A195 R236	K187-E191 WeakPolarHBondContact CE-OE1 3.44Å; K187-E191 WeakPolarHBondContact O-CG 3.38Å; K187-E191 PolarHBondContact O-N 3.45Å; L188-E191 PolarHBondContact O-N 3.22Å; T189-E191 PolarHBondContact O-N 2.91Å; E191-Q194 PolarHBondContact O-N 3.01Å; E191-A195 PolarHBondContact O-N 3.18Å; E191-R236 IonicContact OE2-CZ 3.85Å; E191-R236 IonicContact OE2-NH1 3.09Å; E191-R236 PolarHBondContact OE2-NH1 3.07Å
192	R	96.7	Very high	94.6	Very high	51 Å²	51	43 Å²	43	19%	0.192	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-46.5	177.4	-166.7	-167.1	83.4	-138.3	4.2	112.2	L188 T189 R190 Q194 A195 L196 F233 A237 H240 Q306	L188-R192 WeakPolarHBondContact O-CB 2.91Å; L188-R192 PolarHBondContact O-N 3.07Å; T189-R192 PolarHBondContact O-N 3.3Å; R190-R192 VanDerWaalsContact C-N 3.32Å; R190-R192 PolarHBondContact O-N 2.9Å; R192-Q194 VanDerWaalsContact C-N 3.33Å; R192-Q194 PolarHBondContact O-N 3.4Å; R192-A195 PolarHBondContact O-N 3.34Å; R192-L196 PolarHBondContact O-N 3.31Å; R192-F233 HydrophobicContact CG-CE2 3.96Å; R192-A237 HydrophobicContact CG-CB 4.22Å; R192-H240 PolarHBondContact NH1-CD2 2.98Å; R192-H240 PolarHBondContact NH1-CE1 3.46Å; R192-H240 PolarHBondContact NH1-ND1 2.92Å; R192-H240 PolarHBondContact NH1-NE2 3.15Å; R192-H240 VanDerWaalsContact NH1-NE2 3.11Å; R192-Q306 VanDerWaalsContact CZ-OE1 3.25Å
193	S	94.3	Very high	94.8	Very high	8 Å²	8	44.4 Å²	44.4	6%	0.056	21%	0.21	C	C	.	.	H	α-helix	trans	-63.3	-38.3	176.7	-69.9	0	0	0	0	112.2	T189 R190 L196 A197 Q306	T189-S193 PolarHBondContact O-N 3.04Å; T189-S193 PolarHBondContact O-OG 2.96Å; R190-S193 PolarHBondContact O-N 3.48Å; S193-L196 PolarHBondContact O-N 2.97Å; S193-A197 PolarHBondContact O-N 3.32Å; S193-Q306 PolarHBondContact OG-NE2 3.31Å
194	Q	95.6	Very high	95	Very high	54 Å²	54	44.3 Å²	44.3	25%	0.252	20%	0.197	S	C	.	.	H	α-helix	trans	-64.1	-45.2	174.9	177.9	58.9	44.4	0	0	112	R190 E191 R192 L196 A197 E198	R190-Q194 WeakPolarHBondContact O-CB 3.48Å; R190-Q194 PolarHBondContact O-N 3.43Å; E191-Q194 PolarHBondContact O-N 3.01Å; R192-Q194 VanDerWaalsContact C-N 3.33Å; R192-Q194 PolarHBondContact O-N 3.4Å; Q194-L196 VanDerWaalsContact C-N 3.28Å; Q194-L196 PolarHBondContact O-N 3.15Å; Q194-A197 PolarHBondContact O-N 3.31Å; Q194-A197 VanDerWaalsContact O-N 3.16Å; Q194-E198 WeakPolarHBondContact CG-OE1 3.49Å; Q194-E198 PolarHBondContact NE2-OE1 3.37Å; Q194-E198 VanDerWaalsContact NE2-OE1 3.08Å; Q194-E198 WeakPolarHBondContact O-CG 3.5Å; Q194-E198 PolarHBondContact O-N 2.98Å
195	A	97.1	Very high	94.9	Very high	3 Å²	3	43.2 Å²	43.2	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-62.4	-35.5	176.4	0	0	0	0	0	112.4	E191 R192 E198 V199 F233 R236	E191-A195 PolarHBondContact O-N 3.18Å; R192-A195 PolarHBondContact O-N 3.34Å; A195-E198 PolarHBondContact O-N 3.39Å; A195-V199 WeakPolarHBondContact O-CG2 3.46Å; A195-V199 PolarHBondContact O-N 2.81Å; A195-V199 VanDerWaalsContact O-N 3.13Å; A195-F233 HydrophobicContact CB-CB 4.17Å; A195-F233 HydrophobicContact CB-CD2 4.13Å; A195-R236 HydrophobicContact CB-CG 4.23Å
196	L	95.3	Very high	94.9	Very high	60 Å²	60	46.7 Å²	46.7	31%	0.314	21%	0.209	S	C	.	.	H	α-helix	trans	-63.8	-43.8	173.4	-178.4	59.9	0	0	0	111.9	R192 S193 Q194 E198 V199 Q200 F233	R192-L196 PolarHBondContact O-N 3.31Å; S193-L196 PolarHBondContact O-N 2.97Å; Q194-L196 VanDerWaalsContact C-N 3.28Å; Q194-L196 PolarHBondContact O-N 3.15Å; L196-E198 VanDerWaalsContact C-N 3.31Å; L196-E198 PolarHBondContact O-N 3.48Å; L196-V199 PolarHBondContact O-N 3.01Å; L196-Q200 PolarHBondContact O-N 2.77Å; L196-F233 HydrophobicContact CB-CD2 4.02Å; L196-F233 HydrophobicContact CB-CE2 3.76Å; L196-F233 HydrophobicContact CD1-CE2 4.18Å; L196-F233 HydrophobicContact CD1-CZ 4.24Å; L196-F233 HydrophobicContact CG-CE2 4.44Å
197	A	94	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.3	-38.7	176.9	0	0	0	0	0	111.9	Q119 S193 Q194 V199 Q200 G201	Q119-A197 HydrophobicContact CG-CB 4.41Å; Q119-A197 WeakPolarHBondContact CG-O 3.38Å; S193-A197 PolarHBondContact O-N 3.32Å; Q194-A197 PolarHBondContact O-N 3.31Å; Q194-A197 VanDerWaalsContact O-N 3.16Å; A197-V199 VanDerWaalsContact C-N 3.34Å; A197-V199 PolarHBondContact O-N 2.78Å; A197-Q200 PolarHBondContact O-N 3.08Å; A197-G201 PolarHBondContact O-N 3.39Å
198	E	95.8	Very high	94.6	Very high	59 Å²	59	44.8 Å²	44.8	28%	0.276	21%	0.211	S	C	.	.	H	α-helix	trans	-63.2	-37.9	175	-72.8	165.5	-159	0	0	112.9	Q194 A195 L196 F202	Q194-E198 WeakPolarHBondContact CG-OE1 3.49Å; Q194-E198 PolarHBondContact NE2-OE1 3.37Å; Q194-E198 VanDerWaalsContact NE2-OE1 3.08Å; Q194-E198 WeakPolarHBondContact O-CG 3.5Å; Q194-E198 PolarHBondContact O-N 2.98Å; A195-E198 PolarHBondContact O-N 3.39Å; L196-E198 VanDerWaalsContact C-N 3.31Å; L196-E198 PolarHBondContact O-N 3.48Å; E198-F202 WeakPolarHBondContact O-CB 3.46Å; E198-F202 PolarHBondContact O-N 3.23Å
199	V	96.2	Very high	94.3	Very high	15 Å²	15	45.9 Å²	45.9	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-65.6	-45.5	173.4	173.1	0	0	0	0	110.4	A195 L196 A197 G201 F202 L203 F226 K229 F233	A195-V199 WeakPolarHBondContact O-CG2 3.46Å; A195-V199 PolarHBondContact O-N 2.81Å; A195-V199 VanDerWaalsContact O-N 3.13Å; L196-V199 PolarHBondContact O-N 3.01Å; A197-V199 VanDerWaalsContact C-N 3.34Å; A197-V199 PolarHBondContact O-N 2.78Å; V199-G201 PolarHBondContact O-N 3.31Å; V199-F202 PolarHBondContact O-N 3.05Å; V199-L203 WeakPolarHBondContact O-CB 3.49Å; V199-L203 PolarHBondContact O-N 3.34Å; V199-F226 HydrophobicContact CG1-CE2 3.94Å; V199-F226 HydrophobicContact CG1-CZ 4.32Å; V199-K229 HydrophobicContact CG2-CB 4.17Å; V199-F233 HydrophobicContact CG2-CB 4.05Å
200	Q	94.7	Very high	94.3	Very high	55 Å²	55	49.8 Å²	49.8	26%	0.257	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-40.8	176.7	-72.8	177.2	-56.9	0	0	112.3	S122 N126 L196 A197 L203 H204	S122-Q200 PolarHBondContact OG-OE1 2.82Å; N126-Q200 PolarHBondContact OD1-NE2 3.28Å; L196-Q200 PolarHBondContact O-N 2.77Å; A197-Q200 PolarHBondContact O-N 3.08Å; Q200-L203 PolarHBondContact O-N 3.36Å; Q200-H204 WeakPolarHBondContact O-CB 3.37Å; Q200-H204 PolarHBondContact O-N 3.34Å
201	G	94.3	Very high	94.3	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-47.8	175.2	0	0	0	0	0	112.3	A197 V199 H204 E205	A197-G201 PolarHBondContact O-N 3.39Å; V199-G201 PolarHBondContact O-N 3.31Å; G201-H204 PolarHBondContact O-N 3.41Å; G201-E205 PolarHBondContact O-N 2.64Å
202	F	95.1	Very high	94.2	Very high	11 Å²	11	49.4 Å²	49.4	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-62.4	-45.6	175.7	178.7	-94.8	0	0	0	112.2	E198 V199 H204 E205 R206 N225 F226 K229	E198-F202 WeakPolarHBondContact O-CB 3.46Å; E198-F202 PolarHBondContact O-N 3.23Å; V199-F202 PolarHBondContact O-N 3.05Å; F202-H204 VanDerWaalsContact C-N 3.34Å; F202-H204 PolarHBondContact O-N 3.37Å; F202-E205 PolarHBondContact O-N 3.03Å; F202-R206 HydrophobicContact CD1-CG 4.13Å; F202-R206 HydrophobicContact CD2-CG 4.42Å; F202-R206 HydrophobicContact CE1-CG 3.7Å; F202-R206 HydrophobicContact CE2-CG 4.08Å; F202-R206 HydrophobicContact CG-CG 4.49Å; F202-R206 HydrophobicContact CZ-CG 3.69Å; F202-R206 WeakPolarHBondContact O-CG 3.43Å; F202-R206 PolarHBondContact O-N 3.11Å; F202-N225 HydrophobicContact CE2-CB 4.27Å; F202-N225 HydrophobicContact CZ-CB 3.84Å; F202-F226 AromaticContact CD1-CD2 3.94Å; F202-F226 HydrophobicContact CD1-CD2 3.94Å; F202-F226 HydrophobicContact CE1-CB 3.84Å; F202-F226 HydrophobicContact CE1-CD2 4Å; F202-F226 HydrophobicContact CE1-CG 4.44Å; F202-K229 HydrophobicContact CB-CD 3.43Å; F202-K229 VanDerWaalsContact CB-CD 3.43Å; F202-K229 HydrophobicContact CD1-CD 4.06Å; F202-K229 HydrophobicContact CD2-CD 3.61Å; F202-K229 HydrophobicContact CE2-CD 4.31Å; F202-K229 HydrophobicContact CG-CD 3.41Å; F202-K229 VanDerWaalsContact CG-CD 3.41Å
203	L	93.9	Very high	94.1	Very high	90 Å²	90	47.6 Å²	47.6	47%	0.471	26%	0.255	S	S	.	.	H	α-helix	trans	-61.3	-44.5	179.8	-177.1	63.8	0	0	0	111.4	V199 Q200 E205 R206 V207	V199-L203 WeakPolarHBondContact O-CB 3.49Å; V199-L203 PolarHBondContact O-N 3.34Å; Q200-L203 PolarHBondContact O-N 3.36Å; L203-E205 VanDerWaalsContact C-N 3.33Å; L203-E205 PolarHBondContact O-N 3.13Å; L203-R206 PolarHBondContact O-N 3.4Å; L203-V207 HydrophobicContact CD1-CG2 4.04Å; L203-V207 HydrophobicContact CG-CG2 4.25Å; L203-V207 WeakPolarHBondContact O-CB 3.37Å; L203-V207 VanDerWaalsContact O-CG2 3.25Å; L203-V207 WeakPolarHBondContact O-CG2 3.27Å; L203-V207 PolarHBondContact O-N 3.22Å
204	H	93.1	Very high	94.2	Very high	49 Å²	49	53.8 Å²	53.8	23%	0.227	28%	0.281	C	S	.	.	H	α-helix	trans	-57.5	-45.8	177.2	-178.3	74.1	0	0	0	112	Q200 G201 F202 V207 Q208	Q200-H204 WeakPolarHBondContact O-CB 3.37Å; Q200-H204 PolarHBondContact O-N 3.34Å; G201-H204 PolarHBondContact O-N 3.41Å; F202-H204 VanDerWaalsContact C-N 3.34Å; F202-H204 PolarHBondContact O-N 3.37Å; H204-V207 PolarHBondContact O-N 2.7Å; H204-Q208 PolarHBondContact CE1-NE2 2.98Å; H204-Q208 PolarHBondContact NE2-NE2 3.02Å; H204-Q208 WeakPolarHBondContact O-CG 3.25Å; H204-Q208 PolarHBondContact O-N 2.95Å
205	E	93.1	Very high	94.3	Very high	76 Å²	76	55.2 Å²	55.2	36%	0.355	30%	0.297	S	S	.	.	H	α-helix	trans	-62.6	-44	178.6	-166.5	-172.9	149.6	0	0	112.3	Q116 G201 F202 L203 Q208 G209	Q116-E205 PolarHBondContact NE2-OE2 2.87Å; G201-E205 PolarHBondContact O-N 2.64Å; F202-E205 PolarHBondContact O-N 3.03Å; L203-E205 VanDerWaalsContact C-N 3.33Å; L203-E205 PolarHBondContact O-N 3.13Å; E205-Q208 PolarHBondContact O-N 2.89Å; E205-G209 PolarHBondContact O-N 3.03Å
206	R	93.7	Very high	94.3	Very high	76 Å²	76	62.1 Å²	62.1	29%	0.287	33%	0.327	S	S	.	.	H	α-helix	trans	-73.9	-31.6	179.8	-54.1	-43.4	152	-157.7	-13.1	113.5	F202 L203 G209 I210 E222	F202-R206 HydrophobicContact CD1-CG 4.13Å; F202-R206 HydrophobicContact CD2-CG 4.42Å; F202-R206 HydrophobicContact CE1-CG 3.7Å; F202-R206 HydrophobicContact CE2-CG 4.08Å; F202-R206 HydrophobicContact CG-CG 4.49Å; F202-R206 HydrophobicContact CZ-CG 3.69Å; F202-R206 WeakPolarHBondContact O-CG 3.43Å; F202-R206 PolarHBondContact O-N 3.11Å; L203-R206 PolarHBondContact O-N 3.4Å; R206-G209 CarbonylContact O-C 3.59Å; R206-G209 PolarHBondContact O-N 3.09Å; R206-I210 WeakPolarHBondContact O-CA 3.4Å; R206-I210 PolarHBondContact O-N 2.95Å; R206-E222 WeakPolarHBondContact CD-OE2 3.45Å; R206-E222 IonicContact NE-OE2 2.79Å
207	V	92.3	Very high	94.4	Very high	93 Å²	93	62.9 Å²	62.9	56%	0.564	34%	0.342	S	S	*	.	H	α-helix	trans	-66.9	-42.3	173.7	170.9	0	0	0	0	110.4	L203 H204 G209 I210	L203-V207 HydrophobicContact CD1-CG2 4.04Å; L203-V207 HydrophobicContact CG-CG2 4.25Å; L203-V207 WeakPolarHBondContact O-CB 3.37Å; L203-V207 VanDerWaalsContact O-CG2 3.25Å; L203-V207 WeakPolarHBondContact O-CG2 3.27Å; L203-V207 PolarHBondContact O-N 3.22Å; H204-V207 PolarHBondContact O-N 2.7Å; V207-G209 VanDerWaalsContact C-N 3.34Å; V207-I210 WeakPolarHBondContact O-CG2 3.15Å; V207-I210 PolarHBondContact O-N 3.21Å
208	Q	88.4	Confident	94.5	Very high	71 Å²	71	65.9 Å²	65.9	33%	0.332	36%	0.357	S	S	.	.	H	α-helix	trans	-65.4	-37.2	174.1	-75	-174.4	-15.6	0	0	112.6	H204 E205	H204-Q208 PolarHBondContact CE1-NE2 2.98Å; H204-Q208 PolarHBondContact NE2-NE2 3.02Å; H204-Q208 WeakPolarHBondContact O-CG 3.25Å; H204-Q208 PolarHBondContact O-N 2.95Å; E205-Q208 PolarHBondContact O-N 2.89Å
209	G	91.2	Very high	94.6	Very high	25 Å²	25	67.2 Å²	67.2	26%	0.258	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	18.2	179.6	0	0	0	0	0	115.2	E205 R206 V207 S211 V212 V213	E205-G209 PolarHBondContact O-N 3.03Å; R206-G209 CarbonylContact O-C 3.59Å; R206-G209 PolarHBondContact O-N 3.09Å; V207-G209 VanDerWaalsContact C-N 3.34Å; G209-S211 PolarHBondContact O-N 3.4Å; G209-V212 WeakPolarHBondContact O-CB 3.2Å; G209-V212 PolarHBondContact O-N 3.17Å; G209-V213 PolarHBondContact O-N 3.23Å
210	I	94.3	Very high	94.6	Very high	82 Å²	82	72.9 Å²	72.9	42%	0.421	39%	0.393	S	S	.	.	H	α-helix	trans	-62.3	-31	-168.5	-169.6	60.3	0	0	0	113.4	R206 V207 V212 V213 K214	R206-I210 WeakPolarHBondContact O-CA 3.4Å; R206-I210 PolarHBondContact O-N 2.95Å; V207-I210 WeakPolarHBondContact O-CG2 3.15Å; V207-I210 PolarHBondContact O-N 3.21Å; I210-V212 VanDerWaalsContact C-N 3.27Å; I210-V212 PolarHBondContact O-N 3.28Å; I210-V213 HydrophobicContact CD1-CB 4.33Å; I210-V213 PolarHBondContact O-N 3.29Å; I210-K214 WeakPolarHBondContact O-CG 3.41Å; I210-K214 PolarHBondContact O-N 2.99Å
211	S	92.9	Very high	94.7	Very high	80 Å²	80	74 Å²	74	56%	0.559	40%	0.401	S	S	*	.	H	α-helix	trans	-61.3	-37.2	175.8	52.2	0	0	0	0	112	G209 K214 S215	G209-S211 PolarHBondContact O-N 3.4Å; S211-K214 PolarHBondContact O-N 3.41Å; S211-S215 WeakPolarHBondContact O-CB 3.47Å; S211-S215 PolarHBondContact O-N 3.49Å; S211-S215 PolarHBondContact O-OG 3.09Å
212	V	95.2	Very high	94.8	Very high	78 Å²	78	75.4 Å²	75.4	47%	0.473	41%	0.407	S	S	.	.	H	α-helix	trans	-68.6	-43.6	177.1	-179.7	0	0	0	0	110.4	G209 I210 K214 S215 F216	G209-V212 WeakPolarHBondContact O-CB 3.2Å; G209-V212 PolarHBondContact O-N 3.17Å; I210-V212 VanDerWaalsContact C-N 3.27Å; I210-V212 PolarHBondContact O-N 3.28Å; V212-K214 VanDerWaalsContact C-N 3.26Å; V212-K214 PolarHBondContact O-N 2.91Å; V212-S215 WeakPolarHBondContact CA-OG 3.42Å; V212-S215 PolarHBondContact O-N 3.17Å; V212-S215 PolarHBondContact O-OG 3.44Å; V212-F216 HydrophobicContact CG1-CD2 3.75Å; V212-F216 HydrophobicContact CG1-CE2 3.86Å; V212-F216 VanDerWaalsContact O-CD2 3.28Å; V212-F216 WeakPolarHBondContact O-CD2 3.35Å; V212-F216 PolarHBondContact O-N 3.36Å; V212-F216 VanDerWaalsContact O-N 3.14Å
213	V	95.9	Very high	94.9	Very high	13 Å²	13	77.5 Å²	77.5	8%	0.079	43%	0.427	C	S	.	.	H	α-helix	trans	-57.4	-44.9	176.5	179.4	0	0	0	0	110.4	G209 I210 A217 I218 E219 E222	G209-V213 PolarHBondContact O-N 3.23Å; I210-V213 HydrophobicContact CD1-CB 4.33Å; I210-V213 PolarHBondContact O-N 3.29Å; V213-A217 PolarHBondContact O-N 3.27Å; V213-I218 HydrophobicContact CG1-CG1 4.16Å; V213-I218 WeakPolarHBondContact O-CG1 3.37Å; V213-I218 PolarHBondContact O-N 3.02Å; V213-I218 VanDerWaalsContact O-N 3.11Å; V213-E219 HydrophobicContact CG1-CG 4.02Å; V213-E222 HydrophobicContact CG1-CB 4.24Å; V213-E222 HydrophobicContact CG1-CG 3.87Å; V213-E222 HydrophobicContact CG2-CG 4.01Å
214	K	96.9	Very high	95.1	Very high	138 Å²	138	80.1 Å²	80.1	60%	0.6	43%	0.434	S	S	*	.	H	α-helix	trans	-69.1	-41.4	177.2	-71.1	-177.6	174.8	-175.1	0	113.4	I210 S211 V212 F216 A217	I210-K214 WeakPolarHBondContact O-CG 3.41Å; I210-K214 PolarHBondContact O-N 2.99Å; S211-K214 PolarHBondContact O-N 3.41Å; V212-K214 VanDerWaalsContact C-N 3.26Å; V212-K214 PolarHBondContact O-N 2.91Å; K214-F216 PolarHBondContact O-N 3.26Å; K214-A217 PolarHBondContact O-N 3.19Å; K214-A217 VanDerWaalsContact O-N 3.08Å
215	S	97.5	Very high	95.3	Very high	85 Å²	85	80.7 Å²	80.7	59%	0.594	44%	0.439	S	S	*	.	H	α-helix	trans	-64.7	-31.1	-177.6	66.5	0	0	0	0	112.3	S211 V212	S211-S215 WeakPolarHBondContact O-CB 3.47Å; S211-S215 PolarHBondContact O-N 3.49Å; S211-S215 PolarHBondContact O-OG 3.09Å; V212-S215 WeakPolarHBondContact CA-OG 3.42Å; V212-S215 PolarHBondContact O-N 3.17Å; V212-S215 PolarHBondContact O-OG 3.44Å
216	F	97	Very high	95.5	Very high	147 Å²	147	80.4 Å²	80.4	65%	0.645	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	0.3	175.7	-69.1	-74	0	0	0	113.5	V212 K214 I218	V212-F216 HydrophobicContact CG1-CD2 3.75Å; V212-F216 HydrophobicContact CG1-CE2 3.86Å; V212-F216 VanDerWaalsContact O-CD2 3.28Å; V212-F216 WeakPolarHBondContact O-CD2 3.35Å; V212-F216 PolarHBondContact O-N 3.36Å; V212-F216 VanDerWaalsContact O-N 3.14Å; K214-F216 PolarHBondContact O-N 3.26Å; F216-I218 HydrophobicContact CB-CD1 4.41Å; F216-I218 HydrophobicContact CB-CG1 4.13Å; F216-I218 HydrophobicContact CB-CG2 4.01Å; F216-I218 WeakPolarHBondContact O-CG2 3.36Å; F216-I218 PolarHBondContact O-N 3.21Å
217	A	96.7	Very high	95.7	Very high	77 Å²	77	81 Å²	81	64%	0.636	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	41.5	-177.1	0	0	0	0	0	113.1	V213 K214 E219	V213-A217 PolarHBondContact O-N 3.27Å; K214-A217 PolarHBondContact O-N 3.19Å; K214-A217 VanDerWaalsContact O-N 3.08Å; A217-E219 VanDerWaalsContact CA-OE2 3.22Å; A217-E219 WeakPolarHBondContact CA-OE2 3.47Å
218	I	96.2	Very high	95.9	Very high	63 Å²	63	84.2 Å²	84.2	32%	0.323	45%	0.452	S	S	.	.			trans	-103.4	21	-175.8	58.1	167.6	0	0	0	113.1	V213 F216 D220 N221 E222	V213-I218 HydrophobicContact CG1-CG1 4.16Å; V213-I218 WeakPolarHBondContact O-CG1 3.37Å; V213-I218 PolarHBondContact O-N 3.02Å; V213-I218 VanDerWaalsContact O-N 3.11Å; F216-I218 HydrophobicContact CB-CD1 4.41Å; F216-I218 HydrophobicContact CB-CG1 4.13Å; F216-I218 HydrophobicContact CB-CG2 4.01Å; F216-I218 WeakPolarHBondContact O-CG2 3.36Å; F216-I218 PolarHBondContact O-N 3.21Å; I218-D220 VanDerWaalsContact C-N 3.27Å; I218-D220 PolarHBondContact O-N 3.49Å; I218-N221 HydrophobicContact CB-CB 4.24Å; I218-N221 WeakPolarHBondContact O-CB 3.46Å; I218-N221 PolarHBondContact O-N 2.96Å; I218-E222 HydrophobicContact CD1-CG 4.25Å; I218-E222 HydrophobicContact CG1-CG 4.33Å; I218-E222 PolarHBondContact O-N 2.94Å
219	E	97.2	Very high	96.3	Very high	86 Å²	86	84.1 Å²	84.1	40%	0.402	45%	0.45	S	S	.	.	H	α-helix	trans	-53.5	-43.2	-178.9	-67.9	86.3	162.7	0	0	112.2	V213 A217 N221 E222 A223	V213-E219 HydrophobicContact CG1-CG 4.02Å; A217-E219 VanDerWaalsContact CA-OE2 3.22Å; A217-E219 WeakPolarHBondContact CA-OE2 3.47Å; E219-N221 VanDerWaalsContact C-N 3.33Å; E219-N221 PolarHBondContact O-N 2.87Å; E219-E222 PolarHBondContact O-N 2.8Å; E219-A223 WeakPolarHBondContact O-CB 3.31Å; E219-A223 PolarHBondContact O-N 2.96Å
220	D	97.3	Very high	96.6	Very high	134 Å²	134	85.8 Å²	85.8	72%	0.717	45%	0.454	S	S	*	.	H	α-helix	trans	-66.8	-34.5	178.6	-72	-26.5	0	0	0	112.6	I218 K224	I218-D220 VanDerWaalsContact C-N 3.27Å; I218-D220 PolarHBondContact O-N 3.49Å; D220-K224 WeakPolarHBondContact O-CG 3.35Å; D220-K224 PolarHBondContact O-N 2.98Å
221	N	97	Very high	96.8	Very high	78 Å²	78	84.8 Å²	84.8	42%	0.417	45%	0.451	S	S	.	.	H	α-helix	trans	-70.8	-42.9	175.3	-175.9	71.5	0	0	0	110.8	I218 E219 A223 K224 N225	I218-N221 HydrophobicContact CB-CB 4.24Å; I218-N221 WeakPolarHBondContact O-CB 3.46Å; I218-N221 PolarHBondContact O-N 2.96Å; E219-N221 VanDerWaalsContact C-N 3.33Å; E219-N221 PolarHBondContact O-N 2.87Å; N221-A223 VanDerWaalsContact C-N 3.29Å; N221-A223 PolarHBondContact O-N 2.79Å; N221-K224 WeakPolarHBondContact O-CB 3.34Å; N221-K224 PolarHBondContact O-N 3.06Å; N221-K224 VanDerWaalsContact O-N 3.16Å; N221-N225 PolarHBondContact ND2-ND2 3.49Å; N221-N225 PolarHBondContact O-N 3.24Å
222	E	96.3	Very high	97.1	Very high	31 Å²	31	83.6 Å²	83.6	15%	0.145	44%	0.439	C	S	.	.	H	α-helix	trans	-65.1	-34	174.9	-73.5	-53.8	111	0	0	112.2	R206 V213 I218 E219 K224 N225 F226	R206-E222 WeakPolarHBondContact CD-OE2 3.45Å; R206-E222 IonicContact NE-OE2 2.79Å; V213-E222 HydrophobicContact CG1-CB 4.24Å; V213-E222 HydrophobicContact CG1-CG 3.87Å; V213-E222 HydrophobicContact CG2-CG 4.01Å; I218-E222 HydrophobicContact CD1-CG 4.25Å; I218-E222 HydrophobicContact CG1-CG 4.33Å; I218-E222 PolarHBondContact O-N 2.94Å; E219-E222 PolarHBondContact O-N 2.8Å; E222-K224 VanDerWaalsContact C-N 3.33Å; E222-K224 PolarHBondContact O-N 3.06Å; E222-N225 PolarHBondContact O-N 3Å; E222-N225 PolarHBondContact OE1-ND2 2.91Å; E222-F226 WeakPolarHBondContact O-CB 3.44Å; E222-F226 PolarHBondContact O-N 3.43Å
223	A	96.8	Very high	97.2	Very high	55 Å²	55	82.2 Å²	82.2	46%	0.455	43%	0.426	S	S	.	.	H	α-helix	trans	-61	-40.9	171.9	0	0	0	0	0	111.7	E219 N221 F226 D227	E219-A223 WeakPolarHBondContact O-CB 3.31Å; E219-A223 PolarHBondContact O-N 2.96Å; N221-A223 VanDerWaalsContact C-N 3.29Å; N221-A223 PolarHBondContact O-N 2.79Å; A223-F226 PolarHBondContact O-N 2.94Å; A223-D227 WeakPolarHBondContact O-CB 3.33Å; A223-D227 PolarHBondContact O-N 2.8Å
224	K	97.8	Very high	97.4	Very high	146 Å²	146	85.9 Å²	85.9	64%	0.635	45%	0.445	S	S	*	.	H	α-helix	trans	-66.1	-40.6	173.7	-67.8	169.7	-174.8	172.1	0	112.2	D220 N221 E222 F226 D227 K228	D220-K224 WeakPolarHBondContact O-CG 3.35Å; D220-K224 PolarHBondContact O-N 2.98Å; N221-K224 WeakPolarHBondContact O-CB 3.34Å; N221-K224 PolarHBondContact O-N 3.06Å; N221-K224 VanDerWaalsContact O-N 3.16Å; E222-K224 VanDerWaalsContact C-N 3.33Å; E222-K224 PolarHBondContact O-N 3.06Å; K224-F226 VanDerWaalsContact C-N 3.34Å; K224-D227 PolarHBondContact O-N 3.45Å; K224-K228 PolarHBondContact O-N 3.24Å
225	N	96.8	Very high	97.5	Very high	61 Å²	61	83.1 Å²	83.1	33%	0.326	44%	0.44	S	S	.	.	H	α-helix	trans	-63.1	-41.8	175.9	-73.5	-28.1	0	0	0	111.7	F202 N221 E222 K228 K229	F202-N225 HydrophobicContact CE2-CB 4.27Å; F202-N225 HydrophobicContact CZ-CB 3.84Å; N221-N225 PolarHBondContact ND2-ND2 3.49Å; N221-N225 PolarHBondContact O-N 3.24Å; E222-N225 PolarHBondContact O-N 3Å; E222-N225 PolarHBondContact OE1-ND2 2.91Å; N225-K228 PolarHBondContact O-N 3.36Å; N225-K229 PolarHBondContact O-N 2.92Å
226	F	97.1	Very high	97.5	Very high	69 Å²	69	83.2 Å²	83.2	30%	0.303	43%	0.427	S	S	.	.	H	α-helix	trans	-61.8	-48.4	172.6	-178.5	-100	0	0	0	111.2	V199 F202 E222 A223 K224 K228 K229 N230	V199-F226 HydrophobicContact CG1-CE2 3.94Å; V199-F226 HydrophobicContact CG1-CZ 4.32Å; F202-F226 AromaticContact CD1-CD2 3.94Å; F202-F226 HydrophobicContact CD1-CD2 3.94Å; F202-F226 HydrophobicContact CE1-CB 3.84Å; F202-F226 HydrophobicContact CE1-CD2 4Å; F202-F226 HydrophobicContact CE1-CG 4.44Å; E222-F226 WeakPolarHBondContact O-CB 3.44Å; E222-F226 PolarHBondContact O-N 3.43Å; A223-F226 PolarHBondContact O-N 2.94Å; K224-F226 VanDerWaalsContact C-N 3.34Å; F226-K228 VanDerWaalsContact C-N 3.26Å; F226-K228 PolarHBondContact O-N 3.45Å; F226-K229 PolarHBondContact O-N 3.02Å; F226-N230 HydrophobicContact CD1-CB 4.37Å; F226-N230 HydrophobicContact CE1-CB 4.09Å; F226-N230 HydrophobicContact CZ-CB 4.5Å; F226-N230 WeakPolarHBondContact O-CB 3.31Å; F226-N230 PolarHBondContact O-N 3.2Å
227	D	97.9	Very high	97.6	Very high	89 Å²	89	77 Å²	77	48%	0.476	40%	0.403	S	S	.	.	H	α-helix	trans	-58.1	-37.9	-179.7	-175.4	63.7	0	0	0	112.2	A223 K224 K229 N230 T231	A223-D227 WeakPolarHBondContact O-CB 3.33Å; A223-D227 PolarHBondContact O-N 2.8Å; K224-D227 PolarHBondContact O-N 3.45Å; D227-K229 PolarHBondContact O-N 3.22Å; D227-N230 PolarHBondContact O-N 3.4Å; D227-T231 WeakPolarHBondContact O-CB 3.41Å; D227-T231 PolarHBondContact O-N 3.47Å; D227-T231 PolarHBondContact O-OG1 3.13Å
228	K	98	Very high	97.6	Very high	160 Å²	160	78.3 Å²	78.3	70%	0.696	40%	0.399	S	S	*	.	H	α-helix	trans	-59.6	-45.6	174.1	-172.6	178.4	-177.9	177.6	0	112.5	K224 N225 F226 N232	K224-K228 PolarHBondContact O-N 3.24Å; N225-K228 PolarHBondContact O-N 3.36Å; F226-K228 VanDerWaalsContact C-N 3.26Å; F226-K228 PolarHBondContact O-N 3.45Å; K228-N232 PolarHBondContact O-N 3.28Å; K228-N232 VanDerWaalsContact O-N 3.07Å
229	K	96.9	Very high	97.7	Very high	69 Å²	69	78.3 Å²	78.3	30%	0.3	40%	0.397	S	S	.	.	H	α-helix	trans	-70.3	-40.1	178	-70.4	179.2	179.7	-78.1	0	111.5	V199 F202 N225 F226 D227 N232 F233	V199-K229 HydrophobicContact CG2-CB 4.17Å; F202-K229 HydrophobicContact CB-CD 3.43Å; F202-K229 VanDerWaalsContact CB-CD 3.43Å; F202-K229 HydrophobicContact CD1-CD 4.06Å; F202-K229 HydrophobicContact CD2-CD 3.61Å; F202-K229 HydrophobicContact CE2-CD 4.31Å; F202-K229 HydrophobicContact CG-CD 3.41Å; F202-K229 VanDerWaalsContact CG-CD 3.41Å; N225-K229 PolarHBondContact O-N 2.92Å; F226-K229 PolarHBondContact O-N 3.02Å; D227-K229 PolarHBondContact O-N 3.22Å; K229-N232 WeakPolarHBondContact O-CB 3.4Å; K229-N232 PolarHBondContact O-N 2.97Å; K229-F233 PolarHBondContact O-N 3.03Å
230	N	97.8	Very high	97.7	Very high	61 Å²	61	75 Å²	75	33%	0.326	38%	0.381	S	S	.	.	H	α-helix	trans	-65.2	-40.2	177.2	-164.9	36.4	0	0	0	111.6	F226 D227 F233 L234	F226-N230 HydrophobicContact CD1-CB 4.37Å; F226-N230 HydrophobicContact CE1-CB 4.09Å; F226-N230 HydrophobicContact CZ-CB 4.5Å; F226-N230 WeakPolarHBondContact O-CB 3.31Å; F226-N230 PolarHBondContact O-N 3.2Å; D227-N230 PolarHBondContact O-N 3.4Å; N230-F233 WeakPolarHBondContact O-CB 3.45Å; N230-F233 PolarHBondContact O-N 3.3Å; N230-L234 WeakPolarHBondContact O-CB 3.36Å; N230-L234 PolarHBondContact O-N 2.78Å
231	T	98.5	Very high	97.7	Very high	61 Å²	61	72.3 Å²	72.3	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-65.3	-38.5	174.1	-69.2	0	0	0	0	111.7	D227 L234 T235	D227-T231 WeakPolarHBondContact O-CB 3.41Å; D227-T231 PolarHBondContact O-N 3.47Å; D227-T231 PolarHBondContact O-OG1 3.13Å; T231-L234 PolarHBondContact O-N 3.04Å; T231-T235 WeakPolarHBondContact O-CB 3.43Å; T231-T235 PolarHBondContact O-N 3.37Å; T231-T235 PolarHBondContact O-OG1 3.36Å
232	N	98.4	Very high	97.7	Very high	54 Å²	54	75.2 Å²	75.2	29%	0.289	38%	0.375	S	S	.	.	H	α-helix	trans	-60.7	-48.1	171.2	177	51.8	0	0	0	110.8	K228 K229 L234 T235 R236	K228-N232 PolarHBondContact O-N 3.28Å; K228-N232 VanDerWaalsContact O-N 3.07Å; K229-N232 WeakPolarHBondContact O-CB 3.4Å; K229-N232 PolarHBondContact O-N 2.97Å; N232-L234 PolarHBondContact O-N 3.48Å; N232-T235 PolarHBondContact O-N 2.8Å; N232-R236 WeakPolarHBondContact O-CG 3.45Å; N232-R236 PolarHBondContact O-N 2.91Å
233	F	98.2	Very high	97.7	Very high	50 Å²	50	76.9 Å²	76.9	22%	0.219	38%	0.38	C	S	.	.	H	α-helix	trans	-57.8	-48.2	174.6	171.3	-108.6	0	0	0	112.1	R192 A195 L196 V199 K229 N230 T235 R236 A237	R192-F233 HydrophobicContact CG-CE2 3.96Å; A195-F233 HydrophobicContact CB-CB 4.17Å; A195-F233 HydrophobicContact CB-CD2 4.13Å; L196-F233 HydrophobicContact CB-CD2 4.02Å; L196-F233 HydrophobicContact CB-CE2 3.76Å; L196-F233 HydrophobicContact CD1-CE2 4.18Å; L196-F233 HydrophobicContact CD1-CZ 4.24Å; L196-F233 HydrophobicContact CG-CE2 4.44Å; V199-F233 HydrophobicContact CG2-CB 4.05Å; K229-F233 PolarHBondContact O-N 3.03Å; N230-F233 WeakPolarHBondContact O-CB 3.45Å; N230-F233 PolarHBondContact O-N 3.3Å; F233-T235 VanDerWaalsContact C-N 3.34Å; F233-T235 PolarHBondContact O-N 3.16Å; F233-R236 PolarHBondContact O-N 3.27Å; F233-A237 VanDerWaalsContact O-CB 3.31Å; F233-A237 WeakPolarHBondContact O-CB 3.41Å; F233-A237 PolarHBondContact O-N 3.02Å
234	L	98.6	Very high	97.6	Very high	90 Å²	90	76.6 Å²	76.6	47%	0.471	37%	0.37	S	S	.	.	H	α-helix	trans	-58	-45	177.3	178.7	62	0	0	0	111.6	N230 T231 N232 R236 A237 L238	N230-L234 WeakPolarHBondContact O-CB 3.36Å; N230-L234 PolarHBondContact O-N 2.78Å; T231-L234 PolarHBondContact O-N 3.04Å; N232-L234 PolarHBondContact O-N 3.48Å; L234-R236 PolarHBondContact O-N 3.01Å; L234-A237 PolarHBondContact O-N 3.14Å; L234-L238 HydrophobicContact CD1-CD1 4.05Å; L234-L238 HydrophobicContact CD1-CD2 4.48Å; L234-L238 HydrophobicContact CD1-CG 3.96Å; L234-L238 HydrophobicContact CG-CD1 4Å; L234-L238 HydrophobicContact CG-CG 4.3Å; L234-L238 WeakPolarHBondContact O-CB 3.46Å; L234-L238 WeakPolarHBondContact O-CG 3.44Å; L234-L238 PolarHBondContact O-N 3.23Å
235	T	98.7	Very high	97.5	Very high	80 Å²	80	72.2 Å²	72.2	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-43.4	178.9	-59.5	0	0	0	0	111.3	T231 N232 F233 K239	T231-T235 WeakPolarHBondContact O-CB 3.43Å; T231-T235 PolarHBondContact O-N 3.37Å; T231-T235 PolarHBondContact O-OG1 3.36Å; N232-T235 PolarHBondContact O-N 2.8Å; F233-T235 VanDerWaalsContact C-N 3.34Å; F233-T235 PolarHBondContact O-N 3.16Å; T235-K239 WeakPolarHBondContact O-CB 3.39Å; T235-K239 PolarHBondContact O-N 3.06Å
236	R	98.3	Very high	97.5	Very high	86 Å²	86	75.7 Å²	75.7	33%	0.325	37%	0.371	S	S	.	.	H	α-helix	trans	-66.4	-39.8	175	-61.4	-60.8	175.6	163.9	-2.2	111.6	E191 A195 N232 F233 L234 K239 H240	E191-R236 IonicContact OE2-CZ 3.85Å; E191-R236 IonicContact OE2-NH1 3.09Å; E191-R236 PolarHBondContact OE2-NH1 3.07Å; A195-R236 HydrophobicContact CB-CG 4.23Å; N232-R236 WeakPolarHBondContact O-CG 3.45Å; N232-R236 PolarHBondContact O-N 2.91Å; F233-R236 PolarHBondContact O-N 3.27Å; L234-R236 PolarHBondContact O-N 3.01Å; R236-K239 PolarHBondContact O-N 3.02Å; R236-H240 WeakPolarHBondContact O-CB 3.46Å; R236-H240 PolarHBondContact O-N 2.94Å
237	A	98.2	Very high	97.3	Very high	17 Å²	17	72.7 Å²	72.7	14%	0.14	36%	0.359	C	S	.	.	H	α-helix	trans	-63.9	-48.5	176.9	0	0	0	0	0	111.7	R192 F233 L234 K239 H240 T241	R192-A237 HydrophobicContact CG-CB 4.22Å; F233-A237 VanDerWaalsContact O-CB 3.31Å; F233-A237 WeakPolarHBondContact O-CB 3.41Å; F233-A237 PolarHBondContact O-N 3.02Å; L234-A237 PolarHBondContact O-N 3.14Å; A237-K239 VanDerWaalsContact C-N 3.33Å; A237-K239 PolarHBondContact O-N 3.07Å; A237-H240 WeakPolarHBondContact O-CB 3.47Å; A237-H240 PolarHBondContact O-N 3.31Å; A237-T241 WeakPolarHBondContact O-CB 3.29Å; A237-T241 PolarHBondContact O-N 3.36Å; A237-T241 PolarHBondContact O-OG1 3.46Å
238	L	98.5	Very high	97.1	Very high	104 Å²	104	73.4 Å²	73.4	55%	0.545	36%	0.358	S	S	.	.	H	α-helix	trans	-63.2	-38.7	177.1	-71.1	176.8	0	0	0	112	L234 T241 R242	L234-L238 HydrophobicContact CD1-CD1 4.05Å; L234-L238 HydrophobicContact CD1-CD2 4.48Å; L234-L238 HydrophobicContact CD1-CG 3.96Å; L234-L238 HydrophobicContact CG-CD1 4Å; L234-L238 HydrophobicContact CG-CG 4.3Å; L234-L238 WeakPolarHBondContact O-CB 3.46Å; L234-L238 WeakPolarHBondContact O-CG 3.44Å; L234-L238 PolarHBondContact O-N 3.23Å; L238-T241 PolarHBondContact O-N 2.96Å; L238-R242 WeakPolarHBondContact O-CB 3.36Å; L238-R242 PolarHBondContact O-N 3.35Å
239	K	98.3	Very high	97	Very high	64 Å²	64	68.3 Å²	68.3	28%	0.278	35%	0.345	S	S	.	.	H	α-helix	trans	-62.6	-44.6	174	-169.4	-178.8	-179	-168.9	0	111.4	L188 T235 R236 A237 W243	L188-K239 HydrophobicContact CD1-CG 4.41Å; L188-K239 HydrophobicContact CD2-CD 3.6Å; L188-K239 HydrophobicContact CD2-CG 3.81Å; T235-K239 WeakPolarHBondContact O-CB 3.39Å; T235-K239 PolarHBondContact O-N 3.06Å; R236-K239 PolarHBondContact O-N 3.02Å; A237-K239 VanDerWaalsContact C-N 3.33Å; A237-K239 PolarHBondContact O-N 3.07Å; K239-W243 VanDerWaalsContact O-CD1 3.32Å; K239-W243 PolarHBondContact O-N 3.39Å
240	H	96.7	Very high	96.9	Very high	15 Å²	15	66.5 Å²	66.5	7%	0.069	34%	0.344	C	S	.	.	H	α-helix	trans	-60	-50.1	172.5	167	-82.9	0	0	0	111.2	L188 T189 R192 R236 A237 R242 W243 N244	L188-H240 HydrophobicContact CB-CB 4.24Å; T189-H240 PolarHBondContact OG1-CD2 3.46Å; T189-H240 PolarHBondContact OG1-NE2 3.43Å; R192-H240 PolarHBondContact NH1-CD2 2.98Å; R192-H240 PolarHBondContact NH1-CE1 3.46Å; R192-H240 PolarHBondContact NH1-ND1 2.92Å; R192-H240 PolarHBondContact NH1-NE2 3.15Å; R192-H240 VanDerWaalsContact NH1-NE2 3.11Å; R236-H240 WeakPolarHBondContact O-CB 3.46Å; R236-H240 PolarHBondContact O-N 2.94Å; A237-H240 WeakPolarHBondContact O-CB 3.47Å; A237-H240 PolarHBondContact O-N 3.31Å; H240-R242 VanDerWaalsContact C-N 3.34Å; H240-R242 PolarHBondContact O-N 3.47Å; H240-W243 PolarHBondContact O-N 3.43Å; H240-N244 WeakPolarHBondContact O-CB 3.26Å; H240-N244 PolarHBondContact O-N 3.49Å
241	T	97.1	Very high	96.7	Very high	78 Å²	78	63.7 Å²	63.7	48%	0.479	33%	0.328	S	S	.	.	H	α-helix	trans	-58.2	-42.9	-179.5	-63.7	0	0	0	0	112.1	A237 L238 W243 N244 A245	A237-T241 WeakPolarHBondContact O-CB 3.29Å; A237-T241 PolarHBondContact O-N 3.36Å; A237-T241 PolarHBondContact O-OG1 3.46Å; L238-T241 PolarHBondContact O-N 2.96Å; T241-W243 PolarHBondContact O-N 3.11Å; T241-N244 PolarHBondContact O-N 3.24Å; T241-A245 WeakPolarHBondContact O-CB 3.5Å; T241-A245 PolarHBondContact O-N 3.04Å
242	R	97.7	Very high	96.4	Very high	140 Å²	140	62.4 Å²	62.4	53%	0.528	32%	0.319	S	S	.	.	H	α-helix	trans	-60.8	-46.1	177.1	-175.4	175.8	68.3	-179.8	2.3	112.1	L238 H240 N244 A245 Y246	L238-R242 WeakPolarHBondContact O-CB 3.36Å; L238-R242 PolarHBondContact O-N 3.35Å; H240-R242 VanDerWaalsContact C-N 3.34Å; H240-R242 PolarHBondContact O-N 3.47Å; R242-N244 VanDerWaalsContact C-N 3.34Å; R242-A245 PolarHBondContact O-N 2.93Å; R242-Y246 HydrophobicContact CG-CD2 3.99Å; R242-Y246 HydrophobicContact CG-CE2 3.48Å; R242-Y246 VanDerWaalsContact CG-CE2 3.48Å; R242-Y246 VanDerWaalsContact O-CD2 3.25Å; R242-Y246 WeakPolarHBondContact O-CD2 3.49Å; R242-Y246 PolarHBondContact O-N 3.46Å
243	W	95.7	Very high	96.2	Very high	66 Å²	66	63.7 Å²	63.7	25%	0.25	33%	0.329	C	S	.	.	H	α-helix	trans	-68.3	-35.2	177.4	-83.6	91.9	0	0	0	112.4	F181 R184 L185 L188 K239 H240 T241 Y246 S247	F181-W243 AromaticContact CD1-CE3 3.7Å; F181-W243 HydrophobicContact CD1-CE3 3.7Å; F181-W243 AromaticContact CD1-CZ3 3.92Å; F181-W243 HydrophobicContact CD1-CZ3 3.92Å; F181-W243 AromaticContact CE1-CE3 3.74Å; F181-W243 HydrophobicContact CE1-CE3 3.74Å; F181-W243 AromaticContact CE1-CZ3 3.78Å; F181-W243 HydrophobicContact CE1-CZ3 3.78Å; R184-W243 HydrophobicContact CB-CE3 4.35Å; R184-W243 HydrophobicContact CB-CZ3 4.44Å; R184-W243 HydrophobicContact CG-CD2 3.76Å; R184-W243 HydrophobicContact CG-CE3 3.87Å; R184-W243 HydrophobicContact CG-CG 4.34Å; R184-W243 HydrophobicContact CG-CH2 4.15Å; R184-W243 HydrophobicContact CG-CZ2 4.04Å; R184-W243 HydrophobicContact CG-CZ3 4.07Å; L185-W243 HydrophobicContact CD2-CB 3.89Å; L188-W243 HydrophobicContact CD1-CB 3.72Å; L188-W243 HydrophobicContact CD1-CD2 4.37Å; L188-W243 HydrophobicContact CD1-CG 3.5Å; K239-W243 VanDerWaalsContact O-CD1 3.32Å; K239-W243 PolarHBondContact O-N 3.39Å; H240-W243 PolarHBondContact O-N 3.43Å; T241-W243 PolarHBondContact O-N 3.11Å; W243-Y246 PolarHBondContact O-N 3.49Å; W243-S247 WeakPolarHBondContact O-CB 3.45Å; W243-S247 PolarHBondContact O-N 2.95Å
244	N	94.4	Very high	96	Very high	48 Å²	48	62.4 Å²	62.4	26%	0.257	33%	0.325	S	S	.	.	H	α-helix	trans	-64.8	-43.2	173.7	-171.7	44.1	0	0	0	111.3	L185 H240 T241 R242 S247 F248 T302	L185-N244 HydrophobicContact CD2-CB 4.19Å; H240-N244 WeakPolarHBondContact O-CB 3.26Å; H240-N244 PolarHBondContact O-N 3.49Å; T241-N244 PolarHBondContact O-N 3.24Å; R242-N244 VanDerWaalsContact C-N 3.34Å; N244-S247 PolarHBondContact O-N 3.42Å; N244-F248 WeakPolarHBondContact O-CB 3.49Å; N244-F248 PolarHBondContact O-N 3.09Å; N244-T302 VanDerWaalsContact OD1-CG2 3.3Å; N244-T302 WeakPolarHBondContact OD1-CG2 3.44Å; N244-T302 PolarHBondContact OD1-OG1 3.17Å; N244-T302 VanDerWaalsContact OD1-OG1 3.12Å
245	A	96	Very high	95.8	Very high	55 Å²	55	58.1 Å²	58.1	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-62.8	-44.1	176.1	0	0	0	0	0	112	T241 R242 F248 A249	T241-A245 WeakPolarHBondContact O-CB 3.5Å; T241-A245 PolarHBondContact O-N 3.04Å; R242-A245 PolarHBondContact O-N 2.93Å; A245-F248 PolarHBondContact O-N 3.01Å; A245-A249 VanDerWaalsContact O-CB 3.3Å; A245-A249 WeakPolarHBondContact O-CB 3.48Å; A245-A249 PolarHBondContact O-N 3.47Å
246	Y	95.7	Very high	95.5	Very high	134 Å²	134	57.7 Å²	57.7	53%	0.525	30%	0.297	S	S	.	.	H	α-helix	trans	-62.1	-42.7	174.1	-71.6	-44.5	0	0	0	112.5	R242 W243 A250	R242-Y246 HydrophobicContact CG-CD2 3.99Å; R242-Y246 HydrophobicContact CG-CE2 3.48Å; R242-Y246 VanDerWaalsContact CG-CE2 3.48Å; R242-Y246 VanDerWaalsContact O-CD2 3.25Å; R242-Y246 WeakPolarHBondContact O-CD2 3.49Å; R242-Y246 PolarHBondContact O-N 3.46Å; W243-Y246 PolarHBondContact O-N 3.49Å; Y246-A250 WeakPolarHBondContact O-CB 3.32Å; Y246-A250 PolarHBondContact O-N 2.72Å
247	S	93.6	Very high	95.3	Very high	6 Å²	6	57.2 Å²	57.2	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-60.8	-45.7	176.1	-175.9	0	0	0	0	111.3	W243 N244 I251	W243-S247 WeakPolarHBondContact O-CB 3.45Å; W243-S247 PolarHBondContact O-N 2.95Å; N244-S247 PolarHBondContact O-N 3.42Å; S247-I251 WeakPolarHBondContact O-CB 3.3Å; S247-I251 WeakPolarHBondContact O-CD1 3.4Å; S247-I251 VanDerWaalsContact O-CG1 3.24Å; S247-I251 WeakPolarHBondContact O-CG1 3.21Å; S247-I251 PolarHBondContact O-N 3.12Å
248	F	93.7	Very high	95	Very high	104 Å²	104	56.4 Å²	56.4	46%	0.456	29%	0.294	S	S	.	.	H	α-helix	trans	-65.7	-46.1	179.9	-166.6	-102.7	0	0	0	111.9	N244 A245 N252 V298	N244-F248 WeakPolarHBondContact O-CB 3.49Å; N244-F248 PolarHBondContact O-N 3.09Å; A245-F248 PolarHBondContact O-N 3.01Å; F248-N252 WeakPolarHBondContact CD1-ND2 3.38Å; F248-N252 WeakPolarHBondContact CE1-ND2 3.29Å; F248-N252 VanDerWaalsContact CZ-ND2 3.26Å; F248-N252 WeakPolarHBondContact CZ-ND2 3.22Å; F248-N252 WeakPolarHBondContact O-CB 3.33Å; F248-N252 PolarHBondContact O-N 3.04Å; F248-N252 PolarHBondContact O-ND2 3.38Å; F248-V298 HydrophobicContact CD2-CG1 4.05Å
249	A	95.3	Very high	94.7	Very high	52 Å²	52	52.7 Å²	52.7	43%	0.43	28%	0.276	S	S	.	.	H	α-helix	trans	-61.3	-50.3	177.3	0	0	0	0	0	111.6	A245 I251 N252 T253	A245-A249 VanDerWaalsContact O-CB 3.3Å; A245-A249 WeakPolarHBondContact O-CB 3.48Å; A245-A249 PolarHBondContact O-N 3.47Å; A249-I251 PolarHBondContact O-N 3.25Å; A249-N252 PolarHBondContact O-N 3.06Å; A249-T253 WeakPolarHBondContact O-CB 3.43Å; A249-T253 PolarHBondContact O-N 3.49Å; A249-T253 PolarHBondContact O-OG1 3.26Å
250	A	95.1	Very high	94.4	Very high	32 Å²	32	55.4 Å²	55.4	26%	0.264	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-45.9	-179.4	0	0	0	0	0	111.7	T177 F181 Y246 V254	T177-A250 HydrophobicContact CG2-CB 3.72Å; F181-A250 HydrophobicContact CE2-CB 3.85Å; F181-A250 HydrophobicContact CZ-CB 4.33Å; Y246-A250 WeakPolarHBondContact O-CB 3.32Å; Y246-A250 PolarHBondContact O-N 2.72Å; A250-V254 WeakPolarHBondContact O-CB 3.33Å; A250-V254 VanDerWaalsContact O-CG2 3.22Å; A250-V254 WeakPolarHBondContact O-CG2 3.48Å; A250-V254 PolarHBondContact O-N 3.3Å
251	I	93.1	Very high	94.3	Very high	1 Å²	1	57 Å²	57	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-72.6	-41.2	-176.7	-60.9	166	0	0	0	111.5	Y174 T177 V178 S247 A249 T253 V254 T255 V298	Y174-I251 HydrophobicContact CD2-CG2 3.62Å; Y174-I251 HydrophobicContact CE2-CG2 3.43Å; Y174-I251 VanDerWaalsContact CE2-CG2 3.43Å; T177-I251 HydrophobicContact CG2-CD1 4.32Å; T177-I251 HydrophobicContact CG2-CG1 3.43Å; T177-I251 VanDerWaalsContact CG2-CG1 3.43Å; V178-I251 HydrophobicContact CG2-CD1 3.85Å; S247-I251 WeakPolarHBondContact O-CB 3.3Å; S247-I251 WeakPolarHBondContact O-CD1 3.4Å; S247-I251 VanDerWaalsContact O-CG1 3.24Å; S247-I251 WeakPolarHBondContact O-CG1 3.21Å; S247-I251 PolarHBondContact O-N 3.12Å; A249-I251 PolarHBondContact O-N 3.25Å; I251-T253 PolarHBondContact O-N 3.28Å; I251-V254 PolarHBondContact O-N 3.16Å; I251-T255 HydrophobicContact CG2-CG2 4.18Å; I251-T255 WeakPolarHBondContact O-CG2 3.41Å; I251-T255 PolarHBondContact O-N 3.39Å; I251-T255 PolarHBondContact O-OG1 2.72Å; I251-T255 VanDerWaalsContact O-OG1 3.13Å; I251-V298 HydrophobicContact CB-CG1 4.45Å; I251-V298 HydrophobicContact CB-CG2 3.54Å; I251-V298 HydrophobicContact CD1-CB 4.17Å; I251-V298 HydrophobicContact CD1-CG1 3.7Å; I251-V298 HydrophobicContact CD1-CG2 3.59Å; I251-V298 HydrophobicContact CG1-CG2 4.12Å; I251-V298 HydrophobicContact CG2-CG2 3.13Å
252	N	93.2	Very high	94	Very high	34 Å²	34	53.3 Å²	53.3	18%	0.182	28%	0.278	C	S	.	.	H	α-helix	trans	-59.3	-48.2	175.1	-76.4	-17.3	0	0	0	111	F248 A249 V254 T255 D256	F248-N252 WeakPolarHBondContact CD1-ND2 3.38Å; F248-N252 WeakPolarHBondContact CE1-ND2 3.29Å; F248-N252 VanDerWaalsContact CZ-ND2 3.26Å; F248-N252 WeakPolarHBondContact CZ-ND2 3.22Å; F248-N252 WeakPolarHBondContact O-CB 3.33Å; F248-N252 PolarHBondContact O-N 3.04Å; F248-N252 PolarHBondContact O-ND2 3.38Å; A249-N252 PolarHBondContact O-N 3.06Å; N252-V254 VanDerWaalsContact C-N 3.33Å; N252-V254 PolarHBondContact O-N 2.82Å; N252-T255 WeakPolarHBondContact CA-OG1 3.26Å; N252-T255 CarbonylContact O-C 3.54Å; N252-T255 PolarHBondContact O-N 3.26Å; N252-T255 VanDerWaalsContact O-N 3.1Å; N252-T255 PolarHBondContact O-OG1 3.05Å; N252-D256 WeakPolarHBondContact O-CB 3.23Å; N252-D256 PolarHBondContact O-N 3.36Å
253	T	94.4	Very high	93.7	Very high	82 Å²	82	50.7 Å²	50.7	50%	0.503	27%	0.274	S	S	.	.	H	α-helix	trans	-56.5	-46.1	175.9	-60.6	0	0	0	0	111.9	A249 I251 T255 D256 I257	A249-T253 WeakPolarHBondContact O-CB 3.43Å; A249-T253 PolarHBondContact O-N 3.49Å; A249-T253 PolarHBondContact O-OG1 3.26Å; I251-T253 PolarHBondContact O-N 3.28Å; T253-T255 VanDerWaalsContact C-N 3.34Å; T253-T255 PolarHBondContact O-N 3.36Å; T253-D256 PolarHBondContact O-N 2.9Å; T253-I257 HydrophobicContact CG2-CD1 4.14Å; T253-I257 VanDerWaalsContact O-CG1 3.28Å; T253-I257 WeakPolarHBondContact O-CG1 3.43Å; T253-I257 PolarHBondContact O-N 3.23Å; T253-I257 VanDerWaalsContact O-N 3.13Å
254	V	94	Very high	93.6	Very high	23 Å²	23	49.7 Å²	49.7	14%	0.139	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-44.3	176.7	169.1	0	0	0	0	111.2	I170 F173 A250 I251 N252	I170-V254 HydrophobicContact CG2-CG1 3.67Å; I170-V254 VanDerWaalsContact CG2-O 3.24Å; I170-V254 WeakPolarHBondContact CG2-O 3.46Å; F173-V254 HydrophobicContact CB-CG1 4.04Å; A250-V254 WeakPolarHBondContact O-CB 3.33Å; A250-V254 VanDerWaalsContact O-CG2 3.22Å; A250-V254 WeakPolarHBondContact O-CG2 3.48Å; A250-V254 PolarHBondContact O-N 3.3Å; I251-V254 PolarHBondContact O-N 3.16Å; N252-V254 VanDerWaalsContact C-N 3.33Å; N252-V254 PolarHBondContact O-N 2.82Å
255	T	93.2	Very high	93.6	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-72.1	-27.2	178.6	57.8	0	0	0	0	113.8	Y174 I251 N252 T253 G258 P259 L294 R295	Y174-T255 HydrophobicContact CD2-CG2 3.97Å; Y174-T255 HydrophobicContact CE2-CG2 4.31Å; I251-T255 HydrophobicContact CG2-CG2 4.18Å; I251-T255 WeakPolarHBondContact O-CG2 3.41Å; I251-T255 PolarHBondContact O-N 3.39Å; I251-T255 PolarHBondContact O-OG1 2.72Å; I251-T255 VanDerWaalsContact O-OG1 3.13Å; N252-T255 WeakPolarHBondContact CA-OG1 3.26Å; N252-T255 CarbonylContact O-C 3.54Å; N252-T255 PolarHBondContact O-N 3.26Å; N252-T255 VanDerWaalsContact O-N 3.1Å; N252-T255 PolarHBondContact O-OG1 3.05Å; T253-T255 VanDerWaalsContact C-N 3.34Å; T253-T255 PolarHBondContact O-N 3.36Å; T255-G258 PolarHBondContact O-N 3.09Å; T255-P259 WeakPolarHBondContact O-CD 3.41Å; T255-L294 HydrophobicContact CG2-CB 4.09Å; T255-R295 HydrophobicContact CG2-CG 4.13Å; T255-R295 VanDerWaalsContact OG1-CG 3.25Å; T255-R295 WeakPolarHBondContact OG1-CG 3.38Å; T255-R295 PolarHBondContact OG1-NE 3.02Å
256	D	92.9	Very high	93.4	Very high	70 Å²	70	47.3 Å²	47.3	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-78.3	-28.1	-179.4	-68	-14.8	0	0	0	112	N252 T253 G258 P259 R295	N252-D256 WeakPolarHBondContact O-CB 3.23Å; N252-D256 PolarHBondContact O-N 3.36Å; T253-D256 PolarHBondContact O-N 2.9Å; D256-G258 VanDerWaalsContact C-N 3.26Å; D256-G258 PolarHBondContact O-N 3.38Å; D256-P259 WeakPolarHBondContact O-CD 3.47Å; D256-R295 IonicContact OD1-CZ 2.72Å; D256-R295 VanDerWaalsContact OD1-CZ 3.25Å; D256-R295 IonicContact OD1-NE 2.78Å; D256-R295 PolarHBondContact OD1-NE 3.37Å; D256-R295 VanDerWaalsContact OD1-NE 3.17Å; D256-R295 IonicContact OD1-NH2 3.85Å; D256-R295 PolarHBondContact OD1-NH2 3.32Å
257	I	94	Very high	93.2	Very high	76 Å²	76	42.8 Å²	42.8	39%	0.39	26%	0.256	S	S	.	.	H	α-helix	trans	-66.3	-31.7	172.1	-67	165	0	0	0	110.9	I170 T253 I260 I261	I170-I257 HydrophobicContact CD1-CB 4.32Å; I170-I257 HydrophobicContact CD1-CG2 3.94Å; T253-I257 HydrophobicContact CG2-CD1 4.14Å; T253-I257 VanDerWaalsContact O-CG1 3.28Å; T253-I257 WeakPolarHBondContact O-CG1 3.43Å; T253-I257 PolarHBondContact O-N 3.23Å; T253-I257 VanDerWaalsContact O-N 3.13Å; I257-I260 WeakPolarHBondContact O-CB 3.44Å; I257-I260 PolarHBondContact O-N 3.46Å; I257-I261 HydrophobicContact CG2-CD1 3.7Å; I257-I261 HydrophobicContact CG2-CG1 4.04Å; I257-I261 WeakPolarHBondContact O-CG1 3.32Å; I257-I261 PolarHBondContact O-N 3.19Å
258	G	91.6	Very high	93.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-55.1	-55.9	-178.4	0	0	0	0	0	114	T255 D256 I260 I261 V262 F291	T255-G258 PolarHBondContact O-N 3.09Å; D256-G258 VanDerWaalsContact C-N 3.26Å; D256-G258 PolarHBondContact O-N 3.38Å; G258-I260 VanDerWaalsContact C-N 3.28Å; G258-I260 PolarHBondContact O-N 2.95Å; G258-I261 PolarHBondContact O-N 2.85Å; G258-V262 WeakPolarHBondContact O-CG2 3.4Å; G258-V262 PolarHBondContact O-N 2.78Å; G258-F291 VanDerWaalsContact CA-CZ 3.48Å
259	P	92.3	Very high	93.1	Very high	26 Å²	26	46.1 Å²	46.1	17%	0.169	27%	0.267	C	S	.	.	H	α-helix	trans	-57.4	-37.4	175	-28.2	34.6	0	0	0	114.2	T255 D256 V262 I263 L287 F291	T255-P259 WeakPolarHBondContact O-CD 3.41Å; D256-P259 WeakPolarHBondContact O-CD 3.47Å; P259-V262 PolarHBondContact O-N 3.14Å; P259-I263 WeakPolarHBondContact O-CB 3.35Å; P259-I263 WeakPolarHBondContact O-CD1 3.45Å; P259-I263 WeakPolarHBondContact O-CG1 3.41Å; P259-I263 PolarHBondContact O-N 2.98Å; P259-L287 HydrophobicContact CB-CD1 4Å; P259-F291 HydrophobicContact CG-CD2 3.69Å; P259-F291 HydrophobicContact CG-CE2 3.99Å; P259-F291 HydrophobicContact CG-CG 4.34Å
260	I	93.5	Very high	92.8	Very high	122 Å²	122	45 Å²	45	63%	0.626	26%	0.257	S	S	*	.	H	α-helix	trans	-62.6	-45.3	178.3	-60.5	172.2	0	0	0	110.6	I257 G258 I263 G264	I257-I260 WeakPolarHBondContact O-CB 3.44Å; I257-I260 PolarHBondContact O-N 3.46Å; G258-I260 VanDerWaalsContact C-N 3.28Å; G258-I260 PolarHBondContact O-N 2.95Å; I260-I263 PolarHBondContact O-N 3.33Å; I260-G264 PolarHBondContact O-N 3.48Å
261	I	92.7	Very high	92.6	Very high	47 Å²	47	50.5 Å²	50.5	24%	0.241	28%	0.281	C	S	.	.	H	α-helix	trans	-60.9	-47.3	176.3	-67.3	173.9	0	0	0	110.4	A166 F169 I170 I257 G258 I263 G264 V265	A166-I261 HydrophobicContact CB-CG2 4.41Å; F169-I261 HydrophobicContact CD1-CD1 3.89Å; F169-I261 HydrophobicContact CE1-CD1 4.35Å; I170-I261 HydrophobicContact CD1-CD1 3.84Å; I170-I261 HydrophobicContact CG1-CD1 4.15Å; I257-I261 HydrophobicContact CG2-CD1 3.7Å; I257-I261 HydrophobicContact CG2-CG1 4.04Å; I257-I261 WeakPolarHBondContact O-CG1 3.32Å; I257-I261 PolarHBondContact O-N 3.19Å; G258-I261 PolarHBondContact O-N 2.85Å; I261-I263 PolarHBondContact O-N 2.98Å; I261-G264 PolarHBondContact O-N 3.31Å; I261-V265 HydrophobicContact CG2-CG2 4.32Å; I261-V265 WeakPolarHBondContact O-CB 3.43Å; I261-V265 WeakPolarHBondContact O-CG2 3.25Å; I261-V265 PolarHBondContact O-N 2.73Å
262	V	91.6	Very high	92.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-66	-40.1	-178.1	176.9	0	0	0	0	111.5	L163 A167 G258 P259 G266 F283 L287	L163-V262 HydrophobicContact CD1-CG1 3.8Å; L163-V262 WeakPolarHBondContact CD1-O 3.43Å; L163-V262 HydrophobicContact CG-CG1 4.03Å; A167-V262 VanDerWaalsContact CA-CG2 3.47Å; A167-V262 HydrophobicContact CB-CG2 3.53Å; G258-V262 WeakPolarHBondContact O-CG2 3.4Å; G258-V262 PolarHBondContact O-N 2.78Å; P259-V262 PolarHBondContact O-N 3.14Å; V262-G266 WeakPolarHBondContact O-CA 3.4Å; V262-G266 PolarHBondContact O-N 2.91Å; V262-F283 HydrophobicContact CG1-CD1 4.48Å; V262-L287 HydrophobicContact CB-CD1 4.05Å; V262-L287 HydrophobicContact CB-CD2 4.01Å; V262-L287 HydrophobicContact CG1-CD1 3.98Å; V262-L287 HydrophobicContact CG1-CD2 3.83Å; V262-L287 HydrophobicContact CG1-CG 4.34Å; V262-L287 HydrophobicContact CG2-CD2 3.98Å
263	I	92.1	Very high	92.1	Very high	85 Å²	85	55 Å²	55	44%	0.436	33%	0.325	S	S	.	.	H	α-helix	trans	-63.9	-44.8	175.4	-69.6	166	0	0	0	110.4	P259 I260 I261 G266 A267 V284	P259-I263 WeakPolarHBondContact O-CB 3.35Å; P259-I263 WeakPolarHBondContact O-CD1 3.45Å; P259-I263 WeakPolarHBondContact O-CG1 3.41Å; P259-I263 PolarHBondContact O-N 2.98Å; I260-I263 PolarHBondContact O-N 3.33Å; I261-I263 PolarHBondContact O-N 2.98Å; I263-G266 PolarHBondContact O-N 2.61Å; I263-A267 VanDerWaalsContact O-CB 3.26Å; I263-A267 WeakPolarHBondContact O-CB 3.27Å; I263-A267 PolarHBondContact O-N 2.99Å; I263-V284 HydrophobicContact CG1-CG2 4.47Å
264	G	93.3	Very high	91.7	Very high	46 Å²	46	54.3 Å²	54.3	47%	0.474	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-49.6	179.1	0	0	0	0	0	113.2	I260 I261 Y268	I260-G264 PolarHBondContact O-N 3.48Å; I261-G264 PolarHBondContact O-N 3.31Å; G264-Y268 PolarHBondContact O-N 2.63Å; G264-Y268 VanDerWaalsContact O-N 3.14Å
265	V	93.4	Very high	91.4	Very high	53 Å²	53	54 Å²	54	32%	0.321	32%	0.322	S	S	.	.	H	α-helix	trans	-66.9	-40.1	177.4	175.6	0	0	0	0	111	L163 A166 I261 Y268 L269	L163-V265 HydrophobicContact CD1-CB 4.29Å; L163-V265 HydrophobicContact CD1-CG1 4.15Å; A166-V265 HydrophobicContact CB-CB 4.16Å; A166-V265 HydrophobicContact CB-CG1 4.04Å; A166-V265 HydrophobicContact CB-CG2 4.13Å; I261-V265 HydrophobicContact CG2-CG2 4.32Å; I261-V265 WeakPolarHBondContact O-CB 3.43Å; I261-V265 WeakPolarHBondContact O-CG2 3.25Å; I261-V265 PolarHBondContact O-N 2.73Å; V265-Y268 PolarHBondContact O-N 3.44Å; V265-L269 HydrophobicContact CG1-CD1 4.01Å; V265-L269 HydrophobicContact CG1-CG 4.35Å; V265-L269 WeakPolarHBondContact O-CG 3.29Å; V265-L269 PolarHBondContact O-N 3.43Å
266	G	92.8	Very high	91.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	34%	0.344	C	S	.	.	H	α-helix	trans	-64.1	-42.6	177.9	0	0	0	0	0	112.6	V262 I263 Y268 L269 A270 I275	V262-G266 WeakPolarHBondContact O-CA 3.4Å; V262-G266 PolarHBondContact O-N 2.91Å; I263-G266 PolarHBondContact O-N 2.61Å; G266-Y268 PolarHBondContact O-N 2.79Å; G266-L269 PolarHBondContact O-N 3.06Å; G266-A270 WeakPolarHBondContact O-CB 3.46Å; G266-A270 PolarHBondContact O-N 2.99Å; G266-I275 WeakPolarHBondContact O-CD1 3.43Å
267	A	91.9	Very high	90.7	Very high	38 Å²	38	59.9 Å²	59.9	31%	0.314	36%	0.36	S	S	.	.	H	α-helix	trans	-61.5	-43.5	173.7	0	0	0	0	0	111.5	I263 A270 I271	I263-A267 VanDerWaalsContact O-CB 3.26Å; I263-A267 WeakPolarHBondContact O-CB 3.27Å; I263-A267 PolarHBondContact O-N 2.99Å; A267-A270 PolarHBondContact O-N 3.36Å; A267-I271 WeakPolarHBondContact O-CD1 3.22Å; A267-I271 VanDerWaalsContact O-CG1 3.25Å; A267-I271 WeakPolarHBondContact O-CG1 3.44Å; A267-I271 PolarHBondContact O-N 2.88Å
268	Y	93.3	Very high	90.2	Very high	165 Å²	165	56.5 Å²	56.5	65%	0.647	34%	0.343	S	S	*	.	H	α-helix	trans	-60.8	-46	175.5	177.7	-98.7	0	0	0	112.4	G264 V265 G266 A270 I271 S272	G264-Y268 PolarHBondContact O-N 2.63Å; G264-Y268 VanDerWaalsContact O-N 3.14Å; V265-Y268 PolarHBondContact O-N 3.44Å; G266-Y268 PolarHBondContact O-N 2.79Å; Y268-A270 VanDerWaalsContact C-N 3.3Å; Y268-A270 PolarHBondContact O-N 3.28Å; Y268-I271 PolarHBondContact O-N 3.07Å; Y268-S272 PolarHBondContact O-N 3.32Å; Y268-S272 PolarHBondContact O-OG 3.18Å
269	L	91.2	Very high	89.9	Confident	15 Å²	15	57.5 Å²	57.5	8%	0.079	35%	0.35	C	S	.	.	H	α-helix	trans	-66.4	-30.6	177.6	-70.4	174.9	0	0	0	113	K162 L163 V265 G266 S272 G273 S274 I275	K162-L269 HydrophobicContact CB-CD1 4.24Å; L163-L269 HydrophobicContact CB-CD1 4.32Å; L163-L269 HydrophobicContact CD1-CD1 4.48Å; V265-L269 HydrophobicContact CG1-CD1 4.01Å; V265-L269 HydrophobicContact CG1-CG 4.35Å; V265-L269 WeakPolarHBondContact O-CG 3.29Å; V265-L269 PolarHBondContact O-N 3.43Å; G266-L269 PolarHBondContact O-N 3.06Å; L269-S272 WeakPolarHBondContact CA-OG 3.16Å; L269-S272 PolarHBondContact O-OG 3.06Å; L269-S272 VanDerWaalsContact O-OG 3.07Å; L269-G273 PolarHBondContact O-N 2.9Å; L269-S274 WeakPolarHBondContact O-CB 3.42Å; L269-S274 PolarHBondContact O-N 3.26Å; L269-I275 HydrophobicContact CB-CD1 3.96Å; L269-I275 HydrophobicContact CB-CG1 3.93Å; L269-I275 HydrophobicContact CB-CG2 4.42Å; L269-I275 PolarHBondContact O-N 3.12Å
270	A	88.9	Confident	89.7	Confident	28 Å²	28	57.9 Å²	57.9	23%	0.231	35%	0.35	C	S	.	.	H	α-helix	trans	-71.7	-41.7	174.5	0	0	0	0	0	111.2	G266 A267 Y268 S272 G273 I275	G266-A270 WeakPolarHBondContact O-CB 3.46Å; G266-A270 PolarHBondContact O-N 2.99Å; A267-A270 PolarHBondContact O-N 3.36Å; Y268-A270 VanDerWaalsContact C-N 3.3Å; Y268-A270 PolarHBondContact O-N 3.28Å; A270-S272 VanDerWaalsContact C-N 3.33Å; A270-S272 PolarHBondContact O-N 2.97Å; A270-G273 PolarHBondContact O-N 3.06Å; A270-G273 VanDerWaalsContact O-N 3.1Å; A270-I275 HydrophobicContact CB-CD1 4.49Å; A270-I275 HydrophobicContact CB-CG1 4.01Å
271	I	91.7	Very high	89.3	Confident	148 Å²	148	53.9 Å²	53.9	76%	0.759	34%	0.335	S	S	*	.	H	α-helix	trans	-63.8	-39.1	175.5	-67.5	163.6	0	0	0	111	A267 Y268 G273	A267-I271 WeakPolarHBondContact O-CD1 3.22Å; A267-I271 VanDerWaalsContact O-CG1 3.25Å; A267-I271 WeakPolarHBondContact O-CG1 3.44Å; A267-I271 PolarHBondContact O-N 2.88Å; Y268-I271 PolarHBondContact O-N 3.07Å; I271-G273 PolarHBondContact O-N 3.33Å
272	S	90.7	Very high	89	Confident	63 Å²	63	51.8 Å²	51.8	44%	0.441	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74	2	176.1	68.3	0	0	0	0	113.9	Y268 L269 A270 S274	Y268-S272 PolarHBondContact O-N 3.32Å; Y268-S272 PolarHBondContact O-OG 3.18Å; L269-S272 WeakPolarHBondContact CA-OG 3.16Å; L269-S272 PolarHBondContact O-OG 3.06Å; L269-S272 VanDerWaalsContact O-OG 3.07Å; A270-S272 VanDerWaalsContact C-N 3.33Å; A270-S272 PolarHBondContact O-N 2.97Å; S272-S274 PolarHBondContact O-N 3.46Å; S272-S274 PolarHBondContact OG-OG 3.27Å
273	G	85	Confident	88.8	Confident	66 Å²	66	51.7 Å²	51.7	68%	0.68	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.2	15.9	-178.9	0	0	0	0	0	114.3	L269 A270 I271	L269-G273 PolarHBondContact O-N 2.9Å; A270-G273 PolarHBondContact O-N 3.06Å; A270-G273 VanDerWaalsContact O-N 3.1Å; I271-G273 PolarHBondContact O-N 3.33Å
274	S	85.7	Confident	88.6	Confident	69 Å²	69	51.1 Å²	51.1	48%	0.483	33%	0.325	S	S	.	.	S	Bend	trans	-82.4	-27.5	-178.5	-56.7	0	0	0	0	113	L269 S272	L269-S274 WeakPolarHBondContact O-CB 3.42Å; L269-S274 PolarHBondContact O-N 3.26Å; S272-S274 PolarHBondContact O-N 3.46Å; S272-S274 PolarHBondContact OG-OG 3.27Å
275	I	87.2	Confident	88.4	Confident	16 Å²	16	50.1 Å²	50.1	8%	0.082	31%	0.314	C	S	.	.	S	Bend	trans	-132.6	154.2	175.7	66.2	174.2	0	0	0	110.8	D160 L163 G266 L269 A270 T279 L280	D160-I275 HydrophobicContact CB-CG2 4.31Å; L163-I275 HydrophobicContact CD2-CD1 4.04Å; G266-I275 WeakPolarHBondContact O-CD1 3.43Å; L269-I275 HydrophobicContact CB-CD1 3.96Å; L269-I275 HydrophobicContact CB-CG1 3.93Å; L269-I275 HydrophobicContact CB-CG2 4.42Å; L269-I275 PolarHBondContact O-N 3.12Å; A270-I275 HydrophobicContact CB-CD1 4.49Å; A270-I275 HydrophobicContact CB-CG1 4.01Å; I275-T279 HydrophobicContact CB-CG2 4.37Å; I275-L280 HydrophobicContact CD1-CB 4.32Å
276	T	87.2	Confident	88.2	Confident	76 Å²	76	47.6 Å²	47.6	47%	0.466	30%	0.299	S	S	.	.			trans	-82.8	157	174.4	68.7	0	0	0	0	111.5	G278 T279 L280	T276-G278 PolarHBondContact O-N 3.42Å; T276-T279 WeakPolarHBondContact O-CB 3.45Å; T276-T279 PolarHBondContact O-N 2.93Å; T276-T279 PolarHBondContact OG1-N 3.21Å; T276-T279 VanDerWaalsContact OG1-N 3.1Å; T276-T279 PolarHBondContact OG1-OG1 3.02Å; T276-L280 PolarHBondContact O-N 3.42Å
277	V	85	Confident	88.1	Confident	118 Å²	118	48 Å²	48	72%	0.715	30%	0.301	S	S	*	.	H	α-helix	trans	-57.7	-36.2	172	-178.4	0	0	0	0	111.2	T279 L280 A281	V277-T279 VanDerWaalsContact C-N 3.35Å; V277-T279 PolarHBondContact O-N 3.39Å; V277-L280 PolarHBondContact O-N 3.22Å; V277-A281 WeakPolarHBondContact O-CB 3.4Å; V277-A281 PolarHBondContact O-N 3.34Å
278	G	82.9	Confident	88	Confident	4 Å²	4	51.6 Å²	51.6	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-62.8	-37.8	174.3	0	0	0	0	0	113.2	T276 A281 A282	T276-G278 PolarHBondContact O-N 3.42Å; G278-A281 PolarHBondContact O-N 2.99Å; G278-A282 WeakPolarHBondContact O-CB 3.49Å; G278-A282 PolarHBondContact O-N 3.2Å
279	T	85.6	Confident	87.8	Confident	21 Å²	21	45.1 Å²	45.1	13%	0.129	29%	0.287	C	S	.	.	H	α-helix	trans	-67.6	-43.8	174.9	-58.9	0	0	0	0	110.6	L159 I275 T276 V277 A281 A282 F283	L159-T279 HydrophobicContact CB-CG2 4.44Å; I275-T279 HydrophobicContact CB-CG2 4.37Å; T276-T279 WeakPolarHBondContact O-CB 3.45Å; T276-T279 PolarHBondContact O-N 2.93Å; T276-T279 PolarHBondContact OG1-N 3.21Å; T276-T279 VanDerWaalsContact OG1-N 3.1Å; T276-T279 PolarHBondContact OG1-OG1 3.02Å; V277-T279 VanDerWaalsContact C-N 3.35Å; V277-T279 PolarHBondContact O-N 3.39Å; T279-A281 PolarHBondContact O-N 2.78Å; T279-A282 PolarHBondContact O-N 3.42Å; T279-F283 HydrophobicContact CG2-CD2 3.99Å; T279-F283 HydrophobicContact CG2-CE2 4.04Å; T279-F283 WeakPolarHBondContact O-CD2 3.35Å; T279-F283 PolarHBondContact O-N 2.58Å
280	L	87.4	Confident	87.9	Confident	35 Å²	35	44.4 Å²	44.4	18%	0.183	28%	0.284	C	S	.	.	H	α-helix	trans	-59.2	-44.8	174.1	-177.6	60.6	0	0	0	111.8	I275 T276 V277 A282 F283 V284	I275-L280 HydrophobicContact CD1-CB 4.32Å; T276-L280 PolarHBondContact O-N 3.42Å; V277-L280 PolarHBondContact O-N 3.22Å; L280-A282 PolarHBondContact O-N 3.43Å; L280-F283 WeakPolarHBondContact O-CB 3.34Å; L280-F283 PolarHBondContact O-N 2.86Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 2.82Å
281	A	86.6	Confident	88.1	Confident	37 Å²	37	43.1 Å²	43.1	31%	0.306	27%	0.273	S	S	.	.	H	α-helix	trans	-62.2	-42.6	177.2	0	0	0	0	0	112.4	I41 V277 G278 T279 F283 V284 G285	I41-A281 HydrophobicContact CD1-CB 4.42Å; V277-A281 WeakPolarHBondContact O-CB 3.4Å; V277-A281 PolarHBondContact O-N 3.34Å; G278-A281 PolarHBondContact O-N 2.99Å; T279-A281 PolarHBondContact O-N 2.78Å; A281-F283 VanDerWaalsContact C-N 3.34Å; A281-F283 PolarHBondContact O-N 3.06Å; A281-V284 PolarHBondContact O-N 3.28Å; A281-G285 PolarHBondContact O-N 3.2Å; A281-G285 VanDerWaalsContact O-N 3.13Å
282	A	85.3	Confident	88	Confident	3 Å²	3	36.2 Å²	36.2	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-61.2	-43.6	174.4	0	0	0	0	0	111.4	K38 L159 G278 T279 L280 G285 Y286	K38-A282 HydrophobicContact CB-CB 4.47Å; L159-A282 HydrophobicContact CD1-CB 4.16Å; G278-A282 WeakPolarHBondContact O-CB 3.49Å; G278-A282 PolarHBondContact O-N 3.2Å; T279-A282 PolarHBondContact O-N 3.42Å; L280-A282 PolarHBondContact O-N 3.43Å; A282-G285 PolarHBondContact O-N 3.31Å; A282-Y286 WeakPolarHBondContact O-CD2 3.37Å; A282-Y286 PolarHBondContact O-N 3.38Å
283	F	87.8	Confident	88.1	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-48.3	175.4	-98.2	-98.2	0	0	0	111.8	M156 L159 D160 L163 V262 T279 L280 A281 G285 Y286 L287	M156-F283 HydrophobicContact CB-CE1 3.93Å; M156-F283 HydrophobicContact CB-CZ 4.14Å; M156-F283 HydrophobicContact CE-CD1 3.63Å; M156-F283 HydrophobicContact CE-CE1 3.61Å; M156-F283 HydrophobicContact CG-CD1 4.4Å; M156-F283 HydrophobicContact CG-CE1 4.11Å; M156-F283 WeakPolarHBondContact O-CZ 3.45Å; L159-F283 HydrophobicContact CB-CD2 4.22Å; L159-F283 HydrophobicContact CB-CE2 3.43Å; L159-F283 VanDerWaalsContact CB-CE2 3.43Å; L159-F283 HydrophobicContact CB-CZ 4.13Å; L159-F283 HydrophobicContact CD1-CD2 4.19Å; L159-F283 HydrophobicContact CD1-CE2 4.15Å; L159-F283 HydrophobicContact CG-CE2 4.45Å; D160-F283 HydrophobicContact CB-CE2 3.93Å; D160-F283 HydrophobicContact CB-CZ 3.97Å; L163-F283 HydrophobicContact CB-CD1 4.3Å; L163-F283 HydrophobicContact CB-CE1 3.79Å; L163-F283 HydrophobicContact CB-CE2 4.5Å; L163-F283 HydrophobicContact CB-CZ 3.9Å; L163-F283 HydrophobicContact CD2-CB 3.95Å; L163-F283 HydrophobicContact CD2-CD1 3.46Å; L163-F283 VanDerWaalsContact CD2-CD1 3.46Å; L163-F283 HydrophobicContact CD2-CD2 3.68Å; L163-F283 HydrophobicContact CD2-CE1 3.77Å; L163-F283 HydrophobicContact CD2-CE2 3.93Å; L163-F283 HydrophobicContact CD2-CG 3.41Å; L163-F283 VanDerWaalsContact CD2-CG 3.41Å; L163-F283 HydrophobicContact CD2-CZ 3.99Å; L163-F283 HydrophobicContact CG-CD1 3.64Å; L163-F283 HydrophobicContact CG-CE1 3.64Å; L163-F283 HydrophobicContact CG-CG 4.14Å; L163-F283 HydrophobicContact CG-CZ 4.13Å; V262-F283 HydrophobicContact CG1-CD1 4.48Å; T279-F283 HydrophobicContact CG2-CD2 3.99Å; T279-F283 HydrophobicContact CG2-CE2 4.04Å; T279-F283 WeakPolarHBondContact O-CD2 3.35Å; T279-F283 PolarHBondContact O-N 2.58Å; L280-F283 WeakPolarHBondContact O-CB 3.34Å; L280-F283 PolarHBondContact O-N 2.86Å; A281-F283 VanDerWaalsContact C-N 3.34Å; A281-F283 PolarHBondContact O-N 3.06Å; F283-G285 PolarHBondContact O-N 2.98Å; F283-Y286 CarbonylContact O-C 3.59Å; F283-Y286 WeakPolarHBondContact O-CA 3.47Å; F283-Y286 PolarHBondContact O-N 3Å; F283-L287 WeakPolarHBondContact O-CG 3.43Å; F283-L287 PolarHBondContact O-N 3.14Å
284	V	88	Confident	88.4	Confident	73 Å²	73	30.4 Å²	30.4	44%	0.442	19%	0.187	S	C	.	.	H	α-helix	trans	-55.2	-40.7	176.4	173	0	0	0	0	111.4	I263 L280 A281 L287	I263-V284 HydrophobicContact CG1-CG2 4.47Å; L280-V284 WeakPolarHBondContact O-CG2 3.38Å; L280-V284 PolarHBondContact O-N 2.82Å; A281-V284 PolarHBondContact O-N 3.28Å; V284-L287 WeakPolarHBondContact O-CB 3.03Å; V284-L287 PolarHBondContact O-N 3.48Å
285	G	87.9	Confident	88.7	Confident	24 Å²	24	30.2 Å²	30.2	25%	0.247	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-40.5	172.9	0	0	0	0	0	113.5	A281 A282 F283 L287	A281-G285 PolarHBondContact O-N 3.2Å; A281-G285 VanDerWaalsContact O-N 3.13Å; A282-G285 PolarHBondContact O-N 3.31Å; F283-G285 PolarHBondContact O-N 2.98Å; G285-L287 VanDerWaalsContact C-N 3.34Å
286	Y	90.6	Very high	88.8	Confident	1 Å²	1	34.5 Å²	34.5	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-73.4	-21.3	176.2	-75.6	-62.8	0	0	0	114.1	P34 L35 I155 M156 L159 A282 F283 E288 L289 L290	P34-Y286 HydrophobicContact CB-CD2 4.3Å; P34-Y286 HydrophobicContact CB-CE1 4.23Å; P34-Y286 HydrophobicContact CB-CE2 3.93Å; P34-Y286 HydrophobicContact CG-CD1 4.41Å; P34-Y286 HydrophobicContact CG-CE1 4.22Å; L35-Y286 VanDerWaalsContact CD2-OH 3.31Å; L35-Y286 WeakPolarHBondContact CD2-OH 3.49Å; L35-Y286 VanDerWaalsContact CG-OH 3.24Å; L35-Y286 WeakPolarHBondContact CG-OH 3.21Å; I155-Y286 HydrophobicContact CB-CE1 4.33Å; I155-Y286 HydrophobicContact CD1-CE1 3.82Å; I155-Y286 HydrophobicContact CG2-CD2 4.33Å; I155-Y286 HydrophobicContact CG2-CE1 4.07Å; I155-Y286 HydrophobicContact CG2-CE2 3.58Å; I155-Y286 VanDerWaalsContact CG2-CZ 3.43Å; I155-Y286 WeakPolarHBondContact CG2-OH 3.3Å; M156-Y286 HydrophobicContact CG-CG 4.3Å; L159-Y286 HydrophobicContact CD1-CD2 4.05Å; L159-Y286 HydrophobicContact CD1-CE2 3.92Å; A282-Y286 WeakPolarHBondContact O-CD2 3.37Å; A282-Y286 PolarHBondContact O-N 3.38Å; F283-Y286 CarbonylContact O-C 3.59Å; F283-Y286 WeakPolarHBondContact O-CA 3.47Å; F283-Y286 PolarHBondContact O-N 3Å; Y286-E288 VanDerWaalsContact C-N 3.26Å; Y286-E288 PolarHBondContact O-N 3.44Å; Y286-L289 HydrophobicContact CD1-CB 4.49Å; Y286-L289 HydrophobicContact CD1-CD2 4.07Å; Y286-L289 HydrophobicContact CE1-CD2 4.22Å; Y286-L289 CarbonylContact O-C 3.59Å; Y286-L289 WeakPolarHBondContact O-CA 3.42Å; Y286-L289 WeakPolarHBondContact O-CB 3.47Å; Y286-L289 PolarHBondContact O-N 3.16Å; Y286-L289 VanDerWaalsContact O-N 3.07Å; Y286-L290 WeakPolarHBondContact O-CB 3.25Å; Y286-L290 PolarHBondContact O-N 3.14Å
287	L	90.9	Very high	89	Confident	8 Å²	8	31.3 Å²	31.3	4%	0.042	17%	0.171	C	C	.	.	H	α-helix	trans	-59.4	-39.5	175.5	-67.2	-178.5	0	0	0	111.8	M156 P259 V262 F283 V284 G285 L289 L290 F291	M156-L287 HydrophobicContact CE-CD2 4.23Å; P259-L287 HydrophobicContact CB-CD1 4Å; V262-L287 HydrophobicContact CB-CD1 4.05Å; V262-L287 HydrophobicContact CB-CD2 4.01Å; V262-L287 HydrophobicContact CG1-CD1 3.98Å; V262-L287 HydrophobicContact CG1-CD2 3.83Å; V262-L287 HydrophobicContact CG1-CG 4.34Å; V262-L287 HydrophobicContact CG2-CD2 3.98Å; F283-L287 WeakPolarHBondContact O-CG 3.43Å; F283-L287 PolarHBondContact O-N 3.14Å; V284-L287 WeakPolarHBondContact O-CB 3.03Å; V284-L287 PolarHBondContact O-N 3.48Å; G285-L287 VanDerWaalsContact C-N 3.34Å; L287-L289 VanDerWaalsContact C-N 3.31Å; L287-L289 PolarHBondContact O-N 3.11Å; L287-L290 PolarHBondContact O-N 3.37Å; L287-F291 HydrophobicContact CB-CD2 4.22Å; L287-F291 HydrophobicContact CD2-CD2 4.18Å; L287-F291 HydrophobicContact CD2-CE2 3.78Å; L287-F291 WeakPolarHBondContact O-CB 3.08Å; L287-F291 WeakPolarHBondContact O-CD2 3.33Å; L287-F291 PolarHBondContact O-N 2.87Å
288	E	89.2	Confident	89.1	Confident	113 Å²	113	25.7 Å²	25.7	53%	0.528	14%	0.137	S	C	.	.	H	α-helix	trans	-68.3	-34.2	176.5	-172.5	55.9	-152.4	0	0	111.6	Y286 L290 G292 R295	Y286-E288 VanDerWaalsContact C-N 3.26Å; Y286-E288 PolarHBondContact O-N 3.44Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.48Å; E288-G292 VanDerWaalsContact O-CA 3.24Å; E288-G292 WeakPolarHBondContact O-CA 3.36Å; E288-G292 PolarHBondContact O-N 3.43Å; E288-R295 IonicContact OE2-NH1 2.71Å
289	L	89.4	Confident	89.3	Confident	29 Å²	29	28 Å²	28	15%	0.152	16%	0.155	C	C	.	.	H	α-helix	trans	-72.9	-20.6	174.4	-87.8	67.2	0	0	0	113.3	M31 A152 Y286 L287 P293	M31-L289 HydrophobicContact CB-CD2 3.98Å; M31-L289 HydrophobicContact CG-CD2 3.64Å; A152-L289 HydrophobicContact CB-CB 4.26Å; Y286-L289 HydrophobicContact CD1-CB 4.49Å; Y286-L289 HydrophobicContact CD1-CD2 4.07Å; Y286-L289 HydrophobicContact CE1-CD2 4.22Å; Y286-L289 CarbonylContact O-C 3.59Å; Y286-L289 WeakPolarHBondContact O-CA 3.42Å; Y286-L289 WeakPolarHBondContact O-CB 3.47Å; Y286-L289 PolarHBondContact O-N 3.16Å; Y286-L289 VanDerWaalsContact O-N 3.07Å; L287-L289 VanDerWaalsContact C-N 3.31Å; L287-L289 PolarHBondContact O-N 3.11Å; L289-P293 WeakPolarHBondContact O-CD 3.33Å; L289-P293 WeakPolarHBondContact O-CG 3.45Å
290	L	92.6	Very high	89.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-90	-56.8	176.5	-173.9	67	0	0	0	111.3	I149 L153 M156 A167 F171 Y286 L287 E288 L294	I149-L290 HydrophobicContact CG2-CD1 4Å; L153-L290 HydrophobicContact CD1-CD1 4.42Å; L153-L290 HydrophobicContact CD2-CD1 3.7Å; L153-L290 HydrophobicContact CD2-CD2 4.32Å; L153-L290 HydrophobicContact CG-CD1 3.73Å; M156-L290 HydrophobicContact CE-CD2 4.08Å; M156-L290 HydrophobicContact SD-CB 4.48Å; M156-L290 HydrophobicContact SD-CD2 4.02Å; A167-L290 HydrophobicContact CB-CD2 4.01Å; F171-L290 HydrophobicContact CE2-CD1 4.26Å; F171-L290 HydrophobicContact CE2-CD2 4.28Å; F171-L290 HydrophobicContact CE2-CG 4.31Å; F171-L290 HydrophobicContact CZ-CD1 3.82Å; F171-L290 HydrophobicContact CZ-CG 4.32Å; Y286-L290 WeakPolarHBondContact O-CB 3.25Å; Y286-L290 PolarHBondContact O-N 3.14Å; L287-L290 PolarHBondContact O-N 3.37Å; E288-L290 VanDerWaalsContact C-N 3.28Å; E288-L290 PolarHBondContact O-N 3.48Å; L290-L294 WeakPolarHBondContact O-CG 3.25Å
291	F	92.6	Very high	89.7	Confident	1 Å²	1	28.3 Å²	28.3	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-82	-28.1	-174	-67.4	-67.6	0	0	0	113.2	I170 G258 P259 L287 L294 R295	I170-F291 HydrophobicContact CB-CE1 4.42Å; I170-F291 HydrophobicContact CG2-CE1 4.18Å; G258-F291 VanDerWaalsContact CA-CZ 3.48Å; P259-F291 HydrophobicContact CG-CD2 3.69Å; P259-F291 HydrophobicContact CG-CE2 3.99Å; P259-F291 HydrophobicContact CG-CG 4.34Å; L287-F291 HydrophobicContact CB-CD2 4.22Å; L287-F291 HydrophobicContact CD2-CD2 4.18Å; L287-F291 HydrophobicContact CD2-CE2 3.78Å; L287-F291 WeakPolarHBondContact O-CB 3.08Å; L287-F291 WeakPolarHBondContact O-CD2 3.33Å; L287-F291 PolarHBondContact O-N 2.87Å; F291-L294 HydrophobicContact CD1-CD1 3.85Å; F291-L294 HydrophobicContact CE1-CD1 4.27Å; F291-L294 WeakPolarHBondContact O-CB 3.3Å; F291-L294 PolarHBondContact O-N 3.27Å; F291-R295 WeakPolarHBondContact O-CG 3.41Å; F291-R295 PolarHBondContact O-N 3.31Å
292	G	91.3	Very high	89.8	Confident	4 Å²	4	27.6 Å²	27.6	4%	0.041	15%	0.147	C	C	.	.	H	α-helix	trans	-58.2	-53.7	175.1	0	0	0	0	0	113	E288 L294 R295 R296	E288-G292 VanDerWaalsContact O-CA 3.24Å; E288-G292 WeakPolarHBondContact O-CA 3.36Å; E288-G292 PolarHBondContact O-N 3.43Å; G292-L294 VanDerWaalsContact C-N 3.34Å; G292-L294 PolarHBondContact O-N 3.06Å; G292-R295 PolarHBondContact O-N 2.87Å; G292-R296 PolarHBondContact O-N 2.87Å
293	P	91.3	Very high	90.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-57.7	-41.5	171.4	-23	31.4	0	0	0	113.4	D145 T148 I149 L289 R295 R296 L297	D145-P293 HydrophobicContact CB-CB 3.92Å; T148-P293 HydrophobicContact CG2-CG 3.84Å; I149-P293 HydrophobicContact CD1-CB 3.94Å; I149-P293 HydrophobicContact CG1-CB 3.83Å; I149-P293 HydrophobicContact CG1-CG 4.25Å; L289-P293 WeakPolarHBondContact O-CD 3.33Å; L289-P293 WeakPolarHBondContact O-CG 3.45Å; P293-R295 VanDerWaalsContact C-N 3.32Å; P293-R295 PolarHBondContact O-N 3.16Å; P293-R296 PolarHBondContact O-N 2.84Å; P293-R296 VanDerWaalsContact O-N 3.13Å; P293-L297 WeakPolarHBondContact O-CG 3.34Å; P293-L297 PolarHBondContact O-N 3.25Å
294	L	91.9	Very high	90.4	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-58.3	-42.5	176.4	-72.3	172	0	0	0	112.1	I149 F171 Y174 T255 L290 F291 G292 L297	I149-L294 HydrophobicContact CD1-CD2 3.86Å; I149-L294 HydrophobicContact CD1-CG 4.03Å; F171-L294 HydrophobicContact CD2-CD1 4.42Å; F171-L294 HydrophobicContact CE2-CD1 3.72Å; F171-L294 HydrophobicContact CZ-CD1 3.85Å; Y174-L294 HydrophobicContact CD1-CD2 3.94Å; Y174-L294 HydrophobicContact CD2-CB 4.48Å; Y174-L294 HydrophobicContact CD2-CD2 4.44Å; Y174-L294 HydrophobicContact CE1-CD2 3.61Å; Y174-L294 HydrophobicContact CE2-CB 4.02Å; Y174-L294 HydrophobicContact CE2-CD2 4.13Å; Y174-L294 WeakPolarHBondContact CE2-O 3.32Å; Y174-L294 HydrophobicContact CG-CD2 4.36Å; Y174-L294 PolarHBondContact OH-O 2.9Å; Y174-L294 VanDerWaalsContact OH-O 3.1Å; T255-L294 HydrophobicContact CG2-CB 4.09Å; L290-L294 WeakPolarHBondContact O-CG 3.25Å; F291-L294 HydrophobicContact CD1-CD1 3.85Å; F291-L294 HydrophobicContact CE1-CD1 4.27Å; F291-L294 WeakPolarHBondContact O-CB 3.3Å; F291-L294 PolarHBondContact O-N 3.27Å; G292-L294 VanDerWaalsContact C-N 3.34Å; G292-L294 PolarHBondContact O-N 3.06Å; L294-L297 HydrophobicContact CD2-CD1 4.47Å; L294-L297 PolarHBondContact O-N 3.11Å
295	R	91.1	Very high	90.6	Very high	65 Å²	65	26.8 Å²	26.8	25%	0.245	14%	0.141	C	C	.	.	H	α-helix	trans	-64	-42.4	174	-69.6	-179.8	-167.8	136.2	-2.5	112	T255 D256 E288 F291 G292 P293 L297 V298	T255-R295 HydrophobicContact CG2-CG 4.13Å; T255-R295 VanDerWaalsContact OG1-CG 3.25Å; T255-R295 WeakPolarHBondContact OG1-CG 3.38Å; T255-R295 PolarHBondContact OG1-NE 3.02Å; D256-R295 IonicContact OD1-CZ 2.72Å; D256-R295 VanDerWaalsContact OD1-CZ 3.25Å; D256-R295 IonicContact OD1-NE 2.78Å; D256-R295 PolarHBondContact OD1-NE 3.37Å; D256-R295 VanDerWaalsContact OD1-NE 3.17Å; D256-R295 IonicContact OD1-NH2 3.85Å; D256-R295 PolarHBondContact OD1-NH2 3.32Å; E288-R295 IonicContact OE2-NH1 2.71Å; F291-R295 WeakPolarHBondContact O-CG 3.41Å; F291-R295 PolarHBondContact O-N 3.31Å; G292-R295 PolarHBondContact O-N 2.87Å; P293-R295 VanDerWaalsContact C-N 3.32Å; P293-R295 PolarHBondContact O-N 3.16Å; R295-L297 VanDerWaalsContact C-N 3.29Å; R295-L297 PolarHBondContact O-N 3.17Å; R295-V298 VanDerWaalsContact O-CB 3.31Å; R295-V298 WeakPolarHBondContact O-CB 3.41Å; R295-V298 WeakPolarHBondContact O-CG2 3.22Å; R295-V298 PolarHBondContact O-N 3.05Å
296	R	90.9	Very high	90.8	Very high	106 Å²	106	26.4 Å²	26.4	40%	0.4	13%	0.133	S	C	.	.	H	α-helix	trans	-65.2	-31.6	177.4	-72.1	-166.8	-60.1	-89.7	5.8	113.3	D145 G292 P293 V298 A299 S300	D145-R296 IonicContact OD1-CZ 3.51Å; D145-R296 IonicContact OD1-NE 3.61Å; D145-R296 PolarHBondContact OD1-NE 3.48Å; D145-R296 IonicContact OD1-NH2 2.74Å; D145-R296 PolarHBondContact OD1-NH2 3.18Å; D145-R296 IonicContact OD2-NE 3.42Å; G292-R296 PolarHBondContact O-N 2.87Å; P293-R296 PolarHBondContact O-N 2.84Å; P293-R296 VanDerWaalsContact O-N 3.13Å; R296-V298 PolarHBondContact O-N 3.19Å; R296-A299 PolarHBondContact O-N 2.88Å; R296-S300 PolarHBondContact O-N 3.13Å; R296-S300 PolarHBondContact O-OG 3.39Å
297	L	90.7	Very high	91.1	Very high	9 Å²	9	26.3 Å²	26.3	5%	0.047	13%	0.133	C	C	.	.	H	α-helix	trans	-61.1	-29.2	176.6	-76.1	177.2	0	0	0	111.6	I142 D145 I149 Y174 P293 L294 R295 S300 F301	I142-L297 HydrophobicContact CB-CD2 4.21Å; I142-L297 HydrophobicContact CG1-CD2 3.81Å; I142-L297 HydrophobicContact CG2-CD2 4.05Å; D145-L297 HydrophobicContact CB-CD2 4.07Å; D145-L297 HydrophobicContact CB-CG 4.29Å; I149-L297 HydrophobicContact CD1-CD1 4.15Å; Y174-L297 WeakPolarHBondContact OH-CB 3.3Å; P293-L297 WeakPolarHBondContact O-CG 3.34Å; P293-L297 PolarHBondContact O-N 3.25Å; L294-L297 HydrophobicContact CD2-CD1 4.47Å; L294-L297 PolarHBondContact O-N 3.11Å; R295-L297 VanDerWaalsContact C-N 3.29Å; R295-L297 PolarHBondContact O-N 3.17Å; L297-S300 CarbonylContact O-C 3.51Å; L297-S300 WeakPolarHBondContact O-CA 3.47Å; L297-S300 WeakPolarHBondContact O-CB 3.33Å; L297-S300 PolarHBondContact O-N 3.3Å; L297-F301 VanDerWaalsContact C-CD2 3.5Å; L297-F301 HydrophobicContact CB-CD2 4.41Å; L297-F301 HydrophobicContact CB-CE2 3.86Å; L297-F301 HydrophobicContact CB-CZ 4.41Å; L297-F301 WeakPolarHBondContact O-CD2 3.27Å; L297-F301 VanDerWaalsContact O-CG 3.28Å; L297-F301 WeakPolarHBondContact O-CG 3.41Å; L297-F301 PolarHBondContact O-N 2.74Å
298	V	86.8	Confident	91.2	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-59	-52.5	173.8	-174.8	0	0	0	0	112.8	F248 I251 R295 R296 S300 F301 T302	F248-V298 HydrophobicContact CD2-CG1 4.05Å; I251-V298 HydrophobicContact CB-CG1 4.45Å; I251-V298 HydrophobicContact CB-CG2 3.54Å; I251-V298 HydrophobicContact CD1-CB 4.17Å; I251-V298 HydrophobicContact CD1-CG1 3.7Å; I251-V298 HydrophobicContact CD1-CG2 3.59Å; I251-V298 HydrophobicContact CG1-CG2 4.12Å; I251-V298 HydrophobicContact CG2-CG2 3.13Å; R295-V298 VanDerWaalsContact O-CB 3.31Å; R295-V298 WeakPolarHBondContact O-CB 3.41Å; R295-V298 WeakPolarHBondContact O-CG2 3.22Å; R295-V298 PolarHBondContact O-N 3.05Å; R296-V298 PolarHBondContact O-N 3.19Å; V298-S300 PolarHBondContact O-N 3.4Å; V298-F301 PolarHBondContact O-N 3.03Å; V298-T302 PolarHBondContact O-N 3.33Å; V298-T302 VanDerWaalsContact O-N 3.12Å; V298-T302 PolarHBondContact O-OG1 2.74Å
299	A	87.5	Confident	91.4	Very high	51 Å²	51	21.5 Å²	21.5	42%	0.421	11%	0.11	S	C	.	.	H	α-helix	trans	-60.4	-42.4	176.3	0	0	0	0	0	109.5	R296 F301 T302 T303	R296-A299 PolarHBondContact O-N 2.88Å; A299-F301 VanDerWaalsContact C-N 3.35Å; A299-F301 PolarHBondContact O-N 3.47Å; A299-T302 PolarHBondContact O-N 3.18Å; A299-T303 PolarHBondContact O-N 3.01Å; A299-T303 PolarHBondContact O-OG1 3.41Å
300	S	91.7	Very high	91.6	Very high	13 Å²	13	20.1 Å²	20.1	9%	0.091	10%	0.103	C	C	.	.	H	α-helix	trans	-60	-41.1	177.3	-58.9	0	0	0	0	112.9	R296 L297 V298 T303 L304	R296-S300 PolarHBondContact O-N 3.13Å; R296-S300 PolarHBondContact O-OG 3.39Å; L297-S300 CarbonylContact O-C 3.51Å; L297-S300 WeakPolarHBondContact O-CA 3.47Å; L297-S300 WeakPolarHBondContact O-CB 3.33Å; L297-S300 PolarHBondContact O-N 3.3Å; V298-S300 PolarHBondContact O-N 3.4Å; S300-T303 PolarHBondContact O-N 3.45Å; S300-L304 WeakPolarHBondContact O-CB 3.4Å; S300-L304 WeakPolarHBondContact O-CG 3.46Å; S300-L304 PolarHBondContact O-N 3.34Å
301	F	89.3	Confident	91.8	Very high	51 Å²	51	20.1 Å²	20.1	22%	0.224	10%	0.103	C	C	.	.	H	α-helix	trans	-63.7	-44.3	175.9	-70.2	-55.8	0	0	0	111.5	V178 F182 L297 V298 A299 T303 L304 T305	V178-F301 HydrophobicContact CB-CE2 4.34Å; V178-F301 HydrophobicContact CG1-CD1 4.36Å; V178-F301 HydrophobicContact CG1-CD2 3.76Å; V178-F301 HydrophobicContact CG1-CE1 4.18Å; V178-F301 HydrophobicContact CG1-CE2 3.56Å; V178-F301 HydrophobicContact CG1-CG 4.19Å; V178-F301 HydrophobicContact CG1-CZ 3.8Å; V178-F301 HydrophobicContact CG2-CD2 4.09Å; V178-F301 HydrophobicContact CG2-CE2 3.76Å; F182-F301 HydrophobicContact CD2-CD1 4.4Å; F182-F301 HydrophobicContact CE2-CD1 4.41Å; L297-F301 VanDerWaalsContact C-CD2 3.5Å; L297-F301 HydrophobicContact CB-CD2 4.41Å; L297-F301 HydrophobicContact CB-CE2 3.86Å; L297-F301 HydrophobicContact CB-CZ 4.41Å; L297-F301 WeakPolarHBondContact O-CD2 3.27Å; L297-F301 VanDerWaalsContact O-CG 3.28Å; L297-F301 WeakPolarHBondContact O-CG 3.41Å; L297-F301 PolarHBondContact O-N 2.74Å; V298-F301 PolarHBondContact O-N 3.03Å; A299-F301 VanDerWaalsContact C-N 3.35Å; A299-F301 PolarHBondContact O-N 3.47Å; F301-T303 PolarHBondContact O-N 3.42Å; F301-L304 WeakPolarHBondContact O-CB 3.06Å; F301-L304 PolarHBondContact O-N 2.98Å; F301-L304 VanDerWaalsContact O-N 3.16Å; F301-T305 WeakPolarHBondContact O-CG2 3.35Å; F301-T305 PolarHBondContact O-N 3.4Å
302	T	88.4	Confident	91.8	Very high	22 Å²	22	22 Å²	22	14%	0.135	11%	0.112	C	C	.	.	H	α-helix	trans	-60.1	-48.6	177.1	-57	0	0	0	0	110.6	N244 V298 A299 L304 T305 Q306	N244-T302 VanDerWaalsContact OD1-CG2 3.3Å; N244-T302 WeakPolarHBondContact OD1-CG2 3.44Å; N244-T302 PolarHBondContact OD1-OG1 3.17Å; N244-T302 VanDerWaalsContact OD1-OG1 3.12Å; V298-T302 PolarHBondContact O-N 3.33Å; V298-T302 VanDerWaalsContact O-N 3.12Å; V298-T302 PolarHBondContact O-OG1 2.74Å; A299-T302 PolarHBondContact O-N 3.18Å; T302-L304 VanDerWaalsContact C-N 3.28Å; T302-L304 PolarHBondContact O-N 3.31Å; T302-T305 PolarHBondContact O-N 3.4Å; T302-T305 VanDerWaalsContact O-N 3.14Å; T302-T305 PolarHBondContact O-OG1 2.93Å; T302-Q306 PolarHBondContact O-N 3.01Å; T302-Q306 VanDerWaalsContact O-N 3.08Å
303	T	92.8	Very high	91.9	Very high	43 Å²	43	21.9 Å²	21.9	26%	0.264	11%	0.111	S	C	.	.	H	α-helix	trans	-60.3	-37.8	175.2	-50.7	0	0	0	0	111.9	D133 A299 S300 F301 Q306 S307	D133-T303 HydrophobicContact CB-CG2 3.48Å; D133-T303 VanDerWaalsContact CB-CG2 3.48Å; D133-T303 WeakPolarHBondContact OD2-CG2 3.44Å; A299-T303 PolarHBondContact O-N 3.01Å; A299-T303 PolarHBondContact O-OG1 3.41Å; S300-T303 PolarHBondContact O-N 3.45Å; F301-T303 PolarHBondContact O-N 3.42Å; T303-Q306 WeakPolarHBondContact O-CB 3.49Å; T303-Q306 PolarHBondContact O-N 3.37Å; T303-S307 PolarHBondContact O-N 3.31Å
304	L	93.4	Very high	92.1	Very high	14 Å²	14	22 Å²	22	7%	0.073	11%	0.111	C	C	.	.	H	α-helix	trans	-67.3	-38.8	174.5	-81.6	-171.3	0	0	0	113.4	F134 T137 I142 S300 F301 T302 Q306 S307 F308	F134-L304 HydrophobicContact CD2-CD2 3.87Å; T137-L304 HydrophobicContact CG2-CG 4.37Å; I142-L304 HydrophobicContact CD1-CD1 3.31Å; I142-L304 HydrophobicContact CD1-CG 4.15Å; S300-L304 WeakPolarHBondContact O-CB 3.4Å; S300-L304 WeakPolarHBondContact O-CG 3.46Å; S300-L304 PolarHBondContact O-N 3.34Å; F301-L304 WeakPolarHBondContact O-CB 3.06Å; F301-L304 PolarHBondContact O-N 2.98Å; F301-L304 VanDerWaalsContact O-N 3.16Å; T302-L304 VanDerWaalsContact C-N 3.28Å; T302-L304 PolarHBondContact O-N 3.31Å; L304-Q306 PolarHBondContact O-N 2.81Å; L304-S307 PolarHBondContact O-N 2.89Å; L304-F308 HydrophobicContact CB-CD2 4.43Å; L304-F308 HydrophobicContact CB-CE2 4.16Å; L304-F308 HydrophobicContact CD1-CE2 4.49Å; L304-F308 HydrophobicContact CD2-CZ 4.5Å; L304-F308 WeakPolarHBondContact O-CB 3.33Å; L304-F308 WeakPolarHBondContact O-CD2 3.23Å; L304-F308 WeakPolarHBondContact O-CG 3.42Å; L304-F308 PolarHBondContact O-N 3.08Å
305	T	92.6	Very high	92.2	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	11%	0.112	C	C	.	.	H	α-helix	trans	-62.1	-36.6	175	65.5	0	0	0	0	111.2	F182 L185 R186 F301 T302 A309	F182-T305 HydrophobicContact CD2-CG2 3.81Å; F182-T305 HydrophobicContact CE2-CG2 3.66Å; F182-T305 HydrophobicContact CG-CG2 4.41Å; F182-T305 HydrophobicContact CZ-CG2 4.14Å; L185-T305 HydrophobicContact CB-CG2 4.17Å; R186-T305 HydrophobicContact CB-CG2 4.11Å; F301-T305 WeakPolarHBondContact O-CG2 3.35Å; F301-T305 PolarHBondContact O-N 3.4Å; T302-T305 PolarHBondContact O-N 3.4Å; T302-T305 VanDerWaalsContact O-N 3.14Å; T302-T305 PolarHBondContact O-OG1 2.93Å; T305-A309 VanDerWaalsContact O-CB 3.29Å; T305-A309 WeakPolarHBondContact O-CB 3.32Å; T305-A309 PolarHBondContact O-N 2.87Å
306	Q	92.9	Very high	92.3	Very high	16 Å²	16	23.2 Å²	23.2	8%	0.075	12%	0.12	C	C	.	.	H	α-helix	trans	-61.9	-50.6	171.2	-178.4	65	47.7	0	0	112.2	Q130 T189 R192 S193 T302 T303 L304 F308 A309 S310	Q130-Q306 HydrophobicContact CB-CG 4.39Å; Q130-Q306 HydrophobicContact CG-CG 4.36Å; T189-Q306 HydrophobicContact CG2-CB 4.07Å; T189-Q306 VanDerWaalsContact CG2-CD 3.49Å; T189-Q306 HydrophobicContact CG2-CG 4.41Å; R192-Q306 VanDerWaalsContact CZ-OE1 3.25Å; S193-Q306 PolarHBondContact OG-NE2 3.31Å; T302-Q306 PolarHBondContact O-N 3.01Å; T302-Q306 VanDerWaalsContact O-N 3.08Å; T303-Q306 WeakPolarHBondContact O-CB 3.49Å; T303-Q306 PolarHBondContact O-N 3.37Å; L304-Q306 PolarHBondContact O-N 2.81Å; Q306-F308 PolarHBondContact O-N 2.92Å; Q306-A309 PolarHBondContact O-N 2.86Å; Q306-S310 PolarHBondContact NE2-OG 3.49Å; Q306-S310 WeakPolarHBondContact O-CB 3.34Å; Q306-S310 PolarHBondContact O-N 3.45Å; Q306-S310 PolarHBondContact O-OG 2.66Å
307	S	95.2	Very high	92.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.5	-47.7	-179.2	-155.3	0	0	0	0	111.1	Q130 T131 F134 T303 L304 A309 S310 M311	Q130-S307 WeakPolarHBondContact O-CA 3.27Å; Q130-S307 WeakPolarHBondContact O-CB 3.01Å; Q130-S307 PolarHBondContact O-OG 3.27Å; T131-S307 WeakPolarHBondContact CA-OG 3.43Å; T131-S307 PolarHBondContact O-OG 3.49Å; F134-S307 VanDerWaalsContact CB-OG 3.29Å; F134-S307 WeakPolarHBondContact CB-OG 3.2Å; F134-S307 PolarHBondContact N-OG 3.43Å; T303-S307 PolarHBondContact O-N 3.31Å; L304-S307 PolarHBondContact O-N 2.89Å; S307-A309 PolarHBondContact O-N 3.22Å; S307-S310 PolarHBondContact O-N 3Å; S307-M311 WeakPolarHBondContact O-CB 3.39Å; S307-M311 WeakPolarHBondContact O-CG 3.24Å; S307-M311 PolarHBondContact O-N 2.87Å
308	F	94.6	Very high	92.5	Very high	20 Å²	20	18.7 Å²	18.7	9%	0.088	10%	0.103	C	C	.	.	H	α-helix	trans	-62.3	-42.7	177.4	-68.6	-38.9	0	0	0	113.5	M1 I2 F134 F182 L304 Q306 S310 M311 D312	M1-F308 HydrophobicContact CE-CB 3.95Å; M1-F308 HydrophobicContact CE-CD1 3.9Å; M1-F308 HydrophobicContact CE-CG 4.29Å; M1-F308 WeakPolarHBondContact CE-O 3.14Å; M1-F308 HydrophobicContact SD-CD1 4.35Å; I2-F308 HydrophobicContact CD1-CD1 4.39Å; I2-F308 HydrophobicContact CD1-CE1 3.61Å; I2-F308 HydrophobicContact CD1-CZ 3.85Å; I2-F308 HydrophobicContact CG1-CD1 4.32Å; I2-F308 HydrophobicContact CG1-CE1 3.79Å; F134-F308 HydrophobicContact CD2-CD1 4.33Å; F134-F308 AromaticContact CD2-CE1 3.47Å; F134-F308 HydrophobicContact CD2-CE1 3.47Å; F134-F308 VanDerWaalsContact CD2-CE1 3.47Å; F134-F308 AromaticContact CD2-CZ 3.92Å; F134-F308 HydrophobicContact CD2-CZ 3.92Å; F134-F308 AromaticContact CE2-CE1 3.47Å; F134-F308 HydrophobicContact CE2-CE1 3.47Å; F134-F308 VanDerWaalsContact CE2-CE1 3.47Å; F134-F308 AromaticContact CE2-CZ 3.77Å; F134-F308 HydrophobicContact CE2-CZ 3.77Å; F134-F308 HydrophobicContact CZ-CE1 4.49Å; F182-F308 HydrophobicContact CZ-CD2 4.17Å; F182-F308 HydrophobicContact CZ-CE2 4.15Å; L304-F308 HydrophobicContact CB-CD2 4.43Å; L304-F308 HydrophobicContact CB-CE2 4.16Å; L304-F308 HydrophobicContact CD1-CE2 4.49Å; L304-F308 HydrophobicContact CD2-CZ 4.5Å; L304-F308 WeakPolarHBondContact O-CB 3.33Å; L304-F308 WeakPolarHBondContact O-CD2 3.23Å; L304-F308 WeakPolarHBondContact O-CG 3.42Å; L304-F308 PolarHBondContact O-N 3.08Å; Q306-F308 PolarHBondContact O-N 2.92Å; F308-S310 VanDerWaalsContact C-N 3.27Å; F308-S310 PolarHBondContact O-N 3.29Å; F308-M311 HydrophobicContact CD1-SD 3.7Å; F308-M311 HydrophobicContact CE1-SD 4.28Å; F308-M311 PolarHBondContact O-N 3.34Å; F308-D312 VanDerWaalsContact O-CG 3.31Å; F308-D312 PolarHBondContact O-N 2.82Å
309	A	92.4	Very high	92.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-61.8	-37.8	176.5	0	0	0	0	0	112.1	T189 R190 T305 Q306 S307 R313	T189-A309 HydrophobicContact CG2-CB 4.05Å; R190-A309 HydrophobicContact CB-CB 3.94Å; T305-A309 VanDerWaalsContact O-CB 3.29Å; T305-A309 WeakPolarHBondContact O-CB 3.32Å; T305-A309 PolarHBondContact O-N 2.87Å; Q306-A309 PolarHBondContact O-N 2.86Å; S307-A309 PolarHBondContact O-N 3.22Å; A309-R313 WeakPolarHBondContact O-CG 3.41Å; A309-R313 PolarHBondContact O-N 3.45Å
310	S	94.3	Very high	92.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-74.2	-40	178.6	-47.6	0	0	0	0	111.2	D127 Q130 Q306 S307 F308 D312 R313 V314	D127-S310 WeakPolarHBondContact O-CB 3.29Å; Q130-S310 WeakPolarHBondContact CB-OG 3.31Å; Q306-S310 PolarHBondContact NE2-OG 3.49Å; Q306-S310 WeakPolarHBondContact O-CB 3.34Å; Q306-S310 PolarHBondContact O-N 3.45Å; Q306-S310 PolarHBondContact O-OG 2.66Å; S307-S310 PolarHBondContact O-N 3Å; F308-S310 VanDerWaalsContact C-N 3.27Å; F308-S310 PolarHBondContact O-N 3.29Å; S310-D312 VanDerWaalsContact C-N 3.33Å; S310-D312 PolarHBondContact O-N 3.27Å; S310-R313 WeakPolarHBondContact O-CB 3.2Å; S310-R313 PolarHBondContact O-N 3.04Å; S310-R313 VanDerWaalsContact O-N 3.16Å; S310-V314 WeakPolarHBondContact O-CG2 3.35Å; S310-V314 PolarHBondContact O-N 2.79Å
311	M	95.2	Very high	92.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.2	-42.1	171.9	-67	160.7	93.1	0	0	111.7	M1 Y5 T131 F134 S307 F308 R313 V314 F315	M1-M311 HydrophobicContact CE-CB 3.94Å; M1-M311 HydrophobicContact CG-CB 4.12Å; M1-M311 HydrophobicContact SD-CB 3.57Å; M1-M311 VanDerWaalsContact SD-CB 3.57Å; M1-M311 HydrophobicContact SD-CE 3.76Å; M1-M311 HydrophobicContact SD-CG 4.31Å; M1-M311 HydrophobicContact SD-SD 3.92Å; Y5-M311 HydrophobicContact CD1-CE 3.67Å; Y5-M311 HydrophobicContact CD2-CE 3.4Å; Y5-M311 HydrophobicContact CD2-CG 4.29Å; Y5-M311 HydrophobicContact CE1-CE 4.31Å; Y5-M311 HydrophobicContact CE2-CE 4.05Å; Y5-M311 HydrophobicContact CE2-CG 4.47Å; Y5-M311 HydrophobicContact CG-CE 3.16Å; T131-M311 HydrophobicContact CG2-CB 4.31Å; T131-M311 HydrophobicContact CG2-CG 3.5Å; T131-M311 VanDerWaalsContact CG2-CG 3.5Å; F134-M311 HydrophobicContact CB-CE 4.39Å; F134-M311 HydrophobicContact CB-SD 4.06Å; F134-M311 HydrophobicContact CD1-CE 3.96Å; F134-M311 HydrophobicContact CE1-CE 4.39Å; F134-M311 HydrophobicContact CG-CE 4.04Å; F134-M311 HydrophobicContact CG-SD 4.16Å; S307-M311 WeakPolarHBondContact O-CB 3.39Å; S307-M311 WeakPolarHBondContact O-CG 3.24Å; S307-M311 PolarHBondContact O-N 2.87Å; F308-M311 HydrophobicContact CD1-SD 3.7Å; F308-M311 HydrophobicContact CE1-SD 4.28Å; F308-M311 PolarHBondContact O-N 3.34Å; M311-R313 VanDerWaalsContact C-N 3.27Å; M311-R313 PolarHBondContact O-N 3.07Å; M311-V314 PolarHBondContact O-N 2.96Å; M311-F315 HydrophobicContact CB-CD2 4.43Å; M311-F315 WeakPolarHBondContact O-CB 3.35Å; M311-F315 WeakPolarHBondContact O-CD2 3.46Å; M311-F315 PolarHBondContact O-N 2.88Å
312	D	93.4	Very high	92.1	Very high	39 Å²	39	29.9 Å²	29.9	21%	0.209	15%	0.149	C	C	.	.	H	α-helix	trans	-57.9	-41.2	176.4	-73.1	-30.5	0	0	0	111.1	M1 R186 F308 S310 Q316	M1-D312 WeakPolarHBondContact CE-OD1 3.24Å; R186-D312 IonicContact CZ-OD2 3.17Å; R186-D312 IonicContact NE-OD2 3.41Å; R186-D312 IonicContact NH2-OD1 3.7Å; R186-D312 PolarHBondContact NH2-OD1 3.45Å; R186-D312 IonicContact NH2-OD2 3.74Å; R186-D312 PolarHBondContact NH2-OD2 3.22Å; F308-D312 VanDerWaalsContact O-CG 3.31Å; F308-D312 PolarHBondContact O-N 2.82Å; S310-D312 VanDerWaalsContact C-N 3.33Å; S310-D312 PolarHBondContact O-N 3.27Å; D312-Q316 VanDerWaalsContact O-CB 3.3Å; D312-Q316 WeakPolarHBondContact O-CB 3.39Å; D312-Q316 PolarHBondContact O-N 3.26Å
313	R	93.1	Very high	91.5	Very high	2 Å²	2	32 Å²	32	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-70.6	-41.3	177.8	-65	168.7	59.5	79.1	7.9	112.9	D127 A309 S310 M311 Q316 L317	D127-R313 VanDerWaalsContact CG-NE 3.34Å; D127-R313 IonicContact OD1-NE 3.64Å; D127-R313 PolarHBondContact OD1-NE 3.44Å; D127-R313 IonicContact OD2-CZ 3.52Å; D127-R313 IonicContact OD2-NE 3.78Å; D127-R313 PolarHBondContact OD2-NE 2.96Å; D127-R313 IonicContact OD2-NH2 3.63Å; D127-R313 PolarHBondContact OD2-NH2 3.3Å; A309-R313 WeakPolarHBondContact O-CG 3.41Å; A309-R313 PolarHBondContact O-N 3.45Å; S310-R313 WeakPolarHBondContact O-CB 3.2Å; S310-R313 PolarHBondContact O-N 3.04Å; S310-R313 VanDerWaalsContact O-N 3.16Å; M311-R313 VanDerWaalsContact C-N 3.27Å; M311-R313 PolarHBondContact O-N 3.07Å; R313-Q316 PolarHBondContact O-N 3.35Å; R313-L317 PolarHBondContact O-N 3.08Å; R313-L317 VanDerWaalsContact O-N 3.09Å
314	V	95.4	Very high	90.9	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.018	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-46.7	175	167.9	0	0	0	0	110.5	I96 L100 D127 V128 T131 S310 M311 L317 I318	I96-V314 HydrophobicContact CG2-CG1 4.18Å; L100-V314 HydrophobicContact CD1-CG1 4.09Å; D127-V314 HydrophobicContact CB-CG2 3.75Å; V128-V314 HydrophobicContact CG2-CG1 4.25Å; V128-V314 HydrophobicContact CG2-CG2 3.64Å; T131-V314 HydrophobicContact CG2-CG2 4.26Å; S310-V314 WeakPolarHBondContact O-CG2 3.35Å; S310-V314 PolarHBondContact O-N 2.79Å; M311-V314 PolarHBondContact O-N 2.96Å; V314-L317 WeakPolarHBondContact O-CB 3.24Å; V314-L317 PolarHBondContact O-N 2.91Å; V314-I318 HydrophobicContact CG1-CD1 3.88Å; V314-I318 WeakPolarHBondContact O-CG1 3.43Å; V314-I318 PolarHBondContact O-N 2.9Å
315	F	95.2	Very high	90.3	Very high	9 Å²	9	35.1 Å²	35.1	4%	0.039	17%	0.17	C	C	.	.	H	α-helix	trans	-70.7	-32.5	178.7	-78.5	-63.6	0	0	0	112.7	M1 R4 Y5 F8 M311 L317 I318 D319	M1-F315 HydrophobicContact CG-CD2 3.55Å; M1-F315 HydrophobicContact CG-CE2 4.03Å; M1-F315 HydrophobicContact CG-CG 4.49Å; R4-F315 HydrophobicContact CB-CD1 4.33Å; R4-F315 HydrophobicContact CB-CE1 3.65Å; R4-F315 HydrophobicContact CB-CE2 4.41Å; R4-F315 HydrophobicContact CB-CZ 3.71Å; Y5-F315 HydrophobicContact CD2-CE2 4.21Å; Y5-F315 HydrophobicContact CD2-CZ 4.41Å; F8-F315 HydrophobicContact CE2-CE1 4.2Å; F8-F315 HydrophobicContact CE2-CZ 4.21Å; M311-F315 HydrophobicContact CB-CD2 4.43Å; M311-F315 WeakPolarHBondContact O-CB 3.35Å; M311-F315 WeakPolarHBondContact O-CD2 3.46Å; M311-F315 PolarHBondContact O-N 2.88Å; F315-L317 PolarHBondContact O-N 3.22Å; F315-I318 HydrophobicContact CD1-CB 4.41Å; F315-I318 HydrophobicContact CD1-CD1 3.9Å; F315-I318 HydrophobicContact CE1-CD1 4.02Å; F315-I318 CarbonylContact O-C 3.54Å; F315-I318 PolarHBondContact O-N 3.12Å; F315-I318 VanDerWaalsContact O-N 3.14Å; F315-D319 WeakPolarHBondContact O-CB 3.47Å; F315-D319 PolarHBondContact O-N 2.68Å
316	Q	92.4	Very high	89.8	Confident	87 Å²	87	38.8 Å²	38.8	41%	0.407	19%	0.189	S	C	.	.	H	α-helix	trans	-58.2	-38.4	169.9	-174.7	178.2	5.4	0	0	111.6	D312 R313 E320	D312-Q316 VanDerWaalsContact O-CB 3.3Å; D312-Q316 WeakPolarHBondContact O-CB 3.39Å; D312-Q316 PolarHBondContact O-N 3.26Å; R313-Q316 PolarHBondContact O-N 3.35Å; Q316-E320 PolarHBondContact O-N 3.14Å
317	L	93.4	Very high	89.1	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-70.3	-39.6	173.2	179.8	60.1	0	0	0	112.5	L100 H103 L104 L107 F111 R123 V124 R313 V314 F315 D319 E320	L100-L317 HydrophobicContact CD2-CB 4.46Å; L100-L317 HydrophobicContact CD2-CD2 3.86Å; L100-L317 HydrophobicContact CD2-CG 4.05Å; H103-L317 PolarHBondContact CD2-O 3.49Å; H103-L317 PolarHBondContact NE2-O 3.39Å; L104-L317 HydrophobicContact CD2-CD1 4.08Å; L104-L317 HydrophobicContact CD2-CD2 4.36Å; L107-L317 HydrophobicContact CD1-CD1 4.44Å; F111-L317 HydrophobicContact CE1-CD1 4.39Å; F111-L317 HydrophobicContact CE2-CD1 4.2Å; F111-L317 HydrophobicContact CZ-CD1 3.59Å; R123-L317 HydrophobicContact CB-CD2 3.89Å; V124-L317 HydrophobicContact CG2-CD2 4.08Å; R313-L317 PolarHBondContact O-N 3.08Å; R313-L317 VanDerWaalsContact O-N 3.09Å; V314-L317 WeakPolarHBondContact O-CB 3.24Å; V314-L317 PolarHBondContact O-N 2.91Å; F315-L317 PolarHBondContact O-N 3.22Å; L317-D319 VanDerWaalsContact C-N 3.26Å; L317-D319 PolarHBondContact O-N 3.31Å; L317-E320 WeakPolarHBondContact O-CB 3.47Å; L317-E320 PolarHBondContact O-N 3.05Å
318	I	93.2	Very high	88.2	Confident	20 Å²	20	47.7 Å²	47.7	10%	0.103	25%	0.252	C	S	.	.	H	α-helix	trans	-68.1	-28.2	176.8	-66.6	169.9	0	0	0	112.1	L100 H103 V314 F315 E320	L100-I318 HydrophobicContact CD2-CD1 4.1Å; L100-I318 HydrophobicContact CD2-CG1 3.45Å; L100-I318 VanDerWaalsContact CD2-CG1 3.45Å; L100-I318 HydrophobicContact CG-CD1 4.42Å; L100-I318 HydrophobicContact CG-CG1 4.23Å; H103-I318 PolarHBondContact CE1-O 3.27Å; V314-I318 HydrophobicContact CG1-CD1 3.88Å; V314-I318 WeakPolarHBondContact O-CG1 3.43Å; V314-I318 PolarHBondContact O-N 2.9Å; F315-I318 HydrophobicContact CD1-CB 4.41Å; F315-I318 HydrophobicContact CD1-CD1 3.9Å; F315-I318 HydrophobicContact CE1-CD1 4.02Å; F315-I318 CarbonylContact O-C 3.54Å; F315-I318 PolarHBondContact O-N 3.12Å; F315-I318 VanDerWaalsContact O-N 3.14Å; I318-E320 VanDerWaalsContact C-N 3.31Å
319	D	92.2	Very high	87.6	Confident	93 Å²	93	49.5 Å²	49.5	50%	0.497	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-6	179.5	-70.5	-31.5	0	0	0	112.7	R4 F315 L317 D321	R4-D319 IonicContact CZ-OD1 2.58Å; R4-D319 IonicContact CZ-OD2 2.96Å; R4-D319 IonicContact NH1-OD1 2.74Å; R4-D319 PolarHBondContact NH1-OD1 3.37Å; R4-D319 IonicContact NH1-OD2 3.67Å; R4-D319 PolarHBondContact NH1-OD2 3.25Å; R4-D319 IonicContact NH2-OD1 3.25Å; R4-D319 PolarHBondContact NH2-OD1 3.39Å; R4-D319 IonicContact NH2-OD2 2.66Å; F315-D319 WeakPolarHBondContact O-CB 3.47Å; F315-D319 PolarHBondContact O-N 2.68Å; L317-D319 VanDerWaalsContact C-N 3.26Å; L317-D319 PolarHBondContact O-N 3.31Å; D319-D321 PolarHBondContact O-N 2.77Å
320	E	90.1	Very high	87.3	Confident	79 Å²	79	50.1 Å²	50.1	37%	0.369	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-59.4	123.7	171	-166.8	70.8	-166.1	0	0	108	H103 L107 F111 Q316 L317 I318	H103-E320 PolarHBondContact CE1-O 3.17Å; H103-E320 PolarHBondContact NE2-O 3.43Å; L107-E320 HydrophobicContact CD1-CB 4.47Å; L107-E320 HydrophobicContact CD1-CG 4.36Å; L107-E320 HydrophobicContact CD2-CB 4.01Å; L107-E320 HydrophobicContact CD2-CG 3.79Å; F111-E320 HydrophobicContact CD2-CG 3.61Å; F111-E320 HydrophobicContact CE2-CG 3.79Å; Q316-E320 PolarHBondContact O-N 3.14Å; L317-E320 WeakPolarHBondContact O-CB 3.47Å; L317-E320 PolarHBondContact O-N 3.05Å; I318-E320 VanDerWaalsContact C-N 3.31Å
321	D	83.5	Confident	87.1	Confident	98 Å²	98	55.5 Å²	55.5	52%	0.524	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-77.1	153.4	-175.6	-155.7	7.5	0	0	0	110.7	D319 D323 K325	D319-D321 PolarHBondContact O-N 2.77Å; D321-D323 PolarHBondContact O-N 3.23Å; D321-K325 WeakPolarHBondContact OD1-CE 3.4Å; D321-K325 IonicContact OD1-NZ 3.94Å; D321-K325 PolarHBondContact OD1-NZ 3.34Å; D321-K325 IonicContact OD2-NZ 2.66Å; D321-K325 PolarHBondContact OD2-NZ 3.39Å
322	Y	80.5	Confident	86.9	Confident	81 Å²	81	59.6 Å²	59.6	32%	0.318	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-79.2	119.7	171	-50.6	-61.5	0	0	0	108.6	H103 A106 L107 I324 K325	H103-Y322 AromaticContact CE1-CE1 3.39Å; H103-Y322 WeakPolarHBondContact CE1-CE1 3.43Å; H103-Y322 AromaticContact CE1-CZ 3.66Å; H103-Y322 AromaticContact ND1-CE1 3.15Å; H103-Y322 WeakPolarHBondContact ND1-CE1 2.93Å; H103-Y322 AromaticContact ND1-CZ 3.22Å; H103-Y322 PolarHBondContact ND1-OH 3.29Å; A106-Y322 HydrophobicContact CB-CD1 3.76Å; A106-Y322 HydrophobicContact CB-CE1 3.35Å; A106-Y322 WeakPolarHBondContact O-CD1 2.89Å; L107-Y322 HydrophobicContact CD2-CD1 4.02Å; L107-Y322 HydrophobicContact CD2-CE1 4.36Å; Y322-I324 PolarHBondContact O-N 3.5Å; Y322-K325 WeakPolarHBondContact O-CE 3.48Å
323	D	76.8	Confident	86.8	Confident	66 Å²	66	59.4 Å²	59.4	35%	0.353	33%	0.332	S	S	.	.	S	Bend	trans	-61.1	-32.1	171.7	-66.7	-38.3	0	0	0	111.3	S108 R110 D321	S108-D323 VanDerWaalsContact CB-OD2 3.29Å; S108-D323 WeakPolarHBondContact CB-OD2 3.38Å; S108-D323 PolarHBondContact OG-OD2 2.81Å; R110-D323 VanDerWaalsContact CB-OD2 3.31Å; R110-D323 WeakPolarHBondContact CB-OD2 3.36Å; R110-D323 IonicContact NE-OD2 3.03Å; R110-D323 IonicContact NH1-OD1 3.17Å; D321-D323 PolarHBondContact O-N 3.23Å
324	I	79.5	Confident	86.8	Confident	20 Å²	20	66.2 Å²	66.2	10%	0.103	36%	0.364	C	S	.	.	S	Bend	trans	-113.4	109.8	-179.5	-62.1	154.8	0	0	0	108.7	Y322 R389 F390 T410	Y322-I324 PolarHBondContact O-N 3.5Å; I324-R389 WeakPolarHBondContact CD1-O 3.42Å; I324-R389 HydrophobicContact CG2-CG 4.35Å; I324-F390 VanDerWaalsContact CD1-C 3.43Å; I324-F390 WeakPolarHBondContact CD1-O 3.44Å; I324-T410 HydrophobicContact CG2-CG2 4.39Å
325	K	80	Confident	86.7	Confident	103 Å²	103	66.5 Å²	66.5	45%	0.448	37%	0.365	S	S	.	.			trans	-110.5	137.1	171.1	-65.5	173.9	-174.2	166.5	0	108.8	D321 Y322 G327 R389	D321-K325 WeakPolarHBondContact OD1-CE 3.4Å; D321-K325 IonicContact OD1-NZ 3.94Å; D321-K325 PolarHBondContact OD1-NZ 3.34Å; D321-K325 IonicContact OD2-NZ 2.66Å; D321-K325 PolarHBondContact OD2-NZ 3.39Å; Y322-K325 WeakPolarHBondContact O-CE 3.48Å; K325-G327 PolarHBondContact O-N 2.67Å; K325-R389 PolarHBondContact O-NH2 2.8Å
326	N	82.5	Confident	86.4	Confident	78 Å²	78	74 Å²	74	42%	0.417	40%	0.398	S	S	.	.			trans	-60.7	127.1	163.6	-67	-29.8	0	0	0	107.5	A330 L409 T410	N326-A330 HydrophobicContact CB-CB 3.97Å; N326-L409 HydrophobicContact CB-CD2 4.28Å; N326-T410 WeakPolarHBondContact OD1-CB 3.42Å; N326-T410 PolarHBondContact OD1-N 2.97Å; N326-T410 PolarHBondContact OD1-OG1 3.33Å
327	G	77.7	Confident	86.3	Confident	39 Å²	39	75.1 Å²	75.1	40%	0.402	40%	0.403	S	S	.	.			trans	-61.4	160.3	177	0	0	0	0	0	111.8	K325 G329 A330	K325-G327 PolarHBondContact O-N 2.67Å; G327-G329 PolarHBondContact O-N 3.34Å; G327-A330 WeakPolarHBondContact O-CB 3.22Å; G327-A330 PolarHBondContact O-N 3.37Å; G327-A330 VanDerWaalsContact O-N 3.09Å
328	V	77.5	Confident	86.3	Confident	165 Å²	165	75.1 Å²	75.1	100%	1	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	110.4	170.1	179.8	0	0	0	0	107.6
329	G	81.3	Confident	86.4	Confident	57 Å²	57	77.8 Å²	77.8	59%	0.588	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.8	1.5	-178	0	0	0	0	0	115.7	G327 Q331	G327-G329 PolarHBondContact O-N 3.34Å; G329-Q331 WeakPolarHBondContact O-CG 3.48Å; G329-Q331 PolarHBondContact O-N 2.91Å; G329-Q331 PolarHBondContact O-NE2 3.49Å
330	A	87	Confident	86.7	Confident	14 Å²	14	73.4 Å²	73.4	12%	0.116	39%	0.388	C	S	.	.			trans	-55	132.9	176.2	0	0	0	0	0	112.1	N326 G327 D407 L409	N326-A330 HydrophobicContact CB-CB 3.97Å; G327-A330 WeakPolarHBondContact O-CB 3.22Å; G327-A330 PolarHBondContact O-N 3.37Å; G327-A330 VanDerWaalsContact O-N 3.09Å; A330-D407 CarbonylContact C-O 3.59Å; A330-D407 WeakPolarHBondContact CA-O 2.97Å; A330-L409 HydrophobicContact CB-CD2 4.01Å
331	Q	90.2	Very high	87	Confident	113 Å²	113	70.6 Å²	70.6	53%	0.528	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-117.2	155.3	-173.9	-62.8	-56.2	-43.1	0	0	112	G329 I333 D407 F408 L409	G329-Q331 WeakPolarHBondContact O-CG 3.48Å; G329-Q331 PolarHBondContact O-N 2.91Å; G329-Q331 PolarHBondContact O-NE2 3.49Å; Q331-I333 VanDerWaalsContact C-N 3.28Å; Q331-I333 HydrophobicContact CB-CG1 3.98Å; Q331-I333 PolarHBondContact O-N 3.47Å; Q331-D407 PolarHBondContact N-O 3.4Å; Q331-F408 WeakPolarHBondContact O-CA 3.42Å; Q331-L409 PolarHBondContact O-N 2.96Å
332	P	90.6	Very high	87.7	Confident	86 Å²	86	66.1 Å²	66.1	56%	0.558	35%	0.352	S	S	*	.			trans	-74	83.6	166.7	31	-31.5	0	0	0	109.4	L409 S412	P332-L409 HydrophobicContact CB-CD1 4.1Å; P332-L409 HydrophobicContact CG-CD1 4.3Å; P332-S412 WeakPolarHBondContact CA-OG 3.21Å
333	I	90.6	Very high	88.5	Confident	34 Å²	34	65 Å²	65	17%	0.174	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-85.2	128.5	179.8	-57.8	170.5	0	0	0	108.9	Q331 H403 D407 F408 S412 Q416	Q331-I333 VanDerWaalsContact C-N 3.28Å; Q331-I333 HydrophobicContact CB-CG1 3.98Å; Q331-I333 PolarHBondContact O-N 3.47Å; I333-H403 HydrophobicContact CD1-CB 4.26Å; I333-D407 HydrophobicContact CD1-CB 4.39Å; I333-F408 HydrophobicContact CB-CD1 3.7Å; I333-F408 HydrophobicContact CB-CE1 3.49Å; I333-F408 VanDerWaalsContact CB-CE1 3.49Å; I333-F408 HydrophobicContact CB-CG 4.3Å; I333-F408 HydrophobicContact CB-CZ 3.94Å; I333-F408 HydrophobicContact CD1-CD2 4.13Å; I333-F408 HydrophobicContact CD1-CE2 4.15Å; I333-F408 HydrophobicContact CD1-CG 4.36Å; I333-F408 HydrophobicContact CD1-CZ 4.37Å; I333-F408 HydrophobicContact CG2-CD1 4.37Å; I333-F408 HydrophobicContact CG2-CE1 3.65Å; I333-F408 HydrophobicContact CG2-CZ 3.74Å; I333-F408 WeakPolarHBondContact O-CE1 3.49Å; I333-S412 PolarHBondContact O-OG 3.27Å; I333-Q416 PolarHBondContact O-NE2 3.26Å
334	E	93.1	Very high	89.4	Confident	145 Å²	145	66.3 Å²	66.3	68%	0.678	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-85.7	127.9	174	-172.5	-179.3	-169.5	0	0	110.3
335	I	92.9	Very high	90.3	Very high	10 Å²	10	65.4 Å²	65.4	5%	0.051	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-81.5	118.9	175.7	-60.3	172.7	0	0	0	107.6	I400 F408 L413 Q416 P497 I498	I335-I400 HydrophobicContact CB-CG2 4.46Å; I335-I400 HydrophobicContact CD1-CD1 4.29Å; I335-I400 HydrophobicContact CD1-CG2 3.86Å; I335-I400 HydrophobicContact CG1-CG2 3.86Å; I335-I400 HydrophobicContact CG2-CG2 3.82Å; I335-F408 HydrophobicContact CD1-CE1 4.43Å; I335-F408 HydrophobicContact CG1-CE1 3.93Å; I335-F408 HydrophobicContact CG1-CZ 4.41Å; I335-L413 HydrophobicContact CD1-CD1 4.37Å; I335-Q416 HydrophobicContact CD1-CB 3.76Å; I335-Q416 HydrophobicContact CG1-CB 4.42Å; I335-P497 HydrophobicContact CB-CG 4.07Å; I335-P497 HydrophobicContact CG2-CB 4.44Å; I335-P497 HydrophobicContact CG2-CG 3.95Å; I335-I498 HydrophobicContact CD1-CD1 3.97Å; I335-I498 HydrophobicContact CG2-CD1 4.21Å
336	K	90.6	Very high	91	Very high	166 Å²	166	61.5 Å²	61.5	72%	0.722	34%	0.336	S	S	*	.	S	Bend	trans	-102.5	-39.6	-174.9	-64.7	-177	-179.9	179.7	0	112.6	D401	K336-D401 PolarHBondContact N-OD2 2.9Å
337	Q	89.8	Confident	91.6	Very high	111 Å²	111	57.9 Å²	57.9	52%	0.519	32%	0.317	S	S	.	.	S	Bend	trans	-108.3	-30.8	-175.3	-64.6	-176.2	-10.8	0	0	111.5	R339 K366 D401	Q337-R339 VanDerWaalsContact C-N 3.28Å; Q337-K366 HydrophobicContact CB-CB 4.27Å; Q337-K366 HydrophobicContact CB-CD 3.93Å; Q337-K366 HydrophobicContact CB-CG 4.44Å; Q337-K366 HydrophobicContact CG-CD 4.2Å; Q337-K366 WeakPolarHBondContact O-CB 3.34Å; Q337-K366 WeakPolarHBondContact O-CG 3.46Å; Q337-D401 WeakPolarHBondContact CB-OD1 3.33Å; Q337-D401 PolarHBondContact N-OD2 3.46Å
338	G	92.1	Very high	92.3	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.307	C	S	.	.			trans	72.1	22.7	-177.1	0	0	0	0	0	113	D401 T528	G338-D401 PolarHBondContact N-OD1 2.96Å; G338-D401 PolarHBondContact N-OD2 3.26Å; G338-T528 WeakPolarHBondContact O-CB 3.39Å; G338-T528 VanDerWaalsContact O-CG2 3.32Å; G338-T528 WeakPolarHBondContact O-CG2 3.47Å; G338-T528 PolarHBondContact O-OG1 3.38Å
339	R	96.2	Very high	92.7	Very high	76 Å²	76	52.8 Å²	52.8	29%	0.287	27%	0.27	S	S	.	.			trans	-71.4	135	172.1	174.3	-176.8	167.3	121.2	6.5	108.8	Q337 D341 I364 E365 I400 D401	Q337-R339 VanDerWaalsContact C-N 3.28Å; R339-D341 IonicContact CZ-OD1 2.63Å; R339-D341 IonicContact CZ-OD2 3.3Å; R339-D341 IonicContact NE-OD1 3Å; R339-D341 IonicContact NE-OD2 3.6Å; R339-D341 PolarHBondContact NE-OD2 3.49Å; R339-D341 IonicContact NH2-OD1 3.71Å; R339-D341 PolarHBondContact NH2-OD1 3.35Å; R339-D341 IonicContact NH2-OD2 2.72Å; R339-D341 PolarHBondContact NH2-OD2 3.33Å; R339-I364 WeakPolarHBondContact CA-O 3.45Å; R339-I364 WeakPolarHBondContact CG-O 3.4Å; R339-E365 IonicContact CZ-OE1 2.95Å; R339-E365 IonicContact CZ-OE2 2.72Å; R339-E365 IonicContact NH1-OE1 3.61Å; R339-E365 PolarHBondContact NH1-OE1 3.26Å; R339-E365 VanDerWaalsContact NH1-OE1 3.09Å; R339-E365 IonicContact NH1-OE2 3.49Å; R339-E365 PolarHBondContact NH1-OE2 3.42Å; R339-E365 IonicContact NH2-OE1 3.5Å; R339-I400 CarbonylContact O-C 3.51Å; R339-I400 VanDerWaalsContact O-CA 3.26Å; R339-I400 WeakPolarHBondContact O-CA 3.37Å; R339-D401 PolarHBondContact N-OD1 3.46Å; R339-D401 PolarHBondContact O-N 3.35Å
340	I	97.5	Very high	92.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	124	-179.9	-50	177.9	0	0	0	109.2	I342 I364 I387 I398 L399 I400 I498 T528 L530	I340-I342 HydrophobicContact CG2-CG1 4.25Å; I340-I364 HydrophobicContact CB-CB 4.17Å; I340-I364 HydrophobicContact CB-CD1 4.43Å; I340-I364 PolarHBondContact N-O 2.96Å; I340-I364 PolarHBondContact O-N 3.47Å; I340-I387 HydrophobicContact CD1-CG2 4.25Å; I340-I398 HydrophobicContact CG2-CG2 4.07Å; I340-L399 CarbonylContact C-O 3.58Å; I340-L399 WeakPolarHBondContact CA-O 3.39Å; I340-I400 HydrophobicContact CG1-CG1 4.38Å; I340-I498 HydrophobicContact CD1-CD1 4.07Å; I340-I498 HydrophobicContact CD1-CG2 3.98Å; I340-I498 HydrophobicContact CG1-CD1 4.16Å; I340-T528 HydrophobicContact CD1-CG2 4.32Å; I340-L530 HydrophobicContact CD1-CD1 3.7Å; I340-L530 HydrophobicContact CD1-CD2 4.31Å
341	D	97.7	Very high	92.6	Very high	21 Å²	21	58.1 Å²	58.1	11%	0.112	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.1	172.9	-61.9	-75.2	0	0	0	109.2	R339 S363 I398 L399	R339-D341 IonicContact CZ-OD1 2.63Å; R339-D341 IonicContact CZ-OD2 3.3Å; R339-D341 IonicContact NE-OD1 3Å; R339-D341 IonicContact NE-OD2 3.6Å; R339-D341 PolarHBondContact NE-OD2 3.49Å; R339-D341 IonicContact NH2-OD1 3.71Å; R339-D341 PolarHBondContact NH2-OD1 3.35Å; R339-D341 IonicContact NH2-OD2 2.72Å; R339-D341 PolarHBondContact NH2-OD2 3.33Å; D341-S363 VanDerWaalsContact OD1-CB 3.3Å; D341-S363 WeakPolarHBondContact OD1-CB 3.42Å; D341-S363 PolarHBondContact OD1-OG 3.45Å; D341-I398 CarbonylContact O-C 3.56Å; D341-I398 WeakPolarHBondContact O-CA 2.88Å; D341-L399 HydrophobicContact CB-CB 4.23Å; D341-L399 HydrophobicContact CB-CD1 4.34Å; D341-L399 PolarHBondContact N-O 3.21Å; D341-L399 PolarHBondContact O-N 3.26Å
342	I	97.4	Very high	92.4	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.4	174.9	-53.6	-175.2	0	0	0	106.6	I340 V345 I360 N361 L362 L383 I398	I340-I342 HydrophobicContact CG2-CG1 4.25Å; I342-V345 HydrophobicContact CG2-CB 3.67Å; I342-V345 HydrophobicContact CG2-CG1 4.46Å; I342-V345 HydrophobicContact CG2-CG2 3.51Å; I342-I360 HydrophobicContact CG2-CB 4.41Å; I342-I360 HydrophobicContact CG2-CG2 3.96Å; I342-N361 CarbonylContact O-C 3.02Å; I342-N361 VanDerWaalsContact O-CA 3.32Å; I342-N361 WeakPolarHBondContact O-CA 3.36Å; I342-L362 HydrophobicContact CB-CB 4.24Å; I342-L362 WeakPolarHBondContact CB-O 3.28Å; I342-L362 HydrophobicContact CD1-CB 4.45Å; I342-L362 HydrophobicContact CD1-CD2 4.4Å; I342-L362 PolarHBondContact N-O 3.41Å; I342-L362 PolarHBondContact O-N 3.45Å; I342-L383 HydrophobicContact CD1-CD1 3.88Å; I342-L383 HydrophobicContact CD1-CD2 4.49Å; I342-L383 HydrophobicContact CD1-CG 4.35Å; I342-I398 HydrophobicContact CG2-CG1 4.49Å
343	D	97	Very high	92.2	Very high	56 Å²	56	61 Å²	61	30%	0.299	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	109.2	-168.8	177.1	29.4	0	0	0	110.4	V345 G396 Q397	D343-V345 VanDerWaalsContact C-N 3.25Å; D343-V345 PolarHBondContact O-N 3.38Å; D343-V345 VanDerWaalsContact O-N 3.16Å; D343-G396 CarbonylContact O-C 3.52Å; D343-G396 WeakPolarHBondContact O-CA 3.45Å; D343-Q397 HydrophobicContact CB-CG 3.9Å; D343-Q397 PolarHBondContact N-O 2.64Å; D343-Q397 PolarHBondContact O-N 3.06Å; D343-Q397 PolarHBondContact OD2-NE2 2.7Å
344	H	96.9	Very high	92.1	Very high	95 Å²	95	63 Å²	63	44%	0.44	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.6	41.4	179.4	-69.9	-74.1	0	0	0	114.6	S346 D359 I360 N361 G396	H344-S346 PolarHBondContact O-N 3.02Å; H344-D359 WeakPolarHBondContact CA-OD1 3.46Å; H344-D359 VanDerWaalsContact CB-OD1 3.29Å; H344-D359 WeakPolarHBondContact CB-OD1 3.28Å; H344-D359 IonicContact CE1-OD1 3.46Å; H344-D359 IonicContact CE1-OD2 2.77Å; H344-D359 IonicContact CG-OD1 3.29Å; H344-D359 IonicContact ND1-OD1 3.81Å; H344-D359 PolarHBondContact ND1-OD1 3.04Å; H344-D359 IonicContact ND1-OD2 2.7Å; H344-D359 PolarHBondContact ND1-OD2 2.93Å; H344-I360 PolarHBondContact N-O 3.06Å; H344-N361 PolarHBondContact CE1-ND2 3.01Å; H344-N361 PolarHBondContact N-OD1 2.98Å; H344-N361 PolarHBondContact ND1-ND2 3.18Å; H344-N361 VanDerWaalsContact ND1-ND2 3.14Å; H344-G396 VanDerWaalsContact O-CA 3.26Å; H344-G396 WeakPolarHBondContact O-CA 3.45Å; H344-G396 PolarHBondContact O-N 3.09Å
345	V	97.1	Very high	92	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.7	-172.6	169.2	0	0	0	0	111.8	I342 D343 D359 I360 L386 V393 S395 Q397 I398	I342-V345 HydrophobicContact CG2-CB 3.67Å; I342-V345 HydrophobicContact CG2-CG1 4.46Å; I342-V345 HydrophobicContact CG2-CG2 3.51Å; D343-V345 VanDerWaalsContact C-N 3.25Å; D343-V345 PolarHBondContact O-N 3.38Å; D343-V345 VanDerWaalsContact O-N 3.16Å; V345-D359 PolarHBondContact O-N 3.22Å; V345-I360 HydrophobicContact CB-CB 4.43Å; V345-I360 PolarHBondContact N-O 2.93Å; V345-I360 PolarHBondContact O-N 3.1Å; V345-L386 HydrophobicContact CG1-CD1 4.15Å; V345-V393 HydrophobicContact CG1-CB 4.16Å; V345-V393 HydrophobicContact CG1-CG1 3.61Å; V345-V393 HydrophobicContact CG2-CG1 4.22Å; V345-S395 WeakPolarHBondContact CA-O 3.34Å; V345-Q397 VanDerWaalsContact CG2-O 3.28Å; V345-Q397 WeakPolarHBondContact CG2-O 3.49Å; V345-I398 HydrophobicContact CG2-CG1 3.89Å
346	S	96.1	Very high	92	Very high	22 Å²	22	60.5 Å²	60.5	15%	0.154	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	149.2	166.1	-53.8	0	0	0	0	110.8	H344 L357 D359 T394 S395	H344-S346 PolarHBondContact O-N 3.02Å; S346-L357 CarbonylContact C-O 3.58Å; S346-L357 VanDerWaalsContact CA-O 3.23Å; S346-L357 WeakPolarHBondContact CA-O 3.41Å; S346-L357 WeakPolarHBondContact CB-O 3.26Å; S346-D359 PolarHBondContact OG-N 3.02Å; S346-T394 WeakPolarHBondContact O-CA 3.39Å; S346-T394 WeakPolarHBondContact O-CB 3.08Å; S346-T394 PolarHBondContact O-N 2.84Å; S346-S395 VanDerWaalsContact CB-OG 3.29Å; S346-S395 WeakPolarHBondContact CB-OG 3.38Å; S346-S395 PolarHBondContact N-O 3.16Å; S346-S395 PolarHBondContact O-N 2.82Å; S346-S395 PolarHBondContact OG-OG 3.25Å
347	F	94.8	Very high	92.3	Very high	1 Å²	1	52.6 Å²	52.6	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	139.3	-177.7	-179.9	-100.5	0	0	0	113.6	Y349 P355 I356 L357 T382 L386 Y391 D392 T394	F347-Y349 AromaticContact CE1-CD1 3.68Å; F347-Y349 HydrophobicContact CE1-CD1 3.68Å; F347-Y349 HydrophobicContact CE1-CD2 4.19Å; F347-Y349 AromaticContact CE1-CE1 3.7Å; F347-Y349 HydrophobicContact CE1-CE1 3.7Å; F347-Y349 HydrophobicContact CE1-CE2 4.2Å; F347-Y349 AromaticContact CE1-CG 3.9Å; F347-Y349 HydrophobicContact CE1-CG 3.9Å; F347-Y349 AromaticContact CE1-CZ 3.95Å; F347-Y349 AromaticContact CZ-CD1 3.75Å; F347-Y349 HydrophobicContact CZ-CD1 3.75Å; F347-Y349 AromaticContact CZ-CE1 3.98Å; F347-Y349 HydrophobicContact CZ-CE1 3.98Å; F347-Y349 HydrophobicContact CZ-CG 4.26Å; F347-P355 CarbonylContact O-C 3.56Å; F347-P355 WeakPolarHBondContact O-CA 3.15Å; F347-I356 PolarHBondContact O-N 3.37Å; F347-L357 HydrophobicContact CB-CB 4.19Å; F347-L357 HydrophobicContact CB-CD1 4.25Å; F347-L357 PolarHBondContact N-O 3.46Å; F347-L357 PolarHBondContact O-N 2.98Å; F347-T382 HydrophobicContact CD1-CG2 3.32Å; F347-T382 HydrophobicContact CE1-CG2 3.62Å; F347-T382 HydrophobicContact CG-CG2 4.35Å; F347-L386 HydrophobicContact CB-CD1 4.03Å; F347-L386 HydrophobicContact CD2-CD2 3.64Å; F347-L386 HydrophobicContact CE2-CD2 3.9Å; F347-L386 HydrophobicContact CG-CD1 4.22Å; F347-L386 HydrophobicContact CG-CD2 3.97Å; F347-L386 HydrophobicContact CZ-CD2 4.43Å; F347-Y391 HydrophobicContact CE2-CG 4.27Å; F347-Y391 AromaticContact CZ-CD1 3.99Å; F347-Y391 HydrophobicContact CZ-CD1 3.99Å; F347-Y391 AromaticContact CZ-CG 3.8Å; F347-Y391 HydrophobicContact CZ-CG 3.8Å; F347-D392 WeakPolarHBondContact CD2-O 3.37Å; F347-D392 WeakPolarHBondContact CE2-O 3.47Å; F347-T394 WeakPolarHBondContact CA-OG1 3.35Å
348	Q	91	Very high	92.6	Very high	40 Å²	40	51 Å²	51	19%	0.187	27%	0.267	C	S	.	.			trans	-133.5	144.3	168.5	70	-166.4	17.9	0	0	110.4	D351 T394	Q348-D351 PolarHBondContact NE2-OD1 3.25Å; Q348-T394 HydrophobicContact CG-CG2 4.45Å; Q348-T394 PolarHBondContact N-OG1 3.32Å; Q348-T394 VanDerWaalsContact N-OG1 3.15Å
349	Y	87.2	Confident	92.7	Very high	57 Å²	57	55 Å²	55	22%	0.224	29%	0.288	C	S	.	.	S	Bend	trans	-72.3	-40.1	179.3	-78.1	-70.3	0	0	0	112.4	R110 F347 I356 T382 Y391	R110-Y349 PolarHBondContact NE-O 3.01Å; R110-Y349 PolarHBondContact NH2-O 3.02Å; F347-Y349 AromaticContact CE1-CD1 3.68Å; F347-Y349 HydrophobicContact CE1-CD1 3.68Å; F347-Y349 HydrophobicContact CE1-CD2 4.19Å; F347-Y349 AromaticContact CE1-CE1 3.7Å; F347-Y349 HydrophobicContact CE1-CE1 3.7Å; F347-Y349 HydrophobicContact CE1-CE2 4.2Å; F347-Y349 AromaticContact CE1-CG 3.9Å; F347-Y349 HydrophobicContact CE1-CG 3.9Å; F347-Y349 AromaticContact CE1-CZ 3.95Å; F347-Y349 AromaticContact CZ-CD1 3.75Å; F347-Y349 HydrophobicContact CZ-CD1 3.75Å; F347-Y349 AromaticContact CZ-CE1 3.98Å; F347-Y349 HydrophobicContact CZ-CE1 3.98Å; F347-Y349 HydrophobicContact CZ-CG 4.26Å; Y349-I356 HydrophobicContact CD2-CD1 3.23Å; Y349-I356 HydrophobicContact CE2-CD1 3.24Å; Y349-I356 HydrophobicContact CG-CD1 4.47Å; Y349-T382 HydrophobicContact CE2-CG2 4.41Å; Y349-T382 PolarHBondContact OH-OG1 3.21Å; Y349-Y391 HydrophobicContact CD1-CD1 4.19Å; Y349-Y391 AromaticContact CD1-CE1 3.82Å; Y349-Y391 HydrophobicContact CD1-CE1 3.82Å; Y349-Y391 HydrophobicContact CE1-CD1 4.23Å; Y349-Y391 HydrophobicContact CE1-CD2 4.32Å; Y349-Y391 AromaticContact CE1-CE1 3.79Å; Y349-Y391 HydrophobicContact CE1-CE1 3.79Å; Y349-Y391 AromaticContact CE1-CE2 3.92Å; Y349-Y391 HydrophobicContact CE1-CE2 3.92Å; Y349-Y391 HydrophobicContact CE1-CG 4.47Å; Y349-Y391 AromaticContact CE1-CZ 3.63Å
350	N	84.8	Confident	92.7	Very high	43 Å²	43	51.5 Å²	51.5	23%	0.23	28%	0.275	C	S	.	.	S	Bend	trans	-133.5	152.4	179.1	-62.5	-53.4	0	0	0	110.1	N352 E353	N350-N352 PolarHBondContact O-N 3.03Å; N350-N352 VanDerWaalsContact O-N 3.11Å; N350-E353 HydrophobicContact CB-CG 4.1Å; N350-E353 PolarHBondContact ND2-OE1 3.3Å; N350-E353 PolarHBondContact O-N 3.42Å
351	D	81.9	Confident	92.6	Very high	141 Å²	141	54.9 Å²	54.9	75%	0.754	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.5	-177.4	-65	-28.9	0	0	0	114.4	Q348	Q348-D351 PolarHBondContact NE2-OD1 3.25Å
352	N	84.3	Confident	92.6	Very high	166 Å²	166	54.5 Å²	54.5	89%	0.888	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	3.7	-179.9	-58.6	-27.3	0	0	0	112.9	N350	N350-N352 PolarHBondContact O-N 3.03Å; N350-N352 VanDerWaalsContact O-N 3.11Å
353	E	86.5	Confident	92.6	Very high	93 Å²	93	56.9 Å²	56.9	44%	0.435	31%	0.308	S	S	.	.	S	Bend	trans	-108.6	157.6	-178	-70.8	173	-165	0	0	111.4	N350	N350-E353 HydrophobicContact CB-CG 4.1Å; N350-E353 PolarHBondContact ND2-OE1 3.3Å; N350-E353 PolarHBondContact O-N 3.42Å
354	A	89.5	Confident	92.5	Very high	76 Å²	76	54.2 Å²	54.2	63%	0.628	29%	0.294	S	S	*	.			trans	-70.6	148.9	174.8	0	0	0	0	0	111.1	I356	A354-I356 PolarHBondContact O-N 2.94Å
355	P	91.2	Very high	92.5	Very high	55 Å²	55	53.8 Å²	53.8	36%	0.357	29%	0.292	S	S	.	.			trans	-64.3	130.7	175.5	25.8	-33.5	0	0	0	111	F347 K358	F347-P355 CarbonylContact O-C 3.56Å; F347-P355 WeakPolarHBondContact O-CA 3.15Å; P355-K358 HydrophobicContact CB-CG 4.15Å; P355-K358 HydrophobicContact CG-CG 4.11Å; P355-K358 WeakPolarHBondContact O-CE 3.4Å
356	I	93.3	Very high	92.3	Very high	47 Å²	47	60.1 Å²	60.1	24%	0.241	32%	0.32	C	S	.	.	S	Bend	trans	-84.9	-35.8	177.3	-66.5	175.2	0	0	0	110.5	F347 Y349 A354 T382 G551	F347-I356 PolarHBondContact O-N 3.37Å; Y349-I356 HydrophobicContact CD2-CD1 3.23Å; Y349-I356 HydrophobicContact CE2-CD1 3.24Å; Y349-I356 HydrophobicContact CG-CD1 4.47Å; A354-I356 PolarHBondContact O-N 2.94Å; I356-T382 HydrophobicContact CG2-CG2 4.15Å; I356-G551 WeakPolarHBondContact O-CA 3.48Å
357	L	95.5	Very high	92.2	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.2	173.3	-61.8	174	0	0	0	108.7	S346 F347 I360 T382 L383 L386	S346-L357 CarbonylContact C-O 3.58Å; S346-L357 VanDerWaalsContact CA-O 3.23Å; S346-L357 WeakPolarHBondContact CA-O 3.41Å; S346-L357 WeakPolarHBondContact CB-O 3.26Å; F347-L357 HydrophobicContact CB-CB 4.19Å; F347-L357 HydrophobicContact CB-CD1 4.25Å; F347-L357 PolarHBondContact N-O 3.46Å; F347-L357 PolarHBondContact O-N 2.98Å; L357-I360 HydrophobicContact CB-CG1 4.04Å; L357-I360 HydrophobicContact CD2-CG1 4.23Å; L357-T382 HydrophobicContact CD1-CG2 3.98Å; L357-T382 HydrophobicContact CG-CG2 4.27Å; L357-L383 HydrophobicContact CD1-CB 3.98Å; L357-L383 HydrophobicContact CD1-CD1 3.96Å; L357-L383 HydrophobicContact CD2-CB 4.44Å; L357-L386 HydrophobicContact CD1-CD1 3.57Å
358	K	95.6	Very high	92.2	Very high	78 Å²	78	61.6 Å²	61.6	34%	0.339	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	108.3	-172.3	-65.2	165.2	-174.8	163.4	0	108.9	P355 I360 N550 G551 H552	P355-K358 HydrophobicContact CB-CG 4.15Å; P355-K358 HydrophobicContact CG-CG 4.11Å; P355-K358 WeakPolarHBondContact O-CE 3.4Å; K358-I360 VanDerWaalsContact C-N 3.33Å; K358-I360 PolarHBondContact O-N 3.4Å; K358-N550 PolarHBondContact NZ-O 3.34Å; K358-G551 PolarHBondContact N-O 2.8Å; K358-H552 WeakPolarHBondContact CB-NE2 3.31Å; K358-H552 WeakPolarHBondContact CD-CE1 3.36Å; K358-H552 PolarHBondContact O-CD2 3.49Å
359	D	94.9	Very high	92.3	Very high	85 Å²	85	61 Å²	61	46%	0.455	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.9	46.7	173.1	-160.4	41.4	0	0	0	114.7	H344 V345 S346 N361	H344-D359 WeakPolarHBondContact CA-OD1 3.46Å; H344-D359 VanDerWaalsContact CB-OD1 3.29Å; H344-D359 WeakPolarHBondContact CB-OD1 3.28Å; H344-D359 IonicContact CE1-OD1 3.46Å; H344-D359 IonicContact CE1-OD2 2.77Å; H344-D359 IonicContact CG-OD1 3.29Å; H344-D359 IonicContact ND1-OD1 3.81Å; H344-D359 PolarHBondContact ND1-OD1 3.04Å; H344-D359 IonicContact ND1-OD2 2.7Å; H344-D359 PolarHBondContact ND1-OD2 2.93Å; V345-D359 PolarHBondContact O-N 3.22Å; S346-D359 PolarHBondContact OG-N 3.02Å; D359-N361 PolarHBondContact O-N 2.96Å; D359-N361 PolarHBondContact O-ND2 3.32Å
360	I	96.4	Very high	92.7	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.6	-179.2	-58.8	-58.8	0	0	0	110.3	I342 H344 V345 L357 K358 L383 G551 I553	I342-I360 HydrophobicContact CG2-CB 4.41Å; I342-I360 HydrophobicContact CG2-CG2 3.96Å; H344-I360 PolarHBondContact N-O 3.06Å; V345-I360 HydrophobicContact CB-CB 4.43Å; V345-I360 PolarHBondContact N-O 2.93Å; V345-I360 PolarHBondContact O-N 3.1Å; L357-I360 HydrophobicContact CB-CG1 4.04Å; L357-I360 HydrophobicContact CD2-CG1 4.23Å; K358-I360 VanDerWaalsContact C-N 3.33Å; K358-I360 PolarHBondContact O-N 3.4Å; I360-L383 HydrophobicContact CG2-CD1 4.25Å; I360-G551 WeakPolarHBondContact CD1-O 3.3Å; I360-I553 HydrophobicContact CD1-CG1 4.22Å; I360-I553 HydrophobicContact CG2-CD1 3.72Å; I360-I553 HydrophobicContact CG2-CG1 4.3Å
361	N	96.4	Very high	93.1	Very high	70 Å²	70	56.2 Å²	56.2	37%	0.374	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.1	173.5	-73.9	-78.2	0	0	0	109.9	I342 H344 D359 I553	I342-N361 CarbonylContact O-C 3.02Å; I342-N361 VanDerWaalsContact O-CA 3.32Å; I342-N361 WeakPolarHBondContact O-CA 3.36Å; H344-N361 PolarHBondContact CE1-ND2 3.01Å; H344-N361 PolarHBondContact N-OD1 2.98Å; H344-N361 PolarHBondContact ND1-ND2 3.18Å; H344-N361 VanDerWaalsContact ND1-ND2 3.14Å; D359-N361 PolarHBondContact O-N 2.96Å; D359-N361 PolarHBondContact O-ND2 3.32Å; N361-I553 WeakPolarHBondContact O-CD1 3.19Å
362	L	96.4	Very high	93.6	Very high	13 Å²	13	49.5 Å²	49.5	7%	0.068	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	127.7	-179	179.6	65.5	0	0	0	111.3	I342 I364 F372 K544 V546 I553	I342-L362 HydrophobicContact CB-CB 4.24Å; I342-L362 WeakPolarHBondContact CB-O 3.28Å; I342-L362 HydrophobicContact CD1-CB 4.45Å; I342-L362 HydrophobicContact CD1-CD2 4.4Å; I342-L362 PolarHBondContact N-O 3.41Å; I342-L362 PolarHBondContact O-N 3.45Å; L362-I364 HydrophobicContact CD2-CD1 4.15Å; L362-I364 HydrophobicContact CD2-CG1 4.15Å; L362-I364 HydrophobicContact CG-CG1 4.11Å; L362-F372 HydrophobicContact CD2-CE1 3.57Å; L362-F372 HydrophobicContact CD2-CZ 3.72Å; L362-K544 HydrophobicContact CD1-CD 4.33Å; L362-V546 HydrophobicContact CD1-CG2 3.77Å; L362-V546 HydrophobicContact CD2-CG2 4.06Å; L362-I553 HydrophobicContact CB-CD1 3.96Å
363	S	96.8	Very high	93.9	Very high	54 Å²	54	41.9 Å²	41.9	38%	0.378	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	131.2	169	-68.2	0	0	0	0	110.6	D341 K544	D341-S363 VanDerWaalsContact OD1-CB 3.3Å; D341-S363 WeakPolarHBondContact OD1-CB 3.42Å; D341-S363 PolarHBondContact OD1-OG 3.45Å; S363-K544 PolarHBondContact O-NZ 2.86Å
364	I	96.7	Very high	94	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.4	178	-53.1	-179	0	0	0	107.7	R339 I340 L362 E368 V370 F372 T528 L530	R339-I364 WeakPolarHBondContact CA-O 3.45Å; R339-I364 WeakPolarHBondContact CG-O 3.4Å; I340-I364 HydrophobicContact CB-CB 4.17Å; I340-I364 HydrophobicContact CB-CD1 4.43Å; I340-I364 PolarHBondContact N-O 2.96Å; I340-I364 PolarHBondContact O-N 3.47Å; L362-I364 HydrophobicContact CD2-CD1 4.15Å; L362-I364 HydrophobicContact CD2-CG1 4.15Å; L362-I364 HydrophobicContact CG-CG1 4.11Å; I364-E368 WeakPolarHBondContact CA-OE2 3.26Å; I364-E368 HydrophobicContact CG2-CB 4.19Å; I364-V370 HydrophobicContact CB-CG2 4.26Å; I364-V370 HydrophobicContact CD1-CB 4.38Å; I364-V370 HydrophobicContact CD1-CG2 4.17Å; I364-V370 HydrophobicContact CG1-CG2 4Å; I364-V370 HydrophobicContact CG2-CG2 3.54Å; I364-F372 HydrophobicContact CD1-CZ 4.43Å; I364-T528 HydrophobicContact CG2-CG2 3.51Å; I364-L530 HydrophobicContact CD1-CD2 3.57Å; I364-L530 HydrophobicContact CD1-CG 4Å
365	E	96	Very high	93.8	Very high	86 Å²	86	40.5 Å²	40.5	40%	0.402	22%	0.218	S	C	.	.			trans	-78.4	162.9	-177.6	-64.8	-60.7	156.7	0	0	111.8	R339 G367 E368	R339-E365 IonicContact CZ-OE1 2.95Å; R339-E365 IonicContact CZ-OE2 2.72Å; R339-E365 IonicContact NH1-OE1 3.61Å; R339-E365 PolarHBondContact NH1-OE1 3.26Å; R339-E365 VanDerWaalsContact NH1-OE1 3.09Å; R339-E365 IonicContact NH1-OE2 3.49Å; R339-E365 PolarHBondContact NH1-OE2 3.42Å; R339-E365 IonicContact NH2-OE1 3.5Å; E365-G367 PolarHBondContact O-N 3.06Å; E365-E368 HydrophobicContact CB-CB 4.37Å; E365-E368 PolarHBondContact N-OE2 3.26Å; E365-E368 WeakPolarHBondContact O-CB 3.43Å; E365-E368 PolarHBondContact O-N 3.24Å; E365-E368 VanDerWaalsContact O-N 3.16Å
366	K	94	Very high	93.5	Very high	134 Å²	134	43.2 Å²	43.2	58%	0.583	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	128.5	177.2	163.3	173.4	-175	-173.8	0	110.8	Q337 E368	Q337-K366 HydrophobicContact CB-CB 4.27Å; Q337-K366 HydrophobicContact CB-CD 3.93Å; Q337-K366 HydrophobicContact CB-CG 4.44Å; Q337-K366 HydrophobicContact CG-CD 4.2Å; Q337-K366 WeakPolarHBondContact O-CB 3.34Å; Q337-K366 WeakPolarHBondContact O-CG 3.46Å; K366-E368 PolarHBondContact O-N 3.12Å
367	G	92.3	Very high	93	Very high	29 Å²	29	44.4 Å²	44.4	30%	0.299	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	74	4.5	174.9	0	0	0	0	0	113.9	E365 R527 T528	E365-G367 PolarHBondContact O-N 3.06Å; G367-R527 CarbonylContact C-O 3.58Å; G367-T528 PolarHBondContact N-OG1 2.94Å
368	E	94.6	Very high	92.6	Very high	25 Å²	25	44.7 Å²	44.7	12%	0.117	26%	0.264	C	S	.	.			trans	-76.1	136.7	179.5	-169.3	179	-158.5	0	0	110.5	I364 E365 K366 V370 T529 D543 K544	I364-E368 WeakPolarHBondContact CA-OE2 3.26Å; I364-E368 HydrophobicContact CG2-CB 4.19Å; E365-E368 HydrophobicContact CB-CB 4.37Å; E365-E368 PolarHBondContact N-OE2 3.26Å; E365-E368 WeakPolarHBondContact O-CB 3.43Å; E365-E368 PolarHBondContact O-N 3.24Å; E365-E368 VanDerWaalsContact O-N 3.16Å; K366-E368 PolarHBondContact O-N 3.12Å; E368-V370 HydrophobicContact CB-CG2 4.49Å; E368-V370 HydrophobicContact CG-CG2 3.91Å; E368-T529 PolarHBondContact O-N 3.1Å; E368-D543 HydrophobicContact CG-CB 3.8Å; E368-K544 VanDerWaalsContact OE1-CB 3.3Å; E368-K544 WeakPolarHBondContact OE1-CB 3.44Å; E368-K544 WeakPolarHBondContact OE1-CE 3.43Å; E368-K544 IonicContact OE1-NZ 3.41Å; E368-K544 PolarHBondContact OE1-NZ 3.18Å; E368-K544 IonicContact OE2-NZ 3.97Å; E368-K544 PolarHBondContact OE2-NZ 3.26Å
369	T	94.1	Very high	92.4	Very high	26 Å²	26	41.1 Å²	41.1	16%	0.16	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	113.1	170.1	-59.5	0	0	0	0	110	T529 I531 A542 D543 K544	T369-T529 CarbonylContact C-O 3.58Å; T369-T529 WeakPolarHBondContact CA-O 2.9Å; T369-T529 HydrophobicContact CG2-CG2 4.43Å; T369-I531 HydrophobicContact CG2-CD1 3.66Å; T369-I531 HydrophobicContact CG2-CG1 4.28Å; T369-A542 HydrophobicContact CG2-CB 4.36Å; T369-D543 PolarHBondContact N-OD2 2.95Å; T369-D543 PolarHBondContact O-N 3.43Å; T369-K544 PolarHBondContact O-N 3.3Å
370	V	94.9	Very high	92.2	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.3	-177.4	-174.6	0	0	0	0	110.9	I364 E368 F372 T529 L530 I531 K544 V546	I364-V370 HydrophobicContact CB-CG2 4.26Å; I364-V370 HydrophobicContact CD1-CB 4.38Å; I364-V370 HydrophobicContact CD1-CG2 4.17Å; I364-V370 HydrophobicContact CG1-CG2 4Å; I364-V370 HydrophobicContact CG2-CG2 3.54Å; E368-V370 HydrophobicContact CB-CG2 4.49Å; E368-V370 HydrophobicContact CG-CG2 3.91Å; V370-F372 HydrophobicContact CG1-CE2 4.24Å; V370-F372 HydrophobicContact CG1-CZ 4.09Å; V370-T529 PolarHBondContact N-O 3.43Å; V370-L530 WeakPolarHBondContact O-CA 3.34Å; V370-I531 PolarHBondContact O-N 3.49Å; V370-K544 CarbonylContact C-O 3.58Å; V370-K544 VanDerWaalsContact CA-O 3.28Å; V370-K544 WeakPolarHBondContact CA-O 3.39Å; V370-K544 HydrophobicContact CG1-CD 4.47Å; V370-K544 HydrophobicContact CG1-CG 4.5Å; V370-K544 HydrophobicContact CG2-CB 4.26Å; V370-K544 HydrophobicContact CG2-CD 4.4Å; V370-V546 HydrophobicContact CG1-CG2 3.72Å
371	A	93.4	Very high	91.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.9	176.5	0	0	0	0	0	111.8	I531 I539 A542 K544 I545 V546	A371-I531 CarbonylContact C-O 3.55Å; A371-I531 WeakPolarHBondContact CA-O 3.28Å; A371-I539 HydrophobicContact CB-CG2 4.26Å; A371-A542 HydrophobicContact CB-CB 3.67Å; A371-K544 PolarHBondContact N-O 3.11Å; A371-I545 HydrophobicContact CB-CG1 4.4Å; A371-I545 CarbonylContact O-C 3.39Å; A371-I545 WeakPolarHBondContact O-CA 3.27Å; A371-V546 PolarHBondContact O-N 2.98Å
372	F	93.5	Very high	91.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	121.4	172.5	-61.9	-80	0	0	0	110.4	L362 I364 V370 K380 L383 I384 L530 I531 V532 V546 I548	L362-F372 HydrophobicContact CD2-CE1 3.57Å; L362-F372 HydrophobicContact CD2-CZ 3.72Å; I364-F372 HydrophobicContact CD1-CZ 4.43Å; V370-F372 HydrophobicContact CG1-CE2 4.24Å; V370-F372 HydrophobicContact CG1-CZ 4.09Å; F372-K380 HydrophobicContact CB-CB 4.5Å; F372-L383 HydrophobicContact CD1-CD2 4.03Å; F372-L383 HydrophobicContact CE1-CD2 3.53Å; F372-L383 HydrophobicContact CZ-CD2 4.08Å; F372-I384 HydrophobicContact CD2-CG2 4.21Å; F372-I384 HydrophobicContact CE2-CG2 4.29Å; F372-L530 HydrophobicContact CE2-CB 4.02Å; F372-L530 HydrophobicContact CE2-CD2 3.8Å; F372-L530 HydrophobicContact CE2-CG 4.22Å; F372-L530 HydrophobicContact CZ-CD2 4.15Å; F372-I531 PolarHBondContact N-O 3.29Å; F372-V532 HydrophobicContact CB-CG2 4.32Å; F372-V546 WeakPolarHBondContact CA-O 3.45Å; F372-V546 HydrophobicContact CD1-CB 3.84Å; F372-V546 HydrophobicContact CD1-CG1 4.01Å; F372-V546 HydrophobicContact CE1-CB 4.03Å; F372-V546 HydrophobicContact CE1-CG1 4.09Å; F372-V546 HydrophobicContact CE1-CG2 4.3Å; F372-I548 HydrophobicContact CD1-CD1 3.65Å; F372-I548 HydrophobicContact CD1-CG1 4.38Å; F372-I548 HydrophobicContact CE1-CD1 4.32Å; F372-I548 HydrophobicContact CG-CD1 4.47Å
373	V	90.2	Very high	91.6	Very high	7 Å²	7	36 Å²	36	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	157.9	-178.2	-58.1	0	0	0	0	110.3	I539 I545 V546 V547 I548 Y569	V373-I539 HydrophobicContact CG1-CD1 3.5Å; V373-I539 VanDerWaalsContact CG1-CD1 3.5Å; V373-I539 HydrophobicContact CG1-CG1 3.81Å; V373-I539 HydrophobicContact CG1-CG2 3.97Å; V373-I545 HydrophobicContact CG1-CG2 4.26Å; V373-I545 HydrophobicContact CG2-CG2 3.67Å; V373-V546 PolarHBondContact N-O 3.49Å; V373-V547 HydrophobicContact CG2-CB 4.2Å; V373-V547 HydrophobicContact CG2-CG1 4.37Å; V373-V547 HydrophobicContact CG2-CG2 3.72Å; V373-V547 CarbonylContact O-C 3.59Å; V373-V547 WeakPolarHBondContact O-CA 3.39Å; V373-I548 PolarHBondContact O-N 3.2Å; V373-Y569 HydrophobicContact CG2-CD2 4.01Å; V373-Y569 HydrophobicContact CG2-CE2 4.36Å
374	G	88.8	Confident	91.4	Very high	11 Å²	11	33.5 Å²	33.5	11%	0.113	21%	0.208	C	C	.	.			trans	147.3	170.9	-177.7	0	0	0	0	0	112.3	K380	G374-K380 PolarHBondContact O-NZ 3.4Å
375	M	85.2	Confident	91.2	Very high	129 Å²	129	34.7 Å²	34.7	64%	0.635	22%	0.215	S	C	*	.	S	Bend	trans	-59.6	157.5	180	-58.4	-177.2	86.6	0	0	112.1	G378 K380	M375-G378 PolarHBondContact O-N 3.09Å; M375-K380 PolarHBondContact O-NZ 3.02Å
376	S	83.8	Confident	91.2	Very high	112 Å²	112	30.6 Å²	30.6	78%	0.783	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	141.7	171.1	-172.3	0	0	0	0	110.1	G378	S376-G378 PolarHBondContact O-N 3.47Å
377	G	84.1	Confident	91.2	Very high	71 Å²	71	24.2 Å²	24.2	73%	0.732	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	1.7	-174.8	0	0	0	0	0	115.5	G379	G377-G379 PolarHBondContact O-N 3.18Å
378	G	85.9	Confident	91.3	Very high	6 Å²	6	23 Å²	23	6%	0.062	15%	0.154	C	C	.	.	S	Bend	trans	-66.1	-14.4	178.6	0	0	0	0	0	115.5	M375 S376 I548 G551	M375-G378 PolarHBondContact O-N 3.09Å; S376-G378 PolarHBondContact O-N 3.47Å; G378-I548 WeakPolarHBondContact O-CG2 3.16Å; G378-G551 PolarHBondContact O-N 2.86Å
379	G	90.9	Very high	91.2	Very high	4 Å²	4	22 Å²	22	4%	0.041	15%	0.15	C	C	.	.	S	Bend	trans	108	4.5	179.7	0	0	0	0	0	115.6	G377 T382 L383	G377-G379 PolarHBondContact O-N 3.18Å; G379-T382 WeakPolarHBondContact O-CB 3.33Å; G379-T382 PolarHBondContact O-N 3.09Å; G379-L383 PolarHBondContact O-N 3.5Å
380	K	91.7	Very high	91	Very high	9 Å²	9	23.1 Å²	23.1	4%	0.039	15%	0.153	C	C	.	.	H	α-helix	trans	-55.5	-59.7	-177.8	-51.8	-176.5	-60	-81.4	0	113.3	F372 G374 M375 T382 L383 I384 V532 I548	F372-K380 HydrophobicContact CB-CB 4.5Å; G374-K380 PolarHBondContact O-NZ 3.4Å; M375-K380 PolarHBondContact O-NZ 3.02Å; K380-T382 PolarHBondContact O-N 3.02Å; K380-L383 WeakPolarHBondContact O-CB 3.31Å; K380-L383 PolarHBondContact O-N 3.45Å; K380-L383 VanDerWaalsContact O-N 3.1Å; K380-I384 PolarHBondContact O-N 3.26Å; K380-V532 HydrophobicContact CB-CG1 3.96Å; K380-V532 HydrophobicContact CB-CG2 4.28Å; K380-V532 HydrophobicContact CD-CG1 4.2Å; K380-I548 HydrophobicContact CG-CB 4.43Å; K380-I548 HydrophobicContact CG-CD1 4.49Å
381	S	90.1	Very high	90.8	Very high	40 Å²	40	24.5 Å²	24.5	28%	0.28	16%	0.158	S	C	.	.	H	α-helix	trans	-64.1	-29.7	179	-49.2	0	0	0	0	111.9	I384 N385 D502	S381-I384 VanDerWaalsContact O-CG1 3.22Å; S381-I384 WeakPolarHBondContact O-CG1 3.45Å; S381-N385 WeakPolarHBondContact O-CB 3.41Å; S381-N385 VanDerWaalsContact O-CG 3.26Å; S381-N385 PolarHBondContact O-N 3.49Å; S381-N385 PolarHBondContact O-ND2 3Å; S381-D502 PolarHBondContact OG-OD1 3.27Å
382	T	91.9	Very high	90.6	Very high	14 Å²	14	26.6 Å²	26.6	9%	0.086	17%	0.169	C	C	.	.	H	α-helix	trans	-64.7	-46.5	172.9	-54.2	0	0	0	0	110.8	F347 Y349 I356 L357 G379 K380 N385 L386	F347-T382 HydrophobicContact CD1-CG2 3.32Å; F347-T382 HydrophobicContact CE1-CG2 3.62Å; F347-T382 HydrophobicContact CG-CG2 4.35Å; Y349-T382 HydrophobicContact CE2-CG2 4.41Å; Y349-T382 PolarHBondContact OH-OG1 3.21Å; I356-T382 HydrophobicContact CG2-CG2 4.15Å; L357-T382 HydrophobicContact CD1-CG2 3.98Å; L357-T382 HydrophobicContact CG-CG2 4.27Å; G379-T382 WeakPolarHBondContact O-CB 3.33Å; G379-T382 PolarHBondContact O-N 3.09Å; K380-T382 PolarHBondContact O-N 3.02Å; T382-N385 PolarHBondContact O-N 2.77Å; T382-L386 WeakPolarHBondContact O-CG 3.25Å; T382-L386 PolarHBondContact O-N 3.37Å
383	L	94.6	Very high	90.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60	-49.3	-179.2	-177.1	62.7	0	0	0	112	I342 L357 I360 F372 G379 K380 N385 L386 I548	I342-L383 HydrophobicContact CD1-CD1 3.88Å; I342-L383 HydrophobicContact CD1-CD2 4.49Å; I342-L383 HydrophobicContact CD1-CG 4.35Å; L357-L383 HydrophobicContact CD1-CB 3.98Å; L357-L383 HydrophobicContact CD1-CD1 3.96Å; L357-L383 HydrophobicContact CD2-CB 4.44Å; I360-L383 HydrophobicContact CG2-CD1 4.25Å; F372-L383 HydrophobicContact CD1-CD2 4.03Å; F372-L383 HydrophobicContact CE1-CD2 3.53Å; F372-L383 HydrophobicContact CZ-CD2 4.08Å; G379-L383 PolarHBondContact O-N 3.5Å; K380-L383 WeakPolarHBondContact O-CB 3.31Å; K380-L383 PolarHBondContact O-N 3.45Å; K380-L383 VanDerWaalsContact O-N 3.1Å; L383-N385 VanDerWaalsContact C-N 3.27Å; L383-N385 PolarHBondContact O-N 2.83Å; L383-L386 WeakPolarHBondContact O-CB 3.24Å; L383-L386 PolarHBondContact O-N 3.07Å; L383-I548 HydrophobicContact CD2-CD1 3.7Å
384	I	93.5	Very high	90.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-64.8	-30.5	-180	58.6	162.9	0	0	0	112.8	F372 K380 S381 L386 I387 P388 I500 D502 V532	F372-I384 HydrophobicContact CD2-CG2 4.21Å; F372-I384 HydrophobicContact CE2-CG2 4.29Å; K380-I384 PolarHBondContact O-N 3.26Å; S381-I384 VanDerWaalsContact O-CG1 3.22Å; S381-I384 WeakPolarHBondContact O-CG1 3.45Å; I384-L386 VanDerWaalsContact C-N 3.26Å; I384-L386 PolarHBondContact O-N 2.96Å; I384-I387 PolarHBondContact O-N 3.35Å; I384-P388 WeakPolarHBondContact O-CD 3.2Å; I384-I500 HydrophobicContact CB-CG2 3.75Å; I384-I500 HydrophobicContact CD1-CG2 3.77Å; I384-I500 HydrophobicContact CG1-CG2 4.28Å; I384-I500 HydrophobicContact CG2-CG2 4.2Å; I384-D502 HydrophobicContact CD1-CB 3.55Å; I384-D502 VanDerWaalsContact CD1-CG 3.42Å; I384-V532 HydrophobicContact CD1-CG2 3.7Å; I384-V532 HydrophobicContact CG1-CG2 4.21Å; I384-V532 HydrophobicContact CG2-CG2 3.8Å
385	N	92.5	Very high	91	Very high	25 Å²	25	32.8 Å²	32.8	13%	0.134	21%	0.207	C	C	.	.	H	α-helix	trans	-73.8	-15.1	178.7	-80	-43.8	0	0	0	113.4	S381 T382 L383 F390 Y391	S381-N385 WeakPolarHBondContact O-CB 3.41Å; S381-N385 VanDerWaalsContact O-CG 3.26Å; S381-N385 PolarHBondContact O-N 3.49Å; S381-N385 PolarHBondContact O-ND2 3Å; T382-N385 PolarHBondContact O-N 2.77Å; L383-N385 VanDerWaalsContact C-N 3.27Å; L383-N385 PolarHBondContact O-N 2.83Å; N385-F390 HydrophobicContact CB-CD2 4.36Å; N385-F390 WeakPolarHBondContact O-CB 3.42Å; N385-F390 PolarHBondContact O-N 3.2Å; N385-F390 VanDerWaalsContact O-N 3.17Å; N385-F390 WeakPolarHBondContact OD1-CD2 3.28Å; N385-Y391 HydrophobicContact CB-CD2 4.36Å; N385-Y391 HydrophobicContact CB-CE2 4.47Å
386	L	94.2	Very high	91.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-76.7	-27.6	174.3	-63.7	168.5	0	0	0	112.3	V345 F347 L357 T382 L383 I384 R389 V393 I398 I405	V345-L386 HydrophobicContact CG1-CD1 4.15Å; F347-L386 HydrophobicContact CB-CD1 4.03Å; F347-L386 HydrophobicContact CD2-CD2 3.64Å; F347-L386 HydrophobicContact CE2-CD2 3.9Å; F347-L386 HydrophobicContact CG-CD1 4.22Å; F347-L386 HydrophobicContact CG-CD2 3.97Å; F347-L386 HydrophobicContact CZ-CD2 4.43Å; L357-L386 HydrophobicContact CD1-CD1 3.57Å; T382-L386 WeakPolarHBondContact O-CG 3.25Å; T382-L386 PolarHBondContact O-N 3.37Å; L383-L386 WeakPolarHBondContact O-CB 3.24Å; L383-L386 PolarHBondContact O-N 3.07Å; I384-L386 VanDerWaalsContact C-N 3.26Å; I384-L386 PolarHBondContact O-N 2.96Å; L386-R389 WeakPolarHBondContact O-CA 3.45Å; L386-R389 PolarHBondContact O-N 2.95Å; L386-V393 HydrophobicContact CD1-CG1 4.21Å; L386-V393 HydrophobicContact CD2-CG1 4.27Å; L386-I398 HydrophobicContact CB-CD1 3.66Å; L386-I405 WeakPolarHBondContact O-CD1 3.4Å
387	I	95.4	Very high	92.1	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-50.5	-177.1	-57.7	172.2	0	0	0	112.9	I340 I384 R389 I400 I417 I500 L530	I340-I387 HydrophobicContact CD1-CG2 4.25Å; I384-I387 PolarHBondContact O-N 3.35Å; I387-R389 PolarHBondContact O-N 3.03Å; I387-I400 HydrophobicContact CG2-CD1 4.48Å; I387-I417 HydrophobicContact CG2-CD1 4.09Å; I387-I500 HydrophobicContact CB-CD1 4.02Å; I387-I500 HydrophobicContact CD1-CD1 4.45Å; I387-I500 HydrophobicContact CG2-CD1 4.19Å; I387-L530 HydrophobicContact CD1-CD2 3.21Å
388	P	93.5	Very high	92.7	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.019	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	6.3	171.6	33.2	-36.4	0	0	0	112.5	I384 F390 R414 I417 I500	I384-P388 WeakPolarHBondContact O-CD 3.2Å; P388-F390 HydrophobicContact CB-CD1 4.31Å; P388-F390 HydrophobicContact CB-CE1 3.98Å; P388-F390 HydrophobicContact CB-CE2 4.27Å; P388-F390 HydrophobicContact CB-CZ 3.96Å; P388-F390 HydrophobicContact CG-CD1 4.21Å; P388-F390 HydrophobicContact CG-CD2 3.69Å; P388-F390 HydrophobicContact CG-CE1 4.12Å; P388-F390 HydrophobicContact CG-CE2 3.59Å; P388-F390 HydrophobicContact CG-CG 4Å; P388-F390 HydrophobicContact CG-CZ 3.81Å; P388-F390 PolarHBondContact O-N 3.15Å; P388-R414 HydrophobicContact CB-CG 4.48Å; P388-R414 WeakPolarHBondContact O-CG 3.42Å; P388-R414 PolarHBondContact O-NE 3.25Å; P388-I417 HydrophobicContact CB-CD1 4.18Å; P388-I417 HydrophobicContact CB-CG2 4.46Å; P388-I500 HydrophobicContact CG-CD1 4.45Å
389	R	92.8	Very high	93.2	Very high	6 Å²	6	24.1 Å²	24.1	2%	0.023	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	53	-179.2	-161.1	-179.7	174	-156	-9.5	110.6	I324 K325 L386 I387 Y391 D392 I405 K406 L413 R414	I324-R389 WeakPolarHBondContact CD1-O 3.42Å; I324-R389 HydrophobicContact CG2-CG 4.35Å; K325-R389 PolarHBondContact O-NH2 2.8Å; L386-R389 WeakPolarHBondContact O-CA 3.45Å; L386-R389 PolarHBondContact O-N 2.95Å; I387-R389 PolarHBondContact O-N 3.03Å; R389-Y391 VanDerWaalsContact C-N 3.28Å; R389-D392 VanDerWaalsContact CG-OD1 3.27Å; R389-D392 WeakPolarHBondContact CG-OD1 3.32Å; R389-D392 IonicContact CZ-OD1 3.69Å; R389-D392 IonicContact CZ-OD2 2.73Å; R389-D392 IonicContact NE-OD1 2.74Å; R389-D392 PolarHBondContact NE-OD1 3.12Å; R389-D392 IonicContact NE-OD2 3.63Å; R389-D392 IonicContact NH2-OD1 3.43Å; R389-D392 PolarHBondContact NH2-OD1 3.46Å; R389-D392 IonicContact NH2-OD2 2.61Å; R389-D392 PolarHBondContact NH2-OD2 3.22Å; R389-D392 VanDerWaalsContact NH2-OD2 3.11Å; R389-I405 HydrophobicContact CB-CD1 4.3Å; R389-I405 HydrophobicContact CG-CD1 4.41Å; R389-K406 PolarHBondContact NH1-O 3.46Å; R389-L413 HydrophobicContact CB-CD2 3.8Å; R389-R414 PolarHBondContact O-NH2 3.13Å
390	F	89.7	Confident	93.5	Very high	49 Å²	49	23.9 Å²	23.9	22%	0.215	14%	0.14	C	C	.	.	S	Bend	trans	-79.1	-19.8	166.3	-62.8	-29.2	0	0	0	112.1	I324 N385 P388 L419	I324-F390 VanDerWaalsContact CD1-C 3.43Å; I324-F390 WeakPolarHBondContact CD1-O 3.44Å; N385-F390 HydrophobicContact CB-CD2 4.36Å; N385-F390 WeakPolarHBondContact O-CB 3.42Å; N385-F390 PolarHBondContact O-N 3.2Å; N385-F390 VanDerWaalsContact O-N 3.17Å; N385-F390 WeakPolarHBondContact OD1-CD2 3.28Å; P388-F390 HydrophobicContact CB-CD1 4.31Å; P388-F390 HydrophobicContact CB-CE1 3.98Å; P388-F390 HydrophobicContact CB-CE2 4.27Å; P388-F390 HydrophobicContact CB-CZ 3.96Å; P388-F390 HydrophobicContact CG-CD1 4.21Å; P388-F390 HydrophobicContact CG-CD2 3.69Å; P388-F390 HydrophobicContact CG-CE1 4.12Å; P388-F390 HydrophobicContact CG-CE2 3.59Å; P388-F390 HydrophobicContact CG-CG 4Å; P388-F390 HydrophobicContact CG-CZ 3.81Å; P388-F390 PolarHBondContact O-N 3.15Å; F390-L419 HydrophobicContact CE2-CD2 3.52Å; F390-L419 HydrophobicContact CZ-CD2 3.81Å
391	Y	90.3	Very high	93.7	Very high	28 Å²	28	25.1 Å²	25.1	11%	0.11	15%	0.147	C	C	.	.	S	Bend	trans	-137.7	150.2	167.1	-54.6	-89.8	0	0	0	108.6	A109 R110 F347 Y349 N385 R389	A109-Y391 HydrophobicContact CB-CE2 4.42Å; A109-Y391 WeakPolarHBondContact CB-OH 3.49Å; R110-Y391 HydrophobicContact CB-CE1 3.96Å; F347-Y391 HydrophobicContact CE2-CG 4.27Å; F347-Y391 AromaticContact CZ-CD1 3.99Å; F347-Y391 HydrophobicContact CZ-CD1 3.99Å; F347-Y391 AromaticContact CZ-CG 3.8Å; F347-Y391 HydrophobicContact CZ-CG 3.8Å; Y349-Y391 HydrophobicContact CD1-CD1 4.19Å; Y349-Y391 AromaticContact CD1-CE1 3.82Å; Y349-Y391 HydrophobicContact CD1-CE1 3.82Å; Y349-Y391 HydrophobicContact CE1-CD1 4.23Å; Y349-Y391 HydrophobicContact CE1-CD2 4.32Å; Y349-Y391 AromaticContact CE1-CE1 3.79Å; Y349-Y391 HydrophobicContact CE1-CE1 3.79Å; Y349-Y391 AromaticContact CE1-CE2 3.92Å; Y349-Y391 HydrophobicContact CE1-CE2 3.92Å; Y349-Y391 HydrophobicContact CE1-CG 4.47Å; Y349-Y391 AromaticContact CE1-CZ 3.63Å; N385-Y391 HydrophobicContact CB-CD2 4.36Å; N385-Y391 HydrophobicContact CB-CE2 4.47Å; R389-Y391 VanDerWaalsContact C-N 3.28Å
392	D	90.5	Very high	93.8	Very high	44 Å²	44	25.6 Å²	25.6	24%	0.235	16%	0.159	C	C	.	.			trans	-87.1	143.8	169.6	-85.1	-11	0	0	0	110	F347 R389	F347-D392 WeakPolarHBondContact CD2-O 3.37Å; F347-D392 WeakPolarHBondContact CE2-O 3.47Å; R389-D392 VanDerWaalsContact CG-OD1 3.27Å; R389-D392 WeakPolarHBondContact CG-OD1 3.32Å; R389-D392 IonicContact CZ-OD1 3.69Å; R389-D392 IonicContact CZ-OD2 2.73Å; R389-D392 IonicContact NE-OD1 2.74Å; R389-D392 PolarHBondContact NE-OD1 3.12Å; R389-D392 IonicContact NE-OD2 3.63Å; R389-D392 IonicContact NH2-OD1 3.43Å; R389-D392 PolarHBondContact NH2-OD1 3.46Å; R389-D392 IonicContact NH2-OD2 2.61Å; R389-D392 PolarHBondContact NH2-OD2 3.22Å; R389-D392 VanDerWaalsContact NH2-OD2 3.11Å
393	V	93.1	Very high	94	Very high	15 Å²	15	29.3 Å²	29.3	9%	0.091	18%	0.175	C	C	.	.			trans	-64.5	144.3	175	-59	0	0	0	0	111.3	V345 L386 G396 I398	V345-V393 HydrophobicContact CG1-CB 4.16Å; V345-V393 HydrophobicContact CG1-CG1 3.61Å; V345-V393 HydrophobicContact CG2-CG1 4.22Å; L386-V393 HydrophobicContact CD1-CG1 4.21Å; L386-V393 HydrophobicContact CD2-CG1 4.27Å; V393-G396 WeakPolarHBondContact CG2-O 3.33Å; V393-I398 HydrophobicContact CG1-CD1 3.98Å; V393-I398 HydrophobicContact CG1-CG1 4.23Å
394	T	92	Very high	94	Very high	77 Å²	77	30.5 Å²	30.5	47%	0.472	18%	0.181	S	C	.	.	S	Bend	trans	-73.6	-42.5	177.1	-55.9	0	0	0	0	111.1	S346 F347 Q348	S346-T394 WeakPolarHBondContact O-CA 3.39Å; S346-T394 WeakPolarHBondContact O-CB 3.08Å; S346-T394 PolarHBondContact O-N 2.84Å; F347-T394 WeakPolarHBondContact CA-OG1 3.35Å; Q348-T394 HydrophobicContact CG-CG2 4.45Å; Q348-T394 PolarHBondContact N-OG1 3.32Å; Q348-T394 VanDerWaalsContact N-OG1 3.15Å
395	S	94.3	Very high	94	Very high	56 Å²	56	30.9 Å²	30.9	39%	0.392	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	165.2	171.9	70.4	0	0	0	0	110	V345 S346	V345-S395 WeakPolarHBondContact CA-O 3.34Å; S346-S395 VanDerWaalsContact CB-OG 3.29Å; S346-S395 WeakPolarHBondContact CB-OG 3.38Å; S346-S395 PolarHBondContact N-O 3.16Å; S346-S395 PolarHBondContact O-N 2.82Å; S346-S395 PolarHBondContact OG-OG 3.25Å
396	G	95.8	Very high	94	Very high	35 Å²	35	33.2 Å²	33.2	36%	0.361	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77	-166	-173.5	0	0	0	0	0	112.6	D343 H344 V393	D343-G396 CarbonylContact O-C 3.52Å; D343-G396 WeakPolarHBondContact O-CA 3.45Å; H344-G396 VanDerWaalsContact O-CA 3.26Å; H344-G396 WeakPolarHBondContact O-CA 3.45Å; H344-G396 PolarHBondContact O-N 3.09Å; V393-G396 WeakPolarHBondContact CG2-O 3.33Å
397	Q	96.2	Very high	93.9	Very high	67 Å²	67	37.3 Å²	37.3	31%	0.313	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	154.2	-177.7	58.2	-171.2	-9.5	0	0	112.1	D343 V345 L399 N404	D343-Q397 HydrophobicContact CB-CG 3.9Å; D343-Q397 PolarHBondContact N-O 2.64Å; D343-Q397 PolarHBondContact O-N 3.06Å; D343-Q397 PolarHBondContact OD2-NE2 2.7Å; V345-Q397 VanDerWaalsContact CG2-O 3.28Å; V345-Q397 WeakPolarHBondContact CG2-O 3.49Å; Q397-L399 HydrophobicContact CG-CD2 4.49Å; Q397-L399 HydrophobicContact CG-CG 4.47Å; Q397-N404 WeakPolarHBondContact CB-ND2 3.49Å; Q397-N404 PolarHBondContact OE1-ND2 2.78Å; Q397-N404 VanDerWaalsContact OE1-ND2 3.17Å
398	I	97.2	Very high	93.8	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.9	170.3	-59.4	174.3	0	0	0	106.3	I340 D341 I342 V345 L386 V393 I405	I340-I398 HydrophobicContact CG2-CG2 4.07Å; D341-I398 CarbonylContact O-C 3.56Å; D341-I398 WeakPolarHBondContact O-CA 2.88Å; I342-I398 HydrophobicContact CG2-CG1 4.49Å; V345-I398 HydrophobicContact CG2-CG1 3.89Å; L386-I398 HydrophobicContact CB-CD1 3.66Å; V393-I398 HydrophobicContact CG1-CD1 3.98Å; V393-I398 HydrophobicContact CG1-CG1 4.23Å; I398-I405 HydrophobicContact CB-CD1 3.75Å; I398-I405 HydrophobicContact CB-CG1 4.02Å; I398-I405 HydrophobicContact CB-CG2 4.37Å; I398-I405 HydrophobicContact CD1-CD1 4.11Å; I398-I405 HydrophobicContact CG1-CD1 4.39Å; I398-I405 HydrophobicContact CG2-CD1 4.17Å; I398-I405 HydrophobicContact CG2-CG2 4.02Å; I398-I405 PolarHBondContact O-N 2.95Å
399	L	97	Very high	93.8	Very high	33 Å²	33	40 Å²	40	17%	0.173	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138.2	178.2	-53	165.3	0	0	0	108.5	I340 D341 Q397 H403 N404	I340-L399 CarbonylContact C-O 3.58Å; I340-L399 WeakPolarHBondContact CA-O 3.39Å; D341-L399 HydrophobicContact CB-CB 4.23Å; D341-L399 HydrophobicContact CB-CD1 4.34Å; D341-L399 PolarHBondContact N-O 3.21Å; D341-L399 PolarHBondContact O-N 3.26Å; Q397-L399 HydrophobicContact CG-CD2 4.49Å; Q397-L399 HydrophobicContact CG-CG 4.47Å; L399-H403 CarbonylContact C-O 3.53Å; L399-H403 VanDerWaalsContact CA-O 3.24Å; L399-H403 WeakPolarHBondContact CA-O 3.37Å; L399-N404 HydrophobicContact CD2-CB 3.86Å
400	I	96.7	Very high	93.6	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.1	167.6	-60.5	177	0	0	0	107.8	I335 R339 I340 I387 G402 H403 I405 F408 L413 I498	I335-I400 HydrophobicContact CB-CG2 4.46Å; I335-I400 HydrophobicContact CD1-CD1 4.29Å; I335-I400 HydrophobicContact CD1-CG2 3.86Å; I335-I400 HydrophobicContact CG1-CG2 3.86Å; I335-I400 HydrophobicContact CG2-CG2 3.82Å; R339-I400 CarbonylContact O-C 3.51Å; R339-I400 VanDerWaalsContact O-CA 3.26Å; R339-I400 WeakPolarHBondContact O-CA 3.37Å; I340-I400 HydrophobicContact CG1-CG1 4.38Å; I387-I400 HydrophobicContact CG2-CD1 4.48Å; I400-G402 PolarHBondContact O-N 3.36Å; I400-G402 VanDerWaalsContact O-N 3.17Å; I400-H403 PolarHBondContact N-O 3.45Å; I400-H403 PolarHBondContact O-N 2.87Å; I400-I405 HydrophobicContact CD1-CG2 3.66Å; I400-I405 HydrophobicContact CG1-CG2 3.71Å; I400-F408 HydrophobicContact CB-CZ 4.34Å; I400-L413 HydrophobicContact CD1-CD1 3.7Å; I400-I498 HydrophobicContact CD1-CD1 3.94Å; I400-I498 HydrophobicContact CG1-CD1 4.48Å; I400-I498 HydrophobicContact CG2-CD1 3.85Å
401	D	95.4	Very high	93.6	Very high	35 Å²	35	40.8 Å²	40.8	19%	0.187	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	35.5	-173.1	-63.6	-11.7	0	0	0	112.7	K336 Q337 G338 R339 H403	K336-D401 PolarHBondContact N-OD2 2.9Å; Q337-D401 WeakPolarHBondContact CB-OD1 3.33Å; Q337-D401 PolarHBondContact N-OD2 3.46Å; G338-D401 PolarHBondContact N-OD1 2.96Å; G338-D401 PolarHBondContact N-OD2 3.26Å; R339-D401 PolarHBondContact N-OD1 3.46Å; R339-D401 PolarHBondContact O-N 3.35Å; D401-H403 VanDerWaalsContact C-N 3.27Å; D401-H403 PolarHBondContact O-N 2.76Å
402	G	93.9	Very high	93.7	Very high	50 Å²	50	40.8 Å²	40.8	52%	0.515	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.2	-2.5	-177.6	0	0	0	0	0	115.6	I400	I400-G402 PolarHBondContact O-N 3.36Å; I400-G402 VanDerWaalsContact O-N 3.17Å
403	H	94.7	Very high	93.9	Very high	92 Å²	92	38.7 Å²	38.7	43%	0.426	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	133.6	175.9	-66.9	-77.9	0	0	0	111.1	I333 L399 I400 D401 I405 F408	I333-H403 HydrophobicContact CD1-CB 4.26Å; L399-H403 CarbonylContact C-O 3.53Å; L399-H403 VanDerWaalsContact CA-O 3.24Å; L399-H403 WeakPolarHBondContact CA-O 3.37Å; I400-H403 PolarHBondContact N-O 3.45Å; I400-H403 PolarHBondContact O-N 2.87Å; D401-H403 VanDerWaalsContact C-N 3.27Å; D401-H403 PolarHBondContact O-N 2.76Å; H403-I405 PolarHBondContact O-N 3.1Å; H403-F408 HydrophobicContact CB-CE2 3.66Å; H403-F408 HydrophobicContact CB-CZ 4.03Å
404	N	94.8	Very high	93.9	Very high	25 Å²	25	42.3 Å²	42.3	13%	0.134	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.2	177.3	-168.9	-42.9	0	0	0	110.5	Q397 L399 K406 D407 F408	Q397-N404 WeakPolarHBondContact CB-ND2 3.49Å; Q397-N404 PolarHBondContact OE1-ND2 2.78Å; Q397-N404 VanDerWaalsContact OE1-ND2 3.17Å; L399-N404 HydrophobicContact CD2-CB 3.86Å; N404-K406 PolarHBondContact O-N 3.21Å; N404-K406 WeakPolarHBondContact OD1-CB 3.46Å; N404-K406 WeakPolarHBondContact OD1-CG 3.46Å; N404-K406 PolarHBondContact OD1-N 3.4Å; N404-D407 WeakPolarHBondContact O-CB 3.18Å; N404-D407 PolarHBondContact O-N 3.47Å; N404-F408 VanDerWaalsContact O-CD2 3.31Å; N404-F408 WeakPolarHBondContact O-CD2 3.47Å
405	I	94.3	Very high	94	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.036	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-58.1	-20.5	179	63.8	168.8	0	0	0	113.1	L386 R389 I398 I400 H403 D407 F408 L413	L386-I405 WeakPolarHBondContact O-CD1 3.4Å; R389-I405 HydrophobicContact CB-CD1 4.3Å; R389-I405 HydrophobicContact CG-CD1 4.41Å; I398-I405 HydrophobicContact CB-CD1 3.75Å; I398-I405 HydrophobicContact CB-CG1 4.02Å; I398-I405 HydrophobicContact CB-CG2 4.37Å; I398-I405 HydrophobicContact CD1-CD1 4.11Å; I398-I405 HydrophobicContact CG1-CD1 4.39Å; I398-I405 HydrophobicContact CG2-CD1 4.17Å; I398-I405 HydrophobicContact CG2-CG2 4.02Å; I398-I405 PolarHBondContact O-N 2.95Å; I400-I405 HydrophobicContact CD1-CG2 3.66Å; I400-I405 HydrophobicContact CG1-CG2 3.71Å; H403-I405 PolarHBondContact O-N 3.1Å; I405-D407 VanDerWaalsContact C-N 3.27Å; I405-D407 PolarHBondContact O-N 3.35Å; I405-F408 PolarHBondContact O-N 2.83Å; I405-L413 HydrophobicContact CB-CD2 4.04Å; I405-L413 HydrophobicContact CG2-CD1 4.41Å; I405-L413 HydrophobicContact CG2-CD2 4.44Å
406	K	91.7	Very high	94.1	Very high	74 Å²	74	41.8 Å²	41.8	32%	0.322	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-68.2	-25.1	173.5	-69	-178.3	177.3	176	0	113.3	R389 N404 F408	R389-K406 PolarHBondContact NH1-O 3.46Å; N404-K406 PolarHBondContact O-N 3.21Å; N404-K406 WeakPolarHBondContact OD1-CB 3.46Å; N404-K406 WeakPolarHBondContact OD1-CG 3.46Å; N404-K406 PolarHBondContact OD1-N 3.4Å; K406-F408 VanDerWaalsContact C-N 3.33Å
407	D	92.8	Very high	94.1	Very high	86 Å²	86	40.7 Å²	40.7	46%	0.46	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-83.5	-10.7	179.2	-57.4	-29.6	0	0	0	112.5	A330 Q331 I333 N404 I405	A330-D407 CarbonylContact C-O 3.59Å; A330-D407 WeakPolarHBondContact CA-O 2.97Å; Q331-D407 PolarHBondContact N-O 3.4Å; I333-D407 HydrophobicContact CD1-CB 4.39Å; N404-D407 WeakPolarHBondContact O-CB 3.18Å; N404-D407 PolarHBondContact O-N 3.47Å; I405-D407 VanDerWaalsContact C-N 3.27Å; I405-D407 PolarHBondContact O-N 3.35Å
408	F	93.1	Very high	94	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.009	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-80.5	144.7	174.8	-69.9	-113	0	0	0	110.7	Q331 I333 I335 I400 H403 N404 I405 K406 T410 L413	Q331-F408 WeakPolarHBondContact O-CA 3.42Å; I333-F408 HydrophobicContact CB-CD1 3.7Å; I333-F408 HydrophobicContact CB-CE1 3.49Å; I333-F408 VanDerWaalsContact CB-CE1 3.49Å; I333-F408 HydrophobicContact CB-CG 4.3Å; I333-F408 HydrophobicContact CB-CZ 3.94Å; I333-F408 HydrophobicContact CD1-CD2 4.13Å; I333-F408 HydrophobicContact CD1-CE2 4.15Å; I333-F408 HydrophobicContact CD1-CG 4.36Å; I333-F408 HydrophobicContact CD1-CZ 4.37Å; I333-F408 HydrophobicContact CG2-CD1 4.37Å; I333-F408 HydrophobicContact CG2-CE1 3.65Å; I333-F408 HydrophobicContact CG2-CZ 3.74Å; I333-F408 WeakPolarHBondContact O-CE1 3.49Å; I335-F408 HydrophobicContact CD1-CE1 4.43Å; I335-F408 HydrophobicContact CG1-CE1 3.93Å; I335-F408 HydrophobicContact CG1-CZ 4.41Å; I400-F408 HydrophobicContact CB-CZ 4.34Å; H403-F408 HydrophobicContact CB-CE2 3.66Å; H403-F408 HydrophobicContact CB-CZ 4.03Å; N404-F408 VanDerWaalsContact O-CD2 3.31Å; N404-F408 WeakPolarHBondContact O-CD2 3.47Å; I405-F408 PolarHBondContact O-N 2.83Å; K406-F408 VanDerWaalsContact C-N 3.33Å; F408-T410 PolarHBondContact O-N 3.46Å; F408-L413 HydrophobicContact CB-CB 3.93Å; F408-L413 HydrophobicContact CD1-CB 4.28Å; F408-L413 HydrophobicContact CD1-CD1 4.19Å; F408-L413 HydrophobicContact CG-CB 4.34Å; F408-L413 HydrophobicContact CG-CD1 4.34Å
409	L	92.8	Very high	93.8	Very high	59 Å²	59	39.6 Å²	39.6	31%	0.309	23%	0.225	S	C	.	.			trans	-62.6	125.3	156.7	-71.4	177.4	0	0	0	108.7	N326 A330 Q331 P332 G411 S412 L413	N326-L409 HydrophobicContact CB-CD2 4.28Å; A330-L409 HydrophobicContact CB-CD2 4.01Å; Q331-L409 PolarHBondContact O-N 2.96Å; P332-L409 HydrophobicContact CB-CD1 4.1Å; P332-L409 HydrophobicContact CG-CD1 4.3Å; L409-G411 PolarHBondContact O-N 3.01Å; L409-G411 VanDerWaalsContact O-N 3.11Å; L409-S412 WeakPolarHBondContact O-CA 3.21Å; L409-S412 WeakPolarHBondContact O-CB 3.35Å; L409-S412 PolarHBondContact O-N 3.41Å; L409-L413 PolarHBondContact O-N 3.44Å
410	T	89.8	Confident	93.5	Very high	16 Å²	16	38 Å²	38	10%	0.098	22%	0.216	C	C	.	.	H	α-helix	trans	-51.8	-40.6	-175.4	-58	0	0	0	0	113.2	I324 N326 F408 R414	I324-T410 HydrophobicContact CG2-CG2 4.39Å; N326-T410 WeakPolarHBondContact OD1-CB 3.42Å; N326-T410 PolarHBondContact OD1-N 2.97Å; N326-T410 PolarHBondContact OD1-OG1 3.33Å; F408-T410 PolarHBondContact O-N 3.46Å; T410-R414 VanDerWaalsContact CG2-NE 3.33Å; T410-R414 VanDerWaalsContact CG2-NH2 3.29Å; T410-R414 WeakPolarHBondContact O-CB 3.24Å; T410-R414 VanDerWaalsContact O-CG 3.31Å; T410-R414 WeakPolarHBondContact O-CG 3.43Å; T410-R414 PolarHBondContact O-N 2.87Å
411	G	89.9	Confident	93	Very high	55 Å²	55	41.9 Å²	41.9	57%	0.567	23%	0.234	S	C	*	.	H	α-helix	trans	-67.7	-36.7	176.4	0	0	0	0	0	113.5	L409 N415	L409-G411 PolarHBondContact O-N 3.01Å; L409-G411 VanDerWaalsContact O-N 3.11Å; G411-N415 VanDerWaalsContact O-CB 3.32Å; G411-N415 WeakPolarHBondContact O-CB 3.16Å; G411-N415 PolarHBondContact O-N 3.13Å
412	S	92.3	Very high	92.3	Very high	28 Å²	28	45 Å²	45	20%	0.196	25%	0.248	C	C	.	.	H	α-helix	trans	-68.7	-40.7	176.7	173.1	0	0	0	0	111.4	P332 I333 L409 Q416	P332-S412 WeakPolarHBondContact CA-OG 3.21Å; I333-S412 PolarHBondContact O-OG 3.27Å; L409-S412 WeakPolarHBondContact O-CA 3.21Å; L409-S412 WeakPolarHBondContact O-CB 3.35Å; L409-S412 PolarHBondContact O-N 3.41Å; S412-Q416 WeakPolarHBondContact O-CG 3.24Å; S412-Q416 PolarHBondContact O-NE2 3.38Å; S412-Q416 PolarHBondContact OG-NE2 2.89Å
413	L	94.9	Very high	91.5	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-53	174	178.3	63	0	0	0	111.4	I335 R389 I400 I405 F408 L409 N415 Q416 I417	I335-L413 HydrophobicContact CD1-CD1 4.37Å; R389-L413 HydrophobicContact CB-CD2 3.8Å; I400-L413 HydrophobicContact CD1-CD1 3.7Å; I405-L413 HydrophobicContact CB-CD2 4.04Å; I405-L413 HydrophobicContact CG2-CD1 4.41Å; I405-L413 HydrophobicContact CG2-CD2 4.44Å; F408-L413 HydrophobicContact CB-CB 3.93Å; F408-L413 HydrophobicContact CD1-CB 4.28Å; F408-L413 HydrophobicContact CD1-CD1 4.19Å; F408-L413 HydrophobicContact CG-CB 4.34Å; F408-L413 HydrophobicContact CG-CD1 4.34Å; L409-L413 PolarHBondContact O-N 3.44Å; L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 2.9Å; L413-Q416 PolarHBondContact O-N 3.38Å; L413-I417 HydrophobicContact CD1-CD1 3.77Å; L413-I417 HydrophobicContact CG-CD1 3.96Å
414	R	93.6	Very high	90.8	Very high	91 Å²	91	44.1 Å²	44.1	34%	0.343	24%	0.235	S	C	.	.	H	α-helix	trans	-66.3	-31.8	-176.1	-69.7	174.1	-173.6	167.8	4.5	113.3	P388 R389 T410 Q416 I417	P388-R414 HydrophobicContact CB-CG 4.48Å; P388-R414 WeakPolarHBondContact O-CG 3.42Å; P388-R414 PolarHBondContact O-NE 3.25Å; R389-R414 PolarHBondContact O-NH2 3.13Å; T410-R414 VanDerWaalsContact CG2-NE 3.33Å; T410-R414 VanDerWaalsContact CG2-NH2 3.29Å; T410-R414 WeakPolarHBondContact O-CB 3.24Å; T410-R414 VanDerWaalsContact O-CG 3.31Å; T410-R414 WeakPolarHBondContact O-CG 3.43Å; T410-R414 PolarHBondContact O-N 2.87Å; R414-Q416 PolarHBondContact O-N 3.28Å; R414-I417 PolarHBondContact O-N 3.13Å
415	N	93.1	Very high	90.2	Very high	97 Å²	97	46.7 Å²	46.7	52%	0.519	25%	0.248	S	C	.	.	H	α-helix	trans	-65.6	-18.6	175	-163.7	74.6	0	0	0	112.8	G411 L413 N494	G411-N415 VanDerWaalsContact O-CB 3.32Å; G411-N415 WeakPolarHBondContact O-CB 3.16Å; G411-N415 PolarHBondContact O-N 3.13Å; L413-N415 VanDerWaalsContact C-N 3.33Å; L413-N415 PolarHBondContact O-N 2.9Å; N415-N494 PolarHBondContact O-ND2 3.33Å
416	Q	95.6	Very high	90	Very high	24 Å²	24	46.4 Å²	46.4	11%	0.112	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.3	9.7	-177.6	-62.5	175.9	88.4	0	0	112.8	I333 I335 S412 L413 R414 P496 P497	I333-Q416 PolarHBondContact O-NE2 3.26Å; I335-Q416 HydrophobicContact CD1-CB 3.76Å; I335-Q416 HydrophobicContact CG1-CB 4.42Å; S412-Q416 WeakPolarHBondContact O-CG 3.24Å; S412-Q416 PolarHBondContact O-NE2 3.38Å; S412-Q416 PolarHBondContact OG-NE2 2.89Å; L413-Q416 PolarHBondContact O-N 3.38Å; R414-Q416 PolarHBondContact O-N 3.28Å; Q416-P496 VanDerWaalsContact C-CB 3.48Å; Q416-P496 WeakPolarHBondContact O-CB 3.38Å; Q416-P497 HydrophobicContact CB-CG 4.29Å; Q416-P497 VanDerWaalsContact O-CD 3.27Å; Q416-P497 WeakPolarHBondContact O-CD 3.29Å
417	I	96	Very high	89.9	Confident	12 Å²	12	48.4 Å²	48.4	6%	0.062	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.2	175.7	-63	165.6	0	0	0	108.1	I387 P388 L413 R414 I498 I500	I387-I417 HydrophobicContact CG2-CD1 4.09Å; P388-I417 HydrophobicContact CB-CD1 4.18Å; P388-I417 HydrophobicContact CB-CG2 4.46Å; L413-I417 HydrophobicContact CD1-CD1 3.77Å; L413-I417 HydrophobicContact CG-CD1 3.96Å; R414-I417 PolarHBondContact O-N 3.13Å; I417-I498 CarbonylContact C-O 3.59Å; I417-I498 WeakPolarHBondContact CA-O 3.35Å; I417-I498 HydrophobicContact CG1-CB 4.19Å; I417-I498 HydrophobicContact CG1-CG2 4.36Å; I417-I498 HydrophobicContact CG2-CG2 4.45Å; I417-I500 HydrophobicContact CG2-CD1 3.73Å; I417-I500 HydrophobicContact CG2-CG1 4.03Å
418	G	94.5	Very high	89.7	Confident	3 Å²	3	47.6 Å²	47.6	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	127.7	170.4	0	0	0	0	0	109.7	P496 I498 L499 I500	G418-P496 VanDerWaalsContact CA-CG 3.45Å; G418-I498 PolarHBondContact N-O 3.27Å; G418-L499 CarbonylContact O-C 3.55Å; G418-L499 WeakPolarHBondContact O-CA 3.45Å; G418-I500 PolarHBondContact O-N 2.91Å
419	L	92.7	Very high	89.7	Confident	42 Å²	42	51.6 Å²	51.6	22%	0.22	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	118.8	178	177.5	66.3	0	0	0	110	F390 Q421 I500	F390-L419 HydrophobicContact CE2-CD2 3.52Å; F390-L419 HydrophobicContact CZ-CD2 3.81Å; L419-Q421 HydrophobicContact CD1-CG 4.3Å; L419-Q421 HydrophobicContact CD2-CG 3.7Å; L419-Q421 HydrophobicContact CG-CG 3.71Å; L419-I500 WeakPolarHBondContact CA-O 3.16Å; L419-I500 HydrophobicContact CD1-CB 3.68Å; L419-I500 HydrophobicContact CD1-CG2 3.46Å; L419-I500 VanDerWaalsContact CD1-CG2 3.46Å
420	V	90.3	Very high	89.9	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113	165.5	-175.5	0	0	0	0	107.3	I488 I491 I500 L501 D502 A504	V420-I488 HydrophobicContact CG2-CG1 4.22Å; V420-I491 HydrophobicContact CB-CD1 4.37Å; V420-I491 HydrophobicContact CG2-CD1 3.19Å; V420-I500 PolarHBondContact N-O 3.49Å; V420-L501 HydrophobicContact CB-CD2 3.81Å; V420-L501 HydrophobicContact CG2-CD2 3.52Å; V420-D502 PolarHBondContact O-N 3.13Å; V420-A504 HydrophobicContact CB-CB 4.37Å; V420-A504 HydrophobicContact CG1-CB 3.73Å
421	Q	86.8	Confident	90.2	Very high	81 Å²	81	49.3 Å²	49.3	38%	0.379	27%	0.266	S	S	.	.			trans	-89.5	163	177.5	-59.5	-171.7	-62.2	0	0	111	L419 N424 D502	L419-Q421 HydrophobicContact CD1-CG 4.3Å; L419-Q421 HydrophobicContact CD2-CG 3.7Å; L419-Q421 HydrophobicContact CG-CG 3.71Å; Q421-N424 PolarHBondContact O-ND2 3.06Å; Q421-N424 VanDerWaalsContact O-ND2 3.16Å; Q421-N424 PolarHBondContact O-OD1 3.1Å; Q421-D502 CarbonylContact C-O 3.55Å
422	Q	80.7	Confident	90.5	Very high	101 Å²	101	48.6 Å²	48.6	47%	0.472	25%	0.247	S	C	.	.	S	Bend	trans	-64.5	-50.7	172.9	-176.4	175.7	28.1	0	0	112	D502 E503 S506	Q422-D502 PolarHBondContact N-O 3.01Å; Q422-D502 VanDerWaalsContact N-O 3.13Å; Q422-E503 HydrophobicContact CB-CB 4.24Å; Q422-E503 VanDerWaalsContact CD-OE2 3.24Å; Q422-E503 HydrophobicContact CG-CB 4.2Å; Q422-E503 PolarHBondContact NE2-OE2 3.31Å; Q422-E503 PolarHBondContact OE1-OE2 3.5Å; Q422-S506 PolarHBondContact NE2-OG 3.36Å; Q422-S506 VanDerWaalsContact NE2-OG 3.12Å
423	D	77.4	Confident	90.7	Very high	111 Å²	111	51.7 Å²	51.7	59%	0.594	26%	0.258	S	S	*	.	S	Bend	trans	-96.5	96.3	175.3	-173.4	18.3	0	0	0	110.4	I425	D423-I425 PolarHBondContact O-N 3.03Å
424	N	79.9	Confident	90.7	Very high	13 Å²	13	51.7 Å²	51.7	7%	0.07	26%	0.259	C	S	.	.			trans	-79.5	101.8	180	-79	-51.1	0	0	0	111.9	Q421 L426 K483 Q484 S487	Q421-N424 PolarHBondContact O-ND2 3.06Å; Q421-N424 VanDerWaalsContact O-ND2 3.16Å; Q421-N424 PolarHBondContact O-OD1 3.1Å; N424-L426 PolarHBondContact O-N 3.38Å; N424-K483 HydrophobicContact CB-CB 4.49Å; N424-Q484 PolarHBondContact ND2-NE2 3.17Å; N424-Q484 VanDerWaalsContact ND2-NE2 3.14Å; N424-Q484 PolarHBondContact ND2-OE1 3.38Å; N424-S487 VanDerWaalsContact CB-OG 3.3Å; N424-S487 WeakPolarHBondContact CB-OG 3.45Å; N424-S487 WeakPolarHBondContact OD1-CB 3.43Å; N424-S487 PolarHBondContact OD1-OG 3.37Å
425	I	82.7	Confident	90.9	Very high	79 Å²	79	47.4 Å²	47.4	41%	0.405	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-74.7	118.9	172.6	-57.6	175.9	0	0	0	109.3	D423 R490	D423-I425 PolarHBondContact O-N 3.03Å; I425-R490 PolarHBondContact O-NH1 3.01Å; I425-R490 PolarHBondContact O-NH2 3.47Å
426	L	89	Confident	91.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-98.7	139.6	164.4	-54.9	-174.5	0	0	0	109.5	N424 N434 V471 R474 L478 K483 L486	N424-L426 PolarHBondContact O-N 3.38Å; L426-N434 WeakPolarHBondContact CA-OD1 3.42Å; L426-N434 WeakPolarHBondContact CB-OD1 3.42Å; L426-V471 HydrophobicContact CB-CG2 3.96Å; L426-V471 HydrophobicContact CD1-CB 4.47Å; L426-V471 HydrophobicContact CD1-CG2 4.23Å; L426-R474 WeakPolarHBondContact O-CA 3.48Å; L426-R474 PolarHBondContact O-N 3.07Å; L426-L478 HydrophobicContact CD1-CD1 3.71Å; L426-K483 HydrophobicContact CD1-CB 4.18Å; L426-K483 HydrophobicContact CD1-CG 3.87Å; L426-K483 HydrophobicContact CG-CB 4.47Å; L426-K483 HydrophobicContact CG-CG 4.4Å; L426-L486 HydrophobicContact CD1-CD1 3.78Å; L426-L486 HydrophobicContact CD2-CB 4.35Å
427	F	89.8	Confident	91	Very high	116 Å²	116	46.5 Å²	46.5	51%	0.509	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-80	153.4	174.1	-66.2	-87.1	0	0	0	109.7	D429 N434 L437 V471	F427-D429 PolarHBondContact O-N 3.27Å; F427-N434 PolarHBondContact N-OD1 3.07Å; F427-N434 PolarHBondContact O-ND2 3.34Å; F427-L437 HydrophobicContact CD2-CD1 3.48Å; F427-L437 VanDerWaalsContact CD2-CD1 3.48Å; F427-L437 HydrophobicContact CE2-CD1 3.77Å; F427-V471 VanDerWaalsContact O-CG2 3.27Å; F427-V471 WeakPolarHBondContact O-CG2 3.29Å
428	S	88.7	Confident	90.8	Very high	68 Å²	68	46.7 Å²	46.7	48%	0.476	24%	0.242	S	C	.	.	S	Bend	trans	-75.6	61.1	-179.3	-172.4	0	0	0	0	111.8
429	D	93.6	Very high	90.8	Very high	87 Å²	87	50.3 Å²	50.3	47%	0.465	26%	0.255	S	S	.	.	S	Bend	trans	-131.6	-174.4	177.1	-82.6	-54.7	0	0	0	109.3	F427 E433 E470 V471	F427-D429 PolarHBondContact O-N 3.27Å; D429-E433 HydrophobicContact CB-CB 3.87Å; D429-E470 WeakPolarHBondContact O-CA 3.39Å; D429-V471 PolarHBondContact O-N 3.46Å
430	T	95.8	Very high	90.9	Very high	26 Å²	26	53.4 Å²	53.4	16%	0.16	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-64.6	161.1	175.8	72	0	0	0	0	111.8	K432 E433 N434 D468 T469 E470	T430-K432 PolarHBondContact O-N 3.01Å; T430-E433 PolarHBondContact O-N 3.45Å; T430-E433 WeakPolarHBondContact OG1-CG 3.42Å; T430-E433 PolarHBondContact OG1-N 3.19Å; T430-E433 VanDerWaalsContact OG1-N 3.12Å; T430-N434 PolarHBondContact O-N 2.95Å; T430-N434 PolarHBondContact O-ND2 3.33Å; T430-D468 VanDerWaalsContact CG2-O 3.25Å; T430-D468 WeakPolarHBondContact CG2-O 3.27Å; T430-T469 CarbonylContact C-O 3.49Å; T430-T469 WeakPolarHBondContact CA-O 3.43Å; T430-E470 HydrophobicContact CG2-CG 4.41Å
431	V	96.4	Very high	91.1	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.2	-43.5	171.1	169.4	0	0	0	0	110.6	N434 I435 I460 L463 Y467 T469 V471 L486	V431-N434 WeakPolarHBondContact O-CB 3.39Å; V431-N434 PolarHBondContact O-N 2.86Å; V431-I435 HydrophobicContact CG1-CD1 3.97Å; V431-I435 WeakPolarHBondContact O-CG1 3.4Å; V431-I435 PolarHBondContact O-N 2.66Å; V431-I460 HydrophobicContact CG1-CD1 3.76Å; V431-I460 HydrophobicContact CG1-CG1 3.88Å; V431-I460 HydrophobicContact CG1-CG2 4.03Å; V431-L463 HydrophobicContact CG2-CD1 3.76Å; V431-Y467 WeakPolarHBondContact CB-O 3.29Å; V431-Y467 HydrophobicContact CG1-CD1 4.41Å; V431-Y467 PolarHBondContact N-O 3.43Å; V431-T469 PolarHBondContact N-O 3.25Å; V431-V471 HydrophobicContact CG2-CG1 3.53Å; V431-L486 HydrophobicContact CG1-CD1 4.24Å; V431-L486 HydrophobicContact CG1-CD2 3.69Å; V431-L486 HydrophobicContact CG2-CD1 4.39Å
432	K	97.1	Very high	91.5	Very high	40 Å²	40	55.8 Å²	55.8	17%	0.174	30%	0.299	C	S	.	.	H	α-helix	trans	-55.1	-53.8	177	-178.2	179.2	175	175.5	0	112	T430 N434 I435 L436 D444 Y467	T430-K432 PolarHBondContact O-N 3.01Å; K432-N434 PolarHBondContact O-N 3.06Å; K432-I435 PolarHBondContact O-N 3.17Å; K432-L436 HydrophobicContact CG-CD1 3.97Å; K432-L436 WeakPolarHBondContact O-CG 3.49Å; K432-L436 PolarHBondContact O-N 3.21Å; K432-D444 WeakPolarHBondContact CE-OD1 3.35Å; K432-D444 IonicContact NZ-OD1 3.83Å; K432-D444 PolarHBondContact NZ-OD1 3.37Å; K432-D444 IonicContact NZ-OD2 3.72Å; K432-D444 PolarHBondContact NZ-OD2 3.48Å; K432-Y467 WeakPolarHBondContact CB-O 3.38Å; K432-Y467 PolarHBondContact N-O 3.25Å
433	E	96.5	Very high	92.3	Very high	93 Å²	93	54.4 Å²	54.4	44%	0.435	30%	0.298	S	S	.	.	H	α-helix	trans	-62.3	-35.5	-179.7	-70	-55.2	141	0	0	111.7	D429 T430 I435 L436 L437	D429-E433 HydrophobicContact CB-CB 3.87Å; T430-E433 PolarHBondContact O-N 3.45Å; T430-E433 WeakPolarHBondContact OG1-CG 3.42Å; T430-E433 PolarHBondContact OG1-N 3.19Å; T430-E433 VanDerWaalsContact OG1-N 3.12Å; E433-I435 VanDerWaalsContact C-N 3.34Å; E433-I435 PolarHBondContact O-N 3.38Å; E433-L436 PolarHBondContact O-N 3.34Å; E433-L437 PolarHBondContact O-N 3Å
434	N	95.4	Very high	93.2	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-64.6	-35	174.2	-88.9	-82.8	0	0	0	113.4	L426 F427 T430 V431 K432 R490	L426-N434 WeakPolarHBondContact CA-OD1 3.42Å; L426-N434 WeakPolarHBondContact CB-OD1 3.42Å; F427-N434 PolarHBondContact N-OD1 3.07Å; F427-N434 PolarHBondContact O-ND2 3.34Å; T430-N434 PolarHBondContact O-N 2.95Å; T430-N434 PolarHBondContact O-ND2 3.33Å; V431-N434 WeakPolarHBondContact O-CB 3.39Å; V431-N434 PolarHBondContact O-N 2.86Å; K432-N434 PolarHBondContact O-N 3.06Å; N434-R490 WeakPolarHBondContact O-CG 3.46Å; N434-R490 PolarHBondContact O-NE 3.04Å; N434-R490 PolarHBondContact OD1-NH2 2.88Å
435	I	96.6	Very high	94	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-74.6	-40.8	175.6	-64.8	168.2	0	0	0	110.3	V431 K432 E433 L437 G438 V447 A451 I460 Y467 L486 A489 L493	V431-I435 HydrophobicContact CG1-CD1 3.97Å; V431-I435 WeakPolarHBondContact O-CG1 3.4Å; V431-I435 PolarHBondContact O-N 2.66Å; K432-I435 PolarHBondContact O-N 3.17Å; E433-I435 VanDerWaalsContact C-N 3.34Å; E433-I435 PolarHBondContact O-N 3.38Å; I435-L437 PolarHBondContact O-N 3.43Å; I435-G438 PolarHBondContact O-N 2.84Å; I435-V447 HydrophobicContact CB-CG1 4.2Å; I435-V447 HydrophobicContact CD1-CG1 4.15Å; I435-V447 HydrophobicContact CG2-CG1 3.95Å; I435-A451 HydrophobicContact CD1-CB 4.24Å; I435-I460 HydrophobicContact CD1-CD1 4.19Å; I435-Y467 HydrophobicContact CD1-CD1 4.44Å; I435-Y467 HydrophobicContact CD1-CE1 4.14Å; I435-L486 HydrophobicContact CD1-CD2 4.04Å; I435-L486 HydrophobicContact CG1-CD2 4.19Å; I435-A489 HydrophobicContact CD1-CB 4.39Å; I435-A489 HydrophobicContact CG1-CB 4.2Å; I435-A489 HydrophobicContact CG2-CB 4.29Å; I435-L493 HydrophobicContact CG2-CD2 4.1Å; I435-L493 WeakPolarHBondContact O-CD2 3.26Å
436	L	97.3	Very high	94.7	Very high	16 Å²	16	59.6 Å²	59.6	8%	0.084	32%	0.32	C	S	.	.	H	α-helix	trans	-60.2	-17.2	178.4	-77.3	171.1	0	0	0	114	K432 E433 G438 R439 P440 A442 V447 L493	K432-L436 HydrophobicContact CG-CD1 3.97Å; K432-L436 WeakPolarHBondContact O-CG 3.49Å; K432-L436 PolarHBondContact O-N 3.21Å; E433-L436 PolarHBondContact O-N 3.34Å; L436-G438 PolarHBondContact O-N 3.17Å; L436-G438 VanDerWaalsContact O-N 3.14Å; L436-R439 CarbonylContact O-C 3.6Å; L436-R439 PolarHBondContact O-N 3.32Å; L436-P440 VanDerWaalsContact O-CA 3.26Å; L436-P440 WeakPolarHBondContact O-CA 3.47Å; L436-P440 WeakPolarHBondContact O-CD 3.19Å; L436-A442 HydrophobicContact CD2-CB 4.08Å; L436-V447 HydrophobicContact CD2-CG2 3.61Å; L436-V447 HydrophobicContact CG-CG2 3.98Å; L436-L493 HydrophobicContact CD2-CD2 4.49Å
437	L	93.1	Very high	95.1	Very high	87 Å²	87	59.7 Å²	59.7	46%	0.455	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29	169.7	-64.7	173.8	0	0	0	113.2	F427 E433 I435	F427-L437 HydrophobicContact CD2-CD1 3.48Å; F427-L437 VanDerWaalsContact CD2-CD1 3.48Å; F427-L437 HydrophobicContact CE2-CD1 3.77Å; E433-L437 PolarHBondContact O-N 3Å; I435-L437 PolarHBondContact O-N 3.43Å
438	G	92.1	Very high	95.5	Very high	15 Å²	15	56.1 Å²	56.1	16%	0.155	31%	0.308	C	S	.	.	S	Bend	trans	-67.1	-41.6	174.9	0	0	0	0	0	112.8	I435 L436 R490 N494	I435-G438 PolarHBondContact O-N 2.84Å; L436-G438 PolarHBondContact O-N 3.17Å; L436-G438 VanDerWaalsContact O-N 3.14Å; G438-R490 WeakPolarHBondContact CA-O 3.4Å; G438-N494 WeakPolarHBondContact O-CB 3.46Å; G438-N494 PolarHBondContact O-OD1 3.41Å
439	R	95	Very high	95.9	Very high	79 Å²	79	58.6 Å²	58.6	30%	0.298	31%	0.312	S	S	.	.			trans	-154.3	96	177	-176.2	163.4	56.6	117.8	0.2	109.5	L436 T441 A442 E446 L493	L436-R439 CarbonylContact O-C 3.6Å; L436-R439 PolarHBondContact O-N 3.32Å; R439-T441 PolarHBondContact O-N 3.24Å; R439-A442 HydrophobicContact CB-CB 4.34Å; R439-A442 HydrophobicContact CG-CB 4.35Å; R439-A442 VanDerWaalsContact O-CB 3.27Å; R439-A442 WeakPolarHBondContact O-CB 3.38Å; R439-A442 PolarHBondContact O-N 3.46Å; R439-E446 IonicContact CZ-OE1 3.62Å; R439-E446 VanDerWaalsContact CZ-OE1 3.29Å; R439-E446 IonicContact CZ-OE2 3.85Å; R439-E446 IonicContact NH1-OE1 2.94Å; R439-E446 PolarHBondContact NH1-OE1 3.43Å; R439-E446 IonicContact NH1-OE2 3.64Å; R439-E446 IonicContact NH2-OE1 2.86Å; R439-E446 PolarHBondContact NH2-OE1 3.02Å; R439-E446 IonicContact NH2-OE2 3.48Å; R439-E446 PolarHBondContact NH2-OE2 2.91Å; R439-L493 HydrophobicContact CB-CD2 4.08Å; R439-L493 HydrophobicContact CB-CG 4.08Å; R439-L493 PolarHBondContact NE-O 3.41Å; R439-L493 PolarHBondContact NH2-O 2.93Å
440	P	94.5	Very high	96.1	Very high	107 Å²	107	54.6 Å²	54.6	70%	0.695	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-17.3	-171.9	-28	35.8	0	0	0	115.4	L436	L436-P440 VanDerWaalsContact O-CA 3.26Å; L436-P440 WeakPolarHBondContact O-CA 3.47Å; L436-P440 WeakPolarHBondContact O-CD 3.19Å
441	T	94.3	Very high	96.2	Very high	121 Å²	121	53.4 Å²	53.4	74%	0.742	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	1.7	178.9	59.5	0	0	0	0	113.3	R439	R439-T441 PolarHBondContact O-N 3.24Å
442	A	96.2	Very high	96.2	Very high	11 Å²	11	59 Å²	59	9%	0.091	31%	0.308	C	S	.	.			trans	-69.6	149.3	-177.4	0	0	0	0	0	111.8	L436 R439 E446 L493	L436-A442 HydrophobicContact CD2-CB 4.08Å; R439-A442 HydrophobicContact CB-CB 4.34Å; R439-A442 HydrophobicContact CG-CB 4.35Å; R439-A442 VanDerWaalsContact O-CB 3.27Å; R439-A442 WeakPolarHBondContact O-CB 3.38Å; R439-A442 PolarHBondContact O-N 3.46Å; A442-E446 WeakPolarHBondContact CA-OE2 3.36Å; A442-E446 HydrophobicContact CB-CB 4.19Å; A442-E446 WeakPolarHBondContact CB-OE2 3.33Å; A442-L493 HydrophobicContact CB-CD1 3.7Å; A442-L493 HydrophobicContact CB-CD2 3.86Å; A442-L493 HydrophobicContact CB-CG 3.97Å
443	T	96.9	Very high	96.2	Very high	71 Å²	71	60.8 Å²	60.8	44%	0.436	32%	0.318	S	S	.	.			trans	-78.3	161.5	176	70.5	0	0	0	0	111.2	E445 E446 V447	T443-E445 PolarHBondContact O-N 3.42Å; T443-E446 PolarHBondContact N-OE2 3.46Å; T443-E446 PolarHBondContact O-N 3.25Å; T443-E446 VanDerWaalsContact O-N 3.14Å; T443-E446 WeakPolarHBondContact OG1-CG 3.26Å; T443-E446 PolarHBondContact OG1-N 2.73Å; T443-V447 WeakPolarHBondContact O-CG2 3.48Å; T443-V447 PolarHBondContact O-N 3.03Å
444	D	96.3	Very high	96.1	Very high	96 Å²	96	56.4 Å²	56.4	51%	0.513	30%	0.297	S	S	.	.	H	α-helix	trans	-57.8	-33	175.4	-70.1	16.3	0	0	0	112	K432 V447 V448	K432-D444 WeakPolarHBondContact CE-OD1 3.35Å; K432-D444 IonicContact NZ-OD1 3.83Å; K432-D444 PolarHBondContact NZ-OD1 3.37Å; K432-D444 IonicContact NZ-OD2 3.72Å; K432-D444 PolarHBondContact NZ-OD2 3.48Å; D444-V447 PolarHBondContact O-N 2.72Å; D444-V448 WeakPolarHBondContact O-CG2 3.18Å; D444-V448 PolarHBondContact O-N 3.23Å
445	E	97.3	Very high	96.1	Very high	160 Å²	160	58.8 Å²	58.8	75%	0.748	31%	0.31	S	S	*	.	H	α-helix	trans	-66.4	-46.1	176.2	-64.1	177.7	174.7	0	0	111.6	T443 V447 V448 E449	T443-E445 PolarHBondContact O-N 3.42Å; E445-V447 VanDerWaalsContact C-N 3.3Å; E445-V447 PolarHBondContact O-N 2.93Å; E445-V448 PolarHBondContact O-N 3.04Å; E445-E449 PolarHBondContact O-N 2.86Å
446	E	97.4	Very high	96	Very high	57 Å²	57	58.8 Å²	58.8	27%	0.266	31%	0.31	S	S	.	.	H	α-helix	trans	-63.2	-36.4	176	-68.5	175.6	123	0	0	111.4	R439 A442 T443 E449 A450 L493	R439-E446 IonicContact CZ-OE1 3.62Å; R439-E446 VanDerWaalsContact CZ-OE1 3.29Å; R439-E446 IonicContact CZ-OE2 3.85Å; R439-E446 IonicContact NH1-OE1 2.94Å; R439-E446 PolarHBondContact NH1-OE1 3.43Å; R439-E446 IonicContact NH1-OE2 3.64Å; R439-E446 IonicContact NH2-OE1 2.86Å; R439-E446 PolarHBondContact NH2-OE1 3.02Å; R439-E446 IonicContact NH2-OE2 3.48Å; R439-E446 PolarHBondContact NH2-OE2 2.91Å; A442-E446 WeakPolarHBondContact CA-OE2 3.36Å; A442-E446 HydrophobicContact CB-CB 4.19Å; A442-E446 WeakPolarHBondContact CB-OE2 3.33Å; T443-E446 PolarHBondContact N-OE2 3.46Å; T443-E446 PolarHBondContact O-N 3.25Å; T443-E446 VanDerWaalsContact O-N 3.14Å; T443-E446 WeakPolarHBondContact OG1-CG 3.26Å; T443-E446 PolarHBondContact OG1-N 2.73Å; E446-E449 PolarHBondContact O-N 3.41Å; E446-A450 WeakPolarHBondContact O-CB 3.37Å; E446-A450 PolarHBondContact O-N 2.91Å; E446-L493 HydrophobicContact CB-CD1 3.93Å; E446-L493 WeakPolarHBondContact O-CD1 3.2Å
447	V	97.6	Very high	96	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-43.9	174.5	170.2	0	0	0	0	111.2	I435 L436 T443 D444 E445 A451 Y467 L493	I435-V447 HydrophobicContact CB-CG1 4.2Å; I435-V447 HydrophobicContact CD1-CG1 4.15Å; I435-V447 HydrophobicContact CG2-CG1 3.95Å; L436-V447 HydrophobicContact CD2-CG2 3.61Å; L436-V447 HydrophobicContact CG-CG2 3.98Å; T443-V447 WeakPolarHBondContact O-CG2 3.48Å; T443-V447 PolarHBondContact O-N 3.03Å; D444-V447 PolarHBondContact O-N 2.72Å; E445-V447 VanDerWaalsContact C-N 3.3Å; E445-V447 PolarHBondContact O-N 2.93Å; V447-A451 VanDerWaalsContact O-CB 3.31Å; V447-A451 WeakPolarHBondContact O-CB 3.43Å; V447-A451 PolarHBondContact O-N 2.92Å; V447-Y467 HydrophobicContact CG1-CD1 4.16Å; V447-Y467 HydrophobicContact CG1-CE1 4.07Å; V447-L493 HydrophobicContact CG2-CD1 4.36Å; V447-L493 HydrophobicContact CG2-CD2 4.36Å
448	V	97.9	Very high	96.1	Very high	41 Å²	41	61.3 Å²	61.3	25%	0.248	32%	0.323	C	S	.	.	H	α-helix	trans	-65.8	-41.7	177.3	170.8	0	0	0	0	111	D444 E445 A451 K452 Y467	D444-V448 WeakPolarHBondContact O-CG2 3.18Å; D444-V448 PolarHBondContact O-N 3.23Å; E445-V448 PolarHBondContact O-N 3.04Å; V448-A451 PolarHBondContact O-N 3.26Å; V448-K452 HydrophobicContact CG1-CD 4.28Å; V448-K452 WeakPolarHBondContact O-CG 3.3Å; V448-K452 PolarHBondContact O-N 3.47Å; V448-Y467 HydrophobicContact CG2-CE1 4.44Å; V448-Y467 HydrophobicContact CG2-CE2 3.98Å
449	E	97.4	Very high	96.3	Very high	120 Å²	120	61.4 Å²	61.4	56%	0.561	32%	0.319	S	S	*	.	H	α-helix	trans	-61.4	-50.2	176.5	-174.4	177.3	-167	0	0	111.6	E445 E446 A451 K452 M453	E445-E449 PolarHBondContact O-N 2.86Å; E446-E449 PolarHBondContact O-N 3.41Å; E449-A451 VanDerWaalsContact C-N 3.27Å; E449-A451 PolarHBondContact O-N 3.27Å; E449-K452 WeakPolarHBondContact O-CB 3.39Å; E449-K452 PolarHBondContact O-N 3.14Å; E449-M453 WeakPolarHBondContact O-CG 3.36Å; E449-M453 PolarHBondContact O-N 3.36Å
450	A	96.9	Very high	96.4	Very high	4 Å²	4	57.6 Å²	57.6	3%	0.033	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-39.3	177	0	0	0	0	0	112.1	E446 M453 A454 F492 L493	E446-A450 WeakPolarHBondContact O-CB 3.37Å; E446-A450 PolarHBondContact O-N 2.91Å; A450-M453 PolarHBondContact O-N 3.32Å; A450-A454 WeakPolarHBondContact O-CB 3.21Å; A450-A454 PolarHBondContact O-N 3.38Å; A450-F492 HydrophobicContact CB-CB 3.99Å; A450-L493 HydrophobicContact CB-CB 3.88Å; A450-L493 HydrophobicContact CB-CD1 3.95Å
451	A	97.3	Very high	96.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-67.1	-34.2	175	0	0	0	0	0	113	I435 V447 V448 E449 N455 A456 H457 I460 Y467	I435-A451 HydrophobicContact CD1-CB 4.24Å; V447-A451 VanDerWaalsContact O-CB 3.31Å; V447-A451 WeakPolarHBondContact O-CB 3.43Å; V447-A451 PolarHBondContact O-N 2.92Å; V448-A451 PolarHBondContact O-N 3.26Å; E449-A451 VanDerWaalsContact C-N 3.27Å; E449-A451 PolarHBondContact O-N 3.27Å; A451-N455 PolarHBondContact O-N 3.13Å; A451-A456 HydrophobicContact CB-CB 4.33Å; A451-A456 WeakPolarHBondContact O-CA 3.31Å; A451-A456 WeakPolarHBondContact O-CB 3.39Å; A451-A456 PolarHBondContact O-N 3.42Å; A451-H457 PolarHBondContact O-N 3.06Å; A451-H457 VanDerWaalsContact O-N 3.14Å; A451-I460 HydrophobicContact CB-CD1 4.05Å; A451-Y467 HydrophobicContact CB-CE1 3.95Å; A451-Y467 WeakPolarHBondContact CB-OH 3.34Å
452	K	97.5	Very high	96.6	Very high	117 Å²	117	58.6 Å²	58.6	51%	0.509	30%	0.297	S	S	.	.	H	α-helix	trans	-67.9	-46.2	174	-75.2	174	179	177.9	0	111.2	V448 E449 A454 N455 H457	V448-K452 HydrophobicContact CG1-CD 4.28Å; V448-K452 WeakPolarHBondContact O-CG 3.3Å; V448-K452 PolarHBondContact O-N 3.47Å; E449-K452 WeakPolarHBondContact O-CB 3.39Å; E449-K452 PolarHBondContact O-N 3.14Å; K452-A454 PolarHBondContact O-N 3.26Å; K452-N455 PolarHBondContact O-N 3.45Å; K452-H457 HydrophobicContact CB-CB 4.46Å; K452-H457 HydrophobicContact CG-CB 3.61Å
453	M	95.7	Very high	96.5	Very high	79 Å²	79	59.5 Å²	59.5	39%	0.389	30%	0.3	S	S	.	.	H	α-helix	trans	-60.6	-32.6	176.5	-64.7	-178.6	78.5	0	0	112.6	E449 A450 N455 F492 V522	E449-M453 WeakPolarHBondContact O-CG 3.36Å; E449-M453 PolarHBondContact O-N 3.36Å; A450-M453 PolarHBondContact O-N 3.32Å; M453-N455 PolarHBondContact O-N 2.87Å; M453-F492 HydrophobicContact CB-CD1 3.9Å; M453-F492 HydrophobicContact CB-CD2 3.9Å; M453-F492 HydrophobicContact CB-CE1 3.98Å; M453-F492 HydrophobicContact CB-CE2 3.95Å; M453-F492 HydrophobicContact CB-CG 3.86Å; M453-F492 HydrophobicContact CB-CZ 3.98Å; M453-F492 HydrophobicContact CE-CD1 3.63Å; M453-F492 HydrophobicContact CE-CE1 3.59Å; M453-F492 WeakPolarHBondContact O-CE2 3.37Å; M453-F492 HydrophobicContact SD-CD1 3.93Å; M453-F492 HydrophobicContact SD-CE1 4.39Å; M453-F492 HydrophobicContact SD-CG 4.44Å; M453-V522 HydrophobicContact CE-CG1 4.34Å
454	A	94.7	Very high	96.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	7.7	174.9	0	0	0	0	0	114.5	A450 K452 A456 R485 I488 A489 F492	A450-A454 WeakPolarHBondContact O-CB 3.21Å; A450-A454 PolarHBondContact O-N 3.38Å; K452-A454 PolarHBondContact O-N 3.26Å; A454-A456 HydrophobicContact CB-CB 4.26Å; A454-A456 PolarHBondContact O-N 2.69Å; A454-A456 VanDerWaalsContact O-N 3.08Å; A454-R485 WeakPolarHBondContact CB-O 3.42Å; A454-R485 WeakPolarHBondContact O-CG 3.49Å; A454-I488 HydrophobicContact CB-CB 4.31Å; A454-I488 HydrophobicContact CB-CG2 3.91Å; A454-A489 HydrophobicContact CB-CB 3.71Å; A454-F492 HydrophobicContact CB-CD2 3.95Å; A454-F492 HydrophobicContact CB-CE2 4.2Å
455	N	95.6	Very high	96.3	Very high	52 Å²	52	63.6 Å²	63.6	28%	0.278	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	30.1	-172.9	-70.6	-31.4	0	0	0	113.3	A451 K452 M453 R485 I515 E518	A451-N455 PolarHBondContact O-N 3.13Å; K452-N455 PolarHBondContact O-N 3.45Å; M453-N455 PolarHBondContact O-N 2.87Å; N455-R485 VanDerWaalsContact O-CD 3.26Å; N455-R485 WeakPolarHBondContact O-CD 3.25Å; N455-R485 PolarHBondContact O-NH1 2.93Å; N455-I515 HydrophobicContact CB-CG2 3.42Å; N455-I515 VanDerWaalsContact CB-CG2 3.42Å; N455-I515 PolarHBondContact ND2-O 3.36Å; N455-E518 PolarHBondContact ND2-OE2 2.92Å
456	A	95.6	Very high	96.2	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.293	C	S	.	.			trans	-97.6	-27	-175.8	0	0	0	0	0	112.9	A451 A454 D458 F459 I460 R485 L486	A451-A456 HydrophobicContact CB-CB 4.33Å; A451-A456 WeakPolarHBondContact O-CA 3.31Å; A451-A456 WeakPolarHBondContact O-CB 3.39Å; A451-A456 PolarHBondContact O-N 3.42Å; A454-A456 HydrophobicContact CB-CB 4.26Å; A454-A456 PolarHBondContact O-N 2.69Å; A454-A456 VanDerWaalsContact O-N 3.08Å; A456-D458 PolarHBondContact O-N 2.84Å; A456-F459 VanDerWaalsContact CA-CE1 3.43Å; A456-F459 HydrophobicContact CB-CD1 4.24Å; A456-F459 HydrophobicContact CB-CE1 3.55Å; A456-F459 HydrophobicContact CB-CZ 4.27Å; A456-F459 WeakPolarHBondContact O-CD1 3.48Å; A456-F459 WeakPolarHBondContact O-CE1 3.37Å; A456-F459 PolarHBondContact O-N 3.39Å; A456-I460 HydrophobicContact CB-CD1 3.8Å; A456-I460 WeakPolarHBondContact O-CD1 3.47Å; A456-I460 WeakPolarHBondContact O-CG1 3.33Å; A456-I460 PolarHBondContact O-N 3.15Å; A456-I460 VanDerWaalsContact O-N 3.09Å; A456-R485 HydrophobicContact CB-CB 4.06Å; A456-L486 HydrophobicContact CB-CD2 4.44Å
457	H	97.3	Very high	96.2	Very high	39 Å²	39	55.2 Å²	55.2	18%	0.181	29%	0.286	C	S	.	.	H	α-helix	trans	-51.6	-49.5	-172	-177	67.2	0	0	0	113.8	A451 K452 F459 I460 M461 Y467	A451-H457 PolarHBondContact O-N 3.06Å; A451-H457 VanDerWaalsContact O-N 3.14Å; K452-H457 HydrophobicContact CB-CB 4.46Å; K452-H457 HydrophobicContact CG-CB 3.61Å; H457-F459 PolarHBondContact O-N 3Å; H457-I460 WeakPolarHBondContact O-CB 3.37Å; H457-I460 PolarHBondContact O-N 3.08Å; H457-I460 VanDerWaalsContact O-N 3.17Å; H457-M461 WeakPolarHBondContact O-CG 3.49Å; H457-M461 PolarHBondContact O-N 3.45Å; H457-Y467 AromaticContact ND1-CE2 3.78Å; H457-Y467 AromaticContact ND1-CZ 3.76Å; H457-Y467 PolarHBondContact ND1-OH 2.69Å
458	D	95.3	Very high	96.1	Very high	117 Å²	117	59.6 Å²	59.6	63%	0.626	31%	0.309	S	S	*	.	H	α-helix	trans	-65.4	-42.7	-172.9	-61.8	-21	0	0	0	112.5	A456 I460 M461 N462	A456-D458 PolarHBondContact O-N 2.84Å; D458-I460 VanDerWaalsContact C-N 3.31Å; D458-I460 PolarHBondContact O-N 3.14Å; D458-M461 PolarHBondContact O-N 3.32Å; D458-N462 VanDerWaalsContact O-CG 3.3Å; D458-N462 PolarHBondContact O-N 3.14Å; D458-N462 VanDerWaalsContact O-N 3.17Å; D458-N462 PolarHBondContact O-ND2 3.27Å
459	F	94.7	Very high	96	Very high	16 Å²	16	58.4 Å²	58.4	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-70.1	-34	177.2	88.9	-103.9	0	0	0	111.2	A456 H457 M461 N462 L463 L478 Q482 R485 L486	A456-F459 VanDerWaalsContact CA-CE1 3.43Å; A456-F459 HydrophobicContact CB-CD1 4.24Å; A456-F459 HydrophobicContact CB-CE1 3.55Å; A456-F459 HydrophobicContact CB-CZ 4.27Å; A456-F459 WeakPolarHBondContact O-CD1 3.48Å; A456-F459 WeakPolarHBondContact O-CE1 3.37Å; A456-F459 PolarHBondContact O-N 3.39Å; H457-F459 PolarHBondContact O-N 3Å; F459-M461 VanDerWaalsContact C-N 3.34Å; F459-N462 PolarHBondContact O-N 3.41Å; F459-L463 PolarHBondContact O-N 3.35Å; F459-L478 HydrophobicContact CE2-CD2 4.41Å; F459-Q482 HydrophobicContact CD1-CG 4.09Å; F459-Q482 HydrophobicContact CD2-CB 4.2Å; F459-Q482 HydrophobicContact CD2-CG 3.6Å; F459-Q482 HydrophobicContact CE1-CB 4.25Å; F459-Q482 HydrophobicContact CE1-CG 4.13Å; F459-Q482 HydrophobicContact CE2-CB 3.75Å; F459-Q482 HydrophobicContact CE2-CG 3.69Å; F459-Q482 HydrophobicContact CG-CG 3.83Å; F459-Q482 HydrophobicContact CZ-CB 3.77Å; F459-Q482 HydrophobicContact CZ-CG 3.95Å; F459-R485 VanDerWaalsContact CD1-CZ 3.46Å; F459-R485 HydrophobicContact CE1-CB 4.07Å; F459-L486 HydrophobicContact CZ-CD2 3.81Å; F459-L486 HydrophobicContact CZ-CG 3.94Å
460	I	97.1	Very high	95.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-45.8	176.7	-66.5	166.6	0	0	0	109.3	V431 I435 A451 A456 H457 D458 N462 L463 G466 Y467 L486	V431-I460 HydrophobicContact CG1-CD1 3.76Å; V431-I460 HydrophobicContact CG1-CG1 3.88Å; V431-I460 HydrophobicContact CG1-CG2 4.03Å; I435-I460 HydrophobicContact CD1-CD1 4.19Å; A451-I460 HydrophobicContact CB-CD1 4.05Å; A456-I460 HydrophobicContact CB-CD1 3.8Å; A456-I460 WeakPolarHBondContact O-CD1 3.47Å; A456-I460 WeakPolarHBondContact O-CG1 3.33Å; A456-I460 PolarHBondContact O-N 3.15Å; A456-I460 VanDerWaalsContact O-N 3.09Å; H457-I460 WeakPolarHBondContact O-CB 3.37Å; H457-I460 PolarHBondContact O-N 3.08Å; H457-I460 VanDerWaalsContact O-N 3.17Å; D458-I460 VanDerWaalsContact C-N 3.31Å; D458-I460 PolarHBondContact O-N 3.14Å; I460-N462 PolarHBondContact O-N 3.17Å; I460-L463 VanDerWaalsContact O-CB 3.23Å; I460-L463 WeakPolarHBondContact O-CB 3.48Å; I460-L463 WeakPolarHBondContact O-CG 3.49Å; I460-L463 PolarHBondContact O-N 2.94Å; I460-G466 VanDerWaalsContact O-CA 3.26Å; I460-G466 WeakPolarHBondContact O-CA 3.32Å; I460-Y467 HydrophobicContact CD1-CD1 4.49Å; I460-Y467 HydrophobicContact CD1-CE1 3.9Å; I460-Y467 HydrophobicContact CG2-CD1 3.86Å; I460-Y467 HydrophobicContact CG2-CD2 3.72Å; I460-Y467 HydrophobicContact CG2-CE1 4.01Å; I460-Y467 HydrophobicContact CG2-CE2 3.85Å; I460-Y467 HydrophobicContact CG2-CG 3.72Å; I460-L486 HydrophobicContact CD1-CD2 3.75Å; I460-L486 HydrophobicContact CG1-CD2 4.2Å
461	M	97.3	Very high	95.6	Very high	105 Å²	105	57.8 Å²	57.8	52%	0.517	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-24.6	177.9	-68.7	-56.4	-62	0	0	113.4	H457 D458 F459 L463 Y467	H457-M461 WeakPolarHBondContact O-CG 3.49Å; H457-M461 PolarHBondContact O-N 3.45Å; D458-M461 PolarHBondContact O-N 3.32Å; F459-M461 VanDerWaalsContact C-N 3.34Å; M461-L463 VanDerWaalsContact C-N 3.29Å; M461-Y467 HydrophobicContact SD-CD2 4.22Å; M461-Y467 HydrophobicContact SD-CE2 4.03Å
462	N	95.6	Very high	95.2	Very high	143 Å²	143	58.2 Å²	58.2	77%	0.765	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-7.7	173.1	-69.4	-28.4	0	0	0	113.7	D458 F459 I460	D458-N462 VanDerWaalsContact O-CG 3.3Å; D458-N462 PolarHBondContact O-N 3.14Å; D458-N462 VanDerWaalsContact O-N 3.17Å; D458-N462 PolarHBondContact O-ND2 3.27Å; F459-N462 PolarHBondContact O-N 3.41Å; I460-N462 PolarHBondContact O-N 3.17Å
463	L	95.2	Very high	94.5	Very high	30 Å²	30	58.4 Å²	58.4	16%	0.157	31%	0.306	C	S	.	.	S	Bend	trans	-74.1	152.3	173.5	-61	174.3	0	0	0	110.8	V431 F459 I460 M461 Q465 G466 T469 L478	V431-L463 HydrophobicContact CG2-CD1 3.76Å; F459-L463 PolarHBondContact O-N 3.35Å; I460-L463 VanDerWaalsContact O-CB 3.23Å; I460-L463 WeakPolarHBondContact O-CB 3.48Å; I460-L463 WeakPolarHBondContact O-CG 3.49Å; I460-L463 PolarHBondContact O-N 2.94Å; M461-L463 VanDerWaalsContact C-N 3.29Å; L463-Q465 PolarHBondContact O-N 2.88Å; L463-G466 PolarHBondContact O-N 2.94Å; L463-T469 HydrophobicContact CB-CG2 4.06Å; L463-T469 VanDerWaalsContact CB-OG1 3.22Å; L463-T469 WeakPolarHBondContact CB-OG1 3.44Å; L463-T469 HydrophobicContact CD1-CG2 4.19Å; L463-L478 HydrophobicContact CD1-CD2 4.34Å; L463-L478 HydrophobicContact CD2-CD2 4.12Å
464	P	92.6	Very high	93.8	Very high	126 Å²	126	59.7 Å²	59.7	82%	0.818	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-28.7	-174.8	-28.2	35.2	0	0	0	115.7
465	Q	95.4	Very high	93.2	Very high	127 Å²	127	59.7 Å²	59.7	59%	0.593	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.5	21.2	-179.9	-64.6	175.4	-11.6	0	0	111.9	L463 Y467 D468 T469	L463-Q465 PolarHBondContact O-N 2.88Å; Q465-Y467 PolarHBondContact O-N 3.49Å; Q465-D468 HydrophobicContact CB-CB 4.39Å; Q465-D468 PolarHBondContact O-N 2.92Å; Q465-D468 PolarHBondContact OE1-O 2.87Å; Q465-T469 VanDerWaalsContact C-OG1 3.27Å; Q465-T469 WeakPolarHBondContact CA-OG1 3.31Å; Q465-T469 PolarHBondContact N-OG1 3.38Å; Q465-T469 VanDerWaalsContact N-OG1 3.07Å
466	G	95.9	Very high	92.6	Very high	13 Å²	13	62.5 Å²	62.5	13%	0.134	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	56.2	-131.1	-178.6	0	0	0	0	0	112.2	I460 L463 D468 T469	I460-G466 VanDerWaalsContact O-CA 3.26Å; I460-G466 WeakPolarHBondContact O-CA 3.32Å; L463-G466 PolarHBondContact O-N 2.94Å; G466-D468 PolarHBondContact O-N 2.78Å; G466-T469 PolarHBondContact N-OG1 2.83Å; G466-T469 VanDerWaalsContact O-CB 3.29Å; G466-T469 WeakPolarHBondContact O-CB 3.36Å; G466-T469 PolarHBondContact O-N 2.74Å; G466-T469 PolarHBondContact O-OG1 3.49Å
467	Y	97	Very high	92.2	Very high	29 Å²	29	68.8 Å²	68.8	11%	0.114	35%	0.353	C	S	.	.	G	3₁₀ helix	trans	-62.9	-24.6	176.1	-76.9	-89.3	0	0	0	114.4	V431 K432 I435 V447 V448 A451 H457 I460 M461 Q465 T469	V431-Y467 WeakPolarHBondContact CB-O 3.29Å; V431-Y467 HydrophobicContact CG1-CD1 4.41Å; V431-Y467 PolarHBondContact N-O 3.43Å; K432-Y467 WeakPolarHBondContact CB-O 3.38Å; K432-Y467 PolarHBondContact N-O 3.25Å; I435-Y467 HydrophobicContact CD1-CD1 4.44Å; I435-Y467 HydrophobicContact CD1-CE1 4.14Å; V447-Y467 HydrophobicContact CG1-CD1 4.16Å; V447-Y467 HydrophobicContact CG1-CE1 4.07Å; V448-Y467 HydrophobicContact CG2-CE1 4.44Å; V448-Y467 HydrophobicContact CG2-CE2 3.98Å; A451-Y467 HydrophobicContact CB-CE1 3.95Å; A451-Y467 WeakPolarHBondContact CB-OH 3.34Å; H457-Y467 AromaticContact ND1-CE2 3.78Å; H457-Y467 AromaticContact ND1-CZ 3.76Å; H457-Y467 PolarHBondContact ND1-OH 2.69Å; I460-Y467 HydrophobicContact CD1-CD1 4.49Å; I460-Y467 HydrophobicContact CD1-CE1 3.9Å; I460-Y467 HydrophobicContact CG2-CD1 3.86Å; I460-Y467 HydrophobicContact CG2-CD2 3.72Å; I460-Y467 HydrophobicContact CG2-CE1 4.01Å; I460-Y467 HydrophobicContact CG2-CE2 3.85Å; I460-Y467 HydrophobicContact CG2-CG 3.72Å; M461-Y467 HydrophobicContact SD-CD2 4.22Å; M461-Y467 HydrophobicContact SD-CE2 4.03Å; Q465-Y467 PolarHBondContact O-N 3.49Å; Y467-T469 VanDerWaalsContact C-N 3.25Å; Y467-T469 PolarHBondContact O-N 2.91Å
468	D	96.8	Very high	91.8	Very high	94 Å²	94	67.6 Å²	67.6	50%	0.503	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-85.5	0.8	179.4	-62.6	-45.7	0	0	0	112.5	T430 Q465 G466 E470	T430-D468 VanDerWaalsContact CG2-O 3.25Å; T430-D468 WeakPolarHBondContact CG2-O 3.27Å; Q465-D468 HydrophobicContact CB-CB 4.39Å; Q465-D468 PolarHBondContact O-N 2.92Å; Q465-D468 PolarHBondContact OE1-O 2.87Å; G466-D468 PolarHBondContact O-N 2.78Å; D468-E470 PolarHBondContact O-N 3.38Å
469	T	96.1	Very high	91.5	Very high	16 Å²	16	64.8 Å²	64.8	10%	0.098	34%	0.337	C	S	.	.			trans	-65.5	121.8	177.6	-54.3	0	0	0	0	111.1	T430 V431 L463 Q465 G466 Y467 V471	T430-T469 CarbonylContact C-O 3.49Å; T430-T469 WeakPolarHBondContact CA-O 3.43Å; V431-T469 PolarHBondContact N-O 3.25Å; L463-T469 HydrophobicContact CB-CG2 4.06Å; L463-T469 VanDerWaalsContact CB-OG1 3.22Å; L463-T469 WeakPolarHBondContact CB-OG1 3.44Å; L463-T469 HydrophobicContact CD1-CG2 4.19Å; Q465-T469 VanDerWaalsContact C-OG1 3.27Å; Q465-T469 WeakPolarHBondContact CA-OG1 3.31Å; Q465-T469 PolarHBondContact N-OG1 3.38Å; Q465-T469 VanDerWaalsContact N-OG1 3.07Å; G466-T469 PolarHBondContact N-OG1 2.83Å; G466-T469 VanDerWaalsContact O-CB 3.29Å; G466-T469 WeakPolarHBondContact O-CB 3.36Å; G466-T469 PolarHBondContact O-N 2.74Å; G466-T469 PolarHBondContact O-OG1 3.49Å; Y467-T469 VanDerWaalsContact C-N 3.25Å; Y467-T469 PolarHBondContact O-N 2.91Å; T469-V471 PolarHBondContact O-N 2.84Å
470	E	94.9	Very high	91.2	Very high	109 Å²	109	66.1 Å²	66.1	51%	0.509	36%	0.355	S	S	.	.	B	Isolated β-bridge	trans	-70.2	121.7	171	-68.7	-177.9	-179.7	0	0	112.2	D429 T430 D468 G472 K477	D429-E470 WeakPolarHBondContact O-CA 3.39Å; T430-E470 HydrophobicContact CG2-CG 4.41Å; D468-E470 PolarHBondContact O-N 3.38Å; E470-G472 VanDerWaalsContact C-N 3.32Å; E470-G472 PolarHBondContact O-N 2.96Å; E470-K477 WeakPolarHBondContact O-CD 2.76Å; E470-K477 PolarHBondContact O-NZ 2.99Å
471	V	90.9	Very high	90.9	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.006	36%	0.356	C	S	.	.			trans	-79.4	-14.7	-175.3	-56.3	0	0	0	0	113.8	L426 F427 D429 V431 T469 G475 V476 K477 L478	L426-V471 HydrophobicContact CB-CG2 3.96Å; L426-V471 HydrophobicContact CD1-CB 4.47Å; L426-V471 HydrophobicContact CD1-CG2 4.23Å; F427-V471 VanDerWaalsContact O-CG2 3.27Å; F427-V471 WeakPolarHBondContact O-CG2 3.29Å; D429-V471 PolarHBondContact O-N 3.46Å; V431-V471 HydrophobicContact CG2-CG1 3.53Å; T469-V471 PolarHBondContact O-N 2.84Å; V471-G475 CarbonylContact O-C 3.52Å; V471-G475 WeakPolarHBondContact O-CA 3.44Å; V471-V476 PolarHBondContact O-N 2.79Å; V471-K477 WeakPolarHBondContact O-CB 3.11Å; V471-K477 WeakPolarHBondContact O-CG 3.49Å; V471-K477 PolarHBondContact O-N 3.49Å; V471-L478 HydrophobicContact CB-CD1 4.08Å; V471-L478 HydrophobicContact CB-CG 4.37Å; V471-L478 HydrophobicContact CG1-CD1 3.64Å; V471-L478 HydrophobicContact CG1-CG 4.24Å
472	G	87.8	Confident	90.7	Very high	10 Å²	10	63.1 Å²	63.1	10%	0.103	34%	0.34	C	S	.	.			trans	76.7	175.5	-175.6	0	0	0	0	0	113.6	E470 R474 G475	E470-G472 VanDerWaalsContact C-N 3.32Å; E470-G472 PolarHBondContact O-N 2.96Å; G472-R474 PolarHBondContact O-N 3.46Å; G472-G475 PolarHBondContact O-N 3.22Å
473	E	82.2	Confident	90.5	Very high	121 Å²	121	58.4 Å²	58.4	57%	0.565	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-54.7	126.1	179.8	-172.6	177.7	-178.9	0	0	111.1	G475 V476	E473-G475 PolarHBondContact O-N 3.31Å; E473-V476 VanDerWaalsContact O-CG1 3.26Å; E473-V476 WeakPolarHBondContact O-CG1 3.45Å; E473-V476 WeakPolarHBondContact O-CG2 3.4Å; E473-V476 PolarHBondContact O-N 3.49Å
474	R	81.2	Confident	90.3	Very high	106 Å²	106	57.5 Å²	57.5	40%	0.4	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	53.7	23.4	-176.5	-62	-178	174.5	170.6	0.7	114.2	L426 G472 V476 K483	L426-R474 WeakPolarHBondContact O-CA 3.48Å; L426-R474 PolarHBondContact O-N 3.07Å; G472-R474 PolarHBondContact O-N 3.46Å; R474-V476 VanDerWaalsContact C-N 3.31Å; R474-V476 PolarHBondContact O-N 3.36Å; R474-K483 PolarHBondContact O-NZ 3.46Å
475	G	82.7	Confident	90.3	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	63.2	32.6	-179.7	0	0	0	0	0	114	V471 G472 E473 K477 L478 K483	V471-G475 CarbonylContact O-C 3.52Å; V471-G475 WeakPolarHBondContact O-CA 3.44Å; G472-G475 PolarHBondContact O-N 3.22Å; E473-G475 PolarHBondContact O-N 3.31Å; G475-K477 PolarHBondContact O-N 2.91Å; G475-L478 PolarHBondContact O-N 2.91Å; G475-K483 WeakPolarHBondContact O-CE 3.36Å; G475-K483 PolarHBondContact O-NZ 3.46Å
476	V	83.1	Confident	90.3	Very high	110 Å²	110	46.9 Å²	46.9	67%	0.667	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-21.2	-177.6	-75.7	0	0	0	0	114.8	V471 E473 R474 L478	V471-V476 PolarHBondContact O-N 2.79Å; E473-V476 VanDerWaalsContact O-CG1 3.26Å; E473-V476 WeakPolarHBondContact O-CG1 3.45Å; E473-V476 WeakPolarHBondContact O-CG2 3.4Å; E473-V476 PolarHBondContact O-N 3.49Å; R474-V476 VanDerWaalsContact C-N 3.31Å; R474-V476 PolarHBondContact O-N 3.36Å; V476-L478 VanDerWaalsContact C-N 3.3Å
477	K	86.1	Confident	90.1	Very high	133 Å²	133	46.4 Å²	46.4	58%	0.578	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-7.5	177	-59.5	-177.1	-167.7	165	0	114	E470 V471 G475	E470-K477 WeakPolarHBondContact O-CD 2.76Å; E470-K477 PolarHBondContact O-NZ 2.99Å; V471-K477 WeakPolarHBondContact O-CB 3.11Å; V471-K477 WeakPolarHBondContact O-CG 3.49Å; V471-K477 PolarHBondContact O-N 3.49Å; G475-K477 PolarHBondContact O-N 2.91Å
478	L	90	Very high	90	Very high	13 Å²	13	45 Å²	45	7%	0.068	24%	0.236	C	C	.	.	S	Bend	trans	-111.2	144.8	-176.6	-61.2	-177.3	0	0	0	111.3	L426 F459 L463 V471 G475 V476 Q482 K483 L486	L426-L478 HydrophobicContact CD1-CD1 3.71Å; F459-L478 HydrophobicContact CE2-CD2 4.41Å; L463-L478 HydrophobicContact CD1-CD2 4.34Å; L463-L478 HydrophobicContact CD2-CD2 4.12Å; V471-L478 HydrophobicContact CB-CD1 4.08Å; V471-L478 HydrophobicContact CB-CG 4.37Å; V471-L478 HydrophobicContact CG1-CD1 3.64Å; V471-L478 HydrophobicContact CG1-CG 4.24Å; G475-L478 PolarHBondContact O-N 2.91Å; V476-L478 VanDerWaalsContact C-N 3.3Å; L478-Q482 HydrophobicContact CB-CB 4.06Å; L478-Q482 HydrophobicContact CD2-CB 4.49Å; L478-K483 HydrophobicContact CB-CG 3.93Å; L478-K483 WeakPolarHBondContact O-CE 3.06Å; L478-L486 HydrophobicContact CD1-CD1 3.5Å; L478-L486 VanDerWaalsContact CD1-CD1 3.5Å
479	S	89.5	Confident	90	Very high	58 Å²	58	40.6 Å²	40.6	41%	0.406	21%	0.212	S	C	.	.			trans	-65.6	159.7	168.9	63	0	0	0	0	111.6	G481 Q482 K483	S479-G481 VanDerWaalsContact C-N 3.34Å; S479-G481 PolarHBondContact O-N 2.79Å; S479-Q482 WeakPolarHBondContact O-CB 3.13Å; S479-Q482 PolarHBondContact O-N 2.89Å; S479-Q482 VanDerWaalsContact O-N 3.11Å; S479-Q482 WeakPolarHBondContact OG-CB 3.43Å; S479-Q482 WeakPolarHBondContact OG-CG 3.44Å; S479-Q482 PolarHBondContact OG-N 3.34Å; S479-Q482 PolarHBondContact OG-OE1 3.31Å; S479-K483 WeakPolarHBondContact O-CG 3.47Å; S479-K483 PolarHBondContact O-N 3.14Å
480	G	88.2	Confident	89.9	Confident	44 Å²	44	41.7 Å²	41.7	45%	0.454	21%	0.214	S	C	.	.	H	α-helix	trans	-53.5	-47.9	177.9	0	0	0	0	0	112.8	Q482 K483 Q484	G480-Q482 VanDerWaalsContact C-N 3.31Å; G480-Q482 PolarHBondContact O-N 2.7Å; G480-K483 PolarHBondContact O-N 3.49Å; G480-Q484 PolarHBondContact O-N 3.1Å
481	G	90	Very high	89.9	Confident	2 Å²	2	36.9 Å²	36.9	2%	0.021	19%	0.192	C	C	.	.	H	α-helix	trans	-63.4	-33.2	178.1	0	0	0	0	0	113.7	S479 R485	S479-G481 VanDerWaalsContact C-N 3.34Å; S479-G481 PolarHBondContact O-N 2.79Å; G481-R485 WeakPolarHBondContact O-CG 3.49Å; G481-R485 PolarHBondContact O-N 3.12Å; G481-R485 VanDerWaalsContact O-N 3.11Å; G481-R485 PolarHBondContact O-NE 3.29Å
482	Q	92.5	Very high	90.2	Very high	40 Å²	40	37.5 Å²	37.5	19%	0.187	19%	0.194	C	C	.	.	H	α-helix	trans	-68.2	-43.8	173.5	-73.2	167.3	-32.3	0	0	111.8	F459 L478 S479 G480 Q484 R485 L486	F459-Q482 HydrophobicContact CD1-CG 4.09Å; F459-Q482 HydrophobicContact CD2-CB 4.2Å; F459-Q482 HydrophobicContact CD2-CG 3.6Å; F459-Q482 HydrophobicContact CE1-CB 4.25Å; F459-Q482 HydrophobicContact CE1-CG 4.13Å; F459-Q482 HydrophobicContact CE2-CB 3.75Å; F459-Q482 HydrophobicContact CE2-CG 3.69Å; F459-Q482 HydrophobicContact CG-CG 3.83Å; F459-Q482 HydrophobicContact CZ-CB 3.77Å; F459-Q482 HydrophobicContact CZ-CG 3.95Å; L478-Q482 HydrophobicContact CB-CB 4.06Å; L478-Q482 HydrophobicContact CD2-CB 4.49Å; S479-Q482 WeakPolarHBondContact O-CB 3.13Å; S479-Q482 PolarHBondContact O-N 2.89Å; S479-Q482 VanDerWaalsContact O-N 3.11Å; S479-Q482 WeakPolarHBondContact OG-CB 3.43Å; S479-Q482 WeakPolarHBondContact OG-CG 3.44Å; S479-Q482 PolarHBondContact OG-N 3.34Å; S479-Q482 PolarHBondContact OG-OE1 3.31Å; G480-Q482 VanDerWaalsContact C-N 3.31Å; G480-Q482 PolarHBondContact O-N 2.7Å; Q482-Q484 VanDerWaalsContact C-N 3.29Å; Q482-Q484 PolarHBondContact O-N 2.81Å; Q482-R485 PolarHBondContact O-N 2.87Å; Q482-L486 WeakPolarHBondContact O-CG 3.47Å; Q482-L486 PolarHBondContact O-N 3.2Å
483	K	92.3	Very high	90.6	Very high	45 Å²	45	37.3 Å²	37.3	20%	0.196	19%	0.191	C	C	.	.	H	α-helix	trans	-62	-39.1	176.6	-59.6	-175.5	-151.3	-168	0	112.1	N424 L426 R474 G475 L478 S479 G480 L486 S487	N424-K483 HydrophobicContact CB-CB 4.49Å; L426-K483 HydrophobicContact CD1-CB 4.18Å; L426-K483 HydrophobicContact CD1-CG 3.87Å; L426-K483 HydrophobicContact CG-CB 4.47Å; L426-K483 HydrophobicContact CG-CG 4.4Å; R474-K483 PolarHBondContact O-NZ 3.46Å; G475-K483 WeakPolarHBondContact O-CE 3.36Å; G475-K483 PolarHBondContact O-NZ 3.46Å; L478-K483 HydrophobicContact CB-CG 3.93Å; L478-K483 WeakPolarHBondContact O-CE 3.06Å; S479-K483 WeakPolarHBondContact O-CG 3.47Å; S479-K483 PolarHBondContact O-N 3.14Å; G480-K483 PolarHBondContact O-N 3.49Å; K483-L486 PolarHBondContact O-N 3.45Å; K483-S487 PolarHBondContact O-N 2.87Å; K483-S487 PolarHBondContact O-OG 3.39Å
484	Q	91.1	Very high	91.1	Very high	11 Å²	11	33 Å²	33	5%	0.051	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-49.8	176.4	-156.8	71.7	18.7	0	0	111.1	N424 G480 Q482 L486 S487 I488 A504 I516	N424-Q484 PolarHBondContact ND2-NE2 3.17Å; N424-Q484 VanDerWaalsContact ND2-NE2 3.14Å; N424-Q484 PolarHBondContact ND2-OE1 3.38Å; G480-Q484 PolarHBondContact O-N 3.1Å; Q482-Q484 VanDerWaalsContact C-N 3.29Å; Q482-Q484 PolarHBondContact O-N 2.81Å; Q484-L486 VanDerWaalsContact C-N 3.33Å; Q484-L486 PolarHBondContact O-N 3.41Å; Q484-S487 WeakPolarHBondContact O-CA 3.45Å; Q484-S487 WeakPolarHBondContact O-CB 3.46Å; Q484-S487 PolarHBondContact O-N 2.89Å; Q484-I488 HydrophobicContact CG-CD1 4.31Å; Q484-I488 WeakPolarHBondContact O-CG1 3.14Å; Q484-I488 PolarHBondContact O-N 3.48Å; Q484-A504 WeakPolarHBondContact CG-O 3.47Å; Q484-A504 PolarHBondContact NE2-O 3.3Å; Q484-I516 HydrophobicContact CB-CD1 3.65Å; Q484-I516 HydrophobicContact CB-CG1 4.48Å; Q484-I516 HydrophobicContact CG-CD1 3.89Å; Q484-I516 HydrophobicContact CG-CG1 4.47Å; Q484-I516 HydrophobicContact CG-CG2 4.26Å
485	R	93.4	Very high	91.7	Very high	29 Å²	29	32.8 Å²	32.8	11%	0.109	18%	0.179	C	C	.	.	H	α-helix	trans	-61.1	-38.3	178.8	-74.6	-173.1	-72.5	-174.5	-11.3	112.8	A454 N455 A456 F459 G481 Q482 S487 I488 A489 I516	A454-R485 WeakPolarHBondContact CB-O 3.42Å; A454-R485 WeakPolarHBondContact O-CG 3.49Å; N455-R485 VanDerWaalsContact O-CD 3.26Å; N455-R485 WeakPolarHBondContact O-CD 3.25Å; N455-R485 PolarHBondContact O-NH1 2.93Å; A456-R485 HydrophobicContact CB-CB 4.06Å; F459-R485 VanDerWaalsContact CD1-CZ 3.46Å; F459-R485 HydrophobicContact CE1-CB 4.07Å; G481-R485 WeakPolarHBondContact O-CG 3.49Å; G481-R485 PolarHBondContact O-N 3.12Å; G481-R485 VanDerWaalsContact O-N 3.11Å; G481-R485 PolarHBondContact O-NE 3.29Å; Q482-R485 PolarHBondContact O-N 2.87Å; R485-S487 VanDerWaalsContact C-N 3.3Å; R485-S487 PolarHBondContact O-N 3.23Å; R485-I488 PolarHBondContact O-N 3.34Å; R485-A489 WeakPolarHBondContact O-CB 3.25Å; R485-A489 PolarHBondContact O-N 2.87Å; R485-I516 HydrophobicContact CG-CD1 4.22Å; R485-I516 HydrophobicContact CG-CG1 3.75Å
486	L	94.5	Very high	92.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.7	-37.3	172.2	-66	-174.8	0	0	0	112.3	L426 V431 I435 A456 F459 I460 L478 Q482 K483 Q484 A489 R490	L426-L486 HydrophobicContact CD1-CD1 3.78Å; L426-L486 HydrophobicContact CD2-CB 4.35Å; V431-L486 HydrophobicContact CG1-CD1 4.24Å; V431-L486 HydrophobicContact CG1-CD2 3.69Å; V431-L486 HydrophobicContact CG2-CD1 4.39Å; I435-L486 HydrophobicContact CD1-CD2 4.04Å; I435-L486 HydrophobicContact CG1-CD2 4.19Å; A456-L486 HydrophobicContact CB-CD2 4.44Å; F459-L486 HydrophobicContact CZ-CD2 3.81Å; F459-L486 HydrophobicContact CZ-CG 3.94Å; I460-L486 HydrophobicContact CD1-CD2 3.75Å; I460-L486 HydrophobicContact CG1-CD2 4.2Å; L478-L486 HydrophobicContact CD1-CD1 3.5Å; L478-L486 VanDerWaalsContact CD1-CD1 3.5Å; Q482-L486 WeakPolarHBondContact O-CG 3.47Å; Q482-L486 PolarHBondContact O-N 3.2Å; K483-L486 PolarHBondContact O-N 3.45Å; Q484-L486 VanDerWaalsContact C-N 3.33Å; Q484-L486 PolarHBondContact O-N 3.41Å; L486-A489 WeakPolarHBondContact O-CB 3.26Å; L486-A489 PolarHBondContact O-N 3.37Å; L486-R490 WeakPolarHBondContact O-CG 3.36Å; L486-R490 PolarHBondContact O-N 3.27Å; L486-R490 VanDerWaalsContact O-N 3.15Å
487	S	92.5	Very high	92.9	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.028	16%	0.16	C	C	.	.	H	α-helix	trans	-69.9	-37.5	178.7	-56	0	0	0	0	111.8	N424 K483 Q484 R485 R490	N424-S487 VanDerWaalsContact CB-OG 3.3Å; N424-S487 WeakPolarHBondContact CB-OG 3.45Å; N424-S487 WeakPolarHBondContact OD1-CB 3.43Å; N424-S487 PolarHBondContact OD1-OG 3.37Å; K483-S487 PolarHBondContact O-N 2.87Å; K483-S487 PolarHBondContact O-OG 3.39Å; Q484-S487 WeakPolarHBondContact O-CA 3.45Å; Q484-S487 WeakPolarHBondContact O-CB 3.46Å; Q484-S487 PolarHBondContact O-N 2.89Å; R485-S487 VanDerWaalsContact C-N 3.3Å; R485-S487 PolarHBondContact O-N 3.23Å; S487-R490 WeakPolarHBondContact O-CB 3.29Å; S487-R490 PolarHBondContact O-N 2.9Å
488	I	94	Very high	93.4	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64	-41.3	170.9	-68.1	167.9	0	0	0	110.9	V420 A454 Q484 R485 R490 I491 F492 I516 A519 L520 L523	V420-I488 HydrophobicContact CG2-CG1 4.22Å; A454-I488 HydrophobicContact CB-CB 4.31Å; A454-I488 HydrophobicContact CB-CG2 3.91Å; Q484-I488 HydrophobicContact CG-CD1 4.31Å; Q484-I488 WeakPolarHBondContact O-CG1 3.14Å; Q484-I488 PolarHBondContact O-N 3.48Å; R485-I488 PolarHBondContact O-N 3.34Å; I488-R490 VanDerWaalsContact C-N 3.27Å; I488-R490 PolarHBondContact O-N 3.41Å; I488-I491 WeakPolarHBondContact O-CB 3.36Å; I488-I491 PolarHBondContact O-N 3.28Å; I488-F492 HydrophobicContact CG2-CD2 3.68Å; I488-F492 HydrophobicContact CG2-CE2 3.45Å; I488-F492 VanDerWaalsContact CG2-CE2 3.45Å; I488-F492 PolarHBondContact O-N 2.96Å; I488-I516 HydrophobicContact CD1-CG1 4.46Å; I488-I516 HydrophobicContact CD1-CG2 3.81Å; I488-A519 HydrophobicContact CG2-CB 4.33Å; I488-L520 HydrophobicContact CD1-CD2 3.84Å; I488-L520 HydrophobicContact CD1-CG 4.12Å; I488-L520 HydrophobicContact CG1-CD2 4.1Å; I488-L523 HydrophobicContact CG2-CD2 4.3Å
489	A	96.1	Very high	93.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.2	-36.3	175.9	0	0	0	0	0	112.6	I435 A454 R485 L486 I491 F492 L493	I435-A489 HydrophobicContact CD1-CB 4.39Å; I435-A489 HydrophobicContact CG1-CB 4.2Å; I435-A489 HydrophobicContact CG2-CB 4.29Å; A454-A489 HydrophobicContact CB-CB 3.71Å; R485-A489 WeakPolarHBondContact O-CB 3.25Å; R485-A489 PolarHBondContact O-N 2.87Å; L486-A489 WeakPolarHBondContact O-CB 3.26Å; L486-A489 PolarHBondContact O-N 3.37Å; A489-I491 PolarHBondContact O-N 2.95Å; A489-F492 PolarHBondContact O-N 3.01Å; A489-L493 WeakPolarHBondContact O-CB 3.45Å; A489-L493 PolarHBondContact O-N 3.33Å
490	R	95.3	Very high	93.9	Very high	39 Å²	39	19.9 Å²	19.9	15%	0.147	11%	0.11	C	C	.	.	H	α-helix	trans	-57.1	-38.7	173	-63.9	167.3	-179.4	167.7	-9.9	111.6	I425 N434 G438 L486 S487 I488 N494	I425-R490 PolarHBondContact O-NH1 3.01Å; I425-R490 PolarHBondContact O-NH2 3.47Å; N434-R490 WeakPolarHBondContact O-CG 3.46Å; N434-R490 PolarHBondContact O-NE 3.04Å; N434-R490 PolarHBondContact OD1-NH2 2.88Å; G438-R490 WeakPolarHBondContact CA-O 3.4Å; L486-R490 WeakPolarHBondContact O-CG 3.36Å; L486-R490 PolarHBondContact O-N 3.27Å; L486-R490 VanDerWaalsContact O-N 3.15Å; S487-R490 WeakPolarHBondContact O-CB 3.29Å; S487-R490 PolarHBondContact O-N 2.9Å; I488-R490 VanDerWaalsContact C-N 3.27Å; I488-R490 PolarHBondContact O-N 3.41Å; R490-N494 PolarHBondContact O-N 2.91Å; R490-N494 VanDerWaalsContact O-N 3.15Å
491	I	94.9	Very high	94.1	Very high	8 Å²	8	18 Å²	18	4%	0.041	9%	0.09	C	C	.	.	H	α-helix	trans	-77.7	-40.4	-177.8	-56.3	179	0	0	0	111.1	V420 I488 A489 L493 N494 N495 P496 L499 L523	V420-I491 HydrophobicContact CB-CD1 4.37Å; V420-I491 HydrophobicContact CG2-CD1 3.19Å; I488-I491 WeakPolarHBondContact O-CB 3.36Å; I488-I491 PolarHBondContact O-N 3.28Å; A489-I491 PolarHBondContact O-N 2.95Å; I491-L493 VanDerWaalsContact C-N 3.25Å; I491-L493 PolarHBondContact O-N 2.84Å; I491-N494 PolarHBondContact O-N 2.75Å; I491-N495 WeakPolarHBondContact O-CA 3.39Å; I491-N495 PolarHBondContact O-N 3.37Å; I491-P496 HydrophobicContact CG2-CG 3.69Å; I491-P496 VanDerWaalsContact O-CD 3.29Å; I491-P496 WeakPolarHBondContact O-CD 3.35Å; I491-L499 HydrophobicContact CG2-CD2 3.56Å; I491-L523 HydrophobicContact CB-CD2 4.24Å; I491-L523 HydrophobicContact CG2-CD1 3.98Å; I491-L523 HydrophobicContact CG2-CD2 4Å; I491-L523 HydrophobicContact CG2-CG 4.5Å
492	F	96	Very high	94.1	Very high	14 Å²	14	18.7 Å²	18.7	6%	0.061	9%	0.093	C	C	.	.	H	α-helix	trans	-57.4	-42.1	171.2	-81.6	-63.3	0	0	0	111.5	A450 M453 A454 I488 A489 N494 N495 A519 V522 L523	A450-F492 HydrophobicContact CB-CB 3.99Å; M453-F492 HydrophobicContact CB-CD1 3.9Å; M453-F492 HydrophobicContact CB-CD2 3.9Å; M453-F492 HydrophobicContact CB-CE1 3.98Å; M453-F492 HydrophobicContact CB-CE2 3.95Å; M453-F492 HydrophobicContact CB-CG 3.86Å; M453-F492 HydrophobicContact CB-CZ 3.98Å; M453-F492 HydrophobicContact CE-CD1 3.63Å; M453-F492 HydrophobicContact CE-CE1 3.59Å; M453-F492 WeakPolarHBondContact O-CE2 3.37Å; M453-F492 HydrophobicContact SD-CD1 3.93Å; M453-F492 HydrophobicContact SD-CE1 4.39Å; M453-F492 HydrophobicContact SD-CG 4.44Å; A454-F492 HydrophobicContact CB-CD2 3.95Å; A454-F492 HydrophobicContact CB-CE2 4.2Å; I488-F492 HydrophobicContact CG2-CD2 3.68Å; I488-F492 HydrophobicContact CG2-CE2 3.45Å; I488-F492 VanDerWaalsContact CG2-CE2 3.45Å; I488-F492 PolarHBondContact O-N 2.96Å; A489-F492 PolarHBondContact O-N 3.01Å; F492-N494 PolarHBondContact O-N 2.68Å; F492-N495 PolarHBondContact O-N 2.97Å; F492-A519 WeakPolarHBondContact CZ-O 3.38Å; F492-V522 HydrophobicContact CE1-CG1 4.19Å; F492-V522 HydrophobicContact CZ-CB 4.41Å; F492-V522 HydrophobicContact CZ-CG1 4.18Å; F492-L523 HydrophobicContact CD1-CD1 3.57Å; F492-L523 HydrophobicContact CD2-CD1 4.31Å; F492-L523 HydrophobicContact CE1-CB 3.85Å; F492-L523 HydrophobicContact CE1-CD1 3.49Å; F492-L523 VanDerWaalsContact CE1-CD1 3.49Å; F492-L523 HydrophobicContact CE1-CG 4.26Å; F492-L523 HydrophobicContact CE2-CB 4.2Å; F492-L523 HydrophobicContact CE2-CD1 4.27Å; F492-L523 HydrophobicContact CG-CD1 3.98Å; F492-L523 HydrophobicContact CZ-CB 3.56Å; F492-L523 HydrophobicContact CZ-CD1 3.89Å; F492-L523 HydrophobicContact CZ-CG 4.24Å
493	L	96.4	Very high	93.7	Very high	6 Å²	6	18.3 Å²	18.3	3%	0.031	9%	0.091	C	C	.	.	H	α-helix	trans	-65.4	-38.1	179.6	-167.5	72.6	0	0	0	113.4	I435 L436 R439 A442 E446 V447 A450 A489 I491	I435-L493 HydrophobicContact CG2-CD2 4.1Å; I435-L493 WeakPolarHBondContact O-CD2 3.26Å; L436-L493 HydrophobicContact CD2-CD2 4.49Å; R439-L493 HydrophobicContact CB-CD2 4.08Å; R439-L493 HydrophobicContact CB-CG 4.08Å; R439-L493 PolarHBondContact NE-O 3.41Å; R439-L493 PolarHBondContact NH2-O 2.93Å; A442-L493 HydrophobicContact CB-CD1 3.7Å; A442-L493 HydrophobicContact CB-CD2 3.86Å; A442-L493 HydrophobicContact CB-CG 3.97Å; E446-L493 HydrophobicContact CB-CD1 3.93Å; E446-L493 WeakPolarHBondContact O-CD1 3.2Å; V447-L493 HydrophobicContact CG2-CD1 4.36Å; V447-L493 HydrophobicContact CG2-CD2 4.36Å; A450-L493 HydrophobicContact CB-CB 3.88Å; A450-L493 HydrophobicContact CB-CD1 3.95Å; A489-L493 WeakPolarHBondContact O-CB 3.45Å; A489-L493 PolarHBondContact O-N 3.33Å; I491-L493 VanDerWaalsContact C-N 3.25Å; I491-L493 PolarHBondContact O-N 2.84Å
494	N	94.1	Very high	92.8	Very high	31 Å²	31	16.5 Å²	16.5	17%	0.166	9%	0.085	C	C	.	.	H	α-helix	trans	-80.7	-28.4	177.9	-173.2	42.6	0	0	0	112.8	N415 G438 R490 I491 F492	N415-N494 PolarHBondContact O-ND2 3.33Å; G438-N494 WeakPolarHBondContact O-CB 3.46Å; G438-N494 PolarHBondContact O-OD1 3.41Å; R490-N494 PolarHBondContact O-N 2.91Å; R490-N494 VanDerWaalsContact O-N 3.15Å; I491-N494 PolarHBondContact O-N 2.75Å; F492-N494 PolarHBondContact O-N 2.68Å
495	N	93.3	Very high	92.1	Very high	102 Å²	102	16.5 Å²	16.5	55%	0.545	9%	0.085	S	C	.	.			trans	51.1	56.2	179.9	-164.5	37.9	0	0	0	115.8	I491 F492 R527	I491-N495 WeakPolarHBondContact O-CA 3.39Å; I491-N495 PolarHBondContact O-N 3.37Å; F492-N495 PolarHBondContact O-N 2.97Å; N495-R527 PolarHBondContact OD1-NH1 3.48Å; N495-R527 PolarHBondContact OD1-NH2 2.93Å
496	P	95.1	Very high	90.9	Very high	3 Å²	3	16.5 Å²	16.5	2%	0.019	9%	0.09	C	C	.	.			trans	-78.6	151.8	-177.3	30.8	-32.9	0	0	0	113.3	Q416 G418 I491 L499 R527	Q416-P496 VanDerWaalsContact C-CB 3.48Å; Q416-P496 WeakPolarHBondContact O-CB 3.38Å; G418-P496 VanDerWaalsContact CA-CG 3.45Å; I491-P496 HydrophobicContact CG2-CG 3.69Å; I491-P496 VanDerWaalsContact O-CD 3.29Å; I491-P496 WeakPolarHBondContact O-CD 3.35Å; P496-L499 HydrophobicContact CG-CD2 4.02Å; P496-R527 WeakPolarHBondContact O-CD 3.33Å; P496-R527 PolarHBondContact O-NH1 3.5Å; P496-R527 VanDerWaalsContact O-NH1 3.11Å
497	P	95	Very high	89.8	Confident	40 Å²	40	21.4 Å²	21.4	26%	0.26	13%	0.131	S	C	.	.	S	Bend	trans	-75	-24.4	179	28.9	-36.8	0	0	0	115	I335 Q416 T528	I335-P497 HydrophobicContact CB-CG 4.07Å; I335-P497 HydrophobicContact CG2-CB 4.44Å; I335-P497 HydrophobicContact CG2-CG 3.95Å; Q416-P497 HydrophobicContact CB-CG 4.29Å; Q416-P497 VanDerWaalsContact O-CD 3.27Å; Q416-P497 WeakPolarHBondContact O-CD 3.29Å; P497-T528 PolarHBondContact O-N 3.3Å
498	I	97	Very high	89.1	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.8	178.1	-61.4	172.9	0	0	0	108.8	I335 I340 I400 I417 G418 T528 L530	I335-I498 HydrophobicContact CD1-CD1 3.97Å; I335-I498 HydrophobicContact CG2-CD1 4.21Å; I340-I498 HydrophobicContact CD1-CD1 4.07Å; I340-I498 HydrophobicContact CD1-CG2 3.98Å; I340-I498 HydrophobicContact CG1-CD1 4.16Å; I400-I498 HydrophobicContact CD1-CD1 3.94Å; I400-I498 HydrophobicContact CG1-CD1 4.48Å; I400-I498 HydrophobicContact CG2-CD1 3.85Å; I417-I498 CarbonylContact C-O 3.59Å; I417-I498 WeakPolarHBondContact CA-O 3.35Å; I417-I498 HydrophobicContact CG1-CB 4.19Å; I417-I498 HydrophobicContact CG1-CG2 4.36Å; I417-I498 HydrophobicContact CG2-CG2 4.45Å; G418-I498 PolarHBondContact N-O 3.27Å; I498-T528 CarbonylContact C-O 3.57Å; I498-T528 WeakPolarHBondContact CA-O 3.31Å; I498-L530 HydrophobicContact CG2-CD1 3.94Å
499	L	95.5	Very high	88.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	138.5	178.2	-61.3	177.4	0	0	0	111.1	G418 I491 P496 L523 R527 T528 T529 L530	G418-L499 CarbonylContact O-C 3.55Å; G418-L499 WeakPolarHBondContact O-CA 3.45Å; I491-L499 HydrophobicContact CG2-CD2 3.56Å; P496-L499 HydrophobicContact CG-CD2 4.02Å; L499-L523 HydrophobicContact CD1-CD2 4.24Å; L499-L523 HydrophobicContact CD1-CG 3.73Å; L499-L523 WeakPolarHBondContact CD1-O 3.2Å; L499-L523 HydrophobicContact CD2-CD2 4.35Å; L499-L523 HydrophobicContact CD2-CG 4.31Å; L499-R527 HydrophobicContact CD1-CB 4.2Å; L499-R527 HydrophobicContact CG-CB 4.4Å; L499-T528 PolarHBondContact N-O 2.95Å; L499-T529 HydrophobicContact CB-CG2 4.12Å; L499-L530 WeakPolarHBondContact O-CD1 3.47Å; L499-L530 PolarHBondContact O-N 3.46Å
500	I	95.1	Very high	87.9	Confident	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	119.4	172.6	-58.8	178	0	0	0	107.6	I384 I387 P388 I417 G418 L419 V420 L530	I384-I500 HydrophobicContact CB-CG2 3.75Å; I384-I500 HydrophobicContact CD1-CG2 3.77Å; I384-I500 HydrophobicContact CG1-CG2 4.28Å; I384-I500 HydrophobicContact CG2-CG2 4.2Å; I387-I500 HydrophobicContact CB-CD1 4.02Å; I387-I500 HydrophobicContact CD1-CD1 4.45Å; I387-I500 HydrophobicContact CG2-CD1 4.19Å; P388-I500 HydrophobicContact CG-CD1 4.45Å; I417-I500 HydrophobicContact CG2-CD1 3.73Å; I417-I500 HydrophobicContact CG2-CG1 4.03Å; G418-I500 PolarHBondContact O-N 2.91Å; L419-I500 WeakPolarHBondContact CA-O 3.16Å; L419-I500 HydrophobicContact CD1-CB 3.68Å; L419-I500 HydrophobicContact CD1-CG2 3.46Å; L419-I500 VanDerWaalsContact CD1-CG2 3.46Å; V420-I500 PolarHBondContact N-O 3.49Å; I500-L530 CarbonylContact C-O 3.42Å; I500-L530 WeakPolarHBondContact CA-O 3.35Å; I500-L530 HydrophobicContact CG1-CB 4.43Å
501	L	92	Very high	87.4	Confident	5 Å²	5	38.2 Å²	38.2	3%	0.026	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	97.9	-179.6	-53.5	-178.7	0	0	0	108.5	V420 A504 L520 T529 L530 I531 V532	V420-L501 HydrophobicContact CB-CD2 3.81Å; V420-L501 HydrophobicContact CG2-CD2 3.52Å; L501-A504 HydrophobicContact CB-CB 4.4Å; L501-L520 HydrophobicContact CD1-CD1 4.37Å; L501-L520 HydrophobicContact CD1-CD2 3.94Å; L501-L520 HydrophobicContact CD2-CD2 3.78Å; L501-T529 HydrophobicContact CD1-CG2 3.97Å; L501-T529 HydrophobicContact CG-CG2 4.34Å; L501-L530 PolarHBondContact N-O 3.19Å; L501-I531 HydrophobicContact CB-CG1 4.41Å; L501-I531 HydrophobicContact CB-CG2 4.35Å; L501-I531 HydrophobicContact CD1-CD1 4.24Å; L501-I531 HydrophobicContact CD1-CG1 4.12Å; L501-I531 WeakPolarHBondContact O-CA 3.47Å; L501-V532 PolarHBondContact O-N 2.88Å
502	D	90.6	Very high	86.9	Confident	16 Å²	16	38.4 Å²	38.4	9%	0.086	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	99.6	179.9	-165.8	19.8	0	0	0	110.2	S381 I384 V420 Q421 Q422 A504	S381-D502 PolarHBondContact OG-OD1 3.27Å; I384-D502 HydrophobicContact CD1-CB 3.55Å; I384-D502 VanDerWaalsContact CD1-CG 3.42Å; V420-D502 PolarHBondContact O-N 3.13Å; Q421-D502 CarbonylContact C-O 3.55Å; Q422-D502 PolarHBondContact N-O 3.01Å; Q422-D502 VanDerWaalsContact N-O 3.13Å; D502-A504 PolarHBondContact O-N 2.96Å; D502-A504 VanDerWaalsContact O-N 3.09Å
503	E	82.8	Confident	86.4	Confident	31 Å²	31	38.6 Å²	38.6	15%	0.145	22%	0.221	C	C	.	.	S	Bend	trans	51.2	36.6	178	-56.8	-172.6	-169.7	0	0	114.4	Q422 T505 S506 V532 H534	Q422-E503 HydrophobicContact CB-CB 4.24Å; Q422-E503 VanDerWaalsContact CD-OE2 3.24Å; Q422-E503 HydrophobicContact CG-CB 4.2Å; Q422-E503 PolarHBondContact NE2-OE2 3.31Å; Q422-E503 PolarHBondContact OE1-OE2 3.5Å; E503-T505 PolarHBondContact O-N 2.86Å; E503-S506 WeakPolarHBondContact CB-OG 3.41Å; E503-S506 WeakPolarHBondContact O-CB 3.37Å; E503-S506 PolarHBondContact O-N 2.91Å; E503-S506 PolarHBondContact O-OG 3.49Å; E503-V532 WeakPolarHBondContact CA-O 3.44Å; E503-V532 HydrophobicContact CG-CG1 4.21Å; E503-V532 PolarHBondContact N-O 3.32Å; E503-H534 IonicContact OE1-CD2 2.7Å; E503-H534 PolarHBondContact OE1-CD2 3.07Å; E503-H534 IonicContact OE1-NE2 2.76Å; E503-H534 PolarHBondContact OE1-NE2 2.95Å; E503-H534 IonicContact OE2-CD2 3.87Å
504	A	74.4	Confident	85.9	Confident	7 Å²	7	42.3 Å²	42.3	6%	0.058	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-15.7	-168.7	0	0	0	0	0	115.8	V420 Q484 L501 D502 L520	V420-A504 HydrophobicContact CB-CB 4.37Å; V420-A504 HydrophobicContact CG1-CB 3.73Å; Q484-A504 WeakPolarHBondContact CG-O 3.47Å; Q484-A504 PolarHBondContact NE2-O 3.3Å; L501-A504 HydrophobicContact CB-CB 4.4Å; D502-A504 PolarHBondContact O-N 2.96Å; D502-A504 VanDerWaalsContact O-N 3.09Å; A504-L520 HydrophobicContact CB-CD1 4.09Å
505	T	75.9	Confident	85.6	Confident	11 Å²	11	42.9 Å²	42.9	7%	0.067	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	2.3	177.8	57.5	0	0	0	0	114.3	E503 E513 I516 Q517 L520	E503-T505 PolarHBondContact O-N 2.86Å; T505-E513 HydrophobicContact CG2-CG 4.45Å; T505-I516 HydrophobicContact CG2-CG2 3.92Å; T505-Q517 HydrophobicContact CG2-CG 4.26Å; T505-L520 HydrophobicContact CG2-CD1 4.29Å
506	S	69.2	Low	85.4	Confident	30 Å²	30	38 Å²	38	21%	0.21	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	142.2	175.8	68.7	0	0	0	0	110.3	Q422 E503 L508	Q422-S506 PolarHBondContact NE2-OG 3.36Å; Q422-S506 VanDerWaalsContact NE2-OG 3.12Å; E503-S506 WeakPolarHBondContact CB-OG 3.41Å; E503-S506 WeakPolarHBondContact O-CB 3.37Å; E503-S506 PolarHBondContact O-N 2.91Å; E503-S506 PolarHBondContact O-OG 3.49Å; S506-L508 PolarHBondContact O-N 3.36Å
507	A	71.5	Confident	85	Confident	103 Å²	103	39.4 Å²	39.4	85%	0.851	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.6	16.1	-178.6	0	0	0	0	0	118
508	L	76.7	Confident	84.8	Confident	18 Å²	18	43 Å²	43	9%	0.094	24%	0.243	C	C	.	.			trans	-100.1	150.9	176.1	-58	177.5	0	0	0	113.1	S506 E513 I516	S506-L508 PolarHBondContact O-N 3.36Å; L508-E513 HydrophobicContact CB-CB 4.45Å; L508-I516 HydrophobicContact CD1-CD1 3.34Å
509	D	82.4	Confident	84.5	Confident	87 Å²	87	43 Å²	43	47%	0.465	24%	0.243	S	C	.	.			trans	-68.7	158.1	165.9	66.5	89.8	0	0	0	111.2	E511 S512 E513	D509-E511 VanDerWaalsContact C-N 3.28Å; D509-E511 PolarHBondContact O-N 3.29Å; D509-E511 WeakPolarHBondContact OD1-CB 3.37Å; D509-E511 PolarHBondContact OD1-N 2.87Å; D509-S512 PolarHBondContact O-N 3.39Å; D509-S512 PolarHBondContact OD1-N 2.98Å; D509-S512 PolarHBondContact OD1-OG 2.87Å; D509-S512 WeakPolarHBondContact OD2-CB 3.47Å; D509-S512 PolarHBondContact OD2-OG 2.94Å; D509-E513 WeakPolarHBondContact O-CB 3.46Å; D509-E513 PolarHBondContact O-N 3.32Å
510	L	83.1	Confident	84.2	Confident	142 Å²	142	43.3 Å²	43.3	74%	0.743	25%	0.245	S	C	*	.	H	α-helix	trans	-60	-34.2	-173.3	-68.3	173	0	0	0	113.5	S514	L510-S514 PolarHBondContact O-N 2.99Å; L510-S514 VanDerWaalsContact O-N 3.12Å
511	E	84.2	Confident	83.9	Confident	148 Å²	148	48 Å²	48	69%	0.692	27%	0.27	S	S	*	.	H	α-helix	trans	-71.2	-51.9	179.3	-175.1	-176.3	173.2	0	0	110.2	D509 E513 S514 I515	D509-E511 VanDerWaalsContact C-N 3.28Å; D509-E511 PolarHBondContact O-N 3.29Å; D509-E511 WeakPolarHBondContact OD1-CB 3.37Å; D509-E511 PolarHBondContact OD1-N 2.87Å; E511-E513 VanDerWaalsContact C-N 3.25Å; E511-E513 PolarHBondContact O-N 3.46Å; E511-S514 PolarHBondContact O-N 3.12Å; E511-I515 HydrophobicContact CG-CD1 4.26Å; E511-I515 WeakPolarHBondContact O-CG1 3.4Å; E511-I515 PolarHBondContact O-N 2.97Å
512	S	85	Confident	83.9	Confident	13 Å²	13	50.7 Å²	50.7	9%	0.091	29%	0.287	C	S	.	.	H	α-helix	trans	-56.8	-40.6	174.8	-68.1	0	0	0	0	111.9	D509 I515 I516	D509-S512 PolarHBondContact O-N 3.39Å; D509-S512 PolarHBondContact OD1-N 2.98Å; D509-S512 PolarHBondContact OD1-OG 2.87Å; D509-S512 WeakPolarHBondContact OD2-CB 3.47Å; D509-S512 PolarHBondContact OD2-OG 2.94Å; S512-I515 PolarHBondContact O-N 3.33Å; S512-I516 WeakPolarHBondContact O-CB 3.29Å; S512-I516 WeakPolarHBondContact O-CD1 3.37Å; S512-I516 WeakPolarHBondContact O-CG1 3.45Å; S512-I516 PolarHBondContact O-N 2.97Å
513	E	84.5	Confident	83.9	Confident	18 Å²	18	50 Å²	50	8%	0.084	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-48.6	177.8	177.5	-178.6	-159.9	0	0	112.1	T505 L508 D509 E511 I515 I516 Q517 R535	T505-E513 HydrophobicContact CG2-CG 4.45Å; L508-E513 HydrophobicContact CB-CB 4.45Å; D509-E513 WeakPolarHBondContact O-CB 3.46Å; D509-E513 PolarHBondContact O-N 3.32Å; E511-E513 VanDerWaalsContact C-N 3.25Å; E511-E513 PolarHBondContact O-N 3.46Å; E513-I515 VanDerWaalsContact C-N 3.29Å; E513-I515 PolarHBondContact O-N 3.3Å; E513-I516 PolarHBondContact O-N 3.43Å; E513-Q517 HydrophobicContact CG-CG 4.3Å; E513-Q517 WeakPolarHBondContact O-CG 3.44Å; E513-Q517 PolarHBondContact O-N 3.23Å; E513-R535 WeakPolarHBondContact OE1-CD 3.43Å; E513-R535 IonicContact OE1-CZ 3.35Å; E513-R535 IonicContact OE1-NE 2.81Å; E513-R535 IonicContact OE1-NH1 3.93Å; E513-R535 PolarHBondContact OE1-NH1 3.1Å; E513-R535 IonicContact OE2-CZ 3.93Å; E513-R535 IonicContact OE2-NH1 3.48Å; E513-R535 PolarHBondContact OE2-NH1 3.3Å
514	S	87	Confident	84.2	Confident	83 Å²	83	49.3 Å²	49.3	58%	0.58	28%	0.281	S	S	*	.	H	α-helix	trans	-59.2	-42.7	179.6	-173	0	0	0	0	111.6	L510 E511 I516 Q517 E518	L510-S514 PolarHBondContact O-N 2.99Å; L510-S514 VanDerWaalsContact O-N 3.12Å; E511-S514 PolarHBondContact O-N 3.12Å; S514-I516 VanDerWaalsContact C-N 3.32Å; S514-I516 PolarHBondContact O-N 2.93Å; S514-Q517 PolarHBondContact O-N 3.28Å; S514-E518 PolarHBondContact O-N 3.27Å; S514-E518 VanDerWaalsContact O-N 3.08Å
515	I	88.3	Confident	84.9	Confident	43 Å²	43	55.6 Å²	55.6	22%	0.221	31%	0.307	C	S	.	.	H	α-helix	trans	-64.4	-39.3	178.7	-64.7	167.9	0	0	0	111.1	N455 E511 S512 E513 A519	N455-I515 HydrophobicContact CB-CG2 3.42Å; N455-I515 VanDerWaalsContact CB-CG2 3.42Å; N455-I515 PolarHBondContact ND2-O 3.36Å; E511-I515 HydrophobicContact CG-CD1 4.26Å; E511-I515 WeakPolarHBondContact O-CG1 3.4Å; E511-I515 PolarHBondContact O-N 2.97Å; S512-I515 PolarHBondContact O-N 3.33Å; E513-I515 VanDerWaalsContact C-N 3.29Å; E513-I515 PolarHBondContact O-N 3.3Å; I515-A519 PolarHBondContact O-N 3.07Å
516	I	88.8	Confident	85.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-74	-40.3	-179.8	-76.6	159.2	0	0	0	111.1	Q484 R485 I488 T505 L508 S512 E513 S514 E518 A519 L520	Q484-I516 HydrophobicContact CB-CD1 3.65Å; Q484-I516 HydrophobicContact CB-CG1 4.48Å; Q484-I516 HydrophobicContact CG-CD1 3.89Å; Q484-I516 HydrophobicContact CG-CG1 4.47Å; Q484-I516 HydrophobicContact CG-CG2 4.26Å; R485-I516 HydrophobicContact CG-CD1 4.22Å; R485-I516 HydrophobicContact CG-CG1 3.75Å; I488-I516 HydrophobicContact CD1-CG1 4.46Å; I488-I516 HydrophobicContact CD1-CG2 3.81Å; T505-I516 HydrophobicContact CG2-CG2 3.92Å; L508-I516 HydrophobicContact CD1-CD1 3.34Å; S512-I516 WeakPolarHBondContact O-CB 3.29Å; S512-I516 WeakPolarHBondContact O-CD1 3.37Å; S512-I516 WeakPolarHBondContact O-CG1 3.45Å; S512-I516 PolarHBondContact O-N 2.97Å; E513-I516 PolarHBondContact O-N 3.43Å; S514-I516 VanDerWaalsContact C-N 3.32Å; S514-I516 PolarHBondContact O-N 2.93Å; I516-E518 VanDerWaalsContact C-N 3.33Å; I516-E518 PolarHBondContact O-N 3.02Å; I516-A519 PolarHBondContact O-N 3.35Å; I516-L520 HydrophobicContact CG2-CD1 3.86Å; I516-L520 HydrophobicContact CG2-CG 4.17Å; I516-L520 WeakPolarHBondContact O-CB 3.31Å; I516-L520 VanDerWaalsContact O-CG 3.26Å; I516-L520 WeakPolarHBondContact O-CG 3.24Å; I516-L520 PolarHBondContact O-N 2.9Å
517	Q	87	Confident	86.7	Confident	32 Å²	32	62.7 Å²	62.7	15%	0.15	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-44.9	173.9	-75	-63.9	-13.1	0	0	111.2	T505 E513 S514 A519 L520 D521 T538	T505-Q517 HydrophobicContact CG2-CG 4.26Å; E513-Q517 HydrophobicContact CG-CG 4.3Å; E513-Q517 WeakPolarHBondContact O-CG 3.44Å; E513-Q517 PolarHBondContact O-N 3.23Å; S514-Q517 PolarHBondContact O-N 3.28Å; Q517-A519 VanDerWaalsContact C-N 3.31Å; Q517-A519 PolarHBondContact O-N 3.2Å; Q517-L520 PolarHBondContact O-N 3.3Å; Q517-L520 VanDerWaalsContact O-N 3.11Å; Q517-D521 WeakPolarHBondContact O-CB 3.42Å; Q517-D521 VanDerWaalsContact O-CG 3.3Å; Q517-D521 PolarHBondContact O-N 3.47Å; Q517-T538 PolarHBondContact NE2-OG1 3.01Å
518	E	89.1	Confident	87.9	Confident	115 Å²	115	57.9 Å²	57.9	54%	0.537	30%	0.3	S	S	.	.	H	α-helix	trans	-57.3	-45	175.4	-175.9	-177.8	-159.7	0	0	111.9	N455 S514 I516 D521 V522	N455-E518 PolarHBondContact ND2-OE2 2.92Å; S514-E518 PolarHBondContact O-N 3.27Å; S514-E518 VanDerWaalsContact O-N 3.08Å; I516-E518 VanDerWaalsContact C-N 3.33Å; I516-E518 PolarHBondContact O-N 3.02Å; E518-D521 PolarHBondContact O-N 3.19Å; E518-V522 WeakPolarHBondContact O-CG2 3.29Å; E518-V522 PolarHBondContact O-N 3.12Å; E518-V522 VanDerWaalsContact O-N 3.12Å
519	A	90.7	Very high	88.8	Confident	1 Å²	1	57 Å²	57	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-64.9	-39.3	176.7	0	0	0	0	0	112.1	I488 F492 I515 I516 Q517 V522 L523	I488-A519 HydrophobicContact CG2-CB 4.33Å; F492-A519 WeakPolarHBondContact CZ-O 3.38Å; I515-A519 PolarHBondContact O-N 3.07Å; I516-A519 PolarHBondContact O-N 3.35Å; Q517-A519 VanDerWaalsContact C-N 3.31Å; Q517-A519 PolarHBondContact O-N 3.2Å; A519-V522 PolarHBondContact O-N 3.13Å; A519-L523 VanDerWaalsContact O-CB 3.27Å; A519-L523 WeakPolarHBondContact O-CB 3.5Å; A519-L523 PolarHBondContact O-N 3.01Å
520	L	89.5	Confident	89.4	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-69.1	-37.4	177.6	-70.3	176.5	0	0	0	112.1	I488 L501 A504 T505 I516 Q517 V522 L523 S524	I488-L520 HydrophobicContact CD1-CD2 3.84Å; I488-L520 HydrophobicContact CD1-CG 4.12Å; I488-L520 HydrophobicContact CG1-CD2 4.1Å; L501-L520 HydrophobicContact CD1-CD1 4.37Å; L501-L520 HydrophobicContact CD1-CD2 3.94Å; L501-L520 HydrophobicContact CD2-CD2 3.78Å; A504-L520 HydrophobicContact CB-CD1 4.09Å; T505-L520 HydrophobicContact CG2-CD1 4.29Å; I516-L520 HydrophobicContact CG2-CD1 3.86Å; I516-L520 HydrophobicContact CG2-CG 4.17Å; I516-L520 WeakPolarHBondContact O-CB 3.31Å; I516-L520 VanDerWaalsContact O-CG 3.26Å; I516-L520 WeakPolarHBondContact O-CG 3.24Å; I516-L520 PolarHBondContact O-N 2.9Å; Q517-L520 PolarHBondContact O-N 3.3Å; Q517-L520 VanDerWaalsContact O-N 3.11Å; L520-V522 VanDerWaalsContact C-N 3.35Å; L520-L523 HydrophobicContact CD2-CD2 4.38Å; L520-L523 PolarHBondContact O-N 2.97Å; L520-S524 VanDerWaalsContact O-CB 3.29Å; L520-S524 WeakPolarHBondContact O-CB 3.41Å; L520-S524 PolarHBondContact O-N 3.11Å; L520-S524 PolarHBondContact O-OG 3.45Å
521	D	89.2	Confident	89.8	Confident	100 Å²	100	46.8 Å²	46.8	54%	0.535	24%	0.242	S	C	.	.	H	α-helix	trans	-63	-43.5	175.2	-73.5	-19.5	0	0	0	110.7	Q517 E518 S524 K525	Q517-D521 WeakPolarHBondContact O-CB 3.42Å; Q517-D521 VanDerWaalsContact O-CG 3.3Å; Q517-D521 PolarHBondContact O-N 3.47Å; E518-D521 PolarHBondContact O-N 3.19Å; D521-S524 PolarHBondContact O-N 2.87Å; D521-K525 PolarHBondContact O-N 3.43Å
522	V	91.1	Very high	90.2	Very high	61 Å²	61	39.9 Å²	39.9	37%	0.37	21%	0.21	S	C	.	.	H	α-helix	trans	-64.7	-42.7	173.9	174.6	0	0	0	0	111	M453 F492 E518 A519 L520 S524	M453-V522 HydrophobicContact CE-CG1 4.34Å; F492-V522 HydrophobicContact CE1-CG1 4.19Å; F492-V522 HydrophobicContact CZ-CB 4.41Å; F492-V522 HydrophobicContact CZ-CG1 4.18Å; E518-V522 WeakPolarHBondContact O-CG2 3.29Å; E518-V522 PolarHBondContact O-N 3.12Å; E518-V522 VanDerWaalsContact O-N 3.12Å; A519-V522 PolarHBondContact O-N 3.13Å; L520-V522 VanDerWaalsContact C-N 3.35Å; V522-S524 VanDerWaalsContact C-N 3.33Å; V522-S524 PolarHBondContact O-N 2.9Å
523	L	90.5	Very high	89.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-38	-179.8	-174.5	62.7	0	0	0	111.9	I488 I491 F492 L499 A519 L520 K525 R527	I488-L523 HydrophobicContact CG2-CD2 4.3Å; I491-L523 HydrophobicContact CB-CD2 4.24Å; I491-L523 HydrophobicContact CG2-CD1 3.98Å; I491-L523 HydrophobicContact CG2-CD2 4Å; I491-L523 HydrophobicContact CG2-CG 4.5Å; F492-L523 HydrophobicContact CD1-CD1 3.57Å; F492-L523 HydrophobicContact CD2-CD1 4.31Å; F492-L523 HydrophobicContact CE1-CB 3.85Å; F492-L523 HydrophobicContact CE1-CD1 3.49Å; F492-L523 VanDerWaalsContact CE1-CD1 3.49Å; F492-L523 HydrophobicContact CE1-CG 4.26Å; F492-L523 HydrophobicContact CE2-CB 4.2Å; F492-L523 HydrophobicContact CE2-CD1 4.27Å; F492-L523 HydrophobicContact CG-CD1 3.98Å; F492-L523 HydrophobicContact CZ-CB 3.56Å; F492-L523 HydrophobicContact CZ-CD1 3.89Å; F492-L523 HydrophobicContact CZ-CG 4.24Å; L499-L523 HydrophobicContact CD1-CD2 4.24Å; L499-L523 HydrophobicContact CD1-CG 3.73Å; L499-L523 WeakPolarHBondContact CD1-O 3.2Å; L499-L523 HydrophobicContact CD2-CD2 4.35Å; L499-L523 HydrophobicContact CD2-CG 4.31Å; A519-L523 VanDerWaalsContact O-CB 3.27Å; A519-L523 WeakPolarHBondContact O-CB 3.5Å; A519-L523 PolarHBondContact O-N 3.01Å; L520-L523 HydrophobicContact CD2-CD2 4.38Å; L520-L523 PolarHBondContact O-N 2.97Å; L523-K525 VanDerWaalsContact C-N 3.34Å; L523-K525 PolarHBondContact O-N 3.24Å; L523-R527 WeakPolarHBondContact O-CD 3.23Å; L523-R527 PolarHBondContact O-NE 3.17Å
524	S	90.5	Very high	89.5	Confident	17 Å²	17	42.6 Å²	42.6	12%	0.119	22%	0.222	C	C	.	.	H	α-helix	trans	-79.1	-13.7	-173.8	-53.2	0	0	0	0	113.8	L520 D521 V522 D526 R527	L520-S524 VanDerWaalsContact O-CB 3.29Å; L520-S524 WeakPolarHBondContact O-CB 3.41Å; L520-S524 PolarHBondContact O-N 3.11Å; L520-S524 PolarHBondContact O-OG 3.45Å; D521-S524 PolarHBondContact O-N 2.87Å; V522-S524 VanDerWaalsContact C-N 3.33Å; V522-S524 PolarHBondContact O-N 2.9Å; S524-D526 PolarHBondContact O-N 3.5Å; S524-R527 PolarHBondContact O-N 3.31Å
525	K	89.4	Confident	88.8	Confident	139 Å²	139	42.5 Å²	42.5	60%	0.604	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	131.7	177.1	-79.5	175.7	-177.5	175.8	0	111.6	D521 L523 R527	D521-K525 PolarHBondContact O-N 3.43Å; L523-K525 VanDerWaalsContact C-N 3.34Å; L523-K525 PolarHBondContact O-N 3.24Å; K525-R527 PolarHBondContact O-N 3.03Å
526	D	88.4	Confident	87.8	Confident	160 Å²	160	41.7 Å²	41.7	86%	0.856	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.9	23.2	176.5	-55.5	-52.1	0	0	0	114.9	S524	S524-D526 PolarHBondContact O-N 3.5Å
527	R	93.3	Very high	86.8	Confident	30 Å²	30	44.7 Å²	44.7	11%	0.113	23%	0.226	C	C	.	.	S	Bend	trans	-131.2	147.5	-177.8	-64.3	175.4	-152.8	-150	9.4	111.9	G367 N495 P496 L499 L523 S524 K525 T529	G367-R527 CarbonylContact C-O 3.58Å; N495-R527 PolarHBondContact OD1-NH1 3.48Å; N495-R527 PolarHBondContact OD1-NH2 2.93Å; P496-R527 WeakPolarHBondContact O-CD 3.33Å; P496-R527 PolarHBondContact O-NH1 3.5Å; P496-R527 VanDerWaalsContact O-NH1 3.11Å; L499-R527 HydrophobicContact CD1-CB 4.2Å; L499-R527 HydrophobicContact CG-CB 4.4Å; L523-R527 WeakPolarHBondContact O-CD 3.23Å; L523-R527 PolarHBondContact O-NE 3.17Å; S524-R527 PolarHBondContact O-N 3.31Å; K525-R527 PolarHBondContact O-N 3.03Å; R527-T529 PolarHBondContact O-N 3.18Å; R527-T529 PolarHBondContact O-OG1 3.1Å
528	T	96.6	Very high	86.1	Confident	2 Å²	2	44 Å²	44	1%	0.012	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	118.4	172	-56.9	0	0	0	0	108.8	G338 I340 I364 G367 P497 I498 L499 L530	G338-T528 WeakPolarHBondContact O-CB 3.39Å; G338-T528 VanDerWaalsContact O-CG2 3.32Å; G338-T528 WeakPolarHBondContact O-CG2 3.47Å; G338-T528 PolarHBondContact O-OG1 3.38Å; I340-T528 HydrophobicContact CD1-CG2 4.32Å; I364-T528 HydrophobicContact CG2-CG2 3.51Å; G367-T528 PolarHBondContact N-OG1 2.94Å; P497-T528 PolarHBondContact O-N 3.3Å; I498-T528 CarbonylContact C-O 3.57Å; I498-T528 WeakPolarHBondContact CA-O 3.31Å; L499-T528 PolarHBondContact N-O 2.95Å; T528-L530 HydrophobicContact CG2-CD1 4.23Å
529	T	95.4	Very high	85.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	125.4	-169.3	-57.4	0	0	0	0	110.6	E368 T369 V370 L499 L501 R527 I531	E368-T529 PolarHBondContact O-N 3.1Å; T369-T529 CarbonylContact C-O 3.58Å; T369-T529 WeakPolarHBondContact CA-O 2.9Å; T369-T529 HydrophobicContact CG2-CG2 4.43Å; V370-T529 PolarHBondContact N-O 3.43Å; L499-T529 HydrophobicContact CB-CG2 4.12Å; L501-T529 HydrophobicContact CD1-CG2 3.97Å; L501-T529 HydrophobicContact CG-CG2 4.34Å; R527-T529 PolarHBondContact O-N 3.18Å; R527-T529 PolarHBondContact O-OG1 3.1Å; T529-I531 HydrophobicContact CG2-CD1 4.08Å; T529-I531 HydrophobicContact CG2-CG1 3.79Å
530	L	95.4	Very high	84.9	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	118.3	179.9	-66	90.6	0	0	0	108.7	I340 I364 V370 F372 I387 I498 L499 I500 L501 T528	I340-L530 HydrophobicContact CD1-CD1 3.7Å; I340-L530 HydrophobicContact CD1-CD2 4.31Å; I364-L530 HydrophobicContact CD1-CD2 3.57Å; I364-L530 HydrophobicContact CD1-CG 4Å; V370-L530 WeakPolarHBondContact O-CA 3.34Å; F372-L530 HydrophobicContact CE2-CB 4.02Å; F372-L530 HydrophobicContact CE2-CD2 3.8Å; F372-L530 HydrophobicContact CE2-CG 4.22Å; F372-L530 HydrophobicContact CZ-CD2 4.15Å; I387-L530 HydrophobicContact CD1-CD2 3.21Å; I498-L530 HydrophobicContact CG2-CD1 3.94Å; L499-L530 WeakPolarHBondContact O-CD1 3.47Å; L499-L530 PolarHBondContact O-N 3.46Å; I500-L530 CarbonylContact C-O 3.42Å; I500-L530 WeakPolarHBondContact CA-O 3.35Å; I500-L530 HydrophobicContact CG1-CB 4.43Å; L501-L530 PolarHBondContact N-O 3.19Å; T528-L530 HydrophobicContact CG2-CD1 4.23Å
531	I	92.5	Very high	84.5	Confident	15 Å²	15	47.9 Å²	47.9	8%	0.077	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	122.9	-172.7	-49.2	-174.7	0	0	0	109.1	T369 V370 A371 F372 L501 T529 A533 T538	T369-I531 HydrophobicContact CG2-CD1 3.66Å; T369-I531 HydrophobicContact CG2-CG1 4.28Å; V370-I531 PolarHBondContact O-N 3.49Å; A371-I531 CarbonylContact C-O 3.55Å; A371-I531 WeakPolarHBondContact CA-O 3.28Å; F372-I531 PolarHBondContact N-O 3.29Å; L501-I531 HydrophobicContact CB-CG1 4.41Å; L501-I531 HydrophobicContact CB-CG2 4.35Å; L501-I531 HydrophobicContact CD1-CD1 4.24Å; L501-I531 HydrophobicContact CD1-CG1 4.12Å; L501-I531 WeakPolarHBondContact O-CA 3.47Å; T529-I531 HydrophobicContact CG2-CD1 4.08Å; T529-I531 HydrophobicContact CG2-CG1 3.79Å; I531-A533 HydrophobicContact CG2-CB 3.98Å; I531-T538 HydrophobicContact CD1-CG2 4.34Å; I531-T538 HydrophobicContact CG2-CG2 3.91Å
532	V	91	Very high	84.5	Confident	2 Å²	2	43.5 Å²	43.5	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	107	162.1	-178.8	0	0	0	0	106.7	F372 K380 I384 L501 E503	F372-V532 HydrophobicContact CB-CG2 4.32Å; K380-V532 HydrophobicContact CB-CG1 3.96Å; K380-V532 HydrophobicContact CB-CG2 4.28Å; K380-V532 HydrophobicContact CD-CG1 4.2Å; I384-V532 HydrophobicContact CD1-CG2 3.7Å; I384-V532 HydrophobicContact CG1-CG2 4.21Å; I384-V532 HydrophobicContact CG2-CG2 3.8Å; L501-V532 PolarHBondContact O-N 2.88Å; E503-V532 WeakPolarHBondContact CA-O 3.44Å; E503-V532 HydrophobicContact CG-CG1 4.21Å; E503-V532 PolarHBondContact N-O 3.32Å
533	A	78.7	Confident	84.6	Confident	9 Å²	9	44.9 Å²	44.9	7%	0.074	23%	0.228	C	C	.	.			trans	-116	138	-175.5	0	0	0	0	0	111.3	I531 T538 I539	I531-A533 HydrophobicContact CG2-CB 3.98Å; A533-T538 HydrophobicContact CB-CG2 4.43Å; A533-I539 HydrophobicContact CB-CD1 3.98Å; A533-I539 HydrophobicContact CB-CG1 3.49Å; A533-I539 VanDerWaalsContact CB-CG1 3.49Å
534	H	76.6	Confident	84.8	Confident	80 Å²	80	46.7 Å²	46.7	37%	0.37	24%	0.236	S	C	.	.	S	Bend	trans	-100.8	-12	168.6	-99.9	-84	0	0	0	112.9	E503 Q576	E503-H534 IonicContact OE1-CD2 2.7Å; E503-H534 PolarHBondContact OE1-CD2 3.07Å; E503-H534 IonicContact OE1-NE2 2.76Å; E503-H534 PolarHBondContact OE1-NE2 2.95Å; E503-H534 IonicContact OE2-CD2 3.87Å; H534-Q576 PolarHBondContact O-NE2 3.34Å; H534-Q576 PolarHBondContact O-OE1 3.16Å
535	R	72.7	Confident	85	Confident	81 Å²	81	45.9 Å²	45.9	31%	0.306	23%	0.23	S	C	.	.	S	Bend	trans	-112.5	138.2	-176.4	-64.2	-169.7	-178.9	-168.1	5.4	111.9	E513 S537 T538 I539	E513-R535 WeakPolarHBondContact OE1-CD 3.43Å; E513-R535 IonicContact OE1-CZ 3.35Å; E513-R535 IonicContact OE1-NE 2.81Å; E513-R535 IonicContact OE1-NH1 3.93Å; E513-R535 PolarHBondContact OE1-NH1 3.1Å; E513-R535 IonicContact OE2-CZ 3.93Å; E513-R535 IonicContact OE2-NH1 3.48Å; E513-R535 PolarHBondContact OE2-NH1 3.3Å; R535-S537 VanDerWaalsContact C-N 3.35Å; R535-S537 PolarHBondContact O-N 3.36Å; R535-T538 PolarHBondContact O-N 3.04Å; R535-I539 VanDerWaalsContact O-CD1 3.32Å; R535-I539 WeakPolarHBondContact O-CD1 3.35Å; R535-I539 WeakPolarHBondContact O-CG1 3.4Å
536	L	68	Low	85.2	Confident	26 Å²	26	39.3 Å²	39.3	14%	0.136	20%	0.201	C	C	.	.	H	α-helix	trans	-56.6	-41.5	-178.6	-62.8	-175.7	0	0	0	114.2	T538 I539 T540 Y573 Q576 N577	L536-T538 PolarHBondContact O-N 2.88Å; L536-I539 PolarHBondContact O-N 2.84Å; L536-T540 WeakPolarHBondContact O-CG2 3.32Å; L536-T540 PolarHBondContact O-N 3.25Å; L536-T540 PolarHBondContact O-OG1 3.42Å; L536-Y573 HydrophobicContact CB-CE2 4.42Å; L536-Y573 HydrophobicContact CD1-CD2 3.82Å; L536-Y573 HydrophobicContact CD1-CE2 3.59Å; L536-Y573 HydrophobicContact CD1-CG 4.49Å; L536-Y573 HydrophobicContact CD2-CD2 3.43Å; L536-Y573 VanDerWaalsContact CD2-CD2 3.43Å; L536-Y573 HydrophobicContact CD2-CE2 3.87Å; L536-Y573 HydrophobicContact CD2-CG 4.32Å; L536-Y573 HydrophobicContact CG-CD2 4.17Å; L536-Y573 HydrophobicContact CG-CE2 4.15Å; L536-Q576 HydrophobicContact CD1-CB 3.76Å; L536-Q576 HydrophobicContact CD2-CB 4.11Å; L536-Q576 HydrophobicContact CD2-CG 4.5Å; L536-Q576 VanDerWaalsContact CD2-OE1 3.3Å; L536-Q576 HydrophobicContact CG-CB 3.82Å; L536-N577 WeakPolarHBondContact CD1-OD1 3.44Å
537	S	68	Low	85.4	Confident	62 Å²	62	31.7 Å²	31.7	43%	0.434	16%	0.161	S	C	.	.	H	α-helix	trans	-58.1	-33.1	-174.9	50.2	0	0	0	0	113.6	R535 T540 H541	R535-S537 VanDerWaalsContact C-N 3.35Å; R535-S537 PolarHBondContact O-N 3.36Å; S537-T540 PolarHBondContact O-OG1 2.91Å; S537-H541 PolarHBondContact O-ND1 3.44Å
538	T	71.7	Confident	85.4	Confident	17 Å²	17	30.2 Å²	30.2	10%	0.104	16%	0.155	C	C	.	.	H	α-helix	trans	-80.9	-25.8	178	-40.5	0	0	0	0	112.1	Q517 I531 A533 R535 L536	Q517-T538 PolarHBondContact NE2-OG1 3.01Å; I531-T538 HydrophobicContact CD1-CG2 4.34Å; I531-T538 HydrophobicContact CG2-CG2 3.91Å; A533-T538 HydrophobicContact CB-CG2 4.43Å; R535-T538 PolarHBondContact O-N 3.04Å; L536-T538 PolarHBondContact O-N 2.88Å
539	I	75.9	Confident	85.2	Confident	5 Å²	5	32.8 Å²	32.8	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-85	-35.7	-174.7	-60.8	159.3	0	0	0	111.3	A371 V373 A533 R535 L536 H541 A542 I545 Y569	A371-I539 HydrophobicContact CB-CG2 4.26Å; V373-I539 HydrophobicContact CG1-CD1 3.5Å; V373-I539 VanDerWaalsContact CG1-CD1 3.5Å; V373-I539 HydrophobicContact CG1-CG1 3.81Å; V373-I539 HydrophobicContact CG1-CG2 3.97Å; A533-I539 HydrophobicContact CB-CD1 3.98Å; A533-I539 HydrophobicContact CB-CG1 3.49Å; A533-I539 VanDerWaalsContact CB-CG1 3.49Å; R535-I539 VanDerWaalsContact O-CD1 3.32Å; R535-I539 WeakPolarHBondContact O-CD1 3.35Å; R535-I539 WeakPolarHBondContact O-CG1 3.4Å; L536-I539 PolarHBondContact O-N 2.84Å; I539-H541 PolarHBondContact O-N 3.42Å; I539-A542 WeakPolarHBondContact O-CB 3.32Å; I539-A542 PolarHBondContact O-N 2.92Å; I539-A542 VanDerWaalsContact O-N 3.14Å; I539-I545 HydrophobicContact CG2-CD1 3.57Å; I539-I545 HydrophobicContact CG2-CG1 3.84Å; I539-I545 HydrophobicContact CG2-CG2 4.21Å; I539-Y569 HydrophobicContact CG2-CE2 3.97Å
540	T	78.7	Confident	85	Confident	46 Å²	46	38.9 Å²	38.9	28%	0.282	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-23.3	-173.5	48.7	0	0	0	0	114.3	L536 S537	L536-T540 WeakPolarHBondContact O-CG2 3.32Å; L536-T540 PolarHBondContact O-N 3.25Å; L536-T540 PolarHBondContact O-OG1 3.42Å; S537-T540 PolarHBondContact O-OG1 2.91Å
541	H	82	Confident	84.8	Confident	154 Å²	154	38.9 Å²	38.9	71%	0.713	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-1.8	-179.3	-58.1	98.3	0	0	0	113.3	S537 I539	S537-H541 PolarHBondContact O-ND1 3.44Å; I539-H541 PolarHBondContact O-N 3.42Å
542	A	89.1	Confident	84.9	Confident	8 Å²	8	42.1 Å²	42.1	7%	0.066	22%	0.215	C	C	.	.			trans	-72.5	139.7	178.4	0	0	0	0	0	111.3	T369 A371 I539 K544 I545	T369-A542 HydrophobicContact CG2-CB 4.36Å; A371-A542 HydrophobicContact CB-CB 3.67Å; I539-A542 WeakPolarHBondContact O-CB 3.32Å; I539-A542 PolarHBondContact O-N 2.92Å; I539-A542 VanDerWaalsContact O-N 3.14Å; A542-K544 PolarHBondContact O-N 2.86Å; A542-I545 HydrophobicContact CB-CG1 4.25Å
543	D	92.6	Very high	85	Confident	90 Å²	90	44.1 Å²	44.1	48%	0.481	22%	0.224	S	C	.	.	S	Bend	trans	-64.3	-34.9	175	-59.3	-56.2	0	0	0	111	E368 T369	E368-D543 HydrophobicContact CG-CB 3.8Å; T369-D543 PolarHBondContact N-OD2 2.95Å; T369-D543 PolarHBondContact O-N 3.43Å
544	K	94.6	Very high	85.7	Confident	38 Å²	38	46.9 Å²	46.9	17%	0.165	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	134	180	-179.3	-174.5	-71.2	149	0	110.6	L362 S363 E368 T369 V370 A371 A542 V546 T556	L362-K544 HydrophobicContact CD1-CD 4.33Å; S363-K544 PolarHBondContact O-NZ 2.86Å; E368-K544 VanDerWaalsContact OE1-CB 3.3Å; E368-K544 WeakPolarHBondContact OE1-CB 3.44Å; E368-K544 WeakPolarHBondContact OE1-CE 3.43Å; E368-K544 IonicContact OE1-NZ 3.41Å; E368-K544 PolarHBondContact OE1-NZ 3.18Å; E368-K544 IonicContact OE2-NZ 3.97Å; E368-K544 PolarHBondContact OE2-NZ 3.26Å; T369-K544 PolarHBondContact O-N 3.3Å; V370-K544 CarbonylContact C-O 3.58Å; V370-K544 VanDerWaalsContact CA-O 3.28Å; V370-K544 WeakPolarHBondContact CA-O 3.39Å; V370-K544 HydrophobicContact CG1-CD 4.47Å; V370-K544 HydrophobicContact CG1-CG 4.5Å; V370-K544 HydrophobicContact CG2-CB 4.26Å; V370-K544 HydrophobicContact CG2-CD 4.4Å; A371-K544 PolarHBondContact N-O 3.11Å; A542-K544 PolarHBondContact O-N 2.86Å; K544-V546 HydrophobicContact CD-CG2 4.44Å; K544-V546 HydrophobicContact CG-CG2 4.34Å; K544-T556 HydrophobicContact CD-CG2 3.88Å; K544-T556 HydrophobicContact CG-CG2 3.74Å
545	I	94.1	Very high	86.5	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	132.3	175.2	-59.5	166.2	0	0	0	107.9	A371 V373 I539 A542 T556 G557 H559 L562 Y569	A371-I545 HydrophobicContact CB-CG1 4.4Å; A371-I545 CarbonylContact O-C 3.39Å; A371-I545 WeakPolarHBondContact O-CA 3.27Å; V373-I545 HydrophobicContact CG1-CG2 4.26Å; V373-I545 HydrophobicContact CG2-CG2 3.67Å; I539-I545 HydrophobicContact CG2-CD1 3.57Å; I539-I545 HydrophobicContact CG2-CG1 3.84Å; I539-I545 HydrophobicContact CG2-CG2 4.21Å; A542-I545 HydrophobicContact CB-CG1 4.25Å; I545-T556 VanDerWaalsContact O-CA 3.29Å; I545-T556 WeakPolarHBondContact O-CA 3.47Å; I545-G557 WeakPolarHBondContact CB-O 3.39Å; I545-G557 PolarHBondContact N-O 2.88Å; I545-G557 PolarHBondContact O-N 2.92Å; I545-G557 VanDerWaalsContact O-N 3.1Å; I545-H559 HydrophobicContact CD1-CB 3.87Å; I545-L562 HydrophobicContact CB-CD1 3.64Å; I545-L562 HydrophobicContact CD1-CD1 4.46Å; I545-L562 HydrophobicContact CG2-CD1 3.71Å; I545-Y569 HydrophobicContact CD1-CE2 3.94Å; I545-Y569 HydrophobicContact CG2-CD2 3.88Å; I545-Y569 HydrophobicContact CG2-CE2 3.75Å
546	V	94.5	Very high	87.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.1	-179.8	-178.7	0	0	0	0	108.5	L362 V370 A371 F372 V373 K544 I548 I553 T556	L362-V546 HydrophobicContact CD1-CG2 3.77Å; L362-V546 HydrophobicContact CD2-CG2 4.06Å; V370-V546 HydrophobicContact CG1-CG2 3.72Å; A371-V546 PolarHBondContact O-N 2.98Å; F372-V546 WeakPolarHBondContact CA-O 3.45Å; F372-V546 HydrophobicContact CD1-CB 3.84Å; F372-V546 HydrophobicContact CD1-CG1 4.01Å; F372-V546 HydrophobicContact CE1-CB 4.03Å; F372-V546 HydrophobicContact CE1-CG1 4.09Å; F372-V546 HydrophobicContact CE1-CG2 4.3Å; V373-V546 PolarHBondContact N-O 3.49Å; K544-V546 HydrophobicContact CD-CG2 4.44Å; K544-V546 HydrophobicContact CG-CG2 4.34Å; V546-I548 HydrophobicContact CG1-CG1 4.12Å; V546-I553 HydrophobicContact CG1-CB 4.38Å; V546-I553 HydrophobicContact CG1-CD1 3.8Å; V546-I553 HydrophobicContact CG1-CG1 3.66Å; V546-I553 HydrophobicContact CG1-CG2 3.86Å; V546-T556 HydrophobicContact CG2-CG2 4.17Å
547	V	93.1	Very high	88.8	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	120	176.9	-169.2	0	0	0	0	108.9	V373 I553 V554 E555 L562 A568 Y569 L572	V373-V547 HydrophobicContact CG2-CB 4.2Å; V373-V547 HydrophobicContact CG2-CG1 4.37Å; V373-V547 HydrophobicContact CG2-CG2 3.72Å; V373-V547 CarbonylContact O-C 3.59Å; V373-V547 WeakPolarHBondContact O-CA 3.39Å; V547-I553 WeakPolarHBondContact O-CA 3.43Å; V547-V554 HydrophobicContact CB-CG2 3.78Å; V547-V554 HydrophobicContact CG1-CG2 3.59Å; V547-V554 WeakPolarHBondContact O-CG2 3.07Å; V547-V554 PolarHBondContact O-N 3.47Å; V547-E555 HydrophobicContact CB-CB 4.01Å; V547-E555 HydrophobicContact CG2-CB 3.78Å; V547-E555 PolarHBondContact N-O 2.96Å; V547-L562 HydrophobicContact CG2-CD1 4.41Å; V547-A568 HydrophobicContact CG1-CB 4.06Å; V547-Y569 HydrophobicContact CG2-CD2 4.23Å; V547-Y569 HydrophobicContact CG2-CG 4.49Å; V547-L572 HydrophobicContact CG1-CD1 4.22Å
548	I	92.9	Very high	89.9	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.2	178.9	-55.3	-179.9	0	0	0	110	F372 V373 G378 K380 L383 V546 H552 I553	F372-I548 HydrophobicContact CD1-CD1 3.65Å; F372-I548 HydrophobicContact CD1-CG1 4.38Å; F372-I548 HydrophobicContact CE1-CD1 4.32Å; F372-I548 HydrophobicContact CG-CD1 4.47Å; V373-I548 PolarHBondContact O-N 3.2Å; G378-I548 WeakPolarHBondContact O-CG2 3.16Å; K380-I548 HydrophobicContact CG-CB 4.43Å; K380-I548 HydrophobicContact CG-CD1 4.49Å; L383-I548 HydrophobicContact CD2-CD1 3.7Å; V546-I548 HydrophobicContact CG1-CG1 4.12Å; I548-H552 WeakPolarHBondContact CA-O 3.38Å; I548-I553 HydrophobicContact CG1-CG1 4.37Å
549	E	91.2	Very high	90.8	Very high	55 Å²	55	43.2 Å²	43.2	26%	0.257	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.5	173.5	-66.3	-170.9	171	0	0	111.5	G551 H552 V554	E549-G551 PolarHBondContact O-N 3.3Å; E549-H552 PolarHBondContact N-O 3.28Å; E549-H552 PolarHBondContact O-N 2.84Å; E549-V554 HydrophobicContact CB-CG1 3.92Å; E549-V554 HydrophobicContact CB-CG2 4.34Å; E549-V554 HydrophobicContact CG-CG1 4.41Å; E549-V554 HydrophobicContact CG-CG2 3.97Å
550	N	90.9	Very high	91.5	Very high	128 Å²	128	53 Å²	53	68%	0.684	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	32.4	174.8	-61.4	-51.1	0	0	0	114.5	K358 H552	K358-N550 PolarHBondContact NZ-O 3.34Å; N550-H552 PolarHBondContact O-ND1 3.21Å
551	G	92.1	Very high	92.2	Very high	1 Å²	1	55.8 Å²	55.8	1%	0.01	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	12.2	-179.5	0	0	0	0	0	116.3	I356 K358 I360 G378 E549	I356-G551 WeakPolarHBondContact O-CA 3.48Å; K358-G551 PolarHBondContact N-O 2.8Å; I360-G551 WeakPolarHBondContact CD1-O 3.3Å; G378-G551 PolarHBondContact O-N 2.86Å; E549-G551 PolarHBondContact O-N 3.3Å
552	H	94.8	Very high	92.6	Very high	83 Å²	83	48.5 Å²	48.5	38%	0.384	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.1	176.7	-52.2	90.6	0	0	0	110.9	K358 I548 E549 N550 V554	K358-H552 WeakPolarHBondContact CB-NE2 3.31Å; K358-H552 WeakPolarHBondContact CD-CE1 3.36Å; K358-H552 PolarHBondContact O-CD2 3.49Å; I548-H552 WeakPolarHBondContact CA-O 3.38Å; E549-H552 PolarHBondContact N-O 3.28Å; E549-H552 PolarHBondContact O-N 2.84Å; N550-H552 PolarHBondContact O-ND1 3.21Å; H552-V554 PolarHBondContact O-N 3.35Å
553	I	94	Very high	92.6	Very high	43 Å²	43	50.6 Å²	50.6	22%	0.221	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	116.1	165.6	-66.8	170.1	0	0	0	107.8	I360 N361 L362 V546 V547 I548 T556	I360-I553 HydrophobicContact CD1-CG1 4.22Å; I360-I553 HydrophobicContact CG2-CD1 3.72Å; I360-I553 HydrophobicContact CG2-CG1 4.3Å; N361-I553 WeakPolarHBondContact O-CD1 3.19Å; L362-I553 HydrophobicContact CB-CD1 3.96Å; V546-I553 HydrophobicContact CG1-CB 4.38Å; V546-I553 HydrophobicContact CG1-CD1 3.8Å; V546-I553 HydrophobicContact CG1-CG1 3.66Å; V546-I553 HydrophobicContact CG1-CG2 3.86Å; V547-I553 WeakPolarHBondContact O-CA 3.43Å; I548-I553 HydrophobicContact CG1-CG1 4.37Å; I553-T556 WeakPolarHBondContact CG2-OG1 3.32Å
554	V	93.3	Very high	92.5	Very high	68 Å²	68	50.1 Å²	50.1	41%	0.412	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-33.4	179.5	-65.1	0	0	0	0	112.1	V547 E549 H552 A568	V547-V554 HydrophobicContact CB-CG2 3.78Å; V547-V554 HydrophobicContact CG1-CG2 3.59Å; V547-V554 WeakPolarHBondContact O-CG2 3.07Å; V547-V554 PolarHBondContact O-N 3.47Å; E549-V554 HydrophobicContact CB-CG1 3.92Å; E549-V554 HydrophobicContact CB-CG2 4.34Å; E549-V554 HydrophobicContact CG-CG1 4.41Å; E549-V554 HydrophobicContact CG-CG2 3.97Å; H552-V554 PolarHBondContact O-N 3.35Å; V554-A568 HydrophobicContact CG2-CB 4.14Å
555	E	93.3	Very high	92.3	Very high	32 Å²	32	54.2 Å²	54.2	15%	0.15	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	143.5	180	-62.8	178.5	176.5	0	0	111.2	V547 L562 G567 A568 Y569	V547-E555 HydrophobicContact CB-CB 4.01Å; V547-E555 HydrophobicContact CG2-CB 3.78Å; V547-E555 PolarHBondContact N-O 2.96Å; E555-L562 HydrophobicContact CB-CD2 3.89Å; E555-G567 WeakPolarHBondContact OE1-CA 3.48Å; E555-A568 PolarHBondContact OE1-N 3Å; E555-A568 PolarHBondContact OE2-N 3.35Å; E555-Y569 WeakPolarHBondContact OE2-CB 3.46Å; E555-Y569 PolarHBondContact OE2-N 3.41Å
556	T	93.9	Very high	91.9	Very high	55 Å²	55	61.7 Å²	61.7	34%	0.337	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	139.6	171.7	-55	0	0	0	0	109.2	K544 I545 V546 I553 K565	K544-T556 HydrophobicContact CD-CG2 3.88Å; K544-T556 HydrophobicContact CG-CG2 3.74Å; I545-T556 VanDerWaalsContact O-CA 3.29Å; I545-T556 WeakPolarHBondContact O-CA 3.47Å; V546-T556 HydrophobicContact CG2-CG2 4.17Å; I553-T556 WeakPolarHBondContact CG2-OG1 3.32Å; T556-K565 PolarHBondContact O-NZ 2.86Å
557	G	93.7	Very high	91.6	Very high	9 Å²	9	62.7 Å²	62.7	9%	0.093	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.4	-177.9	175.3	0	0	0	0	0	112.8	I545 E561	I545-G557 WeakPolarHBondContact CB-O 3.39Å; I545-G557 PolarHBondContact N-O 2.88Å; I545-G557 PolarHBondContact O-N 2.92Å; I545-G557 VanDerWaalsContact O-N 3.1Å; G557-E561 WeakPolarHBondContact CA-OE2 3.38Å
558	T	92.5	Very high	91.4	Very high	51 Å²	51	63.7 Å²	63.7	31%	0.313	33%	0.33	S	S	.	.			trans	-74.5	162.8	170.5	68.8	0	0	0	0	110.9	R560 E561 L562	T558-R560 VanDerWaalsContact C-N 3.27Å; T558-R560 PolarHBondContact O-N 3Å; T558-E561 PolarHBondContact N-OE2 2.89Å; T558-E561 PolarHBondContact O-N 2.92Å; T558-E561 VanDerWaalsContact O-N 3.14Å; T558-E561 VanDerWaalsContact OG1-CG 3.27Å; T558-E561 WeakPolarHBondContact OG1-CG 3.36Å; T558-E561 PolarHBondContact OG1-N 3.24Å; T558-E561 PolarHBondContact OG1-OE2 3.44Å; T558-L562 WeakPolarHBondContact O-CG 3.45Å; T558-L562 PolarHBondContact O-N 2.84Å
559	H	90.5	Very high	91.2	Very high	42 Å²	42	64 Å²	64	19%	0.194	33%	0.331	C	S	.	.	H	α-helix	trans	-49.7	-47.5	175.8	174.3	66.8	0	0	0	112.6	I545 E561 L562 I563 Y569 Y573	I545-H559 HydrophobicContact CD1-CB 3.87Å; H559-E561 PolarHBondContact O-N 2.84Å; H559-L562 PolarHBondContact O-N 3.39Å; H559-I563 VanDerWaalsContact O-CG1 3.31Å; H559-I563 WeakPolarHBondContact O-CG1 3.46Å; H559-I563 PolarHBondContact O-N 3.33Å; H559-Y569 AromaticContact ND1-CE1 3.5Å; H559-Y569 AromaticContact ND1-CZ 3.6Å; H559-Y569 PolarHBondContact ND1-OH 3.15Å; H559-Y573 AromaticContact CE1-CD2 3.98Å; H559-Y573 AromaticContact CE1-CE2 3.57Å; H559-Y573 AromaticContact CE1-CZ 3.97Å
560	R	90.3	Very high	91.1	Very high	211 Å²	211	64.3 Å²	64.3	80%	0.796	33%	0.333	S	S	*	.	H	α-helix	trans	-65.6	-40.4	-178.5	-67.9	-179.1	177.4	169.4	0.6	112.5	T558 A564	T558-R560 VanDerWaalsContact C-N 3.27Å; T558-R560 PolarHBondContact O-N 3Å; R560-A564 WeakPolarHBondContact O-CB 3.34Å; R560-A564 PolarHBondContact O-N 3.26Å
561	E	92.3	Very high	90.9	Very high	104 Å²	104	63.6 Å²	63.6	49%	0.486	33%	0.325	S	S	.	.	H	α-helix	trans	-65.9	-41.7	178.4	-71.6	167.1	173.5	0	0	111.8	G557 T558 H559 A564 K565	G557-E561 WeakPolarHBondContact CA-OE2 3.38Å; T558-E561 PolarHBondContact N-OE2 2.89Å; T558-E561 PolarHBondContact O-N 2.92Å; T558-E561 VanDerWaalsContact O-N 3.14Å; T558-E561 VanDerWaalsContact OG1-CG 3.27Å; T558-E561 WeakPolarHBondContact OG1-CG 3.36Å; T558-E561 PolarHBondContact OG1-N 3.24Å; T558-E561 PolarHBondContact OG1-OE2 3.44Å; H559-E561 PolarHBondContact O-N 2.84Å; E561-A564 PolarHBondContact O-N 3.04Å; E561-K565 WeakPolarHBondContact O-CG 3.18Å; E561-K565 PolarHBondContact O-N 3.45Å
562	L	90.7	Very high	90.5	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-73.3	-37.8	-177.8	-67.5	-176.7	0	0	0	112.7	I545 V547 E555 T558 H559 A564 K565 Y569	I545-L562 HydrophobicContact CB-CD1 3.64Å; I545-L562 HydrophobicContact CD1-CD1 4.46Å; I545-L562 HydrophobicContact CG2-CD1 3.71Å; V547-L562 HydrophobicContact CG2-CD1 4.41Å; E555-L562 HydrophobicContact CB-CD2 3.89Å; T558-L562 WeakPolarHBondContact O-CG 3.45Å; T558-L562 PolarHBondContact O-N 2.84Å; H559-L562 PolarHBondContact O-N 3.39Å; L562-A564 VanDerWaalsContact C-N 3.32Å; L562-A564 PolarHBondContact O-N 2.86Å; L562-K565 HydrophobicContact CD2-CD 4.29Å; L562-K565 PolarHBondContact O-N 3Å; L562-Y569 HydrophobicContact CB-CD1 3.31Å; L562-Y569 HydrophobicContact CB-CE1 4.04Å; L562-Y569 HydrophobicContact CB-CG 3.64Å; L562-Y569 HydrophobicContact CD1-CD1 4.14Å; L562-Y569 HydrophobicContact CD1-CD2 4.01Å; L562-Y569 HydrophobicContact CD1-CG 3.75Å; L562-Y569 HydrophobicContact CG-CD1 4.38Å; L562-Y569 HydrophobicContact CG-CG 4.34Å
563	I	89.3	Confident	90	Very high	52 Å²	52	64.1 Å²	64.1	27%	0.267	33%	0.326	S	S	.	.	H	α-helix	trans	-61.5	-42.5	171.5	-66.8	-63.4	0	0	0	110.8	H559 K565 Q566 Y569 E570 Y573	H559-I563 VanDerWaalsContact O-CG1 3.31Å; H559-I563 WeakPolarHBondContact O-CG1 3.46Å; H559-I563 PolarHBondContact O-N 3.33Å; I563-K565 VanDerWaalsContact C-N 3.26Å; I563-K565 PolarHBondContact O-N 3.48Å; I563-Q566 PolarHBondContact O-N 3.17Å; I563-Y569 HydrophobicContact CD1-CD1 3.99Å; I563-Y569 HydrophobicContact CD1-CE1 3.74Å; I563-Y569 HydrophobicContact CG1-CD1 4.32Å; I563-Y569 HydrophobicContact CG1-CE1 3.95Å; I563-E570 HydrophobicContact CD1-CB 4.43Å; I563-E570 HydrophobicContact CD1-CG 4.27Å; I563-Y573 HydrophobicContact CD1-CD1 3.58Å; I563-Y573 HydrophobicContact CD1-CD2 4.23Å; I563-Y573 HydrophobicContact CD1-CE1 4.13Å; I563-Y573 HydrophobicContact CD1-CG 3.66Å
564	A	90.4	Very high	89.5	Confident	80 Å²	80	64 Å²	64	66%	0.661	33%	0.329	S	S	*	.	H	α-helix	trans	-65.1	-28	179.2	0	0	0	0	0	113.4	R560 E561 L562 Q566	R560-A564 WeakPolarHBondContact O-CB 3.34Å; R560-A564 PolarHBondContact O-N 3.26Å; E561-A564 PolarHBondContact O-N 3.04Å; L562-A564 VanDerWaalsContact C-N 3.32Å; L562-A564 PolarHBondContact O-N 2.86Å; A564-Q566 VanDerWaalsContact C-N 3.28Å; A564-Q566 PolarHBondContact O-N 3.39Å
565	K	90.1	Very high	88.8	Confident	125 Å²	125	65 Å²	65	54%	0.543	33%	0.332	S	S	.	.	H	α-helix	trans	-71.9	-17.5	176.8	-76.6	176.2	-176.3	175.7	0	113.7	T556 E561 L562 I563 G567	T556-K565 PolarHBondContact O-NZ 2.86Å; E561-K565 WeakPolarHBondContact O-CG 3.18Å; E561-K565 PolarHBondContact O-N 3.45Å; L562-K565 HydrophobicContact CD2-CD 4.29Å; L562-K565 PolarHBondContact O-N 3Å; I563-K565 VanDerWaalsContact C-N 3.26Å; I563-K565 PolarHBondContact O-N 3.48Å; K565-G567 PolarHBondContact O-N 3.22Å
566	Q	85.6	Confident	87.6	Confident	157 Å²	157	67.5 Å²	67.5	73%	0.734	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.5	38.7	-176.6	-62.6	-174.8	-27	0	0	113.3	I563 A564	I563-Q566 PolarHBondContact O-N 3.17Å; A564-Q566 VanDerWaalsContact C-N 3.28Å; A564-Q566 PolarHBondContact O-N 3.39Å
567	G	89.8	Confident	86.2	Confident	21 Å²	21	69.7 Å²	69.7	22%	0.216	35%	0.353	C	S	.	.	S	Bend	trans	-102.9	-151.4	-176.4	0	0	0	0	0	113.5	E555 K565 Y569 E570 H571	E555-G567 WeakPolarHBondContact OE1-CA 3.48Å; K565-G567 PolarHBondContact O-N 3.22Å; G567-Y569 VanDerWaalsContact C-N 3.29Å; G567-Y569 PolarHBondContact O-N 3.47Å; G567-E570 PolarHBondContact O-N 2.91Å; G567-H571 PolarHBondContact O-N 3.3Å
568	A	87.9	Confident	83.9	Confident	21 Å²	21	78.8 Å²	78.8	17%	0.174	40%	0.398	C	S	.	.	H	α-helix	trans	-58.1	-39.6	-177.6	0	0	0	0	0	112.3	V547 V554 E555 H571 L572	V547-A568 HydrophobicContact CG1-CB 4.06Å; V554-A568 HydrophobicContact CG2-CB 4.14Å; E555-A568 PolarHBondContact OE1-N 3Å; E555-A568 PolarHBondContact OE2-N 3.35Å; A568-H571 PolarHBondContact O-N 3.26Å; A568-L572 WeakPolarHBondContact O-CG 2.96Å; A568-L572 PolarHBondContact O-N 3.27Å
569	Y	89.6	Confident	83.5	Confident	5 Å²	5	80.2 Å²	80.2	2%	0.02	40%	0.403	C	S	.	.	H	α-helix	trans	-62.7	-47.6	175.7	-178.9	-103.7	0	0	0	113	V373 I539 I545 V547 E555 H559 L562 I563 G567 H571 L572 Y573	V373-Y569 HydrophobicContact CG2-CD2 4.01Å; V373-Y569 HydrophobicContact CG2-CE2 4.36Å; I539-Y569 HydrophobicContact CG2-CE2 3.97Å; I545-Y569 HydrophobicContact CD1-CE2 3.94Å; I545-Y569 HydrophobicContact CG2-CD2 3.88Å; I545-Y569 HydrophobicContact CG2-CE2 3.75Å; V547-Y569 HydrophobicContact CG2-CD2 4.23Å; V547-Y569 HydrophobicContact CG2-CG 4.49Å; E555-Y569 WeakPolarHBondContact OE2-CB 3.46Å; E555-Y569 PolarHBondContact OE2-N 3.41Å; H559-Y569 AromaticContact ND1-CE1 3.5Å; H559-Y569 AromaticContact ND1-CZ 3.6Å; H559-Y569 PolarHBondContact ND1-OH 3.15Å; L562-Y569 HydrophobicContact CB-CD1 3.31Å; L562-Y569 HydrophobicContact CB-CE1 4.04Å; L562-Y569 HydrophobicContact CB-CG 3.64Å; L562-Y569 HydrophobicContact CD1-CD1 4.14Å; L562-Y569 HydrophobicContact CD1-CD2 4.01Å; L562-Y569 HydrophobicContact CD1-CG 3.75Å; L562-Y569 HydrophobicContact CG-CD1 4.38Å; L562-Y569 HydrophobicContact CG-CG 4.34Å; I563-Y569 HydrophobicContact CD1-CD1 3.99Å; I563-Y569 HydrophobicContact CD1-CE1 3.74Å; I563-Y569 HydrophobicContact CG1-CD1 4.32Å; I563-Y569 HydrophobicContact CG1-CE1 3.95Å; G567-Y569 VanDerWaalsContact C-N 3.29Å; G567-Y569 PolarHBondContact O-N 3.47Å; Y569-H571 VanDerWaalsContact C-N 3.28Å; Y569-H571 PolarHBondContact O-N 2.69Å; Y569-L572 PolarHBondContact O-N 2.94Å; Y569-Y573 VanDerWaalsContact O-CB 3.32Å; Y569-Y573 WeakPolarHBondContact O-CB 3.49Å; Y569-Y573 PolarHBondContact O-N 3.34Å
570	E	88.9	Confident	83.1	Confident	62 Å²	62	82.2 Å²	82.2	29%	0.29	41%	0.414	S	S	.	.	H	α-helix	trans	-62.9	-39.8	179.9	-171.1	-79.6	164.8	0	0	110.4	I563 G567 Y573 S574	I563-E570 HydrophobicContact CD1-CB 4.43Å; I563-E570 HydrophobicContact CD1-CG 4.27Å; G567-E570 PolarHBondContact O-N 2.91Å; E570-Y573 CarbonylContact O-C 3.5Å; E570-Y573 WeakPolarHBondContact O-CB 3.37Å; E570-Y573 PolarHBondContact O-N 3.41Å; E570-Y573 VanDerWaalsContact O-N 3.17Å; E570-S574 WeakPolarHBondContact O-CB 3.29Å; E570-S574 PolarHBondContact O-N 3.01Å
571	H	86.8	Confident	82.7	Confident	113 Å²	113	75.1 Å²	75.1	52%	0.523	39%	0.392	S	S	.	.	H	α-helix	trans	-60.6	-48.9	175	-173.2	54	0	0	0	111.8	G567 A568 Y569 Y573 S574 I575	G567-H571 PolarHBondContact O-N 3.3Å; A568-H571 PolarHBondContact O-N 3.26Å; Y569-H571 VanDerWaalsContact C-N 3.28Å; Y569-H571 PolarHBondContact O-N 2.69Å; H571-Y573 VanDerWaalsContact C-N 3.27Å; H571-Y573 PolarHBondContact O-N 3.22Å; H571-S574 PolarHBondContact O-N 3.48Å; H571-S574 PolarHBondContact O-OG 3.35Å; H571-I575 WeakPolarHBondContact O-CG1 3.39Å; H571-I575 PolarHBondContact O-N 2.87Å
572	L	83.8	Confident	82.1	Confident	38 Å²	38	73.4 Å²	73.4	20%	0.199	39%	0.387	C	S	.	.	H	α-helix	trans	-59.3	-39.6	174.7	-71.1	169.9	0	0	0	112	V547 A568 Y569 Q576	V547-L572 HydrophobicContact CG1-CD1 4.22Å; A568-L572 WeakPolarHBondContact O-CG 2.96Å; A568-L572 PolarHBondContact O-N 3.27Å; Y569-L572 PolarHBondContact O-N 2.94Å; L572-Q576 PolarHBondContact O-N 3.31Å
573	Y	83.5	Confident	81.6	Confident	58 Å²	58	77.9 Å²	77.9	23%	0.227	41%	0.411	C	S	.	.	H	α-helix	trans	-65.4	-43.8	178.4	-173.1	-95.9	0	0	0	111.9	L536 H559 I563 Y569 E570 H571 I575 Q576 N577	L536-Y573 HydrophobicContact CB-CE2 4.42Å; L536-Y573 HydrophobicContact CD1-CD2 3.82Å; L536-Y573 HydrophobicContact CD1-CE2 3.59Å; L536-Y573 HydrophobicContact CD1-CG 4.49Å; L536-Y573 HydrophobicContact CD2-CD2 3.43Å; L536-Y573 VanDerWaalsContact CD2-CD2 3.43Å; L536-Y573 HydrophobicContact CD2-CE2 3.87Å; L536-Y573 HydrophobicContact CD2-CG 4.32Å; L536-Y573 HydrophobicContact CG-CD2 4.17Å; L536-Y573 HydrophobicContact CG-CE2 4.15Å; H559-Y573 AromaticContact CE1-CD2 3.98Å; H559-Y573 AromaticContact CE1-CE2 3.57Å; H559-Y573 AromaticContact CE1-CZ 3.97Å; I563-Y573 HydrophobicContact CD1-CD1 3.58Å; I563-Y573 HydrophobicContact CD1-CD2 4.23Å; I563-Y573 HydrophobicContact CD1-CE1 4.13Å; I563-Y573 HydrophobicContact CD1-CG 3.66Å; Y569-Y573 VanDerWaalsContact O-CB 3.32Å; Y569-Y573 WeakPolarHBondContact O-CB 3.49Å; Y569-Y573 PolarHBondContact O-N 3.34Å; E570-Y573 CarbonylContact O-C 3.5Å; E570-Y573 WeakPolarHBondContact O-CB 3.37Å; E570-Y573 PolarHBondContact O-N 3.41Å; E570-Y573 VanDerWaalsContact O-N 3.17Å; H571-Y573 VanDerWaalsContact C-N 3.27Å; H571-Y573 PolarHBondContact O-N 3.22Å; Y573-I575 VanDerWaalsContact C-N 3.32Å; Y573-I575 PolarHBondContact O-N 2.9Å; Y573-Q576 PolarHBondContact O-N 2.96Å; Y573-N577 WeakPolarHBondContact CE1-ND2 3.19Å; Y573-N577 VanDerWaalsContact CZ-ND2 3.26Å; Y573-N577 PolarHBondContact O-N 3.14Å; Y573-N577 PolarHBondContact OH-ND2 2.84Å
574	S	82.9	Confident	81.1	Confident	40 Å²	40	79.7 Å²	79.7	28%	0.28	42%	0.421	S	S	.	.	H	α-helix	trans	-62.4	-37.2	178.8	74.8	0	0	0	0	112.4	E570 H571 Q576 N577 L578	E570-S574 WeakPolarHBondContact O-CB 3.29Å; E570-S574 PolarHBondContact O-N 3.01Å; H571-S574 PolarHBondContact O-N 3.48Å; H571-S574 PolarHBondContact O-OG 3.35Å; S574-Q576 VanDerWaalsContact C-N 3.33Å; S574-Q576 PolarHBondContact O-N 3.47Å; S574-N577 PolarHBondContact O-N 3.33Å; S574-L578 PolarHBondContact O-N 2.84Å
575	I	79.2	Confident	80.4	Confident	90 Å²	90	79.6 Å²	79.6	46%	0.462	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-34.7	178.5	-66.9	166	0	0	0	111.8	H571 Y573	H571-I575 WeakPolarHBondContact O-CG1 3.39Å; H571-I575 PolarHBondContact O-N 2.87Å; Y573-I575 VanDerWaalsContact C-N 3.32Å; Y573-I575 PolarHBondContact O-N 2.9Å
576	Q	69.1	Low	79.7	Confident	83 Å²	83	76.2 Å²	76.2	39%	0.388	39%	0.393	S	S	.	.	H	α-helix	trans	-83.8	-16.1	-178.7	-67.5	-167.1	11.2	0	0	114	H534 L536 L572 Y573 S574	H534-Q576 PolarHBondContact O-NE2 3.34Å; H534-Q576 PolarHBondContact O-OE1 3.16Å; L536-Q576 HydrophobicContact CD1-CB 3.76Å; L536-Q576 HydrophobicContact CD2-CB 4.11Å; L536-Q576 HydrophobicContact CD2-CG 4.5Å; L536-Q576 VanDerWaalsContact CD2-OE1 3.3Å; L536-Q576 HydrophobicContact CG-CB 3.82Å; L572-Q576 PolarHBondContact O-N 3.31Å; Y573-Q576 PolarHBondContact O-N 2.96Å; S574-Q576 VanDerWaalsContact C-N 3.33Å; S574-Q576 PolarHBondContact O-N 3.47Å
577	N	63.7	Low	79.2	Confident	102 Å²	102	69.4 Å²	69.4	55%	0.545	36%	0.364	S	S	.	.			trans	-93.2	-4.1	174.3	-86.8	-20.8	0	0	0	113.6	L536 Y573 S574	L536-N577 WeakPolarHBondContact CD1-OD1 3.44Å; Y573-N577 WeakPolarHBondContact CE1-ND2 3.19Å; Y573-N577 VanDerWaalsContact CZ-ND2 3.26Å; Y573-N577 PolarHBondContact O-N 3.14Å; Y573-N577 PolarHBondContact OH-ND2 2.84Å; S574-N577 PolarHBondContact O-N 3.33Å
578	L	44.9	Very low	78.2	Confident	200 Å²	200	73.8 Å²	73.8	100%	1.047	38%	0.378	S	S	*	.			trans	-78.4	0	166	-78.8	163	0	0	0	109.9	S574	S574-L578 PolarHBondContact O-N 2.84Å

Retrieved 578 of 578 residues in 1466.3 ms (Link to these results)

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