A0A061HZC8_CRIGR Loading...

NADPH oxidase 2

Catalytic subunit of the phagocyte NADPH oxidase complex that mediates the transfer of electrons from cytosolic NADPH to O2 to produce the superoxide anion (O2(-)). In the activated complex, electrons are first transferred from NADPH to flavin adenine dinucleotide (FAD) and subsequently transferred via two heme molecules to molecular oxygen, producing superoxide through an outer-sphere reaction. Activation of the NADPH oxidase complex is initiated by the assembly of cytosolic subunits of the NADPH oxidase complex with the core NADPH oxidase complex to form a complex at the plasma membrane or phagosomal membrane. This activation process is initiated by phosphorylation dependent binding of the cytosolic NCF1/p47-phox subunit to the C-terminus of CYBA/p22-phox. NADPH oxidase complex assembly is impaired through interaction with NRROS.

AlphaFold DB , UniProt , Accession A0A061HZC8, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100760802, Length 570 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.6	Very low	65.2	Low	218 Å²	218	59.5 Å²	59.5	100%	1.074	33%	0.333	S	S	*	.				0	-26.1	0	-68.2	-169.6	-147.7	0	0	113.7
2	G	47.6	Very low	67	Low	29 Å²	29	58 Å²	58	30%	0.299	32%	0.323	S	S	.	.	H	α-helix	trans	-65.6	-39.3	-178.2	0	0	0	0	0	115.3	W4 A5 S556	G2-W4 VanDerWaalsContact C-N 3.27Å; G2-W4 PolarHBondContact O-N 2.77Å; G2-A5 PolarHBondContact O-N 2.89Å; G2-S556 PolarHBondContact N-OG 2.97Å
3	N	55.9	Low	68.7	Low	30 Å²	30	63.6 Å²	63.6	16%	0.16	34%	0.342	C	S	.	.	H	α-helix	trans	-58.5	-36.6	-175.9	-57.8	-0.8	0	0	0	113.6	I551 S554 E555 S556	N3-I551 PolarHBondContact ND2-O 2.99Å; N3-S554 PolarHBondContact ND2-O 3.48Å; N3-S554 PolarHBondContact OD1-O 3.22Å; N3-E555 PolarHBondContact OD1-O 3.31Å; N3-E555 VanDerWaalsContact OD1-O 3.1Å; N3-S556 PolarHBondContact N-OG 2.79Å; N3-S556 WeakPolarHBondContact OD1-CA 3.42Å; N3-S556 WeakPolarHBondContact OD1-CB 3.39Å; N3-S556 PolarHBondContact OD1-N 3.34Å; N3-S556 PolarHBondContact OD1-OG 3.08Å
4	W	62.3	Low	70.3	Confident	126 Å²	126	62.6 Å²	62.6	48%	0.477	34%	0.339	S	S	.	.	H	α-helix	trans	-78.3	-36.6	-174.8	-178.9	88.1	0	0	0	112.2	G2 V6 N7 E8 I12	G2-W4 VanDerWaalsContact C-N 3.27Å; G2-W4 PolarHBondContact O-N 2.77Å; W4-V6 PolarHBondContact O-N 3.29Å; W4-N7 PolarHBondContact O-N 2.86Å; W4-E8 HydrophobicContact CD2-CB 4.09Å; W4-E8 HydrophobicContact CG-CB 4.4Å; W4-E8 HydrophobicContact CG-CG 4.47Å; W4-E8 WeakPolarHBondContact O-CB 3.44Å; W4-E8 PolarHBondContact O-N 3.12Å; W4-I12 HydrophobicContact CD2-CD1 4.47Å; W4-I12 HydrophobicContact CE3-CD1 4.48Å; W4-I12 HydrophobicContact CH2-CD1 2.96Å; W4-I12 HydrophobicContact CH2-CG1 4.27Å; W4-I12 HydrophobicContact CH2-CG2 4.24Å; W4-I12 HydrophobicContact CZ2-CD1 2.87Å; W4-I12 HydrophobicContact CZ2-CG1 4.35Å; W4-I12 HydrophobicContact CZ3-CD1 3.79Å
5	A	62.7	Low	71.8	Confident	56 Å²	56	60.9 Å²	60.9	46%	0.463	33%	0.329	S	S	.	.	H	α-helix	trans	-62.6	-31.7	178.5	0	0	0	0	0	112.5	G2 G9	G2-A5 PolarHBondContact O-N 2.89Å; A5-G9 VanDerWaalsContact O-CA 3.28Å; A5-G9 WeakPolarHBondContact O-CA 3.34Å; A5-G9 PolarHBondContact O-N 3.12Å
6	V	63.7	Low	73.2	Confident	48 Å²	48	63.8 Å²	63.8	29%	0.291	34%	0.343	S	S	.	.	H	α-helix	trans	-67.8	-38.6	178.2	179.3	0	0	0	0	111.7	W4 R92	W4-V6 PolarHBondContact O-N 3.29Å; V6-R92 PolarHBondContact O-NH2 2.99Å
7	N	64.4	Low	74.5	Confident	8 Å²	8	64 Å²	64	4%	0.043	35%	0.348	C	S	.	.	H	α-helix	trans	-91.6	-35.8	-177.4	-79	-25.4	0	0	0	113.9	W4 R92 F563	W4-N7 PolarHBondContact O-N 2.86Å; N7-R92 PolarHBondContact O-NH2 3.22Å; N7-R92 PolarHBondContact OD1-NH1 3.44Å; N7-F563 PolarHBondContact ND2-O 3.02Å
8	E	74.2	Confident	75.8	Confident	38 Å²	38	61.4 Å²	61.4	18%	0.178	33%	0.332	C	S	.	.	H	α-helix	trans	-115.2	-12.9	-169.7	-61.7	-60.6	139.2	0	0	113.7	W4 L10 S11 I12 R96	W4-E8 HydrophobicContact CD2-CB 4.09Å; W4-E8 HydrophobicContact CG-CB 4.4Å; W4-E8 HydrophobicContact CG-CG 4.47Å; W4-E8 WeakPolarHBondContact O-CB 3.44Å; W4-E8 PolarHBondContact O-N 3.12Å; E8-L10 PolarHBondContact O-N 2.88Å; E8-S11 WeakPolarHBondContact O-CB 3.06Å; E8-S11 PolarHBondContact O-N 3.04Å; E8-S11 VanDerWaalsContact O-N 3.08Å; E8-I12 HydrophobicContact CB-CD1 3.78Å; E8-I12 HydrophobicContact CB-CG1 4.42Å; E8-I12 WeakPolarHBondContact O-CG1 3.44Å; E8-I12 PolarHBondContact O-N 2.98Å; E8-R96 VanDerWaalsContact CD-NH2 3.34Å; E8-R96 IonicContact OE1-CZ 3.1Å; E8-R96 IonicContact OE1-NH1 2.79Å; E8-R96 IonicContact OE1-NH2 3.58Å; E8-R96 PolarHBondContact OE1-NH2 2.86Å; E8-R96 IonicContact OE2-CZ 3.8Å; E8-R96 IonicContact OE2-NH1 3.53Å; E8-R96 PolarHBondContact OE2-NH1 2.87Å; E8-R96 IonicContact OE2-NH2 3.96Å; E8-R96 PolarHBondContact OE2-NH2 3.2Å
9	G	79.5	Confident	76.9	Confident	24 Å²	24	61.6 Å²	61.6	25%	0.247	33%	0.333	C	S	.	.	H	α-helix	trans	-56.1	-48.9	-167.4	0	0	0	0	0	114.7	A5 I12 F13	A5-G9 VanDerWaalsContact O-CA 3.28Å; A5-G9 WeakPolarHBondContact O-CA 3.34Å; A5-G9 PolarHBondContact O-N 3.12Å; G9-I12 PolarHBondContact O-N 2.83Å; G9-F13 WeakPolarHBondContact O-CB 3.4Å; G9-F13 PolarHBondContact O-N 3.47Å
10	L	82.7	Confident	77.9	Confident	64 Å²	64	60.6 Å²	60.6	34%	0.335	34%	0.337	S	S	.	.	H	α-helix	trans	-65.1	-41.1	178.1	-179.4	63.1	0	0	0	111.9	E8 I12 F13 V14 R89 I90 Q93	E8-L10 PolarHBondContact O-N 2.88Å; L10-I12 VanDerWaalsContact C-N 3.26Å; L10-I12 PolarHBondContact O-N 2.91Å; L10-F13 PolarHBondContact O-N 3.15Å; L10-V14 HydrophobicContact CD1-CG2 4.42Å; L10-V14 WeakPolarHBondContact O-CG2 3.42Å; L10-V14 PolarHBondContact O-N 3.34Å; L10-R89 HydrophobicContact CD2-CB 4.38Å; L10-I90 HydrophobicContact CD2-CG1 4.37Å; L10-Q93 HydrophobicContact CD2-CB 4.05Å; L10-Q93 HydrophobicContact CD2-CG 4.5Å
11	S	83.1	Confident	78.9	Confident	13 Å²	13	61.3 Å²	61.3	9%	0.091	34%	0.34	C	S	.	.	H	α-helix	trans	-61	-41.1	179.4	-175	0	0	0	0	111.2	E8 V14 I15 Q93 R96	E8-S11 WeakPolarHBondContact O-CB 3.06Å; E8-S11 PolarHBondContact O-N 3.04Å; E8-S11 VanDerWaalsContact O-N 3.08Å; S11-V14 PolarHBondContact O-N 3.25Å; S11-I15 WeakPolarHBondContact O-CD1 3.38Å; S11-I15 VanDerWaalsContact O-CG1 3.22Å; S11-I15 WeakPolarHBondContact O-CG1 3.29Å; S11-I15 PolarHBondContact O-N 3.31Å; S11-Q93 PolarHBondContact OG-OE1 3.45Å; S11-R96 PolarHBondContact OG-NH1 3.35Å
12	I	85.9	Confident	81.6	Confident	42 Å²	42	51.1 Å²	51.1	22%	0.215	29%	0.29	C	S	.	.	H	α-helix	trans	-77	-38.4	-177.8	-68.4	175.8	0	0	0	111	W4 E8 G9 L10 V14 I15 L16	W4-I12 HydrophobicContact CD2-CD1 4.47Å; W4-I12 HydrophobicContact CE3-CD1 4.48Å; W4-I12 HydrophobicContact CH2-CD1 2.96Å; W4-I12 HydrophobicContact CH2-CG1 4.27Å; W4-I12 HydrophobicContact CH2-CG2 4.24Å; W4-I12 HydrophobicContact CZ2-CD1 2.87Å; W4-I12 HydrophobicContact CZ2-CG1 4.35Å; W4-I12 HydrophobicContact CZ3-CD1 3.79Å; E8-I12 HydrophobicContact CB-CD1 3.78Å; E8-I12 HydrophobicContact CB-CG1 4.42Å; E8-I12 WeakPolarHBondContact O-CG1 3.44Å; E8-I12 PolarHBondContact O-N 2.98Å; G9-I12 PolarHBondContact O-N 2.83Å; L10-I12 VanDerWaalsContact C-N 3.26Å; L10-I12 PolarHBondContact O-N 2.91Å; I12-V14 VanDerWaalsContact C-N 3.31Å; I12-V14 PolarHBondContact O-N 2.91Å; I12-I15 PolarHBondContact O-N 3.21Å; I12-L16 HydrophobicContact CG2-CD1 3.88Å; I12-L16 HydrophobicContact CG2-CG 4.1Å; I12-L16 WeakPolarHBondContact O-CB 3.17Å; I12-L16 VanDerWaalsContact O-CG 3.26Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.33Å
13	F	90.1	Very high	84	Confident	131 Å²	131	53.7 Å²	53.7	58%	0.575	30%	0.3	S	S	*	.	H	α-helix	trans	-54.7	-48.5	170.1	177	-101.2	0	0	0	111.5	G9 L10 I15 L16 V17	G9-F13 WeakPolarHBondContact O-CB 3.4Å; G9-F13 PolarHBondContact O-N 3.47Å; L10-F13 PolarHBondContact O-N 3.15Å; F13-I15 VanDerWaalsContact C-N 3.35Å; F13-I15 PolarHBondContact O-N 3.43Å; F13-L16 PolarHBondContact O-N 3.27Å; F13-V17 HydrophobicContact CD1-CG2 4.38Å; F13-V17 HydrophobicContact CD2-CG2 4.36Å; F13-V17 HydrophobicContact CE1-CG2 3.96Å; F13-V17 HydrophobicContact CE2-CG2 3.95Å; F13-V17 HydrophobicContact CZ-CG2 3.73Å; F13-V17 VanDerWaalsContact O-CG2 3.3Å; F13-V17 WeakPolarHBondContact O-CG2 3.45Å; F13-V17 PolarHBondContact O-N 3.04Å
14	V	90.6	Very high	86	Confident	50 Å²	50	58.2 Å²	58.2	30%	0.303	32%	0.318	S	S	.	.	H	α-helix	trans	-60.5	-43.3	177	171.7	0	0	0	0	111.6	L10 S11 I12 V17 W18 Q93	L10-V14 HydrophobicContact CD1-CG2 4.42Å; L10-V14 WeakPolarHBondContact O-CG2 3.42Å; L10-V14 PolarHBondContact O-N 3.34Å; S11-V14 PolarHBondContact O-N 3.25Å; I12-V14 VanDerWaalsContact C-N 3.31Å; I12-V14 PolarHBondContact O-N 2.91Å; V14-V17 PolarHBondContact O-N 3.33Å; V14-W18 WeakPolarHBondContact O-CB 3.41Å; V14-W18 PolarHBondContact O-N 3.25Å; V14-Q93 HydrophobicContact CG2-CG 4.42Å
15	I	92.3	Very high	87.7	Confident	36 Å²	36	53.2 Å²	53.2	19%	0.185	30%	0.301	C	S	.	.	H	α-helix	trans	-64.2	-44.7	177.4	-68.5	163.5	0	0	0	111.1	S11 I12 F13 W18 L19 M103	S11-I15 WeakPolarHBondContact O-CD1 3.38Å; S11-I15 VanDerWaalsContact O-CG1 3.22Å; S11-I15 WeakPolarHBondContact O-CG1 3.29Å; S11-I15 PolarHBondContact O-N 3.31Å; I12-I15 PolarHBondContact O-N 3.21Å; F13-I15 VanDerWaalsContact C-N 3.35Å; F13-I15 PolarHBondContact O-N 3.43Å; I15-W18 HydrophobicContact CG2-CE3 4.47Å; I15-W18 PolarHBondContact O-N 3.14Å; I15-L19 HydrophobicContact CG2-CD1 3.91Å; I15-L19 HydrophobicContact CG2-CG 4.3Å; I15-L19 WeakPolarHBondContact O-CB 3.48Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 2.84Å; I15-M103 HydrophobicContact CD1-CE 3.78Å; I15-M103 HydrophobicContact CD1-SD 4.11Å; I15-M103 HydrophobicContact CG1-CE 3.84Å; I15-M103 HydrophobicContact CG1-SD 4.4Å
16	L	94.1	Very high	89.4	Confident	107 Å²	107	53.1 Å²	53.1	56%	0.56	29%	0.29	S	S	*	.	H	α-helix	trans	-64.8	-40.3	179.3	-72.4	175.5	0	0	0	111.7	I12 F13 L19 G20	I12-L16 HydrophobicContact CG2-CD1 3.88Å; I12-L16 HydrophobicContact CG2-CG 4.1Å; I12-L16 WeakPolarHBondContact O-CB 3.17Å; I12-L16 VanDerWaalsContact O-CG 3.26Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.33Å; F13-L16 PolarHBondContact O-N 3.27Å; L16-L19 PolarHBondContact O-N 3.37Å; L16-G20 PolarHBondContact O-N 3.47Å
17	V	96	Very high	91	Very high	68 Å²	68	54.8 Å²	54.8	41%	0.412	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-46.8	173.6	170.4	0	0	0	0	110.5	F13 V14 L19 G20 L21	F13-V17 HydrophobicContact CD1-CG2 4.38Å; F13-V17 HydrophobicContact CD2-CG2 4.36Å; F13-V17 HydrophobicContact CE1-CG2 3.96Å; F13-V17 HydrophobicContact CE2-CG2 3.95Å; F13-V17 HydrophobicContact CZ-CG2 3.73Å; F13-V17 VanDerWaalsContact O-CG2 3.3Å; F13-V17 WeakPolarHBondContact O-CG2 3.45Å; F13-V17 PolarHBondContact O-N 3.04Å; V14-V17 PolarHBondContact O-N 3.33Å; V17-L19 PolarHBondContact O-N 3.31Å; V17-G20 PolarHBondContact O-N 3.22Å; V17-L21 HydrophobicContact CG1-CD1 4.19Å; V17-L21 WeakPolarHBondContact O-CG 3.22Å; V17-L21 PolarHBondContact O-N 2.95Å
18	W	97.3	Very high	92.6	Very high	17 Å²	17	58.8 Å²	58.8	6%	0.064	31%	0.314	C	S	.	.	H	α-helix	trans	-62	-42.6	177.2	166.3	73.1	0	0	0	112.8	V14 I15 L21 N22 F62 N63 F100 M103 V104 M107	V14-W18 WeakPolarHBondContact O-CB 3.41Å; V14-W18 PolarHBondContact O-N 3.25Å; I15-W18 HydrophobicContact CG2-CE3 4.47Å; I15-W18 PolarHBondContact O-N 3.14Å; W18-L21 PolarHBondContact O-N 2.81Å; W18-N22 PolarHBondContact NE1-ND2 3.26Å; W18-N22 VanDerWaalsContact NE1-ND2 3.19Å; W18-N22 PolarHBondContact O-N 2.96Å; W18-N22 VanDerWaalsContact O-N 3.12Å; W18-N22 PolarHBondContact O-ND2 2.96Å; W18-F62 AromaticContact CD1-CE1 3.66Å; W18-N63 PolarHBondContact NE1-OD1 3.29Å; W18-F100 HydrophobicContact CB-CE2 4.28Å; W18-F100 HydrophobicContact CB-CZ 4.49Å; W18-F100 HydrophobicContact CD2-CE2 4.04Å; W18-F100 HydrophobicContact CD2-CZ 4.44Å; W18-F100 HydrophobicContact CE3-CE2 4.4Å; W18-F100 AromaticContact CG-CE2 3.97Å; W18-F100 HydrophobicContact CG-CE2 3.97Å; W18-F100 HydrophobicContact CG-CZ 4.07Å; W18-M103 HydrophobicContact CH2-CB 4.23Å; W18-M103 HydrophobicContact CZ3-CB 4.35Å; W18-V104 HydrophobicContact CZ2-CG2 4.05Å; W18-M107 HydrophobicContact CH2-CB 3.88Å; W18-M107 HydrophobicContact CH2-CE 3.81Å; W18-M107 HydrophobicContact CH2-CG 4.29Å; W18-M107 HydrophobicContact CZ2-CB 3.63Å; W18-M107 HydrophobicContact CZ2-CE 4.16Å; W18-M107 HydrophobicContact CZ2-CG 3.87Å; W18-M107 HydrophobicContact CZ3-CE 4.43Å
19	L	97.3	Very high	93.6	Very high	66 Å²	66	60.4 Å²	60.4	35%	0.346	32%	0.319	S	S	.	.	H	α-helix	trans	-64.9	-44.5	174.6	-73.2	174.6	0	0	0	111.5	I15 L16 V17 L21 N22 V23 M107	I15-L19 HydrophobicContact CG2-CD1 3.91Å; I15-L19 HydrophobicContact CG2-CG 4.3Å; I15-L19 WeakPolarHBondContact O-CB 3.48Å; I15-L19 WeakPolarHBondContact O-CG 3.49Å; I15-L19 PolarHBondContact O-N 2.84Å; L16-L19 PolarHBondContact O-N 3.37Å; V17-L19 PolarHBondContact O-N 3.31Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 2.87Å; L19-N22 WeakPolarHBondContact O-CB 3.33Å; L19-N22 PolarHBondContact O-N 2.86Å; L19-N22 VanDerWaalsContact O-N 3.15Å; L19-V23 WeakPolarHBondContact O-CG2 3.35Å; L19-V23 PolarHBondContact O-N 3.18Å; L19-M107 HydrophobicContact CD2-CE 3.7Å
20	G	97.6	Very high	94.5	Very high	41 Å²	41	62.2 Å²	62.2	42%	0.423	32%	0.319	S	S	.	.	H	α-helix	trans	-58.7	-41.5	176.7	0	0	0	0	0	112.3	L16 V17 V23 F24	L16-G20 PolarHBondContact O-N 3.47Å; V17-G20 PolarHBondContact O-N 3.22Å; G20-V23 PolarHBondContact O-N 3.38Å; G20-F24 VanDerWaalsContact O-CB 3.26Å; G20-F24 WeakPolarHBondContact O-CB 3.48Å; G20-F24 PolarHBondContact O-N 2.94Å
21	L	97.7	Very high	95.2	Very high	75 Å²	75	65 Å²	65	39%	0.393	33%	0.329	S	S	.	.	H	α-helix	trans	-64.6	-40.8	174.4	-72.8	172.3	0	0	0	112.5	V17 W18 L19 F24 L25 F62	V17-L21 HydrophobicContact CG1-CD1 4.19Å; V17-L21 WeakPolarHBondContact O-CG 3.22Å; V17-L21 PolarHBondContact O-N 2.95Å; W18-L21 PolarHBondContact O-N 2.81Å; L19-L21 VanDerWaalsContact C-N 3.31Å; L19-L21 PolarHBondContact O-N 2.87Å; L21-F24 PolarHBondContact O-N 3.47Å; L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 3.14Å; L21-F62 HydrophobicContact CB-CE1 4.11Å; L21-F62 HydrophobicContact CB-CZ 4.04Å; L21-F62 HydrophobicContact CD1-CE2 4.47Å; L21-F62 HydrophobicContact CD1-CZ 3.9Å
22	N	98.2	Very high	95.8	Very high	4 Å²	4	69.1 Å²	69.1	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-62.5	-46.2	174.8	-84.2	-79.1	0	0	0	112	W18 L19 L25 F26 C59 N63	W18-N22 PolarHBondContact NE1-ND2 3.26Å; W18-N22 VanDerWaalsContact NE1-ND2 3.19Å; W18-N22 PolarHBondContact O-N 2.96Å; W18-N22 VanDerWaalsContact O-N 3.12Å; W18-N22 PolarHBondContact O-ND2 2.96Å; L19-N22 WeakPolarHBondContact O-CB 3.33Å; L19-N22 PolarHBondContact O-N 2.86Å; L19-N22 VanDerWaalsContact O-N 3.15Å; N22-L25 PolarHBondContact O-N 3.46Å; N22-F26 WeakPolarHBondContact O-CB 3.27Å; N22-F26 PolarHBondContact O-N 3.27Å; N22-C59 PolarHBondContact O-SG 3.47Å; N22-C59 VanDerWaalsContact O-SG 3.41Å; N22-N63 PolarHBondContact OD1-ND2 3.23Å
23	V	98.1	Very high	96.2	Very high	84 Å²	84	67.6 Å²	67.6	51%	0.509	34%	0.337	S	S	.	.	H	α-helix	trans	-63.1	-45.2	177.6	172.3	0	0	0	0	110.7	L19 G20 F26 I27	L19-V23 WeakPolarHBondContact O-CG2 3.35Å; L19-V23 PolarHBondContact O-N 3.18Å; G20-V23 PolarHBondContact O-N 3.38Å; V23-F26 PolarHBondContact O-N 2.91Å; V23-I27 HydrophobicContact CG1-CD1 3.66Å; V23-I27 HydrophobicContact CG1-CG1 4.38Å; V23-I27 WeakPolarHBondContact O-CG1 3.41Å; V23-I27 PolarHBondContact O-N 2.78Å
24	F	98.1	Very high	96.5	Very high	124 Å²	124	63.9 Å²	63.9	54%	0.544	32%	0.323	S	S	.	.	H	α-helix	trans	-58	-50.8	176.1	169.9	-99.8	0	0	0	111.7	G20 L21 F26 I27 H28	G20-F24 VanDerWaalsContact O-CB 3.26Å; G20-F24 WeakPolarHBondContact O-CB 3.48Å; G20-F24 PolarHBondContact O-N 2.94Å; L21-F24 PolarHBondContact O-N 3.47Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3.04Å; F24-I27 PolarHBondContact O-N 3.06Å; F24-H28 HydrophobicContact CZ-CB 4.45Å; F24-H28 WeakPolarHBondContact O-CB 3.04Å; F24-H28 PolarHBondContact O-N 2.99Å
25	L	97.8	Very high	96.6	Very high	22 Å²	22	66.6 Å²	66.6	12%	0.115	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-44.1	178.7	-73.7	172.1	0	0	0	111.3	L21 N22 Y29 F62	L21-L25 WeakPolarHBondContact O-CB 3.41Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.48Å; L21-L25 PolarHBondContact O-N 3.14Å; N22-L25 PolarHBondContact O-N 3.46Å; L25-Y29 HydrophobicContact CD2-CD2 4.47Å; L25-Y29 HydrophobicContact CD2-CE2 4.13Å; L25-Y29 WeakPolarHBondContact O-CB 3.1Å; L25-Y29 WeakPolarHBondContact O-CD2 3.48Å; L25-Y29 PolarHBondContact O-N 3.48Å; L25-F62 HydrophobicContact CD1-CB 3.66Å; L25-F62 HydrophobicContact CD1-CD1 3.99Å; L25-F62 HydrophobicContact CD1-CD2 4.31Å; L25-F62 HydrophobicContact CD1-CG 3.74Å
26	F	98.3	Very high	96.6	Very high	53 Å²	53	65.6 Å²	65.6	23%	0.232	33%	0.334	C	S	.	.	H	α-helix	trans	-58.9	-54.5	177.8	-172.9	-82.1	0	0	0	111	N22 V23 F24 H28 Y30 L52 A55 P56 H111	N22-F26 WeakPolarHBondContact O-CB 3.27Å; N22-F26 PolarHBondContact O-N 3.27Å; V23-F26 PolarHBondContact O-N 2.91Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3.04Å; F26-H28 PolarHBondContact O-N 3.49Å; F26-Y30 HydrophobicContact CE1-CD2 4.24Å; F26-Y30 WeakPolarHBondContact O-CB 3.49Å; F26-Y30 PolarHBondContact O-N 2.91Å; F26-L52 HydrophobicContact CZ-CD2 4.23Å; F26-A55 HydrophobicContact CD1-CB 4.35Å; F26-A55 HydrophobicContact CD2-CB 3.85Å; F26-A55 HydrophobicContact CE1-CB 4.45Å; F26-A55 HydrophobicContact CE2-CB 3.99Å; F26-A55 HydrophobicContact CG-CB 4.04Å; F26-A55 HydrophobicContact CZ-CB 4.29Å; F26-A55 VanDerWaalsContact O-CB 3.29Å; F26-A55 WeakPolarHBondContact O-CB 3.45Å; F26-P56 HydrophobicContact CD2-CG 4.49Å; F26-P56 HydrophobicContact CE2-CG 3.92Å; F26-H111 AromaticContact CD2-CE1 3.91Å
27	I	98.1	Very high	96.5	Very high	83 Å²	83	64.6 Å²	64.6	43%	0.426	33%	0.334	S	S	.	.	H	α-helix	trans	-63.8	-44	-177.7	-66.3	171.3	0	0	0	111	V23 F24 Y30 K31	V23-I27 HydrophobicContact CG1-CD1 3.66Å; V23-I27 HydrophobicContact CG1-CG1 4.38Å; V23-I27 WeakPolarHBondContact O-CG1 3.41Å; V23-I27 PolarHBondContact O-N 2.78Å; F24-I27 PolarHBondContact O-N 3.06Å; I27-Y30 PolarHBondContact O-N 3.13Å; I27-K31 HydrophobicContact CG2-CD 4.27Å; I27-K31 WeakPolarHBondContact O-CG 3.25Å; I27-K31 PolarHBondContact O-N 3.28Å
28	H	97.6	Very high	96.4	Very high	92 Å²	92	64 Å²	64	43%	0.426	33%	0.326	S	S	.	.	H	α-helix	trans	-60.2	-51.8	-179.5	177.2	79.3	0	0	0	111.4	F24 F26 F32	F24-H28 HydrophobicContact CZ-CB 4.45Å; F24-H28 WeakPolarHBondContact O-CB 3.04Å; F24-H28 PolarHBondContact O-N 2.99Å; F26-H28 PolarHBondContact O-N 3.49Å; H28-F32 WeakPolarHBondContact O-CB 3.46Å; H28-F32 PolarHBondContact O-N 3.17Å
29	Y	96.4	Very high	96.3	Very high	72 Å²	72	63.4 Å²	63.4	28%	0.282	32%	0.324	S	S	.	.	H	α-helix	trans	-70.7	-33.2	179.3	-82.7	-79	0	0	0	112.2	L25 F32 Y33 A58	L25-Y29 HydrophobicContact CD2-CD2 4.47Å; L25-Y29 HydrophobicContact CD2-CE2 4.13Å; L25-Y29 WeakPolarHBondContact O-CB 3.1Å; L25-Y29 WeakPolarHBondContact O-CD2 3.48Å; L25-Y29 PolarHBondContact O-N 3.48Å; Y29-F32 PolarHBondContact O-N 3.01Å; Y29-Y33 HydrophobicContact CD1-CE2 4.03Å; Y29-Y33 VanDerWaalsContact O-CD2 3.29Å; Y29-Y33 WeakPolarHBondContact O-CD2 3.41Å; Y29-Y33 PolarHBondContact O-N 3.15Å; Y29-Y33 VanDerWaalsContact O-N 3.16Å; Y29-A58 HydrophobicContact CD1-CB 4.34Å; Y29-A58 HydrophobicContact CD2-CB 3.26Å; Y29-A58 HydrophobicContact CE2-CB 3.53Å; Y29-A58 HydrophobicContact CG-CB 3.71Å
30	Y	97.6	Very high	96.1	Very high	63 Å²	63	62 Å²	62	25%	0.247	32%	0.315	C	S	.	.	H	α-helix	trans	-57.6	-57	173.8	-173.9	-80.2	0	0	0	110	F26 I27 F32 Y33 D34 A51 L52	F26-Y30 HydrophobicContact CE1-CD2 4.24Å; F26-Y30 WeakPolarHBondContact O-CB 3.49Å; F26-Y30 PolarHBondContact O-N 2.91Å; I27-Y30 PolarHBondContact O-N 3.13Å; Y30-F32 VanDerWaalsContact C-N 3.31Å; Y30-F32 PolarHBondContact O-N 2.85Å; Y30-Y33 PolarHBondContact O-N 3.31Å; Y30-D34 HydrophobicContact CD1-CB 4.14Å; Y30-D34 HydrophobicContact CE1-CB 3.92Å; Y30-D34 WeakPolarHBondContact CE1-OD2 3.48Å; Y30-D34 VanDerWaalsContact O-CB 3.26Å; Y30-D34 WeakPolarHBondContact O-CB 3.21Å; Y30-D34 PolarHBondContact O-N 3.21Å; Y30-A51 HydrophobicContact CD1-CB 4.42Å; Y30-A51 HydrophobicContact CD2-CB 3.76Å; Y30-A51 HydrophobicContact CE1-CB 4.42Å; Y30-A51 HydrophobicContact CE2-CB 3.8Å; Y30-A51 HydrophobicContact CG-CB 4.08Å; Y30-L52 HydrophobicContact CD2-CD2 4.23Å; Y30-L52 HydrophobicContact CE2-CD2 3.79Å; Y30-L52 HydrophobicContact CE2-CG 3.97Å
31	K	96.9	Very high	95.8	Very high	122 Å²	122	60 Å²	60	53%	0.53	30%	0.295	S	S	.	.	H	α-helix	trans	-60.2	-38.5	178.2	-71.3	-172.9	174.8	-171.5	0	112.8	I27 Y33 D34 D35	I27-K31 HydrophobicContact CG2-CD 4.27Å; I27-K31 WeakPolarHBondContact O-CG 3.25Å; I27-K31 PolarHBondContact O-N 3.28Å; K31-Y33 VanDerWaalsContact C-N 3.3Å; K31-Y33 PolarHBondContact O-N 3.42Å; K31-D34 PolarHBondContact O-N 2.81Å; K31-D35 WeakPolarHBondContact O-CB 3.49Å; K31-D35 PolarHBondContact O-N 2.75Å
32	F	95.4	Very high	95.5	Very high	99 Å²	99	56.6 Å²	56.6	43%	0.434	28%	0.277	S	S	.	.	H	α-helix	trans	-59.6	-39.6	178.5	-179.4	-99.5	0	0	0	112.9	H28 Y29 Y30 G36 Y39	H28-F32 WeakPolarHBondContact O-CB 3.46Å; H28-F32 PolarHBondContact O-N 3.17Å; Y29-F32 PolarHBondContact O-N 3.01Å; Y30-F32 VanDerWaalsContact C-N 3.31Å; Y30-F32 PolarHBondContact O-N 2.85Å; F32-G36 WeakPolarHBondContact O-CA 3.38Å; F32-G36 PolarHBondContact O-N 3.31Å; F32-Y39 HydrophobicContact CD1-CE2 4.09Å; F32-Y39 AromaticContact CE1-CE2 3.59Å; F32-Y39 HydrophobicContact CE1-CE2 3.59Å; F32-Y39 HydrophobicContact CZ-CE2 4.23Å
33	Y	95.4	Very high	95.3	Very high	11 Å²	11	58.3 Å²	58.3	4%	0.043	28%	0.283	C	S	.	.	H	α-helix	trans	-86.1	-29.4	177.4	-76.2	-85.9	0	0	0	113	Y29 Y30 K31 Y39 R43 L50 R54 V228 N265	Y29-Y33 HydrophobicContact CD1-CE2 4.03Å; Y29-Y33 VanDerWaalsContact O-CD2 3.29Å; Y29-Y33 WeakPolarHBondContact O-CD2 3.41Å; Y29-Y33 PolarHBondContact O-N 3.15Å; Y29-Y33 VanDerWaalsContact O-N 3.16Å; Y30-Y33 PolarHBondContact O-N 3.31Å; K31-Y33 VanDerWaalsContact C-N 3.3Å; K31-Y33 PolarHBondContact O-N 3.42Å; Y33-Y39 AromaticContact CD1-CD1 3.96Å; Y33-Y39 HydrophobicContact CD1-CD1 3.96Å; Y33-Y39 AromaticContact CD1-CD2 3.65Å; Y33-Y39 HydrophobicContact CD1-CD2 3.65Å; Y33-Y39 AromaticContact CD1-CE1 3.89Å; Y33-Y39 HydrophobicContact CD1-CE1 3.89Å; Y33-Y39 AromaticContact CD1-CE2 3.58Å; Y33-Y39 HydrophobicContact CD1-CE2 3.58Å; Y33-Y39 AromaticContact CD1-CG 3.84Å; Y33-Y39 HydrophobicContact CD1-CG 3.84Å; Y33-Y39 AromaticContact CD1-CZ 3.7Å; Y33-Y39 HydrophobicContact CE1-CD1 4.1Å; Y33-Y39 HydrophobicContact CE1-CD2 4.15Å; Y33-Y39 AromaticContact CE1-CE1 3.57Å; Y33-Y39 HydrophobicContact CE1-CE1 3.57Å; Y33-Y39 AromaticContact CE1-CE2 3.62Å; Y33-Y39 HydrophobicContact CE1-CE2 3.62Å; Y33-Y39 HydrophobicContact CE1-CG 4.37Å; Y33-Y39 AromaticContact CE1-CZ 3.29Å; Y33-Y39 HydrophobicContact CG-CD2 4.33Å; Y33-Y39 HydrophobicContact CG-CE2 4.33Å; Y33-R43 VanDerWaalsContact O-CD 3.28Å; Y33-R43 WeakPolarHBondContact O-CD 3.1Å; Y33-R43 PolarHBondContact O-NH1 3.02Å; Y33-L50 HydrophobicContact CD1-CD1 4.3Å; Y33-L50 HydrophobicContact CD1-CD2 4.28Å; Y33-L50 HydrophobicContact CD1-CG 4.22Å; Y33-R54 HydrophobicContact CD1-CB 4.37Å; Y33-R54 HydrophobicContact CD1-CG 3.85Å; Y33-R54 HydrophobicContact CD2-CB 3.41Å; Y33-R54 VanDerWaalsContact CD2-CB 3.41Å; Y33-R54 HydrophobicContact CD2-CG 3.82Å; Y33-R54 HydrophobicContact CE1-CB 4.36Å; Y33-R54 HydrophobicContact CE1-CG 3.74Å; Y33-R54 HydrophobicContact CE2-CB 3.43Å; Y33-R54 VanDerWaalsContact CE2-CB 3.43Å; Y33-R54 HydrophobicContact CE2-CG 3.75Å; Y33-R54 HydrophobicContact CG-CB 3.92Å; Y33-R54 HydrophobicContact CG-CG 3.89Å; Y33-R54 PolarHBondContact OH-NE 3.03Å; Y33-V228 HydrophobicContact CE1-CG1 3.98Å; Y33-N265 PolarHBondContact OH-ND2 2.73Å
34	D	95.5	Very high	94.9	Very high	52 Å²	52	59 Å²	59	28%	0.278	28%	0.279	S	S	.	.	H	α-helix	trans	-79.7	-39.2	-178.7	-154.3	42.1	0	0	0	113.1	Y30 K31 R43 A51	Y30-D34 HydrophobicContact CD1-CB 4.14Å; Y30-D34 HydrophobicContact CE1-CB 3.92Å; Y30-D34 WeakPolarHBondContact CE1-OD2 3.48Å; Y30-D34 VanDerWaalsContact O-CB 3.26Å; Y30-D34 WeakPolarHBondContact O-CB 3.21Å; Y30-D34 PolarHBondContact O-N 3.21Å; K31-D34 PolarHBondContact O-N 2.81Å; D34-R43 WeakPolarHBondContact O-CD 3.26Å; D34-R43 PolarHBondContact O-NE 3.1Å; D34-R43 PolarHBondContact O-NH1 3.25Å; D34-R43 VanDerWaalsContact O-NH1 3.14Å; D34-R43 PolarHBondContact O-NH2 3.37Å; D34-A51 HydrophobicContact CB-CB 4.09Å
35	D	93.8	Very high	94.5	Very high	108 Å²	108	53.7 Å²	53.7	58%	0.578	26%	0.256	S	S	*	.	H	α-helix	trans	-101.7	-25.9	-176.1	-58.6	-38.7	0	0	0	112.6	K31	K31-D35 WeakPolarHBondContact O-CB 3.49Å; K31-D35 PolarHBondContact O-N 2.75Å
36	G	92.7	Very high	94.2	Very high	15 Å²	15	53.2 Å²	53.2	16%	0.155	25%	0.254	C	S	.	.			trans	-63.2	132.3	-169.9	0	0	0	0	0	113.6	F32 K38 Y39 R43	F32-G36 WeakPolarHBondContact O-CA 3.38Å; F32-G36 PolarHBondContact O-N 3.31Å; G36-K38 PolarHBondContact O-N 3.47Å; G36-Y39 PolarHBondContact O-N 3.33Å; G36-R43 PolarHBondContact O-NH1 3.04Å; G36-R43 PolarHBondContact O-NH2 3.32Å
37	P	91.9	Very high	93.9	Very high	86 Å²	86	52.2 Å²	52.2	56%	0.558	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-63.7	-29.3	-177.1	24.6	-33.9	0	0	0	112.7	Y39 F40 I241	P37-Y39 PolarHBondContact O-N 3.39Å; P37-Y39 VanDerWaalsContact O-N 3.14Å; P37-F40 VanDerWaalsContact O-CB 3.3Å; P37-F40 WeakPolarHBondContact O-CB 3.25Å; P37-F40 PolarHBondContact O-N 2.95Å; P37-F40 VanDerWaalsContact O-N 3.14Å; P37-I241 HydrophobicContact CB-CD1 3.96Å; P37-I241 WeakPolarHBondContact O-CD1 3.36Å
38	K	93.2	Very high	93.6	Very high	56 Å²	56	51 Å²	51	24%	0.243	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-52.1	-37	176	-177.8	177.4	-179.6	-169.8	0	113.5	G36 G230 Q231 L236 N265	G36-K38 PolarHBondContact O-N 3.47Å; K38-G230 WeakPolarHBondContact O-CA 3.12Å; K38-Q231 WeakPolarHBondContact CE-O 3.35Å; K38-Q231 WeakPolarHBondContact CG-O 3.17Å; K38-Q231 PolarHBondContact O-N 2.92Å; K38-L236 HydrophobicContact CB-CD1 4.15Å; K38-L236 HydrophobicContact CG-CD1 4.39Å; K38-N265 PolarHBondContact NZ-OD1 3.41Å
39	Y	94.4	Very high	93.4	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.012	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-103.1	12.8	-174.3	-57.7	-72.5	0	0	0	113.1	F32 Y33 G36 P37 Y41 T42 R43 L50 N265	F32-Y39 HydrophobicContact CD1-CE2 4.09Å; F32-Y39 AromaticContact CE1-CE2 3.59Å; F32-Y39 HydrophobicContact CE1-CE2 3.59Å; F32-Y39 HydrophobicContact CZ-CE2 4.23Å; Y33-Y39 AromaticContact CD1-CD1 3.96Å; Y33-Y39 HydrophobicContact CD1-CD1 3.96Å; Y33-Y39 AromaticContact CD1-CD2 3.65Å; Y33-Y39 HydrophobicContact CD1-CD2 3.65Å; Y33-Y39 AromaticContact CD1-CE1 3.89Å; Y33-Y39 HydrophobicContact CD1-CE1 3.89Å; Y33-Y39 AromaticContact CD1-CE2 3.58Å; Y33-Y39 HydrophobicContact CD1-CE2 3.58Å; Y33-Y39 AromaticContact CD1-CG 3.84Å; Y33-Y39 HydrophobicContact CD1-CG 3.84Å; Y33-Y39 AromaticContact CD1-CZ 3.7Å; Y33-Y39 HydrophobicContact CE1-CD1 4.1Å; Y33-Y39 HydrophobicContact CE1-CD2 4.15Å; Y33-Y39 AromaticContact CE1-CE1 3.57Å; Y33-Y39 HydrophobicContact CE1-CE1 3.57Å; Y33-Y39 AromaticContact CE1-CE2 3.62Å; Y33-Y39 HydrophobicContact CE1-CE2 3.62Å; Y33-Y39 HydrophobicContact CE1-CG 4.37Å; Y33-Y39 AromaticContact CE1-CZ 3.29Å; Y33-Y39 HydrophobicContact CG-CD2 4.33Å; Y33-Y39 HydrophobicContact CG-CE2 4.33Å; G36-Y39 PolarHBondContact O-N 3.33Å; P37-Y39 PolarHBondContact O-N 3.39Å; P37-Y39 VanDerWaalsContact O-N 3.14Å; Y39-Y41 PolarHBondContact O-N 3.46Å; Y39-T42 CarbonylContact O-C 3.43Å; Y39-T42 WeakPolarHBondContact O-CB 3.35Å; Y39-T42 PolarHBondContact O-N 3.12Å; Y39-T42 VanDerWaalsContact O-N 3.14Å; Y39-R43 WeakPolarHBondContact O-CG 3.38Å; Y39-R43 PolarHBondContact O-N 3.43Å; Y39-L50 HydrophobicContact CG-CD2 4.41Å; Y39-N265 PolarHBondContact OH-ND2 3.49Å; Y39-N265 PolarHBondContact OH-OD1 2.86Å; Y39-N265 VanDerWaalsContact OH-OD1 3.05Å
40	F	92.8	Very high	93.4	Very high	37 Å²	37	43.4 Å²	43.4	16%	0.162	23%	0.225	C	C	.	.	H	α-helix	trans	-52	-57.4	-176.7	-175.2	-97.1	0	0	0	113.2	P37 T42 R43 K44 Y137 I241 E245	P37-F40 VanDerWaalsContact O-CB 3.3Å; P37-F40 WeakPolarHBondContact O-CB 3.25Å; P37-F40 PolarHBondContact O-N 2.95Å; P37-F40 VanDerWaalsContact O-N 3.14Å; F40-T42 VanDerWaalsContact C-N 3.34Å; F40-T42 PolarHBondContact O-N 2.96Å; F40-R43 PolarHBondContact O-N 3.05Å; F40-K44 HydrophobicContact CE1-CG 4.37Å; F40-K44 VanDerWaalsContact CZ-CE 3.45Å; F40-K44 PolarHBondContact O-N 2.81Å; F40-K44 VanDerWaalsContact O-N 3.15Å; F40-Y137 WeakPolarHBondContact CE1-OH 3.16Å; F40-I241 HydrophobicContact CB-CD1 4.2Å; F40-I241 HydrophobicContact CB-CG2 4.21Å; F40-I241 HydrophobicContact CD1-CG2 3.38Å; F40-I241 HydrophobicContact CD2-CG2 4.18Å; F40-I241 HydrophobicContact CE1-CG2 3.71Å; F40-I241 HydrophobicContact CE2-CG2 4.47Å; F40-I241 HydrophobicContact CG-CG2 3.64Å; F40-I241 HydrophobicContact CZ-CG2 4.26Å; F40-E245 HydrophobicContact CE1-CB 4.25Å; F40-E245 HydrophobicContact CE1-CG 3.92Å; F40-E245 HydrophobicContact CZ-CG 4.09Å; F40-E245 VanDerWaalsContact CZ-OE1 3.3Å; F40-E245 WeakPolarHBondContact CZ-OE1 3.31Å; F40-E245 VanDerWaalsContact CZ-OE2 3.27Å; F40-E245 WeakPolarHBondContact CZ-OE2 3.38Å
41	Y	91.4	Very high	93.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-36.8	176.6	-64.3	-70.3	0	0	0	112.7	Y39 R43 K44 L45 Y137 L141 Q231 H239 I241 W251 P260 F262	Y39-Y41 PolarHBondContact O-N 3.46Å; Y41-R43 VanDerWaalsContact C-N 3.29Å; Y41-R43 PolarHBondContact O-N 3.36Å; Y41-K44 PolarHBondContact O-N 3Å; Y41-L45 PolarHBondContact O-N 3.43Å; Y41-Y137 AromaticContact CD1-CE1 3.77Å; Y41-Y137 HydrophobicContact CD1-CE1 3.77Å; Y41-Y137 AromaticContact CD1-CZ 3.64Å; Y41-Y137 WeakPolarHBondContact CD1-OH 3.47Å; Y41-Y137 HydrophobicContact CE1-CE1 4.32Å; Y41-Y137 AromaticContact CE1-CZ 3.73Å; Y41-Y137 WeakPolarHBondContact CE1-OH 3.24Å; Y41-L141 HydrophobicContact CD1-CD1 4.27Å; Y41-L141 HydrophobicContact CD1-CD2 3.86Å; Y41-L141 HydrophobicContact CG-CD2 4.04Å; Y41-L141 WeakPolarHBondContact O-CD1 3.46Å; Y41-Q231 HydrophobicContact CD2-CG 3.92Å; Y41-Q231 HydrophobicContact CE2-CG 4.48Å; Y41-H239 AromaticContact CE2-CD2 3.88Å; Y41-H239 AromaticContact CE2-NE2 3.7Å; Y41-H239 AromaticContact CZ-NE2 3.41Å; Y41-H239 PolarHBondContact OH-CD2 3.24Å; Y41-H239 PolarHBondContact OH-NE2 3.42Å; Y41-I241 HydrophobicContact CE2-CG1 4.3Å; Y41-W251 HydrophobicContact CD1-CH2 4Å; Y41-W251 HydrophobicContact CD1-CZ2 4.32Å; Y41-W251 AromaticContact CE1-CH2 3.74Å; Y41-W251 HydrophobicContact CE1-CH2 3.74Å; Y41-W251 AromaticContact CE1-CZ2 3.59Å; Y41-W251 HydrophobicContact CE1-CZ2 3.59Å; Y41-P260 HydrophobicContact CD2-CB 4.45Å; Y41-P260 HydrophobicContact CE2-CB 4.37Å; Y41-F262 HydrophobicContact CD2-CE1 4.23Å; Y41-F262 HydrophobicContact CD2-CZ 4.1Å; Y41-F262 HydrophobicContact CG-CE1 4.43Å; Y41-F262 HydrophobicContact CG-CZ 4.17Å
42	T	92.4	Very high	93.3	Very high	3 Å²	3	37.4 Å²	37.4	2%	0.018	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-40.8	175.4	-43.7	0	0	0	0	111.3	Y39 F40 L45 L46 L50 L153 R229	Y39-T42 CarbonylContact O-C 3.43Å; Y39-T42 WeakPolarHBondContact O-CB 3.35Å; Y39-T42 PolarHBondContact O-N 3.12Å; Y39-T42 VanDerWaalsContact O-N 3.14Å; F40-T42 VanDerWaalsContact C-N 3.34Å; F40-T42 PolarHBondContact O-N 2.96Å; T42-L45 PolarHBondContact O-N 3.35Å; T42-L46 HydrophobicContact CG2-CD1 3.91Å; T42-L46 HydrophobicContact CG2-CG 4.47Å; T42-L46 VanDerWaalsContact O-CB 3.27Å; T42-L46 WeakPolarHBondContact O-CB 3Å; T42-L46 PolarHBondContact O-N 2.95Å; T42-L50 HydrophobicContact CG2-CD1 4.27Å; T42-L50 HydrophobicContact CG2-CD2 3.72Å; T42-L153 HydrophobicContact CG2-CD1 4.17Å; T42-R229 VanDerWaalsContact CG2-O 3.27Å; T42-R229 WeakPolarHBondContact CG2-O 3.37Å; T42-R229 PolarHBondContact OG1-O 3.26Å
43	R	92.8	Very high	93.3	Very high	40 Å²	40	32.7 Å²	32.7	15%	0.151	18%	0.182	C	C	.	.	H	α-helix	trans	-70.7	-31.8	176.8	-74.3	-168.2	-58.6	-93.6	10.2	113.4	Y33 D34 G36 Y39 F40 Y41 L45 L46 G47 L50	Y33-R43 VanDerWaalsContact O-CD 3.28Å; Y33-R43 WeakPolarHBondContact O-CD 3.1Å; Y33-R43 PolarHBondContact O-NH1 3.02Å; D34-R43 WeakPolarHBondContact O-CD 3.26Å; D34-R43 PolarHBondContact O-NE 3.1Å; D34-R43 PolarHBondContact O-NH1 3.25Å; D34-R43 VanDerWaalsContact O-NH1 3.14Å; D34-R43 PolarHBondContact O-NH2 3.37Å; G36-R43 PolarHBondContact O-NH1 3.04Å; G36-R43 PolarHBondContact O-NH2 3.32Å; Y39-R43 WeakPolarHBondContact O-CG 3.38Å; Y39-R43 PolarHBondContact O-N 3.43Å; F40-R43 PolarHBondContact O-N 3.05Å; Y41-R43 VanDerWaalsContact C-N 3.29Å; Y41-R43 PolarHBondContact O-N 3.36Å; R43-L45 PolarHBondContact O-N 3.43Å; R43-L46 PolarHBondContact O-N 3.05Å; R43-G47 WeakPolarHBondContact O-CA 3.46Å; R43-G47 PolarHBondContact O-N 3.42Å; R43-L50 HydrophobicContact CG-CD2 3.88Å
44	K	90.1	Very high	93.4	Very high	98 Å²	98	35.1 Å²	35.1	43%	0.426	19%	0.191	S	C	.	.	H	α-helix	trans	-61.8	-34	173.7	-69.3	-79	-171.3	168.2	0	111.1	F40 Y41 Y137 L141 E245	F40-K44 HydrophobicContact CE1-CG 4.37Å; F40-K44 VanDerWaalsContact CZ-CE 3.45Å; F40-K44 PolarHBondContact O-N 2.81Å; F40-K44 VanDerWaalsContact O-N 3.15Å; Y41-K44 PolarHBondContact O-N 3Å; K44-Y137 HydrophobicContact CB-CD1 3.8Å; K44-Y137 HydrophobicContact CB-CE1 3.36Å; K44-Y137 HydrophobicContact CD-CE1 4.18Å; K44-Y137 HydrophobicContact CG-CD1 4.29Å; K44-Y137 HydrophobicContact CG-CE1 3.51Å; K44-L141 HydrophobicContact CB-CD1 4.47Å; K44-E245 VanDerWaalsContact CE-OE1 3.25Å; K44-E245 WeakPolarHBondContact CE-OE1 3.08Å; K44-E245 IonicContact NZ-OE1 2.71Å; K44-E245 PolarHBondContact NZ-OE1 3.04Å
45	L	89.8	Confident	93.5	Very high	13 Å²	13	32.7 Å²	32.7	7%	0.068	18%	0.178	C	C	.	.	H	α-helix	trans	-79.9	-42.7	174.3	-172.6	67.3	0	0	0	113.2	Y41 T42 R43 A129 N154	Y41-L45 PolarHBondContact O-N 3.43Å; T42-L45 PolarHBondContact O-N 3.35Å; R43-L45 PolarHBondContact O-N 3.43Å; L45-A129 HydrophobicContact CD1-CB 3.29Å; L45-N154 HydrophobicContact CD2-CB 4.03Å
46	L	91.9	Very high	93.7	Very high	12 Å²	12	27.5 Å²	27.5	6%	0.063	15%	0.151	C	C	.	.	H	α-helix	trans	-109.7	3.1	-166.2	-65.1	-172.2	0	0	0	115.1	T42 R43 A49 L50 N122 W125 C126	T42-L46 HydrophobicContact CG2-CD1 3.91Å; T42-L46 HydrophobicContact CG2-CG 4.47Å; T42-L46 VanDerWaalsContact O-CB 3.27Å; T42-L46 WeakPolarHBondContact O-CB 3Å; T42-L46 PolarHBondContact O-N 2.95Å; R43-L46 PolarHBondContact O-N 3.05Å; L46-A49 WeakPolarHBondContact O-CB 3.5Å; L46-A49 PolarHBondContact O-N 3.17Å; L46-L50 HydrophobicContact CB-CB 3.95Å; L46-L50 HydrophobicContact CD1-CB 4.44Å; L46-L50 HydrophobicContact CD1-CD1 4.17Å; L46-L50 PolarHBondContact O-N 3.03Å; L46-N122 HydrophobicContact CD1-CB 4.48Å; L46-N122 HydrophobicContact CD2-CB 3.94Å; L46-N122 WeakPolarHBondContact CD2-O 3.48Å; L46-W125 VanDerWaalsContact C-CE3 3.45Å; L46-W125 VanDerWaalsContact O-CE3 3.25Å; L46-W125 WeakPolarHBondContact O-CZ3 3.11Å; L46-C126 VanDerWaalsContact CD2-SG 3.52Å
47	G	91.3	Very high	93.8	Very high	31 Å²	31	27.5 Å²	27.5	32%	0.32	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	-145.8	-178	0	0	0	0	0	114.5	R43 A49	R43-G47 WeakPolarHBondContact O-CA 3.46Å; R43-G47 PolarHBondContact O-N 3.42Å; G47-A49 PolarHBondContact O-N 2.95Å
48	S	91.5	Very high	94	Very high	57 Å²	57	23.8 Å²	23.8	40%	0.399	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.6	174.8	57.8	0	0	0	0	113.3	L50 A51 L52	S48-L50 PolarHBondContact O-N 3.36Å; S48-A51 PolarHBondContact O-N 3.33Å; S48-A51 VanDerWaalsContact O-N 3.16Å; S48-L52 PolarHBondContact O-N 3.47Å
49	A	94.9	Very high	94.3	Very high	4 Å²	4	21.1 Å²	21.1	3%	0.033	11%	0.114	C	C	.	.	H	α-helix	trans	-64.3	-24.9	177.5	0	0	0	0	0	112.2	L46 G47 A53 F121 N122 W125	L46-A49 WeakPolarHBondContact O-CB 3.5Å; L46-A49 PolarHBondContact O-N 3.17Å; G47-A49 PolarHBondContact O-N 2.95Å; A49-A53 VanDerWaalsContact O-CB 3.26Å; A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.15Å; A49-F121 HydrophobicContact CB-CB 3.96Å; A49-N122 VanDerWaalsContact C-OD1 3.25Å; A49-N122 VanDerWaalsContact CB-OD1 3.24Å; A49-N122 WeakPolarHBondContact CB-OD1 3.27Å; A49-N122 PolarHBondContact O-ND2 3.47Å; A49-N122 VanDerWaalsContact O-ND2 3.08Å; A49-W125 HydrophobicContact CB-CE3 4.04Å; A49-W125 HydrophobicContact CB-CH2 3.93Å; A49-W125 HydrophobicContact CB-CZ3 3.39Å
50	L	95.3	Very high	94.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-59.9	-57.4	168.9	175.7	63.1	0	0	0	111	Y33 Y39 T42 R43 L46 S48 L52 A53 R54 N122 V228	Y33-L50 HydrophobicContact CD1-CD1 4.3Å; Y33-L50 HydrophobicContact CD1-CD2 4.28Å; Y33-L50 HydrophobicContact CD1-CG 4.22Å; Y39-L50 HydrophobicContact CG-CD2 4.41Å; T42-L50 HydrophobicContact CG2-CD1 4.27Å; T42-L50 HydrophobicContact CG2-CD2 3.72Å; R43-L50 HydrophobicContact CG-CD2 3.88Å; L46-L50 HydrophobicContact CB-CB 3.95Å; L46-L50 HydrophobicContact CD1-CB 4.44Å; L46-L50 HydrophobicContact CD1-CD1 4.17Å; L46-L50 PolarHBondContact O-N 3.03Å; S48-L50 PolarHBondContact O-N 3.36Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.25Å; L50-A53 PolarHBondContact O-N 3.34Å; L50-A53 VanDerWaalsContact O-N 3.13Å; L50-R54 HydrophobicContact CD1-CG 4.12Å; L50-R54 VanDerWaalsContact O-CG 3.29Å; L50-R54 WeakPolarHBondContact O-CG 3.36Å; L50-R54 PolarHBondContact O-N 3.16Å; L50-R54 VanDerWaalsContact O-N 3.08Å; L50-N122 PolarHBondContact N-OD1 2.98Å; L50-V228 HydrophobicContact CD1-CG1 3.86Å
51	A	96.4	Very high	94.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-62.2	-41.3	-178.4	0	0	0	0	0	111.3	Y30 D34 S48 A53 R54 A55	Y30-A51 HydrophobicContact CD1-CB 4.42Å; Y30-A51 HydrophobicContact CD2-CB 3.76Å; Y30-A51 HydrophobicContact CE1-CB 4.42Å; Y30-A51 HydrophobicContact CE2-CB 3.8Å; Y30-A51 HydrophobicContact CG-CB 4.08Å; D34-A51 HydrophobicContact CB-CB 4.09Å; S48-A51 PolarHBondContact O-N 3.33Å; S48-A51 VanDerWaalsContact O-N 3.16Å; A51-A53 VanDerWaalsContact C-N 3.28Å; A51-A53 PolarHBondContact O-N 3.45Å; A51-R54 PolarHBondContact O-N 2.65Å; A51-A55 WeakPolarHBondContact O-CB 3.49Å; A51-A55 PolarHBondContact O-N 2.9Å
52	L	96.4	Very high	94.9	Very high	59 Å²	59	21.7 Å²	21.7	31%	0.309	12%	0.118	S	C	.	.	H	α-helix	trans	-67.2	-21.6	175.8	-72.8	175	0	0	0	114.3	F26 Y30 S48 L50 P56 A118	F26-L52 HydrophobicContact CZ-CD2 4.23Å; Y30-L52 HydrophobicContact CD2-CD2 4.23Å; Y30-L52 HydrophobicContact CE2-CD2 3.79Å; Y30-L52 HydrophobicContact CE2-CG 3.97Å; S48-L52 PolarHBondContact O-N 3.47Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.25Å; L52-P56 WeakPolarHBondContact O-CD 3.45Å; L52-P56 WeakPolarHBondContact O-CG 3.33Å; L52-A118 HydrophobicContact CB-CB 3.9Å
53	A	96.3	Very high	95.1	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-81.6	-37.4	170.9	0	0	0	0	0	111.5	A49 L50 A51 A57 H115 A118 N122	A49-A53 VanDerWaalsContact O-CB 3.26Å; A49-A53 WeakPolarHBondContact O-CB 3.41Å; A49-A53 PolarHBondContact O-N 3.15Å; L50-A53 PolarHBondContact O-N 3.34Å; L50-A53 VanDerWaalsContact O-N 3.13Å; A51-A53 VanDerWaalsContact C-N 3.28Å; A51-A53 PolarHBondContact O-N 3.45Å; A53-A57 WeakPolarHBondContact O-CB 3.44Å; A53-A57 PolarHBondContact O-N 3.23Å; A53-H115 PolarHBondContact O-ND1 3.49Å; A53-A118 HydrophobicContact CB-CB 3.82Å; A53-N122 WeakPolarHBondContact CB-ND2 3.27Å
54	R	96	Very high	95.3	Very high	62 Å²	62	19.7 Å²	19.7	23%	0.234	11%	0.11	C	C	.	.	H	α-helix	trans	-83.7	-36.4	-172.6	-59.2	-50.8	-67.8	168.6	-0.6	114.4	Y33 L50 A51 A57 A58 V228	Y33-R54 HydrophobicContact CD1-CB 4.37Å; Y33-R54 HydrophobicContact CD1-CG 3.85Å; Y33-R54 HydrophobicContact CD2-CB 3.41Å; Y33-R54 VanDerWaalsContact CD2-CB 3.41Å; Y33-R54 HydrophobicContact CD2-CG 3.82Å; Y33-R54 HydrophobicContact CE1-CB 4.36Å; Y33-R54 HydrophobicContact CE1-CG 3.74Å; Y33-R54 HydrophobicContact CE2-CB 3.43Å; Y33-R54 VanDerWaalsContact CE2-CB 3.43Å; Y33-R54 HydrophobicContact CE2-CG 3.75Å; Y33-R54 HydrophobicContact CG-CB 3.92Å; Y33-R54 HydrophobicContact CG-CG 3.89Å; Y33-R54 PolarHBondContact OH-NE 3.03Å; L50-R54 HydrophobicContact CD1-CG 4.12Å; L50-R54 VanDerWaalsContact O-CG 3.29Å; L50-R54 WeakPolarHBondContact O-CG 3.36Å; L50-R54 PolarHBondContact O-N 3.16Å; L50-R54 VanDerWaalsContact O-N 3.08Å; A51-R54 PolarHBondContact O-N 2.65Å; R54-A57 WeakPolarHBondContact O-CB 3.18Å; R54-A57 PolarHBondContact O-N 2.92Å; R54-A58 PolarHBondContact O-N 3.06Å; R54-V228 HydrophobicContact CG-CG1 4.36Å
55	A	97.3	Very high	95.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-62.1	-51.7	177.9	0	0	0	0	0	112.4	F26 A51 A57 A58 C59	F26-A55 HydrophobicContact CD1-CB 4.35Å; F26-A55 HydrophobicContact CD2-CB 3.85Å; F26-A55 HydrophobicContact CE1-CB 4.45Å; F26-A55 HydrophobicContact CE2-CB 3.99Å; F26-A55 HydrophobicContact CG-CB 4.04Å; F26-A55 HydrophobicContact CZ-CB 4.29Å; F26-A55 VanDerWaalsContact O-CB 3.29Å; F26-A55 WeakPolarHBondContact O-CB 3.45Å; A51-A55 WeakPolarHBondContact O-CB 3.49Å; A51-A55 PolarHBondContact O-N 2.9Å; A55-A57 VanDerWaalsContact C-N 3.29Å; A55-A57 PolarHBondContact O-N 2.94Å; A55-A58 PolarHBondContact O-N 2.89Å; A55-C59 PolarHBondContact O-N 3.43Å
56	P	97.8	Very high	95.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-34	172.1	-23.3	33.3	0	0	0	113.7	F26 L52 A58 C59 L60 H111 I114 H115	F26-P56 HydrophobicContact CD2-CG 4.49Å; F26-P56 HydrophobicContact CE2-CG 3.92Å; L52-P56 WeakPolarHBondContact O-CD 3.45Å; L52-P56 WeakPolarHBondContact O-CG 3.33Å; P56-A58 VanDerWaalsContact C-N 3.27Å; P56-A58 PolarHBondContact O-N 2.87Å; P56-C59 CarbonylContact O-C 3.56Å; P56-C59 PolarHBondContact O-N 3Å; P56-L60 WeakPolarHBondContact O-CB 3.4Å; P56-L60 VanDerWaalsContact O-CG 3.27Å; P56-L60 WeakPolarHBondContact O-CG 3.43Å; P56-L60 PolarHBondContact O-N 3.06Å; P56-H111 HydrophobicContact CB-CB 3.97Å; P56-H111 WeakPolarHBondContact CB-O 3.42Å; P56-I114 HydrophobicContact CB-CB 4.5Å; P56-I114 HydrophobicContact CG-CB 3.97Å; P56-I114 HydrophobicContact CG-CG2 3.56Å; P56-H115 HydrophobicContact CB-CB 4.03Å
57	A	96.4	Very high	96.1	Very high	14 Å²	14	18.3 Å²	18.3	12%	0.116	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-37	177.6	0	0	0	0	0	112.2	A53 R54 A55 N61	A53-A57 WeakPolarHBondContact O-CB 3.44Å; A53-A57 PolarHBondContact O-N 3.23Å; R54-A57 WeakPolarHBondContact O-CB 3.18Å; R54-A57 PolarHBondContact O-N 2.92Å; A55-A57 VanDerWaalsContact C-N 3.29Å; A55-A57 PolarHBondContact O-N 2.94Å; A57-N61 PolarHBondContact O-N 3.03Å; A57-N61 PolarHBondContact O-ND2 3.04Å
58	A	96.4	Very high	96.2	Very high	8 Å²	8	17.4 Å²	17.4	7%	0.066	9%	0.094	C	C	.	.	H	α-helix	trans	-67.5	-44.3	173.5	0	0	0	0	0	111.9	Y29 R54 A55 P56 L60 N61 F62	Y29-A58 HydrophobicContact CD1-CB 4.34Å; Y29-A58 HydrophobicContact CD2-CB 3.26Å; Y29-A58 HydrophobicContact CE2-CB 3.53Å; Y29-A58 HydrophobicContact CG-CB 3.71Å; R54-A58 PolarHBondContact O-N 3.06Å; A55-A58 PolarHBondContact O-N 2.89Å; P56-A58 VanDerWaalsContact C-N 3.27Å; P56-A58 PolarHBondContact O-N 2.87Å; A58-L60 VanDerWaalsContact C-N 3.32Å; A58-L60 PolarHBondContact O-N 3.49Å; A58-N61 PolarHBondContact O-N 2.82Å; A58-F62 PolarHBondContact O-N 2.93Å
59	C	98	Very high	96.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-37.1	175	-59	0	0	0	0	112.1	N22 A55 P56 F62 N63 H111	N22-C59 PolarHBondContact O-SG 3.47Å; N22-C59 VanDerWaalsContact O-SG 3.41Å; A55-C59 PolarHBondContact O-N 3.43Å; P56-C59 CarbonylContact O-C 3.56Å; P56-C59 PolarHBondContact O-N 3Å; C59-F62 PolarHBondContact O-N 3.4Å; C59-N63 PolarHBondContact O-N 3.07Å; C59-N63 PolarHBondContact O-ND2 3.38Å; C59-H111 WeakPolarHBondContact CB-CD2 3.32Å; C59-H111 VanDerWaalsContact CB-NE2 3.31Å; C59-H111 WeakPolarHBondContact CB-NE2 3.43Å
60	L	97.3	Very high	96.1	Very high	15 Å²	15	17.6 Å²	17.6	8%	0.079	9%	0.09	C	C	.	.	H	α-helix	trans	-61.6	-47.4	174.3	-77.5	168.5	0	0	0	111.1	P56 A58 F62 N63 C64 I108 H111 T112 H115	P56-L60 WeakPolarHBondContact O-CB 3.4Å; P56-L60 VanDerWaalsContact O-CG 3.27Å; P56-L60 WeakPolarHBondContact O-CG 3.43Å; P56-L60 PolarHBondContact O-N 3.06Å; A58-L60 VanDerWaalsContact C-N 3.32Å; A58-L60 PolarHBondContact O-N 3.49Å; L60-F62 VanDerWaalsContact C-N 3.31Å; L60-F62 PolarHBondContact O-N 2.8Å; L60-N63 PolarHBondContact O-N 3.47Å; L60-C64 VanDerWaalsContact O-CB 3.23Å; L60-C64 WeakPolarHBondContact O-CB 3.4Å; L60-C64 PolarHBondContact O-N 2.87Å; L60-C64 PolarHBondContact O-SG 3.28Å; L60-I108 HydrophobicContact CD2-CB 4.37Å; L60-I108 HydrophobicContact CD2-CG2 3.9Å; L60-I108 WeakPolarHBondContact CD2-O 3.34Å; L60-H111 HydrophobicContact CD1-CB 4.44Å; L60-H111 HydrophobicContact CD2-CB 3.88Å; L60-H111 HydrophobicContact CG-CB 3.77Å; L60-T112 WeakPolarHBondContact CD2-OG1 3.21Å; L60-H115 HydrophobicContact CD1-CB 4.03Å
61	N	96.3	Very high	95.9	Very high	16 Å²	16	19.4 Å²	19.4	9%	0.086	10%	0.101	C	C	.	.	H	α-helix	trans	-57.3	-45.3	175.7	-74.8	-29.5	0	0	0	111.7	A57 A58 M65 T269 W272	A57-N61 PolarHBondContact O-N 3.03Å; A57-N61 PolarHBondContact O-ND2 3.04Å; A58-N61 PolarHBondContact O-N 2.82Å; N61-M65 WeakPolarHBondContact O-CB 3.33Å; N61-M65 PolarHBondContact O-N 3.49Å; N61-T269 PolarHBondContact ND2-OG1 2.92Å; N61-T269 WeakPolarHBondContact OD1-CB 3.07Å; N61-T269 VanDerWaalsContact OD1-CG2 3.24Å; N61-T269 WeakPolarHBondContact OD1-CG2 3.24Å; N61-T269 PolarHBondContact OD1-OG1 3.47Å; N61-W272 HydrophobicContact CB-CB 4.19Å; N61-W272 HydrophobicContact CB-CD2 3.99Å; N61-W272 HydrophobicContact CB-CG 3.71Å
62	F	97.4	Very high	95.6	Very high	21 Å²	21	19.4 Å²	19.4	9%	0.092	10%	0.101	C	C	.	.	H	α-helix	trans	-62	-47.8	177.3	173.7	-117.1	0	0	0	112.5	W18 L21 L25 A58 C59 L60 M65 L66 W272	W18-F62 AromaticContact CD1-CE1 3.66Å; L21-F62 HydrophobicContact CB-CE1 4.11Å; L21-F62 HydrophobicContact CB-CZ 4.04Å; L21-F62 HydrophobicContact CD1-CE2 4.47Å; L21-F62 HydrophobicContact CD1-CZ 3.9Å; L25-F62 HydrophobicContact CD1-CB 3.66Å; L25-F62 HydrophobicContact CD1-CD1 3.99Å; L25-F62 HydrophobicContact CD1-CD2 4.31Å; L25-F62 HydrophobicContact CD1-CG 3.74Å; A58-F62 PolarHBondContact O-N 2.93Å; C59-F62 PolarHBondContact O-N 3.4Å; L60-F62 VanDerWaalsContact C-N 3.31Å; L60-F62 PolarHBondContact O-N 2.8Å; F62-M65 HydrophobicContact CD2-CE 3.81Å; F62-M65 HydrophobicContact CE2-CE 3.99Å; F62-M65 WeakPolarHBondContact O-CB 3.31Å; F62-M65 PolarHBondContact O-N 3.16Å; F62-L66 HydrophobicContact CD1-CD1 4.46Å; F62-L66 HydrophobicContact CD2-CD1 4.42Å; F62-L66 HydrophobicContact CE1-CD1 3.9Å; F62-L66 HydrophobicContact CE2-CD1 3.85Å; F62-L66 HydrophobicContact CE2-CG 4.38Å; F62-L66 HydrophobicContact CZ-CD1 3.57Å; F62-L66 WeakPolarHBondContact O-CG 3.34Å; F62-L66 PolarHBondContact O-N 2.84Å; F62-W272 HydrophobicContact CB-CZ3 4.19Å; F62-W272 HydrophobicContact CD2-CZ3 4.09Å
63	N	98.1	Very high	95.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-72.2	-34.9	-179.1	-71.4	-68	0	0	0	112.7	W18 N22 C59 L60 M65 L66 I67 V104 M107 I108	W18-N63 PolarHBondContact NE1-OD1 3.29Å; N22-N63 PolarHBondContact OD1-ND2 3.23Å; C59-N63 PolarHBondContact O-N 3.07Å; C59-N63 PolarHBondContact O-ND2 3.38Å; L60-N63 PolarHBondContact O-N 3.47Å; N63-M65 VanDerWaalsContact C-N 3.29Å; N63-M65 PolarHBondContact O-N 3.44Å; N63-L66 PolarHBondContact O-N 3.32Å; N63-L66 VanDerWaalsContact O-N 3.09Å; N63-I67 PolarHBondContact O-N 2.94Å; N63-V104 HydrophobicContact CB-CG1 3.81Å; N63-V104 WeakPolarHBondContact O-CG1 3.44Å; N63-M107 WeakPolarHBondContact ND2-CG 3.48Å; N63-I108 HydrophobicContact CB-CD1 4.14Å; N63-I108 HydrophobicContact CB-CG1 3.58Å
64	C	96.6	Very high	94.6	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.014	11%	0.107	C	C	.	.	H	α-helix	trans	-68.4	-28.4	174.5	-66.5	0	0	0	0	112.3	L60 L66 I67 F216 L219 I273	L60-C64 VanDerWaalsContact O-CB 3.23Å; L60-C64 WeakPolarHBondContact O-CB 3.4Å; L60-C64 PolarHBondContact O-N 2.87Å; L60-C64 PolarHBondContact O-SG 3.28Å; C64-L66 VanDerWaalsContact C-N 3.32Å; C64-I67 WeakPolarHBondContact O-CG2 3.49Å; C64-F216 HydrophobicContact CB-CE1 4.37Å; C64-L219 HydrophobicContact CB-CD2 3.86Å; C64-I273 HydrophobicContact CB-CG2 4.41Å
65	M	95.7	Very high	94.1	Very high	48 Å²	48	21.4 Å²	21.4	24%	0.236	11%	0.111	C	C	.	.	H	α-helix	trans	-63.4	-40.4	168.2	176	-172.1	75.4	0	0	111.1	N61 F62 N63 W272 P276	N61-M65 WeakPolarHBondContact O-CB 3.33Å; N61-M65 PolarHBondContact O-N 3.49Å; F62-M65 HydrophobicContact CD2-CE 3.81Å; F62-M65 HydrophobicContact CE2-CE 3.99Å; F62-M65 WeakPolarHBondContact O-CB 3.31Å; F62-M65 PolarHBondContact O-N 3.16Å; N63-M65 VanDerWaalsContact C-N 3.29Å; N63-M65 PolarHBondContact O-N 3.44Å; M65-W272 HydrophobicContact CB-CB 4.32Å; M65-W272 HydrophobicContact CB-CE3 4.39Å; M65-W272 WeakPolarHBondContact CB-O 3.44Å; M65-W272 HydrophobicContact CE-CE3 4.31Å; M65-W272 HydrophobicContact CE-CZ3 4.34Å; M65-W272 VanDerWaalsContact CG-O 3.27Å; M65-W272 WeakPolarHBondContact CG-O 3.29Å; M65-W272 HydrophobicContact SD-CE3 3.75Å; M65-W272 HydrophobicContact SD-CZ3 4.24Å; M65-P276 HydrophobicContact CB-CG 4.29Å; M65-P276 HydrophobicContact CG-CG 3.58Å; M65-P276 WeakPolarHBondContact O-CB 3.47Å; M65-P276 WeakPolarHBondContact O-CG 3.47Å
66	L	95.7	Very high	93.6	Very high	29 Å²	29	22.4 Å²	22.4	15%	0.152	12%	0.116	C	C	.	.	H	α-helix	trans	-80.7	-32.6	-174.9	-65.4	178.3	0	0	0	113.9	F62 N63 C64 L68 L69 P70	F62-L66 HydrophobicContact CD1-CD1 4.46Å; F62-L66 HydrophobicContact CD2-CD1 4.42Å; F62-L66 HydrophobicContact CE1-CD1 3.9Å; F62-L66 HydrophobicContact CE2-CD1 3.85Å; F62-L66 HydrophobicContact CE2-CG 4.38Å; F62-L66 HydrophobicContact CZ-CD1 3.57Å; F62-L66 WeakPolarHBondContact O-CG 3.34Å; F62-L66 PolarHBondContact O-N 2.84Å; N63-L66 PolarHBondContact O-N 3.32Å; N63-L66 VanDerWaalsContact O-N 3.09Å; C64-L66 VanDerWaalsContact C-N 3.32Å; L66-L68 PolarHBondContact O-N 3.36Å; L66-L68 VanDerWaalsContact O-N 3.08Å; L66-L69 HydrophobicContact CD2-CD1 4.21Å; L66-L69 PolarHBondContact O-N 3.19Å; L66-L69 VanDerWaalsContact O-N 3.09Å; L66-P70 WeakPolarHBondContact O-CD 3.29Å
67	I	96.3	Very high	92.8	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.087	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.5	-166.1	-166.4	65.3	0	0	0	115	N63 C64 H101 V104 A105 I108 F216	N63-I67 PolarHBondContact O-N 2.94Å; C64-I67 WeakPolarHBondContact O-CG2 3.49Å; I67-H101 WeakPolarHBondContact CD1-ND1 3.43Å; I67-H101 VanDerWaalsContact CD1-O 3.25Å; I67-H101 WeakPolarHBondContact CD1-O 3.44Å; I67-H101 PolarHBondContact O-ND1 2.8Å; I67-V104 HydrophobicContact CB-CG1 4.08Å; I67-V104 HydrophobicContact CD1-CB 3.85Å; I67-V104 HydrophobicContact CD1-CG1 3.75Å; I67-V104 HydrophobicContact CG1-CG1 4.48Å; I67-A105 HydrophobicContact CD1-CB 4.14Å; I67-I108 HydrophobicContact CB-CD1 4.1Å; I67-I108 HydrophobicContact CD1-CD1 4.39Å; I67-I108 HydrophobicContact CG1-CD1 4.21Å; I67-I108 HydrophobicContact CG2-CD1 4.44Å; I67-F216 HydrophobicContact CG2-CE2 4.31Å; I67-F216 HydrophobicContact CG2-CZ 3.75Å
68	L	94	Very high	92.1	Very high	11 Å²	11	29.9 Å²	29.9	6%	0.058	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-28	180	-64.8	179.5	0	0	0	113.2	L66 V71 C72 F216 P276 M277	L66-L68 PolarHBondContact O-N 3.36Å; L66-L68 VanDerWaalsContact O-N 3.08Å; L68-V71 WeakPolarHBondContact O-CG2 3.48Å; L68-V71 PolarHBondContact O-N 2.97Å; L68-C72 PolarHBondContact O-N 3.23Å; L68-C72 PolarHBondContact O-SG 3.25Å; L68-F216 HydrophobicContact CD1-CE1 4.23Å; L68-F216 HydrophobicContact CD1-CE2 4.07Å; L68-F216 HydrophobicContact CD1-CZ 3.81Å; L68-F216 HydrophobicContact CD2-CE2 3.86Å; L68-F216 HydrophobicContact CD2-CZ 4.16Å; L68-F216 HydrophobicContact CG-CE2 4.02Å; L68-F216 HydrophobicContact CG-CZ 3.79Å; L68-P276 HydrophobicContact CD1-CB 4.5Å; L68-M277 HydrophobicContact CD1-CG 4.02Å
69	L	91.6	Very high	91.4	Very high	54 Å²	54	33 Å²	33	28%	0.283	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-63.4	-43.3	-174.4	-56.6	175.2	0	0	0	113.1	L66 V71 C72 P276 L279	L66-L69 HydrophobicContact CD2-CD1 4.21Å; L66-L69 PolarHBondContact O-N 3.19Å; L66-L69 VanDerWaalsContact O-N 3.09Å; L69-V71 PolarHBondContact O-N 3.41Å; L69-C72 PolarHBondContact O-N 3.46Å; L69-P276 HydrophobicContact CD2-CB 4.41Å; L69-L279 HydrophobicContact CD2-CD1 4.14Å
70	P	91.9	Very high	90.4	Very high	11 Å²	11	33.3 Å²	33.3	7%	0.071	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-71	-8.3	-179.2	-16.3	29.1	0	0	0	114.5	L66 L76 N97 F100 H101	L66-P70 WeakPolarHBondContact O-CD 3.29Å; P70-L76 WeakPolarHBondContact O-CD1 3.25Å; P70-N97 HydrophobicContact CB-CB 3.87Å; P70-N97 VanDerWaalsContact CB-O 3.24Å; P70-N97 WeakPolarHBondContact CB-O 3.45Å; P70-N97 WeakPolarHBondContact O-CB 3.35Å; P70-F100 HydrophobicContact CG-CD1 3.8Å; P70-F100 HydrophobicContact CG-CE1 4.42Å; P70-H101 HydrophobicContact CB-CB 4.11Å; P70-H101 HydrophobicContact CG-CB 4.41Å
71	V	91.3	Very high	89.2	Confident	39 Å²	39	34.9 Å²	34.9	24%	0.236	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-103.2	-5.7	177	-63.5	0	0	0	0	113.1	L68 L69 R73 L98 Y280	L68-V71 WeakPolarHBondContact O-CG2 3.48Å; L68-V71 PolarHBondContact O-N 2.97Å; L69-V71 PolarHBondContact O-N 3.41Å; V71-R73 VanDerWaalsContact C-N 3.31Å; V71-R73 PolarHBondContact O-N 2.73Å; V71-L98 HydrophobicContact CG1-CD2 4.32Å; V71-Y280 HydrophobicContact CG2-CE2 4.43Å
72	C	90.7	Very high	87.7	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.007	21%	0.205	C	C	.	.			trans	-75.2	76.1	174.3	-69.8	0	0	0	0	111.3	L68 L69 N74 L75 L76 E283	L68-C72 PolarHBondContact O-N 3.23Å; L68-C72 PolarHBondContact O-SG 3.25Å; L69-C72 PolarHBondContact O-N 3.46Å; C72-N74 VanDerWaalsContact C-N 3.29Å; C72-N74 PolarHBondContact O-N 3.45Å; C72-L75 HydrophobicContact CB-CB 3.88Å; C72-L75 HydrophobicContact CB-CD2 4.34Å; C72-L75 WeakPolarHBondContact O-CB 3.35Å; C72-L75 PolarHBondContact O-N 3.39Å; C72-L76 WeakPolarHBondContact O-CG 3.4Å; C72-L76 PolarHBondContact O-N 2.82Å; C72-E283 HydrophobicContact CB-CG 4.09Å
73	R	86.2	Confident	85.6	Confident	78 Å²	78	36.9 Å²	36.9	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-55.3	-39.4	-173.4	-63.5	-175.4	-176.4	119.8	7.6	113.8	V71 L76 S77 F326 F391	V71-R73 VanDerWaalsContact C-N 3.31Å; V71-R73 PolarHBondContact O-N 2.73Å; R73-L76 PolarHBondContact O-N 2.82Å; R73-S77 WeakPolarHBondContact O-CB 3.46Å; R73-S77 PolarHBondContact O-N 2.88Å; R73-S77 PolarHBondContact O-OG 3.42Å; R73-F326 VanDerWaalsContact NH1-CE2 3.27Å; R73-F391 HydrophobicContact CB-CD1 3.63Å; R73-F391 HydrophobicContact CB-CE1 3.55Å; R73-F391 HydrophobicContact CB-CZ 4.47Å
74	N	86.1	Confident	83.4	Confident	26 Å²	26	40.2 Å²	40.2	14%	0.139	23%	0.232	C	C	.	.	H	α-helix	trans	-64.2	-42.6	177.8	-68.7	-32.6	0	0	0	112.6	C72 L76 S77 F78 E283 R290 F391	C72-N74 VanDerWaalsContact C-N 3.29Å; C72-N74 PolarHBondContact O-N 3.45Å; N74-L76 VanDerWaalsContact C-N 3.32Å; N74-S77 PolarHBondContact O-N 3.16Å; N74-F78 VanDerWaalsContact O-CB 3.29Å; N74-F78 WeakPolarHBondContact O-CB 3.43Å; N74-F78 PolarHBondContact O-N 3.41Å; N74-E283 HydrophobicContact CB-CG 4.25Å; N74-R290 PolarHBondContact ND2-NH2 2.91Å; N74-R290 PolarHBondContact OD1-NH1 3.23Å; N74-R290 PolarHBondContact OD1-NH2 3.49Å; N74-F391 WeakPolarHBondContact OD1-CE1 3.5Å
75	L	86.1	Confident	80.8	Confident	59 Å²	59	46 Å²	46	31%	0.309	27%	0.272	S	S	.	.	H	α-helix	trans	-63.3	-43.4	175.6	177.7	62	0	0	0	110.1	C72 F78 L79	C72-L75 HydrophobicContact CB-CB 3.88Å; C72-L75 HydrophobicContact CB-CD2 4.34Å; C72-L75 WeakPolarHBondContact O-CB 3.35Å; C72-L75 PolarHBondContact O-N 3.39Å; L75-F78 PolarHBondContact O-N 3.3Å; L75-L79 HydrophobicContact CD1-CD1 4.18Å; L75-L79 HydrophobicContact CD1-CG 4.23Å; L75-L79 HydrophobicContact CG-CD1 4.03Å; L75-L79 HydrophobicContact CG-CG 4.48Å; L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 VanDerWaalsContact O-CG 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.29Å; L75-L79 PolarHBondContact O-N 2.86Å
76	L	86.2	Confident	78.8	Confident	22 Å²	22	46.8 Å²	46.8	12%	0.115	28%	0.281	C	S	.	.	H	α-helix	trans	-65.6	-42.4	178.9	-64.6	163.6	0	0	0	111.9	P70 C72 R73 N74 L79 R80 L94 N97	P70-L76 WeakPolarHBondContact O-CD1 3.25Å; C72-L76 WeakPolarHBondContact O-CG 3.4Å; C72-L76 PolarHBondContact O-N 2.82Å; R73-L76 PolarHBondContact O-N 2.82Å; N74-L76 VanDerWaalsContact C-N 3.32Å; L76-L79 PolarHBondContact O-N 3.48Å; L76-R80 WeakPolarHBondContact O-CB 3.27Å; L76-R80 PolarHBondContact O-N 2.91Å; L76-L94 HydrophobicContact CD2-CD2 4.17Å; L76-N97 HydrophobicContact CD1-CB 3.94Å; L76-N97 HydrophobicContact CD2-CB 4.45Å
77	S	80.3	Confident	77.5	Confident	35 Å²	35	48 Å²	48	25%	0.245	29%	0.292	C	S	.	.	H	α-helix	trans	-65.3	-39.3	174.1	-60.5	0	0	0	0	111.9	R73 N74 R80 G81	R73-S77 WeakPolarHBondContact O-CB 3.46Å; R73-S77 PolarHBondContact O-N 2.88Å; R73-S77 PolarHBondContact O-OG 3.42Å; N74-S77 PolarHBondContact O-N 3.16Å; S77-R80 PolarHBondContact O-N 3.22Å; S77-G81 PolarHBondContact O-N 3.28Å
78	F	82.6	Confident	76.2	Confident	135 Å²	135	49.5 Å²	49.5	59%	0.592	30%	0.301	S	S	*	.	H	α-helix	trans	-64.1	-44.5	174.3	174.2	-100.2	0	0	0	112.2	N74 L75 G81 S82	N74-F78 VanDerWaalsContact O-CB 3.29Å; N74-F78 WeakPolarHBondContact O-CB 3.43Å; N74-F78 PolarHBondContact O-N 3.41Å; L75-F78 PolarHBondContact O-N 3.3Å; F78-G81 PolarHBondContact O-N 2.78Å; F78-S82 WeakPolarHBondContact CZ-OG 3.26Å; F78-S82 VanDerWaalsContact O-CB 3.3Å; F78-S82 WeakPolarHBondContact O-CB 3.49Å; F78-S82 PolarHBondContact O-N 3.41Å; F78-S82 PolarHBondContact O-OG 2.93Å
79	L	81.7	Confident	75.3	Confident	73 Å²	73	55.6 Å²	55.6	38%	0.382	32%	0.324	S	S	.	.	H	α-helix	trans	-65.4	-39	175.9	-70.5	172.6	0	0	0	111.4	L75 L76 S83 L94	L75-L79 HydrophobicContact CD1-CD1 4.18Å; L75-L79 HydrophobicContact CD1-CG 4.23Å; L75-L79 HydrophobicContact CG-CD1 4.03Å; L75-L79 HydrophobicContact CG-CG 4.48Å; L75-L79 WeakPolarHBondContact O-CB 3.48Å; L75-L79 VanDerWaalsContact O-CG 3.24Å; L75-L79 WeakPolarHBondContact O-CG 3.29Å; L75-L79 PolarHBondContact O-N 2.86Å; L76-L79 PolarHBondContact O-N 3.48Å; L79-S83 WeakPolarHBondContact O-CB 3.04Å; L79-S83 PolarHBondContact O-N 3.2Å; L79-S83 PolarHBondContact O-OG 3.48Å; L79-L94 HydrophobicContact CB-CD1 3.98Å
80	R	77.4	Confident	74.7	Confident	8 Å²	8	56.5 Å²	56.5	3%	0.03	33%	0.328	C	S	.	.	H	α-helix	trans	-61.4	-43.5	173.4	-175.1	-178.6	173.6	86.8	20.7	112.2	L76 S77 S83 R91 L94 D95 T393 E396 D397	L76-R80 WeakPolarHBondContact O-CB 3.27Å; L76-R80 PolarHBondContact O-N 2.91Å; S77-R80 PolarHBondContact O-N 3.22Å; R80-S83 WeakPolarHBondContact CA-OG 3.48Å; R80-S83 PolarHBondContact O-OG 3.16Å; R80-R91 HydrophobicContact CG-CG 4.26Å; R80-L94 HydrophobicContact CB-CD1 4.37Å; R80-D95 IonicContact CZ-OD1 4Å; R80-D95 IonicContact CZ-OD2 3.32Å; R80-D95 IonicContact NH1-OD1 3.53Å; R80-D95 PolarHBondContact NH1-OD1 3.36Å; R80-D95 IonicContact NH1-OD2 2.71Å; R80-D95 PolarHBondContact NH1-OD2 2.89Å; R80-T393 PolarHBondContact NH2-O 3.01Å; R80-E396 IonicContact CZ-OE2 2.62Å; R80-E396 IonicContact NE-OE1 3.28Å; R80-E396 IonicContact NE-OE2 3.6Å; R80-E396 PolarHBondContact NE-OE2 3.21Å; R80-E396 IonicContact NH2-OE2 3.38Å; R80-D397 IonicContact CZ-OD2 2.63Å; R80-D397 IonicContact NH2-OD1 3.5Å; R80-D397 IonicContact NH2-OD2 3.64Å; R80-D397 PolarHBondContact NH2-OD2 3.15Å
81	G	70.2	Confident	74	Confident	48 Å²	48	58.3 Å²	58.3	50%	0.495	33%	0.334	S	S	.	.	H	α-helix	trans	-70.4	-45.1	176	0	0	0	0	0	113.3	S77 F78 S83 A84	S77-G81 PolarHBondContact O-N 3.28Å; F78-G81 PolarHBondContact O-N 2.78Å; G81-S83 VanDerWaalsContact C-N 3.28Å; G81-S83 PolarHBondContact O-N 2.98Å; G81-A84 WeakPolarHBondContact O-CB 3.31Å; G81-A84 PolarHBondContact O-N 3.32Å
82	S	66.4	Low	73.4	Confident	66 Å²	66	57.9 Å²	57.9	46%	0.462	33%	0.328	S	S	.	.	H	α-helix	trans	-66.3	-31.8	179	-56.5	0	0	0	0	112.2	F78 A84	F78-S82 WeakPolarHBondContact CZ-OG 3.26Å; F78-S82 VanDerWaalsContact O-CB 3.3Å; F78-S82 WeakPolarHBondContact O-CB 3.49Å; F78-S82 PolarHBondContact O-N 3.41Å; F78-S82 PolarHBondContact O-OG 2.93Å; S82-A84 PolarHBondContact O-N 3.42Å; S82-A84 VanDerWaalsContact O-N 3.15Å
83	S	53.6	Low	73	Confident	12 Å²	12	59.5 Å²	59.5	8%	0.084	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-74.5	14.9	170.9	61.3	0	0	0	0	113.7	L79 R80 G81 C85 C86	L79-S83 WeakPolarHBondContact O-CB 3.04Å; L79-S83 PolarHBondContact O-N 3.2Å; L79-S83 PolarHBondContact O-OG 3.48Å; R80-S83 WeakPolarHBondContact CA-OG 3.48Å; R80-S83 PolarHBondContact O-OG 3.16Å; G81-S83 VanDerWaalsContact C-N 3.28Å; G81-S83 PolarHBondContact O-N 2.98Å; S83-C85 PolarHBondContact O-N 3.48Å; S83-C86 CarbonylContact O-C 3.55Å; S83-C86 WeakPolarHBondContact O-CA 3.43Å; S83-C86 PolarHBondContact O-N 2.99Å
84	A	50.3	Low	72.9	Confident	71 Å²	71	57.5 Å²	57.5	59%	0.587	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-56.2	-21.9	160.3	0	0	0	0	0	113.6	G81 S82 C86	G81-A84 WeakPolarHBondContact O-CB 3.31Å; G81-A84 PolarHBondContact O-N 3.32Å; S82-A84 PolarHBondContact O-N 3.42Å; S82-A84 VanDerWaalsContact O-N 3.15Å; A84-C86 VanDerWaalsContact C-N 3.34Å
85	C	42.3	Very low	72.6	Confident	124 Å²	124	57.8 Å²	57.8	84%	0.838	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-78.6	-11.7	168.5	-166.6	0	0	0	0	114	S83	S83-C85 PolarHBondContact O-N 3.48Å
86	C	53.8	Low	72.5	Confident	63 Å²	63	57.7 Å²	57.7	43%	0.426	33%	0.327	S	S	.	.	S	Bend	trans	-117.9	155.4	-173.9	-58.8	0	0	0	0	113.2	S83 A84 I90	S83-C86 CarbonylContact O-C 3.55Å; S83-C86 WeakPolarHBondContact O-CA 3.43Å; S83-C86 PolarHBondContact O-N 2.99Å; A84-C86 VanDerWaalsContact C-N 3.34Å; C86-I90 HydrophobicContact CB-CD1 3.87Å
87	S	68.1	Low	72.6	Confident	55 Å²	55	58.3 Å²	58.3	39%	0.385	33%	0.331	S	S	.	.			trans	-54.2	143.8	-174.4	179.1	0	0	0	0	113.7	R89 I90	S87-R89 PolarHBondContact O-N 3.29Å; S87-I90 PolarHBondContact O-N 2.92Å
88	T	70.4	Confident	73	Confident	48 Å²	48	60 Å²	60	29%	0.294	34%	0.337	S	S	.	.	H	α-helix	trans	-44.1	-26.4	170.1	48.5	0	0	0	0	114.3	I90 R91 R92	T88-I90 VanDerWaalsContact C-N 3.35Å; T88-I90 PolarHBondContact O-N 2.66Å; T88-R91 PolarHBondContact O-N 2.71Å; T88-R92 PolarHBondContact O-N 3Å; T88-R92 VanDerWaalsContact O-N 3.15Å
89	R	75.2	Confident	73.3	Confident	139 Å²	139	57.4 Å²	57.4	53%	0.525	33%	0.332	S	S	.	.	H	α-helix	trans	-59.7	-38.2	173.7	-72.5	-175	-86.5	-164.4	-3.5	113.7	L10 S87 Q93	L10-R89 HydrophobicContact CD2-CB 4.38Å; S87-R89 PolarHBondContact O-N 3.29Å; R89-Q93 PolarHBondContact O-N 2.71Å
90	I	77.4	Confident	73.9	Confident	74 Å²	74	55.7 Å²	55.7	38%	0.379	32%	0.322	S	S	.	.	H	α-helix	trans	-73.3	-41.8	-179.4	-59.7	-170.9	0	0	0	110.6	L10 C86 S87 T88 R92 Q93 L94	L10-I90 HydrophobicContact CD2-CG1 4.37Å; C86-I90 HydrophobicContact CB-CD1 3.87Å; S87-I90 PolarHBondContact O-N 2.92Å; T88-I90 VanDerWaalsContact C-N 3.35Å; T88-I90 PolarHBondContact O-N 2.66Å; I90-R92 VanDerWaalsContact C-N 3.34Å; I90-R92 PolarHBondContact O-N 3.43Å; I90-Q93 WeakPolarHBondContact O-CB 3.35Å; I90-Q93 PolarHBondContact O-N 2.96Å; I90-L94 PolarHBondContact O-N 3.4Å
91	R	78.1	Confident	74.7	Confident	49 Å²	49	56.7 Å²	56.7	19%	0.185	33%	0.326	C	S	.	.	H	α-helix	trans	-57.4	-47.4	175.3	-66.9	-179.8	177.3	174.4	-6.7	111.6	R80 T88 Q93 L94 D95 D397	R80-R91 HydrophobicContact CG-CG 4.26Å; T88-R91 PolarHBondContact O-N 2.71Å; R91-Q93 PolarHBondContact O-N 2.87Å; R91-L94 WeakPolarHBondContact O-CA 3.3Å; R91-L94 WeakPolarHBondContact O-CB 3.42Å; R91-L94 PolarHBondContact O-N 3.01Å; R91-D95 PolarHBondContact O-N 3.12Å; R91-D397 WeakPolarHBondContact CD-OD1 3.35Å; R91-D397 IonicContact CZ-OD1 3.74Å; R91-D397 IonicContact NE-OD1 3.44Å; R91-D397 IonicContact NH1-OD1 2.66Å; R91-D397 PolarHBondContact NH1-OD1 3.11Å
92	R	78.1	Confident	75.9	Confident	29 Å²	29	59.6 Å²	59.6	11%	0.109	33%	0.325	C	S	.	.	H	α-helix	trans	-59.2	-33.6	175.4	-171.2	175.8	64.7	-174.3	-5.4	113	V6 N7 T88 I90 D95	V6-R92 PolarHBondContact O-NH2 2.99Å; N7-R92 PolarHBondContact O-NH2 3.22Å; N7-R92 PolarHBondContact OD1-NH1 3.44Å; T88-R92 PolarHBondContact O-N 3Å; T88-R92 VanDerWaalsContact O-N 3.15Å; I90-R92 VanDerWaalsContact C-N 3.34Å; I90-R92 PolarHBondContact O-N 3.43Å; R92-D95 PolarHBondContact O-N 3.21Å
93	Q	83.3	Confident	77.3	Confident	35 Å²	35	59.2 Å²	59.2	16%	0.164	32%	0.317	C	S	.	.	H	α-helix	trans	-68.2	-39.9	174.8	-174.7	59.7	16.4	0	0	111.8	L10 S11 V14 R89 I90 R91 D95 R96	L10-Q93 HydrophobicContact CD2-CB 4.05Å; L10-Q93 HydrophobicContact CD2-CG 4.5Å; S11-Q93 PolarHBondContact OG-OE1 3.45Å; V14-Q93 HydrophobicContact CG2-CG 4.42Å; R89-Q93 PolarHBondContact O-N 2.71Å; I90-Q93 WeakPolarHBondContact O-CB 3.35Å; I90-Q93 PolarHBondContact O-N 2.96Å; R91-Q93 PolarHBondContact O-N 2.87Å; Q93-D95 VanDerWaalsContact C-N 3.27Å; Q93-D95 PolarHBondContact O-N 2.9Å; Q93-R96 PolarHBondContact O-N 2.99Å
94	L	82.7	Confident	79.4	Confident	36 Å²	36	58.6 Å²	58.6	19%	0.188	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-32.6	174.9	-64.5	174.9	0	0	0	111.9	L76 L79 R80 I90 R91 R96 N97	L76-L94 HydrophobicContact CD2-CD2 4.17Å; L79-L94 HydrophobicContact CB-CD1 3.98Å; R80-L94 HydrophobicContact CB-CD1 4.37Å; I90-L94 PolarHBondContact O-N 3.4Å; R91-L94 WeakPolarHBondContact O-CA 3.3Å; R91-L94 WeakPolarHBondContact O-CB 3.42Å; R91-L94 PolarHBondContact O-N 3.01Å; L94-R96 PolarHBondContact O-N 3.42Å; L94-N97 WeakPolarHBondContact O-CB 3.31Å; L94-N97 VanDerWaalsContact O-CG 3.29Å; L94-N97 PolarHBondContact O-N 2.87Å; L94-N97 PolarHBondContact O-ND2 3.01Å
95	D	80.8	Confident	81.6	Confident	32 Å²	32	56.7 Å²	56.7	17%	0.171	30%	0.297	C	S	.	.	H	α-helix	trans	-68.6	-21.1	177.7	-63	-27.7	0	0	0	113.4	R80 R91 R92 Q93 N97	R80-D95 IonicContact CZ-OD1 4Å; R80-D95 IonicContact CZ-OD2 3.32Å; R80-D95 IonicContact NH1-OD1 3.53Å; R80-D95 PolarHBondContact NH1-OD1 3.36Å; R80-D95 IonicContact NH1-OD2 2.71Å; R80-D95 PolarHBondContact NH1-OD2 2.89Å; R91-D95 PolarHBondContact O-N 3.12Å; R92-D95 PolarHBondContact O-N 3.21Å; Q93-D95 VanDerWaalsContact C-N 3.27Å; Q93-D95 PolarHBondContact O-N 2.9Å; D95-N97 PolarHBondContact O-N 2.85Å
96	R	83.5	Confident	84.2	Confident	57 Å²	57	58.8 Å²	58.8	22%	0.215	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	12.7	176.2	-65.7	175.9	176.4	-155.7	-3.8	113.5	E8 S11 Q93 L94 L98 T99 F100	E8-R96 VanDerWaalsContact CD-NH2 3.34Å; E8-R96 IonicContact OE1-CZ 3.1Å; E8-R96 IonicContact OE1-NH1 2.79Å; E8-R96 IonicContact OE1-NH2 3.58Å; E8-R96 PolarHBondContact OE1-NH2 2.86Å; E8-R96 IonicContact OE2-CZ 3.8Å; E8-R96 IonicContact OE2-NH1 3.53Å; E8-R96 PolarHBondContact OE2-NH1 2.87Å; E8-R96 IonicContact OE2-NH2 3.96Å; E8-R96 PolarHBondContact OE2-NH2 3.2Å; S11-R96 PolarHBondContact OG-NH1 3.35Å; Q93-R96 PolarHBondContact O-N 2.99Å; L94-R96 PolarHBondContact O-N 3.42Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-L98 PolarHBondContact O-N 3.28Å; R96-T99 WeakPolarHBondContact O-CB 3.4Å; R96-T99 PolarHBondContact O-N 2.83Å; R96-T99 VanDerWaalsContact O-N 3.1Å; R96-F100 PolarHBondContact O-N 3.46Å
97	N	88.5	Confident	86.3	Confident	36 Å²	36	57.2 Å²	57.2	19%	0.193	27%	0.274	C	S	.	.	H	α-helix	trans	-51.3	-45.3	-177.8	58.5	49.3	0	0	0	113.5	P70 L76 L94 D95 T99 F100 H101	P70-N97 HydrophobicContact CB-CB 3.87Å; P70-N97 VanDerWaalsContact CB-O 3.24Å; P70-N97 WeakPolarHBondContact CB-O 3.45Å; P70-N97 WeakPolarHBondContact O-CB 3.35Å; L76-N97 HydrophobicContact CD1-CB 3.94Å; L76-N97 HydrophobicContact CD2-CB 4.45Å; L94-N97 WeakPolarHBondContact O-CB 3.31Å; L94-N97 VanDerWaalsContact O-CG 3.29Å; L94-N97 PolarHBondContact O-N 2.87Å; L94-N97 PolarHBondContact O-ND2 3.01Å; D95-N97 PolarHBondContact O-N 2.85Å; N97-T99 PolarHBondContact O-N 3.35Å; N97-F100 PolarHBondContact O-N 3.37Å; N97-H101 PolarHBondContact O-N 2.85Å
98	L	89	Confident	87.7	Confident	71 Å²	71	54.9 Å²	54.9	37%	0.372	26%	0.258	S	S	.	.	H	α-helix	trans	-71	-32	-178.4	-67.6	-174.1	0	0	0	112.1	V71 R96 K102	V71-L98 HydrophobicContact CG1-CD2 4.32Å; R96-L98 VanDerWaalsContact C-N 3.34Å; R96-L98 PolarHBondContact O-N 3.28Å; L98-K102 VanDerWaalsContact O-CG 3.32Å; L98-K102 WeakPolarHBondContact O-CG 3.4Å; L98-K102 PolarHBondContact O-N 3.19Å; L98-K102 VanDerWaalsContact O-N 3.11Å
99	T	89.5	Confident	89	Confident	79 Å²	79	53.7 Å²	53.7	49%	0.485	25%	0.252	S	S	.	.	H	α-helix	trans	-66.3	-43.5	172.9	-56.5	0	0	0	0	109.9	R96 N97 K102 M103	R96-T99 WeakPolarHBondContact O-CB 3.4Å; R96-T99 PolarHBondContact O-N 2.83Å; R96-T99 VanDerWaalsContact O-N 3.1Å; N97-T99 PolarHBondContact O-N 3.35Å; T99-K102 PolarHBondContact O-N 2.9Å; T99-M103 HydrophobicContact CG2-CE 4.39Å; T99-M103 PolarHBondContact O-N 3.45Å; T99-M103 VanDerWaalsContact O-N 3.11Å
100	F	93	Very high	90.1	Very high	38 Å²	38	51.6 Å²	51.6	17%	0.167	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-44.1	174.5	-173.4	-110.7	0	0	0	112.4	W18 P70 R96 N97 K102 M103 V104	W18-F100 HydrophobicContact CB-CE2 4.28Å; W18-F100 HydrophobicContact CB-CZ 4.49Å; W18-F100 HydrophobicContact CD2-CE2 4.04Å; W18-F100 HydrophobicContact CD2-CZ 4.44Å; W18-F100 HydrophobicContact CE3-CE2 4.4Å; W18-F100 AromaticContact CG-CE2 3.97Å; W18-F100 HydrophobicContact CG-CE2 3.97Å; W18-F100 HydrophobicContact CG-CZ 4.07Å; P70-F100 HydrophobicContact CG-CD1 3.8Å; P70-F100 HydrophobicContact CG-CE1 4.42Å; R96-F100 PolarHBondContact O-N 3.46Å; N97-F100 PolarHBondContact O-N 3.37Å; F100-K102 VanDerWaalsContact C-N 3.31Å; F100-K102 PolarHBondContact O-N 3.23Å; F100-M103 HydrophobicContact CB-CE 4.29Å; F100-M103 HydrophobicContact CD2-CE 3.93Å; F100-M103 PolarHBondContact O-N 3.19Å; F100-M103 VanDerWaalsContact O-N 3.12Å; F100-V104 HydrophobicContact CD1-CG2 4.14Å; F100-V104 HydrophobicContact CD2-CG2 4.46Å; F100-V104 HydrophobicContact CE1-CG2 3.75Å; F100-V104 HydrophobicContact CE2-CG2 4.09Å; F100-V104 HydrophobicContact CG-CG2 4.48Å; F100-V104 HydrophobicContact CZ-CG2 3.72Å; F100-V104 WeakPolarHBondContact O-CG2 3.37Å; F100-V104 PolarHBondContact O-N 3.27Å
101	H	95	Very high	91.1	Very high	29 Å²	29	48.7 Å²	48.7	13%	0.134	24%	0.236	C	C	.	.	H	α-helix	trans	-53.5	-45.7	173.6	175.8	89.2	0	0	0	112.3	I67 P70 N97 V104 A105	I67-H101 WeakPolarHBondContact CD1-ND1 3.43Å; I67-H101 VanDerWaalsContact CD1-O 3.25Å; I67-H101 WeakPolarHBondContact CD1-O 3.44Å; I67-H101 PolarHBondContact O-ND1 2.8Å; P70-H101 HydrophobicContact CB-CB 4.11Å; P70-H101 HydrophobicContact CG-CB 4.41Å; N97-H101 PolarHBondContact O-N 2.85Å; H101-V104 PolarHBondContact O-N 2.83Å; H101-A105 WeakPolarHBondContact O-CB 3.42Å; H101-A105 PolarHBondContact O-N 2.94Å
102	K	94.8	Very high	92	Very high	108 Å²	108	47.1 Å²	47.1	47%	0.47	23%	0.232	S	C	.	.	H	α-helix	trans	-63.7	-40.7	177.4	-69.2	167.5	-171.9	169.8	0	112.5	L98 T99 F100 A105 W106	L98-K102 VanDerWaalsContact O-CG 3.32Å; L98-K102 WeakPolarHBondContact O-CG 3.4Å; L98-K102 PolarHBondContact O-N 3.19Å; L98-K102 VanDerWaalsContact O-N 3.11Å; T99-K102 PolarHBondContact O-N 2.9Å; F100-K102 VanDerWaalsContact C-N 3.31Å; F100-K102 PolarHBondContact O-N 3.23Å; K102-A105 PolarHBondContact O-N 3.47Å; K102-W106 PolarHBondContact O-N 2.69Å; K102-W106 VanDerWaalsContact O-N 3.09Å
103	M	95.2	Very high	92.9	Very high	58 Å²	58	48 Å²	48	29%	0.286	25%	0.245	S	C	.	.	H	α-helix	trans	-64.2	-43.7	176.6	-69.6	-174.5	-66.5	0	0	111.7	I15 W18 T99 F100 A105 W106 M107	I15-M103 HydrophobicContact CD1-CE 3.78Å; I15-M103 HydrophobicContact CD1-SD 4.11Å; I15-M103 HydrophobicContact CG1-CE 3.84Å; I15-M103 HydrophobicContact CG1-SD 4.4Å; W18-M103 HydrophobicContact CH2-CB 4.23Å; W18-M103 HydrophobicContact CZ3-CB 4.35Å; T99-M103 HydrophobicContact CG2-CE 4.39Å; T99-M103 PolarHBondContact O-N 3.45Å; T99-M103 VanDerWaalsContact O-N 3.11Å; F100-M103 HydrophobicContact CB-CE 4.29Å; F100-M103 HydrophobicContact CD2-CE 3.93Å; F100-M103 PolarHBondContact O-N 3.19Å; F100-M103 VanDerWaalsContact O-N 3.12Å; M103-A105 VanDerWaalsContact C-N 3.33Å; M103-A105 PolarHBondContact O-N 3.43Å; M103-W106 PolarHBondContact O-N 2.8Å; M103-M107 PolarHBondContact O-N 3.02Å
104	V	97.5	Very high	93.6	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.3	-40.9	175.2	177.7	0	0	0	0	110.8	W18 N63 I67 F100 H101 W106 M107 I108	W18-V104 HydrophobicContact CZ2-CG2 4.05Å; N63-V104 HydrophobicContact CB-CG1 3.81Å; N63-V104 WeakPolarHBondContact O-CG1 3.44Å; I67-V104 HydrophobicContact CB-CG1 4.08Å; I67-V104 HydrophobicContact CD1-CB 3.85Å; I67-V104 HydrophobicContact CD1-CG1 3.75Å; I67-V104 HydrophobicContact CG1-CG1 4.48Å; F100-V104 HydrophobicContact CD1-CG2 4.14Å; F100-V104 HydrophobicContact CD2-CG2 4.46Å; F100-V104 HydrophobicContact CE1-CG2 3.75Å; F100-V104 HydrophobicContact CE2-CG2 4.09Å; F100-V104 HydrophobicContact CG-CG2 4.48Å; F100-V104 HydrophobicContact CZ-CG2 3.72Å; F100-V104 WeakPolarHBondContact O-CG2 3.37Å; F100-V104 PolarHBondContact O-N 3.27Å; H101-V104 PolarHBondContact O-N 2.83Å; V104-W106 PolarHBondContact O-N 3.44Å; V104-M107 WeakPolarHBondContact O-CB 3.25Å; V104-M107 PolarHBondContact O-N 2.94Å; V104-I108 HydrophobicContact CG1-CD1 4.13Å; V104-I108 WeakPolarHBondContact O-CG1 3.47Å; V104-I108 PolarHBondContact O-N 3.1Å
105	A	97.2	Very high	94.3	Very high	31 Å²	31	48.3 Å²	48.3	26%	0.256	25%	0.247	S	C	.	.	H	α-helix	trans	-60.9	-42.5	176.7	0	0	0	0	0	112.7	I67 H101 K102 M103 M107 I108 A109	I67-A105 HydrophobicContact CD1-CB 4.14Å; H101-A105 WeakPolarHBondContact O-CB 3.42Å; H101-A105 PolarHBondContact O-N 2.94Å; K102-A105 PolarHBondContact O-N 3.47Å; M103-A105 VanDerWaalsContact C-N 3.33Å; M103-A105 PolarHBondContact O-N 3.43Å; A105-M107 VanDerWaalsContact C-N 3.35Å; A105-I108 PolarHBondContact O-N 2.74Å; A105-A109 PolarHBondContact O-N 3.09Å
106	W	96.9	Very high	95.1	Very high	168 Å²	168	48.9 Å²	48.9	64%	0.636	25%	0.252	S	S	*	.	H	α-helix	trans	-65.1	-37	174.4	-77.1	118.1	0	0	0	112.8	K102 M103 V104 A109 L110 I190	K102-W106 PolarHBondContact O-N 2.69Å; K102-W106 VanDerWaalsContact O-N 3.09Å; M103-W106 PolarHBondContact O-N 2.8Å; V104-W106 PolarHBondContact O-N 3.44Å; W106-A109 HydrophobicContact CE3-CB 4.42Å; W106-A109 WeakPolarHBondContact O-CB 3.37Å; W106-A109 PolarHBondContact O-N 3.4Å; W106-L110 PolarHBondContact O-N 3.28Å; W106-I190 HydrophobicContact CH2-CG2 4.41Å; W106-I190 HydrophobicContact CZ3-CG2 4.38Å
107	M	97.8	Very high	95.7	Very high	29 Å²	29	50.6 Å²	50.6	14%	0.143	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-39.2	174.4	-171.5	61.2	75.9	0	0	112	W18 L19 N63 M103 V104 A105 L110 H111	W18-M107 HydrophobicContact CH2-CB 3.88Å; W18-M107 HydrophobicContact CH2-CE 3.81Å; W18-M107 HydrophobicContact CH2-CG 4.29Å; W18-M107 HydrophobicContact CZ2-CB 3.63Å; W18-M107 HydrophobicContact CZ2-CE 4.16Å; W18-M107 HydrophobicContact CZ2-CG 3.87Å; W18-M107 HydrophobicContact CZ3-CE 4.43Å; L19-M107 HydrophobicContact CD2-CE 3.7Å; N63-M107 WeakPolarHBondContact ND2-CG 3.48Å; M103-M107 PolarHBondContact O-N 3.02Å; V104-M107 WeakPolarHBondContact O-CB 3.25Å; V104-M107 PolarHBondContact O-N 2.94Å; A105-M107 VanDerWaalsContact C-N 3.35Å; M107-L110 PolarHBondContact O-N 3.38Å; M107-L110 HydrophobicContact SD-CD2 4.22Å; M107-H111 PolarHBondContact O-CD2 3.17Å; M107-H111 PolarHBondContact O-N 3.25Å
108	I	98.1	Very high	96.1	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.036	26%	0.257	C	S	.	.	H	α-helix	trans	-60.4	-46.8	172	-68.7	168	0	0	0	109.8	L60 N63 I67 V104 A105 L110 H111 T112 L186	L60-I108 HydrophobicContact CD2-CB 4.37Å; L60-I108 HydrophobicContact CD2-CG2 3.9Å; L60-I108 WeakPolarHBondContact CD2-O 3.34Å; N63-I108 HydrophobicContact CB-CD1 4.14Å; N63-I108 HydrophobicContact CB-CG1 3.58Å; I67-I108 HydrophobicContact CB-CD1 4.1Å; I67-I108 HydrophobicContact CD1-CD1 4.39Å; I67-I108 HydrophobicContact CG1-CD1 4.21Å; I67-I108 HydrophobicContact CG2-CD1 4.44Å; V104-I108 HydrophobicContact CG1-CD1 4.13Å; V104-I108 WeakPolarHBondContact O-CG1 3.47Å; V104-I108 PolarHBondContact O-N 3.1Å; A105-I108 PolarHBondContact O-N 2.74Å; I108-L110 PolarHBondContact O-N 2.94Å; I108-H111 PolarHBondContact O-N 3.05Å; I108-T112 WeakPolarHBondContact O-CB 3.47Å; I108-T112 PolarHBondContact O-N 3.35Å; I108-T112 PolarHBondContact O-OG1 2.97Å; I108-L186 HydrophobicContact CG2-CD1 4.15Å; I108-L186 HydrophobicContact CG2-CD2 4.06Å
109	A	97.8	Very high	96.4	Very high	22 Å²	22	47.3 Å²	47.3	18%	0.182	25%	0.247	C	C	.	.	H	α-helix	trans	-57.6	-47.9	178.3	0	0	0	0	0	112.3	A105 W106 T112 A113 I190	A105-A109 PolarHBondContact O-N 3.09Å; W106-A109 HydrophobicContact CE3-CB 4.42Å; W106-A109 WeakPolarHBondContact O-CB 3.37Å; W106-A109 PolarHBondContact O-N 3.4Å; A109-T112 PolarHBondContact O-N 3.38Å; A109-A113 PolarHBondContact O-N 3.35Å; A109-I190 HydrophobicContact CB-CD1 3.49Å; A109-I190 VanDerWaalsContact CB-CD1 3.49Å
110	L	97.4	Very high	96.7	Very high	95 Å²	95	49 Å²	49	50%	0.497	25%	0.252	S	S	.	.	H	α-helix	trans	-59.1	-52.6	178.4	176	64.2	0	0	0	111.5	W106 M107 I108 T112 A113 I114	W106-L110 PolarHBondContact O-N 3.28Å; M107-L110 PolarHBondContact O-N 3.38Å; M107-L110 HydrophobicContact SD-CD2 4.22Å; I108-L110 PolarHBondContact O-N 2.94Å; L110-T112 VanDerWaalsContact C-N 3.34Å; L110-T112 PolarHBondContact O-N 3.24Å; L110-A113 PolarHBondContact O-N 3.35Å; L110-I114 HydrophobicContact CD1-CD1 4.17Å; L110-I114 HydrophobicContact CG-CD1 4.19Å; L110-I114 WeakPolarHBondContact O-CG1 3.45Å; L110-I114 PolarHBondContact O-N 3.28Å; L110-I114 VanDerWaalsContact O-N 3.14Å
111	H	98.1	Very high	96.8	Very high	13 Å²	13	51.8 Å²	51.8	6%	0.06	26%	0.264	C	S	.	.	H	α-helix	trans	-69.2	-31	-178.7	-76.3	-53	0	0	0	112.9	F26 P56 C59 L60 M107 I108 I114 H115	F26-H111 AromaticContact CD2-CE1 3.91Å; P56-H111 HydrophobicContact CB-CB 3.97Å; P56-H111 WeakPolarHBondContact CB-O 3.42Å; C59-H111 WeakPolarHBondContact CB-CD2 3.32Å; C59-H111 VanDerWaalsContact CB-NE2 3.31Å; C59-H111 WeakPolarHBondContact CB-NE2 3.43Å; L60-H111 HydrophobicContact CD1-CB 4.44Å; L60-H111 HydrophobicContact CD2-CB 3.88Å; L60-H111 HydrophobicContact CG-CB 3.77Å; M107-H111 PolarHBondContact O-CD2 3.17Å; M107-H111 PolarHBondContact O-N 3.25Å; I108-H111 PolarHBondContact O-N 3.05Å; H111-I114 PolarHBondContact O-N 3.42Å; H111-H115 WeakPolarHBondContact O-CB 3.33Å; H111-H115 PolarHBondContact O-N 3.28Å
112	T	98	Very high	96.8	Very high	17 Å²	17	50.5 Å²	50.5	10%	0.104	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-42.5	172.3	-63.6	0	0	0	0	111.1	L60 I108 A109 L110 H115 T116 L186	L60-T112 WeakPolarHBondContact CD2-OG1 3.21Å; I108-T112 WeakPolarHBondContact O-CB 3.47Å; I108-T112 PolarHBondContact O-N 3.35Å; I108-T112 PolarHBondContact O-OG1 2.97Å; A109-T112 PolarHBondContact O-N 3.38Å; L110-T112 VanDerWaalsContact C-N 3.34Å; L110-T112 PolarHBondContact O-N 3.24Å; T112-H115 PolarHBondContact O-N 3.44Å; T112-T116 VanDerWaalsContact O-CB 3.28Å; T112-T116 WeakPolarHBondContact O-CB 3.27Å; T112-T116 PolarHBondContact O-N 3.32Å; T112-T116 PolarHBondContact O-OG1 2.79Å; T112-L186 HydrophobicContact CG2-CD2 3.79Å; T112-L186 WeakPolarHBondContact OG1-CD2 3.44Å
113	A	97.5	Very high	96.8	Very high	48 Å²	48	46.7 Å²	46.7	40%	0.397	24%	0.244	S	C	.	.	H	α-helix	trans	-60.8	-50.4	176.9	0	0	0	0	0	111.3	A109 L110 H115 T116 I117	A109-A113 PolarHBondContact O-N 3.35Å; L110-A113 PolarHBondContact O-N 3.35Å; A113-H115 PolarHBondContact O-N 3.47Å; A113-T116 PolarHBondContact O-N 3.4Å; A113-I117 WeakPolarHBondContact O-CB 3.47Å; A113-I117 WeakPolarHBondContact O-CD1 3.34Å; A113-I117 VanDerWaalsContact O-CG1 3.25Å; A113-I117 WeakPolarHBondContact O-CG1 3.34Å; A113-I117 PolarHBondContact O-N 3.34Å
114	I	97.9	Very high	96.7	Very high	56 Å²	56	47.9 Å²	47.9	29%	0.287	25%	0.249	S	C	.	.	H	α-helix	trans	-60.8	-46.6	178.3	-58.4	167.6	0	0	0	110.7	P56 L110 H111 T116 A118	P56-I114 HydrophobicContact CB-CB 4.5Å; P56-I114 HydrophobicContact CG-CB 3.97Å; P56-I114 HydrophobicContact CG-CG2 3.56Å; L110-I114 HydrophobicContact CD1-CD1 4.17Å; L110-I114 HydrophobicContact CG-CD1 4.19Å; L110-I114 WeakPolarHBondContact O-CG1 3.45Å; L110-I114 PolarHBondContact O-N 3.28Å; L110-I114 VanDerWaalsContact O-N 3.14Å; H111-I114 PolarHBondContact O-N 3.42Å; I114-T116 PolarHBondContact O-N 2.91Å; I114-A118 VanDerWaalsContact O-CB 3.3Å; I114-A118 WeakPolarHBondContact O-CB 3.35Å; I114-A118 PolarHBondContact O-N 3.27Å
115	H	97.3	Very high	96.4	Very high	20 Å²	20	52 Å²	52	9%	0.093	26%	0.264	C	S	.	.	H	α-helix	trans	-58.5	-47.5	178.7	179.5	69.6	0	0	0	112.4	A53 P56 L60 H111 T112 A113 A118 H119 H222	A53-H115 PolarHBondContact O-ND1 3.49Å; P56-H115 HydrophobicContact CB-CB 4.03Å; L60-H115 HydrophobicContact CD1-CB 4.03Å; H111-H115 WeakPolarHBondContact O-CB 3.33Å; H111-H115 PolarHBondContact O-N 3.28Å; T112-H115 PolarHBondContact O-N 3.44Å; A113-H115 PolarHBondContact O-N 3.47Å; H115-A118 PolarHBondContact O-N 2.95Å; H115-H119 AromaticContact CD2-CD2 3.86Å; H115-H119 AromaticContact CE1-CD2 3.14Å; H115-H119 PolarHBondContact CE1-CD2 3.26Å; H115-H119 AromaticContact CE1-NE2 3.03Å; H115-H119 PolarHBondContact CE1-NE2 3.2Å; H115-H119 AromaticContact CG-CD2 3.96Å; H115-H119 AromaticContact ND1-CD2 3.53Å; H115-H119 AromaticContact ND1-NE2 3.67Å; H115-H119 AromaticContact NE2-CD2 3.37Å; H115-H119 PolarHBondContact NE2-CD2 2.86Å; H115-H119 AromaticContact NE2-NE2 3.59Å; H115-H119 WeakPolarHBondContact O-CB 3.43Å; H115-H119 PolarHBondContact O-CD2 3.27Å; H115-H119 VanDerWaalsContact O-CD2 3.32Å; H115-H119 PolarHBondContact O-N 3.38Å; H115-H222 AromaticContact NE2-NE2 3.85Å
116	T	96.5	Very high	96.2	Very high	44 Å²	44	50.6 Å²	50.6	27%	0.27	25%	0.253	S	S	.	.	H	α-helix	trans	-66.2	-48.3	-177.7	-54.4	0	0	0	0	110.4	T112 A113 I114 A118 H119 L120	T112-T116 VanDerWaalsContact O-CB 3.28Å; T112-T116 WeakPolarHBondContact O-CB 3.27Å; T112-T116 PolarHBondContact O-N 3.32Å; T112-T116 PolarHBondContact O-OG1 2.79Å; A113-T116 PolarHBondContact O-N 3.4Å; I114-T116 PolarHBondContact O-N 2.91Å; T116-A118 VanDerWaalsContact C-N 3.34Å; T116-A118 PolarHBondContact O-N 3.38Å; T116-H119 PolarHBondContact O-N 2.96Å; T116-H119 VanDerWaalsContact O-N 3.12Å; T116-L120 WeakPolarHBondContact O-CG 3.39Å; T116-L120 PolarHBondContact O-N 3.47Å
117	I	96.8	Very high	96	Very high	93 Å²	93	42.7 Å²	42.7	48%	0.477	22%	0.223	S	C	.	.	H	α-helix	trans	-59.4	-45.6	178	-67.8	167.1	0	0	0	110.7	A113 H119 L120 F121	A113-I117 WeakPolarHBondContact O-CB 3.47Å; A113-I117 WeakPolarHBondContact O-CD1 3.34Å; A113-I117 VanDerWaalsContact O-CG1 3.25Å; A113-I117 WeakPolarHBondContact O-CG1 3.34Å; A113-I117 PolarHBondContact O-N 3.34Å; I117-H119 VanDerWaalsContact C-N 3.3Å; I117-H119 PolarHBondContact O-N 3.26Å; I117-L120 WeakPolarHBondContact O-CB 3.3Å; I117-L120 PolarHBondContact O-N 3.04Å; I117-F121 HydrophobicContact CG2-CD2 3.99Å; I117-F121 HydrophobicContact CG2-CE2 3.61Å; I117-F121 VanDerWaalsContact O-CD2 3.28Å; I117-F121 WeakPolarHBondContact O-CD2 2.97Å; I117-F121 PolarHBondContact O-N 2.74Å; I117-F121 VanDerWaalsContact O-N 3.16Å
118	A	97.3	Very high	95.6	Very high	5 Å²	5	43.5 Å²	43.5	4%	0.041	23%	0.228	C	C	.	.	H	α-helix	trans	-62.1	-38.2	176.8	0	0	0	0	0	112.2	L52 A53 I114 H115 T116 F121 N122	L52-A118 HydrophobicContact CB-CB 3.9Å; A53-A118 HydrophobicContact CB-CB 3.82Å; I114-A118 VanDerWaalsContact O-CB 3.3Å; I114-A118 WeakPolarHBondContact O-CB 3.35Å; I114-A118 PolarHBondContact O-N 3.27Å; H115-A118 PolarHBondContact O-N 2.95Å; T116-A118 VanDerWaalsContact C-N 3.34Å; T116-A118 PolarHBondContact O-N 3.38Å; A118-F121 PolarHBondContact O-N 3.18Å; A118-N122 PolarHBondContact O-N 2.93Å; A118-N122 PolarHBondContact O-ND2 3.13Å
119	H	95.5	Very high	95.3	Very high	34 Å²	34	43.6 Å²	43.6	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-34.4	174	-88	-62.3	0	0	0	113.7	H115 T116 I117 N122 V123	H115-H119 AromaticContact CD2-CD2 3.86Å; H115-H119 AromaticContact CE1-CD2 3.14Å; H115-H119 PolarHBondContact CE1-CD2 3.26Å; H115-H119 AromaticContact CE1-NE2 3.03Å; H115-H119 PolarHBondContact CE1-NE2 3.2Å; H115-H119 AromaticContact CG-CD2 3.96Å; H115-H119 AromaticContact ND1-CD2 3.53Å; H115-H119 AromaticContact ND1-NE2 3.67Å; H115-H119 AromaticContact NE2-CD2 3.37Å; H115-H119 PolarHBondContact NE2-CD2 2.86Å; H115-H119 AromaticContact NE2-NE2 3.59Å; H115-H119 WeakPolarHBondContact O-CB 3.43Å; H115-H119 PolarHBondContact O-CD2 3.27Å; H115-H119 VanDerWaalsContact O-CD2 3.32Å; H115-H119 PolarHBondContact O-N 3.38Å; T116-H119 PolarHBondContact O-N 2.96Å; T116-H119 VanDerWaalsContact O-N 3.12Å; I117-H119 VanDerWaalsContact C-N 3.3Å; I117-H119 PolarHBondContact O-N 3.26Å; H119-N122 PolarHBondContact O-N 3.42Å; H119-V123 VanDerWaalsContact O-CG2 3.29Å; H119-V123 WeakPolarHBondContact O-CG2 3.34Å; H119-V123 PolarHBondContact O-N 3.08Å
120	L	95.1	Very high	94.8	Very high	115 Å²	115	43 Å²	43	60%	0.602	22%	0.223	S	C	*	.	H	α-helix	trans	-60.7	-46.5	173.4	-67.4	174.4	0	0	0	111	T116 I117 N122 V123 E124	T116-L120 WeakPolarHBondContact O-CG 3.39Å; T116-L120 PolarHBondContact O-N 3.47Å; I117-L120 WeakPolarHBondContact O-CB 3.3Å; I117-L120 PolarHBondContact O-N 3.04Å; L120-N122 PolarHBondContact O-N 3.45Å; L120-V123 PolarHBondContact O-N 3.22Å; L120-E124 WeakPolarHBondContact O-CB 3.25Å; L120-E124 PolarHBondContact O-N 2.88Å
121	F	95.4	Very high	94.2	Very high	95 Å²	95	40 Å²	40	42%	0.417	21%	0.209	S	C	.	.	H	α-helix	trans	-61.6	-43.4	173.5	-72.9	-61.5	0	0	0	112.5	A49 I117 A118 V123 E124 W125	A49-F121 HydrophobicContact CB-CB 3.96Å; I117-F121 HydrophobicContact CG2-CD2 3.99Å; I117-F121 HydrophobicContact CG2-CE2 3.61Å; I117-F121 VanDerWaalsContact O-CD2 3.28Å; I117-F121 WeakPolarHBondContact O-CD2 2.97Å; I117-F121 PolarHBondContact O-N 2.74Å; I117-F121 VanDerWaalsContact O-N 3.16Å; A118-F121 PolarHBondContact O-N 3.18Å; F121-V123 VanDerWaalsContact C-N 3.3Å; F121-V123 PolarHBondContact O-N 3.23Å; F121-E124 PolarHBondContact O-N 3.29Å; F121-W125 HydrophobicContact CB-CH2 4.5Å; F121-W125 HydrophobicContact CB-CZ2 4.32Å; F121-W125 HydrophobicContact CD1-CZ2 4.32Å; F121-W125 WeakPolarHBondContact O-CB 3.4Å; F121-W125 VanDerWaalsContact O-CG 3.23Å; F121-W125 PolarHBondContact O-N 2.97Å
122	N	94.8	Very high	93.2	Very high	3 Å²	3	43.3 Å²	43.3	2%	0.016	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-41.5	177.5	-71.8	-39.6	0	0	0	112.1	L46 A49 L50 A53 A118 H119 L120 C126	L46-N122 HydrophobicContact CD1-CB 4.48Å; L46-N122 HydrophobicContact CD2-CB 3.94Å; L46-N122 WeakPolarHBondContact CD2-O 3.48Å; A49-N122 VanDerWaalsContact C-OD1 3.25Å; A49-N122 VanDerWaalsContact CB-OD1 3.24Å; A49-N122 WeakPolarHBondContact CB-OD1 3.27Å; A49-N122 PolarHBondContact O-ND2 3.47Å; A49-N122 VanDerWaalsContact O-ND2 3.08Å; L50-N122 PolarHBondContact N-OD1 2.98Å; A53-N122 WeakPolarHBondContact CB-ND2 3.27Å; A118-N122 PolarHBondContact O-N 2.93Å; A118-N122 PolarHBondContact O-ND2 3.13Å; H119-N122 PolarHBondContact O-N 3.42Å; L120-N122 PolarHBondContact O-N 3.45Å; N122-C126 WeakPolarHBondContact O-CB 3.44Å; N122-C126 PolarHBondContact O-N 2.66Å; N122-C126 PolarHBondContact O-SG 2.71Å
123	V	94.1	Very high	91.8	Very high	27 Å²	27	48.3 Å²	48.3	16%	0.164	25%	0.253	C	S	.	.	H	α-helix	trans	-66.7	-47.1	177	171	0	0	0	0	110.3	H119 L120 F121 W125 C126 V127 F155 V169	H119-V123 VanDerWaalsContact O-CG2 3.29Å; H119-V123 WeakPolarHBondContact O-CG2 3.34Å; H119-V123 PolarHBondContact O-N 3.08Å; L120-V123 PolarHBondContact O-N 3.22Å; F121-V123 VanDerWaalsContact C-N 3.3Å; F121-V123 PolarHBondContact O-N 3.23Å; V123-W125 VanDerWaalsContact C-N 3.35Å; V123-W125 PolarHBondContact O-N 3.26Å; V123-C126 PolarHBondContact O-N 2.65Å; V123-V127 HydrophobicContact CG1-CG2 4.38Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.38Å; V123-V127 PolarHBondContact O-N 2.9Å; V123-F155 HydrophobicContact CG2-CE2 4.01Å; V123-F155 HydrophobicContact CG2-CZ 4.04Å; V123-V169 HydrophobicContact CG1-CB 4.04Å; V123-V169 HydrophobicContact CG1-CG1 4.05Å; V123-V169 HydrophobicContact CG1-CG2 4.49Å; V123-V169 HydrophobicContact CG2-CG1 4.09Å
124	E	93.1	Very high	90.2	Very high	83 Å²	83	51.1 Å²	51.1	39%	0.388	27%	0.27	S	S	.	.	H	α-helix	trans	-56.4	-48.6	178.4	-173.4	-174.2	165.1	0	0	111.4	L120 F121 V127 N128 N162	L120-E124 WeakPolarHBondContact O-CB 3.25Å; L120-E124 PolarHBondContact O-N 2.88Å; F121-E124 PolarHBondContact O-N 3.29Å; E124-V127 PolarHBondContact O-N 2.53Å; E124-N128 WeakPolarHBondContact O-CB 3.19Å; E124-N128 VanDerWaalsContact O-CG 3.27Å; E124-N128 PolarHBondContact O-N 3.31Å; E124-N128 PolarHBondContact O-ND2 2.62Å; E124-N162 PolarHBondContact O-ND2 3.04Å
125	W	92.6	Very high	89.3	Confident	87 Å²	87	51.5 Å²	51.5	33%	0.33	27%	0.272	S	S	.	.	H	α-helix	trans	-67.1	-41.1	-179.5	-63.5	-14	0	0	0	112.6	L46 A49 F121 V123 V127 N128 A129	L46-W125 VanDerWaalsContact C-CE3 3.45Å; L46-W125 VanDerWaalsContact O-CE3 3.25Å; L46-W125 WeakPolarHBondContact O-CZ3 3.11Å; A49-W125 HydrophobicContact CB-CE3 4.04Å; A49-W125 HydrophobicContact CB-CH2 3.93Å; A49-W125 HydrophobicContact CB-CZ3 3.39Å; F121-W125 HydrophobicContact CB-CH2 4.5Å; F121-W125 HydrophobicContact CB-CZ2 4.32Å; F121-W125 HydrophobicContact CD1-CZ2 4.32Å; F121-W125 WeakPolarHBondContact O-CB 3.4Å; F121-W125 VanDerWaalsContact O-CG 3.23Å; F121-W125 PolarHBondContact O-N 2.97Å; V123-W125 VanDerWaalsContact C-N 3.35Å; V123-W125 PolarHBondContact O-N 3.26Å; W125-V127 VanDerWaalsContact C-N 3.35Å; W125-V127 PolarHBondContact O-N 2.94Å; W125-N128 PolarHBondContact O-N 2.78Å; W125-A129 VanDerWaalsContact O-CB 3.28Å; W125-A129 WeakPolarHBondContact O-CB 3.33Å; W125-A129 PolarHBondContact O-N 3.12Å
126	C	91.7	Very high	88.5	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.007	30%	0.298	C	S	.	.	H	α-helix	trans	-58.9	-43.4	172.5	-87.3	0	0	0	0	112.8	L46 N122 V123 R130 N154 F155 A156	L46-C126 VanDerWaalsContact CD2-SG 3.52Å; N122-C126 WeakPolarHBondContact O-CB 3.44Å; N122-C126 PolarHBondContact O-N 2.66Å; N122-C126 PolarHBondContact O-SG 2.71Å; V123-C126 PolarHBondContact O-N 2.65Å; C126-R130 PolarHBondContact O-N 2.74Å; C126-N154 VanDerWaalsContact CB-OD1 3.28Å; C126-N154 WeakPolarHBondContact CB-OD1 3.38Å; C126-N154 PolarHBondContact O-ND2 3.15Å; C126-N154 PolarHBondContact SG-OD1 2.94Å; C126-N154 VanDerWaalsContact SG-OD1 3.36Å; C126-F155 HydrophobicContact CB-CE1 4.48Å; C126-F155 HydrophobicContact CB-CE2 4.23Å; C126-F155 HydrophobicContact CB-CZ 4.02Å; C126-F155 VanDerWaalsContact SG-CE1 3.56Å; C126-A156 HydrophobicContact CB-CB 4.07Å
127	V	92.4	Very high	88	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-69.8	-44	179.4	171.9	0	0	0	0	110.6	V123 E124 W125 A129 R130 V131 A156 I160 N162 V169	V123-V127 HydrophobicContact CG1-CG2 4.38Å; V123-V127 VanDerWaalsContact O-CG2 3.3Å; V123-V127 WeakPolarHBondContact O-CG2 3.38Å; V123-V127 PolarHBondContact O-N 2.9Å; E124-V127 PolarHBondContact O-N 2.53Å; W125-V127 VanDerWaalsContact C-N 3.35Å; W125-V127 PolarHBondContact O-N 2.94Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 2.93Å; V127-R130 WeakPolarHBondContact O-CB 3.29Å; V127-R130 PolarHBondContact O-N 3.12Å; V127-R130 VanDerWaalsContact O-N 3.16Å; V127-V131 PolarHBondContact O-N 3.48Å; V127-A156 HydrophobicContact CG2-CB 3.9Å; V127-I160 WeakPolarHBondContact CG1-O 3.36Å; V127-N162 WeakPolarHBondContact CG1-ND2 3.4Å; V127-N162 WeakPolarHBondContact CG1-OD1 3.38Å; V127-V169 HydrophobicContact CG2-CG2 4.33Å
128	N	91.3	Very high	87.4	Confident	47 Å²	47	50.7 Å²	50.7	25%	0.251	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-41.9	177.2	-73.8	-18	0	0	0	111.5	E124 W125 R130 V131 N132 N162	E124-N128 WeakPolarHBondContact O-CB 3.19Å; E124-N128 VanDerWaalsContact O-CG 3.27Å; E124-N128 PolarHBondContact O-N 3.31Å; E124-N128 PolarHBondContact O-ND2 2.62Å; W125-N128 PolarHBondContact O-N 2.78Å; N128-R130 PolarHBondContact O-N 2.99Å; N128-V131 PolarHBondContact O-N 2.85Å; N128-V131 VanDerWaalsContact O-N 3.14Å; N128-N132 WeakPolarHBondContact O-CB 3.24Å; N128-N132 PolarHBondContact O-N 2.74Å; N128-N162 PolarHBondContact OD1-ND2 2.83Å
129	A	89.9	Confident	86.8	Confident	9 Å²	9	51.8 Å²	51.8	7%	0.074	28%	0.279	C	S	.	.	H	α-helix	trans	-61.9	-23.3	177.4	0	0	0	0	0	114.1	L45 W125 V127	L45-A129 HydrophobicContact CD1-CB 3.29Å; W125-A129 VanDerWaalsContact O-CB 3.28Å; W125-A129 WeakPolarHBondContact O-CB 3.33Å; W125-A129 PolarHBondContact O-N 3.12Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 2.93Å
130	R	87.5	Confident	86.4	Confident	8 Å²	8	51.2 Å²	51.2	3%	0.03	28%	0.281	C	S	.	.	H	α-helix	trans	-81.7	-27.1	176.1	-90.8	-72.3	-171.6	-171.4	10	114.1	C126 V127 N128 S142 D146 A156	C126-R130 PolarHBondContact O-N 2.74Å; V127-R130 WeakPolarHBondContact O-CB 3.29Å; V127-R130 PolarHBondContact O-N 3.12Å; V127-R130 VanDerWaalsContact O-N 3.16Å; N128-R130 PolarHBondContact O-N 2.99Å; R130-S142 PolarHBondContact NE-O 3.48Å; R130-S142 PolarHBondContact NH1-O 3.37Å; R130-S142 PolarHBondContact NH2-O 3.13Å; R130-D146 IonicContact CZ-OD1 3.76Å; R130-D146 IonicContact CZ-OD2 3.37Å; R130-D146 IonicContact NH1-OD1 3.03Å; R130-D146 IonicContact NH1-OD2 2.71Å; R130-D146 PolarHBondContact NH1-OD2 3.32Å; R130-D146 VanDerWaalsContact NH2-CG 3.34Å; R130-D146 IonicContact NH2-OD1 3.16Å; R130-D146 PolarHBondContact NH2-OD1 3Å; R130-D146 IonicContact NH2-OD2 2.65Å; R130-D146 PolarHBondContact NH2-OD2 2.96Å; R130-D146 VanDerWaalsContact NH2-OD2 3.16Å; R130-A156 WeakPolarHBondContact CG-O 3.32Å; R130-A156 PolarHBondContact NE-O 2.9Å; R130-A156 VanDerWaalsContact NE-O 3.16Å
131	V	86.2	Confident	86	Confident	34 Å²	34	45.8 Å²	45.8	21%	0.206	25%	0.252	C	S	.	.	H	α-helix	trans	-110.9	-36.8	-171.1	-175.3	0	0	0	0	112.4	V127 N128 K161	V127-V131 PolarHBondContact O-N 3.48Å; N128-V131 PolarHBondContact O-N 2.85Å; N128-V131 VanDerWaalsContact O-N 3.14Å; V131-K161 HydrophobicContact CB-CG 4.41Å; V131-K161 HydrophobicContact CG1-CD 4.27Å; V131-K161 HydrophobicContact CG1-CG 3.53Å
132	N	76.9	Confident	85.7	Confident	81 Å²	81	41.3 Å²	41.3	43%	0.433	23%	0.233	S	C	.	.			trans	-89.6	107.9	178.2	-70.9	-11.2	0	0	0	109.5	N128 S134	N128-N132 WeakPolarHBondContact O-CB 3.24Å; N128-N132 PolarHBondContact O-N 2.74Å; N132-S134 PolarHBondContact O-N 3.28Å
133	N	67.8	Low	85.3	Confident	123 Å²	123	45.5 Å²	45.5	66%	0.658	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	30.7	176.5	-64.8	-16.5	0	0	0	112.9	V139	N133-V139 HydrophobicContact CB-CG2 4.27Å
134	S	63.7	Low	85	Confident	107 Å²	107	44.8 Å²	44.8	75%	0.748	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-25.5	-174.2	50.4	0	0	0	0	113.5	N132	N132-S134 PolarHBondContact O-N 3.28Å
135	D	80.4	Confident	84.2	Confident	64 Å²	64	41.4 Å²	41.4	34%	0.342	23%	0.234	S	C	.	.			trans	-125.9	115.8	-179.3	168.1	38.8	0	0	0	110.6	Y137 S138 V139	D135-Y137 PolarHBondContact O-N 3.16Å; D135-Y137 VanDerWaalsContact O-N 3.12Å; D135-Y137 WeakPolarHBondContact OD1-CB 3.29Å; D135-Y137 PolarHBondContact OD1-N 3.46Å; D135-Y137 VanDerWaalsContact OD1-N 3.17Å; D135-Y137 WeakPolarHBondContact OD2-CB 3.44Å; D135-S138 PolarHBondContact O-N 2.94Å; D135-S138 WeakPolarHBondContact OD2-CB 3.43Å; D135-S138 PolarHBondContact OD2-N 2.54Å; D135-S138 PolarHBondContact OD2-OG 2.82Å; D135-V139 WeakPolarHBondContact O-CG2 3.41Å; D135-V139 PolarHBondContact O-N 2.81Å
136	P	80.8	Confident	83.4	Confident	97 Å²	97	41 Å²	41	63%	0.63	24%	0.239	S	C	*	.	H	α-helix	trans	-54.7	-29.8	178.3	-26.2	34.4	0	0	0	113.8	A140	P136-A140 WeakPolarHBondContact O-CB 3.43Å; P136-A140 PolarHBondContact O-N 2.98Å
137	Y	84.1	Confident	82.2	Confident	21 Å²	21	48.3 Å²	48.3	8%	0.082	27%	0.27	C	S	.	.	H	α-helix	trans	-68.8	-48.9	-179.6	-154.2	-77.6	0	0	0	111.9	F40 Y41 K44 D135 V139 A140 L141 E245 I248	F40-Y137 WeakPolarHBondContact CE1-OH 3.16Å; Y41-Y137 AromaticContact CD1-CE1 3.77Å; Y41-Y137 HydrophobicContact CD1-CE1 3.77Å; Y41-Y137 AromaticContact CD1-CZ 3.64Å; Y41-Y137 WeakPolarHBondContact CD1-OH 3.47Å; Y41-Y137 HydrophobicContact CE1-CE1 4.32Å; Y41-Y137 AromaticContact CE1-CZ 3.73Å; Y41-Y137 WeakPolarHBondContact CE1-OH 3.24Å; K44-Y137 HydrophobicContact CB-CD1 3.8Å; K44-Y137 HydrophobicContact CB-CE1 3.36Å; K44-Y137 HydrophobicContact CD-CE1 4.18Å; K44-Y137 HydrophobicContact CG-CD1 4.29Å; K44-Y137 HydrophobicContact CG-CE1 3.51Å; D135-Y137 PolarHBondContact O-N 3.16Å; D135-Y137 VanDerWaalsContact O-N 3.12Å; D135-Y137 WeakPolarHBondContact OD1-CB 3.29Å; D135-Y137 PolarHBondContact OD1-N 3.46Å; D135-Y137 VanDerWaalsContact OD1-N 3.17Å; D135-Y137 WeakPolarHBondContact OD2-CB 3.44Å; Y137-V139 VanDerWaalsContact C-N 3.31Å; Y137-V139 PolarHBondContact O-N 2.8Å; Y137-A140 PolarHBondContact O-N 2.81Å; Y137-L141 HydrophobicContact CD1-CD1 3.58Å; Y137-L141 HydrophobicContact CD1-CG 4.08Å; Y137-L141 HydrophobicContact CE1-CD1 3.46Å; Y137-L141 VanDerWaalsContact CE1-CD1 3.46Å; Y137-L141 HydrophobicContact CE1-CG 4.13Å; Y137-L141 WeakPolarHBondContact O-CB 3.32Å; Y137-L141 WeakPolarHBondContact O-CG 3.49Å; Y137-L141 PolarHBondContact O-N 3.21Å; Y137-E245 HydrophobicContact CE2-CG 4.24Å; Y137-I248 HydrophobicContact CD2-CD1 3.21Å; Y137-I248 HydrophobicContact CD2-CG1 4.01Å; Y137-I248 HydrophobicContact CE2-CD1 3.94Å; Y137-I248 HydrophobicContact CE2-CG1 4.26Å; Y137-I248 HydrophobicContact CG-CD1 3.82Å
138	S	85.3	Confident	80.3	Confident	22 Å²	22	55.7 Å²	55.7	15%	0.154	31%	0.31	C	S	.	.	H	α-helix	trans	-63.2	-36.5	178.2	-64	0	0	0	0	112.6	D135 S142	D135-S138 PolarHBondContact O-N 2.94Å; D135-S138 WeakPolarHBondContact OD2-CB 3.43Å; D135-S138 PolarHBondContact OD2-N 2.54Å; D135-S138 PolarHBondContact OD2-OG 2.82Å; S138-S142 VanDerWaalsContact O-CB 3.22Å; S138-S142 WeakPolarHBondContact O-CB 3.41Å; S138-S142 PolarHBondContact O-N 2.9Å; S138-S142 VanDerWaalsContact O-N 3.09Å; S138-S142 PolarHBondContact O-OG 3.33Å
139	V	84.3	Confident	78.9	Confident	27 Å²	27	61.4 Å²	61.4	16%	0.164	34%	0.341	C	S	.	.	H	α-helix	trans	-66.3	-55.1	174.9	176.2	0	0	0	0	110.3	N133 D135 Y137 L141 S142 E143	N133-V139 HydrophobicContact CB-CG2 4.27Å; D135-V139 WeakPolarHBondContact O-CG2 3.41Å; D135-V139 PolarHBondContact O-N 2.81Å; Y137-V139 VanDerWaalsContact C-N 3.31Å; Y137-V139 PolarHBondContact O-N 2.8Å; V139-L141 VanDerWaalsContact C-N 3.31Å; V139-L141 PolarHBondContact O-N 2.97Å; V139-S142 PolarHBondContact O-N 3.33Å; V139-E143 HydrophobicContact CG1-CG 4.37Å; V139-E143 WeakPolarHBondContact O-CG 3.43Å; V139-E143 PolarHBondContact O-N 3.2Å
140	A	86.2	Confident	77.7	Confident	23 Å²	23	64.8 Å²	64.8	19%	0.19	36%	0.355	C	S	.	.	H	α-helix	trans	-56.7	-44.7	-178.2	0	0	0	0	0	112	P136 Y137 S142 I144 I248 W251	P136-A140 WeakPolarHBondContact O-CB 3.43Å; P136-A140 PolarHBondContact O-N 2.98Å; Y137-A140 PolarHBondContact O-N 2.81Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 3.09Å; A140-I144 WeakPolarHBondContact O-CG1 3.42Å; A140-I144 PolarHBondContact O-N 3.22Å; A140-I248 HydrophobicContact CB-CG2 3.37Å; A140-W251 HydrophobicContact CB-CZ3 4.38Å
141	L	88.6	Confident	77.4	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-68.1	-31.6	177.5	-74.8	-175.1	0	0	0	114.2	Y41 K44 Y137 V139 I144 L153 W251 F262	Y41-L141 HydrophobicContact CD1-CD1 4.27Å; Y41-L141 HydrophobicContact CD1-CD2 3.86Å; Y41-L141 HydrophobicContact CG-CD2 4.04Å; Y41-L141 WeakPolarHBondContact O-CD1 3.46Å; K44-L141 HydrophobicContact CB-CD1 4.47Å; Y137-L141 HydrophobicContact CD1-CD1 3.58Å; Y137-L141 HydrophobicContact CD1-CG 4.08Å; Y137-L141 HydrophobicContact CE1-CD1 3.46Å; Y137-L141 VanDerWaalsContact CE1-CD1 3.46Å; Y137-L141 HydrophobicContact CE1-CG 4.13Å; Y137-L141 WeakPolarHBondContact O-CB 3.32Å; Y137-L141 WeakPolarHBondContact O-CG 3.49Å; Y137-L141 PolarHBondContact O-N 3.21Å; V139-L141 VanDerWaalsContact C-N 3.31Å; V139-L141 PolarHBondContact O-N 2.97Å; L141-I144 HydrophobicContact CD2-CD1 4.12Å; L141-L153 HydrophobicContact CB-CD2 4.27Å; L141-L153 HydrophobicContact CD1-CD2 4.1Å; L141-L153 HydrophobicContact CD2-CD2 4.05Å; L141-L153 HydrophobicContact CG-CD2 4.4Å; L141-W251 HydrophobicContact CD2-CH2 3.84Å; L141-W251 HydrophobicContact CD2-CZ3 3.89Å; L141-W251 HydrophobicContact CG-CH2 4.44Å; L141-F262 HydrophobicContact CD2-CZ 4.19Å
142	S	89.1	Confident	77.5	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.007	37%	0.37	C	S	.	.	H	α-helix	trans	-74.2	-37.5	179.5	-65.5	0	0	0	0	111.3	R130 S138 V139 A140 I144 N154	R130-S142 PolarHBondContact NE-O 3.48Å; R130-S142 PolarHBondContact NH1-O 3.37Å; R130-S142 PolarHBondContact NH2-O 3.13Å; S138-S142 VanDerWaalsContact O-CB 3.22Å; S138-S142 WeakPolarHBondContact O-CB 3.41Å; S138-S142 PolarHBondContact O-N 2.9Å; S138-S142 VanDerWaalsContact O-N 3.09Å; S138-S142 PolarHBondContact O-OG 3.33Å; V139-S142 PolarHBondContact O-N 3.33Å; A140-S142 VanDerWaalsContact C-N 3.34Å; A140-S142 PolarHBondContact O-N 3.09Å; S142-I144 VanDerWaalsContact C-N 3.32Å; S142-I144 PolarHBondContact O-N 2.62Å; S142-N154 PolarHBondContact OG-ND2 3.01Å
143	E	86.3	Confident	78.2	Confident	92 Å²	92	65.4 Å²	65.4	43%	0.43	35%	0.352	S	S	.	.	H	α-helix	trans	-72.4	-19.9	-178.5	-68.8	-175.8	158.8	0	0	114.3	V139 G145 D146	V139-E143 HydrophobicContact CG1-CG 4.37Å; V139-E143 WeakPolarHBondContact O-CG 3.43Å; V139-E143 PolarHBondContact O-N 3.2Å; E143-G145 PolarHBondContact O-N 2.68Å; E143-D146 WeakPolarHBondContact O-CB 3.35Å; E143-D146 PolarHBondContact O-N 3.33Å
144	I	85.9	Confident	79.3	Confident	12 Å²	12	59.6 Å²	59.6	6%	0.062	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	130.9	175.4	-68	168.3	0	0	0	110.7	A140 L141 S142 E151 R157 W251 V259 P260 F262	A140-I144 WeakPolarHBondContact O-CG1 3.42Å; A140-I144 PolarHBondContact O-N 3.22Å; L141-I144 HydrophobicContact CD2-CD1 4.12Å; S142-I144 VanDerWaalsContact C-N 3.32Å; S142-I144 PolarHBondContact O-N 2.62Å; I144-E151 WeakPolarHBondContact CG2-O 3.23Å; I144-R157 PolarHBondContact O-NH1 3.32Å; I144-W251 HydrophobicContact CD1-CZ3 4.2Å; I144-V259 HydrophobicContact CD1-CG1 4.34Å; I144-V259 HydrophobicContact CG1-CG1 4.32Å; I144-P260 HydrophobicContact CD1-CG 4.1Å; I144-F262 HydrophobicContact CD1-CE2 3.96Å; I144-F262 HydrophobicContact CG2-CD2 4.35Å; I144-F262 HydrophobicContact CG2-CE2 4.45Å
145	G	76.8	Confident	80.5	Confident	11 Å²	11	55 Å²	55	11%	0.113	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	86	6.6	178.6	0	0	0	0	0	115	E143 E150 R157	E143-G145 PolarHBondContact O-N 2.68Å; G145-E150 WeakPolarHBondContact CA-O 2.85Å; G145-E150 PolarHBondContact N-OE2 3.13Å; G145-R157 PolarHBondContact O-NH2 3.05Å
146	D	75.5	Confident	81	Confident	80 Å²	80	52.1 Å²	52.1	43%	0.428	27%	0.272	S	S	.	.	S	Bend	trans	-74.7	-14.6	170	-73.7	-20.7	0	0	0	112.9	R130 E143 R157	R130-D146 IonicContact CZ-OD1 3.76Å; R130-D146 IonicContact CZ-OD2 3.37Å; R130-D146 IonicContact NH1-OD1 3.03Å; R130-D146 IonicContact NH1-OD2 2.71Å; R130-D146 PolarHBondContact NH1-OD2 3.32Å; R130-D146 VanDerWaalsContact NH2-CG 3.34Å; R130-D146 IonicContact NH2-OD1 3.16Å; R130-D146 PolarHBondContact NH2-OD1 3Å; R130-D146 IonicContact NH2-OD2 2.65Å; R130-D146 PolarHBondContact NH2-OD2 2.96Å; R130-D146 VanDerWaalsContact NH2-OD2 3.16Å; E143-D146 WeakPolarHBondContact O-CB 3.35Å; E143-D146 PolarHBondContact O-N 3.33Å; D146-R157 IonicContact OD1-CZ 3.62Å; D146-R157 IonicContact OD1-NE 2.76Å; D146-R157 IonicContact OD1-NH1 3.06Å; D146-R157 IonicContact OD1-NH2 2.66Å; D146-R157 PolarHBondContact OD1-NH2 2.96Å
147	K	66.3	Low	81.2	Confident	153 Å²	153	50.4 Å²	50.4	67%	0.665	25%	0.253	S	S	*	.	S	Bend	trans	-100.7	152.7	174.1	-61.8	175.6	-175.1	170.9	0	110.8	E150	K147-E150 PolarHBondContact O-N 2.97Å
148	D	54.5	Low	81.4	Confident	157 Å²	157	54.3 Å²	54.3	84%	0.84	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	139.1	178.4	-68.5	-36.3	0	0	0	111.8	E150	D148-E150 PolarHBondContact O-N 3.19Å
149	N	61.4	Low	81.5	Confident	168 Å²	168	59.6 Å²	59.6	90%	0.898	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.9	2.9	-177.7	-56.4	-38.4	0	0	0	117.9
150	E	63.7	Low	81.8	Confident	79 Å²	79	60.6 Å²	60.6	37%	0.369	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-96	132.5	174.4	-73.6	179.4	-171.3	0	0	112.2	G145 K147 D148 Y152	G145-E150 WeakPolarHBondContact CA-O 2.85Å; G145-E150 PolarHBondContact N-OE2 3.13Å; K147-E150 PolarHBondContact O-N 2.97Å; D148-E150 PolarHBondContact O-N 3.19Å; E150-Y152 PolarHBondContact O-N 3.19Å
151	E	82.4	Confident	82.1	Confident	81 Å²	81	66.5 Å²	66.5	38%	0.379	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-83	116.7	179.5	-53.5	-175.4	145.1	0	0	111.3	I144 T232 F262	I144-E151 WeakPolarHBondContact CG2-O 3.23Å; E151-T232 VanDerWaalsContact OE2-CG2 3.25Å; E151-T232 WeakPolarHBondContact OE2-CG2 3.29Å; E151-F262 WeakPolarHBondContact CB-O 3.47Å; E151-F262 VanDerWaalsContact OE2-C 3.24Å; E151-F262 PolarHBondContact OE2-N 3.02Å; E151-F262 VanDerWaalsContact OE2-O 3.09Å
152	Y	88.2	Confident	82.2	Confident	48 Å²	48	68.6 Å²	68.6	19%	0.188	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-69.5	153.3	-177.1	69.5	-92	0	0	0	114.6	E150 N154 F155 R229	E150-Y152 PolarHBondContact O-N 3.19Å; Y152-N154 WeakPolarHBondContact CD2-O 3.12Å; Y152-F155 HydrophobicContact CE2-CB 4.22Å; Y152-R229 VanDerWaalsContact CE2-CZ 3.48Å; Y152-R229 VanDerWaalsContact CE2-NE 3.29Å; Y152-R229 VanDerWaalsContact CZ-NE 3.34Å; Y152-R229 WeakPolarHBondContact O-CD 3.44Å; Y152-R229 PolarHBondContact O-NH1 3.12Å; Y152-R229 PolarHBondContact OH-NH2 3.46Å; Y152-R229 VanDerWaalsContact OH-NH2 3.1Å
153	L	90.3	Very high	82.3	Confident	8 Å²	8	73.8 Å²	73.8	4%	0.042	36%	0.362	C	S	.	.	S	Bend	trans	-100.7	-54.1	166.6	179.2	58.5	0	0	0	111.9	T42 L141 F155 R229 F262	T42-L153 HydrophobicContact CG2-CD1 4.17Å; L141-L153 HydrophobicContact CB-CD2 4.27Å; L141-L153 HydrophobicContact CD1-CD2 4.1Å; L141-L153 HydrophobicContact CD2-CD2 4.05Å; L141-L153 HydrophobicContact CG-CD2 4.4Å; L153-F155 PolarHBondContact O-N 2.81Å; L153-R229 HydrophobicContact CD1-CB 4.1Å; L153-F262 HydrophobicContact CB-CB 4.43Å; L153-F262 HydrophobicContact CB-CD1 4.3Å; L153-F262 HydrophobicContact CB-CD2 3.75Å; L153-F262 HydrophobicContact CB-CE2 4Å; L153-F262 HydrophobicContact CB-CG 3.9Å; L153-F262 HydrophobicContact CB-CZ 4.38Å; L153-F262 HydrophobicContact CD1-CB 4.46Å; L153-F262 HydrophobicContact CD1-CD1 3.71Å; L153-F262 HydrophobicContact CD1-CE1 4.06Å; L153-F262 HydrophobicContact CD1-CG 4.04Å; L153-F262 HydrophobicContact CD2-CD1 4.32Å; L153-F262 HydrophobicContact CD2-CE1 3.88Å; L153-F262 HydrophobicContact CD2-CE2 4.25Å; L153-F262 HydrophobicContact CD2-CZ 3.84Å; L153-F262 HydrophobicContact CG-CD1 4.32Å; L153-F262 HydrophobicContact CG-CE1 4.38Å; L153-F262 HydrophobicContact CG-CG 4.41Å
154	N	91.8	Very high	82.7	Confident	0 Å²	0	76.1 Å²	76.1	0%	0	37%	0.373	C	S	.	.			trans	-78.1	120.4	-178.3	-169.7	-16.2	0	0	0	110.9	L45 C126 S142 Y152 A156 R157	L45-N154 HydrophobicContact CD2-CB 4.03Å; C126-N154 VanDerWaalsContact CB-OD1 3.28Å; C126-N154 WeakPolarHBondContact CB-OD1 3.38Å; C126-N154 PolarHBondContact O-ND2 3.15Å; C126-N154 PolarHBondContact SG-OD1 2.94Å; C126-N154 VanDerWaalsContact SG-OD1 3.36Å; S142-N154 PolarHBondContact OG-ND2 3.01Å; Y152-N154 WeakPolarHBondContact CD2-O 3.12Å; N154-A156 WeakPolarHBondContact OD1-CB 3.49Å; N154-A156 PolarHBondContact OD1-N 3.39Å; N154-A156 PolarHBondContact OD1-O 2.84Å; N154-R157 WeakPolarHBondContact O-CD 2.99Å
155	F	89.6	Confident	83	Confident	11 Å²	11	75.7 Å²	75.7	5%	0.048	37%	0.372	C	S	.	.	S	Bend	trans	-80.6	-14.8	179.1	59.8	-101.9	0	0	0	113.2	V123 C126 Y152 L153 R157 V169 R173 I227	V123-F155 HydrophobicContact CG2-CE2 4.01Å; V123-F155 HydrophobicContact CG2-CZ 4.04Å; C126-F155 HydrophobicContact CB-CE1 4.48Å; C126-F155 HydrophobicContact CB-CE2 4.23Å; C126-F155 HydrophobicContact CB-CZ 4.02Å; C126-F155 VanDerWaalsContact SG-CE1 3.56Å; Y152-F155 HydrophobicContact CE2-CB 4.22Å; L153-F155 PolarHBondContact O-N 2.81Å; F155-R157 PolarHBondContact O-N 2.69Å; F155-V169 HydrophobicContact CD2-CG1 4.06Å; F155-V169 HydrophobicContact CE2-CG1 3.82Å; F155-R173 PolarHBondContact O-NE 2.98Å; F155-R173 PolarHBondContact O-NH2 2.81Å; F155-I227 HydrophobicContact CD1-CB 4.35Å
156	A	89.5	Confident	83.7	Confident	3 Å²	3	75.8 Å²	75.8	3%	0.025	37%	0.373	C	S	.	.			trans	-79.2	111.5	167.7	0	0	0	0	0	108.4	C126 V127 R130 N154 V169	C126-A156 HydrophobicContact CB-CB 4.07Å; V127-A156 HydrophobicContact CG2-CB 3.9Å; R130-A156 WeakPolarHBondContact CG-O 3.32Å; R130-A156 PolarHBondContact NE-O 2.9Å; R130-A156 VanDerWaalsContact NE-O 3.16Å; N154-A156 WeakPolarHBondContact OD1-CB 3.49Å; N154-A156 PolarHBondContact OD1-N 3.39Å; N154-A156 PolarHBondContact OD1-O 2.84Å; A156-V169 HydrophobicContact CB-CG2 4.25Å
157	R	86.3	Confident	84.6	Confident	62 Å²	62	77.5 Å²	77.5	23%	0.234	38%	0.382	C	S	.	.			trans	-103.6	-37	-172.2	-57.5	-58	-64.1	-169.7	-10.3	112.3	I144 G145 D146 N154 F155	I144-R157 PolarHBondContact O-NH1 3.32Å; G145-R157 PolarHBondContact O-NH2 3.05Å; D146-R157 IonicContact OD1-CZ 3.62Å; D146-R157 IonicContact OD1-NE 2.76Å; D146-R157 IonicContact OD1-NH1 3.06Å; D146-R157 IonicContact OD1-NH2 2.66Å; D146-R157 PolarHBondContact OD1-NH2 2.96Å; N154-R157 WeakPolarHBondContact O-CD 2.99Å; F155-R157 PolarHBondContact O-N 2.69Å
158	E	86.9	Confident	85.9	Confident	102 Å²	102	74.8 Å²	74.8	48%	0.477	37%	0.368	S	S	.	.	S	Bend	trans	-76.2	141.3	176	-59.3	-56	148.3	0	0	111.5	I160 Y168	E158-I160 VanDerWaalsContact C-N 3.25Å; E158-I160 HydrophobicContact CB-CD1 3.71Å; E158-I160 HydrophobicContact CB-CG1 3.87Å; E158-I160 HydrophobicContact CG-CD1 4.32Å; E158-I160 PolarHBondContact O-N 3.41Å; E158-I160 VanDerWaalsContact O-N 3.1Å; E158-Y168 HydrophobicContact CB-CE1 4.18Å; E158-Y168 HydrophobicContact CG-CD1 4.26Å; E158-Y168 HydrophobicContact CG-CE1 3.47Å; E158-Y168 VanDerWaalsContact CG-CE1 3.47Å
159	K	88.8	Confident	87.6	Confident	134 Å²	134	67.8 Å²	67.8	58%	0.583	33%	0.331	S	S	*	.			trans	-86.7	61	176.5	-64.6	-173.8	179.7	-173.7	0	111.1
160	I	90.5	Very high	89	Confident	48 Å²	48	61.2 Å²	61.2	25%	0.246	30%	0.3	C	S	.	.			trans	-105.5	132.9	179.7	-57.1	167.5	0	0	0	108.8	V127 E158 E164 Y168	V127-I160 WeakPolarHBondContact CG1-O 3.36Å; E158-I160 VanDerWaalsContact C-N 3.25Å; E158-I160 HydrophobicContact CB-CD1 3.71Å; E158-I160 HydrophobicContact CB-CG1 3.87Å; E158-I160 HydrophobicContact CG-CD1 4.32Å; E158-I160 PolarHBondContact O-N 3.41Å; E158-I160 VanDerWaalsContact O-N 3.1Å; I160-E164 HydrophobicContact CG2-CB 3.72Å; I160-Y168 HydrophobicContact CD1-CD1 4.39Å; I160-Y168 HydrophobicContact CD1-CD2 4.28Å; I160-Y168 HydrophobicContact CD1-CG 4.11Å
161	K	91.8	Very high	90.4	Very high	146 Å²	146	61.6 Å²	61.6	64%	0.635	31%	0.307	S	S	*	.			trans	-69.3	149.7	179.1	-73.5	-178.7	179.4	-178.3	0	111.7	V131 E164 G165	V131-K161 HydrophobicContact CB-CG 4.41Å; V131-K161 HydrophobicContact CG1-CD 4.27Å; V131-K161 HydrophobicContact CG1-CG 3.53Å; K161-E164 PolarHBondContact O-N 2.85Å; K161-E164 VanDerWaalsContact O-N 3.17Å; K161-G165 PolarHBondContact O-N 2.88Å
162	N	90.3	Very high	90.9	Very high	45 Å²	45	60.7 Å²	60.7	24%	0.241	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	145.5	166.7	-77.8	-44.8	0	0	0	110.6	E124 V127 N128 G166	E124-N162 PolarHBondContact O-ND2 3.04Å; V127-N162 WeakPolarHBondContact CG1-ND2 3.4Å; V127-N162 WeakPolarHBondContact CG1-OD1 3.38Å; N128-N162 PolarHBondContact OD1-ND2 2.83Å; N162-G166 PolarHBondContact OD1-N 2.92Å
163	P	92.4	Very high	91.1	Very high	109 Å²	109	61.1 Å²	61.1	71%	0.708	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	cis	-85	-11.8	6.6	33.8	-35.8	0	0	0	115.3	G165 G166 L167	P163-G165 PolarHBondContact O-N 2.75Å; P163-G166 PolarHBondContact O-N 3.32Å; P163-L167 PolarHBondContact O-N 3.15Å
164	E	93.6	Very high	91.2	Very high	141 Å²	141	64 Å²	64	66%	0.659	32%	0.324	S	S	*	.	H	α-helix	trans	-62.4	-41.1	-175.7	-66.2	178.8	178.2	0	0	112.6	I160 K161 G166 L167 Y168	I160-E164 HydrophobicContact CG2-CB 3.72Å; K161-E164 PolarHBondContact O-N 2.85Å; K161-E164 VanDerWaalsContact O-N 3.17Å; E164-G166 PolarHBondContact O-N 3.41Å; E164-L167 PolarHBondContact O-N 2.85Å; E164-Y168 WeakPolarHBondContact O-CB 3.47Å; E164-Y168 PolarHBondContact O-N 3.37Å
165	G	91.9	Very high	91.3	Very high	4 Å²	4	64.4 Å²	64.4	4%	0.041	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-39.7	177.4	0	0	0	0	0	112.8	K161 P163 Y168 V169	K161-G165 PolarHBondContact O-N 2.88Å; P163-G165 PolarHBondContact O-N 2.75Å; G165-Y168 WeakPolarHBondContact O-CB 3.47Å; G165-Y168 PolarHBondContact O-N 2.62Å; G165-V169 WeakPolarHBondContact O-CG2 3.35Å; G165-V169 PolarHBondContact O-N 3.29Å
166	G	92.4	Very high	91.5	Very high	13 Å²	13	64.8 Å²	64.8	13%	0.134	33%	0.334	C	S	.	.	H	α-helix	trans	-64.2	-43.6	174.1	0	0	0	0	0	112.4	N162 P163 E164 V169 A170	N162-G166 PolarHBondContact OD1-N 2.92Å; P163-G166 PolarHBondContact O-N 3.32Å; E164-G166 PolarHBondContact O-N 3.41Å; G166-V169 PolarHBondContact O-N 3.24Å; G166-A170 PolarHBondContact O-N 3.38Å
167	L	93.1	Very high	91.7	Very high	115 Å²	115	68.3 Å²	68.3	60%	0.602	35%	0.351	S	S	*	.	H	α-helix	trans	-63	-43	174.7	-176.7	63.3	0	0	0	111.5	P163 E164 V169 A170 V171	P163-L167 PolarHBondContact O-N 3.15Å; E164-L167 PolarHBondContact O-N 2.85Å; L167-V169 VanDerWaalsContact C-N 3.33Å; L167-V169 PolarHBondContact O-N 2.86Å; L167-A170 WeakPolarHBondContact O-CB 3.3Å; L167-A170 PolarHBondContact O-N 2.98Å; L167-A170 VanDerWaalsContact O-N 3.09Å; L167-V171 HydrophobicContact CD1-CG1 4.16Å; L167-V171 WeakPolarHBondContact O-CG2 3.24Å; L167-V171 PolarHBondContact O-N 3.46Å
168	Y	93.6	Very high	92.2	Very high	96 Å²	96	65.9 Å²	65.9	38%	0.376	34%	0.343	S	S	.	.	H	α-helix	trans	-55.7	-47.9	176	179.9	-96.7	0	0	0	111.1	E158 I160 E164 G165 A170 V171 T172	E158-Y168 HydrophobicContact CB-CE1 4.18Å; E158-Y168 HydrophobicContact CG-CD1 4.26Å; E158-Y168 HydrophobicContact CG-CE1 3.47Å; E158-Y168 VanDerWaalsContact CG-CE1 3.47Å; I160-Y168 HydrophobicContact CD1-CD1 4.39Å; I160-Y168 HydrophobicContact CD1-CD2 4.28Å; I160-Y168 HydrophobicContact CD1-CG 4.11Å; E164-Y168 WeakPolarHBondContact O-CB 3.47Å; E164-Y168 PolarHBondContact O-N 3.37Å; G165-Y168 WeakPolarHBondContact O-CB 3.47Å; G165-Y168 PolarHBondContact O-N 2.62Å; Y168-A170 VanDerWaalsContact C-N 3.34Å; Y168-A170 PolarHBondContact O-N 2.79Å; Y168-V171 PolarHBondContact O-N 3.22Å; Y168-T172 HydrophobicContact CD1-CG2 4.43Å; Y168-T172 HydrophobicContact CD2-CG2 3.86Å; Y168-T172 HydrophobicContact CE1-CG2 4.22Å; Y168-T172 HydrophobicContact CE2-CG2 3.63Å; Y168-T172 HydrophobicContact CG-CG2 4.27Å; Y168-T172 WeakPolarHBondContact O-CB 3.18Å; Y168-T172 VanDerWaalsContact O-CG2 3.32Å; Y168-T172 WeakPolarHBondContact O-CG2 3.41Å; Y168-T172 PolarHBondContact O-N 3.37Å; Y168-T172 PolarHBondContact O-OG1 2.92Å
169	V	91.9	Very high	92.6	Very high	10 Å²	10	61.7 Å²	61.7	6%	0.061	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-44.1	175.1	170.2	0	0	0	0	111.4	V123 V127 F155 A156 G165 G166 L167 V171 R173	V123-V169 HydrophobicContact CG1-CB 4.04Å; V123-V169 HydrophobicContact CG1-CG1 4.05Å; V123-V169 HydrophobicContact CG1-CG2 4.49Å; V123-V169 HydrophobicContact CG2-CG1 4.09Å; V127-V169 HydrophobicContact CG2-CG2 4.33Å; F155-V169 HydrophobicContact CD2-CG1 4.06Å; F155-V169 HydrophobicContact CE2-CG1 3.82Å; A156-V169 HydrophobicContact CB-CG2 4.25Å; G165-V169 WeakPolarHBondContact O-CG2 3.35Å; G165-V169 PolarHBondContact O-N 3.29Å; G166-V169 PolarHBondContact O-N 3.24Å; L167-V169 VanDerWaalsContact C-N 3.33Å; L167-V169 PolarHBondContact O-N 2.86Å; V169-V171 VanDerWaalsContact C-N 3.29Å; V169-V171 PolarHBondContact O-N 2.94Å; V169-R173 HydrophobicContact CB-CG 4.49Å; V169-R173 HydrophobicContact CG1-CG 3.86Å; V169-R173 VanDerWaalsContact O-CB 3.24Å; V169-R173 WeakPolarHBondContact O-CB 3.47Å; V169-R173 WeakPolarHBondContact O-CG 3.39Å; V169-R173 PolarHBondContact O-N 3.31Å; V169-R173 VanDerWaalsContact O-N 3.08Å
170	A	90.8	Very high	93	Very high	30 Å²	30	59.7 Å²	59.7	25%	0.248	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-33.5	-178.5	0	0	0	0	0	113.2	G166 L167 Y168 G176 I177	G166-A170 PolarHBondContact O-N 3.38Å; L167-A170 WeakPolarHBondContact O-CB 3.3Å; L167-A170 PolarHBondContact O-N 2.98Å; L167-A170 VanDerWaalsContact O-N 3.09Å; Y168-A170 VanDerWaalsContact C-N 3.34Å; Y168-A170 PolarHBondContact O-N 2.79Å; A170-G176 CarbonylContact O-C 3.54Å; A170-G176 WeakPolarHBondContact O-CA 3.34Å; A170-I177 PolarHBondContact O-N 2.73Å
171	V	92.6	Very high	93.3	Very high	87 Å²	87	60.5 Å²	60.5	53%	0.527	33%	0.334	S	S	.	.	H	α-helix	trans	-100.9	-12.4	-175.9	-55.4	0	0	0	0	114.8	L167 Y168 V169 I177	L167-V171 HydrophobicContact CD1-CG1 4.16Å; L167-V171 WeakPolarHBondContact O-CG2 3.24Å; L167-V171 PolarHBondContact O-N 3.46Å; Y168-V171 PolarHBondContact O-N 3.22Å; V169-V171 VanDerWaalsContact C-N 3.29Å; V169-V171 PolarHBondContact O-N 2.94Å; V171-I177 VanDerWaalsContact O-CD1 3.24Å; V171-I177 WeakPolarHBondContact O-CD1 3.29Å; V171-I177 VanDerWaalsContact O-CG1 3.31Å; V171-I177 WeakPolarHBondContact O-CG1 3.13Å
172	T	92.8	Very high	93.5	Very high	62 Å²	62	54.2 Å²	54.2	38%	0.38	31%	0.307	S	S	.	.	H	α-helix	trans	-106.6	-29.7	179.4	59.9	0	0	0	0	113.4	Y168	Y168-T172 HydrophobicContact CD1-CG2 4.43Å; Y168-T172 HydrophobicContact CD2-CG2 3.86Å; Y168-T172 HydrophobicContact CE1-CG2 4.22Å; Y168-T172 HydrophobicContact CE2-CG2 3.63Å; Y168-T172 HydrophobicContact CG-CG2 4.27Å; Y168-T172 WeakPolarHBondContact O-CB 3.18Å; Y168-T172 VanDerWaalsContact O-CG2 3.32Å; Y168-T172 WeakPolarHBondContact O-CG2 3.41Å; Y168-T172 PolarHBondContact O-N 3.37Å; Y168-T172 PolarHBondContact O-OG1 2.92Å
173	R	92.1	Very high	93.9	Very high	57 Å²	57	53.6 Å²	53.6	22%	0.215	31%	0.305	C	S	.	.	S	Bend	trans	-83.1	140.2	179.6	-59.6	-49.2	-157.3	165.9	-8.6	110.8	F155 V169 A175 G176 I177 E225	F155-R173 PolarHBondContact O-NE 2.98Å; F155-R173 PolarHBondContact O-NH2 2.81Å; V169-R173 HydrophobicContact CB-CG 4.49Å; V169-R173 HydrophobicContact CG1-CG 3.86Å; V169-R173 VanDerWaalsContact O-CB 3.24Å; V169-R173 WeakPolarHBondContact O-CB 3.47Å; V169-R173 WeakPolarHBondContact O-CG 3.39Å; V169-R173 PolarHBondContact O-N 3.31Å; V169-R173 VanDerWaalsContact O-N 3.08Å; R173-A175 VanDerWaalsContact C-N 3.29Å; R173-A175 PolarHBondContact O-N 2.68Å; R173-G176 WeakPolarHBondContact O-CA 3.45Å; R173-G176 PolarHBondContact O-N 2.82Å; R173-I177 WeakPolarHBondContact O-CG1 3.44Å; R173-I177 PolarHBondContact O-N 3.05Å; R173-E225 WeakPolarHBondContact CD-OE1 3.43Å; R173-E225 IonicContact NE-OE1 3.65Å; R173-E225 IonicContact NH1-OE1 2.62Å; R173-E225 PolarHBondContact NH1-OE1 3.19Å
174	L	93.4	Very high	94.1	Very high	70 Å²	70	53.5 Å²	53.5	37%	0.366	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-44.6	178.7	175.9	66.5	0	0	0	110.7	G176 T178 A224 E225	L174-G176 VanDerWaalsContact C-N 3.28Å; L174-G176 PolarHBondContact O-N 3.26Å; L174-T178 HydrophobicContact CD1-CG2 3.83Å; L174-T178 HydrophobicContact CG-CG2 4.37Å; L174-T178 WeakPolarHBondContact O-CB 3.29Å; L174-T178 VanDerWaalsContact O-CG2 3.26Å; L174-T178 WeakPolarHBondContact O-CG2 3.43Å; L174-T178 PolarHBondContact O-N 2.82Å; L174-T178 PolarHBondContact O-OG1 3.27Å; L174-A224 HydrophobicContact CD2-CB 4.06Å; L174-E225 HydrophobicContact CB-CB 4.22Å; L174-E225 HydrophobicContact CD2-CB 4.38Å; L174-E225 PolarHBondContact N-OE2 2.64Å
175	A	92.4	Very high	94.3	Very high	8 Å²	8	47.2 Å²	47.2	7%	0.066	27%	0.269	C	S	.	.	H	α-helix	trans	-62.4	-35.3	176.6	0	0	0	0	0	112.3	R173 T178 G179 H222 E225 I227	R173-A175 VanDerWaalsContact C-N 3.29Å; R173-A175 PolarHBondContact O-N 2.68Å; A175-T178 PolarHBondContact O-OG1 2.93Å; A175-G179 WeakPolarHBondContact O-CA 3.29Å; A175-G179 PolarHBondContact O-N 3.49Å; A175-H222 PolarHBondContact O-CE1 3.32Å; A175-H222 PolarHBondContact O-ND1 3.15Å; A175-H222 VanDerWaalsContact O-ND1 3.16Å; A175-E225 PolarHBondContact N-OE2 2.63Å; A175-I227 HydrophobicContact CB-CD1 3.63Å; A175-I227 HydrophobicContact CB-CG1 4.11Å; A175-I227 HydrophobicContact CB-CG2 4.18Å
176	G	93.7	Very high	94.6	Very high	18 Å²	18	47.8 Å²	47.8	19%	0.186	27%	0.272	C	S	.	.	H	α-helix	trans	-66.4	-56.9	176.3	0	0	0	0	0	112.3	A170 R173 L174 T178 G179 V180	A170-G176 CarbonylContact O-C 3.54Å; A170-G176 WeakPolarHBondContact O-CA 3.34Å; R173-G176 WeakPolarHBondContact O-CA 3.45Å; R173-G176 PolarHBondContact O-N 2.82Å; L174-G176 VanDerWaalsContact C-N 3.28Å; L174-G176 PolarHBondContact O-N 3.26Å; G176-T178 PolarHBondContact O-N 3.11Å; G176-G179 PolarHBondContact O-N 2.95Å; G176-G179 VanDerWaalsContact O-N 3.13Å; G176-V180 WeakPolarHBondContact O-CG2 3.32Å; G176-V180 PolarHBondContact O-N 2.79Å
177	I	95.3	Very high	94.8	Very high	77 Å²	77	51.6 Å²	51.6	40%	0.395	29%	0.288	S	S	.	.	H	α-helix	trans	-59.2	-50.6	-177.2	-61.2	165.9	0	0	0	110.1	A170 V171 R173 G179 V180 V181	A170-I177 PolarHBondContact O-N 2.73Å; V171-I177 VanDerWaalsContact O-CD1 3.24Å; V171-I177 WeakPolarHBondContact O-CD1 3.29Å; V171-I177 VanDerWaalsContact O-CG1 3.31Å; V171-I177 WeakPolarHBondContact O-CG1 3.13Å; R173-I177 WeakPolarHBondContact O-CG1 3.44Å; R173-I177 PolarHBondContact O-N 3.05Å; I177-G179 VanDerWaalsContact C-N 3.3Å; I177-G179 PolarHBondContact O-N 2.79Å; I177-V180 PolarHBondContact O-N 2.99Å; I177-V181 WeakPolarHBondContact O-CG2 3.3Å; I177-V181 PolarHBondContact O-N 2.78Å
178	T	96.1	Very high	95	Very high	11 Å²	11	49.7 Å²	49.7	7%	0.067	28%	0.278	C	S	.	.	H	α-helix	trans	-63.1	-39.3	179.2	55.8	0	0	0	0	111.1	L174 A175 G176 V180 V181 I182 I221 H222	L174-T178 HydrophobicContact CD1-CG2 3.83Å; L174-T178 HydrophobicContact CG-CG2 4.37Å; L174-T178 WeakPolarHBondContact O-CB 3.29Å; L174-T178 VanDerWaalsContact O-CG2 3.26Å; L174-T178 WeakPolarHBondContact O-CG2 3.43Å; L174-T178 PolarHBondContact O-N 2.82Å; L174-T178 PolarHBondContact O-OG1 3.27Å; A175-T178 PolarHBondContact O-OG1 2.93Å; G176-T178 PolarHBondContact O-N 3.11Å; T178-V180 PolarHBondContact O-N 2.79Å; T178-V181 PolarHBondContact O-N 2.85Å; T178-I182 WeakPolarHBondContact O-CG1 3.21Å; T178-I182 WeakPolarHBondContact O-CG2 3.34Å; T178-I182 PolarHBondContact O-N 2.8Å; T178-I221 HydrophobicContact CG2-CD1 3.8Å; T178-I221 HydrophobicContact CG2-CG1 3.87Å; T178-H222 WeakPolarHBondContact OG1-CA 3.22Å; T178-H222 PolarHBondContact OG1-ND1 3.03Å
179	G	95.6	Very high	95.2	Very high	15 Å²	15	45.9 Å²	45.9	16%	0.155	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-43.9	176	0	0	0	0	0	113.1	A175 G176 I177 I182 T183 H222	A175-G179 WeakPolarHBondContact O-CA 3.29Å; A175-G179 PolarHBondContact O-N 3.49Å; G176-G179 PolarHBondContact O-N 2.95Å; G176-G179 VanDerWaalsContact O-N 3.13Å; I177-G179 VanDerWaalsContact C-N 3.3Å; I177-G179 PolarHBondContact O-N 2.79Å; G179-I182 WeakPolarHBondContact O-CG1 3.13Å; G179-T183 VanDerWaalsContact O-CB 3.22Å; G179-T183 WeakPolarHBondContact O-CB 3.5Å; G179-T183 PolarHBondContact O-N 2.76Å; G179-T183 VanDerWaalsContact O-N 3.11Å; G179-T183 PolarHBondContact O-OG1 3.16Å; G179-H222 PolarHBondContact N-ND1 3.04Å
180	V	95.9	Very high	95.4	Very high	91 Å²	91	47.2 Å²	47.2	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-65.3	-48.9	175.6	174	0	0	0	0	110.8	G176 I177 T178 T183 L184	G176-V180 WeakPolarHBondContact O-CG2 3.32Å; G176-V180 PolarHBondContact O-N 2.79Å; I177-V180 PolarHBondContact O-N 2.99Å; T178-V180 PolarHBondContact O-N 2.79Å; V180-T183 PolarHBondContact O-N 3.05Å; V180-L184 WeakPolarHBondContact O-CB 2.93Å; V180-L184 PolarHBondContact O-N 3.08Å
181	V	96.9	Very high	95.6	Very high	65 Å²	65	48.9 Å²	48.9	39%	0.394	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-48	-178	171.8	0	0	0	0	111.8	I177 T178 T183 L184 C185 I214	I177-V181 WeakPolarHBondContact O-CG2 3.3Å; I177-V181 PolarHBondContact O-N 2.78Å; T178-V181 PolarHBondContact O-N 2.85Å; V181-T183 VanDerWaalsContact C-N 3.33Å; V181-T183 PolarHBondContact O-N 3.13Å; V181-L184 PolarHBondContact O-N 2.98Å; V181-C185 PolarHBondContact O-N 2.87Å; V181-C185 PolarHBondContact O-SG 3.29Å; V181-I214 HydrophobicContact CG1-CG2 4.15Å
182	I	97.2	Very high	95.7	Very high	15 Å²	15	45 Å²	45	8%	0.077	25%	0.254	C	S	.	.	H	α-helix	trans	-67	-35.4	-179.9	67.8	-169.8	0	0	0	111.7	T178 G179 C185 L186 F215 H222	T178-I182 WeakPolarHBondContact O-CG1 3.21Å; T178-I182 WeakPolarHBondContact O-CG2 3.34Å; T178-I182 PolarHBondContact O-N 2.8Å; G179-I182 WeakPolarHBondContact O-CG1 3.13Å; I182-C185 PolarHBondContact O-N 2.99Å; I182-L186 WeakPolarHBondContact O-CB 3.31Å; I182-L186 PolarHBondContact O-N 2.86Å; I182-F215 HydrophobicContact CB-CD2 4.14Å; I182-H222 HydrophobicContact CD1-CB 4.34Å
183	T	97.1	Very high	95.8	Very high	32 Å²	32	43.8 Å²	43.8	20%	0.196	25%	0.248	C	C	.	.	H	α-helix	trans	-68.4	-43.6	177.8	-58.7	0	0	0	0	111	G179 V180 V181 C185 L186 I187	G179-T183 VanDerWaalsContact O-CB 3.22Å; G179-T183 WeakPolarHBondContact O-CB 3.5Å; G179-T183 PolarHBondContact O-N 2.76Å; G179-T183 VanDerWaalsContact O-N 3.11Å; G179-T183 PolarHBondContact O-OG1 3.16Å; V180-T183 PolarHBondContact O-N 3.05Å; V181-T183 VanDerWaalsContact C-N 3.33Å; V181-T183 PolarHBondContact O-N 3.13Å; T183-C185 PolarHBondContact O-N 2.76Å; T183-L186 PolarHBondContact O-N 3Å; T183-I187 HydrophobicContact CG2-CD1 4.07Å; T183-I187 WeakPolarHBondContact O-CG1 2.79Å; T183-I187 PolarHBondContact O-N 2.76Å
184	L	97.1	Very high	95.8	Very high	106 Å²	106	43.5 Å²	43.5	56%	0.555	25%	0.253	S	S	*	.	H	α-helix	trans	-59.2	-47.2	174.1	-173.3	82.4	0	0	0	111.1	V180 V181 L186 I187 L188	V180-L184 WeakPolarHBondContact O-CB 2.93Å; V180-L184 PolarHBondContact O-N 3.08Å; V181-L184 PolarHBondContact O-N 2.98Å; L184-L186 VanDerWaalsContact C-N 3.32Å; L184-L186 PolarHBondContact O-N 2.87Å; L184-I187 PolarHBondContact O-N 3.42Å; L184-L188 HydrophobicContact CG-CD1 4.41Å; L184-L188 WeakPolarHBondContact O-CG 3.15Å; L184-L188 PolarHBondContact O-N 2.95Å
185	C	97.9	Very high	95.5	Very high	9 Å²	9	45.6 Å²	45.6	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-57.5	-46.3	176	-68.5	0	0	0	0	111	V181 I182 T183 I187 L188 I189 L211 F215	V181-C185 PolarHBondContact O-N 2.87Å; V181-C185 PolarHBondContact O-SG 3.29Å; I182-C185 PolarHBondContact O-N 2.99Å; T183-C185 PolarHBondContact O-N 2.76Å; C185-I187 PolarHBondContact O-N 2.96Å; C185-L188 PolarHBondContact O-N 2.76Å; C185-I189 WeakPolarHBondContact O-CB 3.47Å; C185-I189 WeakPolarHBondContact O-CD1 3.18Å; C185-I189 WeakPolarHBondContact O-CG1 3.42Å; C185-I189 PolarHBondContact O-N 3.28Å; C185-L211 HydrophobicContact CB-CB 4.35Å; C185-F215 HydrophobicContact CB-CB 4.47Å
186	L	97.6	Very high	95.4	Very high	17 Å²	17	50.5 Å²	50.5	9%	0.089	29%	0.288	C	S	.	.	H	α-helix	trans	-62.4	-42.5	179.7	-176.2	64.9	0	0	0	112.2	I108 T112 I182 T183 L184 L188 I189 I190 F215	I108-L186 HydrophobicContact CG2-CD1 4.15Å; I108-L186 HydrophobicContact CG2-CD2 4.06Å; T112-L186 HydrophobicContact CG2-CD2 3.79Å; T112-L186 WeakPolarHBondContact OG1-CD2 3.44Å; I182-L186 WeakPolarHBondContact O-CB 3.31Å; I182-L186 PolarHBondContact O-N 2.86Å; T183-L186 PolarHBondContact O-N 3Å; L184-L186 VanDerWaalsContact C-N 3.32Å; L184-L186 PolarHBondContact O-N 2.87Å; L186-L188 PolarHBondContact O-N 3.39Å; L186-I189 PolarHBondContact O-N 3.14Å; L186-I190 HydrophobicContact CD1-CD1 3.8Å; L186-I190 HydrophobicContact CD1-CG1 4.12Å; L186-I190 HydrophobicContact CD2-CD1 4.31Å; L186-I190 HydrophobicContact CG-CD1 3.69Å; L186-I190 HydrophobicContact CG-CG1 4.37Å; L186-I190 WeakPolarHBondContact O-CB 3.35Å; L186-I190 VanDerWaalsContact O-CG1 3.31Å; L186-I190 WeakPolarHBondContact O-CG1 3.3Å; L186-I190 PolarHBondContact O-N 3.25Å; L186-F215 HydrophobicContact CB-CD2 4.32Å; L186-F215 HydrophobicContact CB-CE2 4.25Å; L186-F215 HydrophobicContact CD1-CE2 4.31Å
187	I	97.4	Very high	95.1	Very high	93 Å²	93	52.4 Å²	52.4	48%	0.477	29%	0.294	S	S	.	.	H	α-helix	trans	-60.1	-46.9	176.5	-70.1	166.7	0	0	0	110.4	T183 L184 C185 I189 I190 T191	T183-I187 HydrophobicContact CG2-CD1 4.07Å; T183-I187 WeakPolarHBondContact O-CG1 2.79Å; T183-I187 PolarHBondContact O-N 2.76Å; L184-I187 PolarHBondContact O-N 3.42Å; C185-I187 PolarHBondContact O-N 2.96Å; I187-I189 PolarHBondContact O-N 3.4Å; I187-I190 PolarHBondContact O-N 3.29Å; I187-T191 HydrophobicContact CG2-CG2 4.23Å; I187-T191 WeakPolarHBondContact O-CB 3.43Å; I187-T191 VanDerWaalsContact O-CG2 3.24Å; I187-T191 WeakPolarHBondContact O-CG2 2.75Å; I187-T191 PolarHBondContact O-N 3.46Å; I187-T191 PolarHBondContact O-OG1 3.08Å
188	L	97	Very high	94.8	Very high	74 Å²	74	53.1 Å²	53.1	39%	0.387	29%	0.291	S	S	.	.	H	α-helix	trans	-63.2	-42.1	178.3	-68.4	174.5	0	0	0	111.8	L184 C185 L186 T191 S192 L211	L184-L188 HydrophobicContact CG-CD1 4.41Å; L184-L188 WeakPolarHBondContact O-CG 3.15Å; L184-L188 PolarHBondContact O-N 2.95Å; C185-L188 PolarHBondContact O-N 2.76Å; L186-L188 PolarHBondContact O-N 3.39Å; L188-T191 PolarHBondContact O-OG1 3.06Å; L188-S192 WeakPolarHBondContact O-CB 3.3Å; L188-S192 PolarHBondContact O-N 2.87Å; L188-S192 PolarHBondContact O-OG 3.32Å; L188-L211 HydrophobicContact CB-CD1 3.87Å; L188-L211 HydrophobicContact CD1-CD1 3.83Å
189	I	97.6	Very high	93.9	Very high	16 Å²	16	60 Å²	60	8%	0.082	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-49.6	176.7	-69	163.2	0	0	0	110.5	C185 L186 I187 S192 S193 T208 L211 F212	C185-I189 WeakPolarHBondContact O-CB 3.47Å; C185-I189 WeakPolarHBondContact O-CD1 3.18Å; C185-I189 WeakPolarHBondContact O-CG1 3.42Å; C185-I189 PolarHBondContact O-N 3.28Å; L186-I189 PolarHBondContact O-N 3.14Å; I187-I189 PolarHBondContact O-N 3.4Å; I189-S192 PolarHBondContact O-OG 3.39Å; I189-S192 VanDerWaalsContact O-OG 3.07Å; I189-S193 WeakPolarHBondContact O-CB 3.3Å; I189-S193 PolarHBondContact O-N 2.75Å; I189-S193 VanDerWaalsContact O-N 3.12Å; I189-S193 PolarHBondContact O-OG 2.81Å; I189-T208 WeakPolarHBondContact CG1-O 3.22Å; I189-L211 HydrophobicContact CD1-CB 3.96Å; I189-L211 HydrophobicContact CG1-CB 3.94Å; I189-F212 HydrophobicContact CD1-CB 4.43Å
190	I	95.9	Very high	93.3	Very high	39 Å²	39	63.4 Å²	63.4	20%	0.2	34%	0.337	C	S	.	.	H	α-helix	trans	-67.1	-47.7	-175.7	-69.1	168.9	0	0	0	111.2	W106 A109 L186 I187 S193 T194	W106-I190 HydrophobicContact CH2-CG2 4.41Å; W106-I190 HydrophobicContact CZ3-CG2 4.38Å; A109-I190 HydrophobicContact CB-CD1 3.49Å; A109-I190 VanDerWaalsContact CB-CD1 3.49Å; L186-I190 HydrophobicContact CD1-CD1 3.8Å; L186-I190 HydrophobicContact CD1-CG1 4.12Å; L186-I190 HydrophobicContact CD2-CD1 4.31Å; L186-I190 HydrophobicContact CG-CD1 3.69Å; L186-I190 HydrophobicContact CG-CG1 4.37Å; L186-I190 WeakPolarHBondContact O-CB 3.35Å; L186-I190 VanDerWaalsContact O-CG1 3.31Å; L186-I190 WeakPolarHBondContact O-CG1 3.3Å; L186-I190 PolarHBondContact O-N 3.25Å; I187-I190 PolarHBondContact O-N 3.29Å; I190-S193 PolarHBondContact O-N 3.21Å; I190-T194 PolarHBondContact O-N 2.86Å
191	T	94.9	Very high	92.8	Very high	65 Å²	65	66.5 Å²	66.5	40%	0.399	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-51.2	-176.9	49.8	0	0	0	0	110.9	I187 L188 S193 T194 I197	I187-T191 HydrophobicContact CG2-CG2 4.23Å; I187-T191 WeakPolarHBondContact O-CB 3.43Å; I187-T191 VanDerWaalsContact O-CG2 3.24Å; I187-T191 WeakPolarHBondContact O-CG2 2.75Å; I187-T191 PolarHBondContact O-N 3.46Å; I187-T191 PolarHBondContact O-OG1 3.08Å; L188-T191 PolarHBondContact O-OG1 3.06Å; T191-S193 PolarHBondContact O-N 3.29Å; T191-T194 WeakPolarHBondContact O-CB 3.41Å; T191-T194 VanDerWaalsContact O-CG2 3.26Å; T191-T194 WeakPolarHBondContact O-CG2 3.44Å; T191-T194 PolarHBondContact O-N 2.89Å; T191-T194 PolarHBondContact O-OG1 2.98Å; T191-I197 WeakPolarHBondContact O-CD1 3.29Å
192	S	95.4	Very high	92	Very high	6 Å²	6	68.2 Å²	68.2	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-63.9	-24.8	177.1	60.8	0	0	0	0	114.2	L188 I189 T194 T208	L188-S192 WeakPolarHBondContact O-CB 3.3Å; L188-S192 PolarHBondContact O-N 2.87Å; L188-S192 PolarHBondContact O-OG 3.32Å; I189-S192 PolarHBondContact O-OG 3.39Å; I189-S192 VanDerWaalsContact O-OG 3.07Å; S192-T194 VanDerWaalsContact C-N 3.31Å; S192-T194 PolarHBondContact O-N 2.9Å; S192-T208 WeakPolarHBondContact CB-OG1 3.44Å; S192-T208 WeakPolarHBondContact OG-CB 3.2Å; S192-T208 PolarHBondContact OG-OG1 3.04Å
193	S	94.6	Very high	91.4	Very high	36 Å²	36	71.1 Å²	71.1	25%	0.252	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.4	178.1	-57.8	0	0	0	0	114.5	I189 I190 T191 H209	I189-S193 WeakPolarHBondContact O-CB 3.3Å; I189-S193 PolarHBondContact O-N 2.75Å; I189-S193 VanDerWaalsContact O-N 3.12Å; I189-S193 PolarHBondContact O-OG 2.81Å; I190-S193 PolarHBondContact O-N 3.21Å; T191-S193 PolarHBondContact O-N 3.29Å; S193-H209 PolarHBondContact OG-CE1 2.64Å; S193-H209 PolarHBondContact OG-ND1 3.5Å
194	T	92.4	Very high	91	Very high	51 Å²	51	73 Å²	73	31%	0.313	37%	0.367	S	S	.	.	S	Bend	trans	-62.5	150.7	176.2	58	0	0	0	0	112	I190 T191 S192 T196 I197 R198	I190-T194 PolarHBondContact O-N 2.86Å; T191-T194 WeakPolarHBondContact O-CB 3.41Å; T191-T194 VanDerWaalsContact O-CG2 3.26Å; T191-T194 WeakPolarHBondContact O-CG2 3.44Å; T191-T194 PolarHBondContact O-N 2.89Å; T191-T194 PolarHBondContact O-OG1 2.98Å; S192-T194 VanDerWaalsContact C-N 3.31Å; S192-T194 PolarHBondContact O-N 2.9Å; T194-T196 PolarHBondContact O-N 3.45Å; T194-I197 PolarHBondContact O-N 3.06Å; T194-R198 VanDerWaalsContact O-CB 3.29Å; T194-R198 WeakPolarHBondContact O-CB 3.38Å; T194-R198 PolarHBondContact O-N 3.05Å
195	K	87.9	Confident	90.7	Very high	114 Å²	114	69.7 Å²	69.7	50%	0.496	35%	0.348	S	S	.	.	H	α-helix	trans	-57.5	-35.4	-176.6	-174.8	177.8	178.7	-180	0	112.4	R199	K195-R199 VanDerWaalsContact CE-CZ 3.44Å; K195-R199 VanDerWaalsContact O-CB 3.31Å; K195-R199 WeakPolarHBondContact O-CB 3.2Å; K195-R199 VanDerWaalsContact O-CG 3.3Å; K195-R199 WeakPolarHBondContact O-CG 3.45Å; K195-R199 PolarHBondContact O-N 3.43Å
196	T	88.9	Confident	90.3	Very high	110 Å²	110	73.4 Å²	73.4	68%	0.675	36%	0.361	S	S	*	.	H	α-helix	trans	-67.4	-54.2	179.9	-47.9	0	0	0	0	111.1	T194 R199 S200	T194-T196 PolarHBondContact O-N 3.45Å; T196-R199 PolarHBondContact O-N 3.15Å; T196-S200 PolarHBondContact O-N 3.02Å; T196-S200 PolarHBondContact O-OG 3.43Å
197	I	88.9	Confident	89.9	Confident	59 Å²	59	78.5 Å²	78.5	30%	0.303	38%	0.38	S	S	.	.	H	α-helix	trans	-67.1	-46.9	-178.5	-65.6	176.5	0	0	0	110.6	T191 T194 R199 S200 Y201	T191-I197 WeakPolarHBondContact O-CD1 3.29Å; T194-I197 PolarHBondContact O-N 3.06Å; I197-R199 PolarHBondContact O-N 2.83Å; I197-S200 PolarHBondContact O-N 3.38Å; I197-Y201 CarbonylContact O-C 3.58Å; I197-Y201 WeakPolarHBondContact O-CA 3.24Å; I197-Y201 PolarHBondContact O-N 2.94Å
198	R	87.8	Confident	89.8	Confident	91 Å²	91	75.6 Å²	75.6	34%	0.343	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-30.8	-178.5	-172.3	-179.6	69.2	102.7	6.2	113.7	T194 F202 F205	T194-R198 VanDerWaalsContact O-CB 3.29Å; T194-R198 WeakPolarHBondContact O-CB 3.38Å; T194-R198 PolarHBondContact O-N 3.05Å; R198-F202 HydrophobicContact CG-CD2 4.16Å; R198-F202 HydrophobicContact CG-CE2 4.5Å; R198-F205 HydrophobicContact CB-CB 4.33Å; R198-F205 HydrophobicContact CB-CG 4.3Å; R198-F205 HydrophobicContact CG-CB 4.21Å; R198-F205 HydrophobicContact CG-CD1 3.8Å; R198-F205 HydrophobicContact CG-CD2 4.24Å; R198-F205 HydrophobicContact CG-CE1 4.22Å; R198-F205 HydrophobicContact CG-CG 3.79Å
199	R	78.9	Confident	89.7	Confident	157 Å²	157	74.3 Å²	74.3	59%	0.592	36%	0.358	S	S	*	.	H	α-helix	trans	-78.8	-34.9	178.7	-81.4	-174.8	167.4	-169.6	-4.7	113	K195 T196 I197	K195-R199 VanDerWaalsContact CE-CZ 3.44Å; K195-R199 VanDerWaalsContact O-CB 3.31Å; K195-R199 WeakPolarHBondContact O-CB 3.2Å; K195-R199 VanDerWaalsContact O-CG 3.3Å; K195-R199 WeakPolarHBondContact O-CG 3.45Å; K195-R199 PolarHBondContact O-N 3.43Å; T196-R199 PolarHBondContact O-N 3.15Å; I197-R199 PolarHBondContact O-N 2.83Å
200	S	82	Confident	89.6	Confident	86 Å²	86	76.8 Å²	76.8	60%	0.601	37%	0.37	S	S	*	.	H	α-helix	trans	-93.1	-31.3	-177.4	-56.5	0	0	0	0	113.2	T196 I197	T196-S200 PolarHBondContact O-N 3.02Å; T196-S200 PolarHBondContact O-OG 3.43Å; I197-S200 PolarHBondContact O-N 3.38Å
201	Y	84.4	Confident	89.6	Confident	155 Å²	155	77 Å²	77	61%	0.608	37%	0.371	S	S	*	.			trans	-137	69.5	-173	-57.7	-75.1	0	0	0	110.5	I197 E203 V204 F205	I197-Y201 CarbonylContact O-C 3.58Å; I197-Y201 WeakPolarHBondContact O-CA 3.24Å; I197-Y201 PolarHBondContact O-N 2.94Å; Y201-E203 VanDerWaalsContact C-N 3.32Å; Y201-E203 PolarHBondContact O-N 3.18Å; Y201-V204 PolarHBondContact O-N 3.26Å; Y201-F205 PolarHBondContact O-N 3.41Å
202	F	80.6	Confident	89.7	Confident	102 Å²	102	75.8 Å²	75.8	45%	0.447	36%	0.36	S	S	.	.	H	α-helix	trans	-62	-38.1	-176.6	-173.5	-95.6	0	0	0	113	R198 V204 F205 W206	R198-F202 HydrophobicContact CG-CD2 4.16Å; R198-F202 HydrophobicContact CG-CE2 4.5Å; F202-V204 PolarHBondContact O-N 3.37Å; F202-F205 AromaticContact CD2-CD1 3.93Å; F202-F205 HydrophobicContact CD2-CD1 3.93Å; F202-F205 HydrophobicContact CD2-CE1 4.42Å; F202-F205 AromaticContact CE2-CD1 3.75Å; F202-F205 HydrophobicContact CE2-CD1 3.75Å; F202-F205 AromaticContact CE2-CE1 3.79Å; F202-F205 HydrophobicContact CE2-CE1 3.79Å; F202-F205 HydrophobicContact CZ-CD1 4.18Å; F202-F205 HydrophobicContact CZ-CE1 4.09Å; F202-F205 WeakPolarHBondContact O-CB 3.36Å; F202-F205 PolarHBondContact O-N 3.32Å; F202-W206 HydrophobicContact CE1-CB 4.43Å; F202-W206 PolarHBondContact O-N 2.99Å
203	E	84.6	Confident	89.7	Confident	75 Å²	75	78.9 Å²	78.9	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-60.7	-44.4	177.7	-67.6	-53.2	117.1	0	0	112.1	Y201 F205 W206 Y207	Y201-E203 VanDerWaalsContact C-N 3.32Å; Y201-E203 PolarHBondContact O-N 3.18Å; E203-F205 VanDerWaalsContact C-N 3.32Å; E203-F205 PolarHBondContact O-N 2.78Å; E203-W206 PolarHBondContact O-N 3.23Å; E203-Y207 HydrophobicContact CB-CD2 4.38Å; E203-Y207 HydrophobicContact CB-CE2 4.25Å; E203-Y207 WeakPolarHBondContact O-CD2 3.26Å; E203-Y207 PolarHBondContact O-N 3.25Å; E203-Y207 VanDerWaalsContact OE2-CE2 3.3Å; E203-Y207 WeakPolarHBondContact OE2-CE2 3.4Å
204	V	89.6	Confident	89.7	Confident	72 Å²	72	81 Å²	81	44%	0.436	39%	0.387	S	S	.	.	H	α-helix	trans	-56.9	-50.6	176.4	175.6	0	0	0	0	109.6	Y201 F202 W206 T208	Y201-V204 PolarHBondContact O-N 3.26Å; F202-V204 PolarHBondContact O-N 3.37Å; V204-W206 VanDerWaalsContact C-N 3.32Å; V204-W206 PolarHBondContact O-N 3.02Å; V204-T208 HydrophobicContact CG1-CG2 4.3Å; V204-T208 WeakPolarHBondContact O-CB 3.41Å; V204-T208 WeakPolarHBondContact O-CG2 3.22Å; V204-T208 PolarHBondContact O-N 2.82Å; V204-T208 VanDerWaalsContact O-N 3.08Å; V204-T208 PolarHBondContact O-OG1 3.44Å
205	F	91.1	Very high	90	Very high	36 Å²	36	79.4 Å²	79.4	16%	0.158	38%	0.375	C	S	.	.	H	α-helix	trans	-52.7	-49.5	173.5	156.1	-104.4	0	0	0	111.7	R198 Y201 F202 E203 T208 H209	R198-F205 HydrophobicContact CB-CB 4.33Å; R198-F205 HydrophobicContact CB-CG 4.3Å; R198-F205 HydrophobicContact CG-CB 4.21Å; R198-F205 HydrophobicContact CG-CD1 3.8Å; R198-F205 HydrophobicContact CG-CD2 4.24Å; R198-F205 HydrophobicContact CG-CE1 4.22Å; R198-F205 HydrophobicContact CG-CG 3.79Å; Y201-F205 PolarHBondContact O-N 3.41Å; F202-F205 AromaticContact CD2-CD1 3.93Å; F202-F205 HydrophobicContact CD2-CD1 3.93Å; F202-F205 HydrophobicContact CD2-CE1 4.42Å; F202-F205 AromaticContact CE2-CD1 3.75Å; F202-F205 HydrophobicContact CE2-CD1 3.75Å; F202-F205 AromaticContact CE2-CE1 3.79Å; F202-F205 HydrophobicContact CE2-CE1 3.79Å; F202-F205 HydrophobicContact CZ-CD1 4.18Å; F202-F205 HydrophobicContact CZ-CE1 4.09Å; F202-F205 WeakPolarHBondContact O-CB 3.36Å; F202-F205 PolarHBondContact O-N 3.32Å; E203-F205 VanDerWaalsContact C-N 3.32Å; E203-F205 PolarHBondContact O-N 2.78Å; F205-T208 PolarHBondContact O-OG1 3.23Å; F205-H209 HydrophobicContact CE2-CB 4.26Å; F205-H209 AromaticContact CE2-CG 4Å; F205-H209 AromaticContact CE2-ND1 3.63Å; F205-H209 WeakPolarHBondContact O-CB 3.31Å; F205-H209 PolarHBondContact O-N 2.83Å
206	W	87.9	Confident	90.3	Very high	88 Å²	88	74.4 Å²	74.4	33%	0.333	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-48.6	-173.8	-169	96.4	0	0	0	112	F202 E203 V204 H210	F202-W206 HydrophobicContact CE1-CB 4.43Å; F202-W206 PolarHBondContact O-N 2.99Å; E203-W206 PolarHBondContact O-N 3.23Å; V204-W206 VanDerWaalsContact C-N 3.32Å; V204-W206 PolarHBondContact O-N 3.02Å; W206-H210 AromaticContact CD2-CE1 3.59Å; W206-H210 AromaticContact CD2-ND1 3.93Å; W206-H210 AromaticContact CE2-CE1 3.37Å; W206-H210 AromaticContact CE3-CE1 3.76Å; W206-H210 AromaticContact CE3-ND1 3.79Å; W206-H210 AromaticContact CH2-CE1 3.5Å; W206-H210 AromaticContact CH2-NE2 3.96Å; W206-H210 AromaticContact CZ2-CE1 3.34Å; W206-H210 WeakPolarHBondContact CZ2-CE1 3.42Å; W206-H210 AromaticContact CZ2-NE2 3.87Å; W206-H210 AromaticContact CZ3-CE1 3.71Å; W206-H210 AromaticContact CZ3-ND1 3.87Å; W206-H210 PolarHBondContact O-ND1 3Å
207	Y	90.8	Very high	90.6	Very high	123 Å²	123	74 Å²	74	48%	0.482	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-45	-178.6	-72.2	-69.5	0	0	0	112.5	E203 H209 H210	E203-Y207 HydrophobicContact CB-CD2 4.38Å; E203-Y207 HydrophobicContact CB-CE2 4.25Å; E203-Y207 WeakPolarHBondContact O-CD2 3.26Å; E203-Y207 PolarHBondContact O-N 3.25Å; E203-Y207 VanDerWaalsContact OE2-CE2 3.3Å; E203-Y207 WeakPolarHBondContact OE2-CE2 3.4Å; Y207-H209 VanDerWaalsContact C-N 3.3Å; Y207-H209 PolarHBondContact O-N 2.82Å; Y207-H210 PolarHBondContact O-N 3.09Å
208	T	95.1	Very high	90.9	Very high	32 Å²	32	71.6 Å²	71.6	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-67.5	-32.5	179.1	55.4	0	0	0	0	111.9	I189 S192 V204 F205 H210 L211	I189-T208 WeakPolarHBondContact CG1-O 3.22Å; S192-T208 WeakPolarHBondContact CB-OG1 3.44Å; S192-T208 WeakPolarHBondContact OG-CB 3.2Å; S192-T208 PolarHBondContact OG-OG1 3.04Å; V204-T208 HydrophobicContact CG1-CG2 4.3Å; V204-T208 WeakPolarHBondContact O-CB 3.41Å; V204-T208 WeakPolarHBondContact O-CG2 3.22Å; V204-T208 PolarHBondContact O-N 2.82Å; V204-T208 VanDerWaalsContact O-N 3.08Å; V204-T208 PolarHBondContact O-OG1 3.44Å; F205-T208 PolarHBondContact O-OG1 3.23Å; T208-H210 PolarHBondContact O-N 3.27Å; T208-L211 WeakPolarHBondContact O-CB 3.38Å; T208-L211 WeakPolarHBondContact O-CG 3.21Å; T208-L211 PolarHBondContact O-N 3.28Å; T208-L211 VanDerWaalsContact O-N 3.08Å
209	H	95.6	Very high	91.2	Very high	47 Å²	47	68 Å²	68	22%	0.218	32%	0.323	C	S	.	.	H	α-helix	trans	-63.7	-29.9	179	-150.4	82.9	0	0	0	111.6	S193 F205 Y207 L211 F212	S193-H209 PolarHBondContact OG-CE1 2.64Å; S193-H209 PolarHBondContact OG-ND1 3.5Å; F205-H209 HydrophobicContact CE2-CB 4.26Å; F205-H209 AromaticContact CE2-CG 4Å; F205-H209 AromaticContact CE2-ND1 3.63Å; F205-H209 WeakPolarHBondContact O-CB 3.31Å; F205-H209 PolarHBondContact O-N 2.83Å; Y207-H209 VanDerWaalsContact C-N 3.3Å; Y207-H209 PolarHBondContact O-N 2.82Å; H209-L211 PolarHBondContact O-N 3.31Å; H209-L211 VanDerWaalsContact O-N 3.16Å; H209-F212 VanDerWaalsContact O-CD1 3.23Å; H209-F212 WeakPolarHBondContact O-CD1 3.48Å; H209-F212 PolarHBondContact O-N 3.46Å; H209-F212 VanDerWaalsContact O-N 3.09Å
210	H	94.6	Very high	91.9	Very high	69 Å²	69	62.3 Å²	62.3	32%	0.319	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.1	175.5	-75.2	82.4	0	0	0	114.4	W206 Y207 T208 F212 V213	W206-H210 AromaticContact CD2-CE1 3.59Å; W206-H210 AromaticContact CD2-ND1 3.93Å; W206-H210 AromaticContact CE2-CE1 3.37Å; W206-H210 AromaticContact CE3-CE1 3.76Å; W206-H210 AromaticContact CE3-ND1 3.79Å; W206-H210 AromaticContact CH2-CE1 3.5Å; W206-H210 AromaticContact CH2-NE2 3.96Å; W206-H210 AromaticContact CZ2-CE1 3.34Å; W206-H210 WeakPolarHBondContact CZ2-CE1 3.42Å; W206-H210 AromaticContact CZ2-NE2 3.87Å; W206-H210 AromaticContact CZ3-CE1 3.71Å; W206-H210 AromaticContact CZ3-ND1 3.87Å; W206-H210 PolarHBondContact O-ND1 3Å; Y207-H210 PolarHBondContact O-N 3.09Å; T208-H210 PolarHBondContact O-N 3.27Å; H210-F212 PolarHBondContact O-N 3.08Å; H210-V213 PolarHBondContact O-N 3.45Å
211	L	96.8	Very high	92.5	Very high	42 Å²	42	61.9 Å²	61.9	22%	0.22	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-12	168.2	-63.6	174.4	0	0	0	112.4	C185 L188 I189 T208 H209 V213 I214 F215	C185-L211 HydrophobicContact CB-CB 4.35Å; L188-L211 HydrophobicContact CB-CD1 3.87Å; L188-L211 HydrophobicContact CD1-CD1 3.83Å; I189-L211 HydrophobicContact CD1-CB 3.96Å; I189-L211 HydrophobicContact CG1-CB 3.94Å; T208-L211 WeakPolarHBondContact O-CB 3.38Å; T208-L211 WeakPolarHBondContact O-CG 3.21Å; T208-L211 PolarHBondContact O-N 3.28Å; T208-L211 VanDerWaalsContact O-N 3.08Å; H209-L211 PolarHBondContact O-N 3.31Å; H209-L211 VanDerWaalsContact O-N 3.16Å; L211-V213 PolarHBondContact O-N 2.87Å; L211-V213 VanDerWaalsContact O-N 3.13Å; L211-I214 HydrophobicContact CD2-CD1 3.93Å; L211-I214 PolarHBondContact O-N 3.38Å; L211-I214 VanDerWaalsContact O-N 3.07Å; L211-F215 PolarHBondContact O-N 3.24Å
212	F	95.7	Very high	93	Very high	40 Å²	40	56.1 Å²	56.1	18%	0.175	28%	0.279	C	S	.	.	H	α-helix	trans	-52	-32	169.3	84.3	-98.7	0	0	0	112	I189 H209 H210 F215 F216 Y280	I189-F212 HydrophobicContact CD1-CB 4.43Å; H209-F212 VanDerWaalsContact O-CD1 3.23Å; H209-F212 WeakPolarHBondContact O-CD1 3.48Å; H209-F212 PolarHBondContact O-N 3.46Å; H209-F212 VanDerWaalsContact O-N 3.09Å; H210-F212 PolarHBondContact O-N 3.08Å; F212-F215 WeakPolarHBondContact O-CB 3.32Å; F212-F215 PolarHBondContact O-N 2.74Å; F212-F216 HydrophobicContact CD2-CD2 4.07Å; F212-F216 HydrophobicContact CD2-CE2 4.43Å; F212-F216 VanDerWaalsContact O-CD2 3.29Å; F212-F216 WeakPolarHBondContact O-CD2 3.24Å; F212-F216 PolarHBondContact O-N 3.45Å; F212-Y280 AromaticContact CE2-CE1 3.82Å; F212-Y280 HydrophobicContact CE2-CE1 3.82Å; F212-Y280 AromaticContact CZ-CE1 3.78Å; F212-Y280 HydrophobicContact CZ-CE1 3.78Å; F212-Y280 AromaticContact CZ-CZ 3.87Å; F212-Y280 VanDerWaalsContact CZ-OH 3.22Å; F212-Y280 WeakPolarHBondContact CZ-OH 3.26Å
213	V	95	Very high	93.5	Very high	71 Å²	71	52.7 Å²	52.7	43%	0.43	27%	0.272	S	S	.	.	H	α-helix	trans	-62.6	-48.9	177.7	178.3	0	0	0	0	110.6	H210 L211 F215 F216 I217	H210-V213 PolarHBondContact O-N 3.45Å; L211-V213 PolarHBondContact O-N 2.87Å; L211-V213 VanDerWaalsContact O-N 3.13Å; V213-F215 VanDerWaalsContact C-N 3.34Å; V213-F216 PolarHBondContact O-N 3.09Å; V213-I217 HydrophobicContact CG1-CD1 4.02Å; V213-I217 WeakPolarHBondContact O-CG1 3.44Å; V213-I217 PolarHBondContact O-N 3.42Å; V213-I217 VanDerWaalsContact O-N 3.09Å
214	I	96.3	Very high	93.8	Very high	82 Å²	82	51.3 Å²	51.3	42%	0.421	27%	0.274	S	S	.	.	H	α-helix	trans	-65	-41.9	177.2	-60.5	175.9	0	0	0	109.8	V181 L211 F216 I217 G218	V181-I214 HydrophobicContact CG1-CG2 4.15Å; L211-I214 HydrophobicContact CD2-CD1 3.93Å; L211-I214 PolarHBondContact O-N 3.38Å; L211-I214 VanDerWaalsContact O-N 3.07Å; I214-F216 PolarHBondContact O-N 3.39Å; I214-I217 PolarHBondContact O-N 3.46Å; I214-G218 PolarHBondContact O-N 2.62Å
215	F	96.8	Very high	93.8	Very high	17 Å²	17	49.9 Å²	49.9	8%	0.075	26%	0.262	C	S	.	.	H	α-helix	trans	-55.8	-49.4	175.9	173.7	-92.3	0	0	0	112.2	I182 C185 L186 L211 F212 V213 G218 L219	I182-F215 HydrophobicContact CB-CD2 4.14Å; C185-F215 HydrophobicContact CB-CB 4.47Å; L186-F215 HydrophobicContact CB-CD2 4.32Å; L186-F215 HydrophobicContact CB-CE2 4.25Å; L186-F215 HydrophobicContact CD1-CE2 4.31Å; L211-F215 PolarHBondContact O-N 3.24Å; F212-F215 WeakPolarHBondContact O-CB 3.32Å; F212-F215 PolarHBondContact O-N 2.74Å; V213-F215 VanDerWaalsContact C-N 3.34Å; F215-G218 PolarHBondContact O-N 2.56Å; F215-L219 HydrophobicContact CE1-CD2 3.95Å; F215-L219 HydrophobicContact CZ-CD2 4.26Å; F215-L219 WeakPolarHBondContact O-CB 3.44Å; F215-L219 PolarHBondContact O-N 2.92Å
216	F	95.8	Very high	93.9	Very high	8 Å²	8	54 Å²	54	4%	0.035	28%	0.277	C	S	.	.	H	α-helix	trans	-70.1	-37.2	-179.2	-87.6	-79.2	0	0	0	113.1	C64 I67 L68 F212 V213 I214 L219 A220 I273 M277	C64-F216 HydrophobicContact CB-CE1 4.37Å; I67-F216 HydrophobicContact CG2-CE2 4.31Å; I67-F216 HydrophobicContact CG2-CZ 3.75Å; L68-F216 HydrophobicContact CD1-CE1 4.23Å; L68-F216 HydrophobicContact CD1-CE2 4.07Å; L68-F216 HydrophobicContact CD1-CZ 3.81Å; L68-F216 HydrophobicContact CD2-CE2 3.86Å; L68-F216 HydrophobicContact CD2-CZ 4.16Å; L68-F216 HydrophobicContact CG-CE2 4.02Å; L68-F216 HydrophobicContact CG-CZ 3.79Å; F212-F216 HydrophobicContact CD2-CD2 4.07Å; F212-F216 HydrophobicContact CD2-CE2 4.43Å; F212-F216 VanDerWaalsContact O-CD2 3.29Å; F212-F216 WeakPolarHBondContact O-CD2 3.24Å; F212-F216 PolarHBondContact O-N 3.45Å; V213-F216 PolarHBondContact O-N 3.09Å; I214-F216 PolarHBondContact O-N 3.39Å; F216-L219 PolarHBondContact O-N 3.47Å; F216-A220 PolarHBondContact O-N 3.03Å; F216-I273 HydrophobicContact CD1-CB 4.26Å; F216-I273 HydrophobicContact CD1-CD1 4.44Å; F216-I273 HydrophobicContact CD1-CG2 4.22Å; F216-I273 HydrophobicContact CE1-CB 4.3Å; F216-I273 HydrophobicContact CE1-CG2 4.02Å; F216-M277 HydrophobicContact CB-CE 4.1Å; F216-M277 HydrophobicContact CB-SD 4.13Å; F216-M277 HydrophobicContact CD1-CG 4.21Å; F216-M277 HydrophobicContact CD1-SD 3.88Å; F216-M277 HydrophobicContact CG-SD 4.27Å
217	I	94.3	Very high	93.9	Very high	101 Å²	101	51.3 Å²	51.3	52%	0.518	27%	0.268	S	S	.	.	H	α-helix	trans	-62	-50.1	173.5	-68.6	168.6	0	0	0	109.8	V213 I214 L219 A220 I221	V213-I217 HydrophobicContact CG1-CD1 4.02Å; V213-I217 WeakPolarHBondContact O-CG1 3.44Å; V213-I217 PolarHBondContact O-N 3.42Å; V213-I217 VanDerWaalsContact O-N 3.09Å; I214-I217 PolarHBondContact O-N 3.46Å; I217-L219 VanDerWaalsContact C-N 3.35Å; I217-L219 PolarHBondContact O-N 2.9Å; I217-A220 WeakPolarHBondContact O-CB 3.3Å; I217-A220 PolarHBondContact O-N 3.35Å; I217-I221 PolarHBondContact O-N 2.74Å
218	G	94.8	Very high	93.9	Very high	9 Å²	9	46.1 Å²	46.1	9%	0.093	25%	0.25	C	C	.	.	H	α-helix	trans	-60	-43.8	177.5	0	0	0	0	0	112.1	I214 F215 A220 I221 H222	I214-G218 PolarHBondContact O-N 2.62Å; F215-G218 PolarHBondContact O-N 2.56Å; G218-A220 VanDerWaalsContact C-N 3.31Å; G218-A220 PolarHBondContact O-N 3.07Å; G218-I221 VanDerWaalsContact O-CG1 3.32Å; G218-I221 WeakPolarHBondContact O-CG1 3.33Å; G218-I221 PolarHBondContact O-N 3.09Å; G218-H222 VanDerWaalsContact O-CB 3.25Å; G218-H222 WeakPolarHBondContact O-CB 3.35Å; G218-H222 PolarHBondContact O-N 2.61Å
219	L	94.7	Very high	93.8	Very high	15 Å²	15	46.4 Å²	46.4	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-61.4	-37.2	177.9	-178.1	61.1	0	0	0	112.4	C64 F215 F216 I217 I221 T269 I273	C64-L219 HydrophobicContact CB-CD2 3.86Å; F215-L219 HydrophobicContact CE1-CD2 3.95Å; F215-L219 HydrophobicContact CZ-CD2 4.26Å; F215-L219 WeakPolarHBondContact O-CB 3.44Å; F215-L219 PolarHBondContact O-N 2.92Å; F216-L219 PolarHBondContact O-N 3.47Å; I217-L219 VanDerWaalsContact C-N 3.35Å; I217-L219 PolarHBondContact O-N 2.9Å; L219-I221 VanDerWaalsContact C-N 3.34Å; L219-I221 PolarHBondContact O-N 3.46Å; L219-T269 HydrophobicContact CD1-CG2 3.9Å; L219-T269 HydrophobicContact CD2-CG2 4.3Å; L219-T269 HydrophobicContact CG-CG2 3.62Å; L219-T269 WeakPolarHBondContact O-CG2 3.43Å; L219-I273 HydrophobicContact CD2-CG2 4.3Å
220	A	93.4	Very high	93.6	Very high	38 Å²	38	44.1 Å²	44.1	31%	0.314	24%	0.237	S	C	.	.	H	α-helix	trans	-63.5	-38.6	177.5	0	0	0	0	0	112.7	F216 I217 G218 I273	F216-A220 PolarHBondContact O-N 3.03Å; I217-A220 WeakPolarHBondContact O-CB 3.3Å; I217-A220 PolarHBondContact O-N 3.35Å; G218-A220 VanDerWaalsContact C-N 3.31Å; G218-A220 PolarHBondContact O-N 3.07Å; A220-I273 HydrophobicContact CB-CD1 3.8Å
221	I	94.3	Very high	93.5	Very high	78 Å²	78	40.9 Å²	40.9	40%	0.4	22%	0.222	S	C	.	.	H	α-helix	trans	-94.8	-17.2	-177	64.6	172.4	0	0	0	113.6	T178 I217 G218 L219 G223 A224	T178-I221 HydrophobicContact CG2-CD1 3.8Å; T178-I221 HydrophobicContact CG2-CG1 3.87Å; I217-I221 PolarHBondContact O-N 2.74Å; G218-I221 VanDerWaalsContact O-CG1 3.32Å; G218-I221 WeakPolarHBondContact O-CG1 3.33Å; G218-I221 PolarHBondContact O-N 3.09Å; L219-I221 VanDerWaalsContact C-N 3.34Å; L219-I221 PolarHBondContact O-N 3.46Å; I221-G223 VanDerWaalsContact C-N 3.25Å; I221-G223 PolarHBondContact O-N 2.96Å; I221-G223 VanDerWaalsContact O-N 3.16Å; I221-A224 WeakPolarHBondContact O-CB 3.23Å; I221-A224 PolarHBondContact O-N 3.46Å
222	H	94.6	Very high	93.3	Very high	34 Å²	34	40 Å²	40	16%	0.157	22%	0.218	C	C	.	.	H	α-helix	trans	-54.8	-39.2	-174.5	177.5	65.5	0	0	0	113.3	H115 A175 T178 G179 I182 G218	H115-H222 AromaticContact NE2-NE2 3.85Å; A175-H222 PolarHBondContact O-CE1 3.32Å; A175-H222 PolarHBondContact O-ND1 3.15Å; A175-H222 VanDerWaalsContact O-ND1 3.16Å; T178-H222 WeakPolarHBondContact OG1-CA 3.22Å; T178-H222 PolarHBondContact OG1-ND1 3.03Å; G179-H222 PolarHBondContact N-ND1 3.04Å; I182-H222 HydrophobicContact CD1-CB 4.34Å; G218-H222 VanDerWaalsContact O-CB 3.25Å; G218-H222 WeakPolarHBondContact O-CB 3.35Å; G218-H222 PolarHBondContact O-N 2.61Å
223	G	91.4	Very high	93	Very high	29 Å²	29	46 Å²	46	30%	0.299	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-0.4	177.8	0	0	0	0	0	115.6	I221 E225 R226	I221-G223 VanDerWaalsContact C-N 3.25Å; I221-G223 PolarHBondContact O-N 2.96Å; I221-G223 VanDerWaalsContact O-N 3.16Å; G223-E225 VanDerWaalsContact C-N 3.32Å; G223-E225 PolarHBondContact O-N 3.22Å; G223-R226 PolarHBondContact O-N 3.07Å
224	A	91.8	Very high	92.8	Very high	47 Å²	47	47.7 Å²	47.7	39%	0.388	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-29.3	-169.1	0	0	0	0	0	113.6	L174 I221 R226	L174-A224 HydrophobicContact CD2-CB 4.06Å; I221-A224 WeakPolarHBondContact O-CB 3.23Å; I221-A224 PolarHBondContact O-N 3.46Å; A224-R226 WeakPolarHBondContact O-CG 3.41Å; A224-R226 PolarHBondContact O-N 3.16Å
225	E	89.7	Confident	92.5	Very high	41 Å²	41	44.2 Å²	44.2	19%	0.192	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-15	179.5	-169.6	176.1	-169.9	0	0	113.5	R173 L174 A175 G223 I227	R173-E225 WeakPolarHBondContact CD-OE1 3.43Å; R173-E225 IonicContact NE-OE1 3.65Å; R173-E225 IonicContact NH1-OE1 2.62Å; R173-E225 PolarHBondContact NH1-OE1 3.19Å; L174-E225 HydrophobicContact CB-CB 4.22Å; L174-E225 HydrophobicContact CD2-CB 4.38Å; L174-E225 PolarHBondContact N-OE2 2.64Å; A175-E225 PolarHBondContact N-OE2 2.63Å; G223-E225 VanDerWaalsContact C-N 3.32Å; G223-E225 PolarHBondContact O-N 3.22Å; E225-I227 VanDerWaalsContact C-N 3.28Å; E225-I227 HydrophobicContact CB-CG2 3.98Å; E225-I227 HydrophobicContact CG-CG2 3.63Å; E225-I227 PolarHBondContact O-N 3.03Å
226	R	91.8	Very high	92.3	Very high	123 Å²	123	46 Å²	46	46%	0.464	24%	0.243	S	C	.	.			trans	54.5	40.4	177.8	-45	-174.2	-175	-178.3	0.8	113.7	G223 A224 V228 G264 N265	G223-R226 PolarHBondContact O-N 3.07Å; A224-R226 WeakPolarHBondContact O-CG 3.41Å; A224-R226 PolarHBondContact O-N 3.16Å; R226-V228 PolarHBondContact O-N 3.21Å; R226-V228 VanDerWaalsContact O-N 3.16Å; R226-G264 VanDerWaalsContact O-CA 3.31Å; R226-G264 WeakPolarHBondContact O-CA 3.3Å; R226-N265 WeakPolarHBondContact CB-O 3.46Å; R226-N265 WeakPolarHBondContact CD-O 3.4Å; R226-N265 VanDerWaalsContact CG-O 3.27Å; R226-N265 WeakPolarHBondContact CG-O 3.44Å
227	I	89.3	Confident	92	Very high	31 Å²	31	53.1 Å²	53.1	16%	0.159	28%	0.277	C	S	.	.			trans	-61.6	-22.5	-177.8	58.9	162.1	0	0	0	114.2	F155 A175 E225 R229	F155-I227 HydrophobicContact CD1-CB 4.35Å; A175-I227 HydrophobicContact CB-CD1 3.63Å; A175-I227 HydrophobicContact CB-CG1 4.11Å; A175-I227 HydrophobicContact CB-CG2 4.18Å; E225-I227 VanDerWaalsContact C-N 3.28Å; E225-I227 HydrophobicContact CB-CG2 3.98Å; E225-I227 HydrophobicContact CG-CG2 3.63Å; E225-I227 PolarHBondContact O-N 3.03Å; I227-R229 PolarHBondContact O-N 3.17Å
228	V	90.6	Very high	91.9	Very high	15 Å²	15	55.3 Å²	55.3	9%	0.091	28%	0.283	C	S	.	.			trans	-87.2	106	175.7	179	0	0	0	0	108.5	Y33 L50 R54 R226 N265	Y33-V228 HydrophobicContact CE1-CG1 3.98Å; L50-V228 HydrophobicContact CD1-CG1 3.86Å; R54-V228 HydrophobicContact CG-CG1 4.36Å; R226-V228 PolarHBondContact O-N 3.21Å; R226-V228 VanDerWaalsContact O-N 3.16Å; V228-N265 PolarHBondContact O-N 2.7Å; V228-N265 VanDerWaalsContact O-N 3.11Å
229	R	92.3	Very high	91.6	Very high	37 Å²	37	54.9 Å²	54.9	14%	0.14	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	150.1	-173.8	-57.5	-169.3	157.6	-143.6	-5	111.6	T42 Y152 L153 I227 F262 S263	T42-R229 VanDerWaalsContact CG2-O 3.27Å; T42-R229 WeakPolarHBondContact CG2-O 3.37Å; T42-R229 PolarHBondContact OG1-O 3.26Å; Y152-R229 VanDerWaalsContact CE2-CZ 3.48Å; Y152-R229 VanDerWaalsContact CE2-NE 3.29Å; Y152-R229 VanDerWaalsContact CZ-NE 3.34Å; Y152-R229 WeakPolarHBondContact O-CD 3.44Å; Y152-R229 PolarHBondContact O-NH1 3.12Å; Y152-R229 PolarHBondContact OH-NH2 3.46Å; Y152-R229 VanDerWaalsContact OH-NH2 3.1Å; L153-R229 HydrophobicContact CD1-CB 4.1Å; I227-R229 PolarHBondContact O-N 3.17Å; R229-F262 HydrophobicContact CB-CB 4.41Å; R229-F262 PolarHBondContact NH1-O 3.47Å; R229-S263 WeakPolarHBondContact CA-O 3.4Å
230	G	92.1	Very high	91.3	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	169.8	171.4	0	0	0	0	0	109.5	K38 T232 F262 S263	K38-G230 WeakPolarHBondContact O-CA 3.12Å; G230-T232 PolarHBondContact O-N 3.19Å; G230-F262 WeakPolarHBondContact O-CA 3.36Å; G230-S263 PolarHBondContact N-O 3.28Å; G230-S263 VanDerWaalsContact N-O 3.12Å; G230-S263 PolarHBondContact O-N 3.1Å
231	Q	92.7	Very high	91	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	141.3	-178.8	-69.3	-176.8	75.5	0	0	111.2	K38 Y41 L236 K261 F262	K38-Q231 WeakPolarHBondContact CE-O 3.35Å; K38-Q231 WeakPolarHBondContact CG-O 3.17Å; K38-Q231 PolarHBondContact O-N 2.92Å; Y41-Q231 HydrophobicContact CD2-CG 3.92Å; Y41-Q231 HydrophobicContact CE2-CG 4.48Å; Q231-L236 HydrophobicContact CB-CD1 4.34Å; Q231-L236 HydrophobicContact CB-CD2 3.82Å; Q231-L236 HydrophobicContact CB-CG 3.75Å; Q231-L236 HydrophobicContact CG-CD2 4.41Å; Q231-K261 CarbonylContact C-O 3.54Å; Q231-K261 VanDerWaalsContact CA-O 3.31Å; Q231-K261 WeakPolarHBondContact CA-O 3.38Å; Q231-F262 HydrophobicContact CG-CD1 3.96Å; Q231-F262 HydrophobicContact CG-CE1 3.5Å; Q231-F262 HydrophobicContact CG-CZ 4.26Å
232	T	91.8	Very high	90.7	Very high	22 Å²	22	62.7 Å²	62.7	14%	0.135	31%	0.307	C	S	.	.			trans	-67.7	158.4	172.5	59.3	0	0	0	0	110.3	E151 G230 D234 S235 L236 K261	E151-T232 VanDerWaalsContact OE2-CG2 3.25Å; E151-T232 WeakPolarHBondContact OE2-CG2 3.29Å; G230-T232 PolarHBondContact O-N 3.19Å; T232-D234 VanDerWaalsContact C-N 3.34Å; T232-S235 PolarHBondContact O-N 3.19Å; T232-S235 WeakPolarHBondContact OG1-CB 3.46Å; T232-S235 PolarHBondContact OG1-N 3.46Å; T232-L236 WeakPolarHBondContact O-CG 3.49Å; T232-L236 PolarHBondContact O-N 3.24Å; T232-K261 HydrophobicContact CG2-CB 4.42Å; T232-K261 PolarHBondContact N-O 3.24Å
233	K	90.6	Very high	90.5	Very high	166 Å²	166	65.3 Å²	65.3	72%	0.722	32%	0.318	S	S	*	.	H	α-helix	trans	-60.3	-47.1	177.3	-69	-175	176.7	-175.5	0	111	S235 L236 E237	K233-S235 VanDerWaalsContact C-N 3.26Å; K233-S235 PolarHBondContact O-N 3.42Å; K233-L236 WeakPolarHBondContact O-CB 3.31Å; K233-L236 PolarHBondContact O-N 3.01Å; K233-E237 PolarHBondContact O-N 3.31Å
234	D	90.8	Very high	90.4	Very high	108 Å²	108	63.9 Å²	63.9	58%	0.578	30%	0.303	S	S	*	.	H	α-helix	trans	-60.2	-36.5	177.5	-52	-1.2	0	0	0	112.3	T232 K238	T232-D234 VanDerWaalsContact C-N 3.34Å; D234-K238 WeakPolarHBondContact O-CG 3.33Å; D234-K238 PolarHBondContact O-N 3.25Å
235	S	90.1	Very high	90.1	Very high	8 Å²	8	63.9 Å²	63.9	6%	0.056	30%	0.295	C	S	.	.	H	α-helix	trans	-69	-41.9	174.4	-171.9	0	0	0	0	111.4	T232 K233 E237 K238 H239 P260 K261	T232-S235 PolarHBondContact O-N 3.19Å; T232-S235 WeakPolarHBondContact OG1-CB 3.46Å; T232-S235 PolarHBondContact OG1-N 3.46Å; K233-S235 VanDerWaalsContact C-N 3.26Å; K233-S235 PolarHBondContact O-N 3.42Å; S235-E237 PolarHBondContact O-N 3.24Å; S235-K238 PolarHBondContact O-N 2.72Å; S235-H239 WeakPolarHBondContact O-CA 3.41Å; S235-H239 WeakPolarHBondContact O-CB 3.34Å; S235-H239 PolarHBondContact O-N 3.15Å; S235-P260 WeakPolarHBondContact OG-CA 3.2Å; S235-K261 PolarHBondContact OG-N 2.95Å
236	L	90.8	Very high	90	Very high	54 Å²	54	68.5 Å²	68.5	28%	0.283	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-29.7	178.9	-74.4	167.2	0	0	0	113	K38 Q231 T232 K233 I241	K38-L236 HydrophobicContact CB-CD1 4.15Å; K38-L236 HydrophobicContact CG-CD1 4.39Å; Q231-L236 HydrophobicContact CB-CD1 4.34Å; Q231-L236 HydrophobicContact CB-CD2 3.82Å; Q231-L236 HydrophobicContact CB-CG 3.75Å; Q231-L236 HydrophobicContact CG-CD2 4.41Å; T232-L236 WeakPolarHBondContact O-CG 3.49Å; T232-L236 PolarHBondContact O-N 3.24Å; K233-L236 WeakPolarHBondContact O-CB 3.31Å; K233-L236 PolarHBondContact O-N 3.01Å; L236-I241 HydrophobicContact CD2-CD1 3.74Å; L236-I241 HydrophobicContact CD2-CG1 4.49Å
237	E	91.1	Very high	89.8	Confident	159 Å²	159	65.7 Å²	65.7	74%	0.743	31%	0.312	S	S	*	.	H	α-helix	trans	-77	-34.1	177.1	-71.4	173.9	-170.2	0	0	112.4	K233 S235	K233-E237 PolarHBondContact O-N 3.31Å; S235-E237 PolarHBondContact O-N 3.24Å
238	K	90.4	Very high	89.6	Confident	147 Å²	147	66.1 Å²	66.1	64%	0.639	32%	0.315	S	S	*	.	H	α-helix	trans	-95.4	-26.7	-175.7	-64.5	178.4	-179.7	179.9	0	114	D234 S235 P258	D234-K238 WeakPolarHBondContact O-CG 3.33Å; D234-K238 PolarHBondContact O-N 3.25Å; S235-K238 PolarHBondContact O-N 2.72Å; K238-P258 HydrophobicContact CB-CG 3.94Å; K238-P258 WeakPolarHBondContact O-CD 3.26Å
239	H	89.3	Confident	89.2	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	35%	0.347	C	S	.	.	S	Bend	trans	-107.3	98.4	-178.4	-173.8	97	0	0	0	109.4	Y41 S235 I241 C244 W251 P258	Y41-H239 AromaticContact CE2-CD2 3.88Å; Y41-H239 AromaticContact CE2-NE2 3.7Å; Y41-H239 AromaticContact CZ-NE2 3.41Å; Y41-H239 PolarHBondContact OH-CD2 3.24Å; Y41-H239 PolarHBondContact OH-NE2 3.42Å; S235-H239 WeakPolarHBondContact O-CA 3.41Å; S235-H239 WeakPolarHBondContact O-CB 3.34Å; S235-H239 PolarHBondContact O-N 3.15Å; H239-I241 PolarHBondContact O-N 2.97Å; H239-I241 VanDerWaalsContact O-N 3.08Å; H239-C244 VanDerWaalsContact CE1-CB 3.41Å; H239-C244 WeakPolarHBondContact CE1-CB 3.16Å; H239-C244 VanDerWaalsContact NE2-CB 3.28Å; H239-C244 WeakPolarHBondContact NE2-CB 3.36Å; H239-W251 AromaticContact CE1-NE1 3.84Å; H239-P258 HydrophobicContact CB-CG 4.33Å; H239-P258 PolarHBondContact ND1-O 3.32Å
240	D	88	Confident	88.9	Confident	89 Å²	89	72.3 Å²	72.3	48%	0.476	36%	0.356	S	S	.	.			trans	-71.9	105	176.7	-177.6	-6.5	0	0	0	110.3	K242 F243 C244	D240-K242 VanDerWaalsContact C-N 3.26Å; D240-K242 PolarHBondContact O-N 3.24Å; D240-K242 PolarHBondContact OD1-N 2.98Å; D240-F243 HydrophobicContact CB-CB 4.11Å; D240-F243 PolarHBondContact O-N 3.33Å; D240-F243 VanDerWaalsContact O-N 3.14Å; D240-C244 VanDerWaalsContact O-CB 3.26Å; D240-C244 WeakPolarHBondContact O-CB 3.47Å; D240-C244 PolarHBondContact O-N 3.01Å; D240-C244 PolarHBondContact O-SG 3.25Å
241	I	88.6	Confident	88.8	Confident	24 Å²	24	73.6 Å²	73.6	12%	0.123	36%	0.361	C	S	.	.	H	α-helix	trans	-52.1	-43.8	-179.3	-59.9	170.2	0	0	0	111.7	P37 F40 Y41 L236 H239 F243 C244 E245	P37-I241 HydrophobicContact CB-CD1 3.96Å; P37-I241 WeakPolarHBondContact O-CD1 3.36Å; F40-I241 HydrophobicContact CB-CD1 4.2Å; F40-I241 HydrophobicContact CB-CG2 4.21Å; F40-I241 HydrophobicContact CD1-CG2 3.38Å; F40-I241 HydrophobicContact CD2-CG2 4.18Å; F40-I241 HydrophobicContact CE1-CG2 3.71Å; F40-I241 HydrophobicContact CE2-CG2 4.47Å; F40-I241 HydrophobicContact CG-CG2 3.64Å; F40-I241 HydrophobicContact CZ-CG2 4.26Å; Y41-I241 HydrophobicContact CE2-CG1 4.3Å; L236-I241 HydrophobicContact CD2-CD1 3.74Å; L236-I241 HydrophobicContact CD2-CG1 4.49Å; H239-I241 PolarHBondContact O-N 2.97Å; H239-I241 VanDerWaalsContact O-N 3.08Å; I241-F243 VanDerWaalsContact C-N 3.29Å; I241-F243 PolarHBondContact O-N 3.15Å; I241-C244 PolarHBondContact O-N 3.3Å; I241-E245 WeakPolarHBondContact O-CB 3.41Å; I241-E245 PolarHBondContact O-N 2.82Å
242	K	88.1	Confident	88.4	Confident	182 Å²	182	76 Å²	76	79%	0.791	39%	0.386	S	S	*	.	H	α-helix	trans	-68.1	-33.4	-174.4	-70.5	-176.7	178.3	179.5	0	112	D240	D240-K242 VanDerWaalsContact C-N 3.26Å; D240-K242 PolarHBondContact O-N 3.24Å; D240-K242 PolarHBondContact OD1-N 2.98Å
243	F	88.9	Confident	88.2	Confident	88 Å²	88	80.3 Å²	80.3	39%	0.386	41%	0.412	S	S	.	.	H	α-helix	trans	-83.1	-40.1	179.2	-176.1	-103.9	0	0	0	111.8	D240 I241 K247 I254 Q256 C257	D240-F243 HydrophobicContact CB-CB 4.11Å; D240-F243 PolarHBondContact O-N 3.33Å; D240-F243 VanDerWaalsContact O-N 3.14Å; I241-F243 VanDerWaalsContact C-N 3.29Å; I241-F243 PolarHBondContact O-N 3.15Å; F243-K247 HydrophobicContact CE1-CD 4.22Å; F243-K247 HydrophobicContact CZ-CD 4.3Å; F243-K247 VanDerWaalsContact CZ-NZ 3.34Å; F243-I254 HydrophobicContact CE1-CD1 3.93Å; F243-Q256 HydrophobicContact CD1-CB 4.25Å; F243-Q256 HydrophobicContact CE1-CB 3.92Å; F243-C257 VanDerWaalsContact CD1-SG 3.58Å
244	C	88.9	Confident	88	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-89.1	-16.7	-171.6	-57.8	0	0	0	0	114.4	H239 D240 I241 N246 K247 W251 Q256 C257	H239-C244 VanDerWaalsContact CE1-CB 3.41Å; H239-C244 WeakPolarHBondContact CE1-CB 3.16Å; H239-C244 VanDerWaalsContact NE2-CB 3.28Å; H239-C244 WeakPolarHBondContact NE2-CB 3.36Å; D240-C244 VanDerWaalsContact O-CB 3.26Å; D240-C244 WeakPolarHBondContact O-CB 3.47Å; D240-C244 PolarHBondContact O-N 3.01Å; D240-C244 PolarHBondContact O-SG 3.25Å; I241-C244 PolarHBondContact O-N 3.3Å; C244-N246 VanDerWaalsContact C-N 3.25Å; C244-N246 PolarHBondContact O-N 3.09Å; C244-K247 PolarHBondContact O-N 3.5Å; C244-K247 VanDerWaalsContact O-N 3.15Å; C244-W251 PolarHBondContact O-NE1 3.38Å; C244-Q256 PolarHBondContact SG-O 3.46Å; C244-Q256 VanDerWaalsContact SG-O 3.34Å; C244-C257 WeakPolarHBondContact CA-SG 3.36Å; C244-C257 HydrophobicContact CB-CB 3.88Å; C244-C257 WeakPolarHBondContact CB-SG 3.18Å; C244-C257 WeakPolarHBondContact SG-CA 3.35Å; C244-C257 WeakPolarHBondContact SG-CB 3.16Å; C244-C257 CovalentContact SG-SG 2.03Å; C244-C257 PolarHBondContact SG-SG 3.12Å
245	E	86.4	Confident	87.7	Confident	46 Å²	46	78 Å²	78	22%	0.215	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-41.8	178.4	173.8	178.5	-170.3	0	0	112.4	F40 K44 Y137 I241	F40-E245 HydrophobicContact CE1-CB 4.25Å; F40-E245 HydrophobicContact CE1-CG 3.92Å; F40-E245 HydrophobicContact CZ-CG 4.09Å; F40-E245 VanDerWaalsContact CZ-OE1 3.3Å; F40-E245 WeakPolarHBondContact CZ-OE1 3.31Å; F40-E245 VanDerWaalsContact CZ-OE2 3.27Å; F40-E245 WeakPolarHBondContact CZ-OE2 3.38Å; K44-E245 VanDerWaalsContact CE-OE1 3.25Å; K44-E245 WeakPolarHBondContact CE-OE1 3.08Å; K44-E245 IonicContact NZ-OE1 2.71Å; K44-E245 PolarHBondContact NZ-OE1 3.04Å; Y137-E245 HydrophobicContact CE2-CG 4.24Å; I241-E245 WeakPolarHBondContact O-CB 3.41Å; I241-E245 PolarHBondContact O-N 2.82Å
246	N	86.9	Confident	87.4	Confident	138 Å²	138	83 Å²	83	74%	0.738	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	2.8	-175.3	-63.3	-41.5	0	0	0	113.7	C244	C244-N246 VanDerWaalsContact C-N 3.25Å; C244-N246 PolarHBondContact O-N 3.09Å
247	K	88.3	Confident	87.3	Confident	64 Å²	64	80.4 Å²	80.4	28%	0.278	41%	0.411	S	S	.	.			trans	-127	46.7	-169.2	-65.8	-177.6	164.8	-155.9	0	113.1	F243 C244 S249 E250 W251	F243-K247 HydrophobicContact CE1-CD 4.22Å; F243-K247 HydrophobicContact CZ-CD 4.3Å; F243-K247 VanDerWaalsContact CZ-NZ 3.34Å; C244-K247 PolarHBondContact O-N 3.5Å; C244-K247 VanDerWaalsContact O-N 3.15Å; K247-S249 VanDerWaalsContact C-N 3.31Å; K247-S249 PolarHBondContact O-N 2.9Å; K247-E250 HydrophobicContact CB-CB 4.29Å; K247-E250 WeakPolarHBondContact CD-OE2 3.31Å; K247-E250 IonicContact NZ-OE2 3.56Å; K247-E250 PolarHBondContact O-N 2.94Å; K247-W251 PolarHBondContact O-N 3.37Å
248	I	84.6	Confident	87.2	Confident	41 Å²	41	74.9 Å²	74.9	21%	0.21	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-60.1	-40.1	-172.5	-51.7	165.8	0	0	0	112.2	Y137 A140 E250 W251	Y137-I248 HydrophobicContact CD2-CD1 3.21Å; Y137-I248 HydrophobicContact CD2-CG1 4.01Å; Y137-I248 HydrophobicContact CE2-CD1 3.94Å; Y137-I248 HydrophobicContact CE2-CG1 4.26Å; Y137-I248 HydrophobicContact CG-CD1 3.82Å; A140-I248 HydrophobicContact CB-CG2 3.37Å; I248-E250 PolarHBondContact O-N 2.87Å; I248-W251 HydrophobicContact CB-CZ2 4.35Å; I248-W251 HydrophobicContact CG1-CH2 4.43Å; I248-W251 HydrophobicContact CG1-CZ2 3.98Å; I248-W251 HydrophobicContact CG2-CD2 4.2Å; I248-W251 HydrophobicContact CG2-CE3 4.1Å; I248-W251 HydrophobicContact CG2-CH2 4.11Å; I248-W251 HydrophobicContact CG2-CZ2 4.21Å; I248-W251 HydrophobicContact CG2-CZ3 4.06Å; I248-W251 WeakPolarHBondContact O-CB 3.28Å; I248-W251 PolarHBondContact O-N 3.46Å
249	S	83.8	Confident	87.1	Confident	111 Å²	111	70.5 Å²	70.5	78%	0.776	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-67.5	-16.8	177.9	52.1	0	0	0	0	113.8	K247	K247-S249 VanDerWaalsContact C-N 3.31Å; K247-S249 PolarHBondContact O-N 2.9Å
250	E	85.4	Confident	87.2	Confident	70 Å²	70	70.6 Å²	70.6	33%	0.327	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-96.9	-1.5	179	-61.5	174.5	-155.2	0	0	112.2	K247 I248 G252 T253 I254	K247-E250 HydrophobicContact CB-CB 4.29Å; K247-E250 WeakPolarHBondContact CD-OE2 3.31Å; K247-E250 IonicContact NZ-OE2 3.56Å; K247-E250 PolarHBondContact O-N 2.94Å; I248-E250 PolarHBondContact O-N 2.87Å; E250-G252 PolarHBondContact O-N 3.1Å; E250-T253 WeakPolarHBondContact O-CB 3.43Å; E250-T253 PolarHBondContact O-N 2.92Å; E250-I254 HydrophobicContact CB-CD1 4.2Å; E250-I254 HydrophobicContact CB-CG1 4.23Å; E250-I254 PolarHBondContact O-N 3.37Å
251	W	88.4	Confident	87.3	Confident	28 Å²	28	72.1 Å²	72.1	11%	0.106	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	125	178.1	-69.6	0.7	0	0	0	111.1	Y41 A140 L141 I144 H239 C244 K247 I248 T253 C257 P260	Y41-W251 HydrophobicContact CD1-CH2 4Å; Y41-W251 HydrophobicContact CD1-CZ2 4.32Å; Y41-W251 AromaticContact CE1-CH2 3.74Å; Y41-W251 HydrophobicContact CE1-CH2 3.74Å; Y41-W251 AromaticContact CE1-CZ2 3.59Å; Y41-W251 HydrophobicContact CE1-CZ2 3.59Å; A140-W251 HydrophobicContact CB-CZ3 4.38Å; L141-W251 HydrophobicContact CD2-CH2 3.84Å; L141-W251 HydrophobicContact CD2-CZ3 3.89Å; L141-W251 HydrophobicContact CG-CH2 4.44Å; I144-W251 HydrophobicContact CD1-CZ3 4.2Å; H239-W251 AromaticContact CE1-NE1 3.84Å; C244-W251 PolarHBondContact O-NE1 3.38Å; K247-W251 PolarHBondContact O-N 3.37Å; I248-W251 HydrophobicContact CB-CZ2 4.35Å; I248-W251 HydrophobicContact CG1-CH2 4.43Å; I248-W251 HydrophobicContact CG1-CZ2 3.98Å; I248-W251 HydrophobicContact CG2-CD2 4.2Å; I248-W251 HydrophobicContact CG2-CE3 4.1Å; I248-W251 HydrophobicContact CG2-CH2 4.11Å; I248-W251 HydrophobicContact CG2-CZ2 4.21Å; I248-W251 HydrophobicContact CG2-CZ3 4.06Å; I248-W251 WeakPolarHBondContact O-CB 3.28Å; I248-W251 PolarHBondContact O-N 3.46Å; W251-T253 PolarHBondContact O-N 3.49Å; W251-C257 CarbonylContact C-O 3.53Å; W251-C257 WeakPolarHBondContact CA-O 3.37Å; W251-P260 HydrophobicContact CE3-CG 4.16Å; W251-P260 HydrophobicContact CH2-CG 4.48Å; W251-P260 HydrophobicContact CZ3-CG 4.09Å
252	G	84.8	Confident	87.5	Confident	50 Å²	50	71 Å²	71	52%	0.515	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	-9.8	-175.5	0	0	0	0	0	114.8	E250 C257	E250-G252 PolarHBondContact O-N 3.1Å; G252-C257 PolarHBondContact N-O 2.84Å
253	T	87.4	Confident	87.6	Confident	113 Å²	113	64.2 Å²	64.2	69%	0.693	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-35.3	178.5	-52.3	0	0	0	0	111.7	E250 W251	E250-T253 WeakPolarHBondContact O-CB 3.43Å; E250-T253 PolarHBondContact O-N 2.92Å; W251-T253 PolarHBondContact O-N 3.49Å
254	I	87.1	Confident	87.6	Confident	42 Å²	42	60.6 Å²	60.6	22%	0.215	33%	0.334	C	S	.	.	S	Bend	trans	-108.1	142.3	176.7	62.1	172.8	0	0	0	111.1	F243 E250 Q256 C257	F243-I254 HydrophobicContact CE1-CD1 3.93Å; E250-I254 HydrophobicContact CB-CD1 4.2Å; E250-I254 HydrophobicContact CB-CG1 4.23Å; E250-I254 PolarHBondContact O-N 3.37Å; I254-Q256 PolarHBondContact O-N 3Å; I254-C257 HydrophobicContact CD1-CB 3.96Å; I254-C257 HydrophobicContact CG1-CB 3.73Å; I254-C257 CarbonylContact O-C 3.45Å; I254-C257 PolarHBondContact O-N 2.94Å; I254-C257 VanDerWaalsContact O-N 3.08Å
255	E	84.9	Confident	87.6	Confident	185 Å²	185	61.6 Å²	61.6	86%	0.864	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-29.2	-178.8	-69.4	-170.6	163.1	0	0	112.9	C257	E255-C257 VanDerWaalsContact C-N 3.31Å; E255-C257 PolarHBondContact O-N 2.99Å
256	Q	83.8	Confident	87.7	Confident	112 Å²	112	62.6 Å²	62.6	52%	0.523	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-16.7	-179.5	-60	82.7	-1.3	0	0	113.5	F243 C244 I254	F243-Q256 HydrophobicContact CD1-CB 4.25Å; F243-Q256 HydrophobicContact CE1-CB 3.92Å; C244-Q256 PolarHBondContact SG-O 3.46Å; C244-Q256 VanDerWaalsContact SG-O 3.34Å; I254-Q256 PolarHBondContact O-N 3Å
257	C	87.6	Confident	87.7	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	-131.6	67.1	179.5	-64.1	0	0	0	0	111.2	F243 C244 W251 G252 I254 E255	F243-C257 VanDerWaalsContact CD1-SG 3.58Å; C244-C257 WeakPolarHBondContact CA-SG 3.36Å; C244-C257 HydrophobicContact CB-CB 3.88Å; C244-C257 WeakPolarHBondContact CB-SG 3.18Å; C244-C257 WeakPolarHBondContact SG-CA 3.35Å; C244-C257 WeakPolarHBondContact SG-CB 3.16Å; C244-C257 CovalentContact SG-SG 2.03Å; C244-C257 PolarHBondContact SG-SG 3.12Å; W251-C257 CarbonylContact C-O 3.53Å; W251-C257 WeakPolarHBondContact CA-O 3.37Å; G252-C257 PolarHBondContact N-O 2.84Å; I254-C257 HydrophobicContact CD1-CB 3.96Å; I254-C257 HydrophobicContact CG1-CB 3.73Å; I254-C257 CarbonylContact O-C 3.45Å; I254-C257 PolarHBondContact O-N 2.94Å; I254-C257 VanDerWaalsContact O-N 3.08Å; E255-C257 VanDerWaalsContact C-N 3.31Å; E255-C257 PolarHBondContact O-N 2.99Å
258	P	90	Very high	87.8	Confident	43 Å²	43	58.5 Å²	58.5	28%	0.279	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-61.4	153.2	170.5	28.8	-34.1	0	0	0	110	K238 H239	K238-P258 HydrophobicContact CB-CG 3.94Å; K238-P258 WeakPolarHBondContact O-CD 3.26Å; H239-P258 HydrophobicContact CB-CG 4.33Å; H239-P258 PolarHBondContact ND1-O 3.32Å
259	V	88.8	Confident	88.2	Confident	55 Å²	55	57.5 Å²	57.5	33%	0.333	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-56.6	126.7	178.7	-178.6	0	0	0	0	110	I144	I144-V259 HydrophobicContact CD1-CG1 4.34Å; I144-V259 HydrophobicContact CG1-CG1 4.32Å
260	P	90.2	Very high	88.5	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.006	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-66.6	136.6	-176.1	25.9	-33	0	0	0	111.1	Y41 I144 S235 W251 F262	Y41-P260 HydrophobicContact CD2-CB 4.45Å; Y41-P260 HydrophobicContact CE2-CB 4.37Å; I144-P260 HydrophobicContact CD1-CG 4.1Å; S235-P260 WeakPolarHBondContact OG-CA 3.2Å; W251-P260 HydrophobicContact CE3-CG 4.16Å; W251-P260 HydrophobicContact CH2-CG 4.48Å; W251-P260 HydrophobicContact CZ3-CG 4.09Å; P260-F262 HydrophobicContact CB-CE2 4Å; P260-F262 HydrophobicContact CB-CZ 3.86Å; P260-F262 HydrophobicContact CG-CE2 4Å; P260-F262 HydrophobicContact CG-CZ 4Å; P260-F262 WeakPolarHBondContact O-CE2 3.48Å
261	K	91	Very high	88.8	Confident	122 Å²	122	60.6 Å²	60.6	53%	0.53	32%	0.322	S	S	.	.			trans	-106.9	140.7	-179.7	-61.4	-172.2	178.1	-171.7	0	111.6	Q231 T232 S235	Q231-K261 CarbonylContact C-O 3.54Å; Q231-K261 VanDerWaalsContact CA-O 3.31Å; Q231-K261 WeakPolarHBondContact CA-O 3.38Å; T232-K261 HydrophobicContact CG2-CB 4.42Å; T232-K261 PolarHBondContact N-O 3.24Å; S235-K261 PolarHBondContact OG-N 2.95Å
262	F	91.8	Very high	89	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	127.4	-169.8	-60.1	-82.3	0	0	0	113.4	Y41 L141 I144 E151 L153 R229 G230 Q231 P260	Y41-F262 HydrophobicContact CD2-CE1 4.23Å; Y41-F262 HydrophobicContact CD2-CZ 4.1Å; Y41-F262 HydrophobicContact CG-CE1 4.43Å; Y41-F262 HydrophobicContact CG-CZ 4.17Å; L141-F262 HydrophobicContact CD2-CZ 4.19Å; I144-F262 HydrophobicContact CD1-CE2 3.96Å; I144-F262 HydrophobicContact CG2-CD2 4.35Å; I144-F262 HydrophobicContact CG2-CE2 4.45Å; E151-F262 WeakPolarHBondContact CB-O 3.47Å; E151-F262 VanDerWaalsContact OE2-C 3.24Å; E151-F262 PolarHBondContact OE2-N 3.02Å; E151-F262 VanDerWaalsContact OE2-O 3.09Å; L153-F262 HydrophobicContact CB-CB 4.43Å; L153-F262 HydrophobicContact CB-CD1 4.3Å; L153-F262 HydrophobicContact CB-CD2 3.75Å; L153-F262 HydrophobicContact CB-CE2 4Å; L153-F262 HydrophobicContact CB-CG 3.9Å; L153-F262 HydrophobicContact CB-CZ 4.38Å; L153-F262 HydrophobicContact CD1-CB 4.46Å; L153-F262 HydrophobicContact CD1-CD1 3.71Å; L153-F262 HydrophobicContact CD1-CE1 4.06Å; L153-F262 HydrophobicContact CD1-CG 4.04Å; L153-F262 HydrophobicContact CD2-CD1 4.32Å; L153-F262 HydrophobicContact CD2-CE1 3.88Å; L153-F262 HydrophobicContact CD2-CE2 4.25Å; L153-F262 HydrophobicContact CD2-CZ 3.84Å; L153-F262 HydrophobicContact CG-CD1 4.32Å; L153-F262 HydrophobicContact CG-CE1 4.38Å; L153-F262 HydrophobicContact CG-CG 4.41Å; R229-F262 HydrophobicContact CB-CB 4.41Å; R229-F262 PolarHBondContact NH1-O 3.47Å; G230-F262 WeakPolarHBondContact O-CA 3.36Å; Q231-F262 HydrophobicContact CG-CD1 3.96Å; Q231-F262 HydrophobicContact CG-CE1 3.5Å; Q231-F262 HydrophobicContact CG-CZ 4.26Å; P260-F262 HydrophobicContact CB-CE2 4Å; P260-F262 HydrophobicContact CB-CZ 3.86Å; P260-F262 HydrophobicContact CG-CE2 4Å; P260-F262 HydrophobicContact CG-CZ 4Å; P260-F262 WeakPolarHBondContact O-CE2 3.48Å
263	S	90.8	Very high	89.4	Confident	39 Å²	39	60.3 Å²	60.3	27%	0.273	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	144.6	175.2	60.2	0	0	0	0	112.2	R229 G230	R229-S263 WeakPolarHBondContact CA-O 3.4Å; G230-S263 PolarHBondContact N-O 3.28Å; G230-S263 VanDerWaalsContact N-O 3.12Å; G230-S263 PolarHBondContact O-N 3.1Å
264	G	88.9	Confident	89.6	Confident	13 Å²	13	58.8 Å²	58.8	13%	0.134	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.9	173.6	0	0	0	0	0	112.2	R226	R226-G264 VanDerWaalsContact O-CA 3.31Å; R226-G264 WeakPolarHBondContact O-CA 3.3Å
265	N	87.6	Confident	89.9	Confident	21 Å²	21	58.5 Å²	58.5	11%	0.112	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-62.6	141.1	175	-71.4	-36.4	0	0	0	111	Y33 K38 Y39 R226 V228	Y33-N265 PolarHBondContact OH-ND2 2.73Å; K38-N265 PolarHBondContact NZ-OD1 3.41Å; Y39-N265 PolarHBondContact OH-ND2 3.49Å; Y39-N265 PolarHBondContact OH-OD1 2.86Å; Y39-N265 VanDerWaalsContact OH-OD1 3.05Å; R226-N265 WeakPolarHBondContact CB-O 3.46Å; R226-N265 WeakPolarHBondContact CD-O 3.4Å; R226-N265 VanDerWaalsContact CG-O 3.27Å; R226-N265 WeakPolarHBondContact CG-O 3.44Å; V228-N265 PolarHBondContact O-N 2.7Å; V228-N265 VanDerWaalsContact O-N 3.11Å
266	P	88.6	Confident	90.2	Very high	67 Å²	67	50.3 Å²	50.3	44%	0.435	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-63.8	146.5	177	27	-33.6	0	0	0	110.7	M268	P266-M268 HydrophobicContact CG-CE 3.87Å; P266-M268 PolarHBondContact O-N 3.47Å
267	P	88.9	Confident	90.6	Very high	32 Å²	32	48.3 Å²	48.3	21%	0.208	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-64.1	126.7	176.2	26.7	-33.5	0	0	0	109.7	W270	P267-W270 VanDerWaalsContact O-CD1 3.28Å; P267-W270 PolarHBondContact O-NE1 3.27Å
268	M	89.4	Confident	90.9	Very high	84 Å²	84	54.5 Å²	54.5	41%	0.414	29%	0.285	S	S	.	.			trans	-104.9	-21.8	-179.7	-66.9	-59.4	-170.3	0	0	113.2	P266 W270 K271 W272	P266-M268 HydrophobicContact CG-CE 3.87Å; P266-M268 PolarHBondContact O-N 3.47Å; M268-W270 VanDerWaalsContact C-N 3.32Å; M268-W270 PolarHBondContact O-N 3.13Å; M268-K271 VanDerWaalsContact O-CB 3.3Å; M268-K271 WeakPolarHBondContact O-CB 3.27Å; M268-K271 PolarHBondContact O-N 3.02Å; M268-K271 HydrophobicContact SD-CD 3.95Å; M268-K271 PolarHBondContact SD-NZ 3.37Å; M268-K271 VanDerWaalsContact SD-NZ 3.4Å; M268-W272 VanDerWaalsContact O-CD1 3.29Å
269	T	92.4	Very high	91	Very high	20 Å²	20	56.3 Å²	56.3	12%	0.123	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-40.8	-171.2	-62	0	0	0	0	113.7	N61 L219 K271 W272 I273	N61-T269 PolarHBondContact ND2-OG1 2.92Å; N61-T269 WeakPolarHBondContact OD1-CB 3.07Å; N61-T269 VanDerWaalsContact OD1-CG2 3.24Å; N61-T269 WeakPolarHBondContact OD1-CG2 3.24Å; N61-T269 PolarHBondContact OD1-OG1 3.47Å; L219-T269 HydrophobicContact CD1-CG2 3.9Å; L219-T269 HydrophobicContact CD2-CG2 4.3Å; L219-T269 HydrophobicContact CG-CG2 3.62Å; L219-T269 WeakPolarHBondContact O-CG2 3.43Å; T269-K271 PolarHBondContact O-N 3.46Å; T269-K271 VanDerWaalsContact O-N 3.15Å; T269-W272 WeakPolarHBondContact O-CB 3.01Å; T269-W272 PolarHBondContact O-N 3.02Å; T269-I273 HydrophobicContact CG2-CD1 4.26Å; T269-I273 HydrophobicContact CG2-CG2 4.47Å; T269-I273 PolarHBondContact O-N 3.16Å
270	W	89.7	Confident	91.2	Very high	131 Å²	131	55.1 Å²	55.1	50%	0.496	28%	0.282	S	S	.	.	H	α-helix	trans	-55.9	-33.6	177.7	69.5	-92.3	0	0	0	113	P267 M268 W272 I273 V274	P267-W270 VanDerWaalsContact O-CD1 3.28Å; P267-W270 PolarHBondContact O-NE1 3.27Å; M268-W270 VanDerWaalsContact C-N 3.32Å; M268-W270 PolarHBondContact O-N 3.13Å; W270-W272 PolarHBondContact O-N 2.9Å; W270-I273 PolarHBondContact O-N 2.83Å; W270-V274 VanDerWaalsContact O-CB 3.28Å; W270-V274 WeakPolarHBondContact O-CB 3.3Å; W270-V274 VanDerWaalsContact O-CG1 3.31Å; W270-V274 WeakPolarHBondContact O-CG1 3.43Å; W270-V274 PolarHBondContact O-N 3.47Å
271	K	92.1	Very high	91.3	Very high	115 Å²	115	59.6 Å²	59.6	50%	0.5	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-30.7	178.6	-59.7	-177.8	177.5	178.2	0	112.4	M268 T269	M268-K271 VanDerWaalsContact O-CB 3.3Å; M268-K271 WeakPolarHBondContact O-CB 3.27Å; M268-K271 PolarHBondContact O-N 3.02Å; M268-K271 HydrophobicContact SD-CD 3.95Å; M268-K271 PolarHBondContact SD-NZ 3.37Å; M268-K271 VanDerWaalsContact SD-NZ 3.4Å; T269-K271 PolarHBondContact O-N 3.46Å; T269-K271 VanDerWaalsContact O-N 3.15Å
272	W	93.9	Very high	91.4	Very high	66 Å²	66	56 Å²	56	25%	0.25	30%	0.295	C	S	.	.	H	α-helix	trans	-83	-37.5	-179.2	-64.8	88.3	0	0	0	112	N61 F62 M65 M268 T269 W270 P276	N61-W272 HydrophobicContact CB-CB 4.19Å; N61-W272 HydrophobicContact CB-CD2 3.99Å; N61-W272 HydrophobicContact CB-CG 3.71Å; F62-W272 HydrophobicContact CB-CZ3 4.19Å; F62-W272 HydrophobicContact CD2-CZ3 4.09Å; M65-W272 HydrophobicContact CB-CB 4.32Å; M65-W272 HydrophobicContact CB-CE3 4.39Å; M65-W272 WeakPolarHBondContact CB-O 3.44Å; M65-W272 HydrophobicContact CE-CE3 4.31Å; M65-W272 HydrophobicContact CE-CZ3 4.34Å; M65-W272 VanDerWaalsContact CG-O 3.27Å; M65-W272 WeakPolarHBondContact CG-O 3.29Å; M65-W272 HydrophobicContact SD-CE3 3.75Å; M65-W272 HydrophobicContact SD-CZ3 4.24Å; M268-W272 VanDerWaalsContact O-CD1 3.29Å; T269-W272 WeakPolarHBondContact O-CB 3.01Å; T269-W272 PolarHBondContact O-N 3.02Å; W270-W272 PolarHBondContact O-N 2.9Å; W272-P276 WeakPolarHBondContact O-CD 3.17Å
273	I	93.3	Very high	91.4	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-94.8	-25	-170.4	65.9	177.7	0	0	0	113.8	C64 F216 L219 A220 T269 W270 G275 P276 M277	C64-I273 HydrophobicContact CB-CG2 4.41Å; F216-I273 HydrophobicContact CD1-CB 4.26Å; F216-I273 HydrophobicContact CD1-CD1 4.44Å; F216-I273 HydrophobicContact CD1-CG2 4.22Å; F216-I273 HydrophobicContact CE1-CB 4.3Å; F216-I273 HydrophobicContact CE1-CG2 4.02Å; L219-I273 HydrophobicContact CD2-CG2 4.3Å; A220-I273 HydrophobicContact CB-CD1 3.8Å; T269-I273 HydrophobicContact CG2-CD1 4.26Å; T269-I273 HydrophobicContact CG2-CG2 4.47Å; T269-I273 PolarHBondContact O-N 3.16Å; W270-I273 PolarHBondContact O-N 2.83Å; I273-G275 PolarHBondContact O-N 3.24Å; I273-P276 WeakPolarHBondContact O-CD 3.47Å; I273-M277 HydrophobicContact CB-CG 4.48Å; I273-M277 HydrophobicContact CB-SD 4.08Å; I273-M277 HydrophobicContact CD1-SD 4.02Å; I273-M277 HydrophobicContact CG1-SD 4.04Å; I273-M277 VanDerWaalsContact O-CB 3.26Å; I273-M277 WeakPolarHBondContact O-CB 3.46Å; I273-M277 WeakPolarHBondContact O-CG 3.35Å; I273-M277 PolarHBondContact O-N 3.37Å
274	V	91.8	Very high	91.4	Very high	82 Å²	82	59.5 Å²	59.5	50%	0.497	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-43.4	-173	69.3	0	0	0	0	113	W270 F278	W270-V274 VanDerWaalsContact O-CB 3.28Å; W270-V274 WeakPolarHBondContact O-CB 3.3Å; W270-V274 VanDerWaalsContact O-CG1 3.31Å; W270-V274 WeakPolarHBondContact O-CG1 3.43Å; W270-V274 PolarHBondContact O-N 3.47Å; V274-F278 VanDerWaalsContact O-CB 3.31Å; V274-F278 WeakPolarHBondContact O-CB 3.48Å; V274-F278 PolarHBondContact O-N 3.38Å
275	G	92	Very high	91.6	Very high	36 Å²	36	63.8 Å²	63.8	37%	0.371	32%	0.322	S	S	.	.	H	α-helix	trans	-63.1	-57.2	179.3	0	0	0	0	0	112.5	I273 M277 F278 L279	I273-G275 PolarHBondContact O-N 3.24Å; G275-M277 VanDerWaalsContact C-N 3.33Å; G275-M277 PolarHBondContact O-N 2.83Å; G275-F278 PolarHBondContact O-N 3.32Å; G275-L279 WeakPolarHBondContact O-CG 3.21Å; G275-L279 PolarHBondContact O-N 3.11Å
276	P	92.3	Very high	91.7	Very high	13 Å²	13	66 Å²	66	8%	0.084	34%	0.336	C	S	.	.	H	α-helix	trans	-58.4	-39.2	176.1	-25.3	32.9	0	0	0	114	M65 L68 L69 W272 I273 L279 Y280	M65-P276 HydrophobicContact CB-CG 4.29Å; M65-P276 HydrophobicContact CG-CG 3.58Å; M65-P276 WeakPolarHBondContact O-CB 3.47Å; M65-P276 WeakPolarHBondContact O-CG 3.47Å; L68-P276 HydrophobicContact CD1-CB 4.5Å; L69-P276 HydrophobicContact CD2-CB 4.41Å; W272-P276 WeakPolarHBondContact O-CD 3.17Å; I273-P276 WeakPolarHBondContact O-CD 3.47Å; P276-L279 PolarHBondContact O-N 2.88Å; P276-Y280 WeakPolarHBondContact O-CB 3.41Å; P276-Y280 PolarHBondContact O-N 3.42Å
277	M	92.4	Very high	91.7	Very high	70 Å²	70	64 Å²	64	35%	0.345	32%	0.32	S	S	.	.	H	α-helix	trans	-64.8	-41.4	176.6	-74.4	179.6	70.6	0	0	111.8	L68 F216 I273 G275 Y280 L281	L68-M277 HydrophobicContact CD1-CG 4.02Å; F216-M277 HydrophobicContact CB-CE 4.1Å; F216-M277 HydrophobicContact CB-SD 4.13Å; F216-M277 HydrophobicContact CD1-CG 4.21Å; F216-M277 HydrophobicContact CD1-SD 3.88Å; F216-M277 HydrophobicContact CG-SD 4.27Å; I273-M277 HydrophobicContact CB-CG 4.48Å; I273-M277 HydrophobicContact CB-SD 4.08Å; I273-M277 HydrophobicContact CD1-SD 4.02Å; I273-M277 HydrophobicContact CG1-SD 4.04Å; I273-M277 VanDerWaalsContact O-CB 3.26Å; I273-M277 WeakPolarHBondContact O-CB 3.46Å; I273-M277 WeakPolarHBondContact O-CG 3.35Å; I273-M277 PolarHBondContact O-N 3.37Å; G275-M277 VanDerWaalsContact C-N 3.33Å; G275-M277 PolarHBondContact O-N 2.83Å; M277-Y280 PolarHBondContact O-N 2.91Å; M277-L281 WeakPolarHBondContact O-CB 3.2Å; M277-L281 PolarHBondContact O-N 3.41Å
278	F	93	Very high	91.7	Very high	129 Å²	129	68.6 Å²	68.6	57%	0.566	34%	0.337	S	S	*	.	H	α-helix	trans	-63.2	-44.1	175.1	178	-100.7	0	0	0	111.9	V274 G275 Y280 L281 C282	V274-F278 VanDerWaalsContact O-CB 3.31Å; V274-F278 WeakPolarHBondContact O-CB 3.48Å; V274-F278 PolarHBondContact O-N 3.38Å; G275-F278 PolarHBondContact O-N 3.32Å; F278-Y280 VanDerWaalsContact C-N 3.34Å; F278-Y280 PolarHBondContact O-N 3.11Å; F278-L281 PolarHBondContact O-N 2.91Å; F278-C282 PolarHBondContact O-N 3.09Å; F278-C282 PolarHBondContact O-SG 3.35Å
279	L	92.6	Very high	91.7	Very high	82 Å²	82	72.9 Å²	72.9	43%	0.429	35%	0.348	S	S	.	.	H	α-helix	trans	-60.5	-43.7	175.4	-71.5	174.7	0	0	0	111.8	L69 G275 P276 C282 E283	L69-L279 HydrophobicContact CD2-CD1 4.14Å; G275-L279 WeakPolarHBondContact O-CG 3.21Å; G275-L279 PolarHBondContact O-N 3.11Å; P276-L279 PolarHBondContact O-N 2.88Å; L279-C282 PolarHBondContact O-N 3.13Å; L279-E283 WeakPolarHBondContact O-CB 3.06Å; L279-E283 PolarHBondContact O-N 2.89Å
280	Y	93.1	Very high	91.4	Very high	29 Å²	29	73.9 Å²	73.9	11%	0.114	35%	0.35	C	S	.	.	H	α-helix	trans	-65.2	-38.6	176.1	180	-102.5	0	0	0	112.2	V71 F212 P276 M277 F278 E283 R284	V71-Y280 HydrophobicContact CG2-CE2 4.43Å; F212-Y280 AromaticContact CE2-CE1 3.82Å; F212-Y280 HydrophobicContact CE2-CE1 3.82Å; F212-Y280 AromaticContact CZ-CE1 3.78Å; F212-Y280 HydrophobicContact CZ-CE1 3.78Å; F212-Y280 AromaticContact CZ-CZ 3.87Å; F212-Y280 VanDerWaalsContact CZ-OH 3.22Å; F212-Y280 WeakPolarHBondContact CZ-OH 3.26Å; P276-Y280 WeakPolarHBondContact O-CB 3.41Å; P276-Y280 PolarHBondContact O-N 3.42Å; M277-Y280 PolarHBondContact O-N 2.91Å; F278-Y280 VanDerWaalsContact C-N 3.34Å; F278-Y280 PolarHBondContact O-N 3.11Å; Y280-E283 WeakPolarHBondContact O-CB 3.48Å; Y280-E283 PolarHBondContact O-N 3.42Å; Y280-R284 HydrophobicContact CD1-CG 4.31Å; Y280-R284 HydrophobicContact CE1-CG 3.99Å; Y280-R284 HydrophobicContact CE2-CG 4.45Å; Y280-R284 VanDerWaalsContact CZ-NE 3.25Å; Y280-R284 WeakPolarHBondContact O-CG 3.21Å; Y280-R284 PolarHBondContact O-N 3.03Å; Y280-R284 VanDerWaalsContact OH-CZ 3.26Å; Y280-R284 PolarHBondContact OH-NE 3.11Å; Y280-R284 PolarHBondContact OH-NH2 3.46Å
281	L	92.5	Very high	91.2	Very high	96 Å²	96	68.3 Å²	68.3	50%	0.503	33%	0.331	S	S	.	.	H	α-helix	trans	-62.4	-46.1	174.4	180	62.8	0	0	0	111.4	M277 F278 E283 R284 L285	M277-L281 WeakPolarHBondContact O-CB 3.2Å; M277-L281 PolarHBondContact O-N 3.41Å; F278-L281 PolarHBondContact O-N 2.91Å; L281-E283 VanDerWaalsContact C-N 3.27Å; L281-E283 PolarHBondContact O-N 2.96Å; L281-R284 PolarHBondContact O-N 3.22Å; L281-L285 HydrophobicContact CG-CD1 4.31Å; L281-L285 WeakPolarHBondContact O-CG 3.29Å; L281-L285 PolarHBondContact O-N 3.05Å
282	C	93	Very high	90.9	Very high	47 Å²	47	69 Å²	69	32%	0.318	34%	0.336	S	S	.	.	H	α-helix	trans	-58.1	-42.9	174.5	-65.7	0	0	0	0	111.3	F278 L279 R284 L285 V286	F278-C282 PolarHBondContact O-N 3.09Å; F278-C282 PolarHBondContact O-SG 3.35Å; L279-C282 PolarHBondContact O-N 3.13Å; C282-R284 VanDerWaalsContact C-N 3.33Å; C282-R284 PolarHBondContact O-N 3.35Å; C282-L285 PolarHBondContact O-N 3.49Å; C282-V286 WeakPolarHBondContact O-CG2 3.3Å; C282-V286 PolarHBondContact O-N 3.46Å
283	E	91.6	Very high	90.7	Very high	9 Å²	9	68.6 Å²	68.6	4%	0.042	34%	0.337	C	S	.	.	H	α-helix	trans	-58.2	-43.6	176.6	-171.6	-89.9	175.7	0	0	112.3	C72 N74 L279 Y280 L281 V286 R287	C72-E283 HydrophobicContact CB-CG 4.09Å; N74-E283 HydrophobicContact CB-CG 4.25Å; L279-E283 WeakPolarHBondContact O-CB 3.06Å; L279-E283 PolarHBondContact O-N 2.89Å; Y280-E283 WeakPolarHBondContact O-CB 3.48Å; Y280-E283 PolarHBondContact O-N 3.42Å; L281-E283 VanDerWaalsContact C-N 3.27Å; L281-E283 PolarHBondContact O-N 2.96Å; E283-V286 PolarHBondContact O-N 2.94Å; E283-R287 WeakPolarHBondContact O-CG 3.32Å; E283-R287 PolarHBondContact O-N 3.32Å; E283-R287 VanDerWaalsContact O-N 3.16Å; E283-R287 IonicContact OE1-CZ 3.97Å; E283-R287 IonicContact OE1-NE 3.41Å; E283-R287 PolarHBondContact OE1-NE 3.01Å; E283-R287 IonicContact OE1-NH2 3.97Å; E283-R287 PolarHBondContact OE1-NH2 3.3Å; E283-R287 IonicContact OE2-NE 2.7Å
284	R	91	Very high	90.5	Very high	103 Å²	103	76.8 Å²	76.8	39%	0.389	37%	0.372	S	S	.	.	H	α-helix	trans	-68.3	-39.2	176.5	-68	-61.3	-176.2	167.4	-1.3	112.9	Y280 L281 C282 R287 F288	Y280-R284 HydrophobicContact CD1-CG 4.31Å; Y280-R284 HydrophobicContact CE1-CG 3.99Å; Y280-R284 HydrophobicContact CE2-CG 4.45Å; Y280-R284 VanDerWaalsContact CZ-NE 3.25Å; Y280-R284 WeakPolarHBondContact O-CG 3.21Å; Y280-R284 PolarHBondContact O-N 3.03Å; Y280-R284 VanDerWaalsContact OH-CZ 3.26Å; Y280-R284 PolarHBondContact OH-NE 3.11Å; Y280-R284 PolarHBondContact OH-NH2 3.46Å; L281-R284 PolarHBondContact O-N 3.22Å; C282-R284 VanDerWaalsContact C-N 3.33Å; C282-R284 PolarHBondContact O-N 3.35Å; R284-R287 PolarHBondContact O-N 3.21Å; R284-F288 WeakPolarHBondContact O-CB 3.31Å; R284-F288 PolarHBondContact O-N 3.43Å
285	L	91.9	Very high	90.6	Very high	103 Å²	103	73.5 Å²	73.5	54%	0.539	35%	0.353	S	S	.	.	H	α-helix	trans	-62.9	-42.2	175.5	-70.5	172.6	0	0	0	111.8	L281 C282 R287 F288 W289	L281-L285 HydrophobicContact CG-CD1 4.31Å; L281-L285 WeakPolarHBondContact O-CG 3.29Å; L281-L285 PolarHBondContact O-N 3.05Å; C282-L285 PolarHBondContact O-N 3.49Å; L285-R287 PolarHBondContact O-N 3.2Å; L285-F288 PolarHBondContact O-N 3.34Å; L285-W289 PolarHBondContact O-N 2.93Å
286	V	89.9	Confident	90.5	Very high	67 Å²	67	75.1 Å²	75.1	41%	0.406	36%	0.355	S	S	.	.	H	α-helix	trans	-61.6	-43.8	175.4	171	0	0	0	0	111.3	C282 E283 W289 R290	C282-V286 WeakPolarHBondContact O-CG2 3.3Å; C282-V286 PolarHBondContact O-N 3.46Å; E283-V286 PolarHBondContact O-N 2.94Å; V286-W289 PolarHBondContact O-N 3.16Å; V286-R290 WeakPolarHBondContact O-CG 3.3Å; V286-R290 PolarHBondContact O-N 3.5Å
287	R	89	Confident	90.5	Very high	25 Å²	25	75 Å²	75	9%	0.094	35%	0.353	C	S	.	.	H	α-helix	trans	-62.3	-44.7	175.3	-70.6	-173.2	-174.3	-146.4	21.6	112.1	E283 R284 L285 W289 R290 S291 D388	E283-R287 WeakPolarHBondContact O-CG 3.32Å; E283-R287 PolarHBondContact O-N 3.32Å; E283-R287 VanDerWaalsContact O-N 3.16Å; E283-R287 IonicContact OE1-CZ 3.97Å; E283-R287 IonicContact OE1-NE 3.41Å; E283-R287 PolarHBondContact OE1-NE 3.01Å; E283-R287 IonicContact OE1-NH2 3.97Å; E283-R287 PolarHBondContact OE1-NH2 3.3Å; E283-R287 IonicContact OE2-NE 2.7Å; R284-R287 PolarHBondContact O-N 3.21Å; L285-R287 PolarHBondContact O-N 3.2Å; R287-W289 PolarHBondContact O-N 3Å; R287-R290 PolarHBondContact O-N 3.47Å; R287-S291 WeakPolarHBondContact O-CB 3.44Å; R287-S291 PolarHBondContact O-N 3.4Å; R287-D388 WeakPolarHBondContact CD-OD2 3.37Å; R287-D388 IonicContact CZ-OD2 2.73Å; R287-D388 IonicContact NE-OD2 2.74Å; R287-D388 IonicContact NH1-OD2 3.69Å; R287-D388 PolarHBondContact NH1-OD2 2.63Å
288	F	88.9	Confident	90.3	Very high	129 Å²	129	74.9 Å²	74.9	57%	0.566	36%	0.357	S	S	*	.	H	α-helix	trans	-58.4	-49.1	177.4	-179.4	-100.6	0	0	0	110.8	R284 L285 R290 S291 Q292	R284-F288 WeakPolarHBondContact O-CB 3.31Å; R284-F288 PolarHBondContact O-N 3.43Å; L285-F288 PolarHBondContact O-N 3.34Å; F288-R290 PolarHBondContact O-N 3.29Å; F288-S291 WeakPolarHBondContact O-CB 3.37Å; F288-S291 PolarHBondContact O-N 2.93Å; F288-S291 VanDerWaalsContact O-N 3.15Å; F288-S291 PolarHBondContact O-OG 2.9Å; F288-Q292 HydrophobicContact CE1-CG 4.34Å; F288-Q292 HydrophobicContact CZ-CG 4.39Å; F288-Q292 WeakPolarHBondContact O-CG 3.49Å; F288-Q292 PolarHBondContact O-N 3.49Å
289	W	88.7	Confident	90.1	Very high	174 Å²	174	74.3 Å²	74.3	66%	0.659	35%	0.354	S	S	*	.	H	α-helix	trans	-59	-45.8	177.3	-177.8	74.3	0	0	0	112.8	L285 V286 R287 S291 Q292	L285-W289 PolarHBondContact O-N 2.93Å; V286-W289 PolarHBondContact O-N 3.16Å; R287-W289 PolarHBondContact O-N 3Å; W289-S291 VanDerWaalsContact C-N 3.29Å; W289-S291 PolarHBondContact O-N 3.31Å; W289-Q292 PolarHBondContact O-N 3.04Å
290	R	86.1	Confident	90	Very high	40 Å²	40	72.4 Å²	72.4	15%	0.151	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-31.3	176.5	-72.6	-174.1	-55.8	-172.6	5.2	113.4	N74 V286 R287 F288 Q292 Q293 K314 D388	N74-R290 PolarHBondContact ND2-NH2 2.91Å; N74-R290 PolarHBondContact OD1-NH1 3.23Å; N74-R290 PolarHBondContact OD1-NH2 3.49Å; V286-R290 WeakPolarHBondContact O-CG 3.3Å; V286-R290 PolarHBondContact O-N 3.5Å; R287-R290 PolarHBondContact O-N 3.47Å; F288-R290 PolarHBondContact O-N 3.29Å; R290-Q292 VanDerWaalsContact C-N 3.27Å; R290-Q292 PolarHBondContact O-N 3.33Å; R290-Q293 WeakPolarHBondContact O-CB 3.33Å; R290-Q293 PolarHBondContact O-N 2.73Å; R290-K314 PolarHBondContact O-NZ 2.93Å; R290-D388 IonicContact CZ-OD1 2.77Å; R290-D388 IonicContact NE-OD1 3.75Å; R290-D388 PolarHBondContact NE-OD1 3.41Å; R290-D388 IonicContact NH2-OD1 3.52Å; R290-D388 PolarHBondContact NH2-OD1 2.96Å
291	S	85.3	Confident	89.6	Confident	15 Å²	15	72.7 Å²	72.7	11%	0.105	35%	0.35	C	S	.	.	H	α-helix	trans	-69.5	-23.5	178.3	77.3	0	0	0	0	113.5	R287 F288 W289 Q293	R287-S291 WeakPolarHBondContact O-CB 3.44Å; R287-S291 PolarHBondContact O-N 3.4Å; F288-S291 WeakPolarHBondContact O-CB 3.37Å; F288-S291 PolarHBondContact O-N 2.93Å; F288-S291 VanDerWaalsContact O-N 3.15Å; F288-S291 PolarHBondContact O-OG 2.9Å; W289-S291 VanDerWaalsContact C-N 3.29Å; W289-S291 PolarHBondContact O-N 3.31Å; S291-Q293 VanDerWaalsContact C-N 3.32Å
292	Q	86.9	Confident	89.3	Confident	128 Å²	128	72 Å²	72	60%	0.598	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-9.9	177.1	-60.6	-58.9	-36.6	0	0	112.9	F288 W289 R290	F288-Q292 HydrophobicContact CE1-CG 4.34Å; F288-Q292 HydrophobicContact CZ-CG 4.39Å; F288-Q292 WeakPolarHBondContact O-CG 3.49Å; F288-Q292 PolarHBondContact O-N 3.49Å; W289-Q292 PolarHBondContact O-N 3.04Å; R290-Q292 VanDerWaalsContact C-N 3.27Å; R290-Q292 PolarHBondContact O-N 3.33Å
293	Q	88.9	Confident	88.8	Confident	59 Å²	59	71.8 Å²	71.8	28%	0.276	35%	0.345	S	S	.	.	S	Bend	trans	-70.4	133.1	178.6	-65.8	177.3	-35	0	0	110.5	R290 S291 V295 K314	R290-Q293 WeakPolarHBondContact O-CB 3.33Å; R290-Q293 PolarHBondContact O-N 2.73Å; S291-Q293 VanDerWaalsContact C-N 3.32Å; Q293-V295 PolarHBondContact O-N 3.41Å; Q293-K314 VanDerWaalsContact OE1-NZ 3.12Å
294	K	90.3	Very high	87.9	Confident	176 Å²	176	74.1 Å²	74.1	77%	0.765	36%	0.361	S	S	*	.			trans	-65.4	126.5	-179.9	-172.2	178.3	178.8	-177.6	0	110.9
295	V	92.8	Very high	87.2	Confident	14 Å²	14	71.9 Å²	71.9	9%	0.085	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	134.6	170.2	-175.6	0	0	0	0	108.2	Q293 M312 K314 F351 I385 V387	Q293-V295 PolarHBondContact O-N 3.41Å; V295-M312 HydrophobicContact CG1-CB 3.95Å; V295-M312 HydrophobicContact CG1-CG 4.17Å; V295-M312 HydrophobicContact CG1-SD 4.04Å; V295-K314 HydrophobicContact CG2-CB 4.34Å; V295-K314 HydrophobicContact CG2-CD 4.03Å; V295-K314 HydrophobicContact CG2-CG 4.23Å; V295-F351 HydrophobicContact CG1-CZ 4.04Å; V295-I385 WeakPolarHBondContact CB-O 3.48Å; V295-V387 HydrophobicContact CG1-CG2 4.12Å; V295-V387 HydrophobicContact CG2-CB 4.01Å; V295-V387 HydrophobicContact CG2-CG2 3.9Å
296	V	90.9	Very high	86.7	Confident	69 Å²	69	74.4 Å²	74.4	42%	0.418	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	125.2	177.9	-179.3	0	0	0	0	108.3	M312 K313	V296-M312 CarbonylContact O-C 3.54Å; V296-M312 VanDerWaalsContact O-CA 3.29Å; V296-M312 WeakPolarHBondContact O-CA 3.46Å; V296-K313 PolarHBondContact N-O 3.19Å; V296-K313 PolarHBondContact O-N 2.79Å
297	I	91.3	Very high	86.4	Confident	11 Å²	11	71.4 Å²	71.4	6%	0.056	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121	170.4	-55.4	173	0	0	0	107.1	V300 Q311 M312 L382 P383 I385	I297-V300 HydrophobicContact CG2-CG2 3.8Å; I297-Q311 CarbonylContact C-O 3.54Å; I297-Q311 WeakPolarHBondContact CA-O 3.27Å; I297-M312 HydrophobicContact CG1-CG 4.25Å; I297-L382 HydrophobicContact CB-CD1 3.94Å; I297-L382 HydrophobicContact CD1-CB 4.22Å; I297-L382 HydrophobicContact CG2-CD1 3.83Å; I297-P383 HydrophobicContact CD1-CG 4.42Å; I297-P383 WeakPolarHBondContact CD1-O 3.47Å; I297-I385 HydrophobicContact CD1-CD1 3.43Å; I297-I385 VanDerWaalsContact CD1-CD1 3.43Å; I297-I385 HydrophobicContact CD1-CG1 3.92Å; I297-I385 HydrophobicContact CG1-CD1 3.93Å; I297-I385 HydrophobicContact CG1-CG1 4.45Å
298	T	89.2	Confident	86.4	Confident	68 Å²	68	70.2 Å²	70.2	42%	0.417	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	-38.7	180	51.1	0	0	0	0	111.9	Q311 K313	T298-Q311 PolarHBondContact N-O 3.19Å; T298-Q311 WeakPolarHBondContact OG1-CB 3.39Å; T298-Q311 PolarHBondContact OG1-O 2.61Å; T298-Q311 VanDerWaalsContact OG1-O 3.12Å; T298-K313 HydrophobicContact CG2-CB 4.36Å; T298-K313 HydrophobicContact CG2-CD 4.04Å; T298-K313 HydrophobicContact CG2-CG 3.82Å
299	K	88.8	Confident	86.5	Confident	117 Å²	117	64.9 Å²	64.9	51%	0.509	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	143.6	-177.2	-164.2	-179.7	-176.9	-172.5	0	110.4	V301 Q311	K299-V301 HydrophobicContact CD-CG2 3.83Å; K299-V301 HydrophobicContact CG-CG2 3.96Å; K299-Q311 HydrophobicContact CB-CB 4.05Å; K299-Q311 HydrophobicContact CB-CG 4.25Å; K299-Q311 PolarHBondContact N-O 3.16Å; K299-Q311 PolarHBondContact O-N 3.4Å
300	V	89.3	Confident	86.7	Confident	42 Å²	42	56.6 Å²	56.6	26%	0.255	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.5	169.3	-178.1	0	0	0	0	106.9	I297 E309 L310 C369 L382	I297-V300 HydrophobicContact CG2-CG2 3.8Å; V300-E309 WeakPolarHBondContact CA-O 3.46Å; V300-L310 HydrophobicContact CB-CD2 4.24Å; V300-L310 HydrophobicContact CG1-CD2 3.85Å; V300-L310 HydrophobicContact CG2-CD2 3.7Å; V300-C369 HydrophobicContact CG1-CB 4.46Å; V300-L382 HydrophobicContact CG2-CD1 4.39Å; V300-L382 HydrophobicContact CG2-CD2 4.13Å
301	V	86.4	Confident	87	Confident	34 Å²	34	56 Å²	56	21%	0.206	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.7	177.6	-172.5	0	0	0	0	108.5	K299 I308 E309	K299-V301 HydrophobicContact CD-CG2 3.83Å; K299-V301 HydrophobicContact CG-CG2 3.96Å; V301-I308 CarbonylContact O-C 3.57Å; V301-I308 WeakPolarHBondContact O-CA 3.11Å; V301-E309 HydrophobicContact CB-CB 4.15Å; V301-E309 PolarHBondContact N-O 3.39Å; V301-E309 PolarHBondContact O-N 3.28Å
302	T	85.4	Confident	87.5	Confident	83 Å²	83	55.3 Å²	55.3	51%	0.509	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	123.6	172.5	51.3	0	0	0	0	108.9	I308 F366 C371	T302-I308 HydrophobicContact CG2-CG2 4.28Å; T302-F366 HydrophobicContact CG2-CE2 4.28Å; T302-C371 HydrophobicContact CG2-CB 3.82Å
303	H	81.4	Confident	87.7	Confident	41 Å²	41	53.7 Å²	53.7	19%	0.19	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	156.6	175.3	-70	-74.1	0	0	0	110.1	T307 E309 H354 W453	H303-T307 WeakPolarHBondContact CA-O 3.23Å; H303-T307 PolarHBondContact N-O 3.3Å; H303-E309 IonicContact CE1-OE2 2.75Å; H303-E309 IonicContact NE2-OE2 2.88Å; H303-E309 PolarHBondContact NE2-OE2 3.03Å; H303-H354 AromaticContact CD2-CD2 3.92Å; H303-H354 AromaticContact CD2-NE2 3.97Å; H303-H354 AromaticContact NE2-NE2 3.57Å; H303-W453 HydrophobicContact CB-CB 4.15Å
304	P	74.4	Confident	87.9	Confident	59 Å²	59	51.9 Å²	51.9	38%	0.383	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	165.1	167.7	-25.3	35.5	0	0	0	112.2	K306 E452	P304-K306 PolarHBondContact O-N 2.98Å; P304-E452 WeakPolarHBondContact CB-OE2 3.39Å; P304-E452 HydrophobicContact CG-CB 4.41Å; P304-E452 WeakPolarHBondContact CG-OE2 3.45Å
305	F	75	Confident	87.8	Confident	56 Å²	56	53 Å²	53	25%	0.246	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	39.5	179.1	-162.3	-114.2	0	0	0	114.4	T307 R356 D447 H449 A450	F305-T307 VanDerWaalsContact C-N 3.3Å; F305-T307 PolarHBondContact O-N 3.38Å; F305-T307 PolarHBondContact O-OG1 2.98Å; F305-R356 VanDerWaalsContact CE1-NH2 3.33Å; F305-D447 HydrophobicContact CE2-CB 3.65Å; F305-D447 HydrophobicContact CZ-CB 3.81Å; F305-D447 VanDerWaalsContact CZ-OD2 3.29Å; F305-D447 WeakPolarHBondContact CZ-OD2 3.46Å; F305-H449 HydrophobicContact CB-CB 4.17Å; F305-H449 HydrophobicContact CD2-CB 3.9Å; F305-H449 HydrophobicContact CG-CB 4.38Å; F305-A450 HydrophobicContact CD1-CB 4Å; F305-A450 HydrophobicContact CE1-CB 3.9Å; F305-A450 HydrophobicContact CG-CB 4.49Å; F305-A450 HydrophobicContact CZ-CB 4.34Å
306	K	81.6	Confident	87.5	Confident	156 Å²	156	56 Å²	56	68%	0.678	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	46.5	175.1	-65.2	-170.8	175.5	-171.3	0	112.4	P304 I357	P304-K306 PolarHBondContact O-N 2.98Å; K306-I357 HydrophobicContact CB-CB 4.17Å; K306-I357 HydrophobicContact CB-CD1 4.12Å; K306-I357 WeakPolarHBondContact O-CB 3.49Å; K306-I357 VanDerWaalsContact O-CG1 3.29Å; K306-I357 WeakPolarHBondContact O-CG1 3.43Å; K306-I357 PolarHBondContact O-N 3.42Å
307	T	84.6	Confident	87.5	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.018	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	139.5	179.8	-60	0	0	0	0	109.8	H303 F305 H354 I355 I411	H303-T307 WeakPolarHBondContact CA-O 3.23Å; H303-T307 PolarHBondContact N-O 3.3Å; F305-T307 VanDerWaalsContact C-N 3.3Å; F305-T307 PolarHBondContact O-N 3.38Å; F305-T307 PolarHBondContact O-OG1 2.98Å; T307-H354 HydrophobicContact CG2-CB 4.25Å; T307-I355 CarbonylContact C-O 3.58Å; T307-I355 VanDerWaalsContact CA-O 3.31Å; T307-I355 WeakPolarHBondContact CA-O 3.44Å; T307-I411 HydrophobicContact CG2-CD1 4.45Å
308	I	88.9	Confident	87.3	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.8	172.7	60.4	174.6	0	0	0	110.7	V301 T302 L310 H354 I355 F366	V301-I308 CarbonylContact O-C 3.57Å; V301-I308 WeakPolarHBondContact O-CA 3.11Å; T302-I308 HydrophobicContact CG2-CG2 4.28Å; I308-L310 HydrophobicContact CD1-CD2 4.41Å; I308-L310 HydrophobicContact CD1-CG 4.41Å; I308-H354 CarbonylContact O-C 3.49Å; I308-H354 WeakPolarHBondContact O-CA 3.24Å; I308-I355 HydrophobicContact CG1-CB 3.88Å; I308-I355 PolarHBondContact N-O 3.24Å; I308-I355 PolarHBondContact O-N 3.48Å; I308-F366 HydrophobicContact CG2-CD2 3.39Å; I308-F366 HydrophobicContact CG2-CE2 3.5Å
309	E	90.1	Very high	87.3	Confident	18 Å²	18	60.1 Å²	60.1	8%	0.084	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	125.8	168.1	178.7	-172	176.4	0	0	109.3	V300 V301 H303 Q311 I353 H354	V300-E309 WeakPolarHBondContact CA-O 3.46Å; V301-E309 HydrophobicContact CB-CB 4.15Å; V301-E309 PolarHBondContact N-O 3.39Å; V301-E309 PolarHBondContact O-N 3.28Å; H303-E309 IonicContact CE1-OE2 2.75Å; H303-E309 IonicContact NE2-OE2 2.88Å; H303-E309 PolarHBondContact NE2-OE2 3.03Å; E309-Q311 HydrophobicContact CG-CG 4.24Å; E309-Q311 WeakPolarHBondContact OE1-CG 3.38Å; E309-Q311 PolarHBondContact OE1-NE2 2.99Å; E309-I353 WeakPolarHBondContact CA-O 3.43Å; E309-H354 IonicContact OE1-CE1 3.99Å; E309-H354 IonicContact OE2-CE1 3.88Å; E309-H354 IonicContact OE2-NE2 2.85Å
310	L	92.7	Very high	87.3	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.4	173.1	-62.6	180	0	0	0	109.2	V300 I308 M312 S352 I353 I355 L365 I385	V300-L310 HydrophobicContact CB-CD2 4.24Å; V300-L310 HydrophobicContact CG1-CD2 3.85Å; V300-L310 HydrophobicContact CG2-CD2 3.7Å; I308-L310 HydrophobicContact CD1-CD2 4.41Å; I308-L310 HydrophobicContact CD1-CG 4.41Å; L310-M312 HydrophobicContact CB-CE 4.3Å; L310-S352 WeakPolarHBondContact O-CA 3.33Å; L310-S352 WeakPolarHBondContact O-CB 3.28Å; L310-I353 HydrophobicContact CB-CG1 4.01Å; L310-I353 HydrophobicContact CD1-CD1 4.45Å; L310-I353 PolarHBondContact N-O 3.22Å; L310-I353 PolarHBondContact O-N 2.98Å; L310-I353 VanDerWaalsContact O-N 3.14Å; L310-I355 HydrophobicContact CD1-CD1 3.83Å; L310-I355 HydrophobicContact CG-CD1 4.49Å; L310-L365 HydrophobicContact CD1-CD2 4.01Å; L310-I385 HydrophobicContact CD1-CD1 4.09Å
311	Q	93.6	Very high	87.3	Confident	28 Å²	28	57.7 Å²	57.7	13%	0.131	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	130.9	172.7	-58	-173.1	-11.1	0	0	109.7	I297 T298 K299 E309 F350	I297-Q311 CarbonylContact C-O 3.54Å; I297-Q311 WeakPolarHBondContact CA-O 3.27Å; T298-Q311 PolarHBondContact N-O 3.19Å; T298-Q311 WeakPolarHBondContact OG1-CB 3.39Å; T298-Q311 PolarHBondContact OG1-O 2.61Å; T298-Q311 VanDerWaalsContact OG1-O 3.12Å; K299-Q311 HydrophobicContact CB-CB 4.05Å; K299-Q311 HydrophobicContact CB-CG 4.25Å; K299-Q311 PolarHBondContact N-O 3.16Å; K299-Q311 PolarHBondContact O-N 3.4Å; E309-Q311 HydrophobicContact CG-CG 4.24Å; E309-Q311 WeakPolarHBondContact OE1-CG 3.38Å; E309-Q311 PolarHBondContact OE1-NE2 2.99Å; Q311-F350 HydrophobicContact CB-CD2 3.82Å; Q311-F350 HydrophobicContact CB-CE2 4.22Å; Q311-F350 HydrophobicContact CB-CG 4.44Å; Q311-F350 VanDerWaalsContact CD-CE2 3.45Å; Q311-F350 HydrophobicContact CG-CD2 3.86Å; Q311-F350 HydrophobicContact CG-CE2 3.71Å
312	M	94.3	Very high	87.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.5	-170.3	-67.9	174.7	-78	0	0	111.9	V295 V296 I297 L310 I325 F351 I353 I385 V387	V295-M312 HydrophobicContact CG1-CB 3.95Å; V295-M312 HydrophobicContact CG1-CG 4.17Å; V295-M312 HydrophobicContact CG1-SD 4.04Å; V296-M312 CarbonylContact O-C 3.54Å; V296-M312 VanDerWaalsContact O-CA 3.29Å; V296-M312 WeakPolarHBondContact O-CA 3.46Å; I297-M312 HydrophobicContact CG1-CG 4.25Å; L310-M312 HydrophobicContact CB-CE 4.3Å; M312-I325 HydrophobicContact CE-CD1 4.31Å; M312-F351 HydrophobicContact CB-CD1 4.46Å; M312-F351 HydrophobicContact CB-CD2 4.11Å; M312-F351 HydrophobicContact CB-CE1 3.97Å; M312-F351 HydrophobicContact CB-CE2 3.58Å; M312-F351 HydrophobicContact CB-CZ 3.5Å; M312-F351 HydrophobicContact CE-CD2 4.06Å; M312-F351 HydrophobicContact CE-CE2 3.63Å; M312-F351 HydrophobicContact CG-CE2 4.4Å; M312-F351 PolarHBondContact N-O 3.13Å; M312-F351 VanDerWaalsContact O-CD1 3.27Å; M312-F351 WeakPolarHBondContact O-CD1 3.47Å; M312-F351 PolarHBondContact O-N 3.34Å; M312-F351 HydrophobicContact SD-CE2 4.04Å; M312-F351 HydrophobicContact SD-CZ 4.46Å; M312-I353 HydrophobicContact CE-CD1 3.76Å; M312-I353 HydrophobicContact CE-CG1 3.86Å; M312-I385 HydrophobicContact SD-CD1 4.23Å; M312-I385 HydrophobicContact SD-CG2 4.19Å; M312-V387 HydrophobicContact SD-CG2 4.28Å
313	K	92.9	Very high	87.4	Confident	94 Å²	94	53.1 Å²	53.1	41%	0.409	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.3	170.8	-69.1	-168.2	-176.6	-156.1	0	111.3	V296 T298 D349 F350	V296-K313 PolarHBondContact N-O 3.19Å; V296-K313 PolarHBondContact O-N 2.79Å; T298-K313 HydrophobicContact CG2-CB 4.36Å; T298-K313 HydrophobicContact CG2-CD 4.04Å; T298-K313 HydrophobicContact CG2-CG 3.82Å; K313-D349 WeakPolarHBondContact CE-O 3.26Å; K313-D349 PolarHBondContact NZ-O 3.3Å; K313-F350 HydrophobicContact CG-CB 4.12Å
314	K	91.6	Very high	87.8	Confident	21 Å²	21	52.3 Å²	52.3	9%	0.091	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	131.1	-179.8	-179	179.2	-176.6	178.7	0	109.3	R290 Q293 V295 G316 F317 F351 V387	R290-K314 PolarHBondContact O-NZ 2.93Å; Q293-K314 VanDerWaalsContact OE1-NZ 3.12Å; V295-K314 HydrophobicContact CG2-CB 4.34Å; V295-K314 HydrophobicContact CG2-CD 4.03Å; V295-K314 HydrophobicContact CG2-CG 4.23Å; K314-G316 PolarHBondContact O-N 2.91Å; K314-F317 HydrophobicContact CB-CB 3.76Å; K314-F317 HydrophobicContact CB-CG 4.31Å; K314-F317 HydrophobicContact CD-CB 4.24Å; K314-F317 HydrophobicContact CD-CD2 3.92Å; K314-F317 HydrophobicContact CD-CG 4.4Å; K314-F317 HydrophobicContact CG-CB 4.07Å; K314-F317 WeakPolarHBondContact O-CB 3.47Å; K314-F317 PolarHBondContact O-N 3.3Å; K314-F351 HydrophobicContact CB-CE1 3.65Å; K314-F351 HydrophobicContact CB-CZ 4.06Å; K314-V387 PolarHBondContact NZ-O 2.96Å
315	K	89.8	Confident	88.7	Confident	199 Å²	199	49.5 Å²	49.5	87%	0.865	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.4	127.4	-177.6	-174.3	178.5	-179.8	178.9	0	110.6	F317	K315-F317 PolarHBondContact O-N 3.36Å
316	G	86.6	Confident	89.5	Confident	76 Å²	76	47.9 Å²	47.9	78%	0.784	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	13.2	178.2	0	0	0	0	0	114.5	K314	K314-G316 PolarHBondContact O-N 2.91Å
317	F	89.3	Confident	90	Very high	37 Å²	37	40.5 Å²	40.5	16%	0.162	20%	0.201	C	C	.	.			trans	-78.8	122.6	174.3	-173	-95.9	0	0	0	109.6	K314 K315 M319 I325 L342 F351 V387 P390	K314-F317 HydrophobicContact CB-CB 3.76Å; K314-F317 HydrophobicContact CB-CG 4.31Å; K314-F317 HydrophobicContact CD-CB 4.24Å; K314-F317 HydrophobicContact CD-CD2 3.92Å; K314-F317 HydrophobicContact CD-CG 4.4Å; K314-F317 HydrophobicContact CG-CB 4.07Å; K314-F317 WeakPolarHBondContact O-CB 3.47Å; K314-F317 PolarHBondContact O-N 3.3Å; K315-F317 PolarHBondContact O-N 3.36Å; F317-M319 HydrophobicContact CE1-CB 3.93Å; F317-M319 HydrophobicContact CE1-CG 4.47Å; F317-M319 HydrophobicContact CE1-SD 4.27Å; F317-M319 HydrophobicContact CZ-CB 4.48Å; F317-I325 HydrophobicContact CE2-CG2 4.19Å; F317-I325 HydrophobicContact CZ-CG2 3.83Å; F317-L342 HydrophobicContact CE1-CD1 4.43Å; F317-L342 HydrophobicContact CZ-CD1 4.22Å; F317-F351 HydrophobicContact CD1-CB 4.25Å; F317-F351 AromaticContact CD1-CD1 3.41Å; F317-F351 HydrophobicContact CD1-CD1 3.41Å; F317-F351 VanDerWaalsContact CD1-CD1 3.41Å; F317-F351 AromaticContact CD1-CE1 3.83Å; F317-F351 HydrophobicContact CD1-CE1 3.83Å; F317-F351 AromaticContact CD1-CG 3.86Å; F317-F351 HydrophobicContact CD1-CG 3.86Å; F317-F351 HydrophobicContact CE1-CB 3.78Å; F317-F351 AromaticContact CE1-CD1 3.6Å; F317-F351 HydrophobicContact CE1-CD1 3.6Å; F317-F351 HydrophobicContact CE1-CD2 4.02Å; F317-F351 HydrophobicContact CE1-CE1 4.15Å; F317-F351 AromaticContact CE1-CG 3.53Å; F317-F351 HydrophobicContact CE1-CG 3.53Å; F317-F351 HydrophobicContact CG-CD1 4.17Å; F317-F351 HydrophobicContact CG-CE1 4.14Å; F317-F351 HydrophobicContact CZ-CD1 4.48Å; F317-F351 HydrophobicContact CZ-CD2 4.33Å; F317-F351 HydrophobicContact CZ-CG 4.28Å; F317-V387 HydrophobicContact CE2-CG1 4.33Å; F317-P390 HydrophobicContact CE2-CB 4.45Å; F317-P390 HydrophobicContact CE2-CG 4.38Å; F317-P390 HydrophobicContact CZ-CB 4.18Å; F317-P390 HydrophobicContact CZ-CG 4.36Å
318	K	88.1	Confident	90.4	Very high	183 Å²	183	42.1 Å²	42.1	80%	0.796	21%	0.208	S	C	*	.			trans	-124.4	132.8	174.1	-65.4	-175.2	176.9	-173.3	0	107.3	P390	K318-P390 VanDerWaalsContact O-CG 3.26Å; K318-P390 WeakPolarHBondContact O-CG 3.23Å
319	M	89.5	Confident	90.5	Very high	16 Å²	16	42.1 Å²	42.1	8%	0.079	21%	0.208	C	C	.	.			trans	-123.7	155.6	-180	67.1	-171.4	176.9	0	0	110.7	F317 L342 S344 A345 P346 F351	F317-M319 HydrophobicContact CE1-CB 3.93Å; F317-M319 HydrophobicContact CE1-CG 4.47Å; F317-M319 HydrophobicContact CE1-SD 4.27Å; F317-M319 HydrophobicContact CZ-CB 4.48Å; M319-L342 HydrophobicContact CB-CD1 3.63Å; M319-L342 HydrophobicContact CG-CD1 4.28Å; M319-L342 HydrophobicContact SD-CB 4.36Å; M319-L342 HydrophobicContact SD-CD1 3.83Å; M319-L342 HydrophobicContact SD-CD2 4.44Å; M319-L342 HydrophobicContact SD-CG 4.45Å; M319-S344 WeakPolarHBondContact CE-OG 3.46Å; M319-S344 PolarHBondContact SD-OG 3.2Å; M319-A345 VanDerWaalsContact CE-C 3.44Å; M319-A345 WeakPolarHBondContact CE-O 3.35Å; M319-P346 WeakPolarHBondContact O-CB 3.24Å; M319-P346 WeakPolarHBondContact O-CG 3.37Å; M319-F351 HydrophobicContact CE-CB 4.08Å; M319-F351 HydrophobicContact SD-CB 3.5Å; M319-F351 WeakPolarHBondContact SD-CB 3.38Å
320	E	88	Confident	90.6	Very high	106 Å²	106	44.2 Å²	44.2	50%	0.495	22%	0.223	S	C	.	.			trans	-112.3	164.4	168.7	-65.3	-65.2	158.1	0	0	109.9	Q323 E396	E320-Q323 HydrophobicContact CB-CG 4.01Å; E320-Q323 WeakPolarHBondContact O-CB 3.45Å; E320-Q323 WeakPolarHBondContact O-CG 3.43Å; E320-Q323 PolarHBondContact O-N 3.05Å; E320-E396 HydrophobicContact CB-CG 4.32Å
321	V	88.6	Confident	90.4	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	139.2	-178.6	-67.5	0	0	0	0	112.4	Q323 P346 F399 I419	V321-Q323 PolarHBondContact O-N 3.49Å; V321-Q323 VanDerWaalsContact O-N 3.13Å; V321-P346 HydrophobicContact CG1-CG 3.91Å; V321-F399 HydrophobicContact CB-CE2 4.33Å; V321-F399 HydrophobicContact CG1-CE2 3.89Å; V321-F399 HydrophobicContact CG1-CZ 4.39Å; V321-F399 HydrophobicContact CG2-CD2 4.02Å; V321-F399 HydrophobicContact CG2-CE2 3.54Å; V321-I419 HydrophobicContact CB-CG1 3.98Å; V321-I419 HydrophobicContact CG2-CG1 4.24Å
322	G	84.7	Confident	90.2	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	2.1	175.5	0	0	0	0	0	115.2	T393	G322-T393 VanDerWaalsContact O-CG2 3.3Å; G322-T393 WeakPolarHBondContact O-CG2 3.41Å; G322-T393 PolarHBondContact O-OG1 3.03Å
323	Q	89.4	Confident	90	Very high	20 Å²	20	52.7 Å²	52.7	9%	0.093	27%	0.266	C	S	.	.			trans	-65.6	160.6	172.7	-70	-169.6	-35.7	0	0	111.6	E320 V321 L342 P390 F391 E396	E320-Q323 HydrophobicContact CB-CG 4.01Å; E320-Q323 WeakPolarHBondContact O-CB 3.45Å; E320-Q323 WeakPolarHBondContact O-CG 3.43Å; E320-Q323 PolarHBondContact O-N 3.05Å; V321-Q323 PolarHBondContact O-N 3.49Å; V321-Q323 VanDerWaalsContact O-N 3.13Å; Q323-L342 HydrophobicContact CB-CD1 4.1Å; Q323-L342 WeakPolarHBondContact O-CB 3.41Å; Q323-L342 PolarHBondContact O-N 2.91Å; Q323-P390 HydrophobicContact CB-CB 4.1Å; Q323-P390 VanDerWaalsContact OE1-CG 3.23Å; Q323-F391 WeakPolarHBondContact CA-O 3.48Å; Q323-F391 WeakPolarHBondContact CB-O 3.32Å; Q323-E396 HydrophobicContact CG-CG 4.12Å; Q323-E396 VanDerWaalsContact CG-OE1 3.23Å; Q323-E396 WeakPolarHBondContact CG-OE1 3.24Å; Q323-E396 PolarHBondContact NE2-OE1 2.99Å
324	Y	90.4	Very high	89.7	Confident	25 Å²	25	56 Å²	56	10%	0.098	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	161.8	176.4	73.3	-77.9	0	0	0	111.7	F326 P339 F340 F391 T393 F570	Y324-F326 HydrophobicContact CD2-CE2 4.28Å; Y324-F326 HydrophobicContact CE2-CD2 4.17Å; Y324-F326 AromaticContact CE2-CE2 3.49Å; Y324-F326 HydrophobicContact CE2-CE2 3.49Å; Y324-F326 VanDerWaalsContact CE2-CE2 3.49Å; Y324-F326 HydrophobicContact CE2-CZ 4.06Å; Y324-P339 HydrophobicContact CD2-CB 4.08Å; Y324-P339 HydrophobicContact CE2-CB 4.36Å; Y324-F340 CarbonylContact C-O 3.55Å; Y324-F340 WeakPolarHBondContact CA-O 3.25Å; Y324-F340 WeakPolarHBondContact CB-O 3.16Å; Y324-F391 HydrophobicContact CD1-CB 4.02Å; Y324-F391 WeakPolarHBondContact CD1-O 3.29Å; Y324-F391 HydrophobicContact CE1-CB 3.53Å; Y324-F391 HydrophobicContact CE2-CB 4.16Å; Y324-F391 HydrophobicContact CE2-CD2 4.21Å; Y324-F391 PolarHBondContact N-O 3.48Å; Y324-F391 PolarHBondContact O-N 2.97Å; Y324-T393 HydrophobicContact CD1-CG2 3.46Å; Y324-T393 VanDerWaalsContact CD1-CG2 3.46Å; Y324-T393 HydrophobicContact CE1-CG2 3.89Å; Y324-F570 HydrophobicContact CD1-CD1 4.1Å; Y324-F570 HydrophobicContact CD1-CE1 4.12Å; Y324-F570 HydrophobicContact CG-CD1 4.17Å; Y324-F570 HydrophobicContact CG-CE1 4.41Å
325	I	92.3	Very high	89.3	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	155.5	178.4	55.3	167.5	0	0	0	110.5	M312 F317 V327 P339 F340 L342 F351 I353 V387 D388 P390	M312-I325 HydrophobicContact CE-CD1 4.31Å; F317-I325 HydrophobicContact CE2-CG2 4.19Å; F317-I325 HydrophobicContact CZ-CG2 3.83Å; I325-V327 HydrophobicContact CD1-CG2 3.78Å; I325-V327 HydrophobicContact CG1-CG2 4.04Å; I325-P339 CarbonylContact O-C 3.58Å; I325-P339 WeakPolarHBondContact O-CA 3.33Å; I325-F340 PolarHBondContact N-O 3.41Å; I325-F340 PolarHBondContact O-N 3.27Å; I325-L342 HydrophobicContact CD1-CD2 3.91Å; I325-L342 HydrophobicContact CG1-CD2 3.97Å; I325-L342 HydrophobicContact CG2-CD1 4.13Å; I325-L342 HydrophobicContact CG2-CD2 4.02Å; I325-L342 HydrophobicContact CG2-CG 4.22Å; I325-F351 HydrophobicContact CD1-CD2 4.2Å; I325-F351 HydrophobicContact CD1-CE2 3.97Å; I325-I353 HydrophobicContact CD1-CG2 3.8Å; I325-I353 HydrophobicContact CG1-CG2 4.02Å; I325-V387 HydrophobicContact CB-CG1 4Å; I325-V387 HydrophobicContact CD1-CG1 3.8Å; I325-V387 HydrophobicContact CD1-CG2 4.34Å; I325-V387 HydrophobicContact CG1-CG1 4.5Å; I325-V387 HydrophobicContact CG2-CG1 4.02Å; I325-D388 WeakPolarHBondContact CA-O 3.35Å; I325-P390 HydrophobicContact CG2-CB 4.37Å
326	F	92.3	Very high	89.1	Confident	22 Å²	22	52.8 Å²	52.8	10%	0.096	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	131.8	164.8	-76.5	-93.9	0	0	0	109.6	R73 Y324 W337 H338 P339 V387 D388 F391	R73-F326 VanDerWaalsContact NH1-CE2 3.27Å; Y324-F326 HydrophobicContact CD2-CE2 4.28Å; Y324-F326 HydrophobicContact CE2-CD2 4.17Å; Y324-F326 AromaticContact CE2-CE2 3.49Å; Y324-F326 HydrophobicContact CE2-CE2 3.49Å; Y324-F326 VanDerWaalsContact CE2-CE2 3.49Å; Y324-F326 HydrophobicContact CE2-CZ 4.06Å; F326-W337 HydrophobicContact CB-CB 4.34Å; F326-W337 HydrophobicContact CB-CE3 3.87Å; F326-W337 HydrophobicContact CD1-CB 4.03Å; F326-H338 WeakPolarHBondContact CA-O 3.44Å; F326-P339 HydrophobicContact CD1-CB 4.12Å; F326-P339 HydrophobicContact CE1-CB 3.77Å; F326-P339 HydrophobicContact CE1-CG 4.11Å; F326-P339 HydrophobicContact CZ-CB 3.99Å; F326-V387 WeakPolarHBondContact O-CA 3.42Å; F326-D388 HydrophobicContact CB-CB 4.25Å; F326-D388 PolarHBondContact N-O 3.08Å; F326-D388 PolarHBondContact O-N 3.28Å; F326-F391 AromaticContact CD2-CD2 3.81Å; F326-F391 HydrophobicContact CD2-CD2 3.81Å; F326-F391 AromaticContact CD2-CE2 3.55Å; F326-F391 HydrophobicContact CD2-CE2 3.55Å; F326-F391 HydrophobicContact CE2-CD2 4.08Å; F326-F391 HydrophobicContact CE2-CE2 4.08Å
327	V	93	Very high	89.2	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.9	-177.3	-178.8	0	0	0	0	109.1	I325 W337 H338 F340 I353 W361 I385	I325-V327 HydrophobicContact CD1-CG2 3.78Å; I325-V327 HydrophobicContact CG1-CG2 4.04Å; V327-W337 WeakPolarHBondContact O-CA 3.25Å; V327-H338 PolarHBondContact N-O 2.97Å; V327-H338 PolarHBondContact O-N 3.03Å; V327-F340 HydrophobicContact CB-CD2 4Å; V327-F340 HydrophobicContact CB-CE2 4.28Å; V327-F340 HydrophobicContact CG2-CD2 3.85Å; V327-I353 HydrophobicContact CG2-CD1 3.71Å; V327-W361 HydrophobicContact CB-CH2 4.44Å; V327-W361 HydrophobicContact CG1-CH2 4.13Å; V327-I385 HydrophobicContact CG1-CG2 3.6Å
328	K	92.5	Very high	89.2	Confident	38 Å²	38	53.4 Å²	53.4	17%	0.165	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.5	170.5	173.1	176.6	71.5	169.5	0	109.9	K334 E336 W337 A386	K328-K334 WeakPolarHBondContact CD-O 3.34Å; K328-E336 WeakPolarHBondContact CB-O 3.32Å; K328-E336 VanDerWaalsContact CG-O 3.29Å; K328-E336 WeakPolarHBondContact CG-O 3.16Å; K328-W337 HydrophobicContact CB-CD2 3.62Å; K328-W337 HydrophobicContact CB-CE3 3.54Å; K328-W337 HydrophobicContact CB-CG 4.27Å; K328-W337 HydrophobicContact CB-CH2 4Å; K328-W337 HydrophobicContact CB-CZ2 4.06Å; K328-W337 HydrophobicContact CB-CZ3 3.73Å; K328-W337 HydrophobicContact CD-CD2 4.34Å; K328-W337 HydrophobicContact CD-CZ2 3.95Å; K328-W337 VanDerWaalsContact CE-CZ2 3.46Å; K328-A386 HydrophobicContact CB-CB 4.33Å; K328-A386 PolarHBondContact N-O 2.67Å; K328-A386 PolarHBondContact O-N 3.32Å
329	C	91.9	Very high	89.4	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.227	C	C	.	.			trans	-115.6	100.7	173.4	-176.7	0	0	0	0	109.6	K331 V332 S333 W361 L365	C329-K331 PolarHBondContact O-N 2.83Å; C329-V332 HydrophobicContact CB-CB 4.38Å; C329-V332 HydrophobicContact CB-CG2 4.16Å; C329-V332 PolarHBondContact O-N 2.64Å; C329-S333 CarbonylContact C-O 3.52Å; C329-S333 PolarHBondContact O-N 3.08Å; C329-W361 HydrophobicContact CB-CZ2 4.16Å; C329-L365 HydrophobicContact CB-CD1 3.89Å
330	P	90.7	Very high	89.4	Confident	61 Å²	61	47.6 Å²	47.6	40%	0.396	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17	-178.6	-25.6	36.3	0	0	0	115.3	V332 S333 K384	P330-V332 VanDerWaalsContact C-N 3.35Å; P330-S333 WeakPolarHBondContact CA-O 3.45Å; P330-K384 WeakPolarHBondContact CD-O 3.34Å
331	K	89.6	Confident	89.6	Confident	137 Å²	137	43.1 Å²	43.1	60%	0.596	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-27.5	173.9	-172.5	175.1	172.9	-171.7	0	112.1	C329 A368 P383	C329-K331 PolarHBondContact O-N 2.83Å; K331-A368 HydrophobicContact CD-CB 3.99Å; K331-A368 HydrophobicContact CG-CB 4.41Å; K331-A368 PolarHBondContact NZ-O 3.22Å; K331-A368 VanDerWaalsContact NZ-O 3.15Å; K331-P383 HydrophobicContact CB-CB 4.34Å; K331-P383 HydrophobicContact CD-CB 4.13Å
332	V	89.3	Confident	89.8	Confident	48 Å²	48	43 Å²	43	29%	0.291	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-57.3	177.3	-178.4	0	0	0	0	109.8	C329 P330 W361 G364 L365 A368	C329-V332 HydrophobicContact CB-CB 4.38Å; C329-V332 HydrophobicContact CB-CG2 4.16Å; C329-V332 PolarHBondContact O-N 2.64Å; P330-V332 VanDerWaalsContact C-N 3.35Å; V332-W361 HydrophobicContact CG1-CG 4.12Å; V332-G364 VanDerWaalsContact CG2-C 3.43Å; V332-G364 WeakPolarHBondContact CG2-O 3.09Å; V332-L365 HydrophobicContact CG2-CB 4.45Å; V332-A368 HydrophobicContact CG2-CB 4.12Å
333	S	89.1	Confident	90.1	Very high	21 Å²	21	43 Å²	43	15%	0.147	21%	0.209	C	C	.	.			trans	-146.5	136.4	179.4	178.3	0	0	0	0	110.6	C329 P330 E336	C329-S333 CarbonylContact C-O 3.52Å; C329-S333 PolarHBondContact O-N 3.08Å; P330-S333 WeakPolarHBondContact CA-O 3.45Å; S333-E336 VanDerWaalsContact CB-OE1 3.26Å; S333-E336 WeakPolarHBondContact CB-OE1 3.47Å; S333-E336 VanDerWaalsContact OG-CD 3.25Å; S333-E336 WeakPolarHBondContact OG-CG 3.26Å; S333-E336 PolarHBondContact OG-N 3.4Å; S333-E336 PolarHBondContact OG-OE1 2.83Å
334	K	86.9	Confident	90.2	Very high	165 Å²	165	42.1 Å²	42.1	72%	0.717	21%	0.205	S	C	*	.	S	Bend	trans	-78.5	-21.1	-177.1	-68.3	-177.7	-178.3	175.2	0	113.2	K328	K328-K334 WeakPolarHBondContact CD-O 3.34Å
335	L	83.5	Confident	90.2	Very high	107 Å²	107	40.9 Å²	40.9	56%	0.56	20%	0.2	S	C	*	.	S	Bend	trans	-117	-28.5	-169.1	-62.2	179.3	0	0	0	113.3
336	E	86.1	Confident	90.1	Very high	44 Å²	44	42.8 Å²	42.8	21%	0.206	21%	0.213	C	C	.	.			trans	-74.2	140.4	-175.1	-73.4	161.1	-119.8	0	0	113.4	K328 S333 H338	K328-E336 WeakPolarHBondContact CB-O 3.32Å; K328-E336 VanDerWaalsContact CG-O 3.29Å; K328-E336 WeakPolarHBondContact CG-O 3.16Å; S333-E336 VanDerWaalsContact CB-OE1 3.26Å; S333-E336 WeakPolarHBondContact CB-OE1 3.47Å; S333-E336 VanDerWaalsContact OG-CD 3.25Å; S333-E336 WeakPolarHBondContact OG-CG 3.26Å; S333-E336 PolarHBondContact OG-N 3.4Å; S333-E336 PolarHBondContact OG-OE1 2.83Å; E336-H338 IonicContact OE2-CE1 3.18Å; E336-H338 IonicContact OE2-NE2 3.88Å; E336-H338 PolarHBondContact OE2-NE2 3.36Å; E336-H338 VanDerWaalsContact OE2-NE2 3.1Å
337	W	89	Confident	90	Very high	79 Å²	79	45 Å²	45	30%	0.299	22%	0.223	S	C	.	.			trans	-127.9	122.9	175.1	-70.4	88.2	0	0	0	108.8	F326 V327 K328 A386 D388	F326-W337 HydrophobicContact CB-CB 4.34Å; F326-W337 HydrophobicContact CB-CE3 3.87Å; F326-W337 HydrophobicContact CD1-CB 4.03Å; V327-W337 WeakPolarHBondContact O-CA 3.25Å; K328-W337 HydrophobicContact CB-CD2 3.62Å; K328-W337 HydrophobicContact CB-CE3 3.54Å; K328-W337 HydrophobicContact CB-CG 4.27Å; K328-W337 HydrophobicContact CB-CH2 4Å; K328-W337 HydrophobicContact CB-CZ2 4.06Å; K328-W337 HydrophobicContact CB-CZ3 3.73Å; K328-W337 HydrophobicContact CD-CD2 4.34Å; K328-W337 HydrophobicContact CD-CZ2 3.95Å; K328-W337 VanDerWaalsContact CE-CZ2 3.46Å; W337-A386 HydrophobicContact CH2-CB 3.75Å; W337-A386 HydrophobicContact CZ3-CB 4.2Å; W337-A386 WeakPolarHBondContact CZ3-O 3.21Å; W337-D388 HydrophobicContact CE3-CB 4.38Å; W337-D388 HydrophobicContact CH2-CB 4.32Å; W337-D388 HydrophobicContact CZ3-CB 3.89Å
338	H	89	Confident	89.9	Confident	47 Å²	47	46.3 Å²	46.3	22%	0.218	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	131.4	-177.3	-69.7	-92.3	0	0	0	110.6	F326 V327 E336 F340 W361	F326-H338 WeakPolarHBondContact CA-O 3.44Å; V327-H338 PolarHBondContact N-O 2.97Å; V327-H338 PolarHBondContact O-N 3.03Å; E336-H338 IonicContact OE2-CE1 3.18Å; E336-H338 IonicContact OE2-NE2 3.88Å; E336-H338 PolarHBondContact OE2-NE2 3.36Å; E336-H338 VanDerWaalsContact OE2-NE2 3.1Å; H338-F340 HydrophobicContact CB-CD2 4.47Å; H338-F340 HydrophobicContact CB-CE2 3.61Å; H338-F340 HydrophobicContact CB-CZ 3.98Å; H338-W361 HydrophobicContact CB-CD2 4.49Å; H338-W361 HydrophobicContact CB-CE3 4.19Å; H338-W361 HydrophobicContact CB-CH2 4.16Å; H338-W361 HydrophobicContact CB-CZ2 4.45Å; H338-W361 HydrophobicContact CB-CZ3 4.04Å; H338-W361 AromaticContact CD2-CD1 3.56Å; H338-W361 AromaticContact CD2-CD2 3.21Å; H338-W361 AromaticContact CD2-CE2 3.27Å; H338-W361 AromaticContact CD2-CE3 3.75Å; H338-W361 AromaticContact CD2-CG 3.42Å; H338-W361 VanDerWaalsContact CD2-CG 3.42Å; H338-W361 AromaticContact CD2-CZ2 3.83Å; H338-W361 AromaticContact CD2-NE1 3.45Å; H338-W361 PolarHBondContact CD2-NE1 3.28Å; H338-W361 AromaticContact CE1-CG 3.86Å; H338-W361 AromaticContact CG-CD2 3.8Å; H338-W361 AromaticContact CG-CE3 3.85Å; H338-W361 AromaticContact NE2-CD1 3.29Å; H338-W361 VanDerWaalsContact NE2-CD1 3.29Å; H338-W361 AromaticContact NE2-CD2 3.5Å; H338-W361 AromaticContact NE2-CE2 3.86Å; H338-W361 AromaticContact NE2-CG 3.13Å; H338-W361 AromaticContact NE2-NE1 3.7Å
339	P	90.8	Very high	89.8	Confident	46 Å²	46	51.3 Å²	51.3	30%	0.299	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	134.7	179.8	31.3	-32.2	0	0	0	111.6	Y324 I325 F326	Y324-P339 HydrophobicContact CD2-CB 4.08Å; Y324-P339 HydrophobicContact CE2-CB 4.36Å; I325-P339 CarbonylContact O-C 3.58Å; I325-P339 WeakPolarHBondContact O-CA 3.33Å; F326-P339 HydrophobicContact CD1-CB 4.12Å; F326-P339 HydrophobicContact CE1-CB 3.77Å; F326-P339 HydrophobicContact CE1-CG 4.11Å; F326-P339 HydrophobicContact CZ-CB 3.99Å
340	F	91.4	Very high	89.9	Confident	32 Å²	32	53.5 Å²	53.5	14%	0.14	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	136	173.5	-63.9	-73.2	0	0	0	111.2	Y324 I325 V327 H338 I353 I355 W361	Y324-F340 CarbonylContact C-O 3.55Å; Y324-F340 WeakPolarHBondContact CA-O 3.25Å; Y324-F340 WeakPolarHBondContact CB-O 3.16Å; I325-F340 PolarHBondContact N-O 3.41Å; I325-F340 PolarHBondContact O-N 3.27Å; V327-F340 HydrophobicContact CB-CD2 4Å; V327-F340 HydrophobicContact CB-CE2 4.28Å; V327-F340 HydrophobicContact CG2-CD2 3.85Å; H338-F340 HydrophobicContact CB-CD2 4.47Å; H338-F340 HydrophobicContact CB-CE2 3.61Å; H338-F340 HydrophobicContact CB-CZ 3.98Å; F340-I353 HydrophobicContact CB-CB 4.03Å; F340-I353 HydrophobicContact CB-CD1 4.11Å; F340-I353 HydrophobicContact CB-CG2 3.96Å; F340-I353 HydrophobicContact CD2-CD1 4.11Å; F340-I353 HydrophobicContact CG-CD1 4.22Å; F340-I355 HydrophobicContact CD1-CG1 3.81Å; F340-I355 HydrophobicContact CD2-CD1 4.33Å; F340-I355 HydrophobicContact CD2-CG1 4.46Å; F340-I355 HydrophobicContact CE1-CB 4.12Å; F340-I355 HydrophobicContact CE1-CD1 4.28Å; F340-I355 HydrophobicContact CE1-CG1 3.75Å; F340-I355 HydrophobicContact CE1-CG2 3.68Å; F340-I355 HydrophobicContact CE2-CD1 4.07Å; F340-I355 HydrophobicContact CE2-CG1 4.38Å; F340-I355 HydrophobicContact CG-CG1 4.18Å; F340-I355 HydrophobicContact CZ-CD1 4.05Å; F340-I355 HydrophobicContact CZ-CG1 4.05Å; F340-I355 HydrophobicContact CZ-CG2 3.86Å; F340-W361 AromaticContact CE2-CH2 3.87Å; F340-W361 HydrophobicContact CE2-CH2 3.87Å; F340-W361 AromaticContact CE2-CZ3 3.58Å; F340-W361 HydrophobicContact CE2-CZ3 3.58Å; F340-W361 HydrophobicContact CZ-CE3 4.41Å; F340-W361 HydrophobicContact CZ-CH2 4.42Å; F340-W361 AromaticContact CZ-CZ3 3.66Å; F340-W361 HydrophobicContact CZ-CZ3 3.66Å
341	T	91.3	Very high	90.1	Very high	12 Å²	12	50.9 Å²	50.9	7%	0.074	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	138.6	175.8	-51.8	0	0	0	0	110.6	T343 P415 F570	T341-T343 PolarHBondContact O-N 3.36Å; T341-P415 HydrophobicContact CG2-CB 3.72Å; T341-P415 HydrophobicContact CG2-CG 4.35Å; T341-F570 HydrophobicContact CG2-CZ 4.45Å
342	L	92.3	Very high	90.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-72.4	125.3	174.4	-64.2	170.5	0	0	0	109.2	F317 M319 Q323 I325 F351 S352 I353 P390 S418	F317-L342 HydrophobicContact CE1-CD1 4.43Å; F317-L342 HydrophobicContact CZ-CD1 4.22Å; M319-L342 HydrophobicContact CB-CD1 3.63Å; M319-L342 HydrophobicContact CG-CD1 4.28Å; M319-L342 HydrophobicContact SD-CB 4.36Å; M319-L342 HydrophobicContact SD-CD1 3.83Å; M319-L342 HydrophobicContact SD-CD2 4.44Å; M319-L342 HydrophobicContact SD-CG 4.45Å; Q323-L342 HydrophobicContact CB-CD1 4.1Å; Q323-L342 WeakPolarHBondContact O-CB 3.41Å; Q323-L342 PolarHBondContact O-N 2.91Å; I325-L342 HydrophobicContact CD1-CD2 3.91Å; I325-L342 HydrophobicContact CG1-CD2 3.97Å; I325-L342 HydrophobicContact CG2-CD1 4.13Å; I325-L342 HydrophobicContact CG2-CD2 4.02Å; I325-L342 HydrophobicContact CG2-CG 4.22Å; L342-F351 HydrophobicContact CD2-CB 4.18Å; L342-F351 HydrophobicContact CD2-CD2 3.95Å; L342-F351 HydrophobicContact CD2-CG 4.49Å; L342-S352 WeakPolarHBondContact CA-O 3.06Å; L342-I353 HydrophobicContact CD2-CG2 4.02Å; L342-P390 HydrophobicContact CD1-CB 4.22Å; L342-S418 WeakPolarHBondContact O-CB 3.38Å
343	T	91.2	Very high	90.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.			trans	-100.6	-20.1	-178.2	47.5	0	0	0	0	113.1	T341 S352 H354 T414 S418	T341-T343 PolarHBondContact O-N 3.36Å; T343-S352 PolarHBondContact N-O 3.31Å; T343-S352 VanDerWaalsContact OG1-C 3.31Å; T343-S352 PolarHBondContact OG1-O 2.91Å; T343-S352 VanDerWaalsContact OG1-O 3.06Å; T343-S352 PolarHBondContact OG1-OG 2.91Å; T343-H354 VanDerWaalsContact CB-ND1 3.31Å; T343-H354 WeakPolarHBondContact CB-ND1 3.42Å; T343-H354 HydrophobicContact CG2-CB 4.02Å; T343-H354 VanDerWaalsContact CG2-ND1 3.34Å; T343-H354 WeakPolarHBondContact CG2-ND1 3.22Å; T343-H354 PolarHBondContact OG1-CE1 2.97Å; T343-H354 PolarHBondContact OG1-ND1 2.63Å; T343-T414 HydrophobicContact CG2-CG2 3.84Å; T343-S418 WeakPolarHBondContact O-CA 3.39Å; T343-S418 PolarHBondContact O-N 2.82Å
344	S	91.8	Very high	90.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-71.2	153.2	172.1	47.7	0	0	0	0	112	M319 E348 F351 S352 S418	M319-S344 WeakPolarHBondContact CE-OG 3.46Å; M319-S344 PolarHBondContact SD-OG 3.2Å; S344-E348 WeakPolarHBondContact CA-OE2 3.24Å; S344-E348 WeakPolarHBondContact CB-OE2 3.37Å; S344-F351 VanDerWaalsContact OG-CA 3.25Å; S344-F351 WeakPolarHBondContact OG-CA 3.41Å; S344-S352 PolarHBondContact N-OG 3.19Å; S344-S352 PolarHBondContact OG-N 2.81Å; S344-S418 VanDerWaalsContact O-CB 3.32Å; S344-S418 WeakPolarHBondContact O-CB 3.31Å; S344-S418 PolarHBondContact O-OG 3.29Å
345	A	91.3	Very high	90.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.17	C	C	.	.			trans	-86.2	147.9	173.8	0	0	0	0	0	111.3	M319 E347 E348 K421 Y425	M319-A345 VanDerWaalsContact CE-C 3.44Å; M319-A345 WeakPolarHBondContact CE-O 3.35Å; A345-E347 VanDerWaalsContact CB-OE2 3.31Å; A345-E347 WeakPolarHBondContact CB-OE2 3.35Å; A345-E347 PolarHBondContact O-N 3.29Å; A345-E348 HydrophobicContact CB-CG 4.3Å; A345-E348 PolarHBondContact N-OE2 3.48Å; A345-E348 WeakPolarHBondContact O-CB 3.33Å; A345-E348 PolarHBondContact O-N 3.07Å; A345-K421 HydrophobicContact CB-CB 3.71Å; A345-Y425 HydrophobicContact CB-CD2 3.74Å; A345-Y425 HydrophobicContact CB-CE2 3.72Å
346	P	90.2	Very high	90.8	Very high	40 Å²	40	33.1 Å²	33.1	26%	0.26	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.8	176	-29.7	37.8	0	0	0	114.9	M319 V321 E348	M319-P346 WeakPolarHBondContact O-CB 3.24Å; M319-P346 WeakPolarHBondContact O-CG 3.37Å; V321-P346 HydrophobicContact CG1-CG 3.91Å; P346-E348 VanDerWaalsContact C-N 3.29Å
347	E	89.5	Confident	90.9	Very high	67 Å²	67	32.3 Å²	32.3	31%	0.313	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-10.3	179.2	-58.6	84.2	175.8	0	0	113.6	A345 S422 Y425 K426	A345-E347 VanDerWaalsContact CB-OE2 3.31Å; A345-E347 WeakPolarHBondContact CB-OE2 3.35Å; A345-E347 PolarHBondContact O-N 3.29Å; E347-S422 PolarHBondContact OE1-OG 3.39Å; E347-S422 WeakPolarHBondContact OE2-CA 3.44Å; E347-S422 WeakPolarHBondContact OE2-CB 3.4Å; E347-S422 PolarHBondContact OE2-OG 3.34Å; E347-Y425 HydrophobicContact CB-CD1 4.32Å; E347-Y425 HydrophobicContact CB-CD2 3.76Å; E347-Y425 HydrophobicContact CB-CE2 4.35Å; E347-Y425 HydrophobicContact CB-CG 3.75Å; E347-Y425 HydrophobicContact CG-CD2 4.32Å; E347-Y425 HydrophobicContact CG-CG 4.16Å; E347-K426 VanDerWaalsContact OE1-CE 3.24Å; E347-K426 WeakPolarHBondContact OE1-CE 3.31Å
348	E	90.5	Very high	90.6	Very high	28 Å²	28	34 Å²	34	13%	0.131	18%	0.175	C	C	.	.	S	Bend	trans	-85.2	146.3	178.1	-65.5	175.2	159.7	0	0	112.2	S344 A345 P346 F350 K421 Y425	S344-E348 WeakPolarHBondContact CA-OE2 3.24Å; S344-E348 WeakPolarHBondContact CB-OE2 3.37Å; A345-E348 HydrophobicContact CB-CG 4.3Å; A345-E348 PolarHBondContact N-OE2 3.48Å; A345-E348 WeakPolarHBondContact O-CB 3.33Å; A345-E348 PolarHBondContact O-N 3.07Å; P346-E348 VanDerWaalsContact C-N 3.29Å; E348-F350 HydrophobicContact CB-CE1 4.4Å; E348-F350 PolarHBondContact O-N 3.05Å; E348-F350 VanDerWaalsContact O-N 3.14Å; E348-K421 IonicContact OE1-NZ 3.81Å; E348-Y425 HydrophobicContact CG-CE2 3.75Å; E348-Y425 WeakPolarHBondContact CG-OH 3.48Å; E348-Y425 PolarHBondContact OE1-OH 3.47Å
349	D	90.9	Very high	90.4	Very high	143 Å²	143	33.2 Å²	33.2	77%	0.765	18%	0.179	S	C	*	.	S	Bend	trans	-72.7	-1.9	-179.3	-76.1	-30.9	0	0	0	114.9	K313	K313-D349 WeakPolarHBondContact CE-O 3.26Å; K313-D349 PolarHBondContact NZ-O 3.3Å
350	F	93.1	Very high	90.2	Very high	47 Å²	47	37.3 Å²	37.3	21%	0.206	20%	0.199	C	C	.	.	S	Bend	trans	-136.6	160	179.8	63.1	-90.5	0	0	0	109.1	Q311 K313 E348	Q311-F350 HydrophobicContact CB-CD2 3.82Å; Q311-F350 HydrophobicContact CB-CE2 4.22Å; Q311-F350 HydrophobicContact CB-CG 4.44Å; Q311-F350 VanDerWaalsContact CD-CE2 3.45Å; Q311-F350 HydrophobicContact CG-CD2 3.86Å; Q311-F350 HydrophobicContact CG-CE2 3.71Å; K313-F350 HydrophobicContact CG-CB 4.12Å; E348-F350 HydrophobicContact CB-CE1 4.4Å; E348-F350 PolarHBondContact O-N 3.05Å; E348-F350 VanDerWaalsContact O-N 3.14Å
351	F	94.4	Very high	90.2	Very high	5 Å²	5	36 Å²	36	2%	0.022	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	139.7	168.3	65.7	-87.2	0	0	0	109.9	V295 M312 K314 F317 M319 I325 L342 S344 V387	V295-F351 HydrophobicContact CG1-CZ 4.04Å; M312-F351 HydrophobicContact CB-CD1 4.46Å; M312-F351 HydrophobicContact CB-CD2 4.11Å; M312-F351 HydrophobicContact CB-CE1 3.97Å; M312-F351 HydrophobicContact CB-CE2 3.58Å; M312-F351 HydrophobicContact CB-CZ 3.5Å; M312-F351 HydrophobicContact CE-CD2 4.06Å; M312-F351 HydrophobicContact CE-CE2 3.63Å; M312-F351 HydrophobicContact CG-CE2 4.4Å; M312-F351 PolarHBondContact N-O 3.13Å; M312-F351 VanDerWaalsContact O-CD1 3.27Å; M312-F351 WeakPolarHBondContact O-CD1 3.47Å; M312-F351 PolarHBondContact O-N 3.34Å; M312-F351 HydrophobicContact SD-CE2 4.04Å; M312-F351 HydrophobicContact SD-CZ 4.46Å; K314-F351 HydrophobicContact CB-CE1 3.65Å; K314-F351 HydrophobicContact CB-CZ 4.06Å; F317-F351 HydrophobicContact CD1-CB 4.25Å; F317-F351 AromaticContact CD1-CD1 3.41Å; F317-F351 HydrophobicContact CD1-CD1 3.41Å; F317-F351 VanDerWaalsContact CD1-CD1 3.41Å; F317-F351 AromaticContact CD1-CE1 3.83Å; F317-F351 HydrophobicContact CD1-CE1 3.83Å; F317-F351 AromaticContact CD1-CG 3.86Å; F317-F351 HydrophobicContact CD1-CG 3.86Å; F317-F351 HydrophobicContact CE1-CB 3.78Å; F317-F351 AromaticContact CE1-CD1 3.6Å; F317-F351 HydrophobicContact CE1-CD1 3.6Å; F317-F351 HydrophobicContact CE1-CD2 4.02Å; F317-F351 HydrophobicContact CE1-CE1 4.15Å; F317-F351 AromaticContact CE1-CG 3.53Å; F317-F351 HydrophobicContact CE1-CG 3.53Å; F317-F351 HydrophobicContact CG-CD1 4.17Å; F317-F351 HydrophobicContact CG-CE1 4.14Å; F317-F351 HydrophobicContact CZ-CD1 4.48Å; F317-F351 HydrophobicContact CZ-CD2 4.33Å; F317-F351 HydrophobicContact CZ-CG 4.28Å; M319-F351 HydrophobicContact CE-CB 4.08Å; M319-F351 HydrophobicContact SD-CB 3.5Å; M319-F351 WeakPolarHBondContact SD-CB 3.38Å; I325-F351 HydrophobicContact CD1-CD2 4.2Å; I325-F351 HydrophobicContact CD1-CE2 3.97Å; L342-F351 HydrophobicContact CD2-CB 4.18Å; L342-F351 HydrophobicContact CD2-CD2 3.95Å; L342-F351 HydrophobicContact CD2-CG 4.49Å; S344-F351 VanDerWaalsContact OG-CA 3.25Å; S344-F351 WeakPolarHBondContact OG-CA 3.41Å; F351-V387 HydrophobicContact CE2-CG1 4.35Å; F351-V387 HydrophobicContact CE2-CG2 4.23Å; F351-V387 HydrophobicContact CZ-CG2 4.31Å
352	S	93.6	Very high	90.2	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	153.9	-178.8	75.2	0	0	0	0	113.1	L310 L342 T343 S344	L310-S352 WeakPolarHBondContact O-CA 3.33Å; L310-S352 WeakPolarHBondContact O-CB 3.28Å; L342-S352 WeakPolarHBondContact CA-O 3.06Å; T343-S352 PolarHBondContact N-O 3.31Å; T343-S352 VanDerWaalsContact OG1-C 3.31Å; T343-S352 PolarHBondContact OG1-O 2.91Å; T343-S352 VanDerWaalsContact OG1-O 3.06Å; T343-S352 PolarHBondContact OG1-OG 2.91Å; S344-S352 PolarHBondContact N-OG 3.19Å; S344-S352 PolarHBondContact OG-N 2.81Å
353	I	93.5	Very high	90.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	143.9	173.6	59.5	-178.6	0	0	0	109.3	E309 L310 M312 I325 V327 F340 L342 I355	E309-I353 WeakPolarHBondContact CA-O 3.43Å; L310-I353 HydrophobicContact CB-CG1 4.01Å; L310-I353 HydrophobicContact CD1-CD1 4.45Å; L310-I353 PolarHBondContact N-O 3.22Å; L310-I353 PolarHBondContact O-N 2.98Å; L310-I353 VanDerWaalsContact O-N 3.14Å; M312-I353 HydrophobicContact CE-CD1 3.76Å; M312-I353 HydrophobicContact CE-CG1 3.86Å; I325-I353 HydrophobicContact CD1-CG2 3.8Å; I325-I353 HydrophobicContact CG1-CG2 4.02Å; V327-I353 HydrophobicContact CG2-CD1 3.71Å; F340-I353 HydrophobicContact CB-CB 4.03Å; F340-I353 HydrophobicContact CB-CD1 4.11Å; F340-I353 HydrophobicContact CB-CG2 3.96Å; F340-I353 HydrophobicContact CD2-CD1 4.11Å; F340-I353 HydrophobicContact CG-CD1 4.22Å; L342-I353 HydrophobicContact CD2-CG2 4.02Å; I353-I355 HydrophobicContact CD1-CD1 3.77Å; I353-I355 HydrophobicContact CD1-CG1 4.14Å; I353-I355 HydrophobicContact CG1-CD1 4.19Å; I353-I355 HydrophobicContact CG1-CG1 4.17Å
354	H	89.9	Confident	90	Very high	14 Å²	14	42.6 Å²	42.6	7%	0.065	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124	171.3	-71.4	60.5	0	0	0	109.4	H303 T307 I308 E309 T343 T414 W453	H303-H354 AromaticContact CD2-CD2 3.92Å; H303-H354 AromaticContact CD2-NE2 3.97Å; H303-H354 AromaticContact NE2-NE2 3.57Å; T307-H354 HydrophobicContact CG2-CB 4.25Å; I308-H354 CarbonylContact O-C 3.49Å; I308-H354 WeakPolarHBondContact O-CA 3.24Å; E309-H354 IonicContact OE1-CE1 3.99Å; E309-H354 IonicContact OE2-CE1 3.88Å; E309-H354 IonicContact OE2-NE2 2.85Å; T343-H354 VanDerWaalsContact CB-ND1 3.31Å; T343-H354 WeakPolarHBondContact CB-ND1 3.42Å; T343-H354 HydrophobicContact CG2-CB 4.02Å; T343-H354 VanDerWaalsContact CG2-ND1 3.34Å; T343-H354 WeakPolarHBondContact CG2-ND1 3.22Å; T343-H354 PolarHBondContact OG1-CE1 2.97Å; T343-H354 PolarHBondContact OG1-ND1 2.63Å; H354-T414 HydrophobicContact CB-CG2 4.04Å; H354-W453 AromaticContact CD2-CE3 3.59Å; H354-W453 AromaticContact CD2-CZ3 3.61Å; H354-W453 AromaticContact NE2-CE3 3.61Å; H354-W453 AromaticContact NE2-CZ3 3.63Å
355	I	89.8	Confident	89.9	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.005	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	117	-174.5	-54.9	177.7	0	0	0	108.4	T307 I308 L310 F340 I353 T362 L365	T307-I355 CarbonylContact C-O 3.58Å; T307-I355 VanDerWaalsContact CA-O 3.31Å; T307-I355 WeakPolarHBondContact CA-O 3.44Å; I308-I355 HydrophobicContact CG1-CB 3.88Å; I308-I355 PolarHBondContact N-O 3.24Å; I308-I355 PolarHBondContact O-N 3.48Å; L310-I355 HydrophobicContact CD1-CD1 3.83Å; L310-I355 HydrophobicContact CG-CD1 4.49Å; F340-I355 HydrophobicContact CD1-CG1 3.81Å; F340-I355 HydrophobicContact CD2-CD1 4.33Å; F340-I355 HydrophobicContact CD2-CG1 4.46Å; F340-I355 HydrophobicContact CE1-CB 4.12Å; F340-I355 HydrophobicContact CE1-CD1 4.28Å; F340-I355 HydrophobicContact CE1-CG1 3.75Å; F340-I355 HydrophobicContact CE1-CG2 3.68Å; F340-I355 HydrophobicContact CE2-CD1 4.07Å; F340-I355 HydrophobicContact CE2-CG1 4.38Å; F340-I355 HydrophobicContact CG-CG1 4.18Å; F340-I355 HydrophobicContact CZ-CD1 4.05Å; F340-I355 HydrophobicContact CZ-CG1 4.05Å; F340-I355 HydrophobicContact CZ-CG2 3.86Å; I353-I355 HydrophobicContact CD1-CD1 3.77Å; I353-I355 HydrophobicContact CD1-CG1 4.14Å; I353-I355 HydrophobicContact CG1-CD1 4.19Å; I353-I355 HydrophobicContact CG1-CG1 4.17Å; I355-T362 HydrophobicContact CG2-CG2 3.8Å; I355-L365 HydrophobicContact CD1-CD2 3.47Å; I355-L365 VanDerWaalsContact CD1-CD2 3.47Å
356	R	87.4	Confident	89.9	Confident	90 Å²	90	44.3 Å²	44.3	34%	0.34	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	132.2	169.1	-170.3	-176.4	174.9	-179.2	0.3	109.6	F305 V358 I411	F305-R356 VanDerWaalsContact CE1-NH2 3.33Å; R356-V358 HydrophobicContact CB-CG2 4.18Å; R356-V358 HydrophobicContact CG-CG2 3.67Å; R356-V358 PolarHBondContact O-N 3.14Å; R356-I411 HydrophobicContact CB-CD1 4.16Å; R356-I411 HydrophobicContact CB-CG1 4.14Å
357	I	87.9	Confident	89.8	Confident	27 Å²	27	46.1 Å²	46.1	14%	0.138	25%	0.245	C	C	.	.			trans	-83.3	107.1	179.4	-51	158.2	0	0	0	108.3	K306 E363 F366	K306-I357 HydrophobicContact CB-CB 4.17Å; K306-I357 HydrophobicContact CB-CD1 4.12Å; K306-I357 WeakPolarHBondContact O-CB 3.49Å; K306-I357 VanDerWaalsContact O-CG1 3.29Å; K306-I357 WeakPolarHBondContact O-CG1 3.43Å; K306-I357 PolarHBondContact O-N 3.42Å; I357-E363 HydrophobicContact CG2-CB 4.05Å; I357-F366 HydrophobicContact CD1-CB 4.01Å; I357-F366 HydrophobicContact CD1-CD1 4.23Å; I357-F366 HydrophobicContact CD1-CD2 3.18Å; I357-F366 HydrophobicContact CD1-CE1 4.49Å; I357-F366 HydrophobicContact CD1-CE2 3.53Å; I357-F366 HydrophobicContact CD1-CG 3.56Å; I357-F366 HydrophobicContact CD1-CZ 4.2Å; I357-F366 HydrophobicContact CG1-CB 4.32Å; I357-F366 HydrophobicContact CG1-CD2 4.13Å; I357-F366 HydrophobicContact CG1-CG 4.39Å
358	V	83.7	Confident	89.7	Confident	114 Å²	114	43.4 Å²	43.4	69%	0.691	23%	0.234	S	C	*	.			trans	-134.3	-27.7	-176	-172.7	0	0	0	0	112.4	R356 T362	R356-V358 HydrophobicContact CB-CG2 4.18Å; R356-V358 HydrophobicContact CG-CG2 3.67Å; R356-V358 PolarHBondContact O-N 3.14Å; V358-T362 PolarHBondContact N-OG1 3.43Å
359	G	84.4	Confident	89.5	Confident	31 Å²	31	42.3 Å²	42.3	32%	0.32	23%	0.23	S	C	.	.	S	Bend	trans	-129.1	175.1	-178.3	0	0	0	0	0	113.7	W361 T362 E363	G359-W361 PolarHBondContact O-N 3.05Å; G359-T362 PolarHBondContact N-OG1 2.86Å; G359-T362 PolarHBondContact O-N 3.4Å; G359-T362 VanDerWaalsContact O-N 3.16Å; G359-T362 PolarHBondContact O-OG1 2.92Å; G359-E363 WeakPolarHBondContact O-CB 3.45Å; G359-E363 PolarHBondContact O-N 3.31Å
360	D	86.9	Confident	89.1	Confident	133 Å²	133	36 Å²	36	71%	0.711	20%	0.198	S	C	*	.	H	α-helix	trans	-52.3	-47	-179.5	59.4	-19.4	0	0	0	113.4	E363 G364	D360-E363 PolarHBondContact O-N 2.95Å; D360-G364 PolarHBondContact O-N 3Å
361	W	90.1	Very high	88.3	Confident	5 Å²	5	35 Å²	35	2%	0.019	20%	0.197	C	C	.	.	H	α-helix	trans	-67	-41.9	179.1	-173.4	95.2	0	0	0	112.1	V327 C329 V332 H338 F340 G359 E363 G364 L365	V327-W361 HydrophobicContact CB-CH2 4.44Å; V327-W361 HydrophobicContact CG1-CH2 4.13Å; C329-W361 HydrophobicContact CB-CZ2 4.16Å; V332-W361 HydrophobicContact CG1-CG 4.12Å; H338-W361 HydrophobicContact CB-CD2 4.49Å; H338-W361 HydrophobicContact CB-CE3 4.19Å; H338-W361 HydrophobicContact CB-CH2 4.16Å; H338-W361 HydrophobicContact CB-CZ2 4.45Å; H338-W361 HydrophobicContact CB-CZ3 4.04Å; H338-W361 AromaticContact CD2-CD1 3.56Å; H338-W361 AromaticContact CD2-CD2 3.21Å; H338-W361 AromaticContact CD2-CE2 3.27Å; H338-W361 AromaticContact CD2-CE3 3.75Å; H338-W361 AromaticContact CD2-CG 3.42Å; H338-W361 VanDerWaalsContact CD2-CG 3.42Å; H338-W361 AromaticContact CD2-CZ2 3.83Å; H338-W361 AromaticContact CD2-NE1 3.45Å; H338-W361 PolarHBondContact CD2-NE1 3.28Å; H338-W361 AromaticContact CE1-CG 3.86Å; H338-W361 AromaticContact CG-CD2 3.8Å; H338-W361 AromaticContact CG-CE3 3.85Å; H338-W361 AromaticContact NE2-CD1 3.29Å; H338-W361 VanDerWaalsContact NE2-CD1 3.29Å; H338-W361 AromaticContact NE2-CD2 3.5Å; H338-W361 AromaticContact NE2-CE2 3.86Å; H338-W361 AromaticContact NE2-CG 3.13Å; H338-W361 AromaticContact NE2-NE1 3.7Å; F340-W361 AromaticContact CE2-CH2 3.87Å; F340-W361 HydrophobicContact CE2-CH2 3.87Å; F340-W361 AromaticContact CE2-CZ3 3.58Å; F340-W361 HydrophobicContact CE2-CZ3 3.58Å; F340-W361 HydrophobicContact CZ-CE3 4.41Å; F340-W361 HydrophobicContact CZ-CH2 4.42Å; F340-W361 AromaticContact CZ-CZ3 3.66Å; F340-W361 HydrophobicContact CZ-CZ3 3.66Å; G359-W361 PolarHBondContact O-N 3.05Å; W361-E363 VanDerWaalsContact C-N 3.34Å; W361-G364 PolarHBondContact O-N 3.1Å; W361-L365 HydrophobicContact CH2-CD2 3.71Å; W361-L365 HydrophobicContact CZ3-CB 4.35Å; W361-L365 HydrophobicContact CZ3-CD2 3.63Å; W361-L365 WeakPolarHBondContact O-CB 3.42Å; W361-L365 PolarHBondContact O-N 2.91Å
362	T	90.9	Very high	87.1	Confident	17 Å²	17	39.7 Å²	39.7	10%	0.104	22%	0.222	C	C	.	.	H	α-helix	trans	-68.7	-34.6	179.9	53.4	0	0	0	0	112.2	I355 V358 G359 L365 F366	I355-T362 HydrophobicContact CG2-CG2 3.8Å; V358-T362 PolarHBondContact N-OG1 3.43Å; G359-T362 PolarHBondContact N-OG1 2.86Å; G359-T362 PolarHBondContact O-N 3.4Å; G359-T362 VanDerWaalsContact O-N 3.16Å; G359-T362 PolarHBondContact O-OG1 2.92Å; T362-L365 PolarHBondContact O-N 3.19Å; T362-F366 PolarHBondContact O-N 3.33Å
363	E	90.1	Very high	86	Confident	111 Å²	111	46 Å²	46	52%	0.519	25%	0.25	S	C	.	.	H	α-helix	trans	-70.6	-44	173.7	-174.5	170.5	-156.2	0	0	110.9	I357 G359 D360 W361 L365 F366 N367	I357-E363 HydrophobicContact CG2-CB 4.05Å; G359-E363 WeakPolarHBondContact O-CB 3.45Å; G359-E363 PolarHBondContact O-N 3.31Å; D360-E363 PolarHBondContact O-N 2.95Å; W361-E363 VanDerWaalsContact C-N 3.34Å; E363-L365 VanDerWaalsContact C-N 3.25Å; E363-L365 PolarHBondContact O-N 3.07Å; E363-F366 WeakPolarHBondContact O-CB 3.44Å; E363-F366 PolarHBondContact O-N 3.09Å; E363-F366 VanDerWaalsContact O-N 3.13Å; E363-N367 VanDerWaalsContact O-CG 3.24Å; E363-N367 PolarHBondContact O-N 3.47Å; E363-N367 PolarHBondContact O-OD1 3.35Å
364	G	89.6	Confident	84.4	Confident	22 Å²	22	56.1 Å²	56.1	23%	0.227	30%	0.297	C	S	.	.	H	α-helix	trans	-57	-39.3	172.2	0	0	0	0	0	112.6	V332 D360 W361 A368	V332-G364 VanDerWaalsContact CG2-C 3.43Å; V332-G364 WeakPolarHBondContact CG2-O 3.09Å; D360-G364 PolarHBondContact O-N 3Å; W361-G364 PolarHBondContact O-N 3.1Å; G364-A368 WeakPolarHBondContact O-CB 3.44Å; G364-A368 PolarHBondContact O-N 3.21Å
365	L	91	Very high	83.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-67.6	-42.3	175.8	-176.8	64.9	0	0	0	112.1	L310 C329 V332 I355 W361 T362 E363 N367 A368 C369	L310-L365 HydrophobicContact CD1-CD2 4.01Å; C329-L365 HydrophobicContact CB-CD1 3.89Å; V332-L365 HydrophobicContact CG2-CB 4.45Å; I355-L365 HydrophobicContact CD1-CD2 3.47Å; I355-L365 VanDerWaalsContact CD1-CD2 3.47Å; W361-L365 HydrophobicContact CH2-CD2 3.71Å; W361-L365 HydrophobicContact CZ3-CB 4.35Å; W361-L365 HydrophobicContact CZ3-CD2 3.63Å; W361-L365 WeakPolarHBondContact O-CB 3.42Å; W361-L365 PolarHBondContact O-N 2.91Å; T362-L365 PolarHBondContact O-N 3.19Å; E363-L365 VanDerWaalsContact C-N 3.25Å; E363-L365 PolarHBondContact O-N 3.07Å; L365-N367 PolarHBondContact O-N 3.46Å; L365-A368 PolarHBondContact O-N 3.07Å; L365-C369 WeakPolarHBondContact O-CB 3.45Å; L365-C369 PolarHBondContact O-N 3.44Å; L365-C369 PolarHBondContact O-SG 2.95Å; L365-C369 VanDerWaalsContact O-SG 3.38Å
366	F	90.1	Very high	81.8	Confident	35 Å²	35	71.9 Å²	71.9	15%	0.154	37%	0.368	C	S	.	.	H	α-helix	trans	-55.7	-51.1	175.9	-174.9	-104.4	0	0	0	111.4	T302 I308 I357 T362 E363 A368 C369 G370 C371 D372	T302-F366 HydrophobicContact CG2-CE2 4.28Å; I308-F366 HydrophobicContact CG2-CD2 3.39Å; I308-F366 HydrophobicContact CG2-CE2 3.5Å; I357-F366 HydrophobicContact CD1-CB 4.01Å; I357-F366 HydrophobicContact CD1-CD1 4.23Å; I357-F366 HydrophobicContact CD1-CD2 3.18Å; I357-F366 HydrophobicContact CD1-CE1 4.49Å; I357-F366 HydrophobicContact CD1-CE2 3.53Å; I357-F366 HydrophobicContact CD1-CG 3.56Å; I357-F366 HydrophobicContact CD1-CZ 4.2Å; I357-F366 HydrophobicContact CG1-CB 4.32Å; I357-F366 HydrophobicContact CG1-CD2 4.13Å; I357-F366 HydrophobicContact CG1-CG 4.39Å; T362-F366 PolarHBondContact O-N 3.33Å; E363-F366 WeakPolarHBondContact O-CB 3.44Å; E363-F366 PolarHBondContact O-N 3.09Å; E363-F366 VanDerWaalsContact O-N 3.13Å; F366-A368 VanDerWaalsContact C-N 3.34Å; F366-A368 PolarHBondContact O-N 2.66Å; F366-C369 PolarHBondContact O-N 3.5Å; F366-G370 PolarHBondContact O-N 3.4Å; F366-C371 HydrophobicContact CD1-CB 4.11Å; F366-C371 HydrophobicContact CD2-CB 3.49Å; F366-C371 VanDerWaalsContact CD2-CB 3.49Å; F366-C371 HydrophobicContact CE1-CB 3.84Å; F366-C371 HydrophobicContact CE2-CB 3.19Å; F366-C371 HydrophobicContact CG-CB 3.95Å; F366-C371 HydrophobicContact CZ-CB 3.38Å; F366-C371 PolarHBondContact O-N 2.95Å; F366-D372 WeakPolarHBondContact CE1-OD1 3.38Å
367	N	88.9	Confident	80.8	Confident	78 Å²	78	70 Å²	70	42%	0.417	36%	0.363	S	S	.	.	H	α-helix	trans	-67.1	-38.2	179.8	-56.8	0.7	0	0	0	110.6	E363 L365 C369 G370 D372	E363-N367 VanDerWaalsContact O-CG 3.24Å; E363-N367 PolarHBondContact O-N 3.47Å; E363-N367 PolarHBondContact O-OD1 3.35Å; L365-N367 PolarHBondContact O-N 3.46Å; N367-C369 VanDerWaalsContact C-N 3.32Å; N367-C369 PolarHBondContact O-N 2.96Å; N367-G370 PolarHBondContact O-N 3.03Å; N367-D372 PolarHBondContact OD1-OD2 3.04Å
368	A	87.6	Confident	80	Confident	11 Å²	11	71.1 Å²	71.1	9%	0.091	37%	0.369	C	S	.	.	H	α-helix	trans	-64.7	-34.6	179.4	0	0	0	0	0	113.3	K331 V332 G364 L365 F366 P383	K331-A368 HydrophobicContact CD-CB 3.99Å; K331-A368 HydrophobicContact CG-CB 4.41Å; K331-A368 PolarHBondContact NZ-O 3.22Å; K331-A368 VanDerWaalsContact NZ-O 3.15Å; V332-A368 HydrophobicContact CG2-CB 4.12Å; G364-A368 WeakPolarHBondContact O-CB 3.44Å; G364-A368 PolarHBondContact O-N 3.21Å; L365-A368 PolarHBondContact O-N 3.07Å; F366-A368 VanDerWaalsContact C-N 3.34Å; F366-A368 PolarHBondContact O-N 2.66Å; A368-P383 HydrophobicContact CB-CG 4.34Å
369	C	86.3	Confident	79.2	Confident	5 Å²	5	69 Å²	69	3%	0.034	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-9.1	173.4	-70.9	0	0	0	0	113.1	V300 L365 F366 N367	V300-C369 HydrophobicContact CG1-CB 4.46Å; L365-C369 WeakPolarHBondContact O-CB 3.45Å; L365-C369 PolarHBondContact O-N 3.44Å; L365-C369 PolarHBondContact O-SG 2.95Å; L365-C369 VanDerWaalsContact O-SG 3.38Å; F366-C369 PolarHBondContact O-N 3.5Å; N367-C369 VanDerWaalsContact C-N 3.32Å; N367-C369 PolarHBondContact O-N 2.96Å
370	G	82.4	Confident	78.5	Confident	10 Å²	10	77 Å²	77	10%	0.103	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	21	178.3	0	0	0	0	0	113.9	F366 N367 D372 K373	F366-G370 PolarHBondContact O-N 3.4Å; N367-G370 PolarHBondContact O-N 3.03Å; G370-D372 PolarHBondContact O-N 3.36Å; G370-K373 WeakPolarHBondContact O-CB 3.27Å; G370-K373 PolarHBondContact O-N 2.63Å
371	C	76	Confident	78.1	Confident	26 Å²	26	75.8 Å²	75.8	18%	0.176	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-17.2	-177.1	-61.1	0	0	0	0	114	T302 F366	T302-C371 HydrophobicContact CG2-CB 3.82Å; F366-C371 HydrophobicContact CD1-CB 4.11Å; F366-C371 HydrophobicContact CD2-CB 3.49Å; F366-C371 VanDerWaalsContact CD2-CB 3.49Å; F366-C371 HydrophobicContact CE1-CB 3.84Å; F366-C371 HydrophobicContact CE2-CB 3.19Å; F366-C371 HydrophobicContact CG-CB 3.95Å; F366-C371 HydrophobicContact CZ-CB 3.38Å; F366-C371 PolarHBondContact O-N 2.95Å
372	D	69.9	Low	77.9	Confident	104 Å²	104	76.9 Å²	76.9	56%	0.556	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-17.8	171.3	-64.9	-56	0	0	0	113.4	F366 N367 G370	F366-D372 WeakPolarHBondContact CE1-OD1 3.38Å; N367-D372 PolarHBondContact OD1-OD2 3.04Å; G370-D372 PolarHBondContact O-N 3.36Å
373	K	69.1	Low	77.8	Confident	133 Å²	133	76.6 Å²	76.6	58%	0.578	38%	0.377	S	S	*	.	S	Bend	trans	-97.9	128.6	-174.7	-59.2	-177.1	179.5	-174.6	0	108.5	G370 E375	G370-K373 WeakPolarHBondContact O-CB 3.27Å; G370-K373 PolarHBondContact O-N 2.63Å; K373-E375 PolarHBondContact O-N 3.42Å; K373-E375 VanDerWaalsContact O-N 3.12Å
374	Q	60.2	Low	77.8	Confident	212 Å²	212	80 Å²	80	99%	0.991	39%	0.39	S	S	*	.	S	Bend	trans	-68.2	-4.3	175.6	-76.1	179.2	-17.5	0	0	113.7
375	E	62.3	Low	77.9	Confident	150 Å²	150	79.4 Å²	79.4	70%	0.701	38%	0.382	S	S	*	.	S	Bend	trans	-90	138	-179.2	-68.4	-179.4	172.2	0	0	112.5	K373 Q377	K373-E375 PolarHBondContact O-N 3.42Å; K373-E375 VanDerWaalsContact O-N 3.12Å; E375-Q377 PolarHBondContact O-N 2.9Å
376	F	63.2	Low	78	Confident	195 Å²	195	79.9 Å²	79.9	86%	0.855	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-61.2	119.5	171.9	-166.9	-91.8	0	0	0	110.3
377	Q	66.9	Low	78.1	Confident	50 Å²	50	78.3 Å²	78.3	23%	0.234	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-86.2	127.9	176.6	-69	-83.4	-43.4	0	0	110	E375 L382	E375-Q377 PolarHBondContact O-N 2.9Å; Q377-L382 HydrophobicContact CB-CD2 4.43Å
378	D	69.9	Low	78.2	Confident	52 Å²	52	74.9 Å²	74.9	28%	0.278	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-58.8	144	170.6	-56.8	-63.2	0	0	0	111.3	W380 K381	D378-W380 HydrophobicContact CB-CD2 3.65Å; D378-W380 HydrophobicContact CB-CE3 3.91Å; D378-W380 HydrophobicContact CB-CG 4.33Å; D378-W380 HydrophobicContact CB-CH2 3.64Å; D378-W380 HydrophobicContact CB-CZ2 3.37Å; D378-W380 HydrophobicContact CB-CZ3 3.91Å; D378-W380 PolarHBondContact O-N 2.97Å; D378-W380 WeakPolarHBondContact OD2-CZ2 3.38Å; D378-K381 HydrophobicContact CB-CD 4.3Å; D378-K381 HydrophobicContact CB-CG 4.47Å; D378-K381 WeakPolarHBondContact O-CB 3.25Å; D378-K381 PolarHBondContact O-N 3.13Å; D378-K381 WeakPolarHBondContact OD2-CE 3.33Å; D378-K381 IonicContact OD2-NZ 3.74Å; D378-K381 PolarHBondContact OD2-NZ 3.16Å
379	A	67.6	Low	78.2	Confident	68 Å²	68	74.6 Å²	74.6	56%	0.562	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.5	-175.7	0	0	0	0	0	114.3
380	W	68.8	Low	78.4	Confident	199 Å²	199	75.7 Å²	75.7	75%	0.754	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-16.1	176.8	61.3	78.5	0	0	0	114.4	D378	D378-W380 HydrophobicContact CB-CD2 3.65Å; D378-W380 HydrophobicContact CB-CE3 3.91Å; D378-W380 HydrophobicContact CB-CG 4.33Å; D378-W380 HydrophobicContact CB-CH2 3.64Å; D378-W380 HydrophobicContact CB-CZ2 3.37Å; D378-W380 HydrophobicContact CB-CZ3 3.91Å; D378-W380 PolarHBondContact O-N 2.97Å; D378-W380 WeakPolarHBondContact OD2-CZ2 3.38Å
381	K	79.1	Confident	78.5	Confident	108 Å²	108	75.3 Å²	75.3	47%	0.47	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-19	175.4	-68.2	172.3	177.9	154	0	112.2	D378	D378-K381 HydrophobicContact CB-CD 4.3Å; D378-K381 HydrophobicContact CB-CG 4.47Å; D378-K381 WeakPolarHBondContact O-CB 3.25Å; D378-K381 PolarHBondContact O-N 3.13Å; D378-K381 WeakPolarHBondContact OD2-CE 3.33Å; D378-K381 IonicContact OD2-NZ 3.74Å; D378-K381 PolarHBondContact OD2-NZ 3.16Å
382	L	85.3	Confident	78.7	Confident	29 Å²	29	74.9 Å²	74.9	15%	0.152	36%	0.361	C	S	.	.	S	Bend	trans	-63.9	147.1	178	-66.5	176	0	0	0	111.7	I297 V300 Q377	I297-L382 HydrophobicContact CB-CD1 3.94Å; I297-L382 HydrophobicContact CD1-CB 4.22Å; I297-L382 HydrophobicContact CG2-CD1 3.83Å; V300-L382 HydrophobicContact CG2-CD1 4.39Å; V300-L382 HydrophobicContact CG2-CD2 4.13Å; Q377-L382 HydrophobicContact CB-CD2 4.43Å
383	P	89.2	Confident	79.1	Confident	11 Å²	11	70.2 Å²	70.2	7%	0.071	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-65.9	147.6	-178.5	26.8	-33.3	0	0	0	111.6	I297 K331 A368 I385	I297-P383 HydrophobicContact CD1-CG 4.42Å; I297-P383 WeakPolarHBondContact CD1-O 3.47Å; K331-P383 HydrophobicContact CB-CB 4.34Å; K331-P383 HydrophobicContact CD-CB 4.13Å; A368-P383 HydrophobicContact CB-CG 4.34Å; P383-I385 PolarHBondContact O-N 3.42Å
384	K	90.2	Very high	79.4	Confident	183 Å²	183	64.2 Å²	64.2	80%	0.796	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-68.7	131.1	168.5	-67.4	-178.5	-178.9	176.1	0	109.1	P330	P330-K384 WeakPolarHBondContact CD-O 3.34Å
385	I	92.2	Very high	80.5	Confident	9 Å²	9	54.1 Å²	54.1	5%	0.046	26%	0.264	C	S	.	.			trans	-115.3	137.2	175.8	-66.2	-178.2	0	0	0	109.3	V295 I297 L310 M312 V327 P383 V387	V295-I385 WeakPolarHBondContact CB-O 3.48Å; I297-I385 HydrophobicContact CD1-CD1 3.43Å; I297-I385 VanDerWaalsContact CD1-CD1 3.43Å; I297-I385 HydrophobicContact CD1-CG1 3.92Å; I297-I385 HydrophobicContact CG1-CD1 3.93Å; I297-I385 HydrophobicContact CG1-CG1 4.45Å; L310-I385 HydrophobicContact CD1-CD1 4.09Å; M312-I385 HydrophobicContact SD-CD1 4.23Å; M312-I385 HydrophobicContact SD-CG2 4.19Å; V327-I385 HydrophobicContact CG1-CG2 3.6Å; P383-I385 PolarHBondContact O-N 3.42Å; I385-V387 HydrophobicContact CG2-CG2 3.96Å
386	A	93.3	Very high	81.4	Confident	10 Å²	10	48.9 Å²	48.9	8%	0.083	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.3	167.2	0	0	0	0	0	109.5	K328 W337	K328-A386 HydrophobicContact CB-CB 4.33Å; K328-A386 PolarHBondContact N-O 2.67Å; K328-A386 PolarHBondContact O-N 3.32Å; W337-A386 HydrophobicContact CH2-CB 3.75Å; W337-A386 HydrophobicContact CZ3-CB 4.2Å; W337-A386 WeakPolarHBondContact CZ3-O 3.21Å
387	V	92.6	Very high	82.3	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	124	-177.6	174.5	0	0	0	0	110.2	V295 M312 K314 F317 I325 F326 F351 I385	V295-V387 HydrophobicContact CG1-CG2 4.12Å; V295-V387 HydrophobicContact CG2-CB 4.01Å; V295-V387 HydrophobicContact CG2-CG2 3.9Å; M312-V387 HydrophobicContact SD-CG2 4.28Å; K314-V387 PolarHBondContact NZ-O 2.96Å; F317-V387 HydrophobicContact CE2-CG1 4.33Å; I325-V387 HydrophobicContact CB-CG1 4Å; I325-V387 HydrophobicContact CD1-CG1 3.8Å; I325-V387 HydrophobicContact CD1-CG2 4.34Å; I325-V387 HydrophobicContact CG1-CG1 4.5Å; I325-V387 HydrophobicContact CG2-CG1 4.02Å; F326-V387 WeakPolarHBondContact O-CA 3.42Å; F351-V387 HydrophobicContact CE2-CG1 4.35Å; F351-V387 HydrophobicContact CE2-CG2 4.23Å; F351-V387 HydrophobicContact CZ-CG2 4.31Å; I385-V387 HydrophobicContact CG2-CG2 3.96Å
388	D	90.6	Very high	83.3	Confident	7 Å²	7	37.5 Å²	37.5	4%	0.037	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	131.2	171	-176	33.3	0	0	0	110	R287 R290 I325 F326 W337 F391	R287-D388 WeakPolarHBondContact CD-OD2 3.37Å; R287-D388 IonicContact CZ-OD2 2.73Å; R287-D388 IonicContact NE-OD2 2.74Å; R287-D388 IonicContact NH1-OD2 3.69Å; R287-D388 PolarHBondContact NH1-OD2 2.63Å; R290-D388 IonicContact CZ-OD1 2.77Å; R290-D388 IonicContact NE-OD1 3.75Å; R290-D388 PolarHBondContact NE-OD1 3.41Å; R290-D388 IonicContact NH2-OD1 3.52Å; R290-D388 PolarHBondContact NH2-OD1 2.96Å; I325-D388 WeakPolarHBondContact CA-O 3.35Å; F326-D388 HydrophobicContact CB-CB 4.25Å; F326-D388 PolarHBondContact N-O 3.08Å; F326-D388 PolarHBondContact O-N 3.28Å; W337-D388 HydrophobicContact CE3-CB 4.38Å; W337-D388 HydrophobicContact CH2-CB 4.32Å; W337-D388 HydrophobicContact CZ3-CB 3.89Å; D388-F391 WeakPolarHBondContact O-CE2 3.42Å; D388-F391 WeakPolarHBondContact OD2-CZ 3.34Å
389	G	88	Confident	84	Confident	4 Å²	4	36.8 Å²	36.8	4%	0.041	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	128.1	-168.5	-172	0	0	0	0	0	113.2
390	P	89.2	Confident	84.9	Confident	29 Å²	29	35.1 Å²	35.1	19%	0.188	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-77.2	158.2	7.8	34.6	-36.7	0	0	0	113.4	F317 K318 Q323 I325 L342	F317-P390 HydrophobicContact CE2-CB 4.45Å; F317-P390 HydrophobicContact CE2-CG 4.38Å; F317-P390 HydrophobicContact CZ-CB 4.18Å; F317-P390 HydrophobicContact CZ-CG 4.36Å; K318-P390 VanDerWaalsContact O-CG 3.26Å; K318-P390 WeakPolarHBondContact O-CG 3.23Å; Q323-P390 HydrophobicContact CB-CB 4.1Å; Q323-P390 VanDerWaalsContact OE1-CG 3.23Å; I325-P390 HydrophobicContact CG2-CB 4.37Å; L342-P390 HydrophobicContact CD1-CB 4.22Å
391	F	85.9	Confident	85.8	Confident	2 Å²	2	26.4 Å²	26.4	1%	0.009	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.6	176.2	-63.7	-68.5	0	0	0	110.5	R73 N74 Q323 Y324 F326 D388	R73-F391 HydrophobicContact CB-CD1 3.63Å; R73-F391 HydrophobicContact CB-CE1 3.55Å; R73-F391 HydrophobicContact CB-CZ 4.47Å; N74-F391 WeakPolarHBondContact OD1-CE1 3.5Å; Q323-F391 WeakPolarHBondContact CA-O 3.48Å; Q323-F391 WeakPolarHBondContact CB-O 3.32Å; Y324-F391 HydrophobicContact CD1-CB 4.02Å; Y324-F391 WeakPolarHBondContact CD1-O 3.29Å; Y324-F391 HydrophobicContact CE1-CB 3.53Å; Y324-F391 HydrophobicContact CE2-CB 4.16Å; Y324-F391 HydrophobicContact CE2-CD2 4.21Å; Y324-F391 PolarHBondContact N-O 3.48Å; Y324-F391 PolarHBondContact O-N 2.97Å; F326-F391 AromaticContact CD2-CD2 3.81Å; F326-F391 HydrophobicContact CD2-CD2 3.81Å; F326-F391 AromaticContact CD2-CE2 3.55Å; F326-F391 HydrophobicContact CD2-CE2 3.55Å; F326-F391 HydrophobicContact CE2-CD2 4.08Å; F326-F391 HydrophobicContact CE2-CE2 4.08Å; D388-F391 WeakPolarHBondContact O-CE2 3.42Å; D388-F391 WeakPolarHBondContact OD2-CZ 3.34Å
392	G	78.8	Confident	86.4	Confident	16 Å²	16	24.1 Å²	24.1	17%	0.165	13%	0.126	C	C	.	.			trans	-74.6	150.8	-174.7	0	0	0	0	0	115	E396	G392-E396 WeakPolarHBondContact CA-OE1 3.49Å
393	T	78	Confident	86.7	Confident	7 Å²	7	23 Å²	23	4%	0.043	12%	0.12	C	C	.	.			trans	-136.4	164.3	-175	58.2	0	0	0	0	111	R80 G322 Y324 S395 E396 E568 F570	R80-T393 PolarHBondContact NH2-O 3.01Å; G322-T393 VanDerWaalsContact O-CG2 3.3Å; G322-T393 WeakPolarHBondContact O-CG2 3.41Å; G322-T393 PolarHBondContact O-OG1 3.03Å; Y324-T393 HydrophobicContact CD1-CG2 3.46Å; Y324-T393 VanDerWaalsContact CD1-CG2 3.46Å; Y324-T393 HydrophobicContact CE1-CG2 3.89Å; T393-S395 PolarHBondContact O-N 3.34Å; T393-E396 PolarHBondContact N-OE1 3.31Å; T393-E396 WeakPolarHBondContact O-CG 3.43Å; T393-E396 PolarHBondContact O-N 3.42Å; T393-E568 VanDerWaalsContact CB-OE2 3.24Å; T393-E568 WeakPolarHBondContact CB-OE2 3.38Å; T393-F570 HydrophobicContact CG2-CE1 3.81Å
394	A	77.3	Confident	87	Confident	6 Å²	6	22.4 Å²	22.4	5%	0.05	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-59.4	-33.9	177.3	0	0	0	0	0	112	E396 D397 F535 N566	A394-E396 PolarHBondContact O-N 2.91Å; A394-E396 VanDerWaalsContact O-N 3.08Å; A394-D397 PolarHBondContact O-N 2.92Å; A394-F535 WeakPolarHBondContact O-CE1 3.42Å; A394-N566 HydrophobicContact CB-CB 3.99Å
395	S	81.4	Confident	87.2	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-55	-21.6	177.2	-76.9	0	0	0	0	115.4	T393 D397 V398 E568	T393-S395 PolarHBondContact O-N 3.34Å; S395-D397 PolarHBondContact O-N 2.95Å; S395-V398 WeakPolarHBondContact O-CB 3.48Å; S395-V398 WeakPolarHBondContact O-CG2 3.34Å; S395-V398 PolarHBondContact O-N 2.91Å; S395-E568 WeakPolarHBondContact CA-OE1 3.37Å; S395-E568 WeakPolarHBondContact CB-OE1 3.37Å; S395-E568 PolarHBondContact N-OE1 3.34Å; S395-E568 VanDerWaalsContact OG-CD 3.24Å; S395-E568 PolarHBondContact OG-OE1 3.29Å
396	E	81.6	Confident	87.3	Confident	41 Å²	41	13.3 Å²	13.3	19%	0.192	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-61.3	-29.3	173.2	-65.4	175.4	-174.9	0	0	112.5	R80 E320 Q323 G392 T393 A394 V398	R80-E396 IonicContact CZ-OE2 2.62Å; R80-E396 IonicContact NE-OE1 3.28Å; R80-E396 IonicContact NE-OE2 3.6Å; R80-E396 PolarHBondContact NE-OE2 3.21Å; R80-E396 IonicContact NH2-OE2 3.38Å; E320-E396 HydrophobicContact CB-CG 4.32Å; Q323-E396 HydrophobicContact CG-CG 4.12Å; Q323-E396 VanDerWaalsContact CG-OE1 3.23Å; Q323-E396 WeakPolarHBondContact CG-OE1 3.24Å; Q323-E396 PolarHBondContact NE2-OE1 2.99Å; G392-E396 WeakPolarHBondContact CA-OE1 3.49Å; T393-E396 PolarHBondContact N-OE1 3.31Å; T393-E396 WeakPolarHBondContact O-CG 3.43Å; T393-E396 PolarHBondContact O-N 3.42Å; A394-E396 PolarHBondContact O-N 2.91Å; A394-E396 VanDerWaalsContact O-N 3.08Å; E396-V398 PolarHBondContact O-N 3.39Å
397	D	83.1	Confident	87.4	Confident	5 Å²	5	12.8 Å²	12.8	3%	0.027	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-81.4	1.6	-176.9	-65.7	-49.3	0	0	0	112.6	R80 R91 A394 S395 F399 S400 Y401	R80-D397 IonicContact CZ-OD2 2.63Å; R80-D397 IonicContact NH2-OD1 3.5Å; R80-D397 IonicContact NH2-OD2 3.64Å; R80-D397 PolarHBondContact NH2-OD2 3.15Å; R91-D397 WeakPolarHBondContact CD-OD1 3.35Å; R91-D397 IonicContact CZ-OD1 3.74Å; R91-D397 IonicContact NE-OD1 3.44Å; R91-D397 IonicContact NH1-OD1 2.66Å; R91-D397 PolarHBondContact NH1-OD1 3.11Å; A394-D397 PolarHBondContact O-N 2.92Å; S395-D397 PolarHBondContact O-N 2.95Å; D397-F399 VanDerWaalsContact C-N 3.29Å; D397-F399 PolarHBondContact O-N 3.12Å; D397-S400 VanDerWaalsContact O-CB 3.26Å; D397-S400 WeakPolarHBondContact O-CB 3.42Å; D397-S400 PolarHBondContact O-N 3.1Å; D397-S400 PolarHBondContact O-OG 3.47Å; D397-Y401 HydrophobicContact CB-CE2 4.35Å; D397-Y401 WeakPolarHBondContact O-CD2 3.48Å; D397-Y401 WeakPolarHBondContact O-CE2 3.22Å
398	V	86.6	Confident	87.3	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-54.1	-43.4	-179.1	164.9	0	0	0	0	112.1	S395 E396 S400 Y401 V404 L406 I419 L436 F535	S395-V398 WeakPolarHBondContact O-CB 3.48Å; S395-V398 WeakPolarHBondContact O-CG2 3.34Å; S395-V398 PolarHBondContact O-N 2.91Å; E396-V398 PolarHBondContact O-N 3.39Å; V398-S400 PolarHBondContact O-N 2.89Å; V398-S400 VanDerWaalsContact O-N 3.15Å; V398-Y401 PolarHBondContact O-N 2.91Å; V398-V404 HydrophobicContact CG1-CG1 4.24Å; V398-V404 HydrophobicContact CG1-CG2 4.32Å; V398-L406 HydrophobicContact CG2-CD2 4.19Å; V398-I419 HydrophobicContact CG1-CG2 3.83Å; V398-I419 HydrophobicContact CG2-CD1 3.85Å; V398-L436 HydrophobicContact CG1-CD2 4.33Å; V398-F535 HydrophobicContact CB-CE2 4.4Å; V398-F535 HydrophobicContact CB-CZ 4.39Å; V398-F535 HydrophobicContact CG2-CD1 4.05Å; V398-F535 HydrophobicContact CG2-CD2 3.82Å; V398-F535 HydrophobicContact CG2-CE1 3.88Å; V398-F535 HydrophobicContact CG2-CE2 3.62Å; V398-F535 HydrophobicContact CG2-CG 4.02Å; V398-F535 HydrophobicContact CG2-CZ 3.65Å
399	F	86.3	Confident	87.2	Confident	38 Å²	38	13.4 Å²	13.4	17%	0.167	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-70.7	-6.9	179.2	-63.4	-69.2	0	0	0	114.1	V321 D397 V423 K426 L434 L436	V321-F399 HydrophobicContact CB-CE2 4.33Å; V321-F399 HydrophobicContact CG1-CE2 3.89Å; V321-F399 HydrophobicContact CG1-CZ 4.39Å; V321-F399 HydrophobicContact CG2-CD2 4.02Å; V321-F399 HydrophobicContact CG2-CE2 3.54Å; D397-F399 VanDerWaalsContact C-N 3.29Å; D397-F399 PolarHBondContact O-N 3.12Å; F399-V423 HydrophobicContact CE1-CG2 3.59Å; F399-V423 HydrophobicContact CZ-CG2 4.02Å; F399-K426 HydrophobicContact CE1-CD 4.1Å; F399-K426 HydrophobicContact CZ-CD 4.14Å; F399-L434 HydrophobicContact CD1-CD2 4.48Å; F399-L436 HydrophobicContact CD1-CD2 4.26Å; F399-L436 HydrophobicContact CE1-CD2 4.48Å
400	S	85.7	Confident	87.1	Confident	32 Å²	32	14.4 Å²	14.4	22%	0.224	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-84.1	-10.7	177.1	77.7	0	0	0	0	113.9	D397 V398 R435	D397-S400 VanDerWaalsContact O-CB 3.26Å; D397-S400 WeakPolarHBondContact O-CB 3.42Å; D397-S400 PolarHBondContact O-N 3.1Å; D397-S400 PolarHBondContact O-OG 3.47Å; V398-S400 PolarHBondContact O-N 2.89Å; V398-S400 VanDerWaalsContact O-N 3.15Å; S400-R435 VanDerWaalsContact O-CD 3.29Å; S400-R435 WeakPolarHBondContact O-CD 3.13Å; S400-R435 VanDerWaalsContact O-CZ 3.27Å; S400-R435 PolarHBondContact O-NE 3.09Å; S400-R435 PolarHBondContact O-NH1 3.46Å
401	Y	88.7	Confident	86.7	Confident	17 Å²	17	15.9 Å²	15.9	7%	0.067	9%	0.094	C	C	.	.			trans	-102.4	153.6	179.9	-63.3	-91.6	0	0	0	111.2	D397 V398 V404 L436 F535 I564	D397-Y401 HydrophobicContact CB-CE2 4.35Å; D397-Y401 WeakPolarHBondContact O-CD2 3.48Å; D397-Y401 WeakPolarHBondContact O-CE2 3.22Å; V398-Y401 PolarHBondContact O-N 2.91Å; Y401-V404 HydrophobicContact CD2-CG1 4.41Å; Y401-V404 HydrophobicContact CG-CG1 4.25Å; Y401-L436 VanDerWaalsContact O-CA 3.32Å; Y401-L436 WeakPolarHBondContact O-CA 3.25Å; Y401-L436 PolarHBondContact O-N 3.38Å; Y401-F535 HydrophobicContact CD2-CE2 4.06Å; Y401-F535 AromaticContact CD2-CZ 3.94Å; Y401-F535 HydrophobicContact CD2-CZ 3.94Å; Y401-F535 HydrophobicContact CE2-CE2 4.12Å; Y401-F535 AromaticContact CE2-CZ 3.64Å; Y401-F535 HydrophobicContact CE2-CZ 3.64Å; Y401-I564 HydrophobicContact CE1-CB 4.09Å; Y401-I564 HydrophobicContact CE1-CD1 3.84Å; Y401-I564 HydrophobicContact CE1-CG1 4.48Å; Y401-I564 HydrophobicContact CE1-CG2 4.42Å; Y401-I564 WeakPolarHBondContact OH-CG2 3.32Å
402	E	90.1	Very high	86.6	Confident	60 Å²	60	16.1 Å²	16.1	28%	0.28	10%	0.097	S	C	.	.	S	Bend	trans	-82.4	-35.7	173.2	-68.4	-179.5	-137.4	0	0	111.9	R435 K437 K438	E402-R435 WeakPolarHBondContact CA-O 3.36Å; E402-R435 HydrophobicContact CG-CG 3.69Å; E402-R435 IonicContact OE1-NE 3.67Å; E402-R435 IonicContact OE1-NH2 3.43Å; E402-K437 PolarHBondContact O-N 2.82Å; E402-K437 IonicContact OE2-NZ 2.78Å; E402-K437 PolarHBondContact OE2-NZ 3.3Å; E402-K438 PolarHBondContact O-N 3.4Å
403	V	93.1	Very high	86.9	Confident	4 Å²	4	15.3 Å²	15.3	2%	0.024	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.3	178.6	-174.9	0	0	0	0	108.1	K438 Y440 H527 I532 G533	V403-K438 WeakPolarHBondContact CA-O 3.33Å; V403-K438 HydrophobicContact CG1-CB 4.29Å; V403-K438 HydrophobicContact CG1-CG 4.47Å; V403-K438 HydrophobicContact CG2-CB 4.37Å; V403-Y440 HydrophobicContact CG1-CD2 3.94Å; V403-Y440 HydrophobicContact CG1-CE2 3.7Å; V403-H527 HydrophobicContact CG2-CB 4.38Å; V403-I532 HydrophobicContact CB-CG1 4.27Å; V403-I532 HydrophobicContact CB-CG2 4.38Å; V403-I532 HydrophobicContact CG1-CG2 4.13Å; V403-I532 WeakPolarHBondContact O-CA 3.01Å; V403-G533 PolarHBondContact O-N 3.34Å
404	V	94.4	Very high	87.4	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.5	177.4	-59.9	0	0	0	0	111.7	V398 Y401 L406 L436 K438 I439 Y440 G533 F535	V398-V404 HydrophobicContact CG1-CG1 4.24Å; V398-V404 HydrophobicContact CG1-CG2 4.32Å; Y401-V404 HydrophobicContact CD2-CG1 4.41Å; Y401-V404 HydrophobicContact CG-CG1 4.25Å; V404-L406 HydrophobicContact CB-CD2 4.31Å; V404-L406 HydrophobicContact CG2-CD2 4.05Å; V404-L406 HydrophobicContact CG2-CG 4.14Å; V404-L436 HydrophobicContact CB-CD1 4.32Å; V404-L436 HydrophobicContact CG1-CD1 3.79Å; V404-L436 HydrophobicContact CG2-CD1 3.77Å; V404-K438 PolarHBondContact N-O 3.05Å; V404-K438 VanDerWaalsContact N-O 3.11Å; V404-I439 HydrophobicContact CG2-CB 4.22Å; V404-I439 HydrophobicContact CG2-CG1 3.87Å; V404-I439 HydrophobicContact CG2-CG2 4.08Å; V404-Y440 PolarHBondContact O-N 3.5Å; V404-G533 CarbonylContact C-O 3.58Å; V404-G533 VanDerWaalsContact CA-O 3.26Å; V404-G533 WeakPolarHBondContact CA-O 3.49Å; V404-F535 HydrophobicContact CB-CD2 4.45Å; V404-F535 HydrophobicContact CB-CE2 4.4Å; V404-F535 HydrophobicContact CG1-CE2 4.02Å
405	M	94.9	Very high	87.9	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	110.8	169.2	-167.7	176.7	74.2	0	0	108.4	V407 Y440 Y442 W516 F520 I523 G533 V534 F535 L546	M405-V407 HydrophobicContact CE-CG2 3.86Å; M405-V407 HydrophobicContact CG-CG2 4.1Å; M405-V407 HydrophobicContact SD-CG2 4.46Å; M405-Y440 CarbonylContact C-O 3.5Å; M405-Y440 VanDerWaalsContact CA-O 3.3Å; M405-Y440 WeakPolarHBondContact CA-O 3.41Å; M405-Y442 HydrophobicContact CG-CD2 3.71Å; M405-Y442 HydrophobicContact CG-CE2 3.59Å; M405-Y442 HydrophobicContact SD-CD2 4.15Å; M405-Y442 HydrophobicContact SD-CE2 3.74Å; M405-W516 HydrophobicContact SD-CZ3 4.48Å; M405-F520 HydrophobicContact CE-CD2 4.38Å; M405-F520 HydrophobicContact CE-CE1 4.23Å; M405-F520 HydrophobicContact CE-CE2 3.42Å; M405-F520 VanDerWaalsContact CE-CE2 3.42Å; M405-F520 HydrophobicContact CE-CZ 3.33Å; M405-F520 HydrophobicContact SD-CE2 4.11Å; M405-F520 HydrophobicContact SD-CZ 4.38Å; M405-I523 HydrophobicContact SD-CD1 4Å; M405-G533 PolarHBondContact N-O 3.46Å; M405-V534 HydrophobicContact CB-CG2 4.26Å; M405-V534 HydrophobicContact CE-CB 4.17Å; M405-V534 HydrophobicContact CE-CG1 3.3Å; M405-V534 HydrophobicContact CE-CG2 3.87Å; M405-V534 CarbonylContact O-C 3.56Å; M405-V534 WeakPolarHBondContact O-CA 3.4Å; M405-F535 PolarHBondContact O-N 2.84Å; M405-L546 HydrophobicContact CE-CD2 4.3Å
406	L	94.4	Very high	88.3	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.9	179	-54.4	-177.4	0	0	0	108.3	V398 V404 F416 I419 I439 Y440 F441 Y442 F535	V398-L406 HydrophobicContact CG2-CD2 4.19Å; V404-L406 HydrophobicContact CB-CD2 4.31Å; V404-L406 HydrophobicContact CG2-CD2 4.05Å; V404-L406 HydrophobicContact CG2-CG 4.14Å; L406-F416 HydrophobicContact CB-CD1 3.81Å; L406-F416 HydrophobicContact CB-CD2 4.46Å; L406-F416 HydrophobicContact CB-CE1 3.91Å; L406-F416 HydrophobicContact CB-CG 4.11Å; L406-F416 HydrophobicContact CB-CZ 4.27Å; L406-F416 HydrophobicContact CD1-CB 4.42Å; L406-F416 HydrophobicContact CD1-CD1 3.9Å; L406-F416 HydrophobicContact CD1-CG 4.35Å; L406-F416 HydrophobicContact CD2-CD1 3.85Å; L406-F416 HydrophobicContact CD2-CE1 3.76Å; L406-F416 HydrophobicContact CG-CD1 4.05Å; L406-F416 HydrophobicContact CG-CE1 4.27Å; L406-I419 HydrophobicContact CD1-CG2 4.23Å; L406-I439 HydrophobicContact CD1-CG2 3.71Å; L406-I439 HydrophobicContact CG-CG2 4.06Å; L406-Y440 PolarHBondContact N-O 2.95Å; L406-F441 HydrophobicContact CB-CD2 3.93Å; L406-F441 HydrophobicContact CD1-CD2 4.44Å; L406-F441 CarbonylContact O-C 3.57Å; L406-F441 WeakPolarHBondContact O-CA 3.38Å; L406-Y442 PolarHBondContact O-N 3.05Å; L406-F535 HydrophobicContact CD2-CB 3.97Å; L406-F535 HydrophobicContact CD2-CD2 3.92Å; L406-F535 HydrophobicContact CD2-CG 4.22Å
407	V	94.2	Very high	88.7	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	110.8	-179.1	-172.3	0	0	0	0	109.6	M405 F416 Y442 L444 W516 F535 L536 C537 L542 L546	M405-V407 HydrophobicContact CE-CG2 3.86Å; M405-V407 HydrophobicContact CG-CG2 4.1Å; M405-V407 HydrophobicContact SD-CG2 4.46Å; V407-F416 VanDerWaalsContact C-CE2 3.46Å; V407-F416 VanDerWaalsContact O-CE2 3.29Å; V407-F416 WeakPolarHBondContact O-CE2 3.31Å; V407-Y442 CarbonylContact C-O 3.02Å; V407-Y442 WeakPolarHBondContact CA-O 3.34Å; V407-Y442 HydrophobicContact CG2-CD2 4.32Å; V407-L444 HydrophobicContact CG1-CD1 3.58Å; V407-W516 HydrophobicContact CB-CH2 4.47Å; V407-W516 HydrophobicContact CG1-CH2 3.63Å; V407-W516 HydrophobicContact CG1-CZ2 4.01Å; V407-W516 HydrophobicContact CG2-CH2 3.94Å; V407-W516 HydrophobicContact CG2-CZ3 4.17Å; V407-F535 PolarHBondContact N-O 2.71Å; V407-L536 HydrophobicContact CB-CD1 4.02Å; V407-L536 HydrophobicContact CG1-CD1 3.91Å; V407-L536 WeakPolarHBondContact O-CA 3.35Å; V407-L536 WeakPolarHBondContact O-CD1 3.3Å; V407-C537 PolarHBondContact O-N 3.45Å; V407-L542 HydrophobicContact CG1-CD2 4.21Å; V407-L546 HydrophobicContact CB-CD1 4Å; V407-L546 HydrophobicContact CG1-CD1 3.99Å; V407-L546 HydrophobicContact CG2-CD1 3.95Å
408	G	91.6	Very high	89	Confident	0 Å²	0	13.2 Å²	13.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.2	176.7	0	0	0	0	0	111.7	Y442 W443 L444	G408-Y442 PolarHBondContact N-O 2.88Å; G408-W443 WeakPolarHBondContact O-CA 3.45Å; G408-L444 PolarHBondContact O-N 3.28Å
409	A	88.9	Confident	89.2	Confident	21 Å²	21	13.2 Å²	13.2	17%	0.174	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	122.6	172.3	0	0	0	0	0	111.6	I411 G412 L444 C537 L542	A409-I411 PolarHBondContact O-N 3.33Å; A409-G412 WeakPolarHBondContact O-CA 3.36Å; A409-G412 PolarHBondContact O-N 2.78Å; A409-L444 CarbonylContact C-O 3.55Å; A409-L444 VanDerWaalsContact CA-O 3.29Å; A409-L444 WeakPolarHBondContact CA-O 3.34Å; A409-C537 PolarHBondContact N-O 3.14Å; A409-L542 HydrophobicContact CB-CD2 4.31Å
410	G	84.3	Confident	89.4	Confident	24 Å²	24	11.5 Å²	11.5	25%	0.247	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	59.2	-131.3	-177.1	0	0	0	0	0	112.4	G412 V413 W443 L444	G410-G412 PolarHBondContact O-N 2.65Å; G410-G412 VanDerWaalsContact O-N 3.13Å; G410-V413 PolarHBondContact O-N 3.42Å; G410-W443 PolarHBondContact O-NE1 3.19Å; G410-L444 PolarHBondContact N-O 2.99Å
411	I	81.4	Confident	89.6	Confident	60 Å²	60	11.9 Å²	11.9	31%	0.308	7%	0.069	S	C	.	.	G	3₁₀ helix	trans	-65.1	-11.2	174.2	-160.2	65.2	0	0	0	112.7	T307 R356 A409 V413 T414	T307-I411 HydrophobicContact CG2-CD1 4.45Å; R356-I411 HydrophobicContact CB-CD1 4.16Å; R356-I411 HydrophobicContact CB-CG1 4.14Å; A409-I411 PolarHBondContact O-N 3.33Å; I411-V413 PolarHBondContact O-N 2.8Å; I411-T414 HydrophobicContact CD1-CG2 4.14Å; I411-T414 HydrophobicContact CG1-CG2 4.15Å; I411-T414 VanDerWaalsContact O-CG2 3.3Å; I411-T414 WeakPolarHBondContact O-CG2 3.23Å; I411-T414 PolarHBondContact O-N 3.46Å; I411-T414 PolarHBondContact O-OG1 3.41Å
412	G	83.4	Confident	89.6	Confident	7 Å²	7	11 Å²	11	7%	0.072	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-64.6	1.5	175.2	0	0	0	0	0	114.6	A409 G410 T414 P415 C537	A409-G412 WeakPolarHBondContact O-CA 3.36Å; A409-G412 PolarHBondContact O-N 2.78Å; G410-G412 PolarHBondContact O-N 2.65Å; G410-G412 VanDerWaalsContact O-N 3.13Å; G412-T414 VanDerWaalsContact C-N 3.31Å; G412-P415 WeakPolarHBondContact O-CD 3.37Å; G412-C537 WeakPolarHBondContact CA-SG 3.42Å; G412-C537 WeakPolarHBondContact O-CB 3.43Å; G412-C537 PolarHBondContact O-SG 3.45Å
413	V	86.1	Confident	89.4	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-75	-20.2	171.1	73.9	0	0	0	0	113.6	G410 I411 F416 A417 F441 W443 W453 F454	G410-V413 PolarHBondContact O-N 3.42Å; I411-V413 PolarHBondContact O-N 2.8Å; V413-F416 WeakPolarHBondContact O-CA 3.37Å; V413-F416 WeakPolarHBondContact O-CB 3.35Å; V413-F416 PolarHBondContact O-N 3.1Å; V413-A417 PolarHBondContact O-N 3.18Å; V413-F441 HydrophobicContact CG2-CE2 3.94Å; V413-F441 HydrophobicContact CG2-CZ 3.47Å; V413-F441 VanDerWaalsContact CG2-CZ 3.47Å; V413-W443 HydrophobicContact CB-CZ2 4.42Å; V413-W443 HydrophobicContact CG1-CZ2 3.91Å; V413-W443 HydrophobicContact CG2-CD2 4.23Å; V413-W443 HydrophobicContact CG2-CG 4.3Å; V413-W453 HydrophobicContact CG1-CH2 4.05Å; V413-W453 HydrophobicContact CG1-CZ2 3.46Å; V413-W453 VanDerWaalsContact CG1-CZ2 3.46Å; V413-F454 HydrophobicContact CG1-CD2 4.26Å; V413-F454 HydrophobicContact CG1-CG 4.47Å; V413-F454 HydrophobicContact CG2-CD1 3.98Å; V413-F454 HydrophobicContact CG2-CD2 4.04Å; V413-F454 HydrophobicContact CG2-CE1 3.71Å; V413-F454 HydrophobicContact CG2-CE2 3.73Å; V413-F454 HydrophobicContact CG2-CG 4.14Å; V413-F454 HydrophobicContact CG2-CZ 3.56Å
414	T	87.9	Confident	88.9	Confident	12 Å²	12	11.4 Å²	11.4	7%	0.074	6%	0.064	C	C	.	.	H	α-helix	trans	-49.5	-45.7	-176.2	45.2	0	0	0	0	116.5	T343 H354 I411 G412 F416 A417 W453	T343-T414 HydrophobicContact CG2-CG2 3.84Å; H354-T414 HydrophobicContact CB-CG2 4.04Å; I411-T414 HydrophobicContact CD1-CG2 4.14Å; I411-T414 HydrophobicContact CG1-CG2 4.15Å; I411-T414 VanDerWaalsContact O-CG2 3.3Å; I411-T414 WeakPolarHBondContact O-CG2 3.23Å; I411-T414 PolarHBondContact O-N 3.46Å; I411-T414 PolarHBondContact O-OG1 3.41Å; G412-T414 VanDerWaalsContact C-N 3.31Å; T414-F416 PolarHBondContact O-N 3.16Å; T414-A417 VanDerWaalsContact O-CB 3.25Å; T414-A417 WeakPolarHBondContact O-CB 3.12Å; T414-A417 PolarHBondContact O-N 3.21Å; T414-W453 HydrophobicContact CG2-CH2 4.05Å; T414-W453 HydrophobicContact CG2-CZ2 4.16Å
415	P	88.4	Confident	88.5	Confident	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-60	-36	175	18.6	-29.8	0	0	0	112.7	T341 G412 A417 S418 I419 C537	T341-P415 HydrophobicContact CG2-CB 3.72Å; T341-P415 HydrophobicContact CG2-CG 4.35Å; G412-P415 WeakPolarHBondContact O-CD 3.37Å; P415-A417 VanDerWaalsContact C-N 3.29Å; P415-A417 PolarHBondContact O-N 2.63Å; P415-S418 PolarHBondContact O-N 3.36Å; P415-I419 PolarHBondContact O-N 3.33Å; P415-C537 HydrophobicContact CG-CB 3.79Å
416	F	90.1	Very high	88	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-73.7	-22.7	-178.3	-53.1	-51.1	0	0	0	112.2	L406 V407 V413 T414 I419 L420 F441 F535 C537	L406-F416 HydrophobicContact CB-CD1 3.81Å; L406-F416 HydrophobicContact CB-CD2 4.46Å; L406-F416 HydrophobicContact CB-CE1 3.91Å; L406-F416 HydrophobicContact CB-CG 4.11Å; L406-F416 HydrophobicContact CB-CZ 4.27Å; L406-F416 HydrophobicContact CD1-CB 4.42Å; L406-F416 HydrophobicContact CD1-CD1 3.9Å; L406-F416 HydrophobicContact CD1-CG 4.35Å; L406-F416 HydrophobicContact CD2-CD1 3.85Å; L406-F416 HydrophobicContact CD2-CE1 3.76Å; L406-F416 HydrophobicContact CG-CD1 4.05Å; L406-F416 HydrophobicContact CG-CE1 4.27Å; V407-F416 VanDerWaalsContact C-CE2 3.46Å; V407-F416 VanDerWaalsContact O-CE2 3.29Å; V407-F416 WeakPolarHBondContact O-CE2 3.31Å; V413-F416 WeakPolarHBondContact O-CA 3.37Å; V413-F416 WeakPolarHBondContact O-CB 3.35Å; V413-F416 PolarHBondContact O-N 3.1Å; T414-F416 PolarHBondContact O-N 3.16Å; F416-I419 HydrophobicContact CD1-CD1 3.68Å; F416-I419 HydrophobicContact CE1-CD1 4.27Å; F416-I419 PolarHBondContact O-N 3.46Å; F416-L420 WeakPolarHBondContact O-CB 3.45Å; F416-L420 VanDerWaalsContact O-CG 3.27Å; F416-L420 WeakPolarHBondContact O-CG 3.26Å; F416-L420 PolarHBondContact O-N 3.46Å; F416-F441 HydrophobicContact CB-CD2 4.39Å; F416-F441 HydrophobicContact CB-CE2 3.83Å; F416-F441 HydrophobicContact CD2-CE2 4.13Å; F416-F441 HydrophobicContact CG-CE2 4.24Å; F416-F535 HydrophobicContact CE1-CB 3.91Å; F416-F535 HydrophobicContact CZ-CB 4.21Å; F416-C537 HydrophobicContact CE2-CB 4.06Å; F416-C537 HydrophobicContact CZ-CB 4.21Å
417	A	89.1	Confident	87.1	Confident	2 Å²	2	19.6 Å²	19.6	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-57.1	-51.1	169.7	0	0	0	0	0	111.5	V413 T414 P415 I419 L420 K421 W453 F454 L457	V413-A417 PolarHBondContact O-N 3.18Å; T414-A417 VanDerWaalsContact O-CB 3.25Å; T414-A417 WeakPolarHBondContact O-CB 3.12Å; T414-A417 PolarHBondContact O-N 3.21Å; P415-A417 VanDerWaalsContact C-N 3.29Å; P415-A417 PolarHBondContact O-N 2.63Å; A417-I419 VanDerWaalsContact C-N 3.33Å; A417-I419 PolarHBondContact O-N 3.34Å; A417-L420 PolarHBondContact O-N 2.74Å; A417-K421 WeakPolarHBondContact O-CB 3.48Å; A417-K421 WeakPolarHBondContact O-CG 3.35Å; A417-K421 PolarHBondContact O-N 3.41Å; A417-W453 HydrophobicContact CB-CH2 4.48Å; A417-F454 HydrophobicContact CB-CD2 4.26Å; A417-F454 HydrophobicContact CB-CE2 3.61Å; A417-L457 HydrophobicContact CB-CD2 4.24Å
418	S	90.6	Very high	86.2	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-42	179.4	178.6	0	0	0	0	111.3	L342 T343 S344 P415 S422	L342-S418 WeakPolarHBondContact O-CB 3.38Å; T343-S418 WeakPolarHBondContact O-CA 3.39Å; T343-S418 PolarHBondContact O-N 2.82Å; S344-S418 VanDerWaalsContact O-CB 3.32Å; S344-S418 WeakPolarHBondContact O-CB 3.31Å; S344-S418 PolarHBondContact O-OG 3.29Å; P415-S418 PolarHBondContact O-N 3.36Å; S418-S422 WeakPolarHBondContact O-CB 3.31Å; S418-S422 PolarHBondContact O-N 3.24Å
419	I	90.4	Very high	85.6	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-61.4	-53.1	177	-68.9	161.2	0	0	0	111	V321 V398 L406 P415 F416 A417 K421 S422 V423	V321-I419 HydrophobicContact CB-CG1 3.98Å; V321-I419 HydrophobicContact CG2-CG1 4.24Å; V398-I419 HydrophobicContact CG1-CG2 3.83Å; V398-I419 HydrophobicContact CG2-CD1 3.85Å; L406-I419 HydrophobicContact CD1-CG2 4.23Å; P415-I419 PolarHBondContact O-N 3.33Å; F416-I419 HydrophobicContact CD1-CD1 3.68Å; F416-I419 HydrophobicContact CE1-CD1 4.27Å; F416-I419 PolarHBondContact O-N 3.46Å; A417-I419 VanDerWaalsContact C-N 3.33Å; A417-I419 PolarHBondContact O-N 3.34Å; I419-K421 VanDerWaalsContact C-N 3.35Å; I419-K421 PolarHBondContact O-N 2.78Å; I419-S422 PolarHBondContact O-N 2.73Å; I419-V423 HydrophobicContact CG2-CG2 4.32Å; I419-V423 VanDerWaalsContact O-CG2 3.25Å; I419-V423 WeakPolarHBondContact O-CG2 3.38Å; I419-V423 PolarHBondContact O-N 3.37Å
420	L	89.5	Confident	84.4	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.01	16%	0.163	C	C	.	.	H	α-helix	trans	-64.9	-38.8	-175.8	-70.1	178.1	0	0	0	111.9	F416 A417 V423 W424 I439 F441 F454 L458 L461 L474	F416-L420 WeakPolarHBondContact O-CB 3.45Å; F416-L420 VanDerWaalsContact O-CG 3.27Å; F416-L420 WeakPolarHBondContact O-CG 3.26Å; F416-L420 PolarHBondContact O-N 3.46Å; A417-L420 PolarHBondContact O-N 2.74Å; L420-V423 WeakPolarHBondContact O-CB 3.27Å; L420-V423 PolarHBondContact O-N 3.14Å; L420-W424 PolarHBondContact O-N 2.86Å; L420-I439 HydrophobicContact CD2-CD1 4.05Å; L420-I439 HydrophobicContact CD2-CG2 4.41Å; L420-F441 HydrophobicContact CD1-CD2 4.45Å; L420-F454 HydrophobicContact CD1-CE1 4.27Å; L420-F454 HydrophobicContact CD1-CZ 3.82Å; L420-L458 HydrophobicContact CD1-CD2 3.99Å; L420-L461 HydrophobicContact CB-CD1 3.7Å; L420-L461 HydrophobicContact CD1-CD1 4.12Å; L420-L461 HydrophobicContact CG-CD1 4.36Å; L420-L474 HydrophobicContact CD2-CD1 3.88Å; L420-L474 HydrophobicContact CD2-CD2 4.36Å
421	K	89.5	Confident	83.2	Confident	40 Å²	40	33 Å²	33	17%	0.174	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-44.7	172.3	-73.3	179.7	172.4	-165.6	0	112.5	A345 E348 A417 I419 W424 Y425 L457	A345-K421 HydrophobicContact CB-CB 3.71Å; E348-K421 IonicContact OE1-NZ 3.81Å; A417-K421 WeakPolarHBondContact O-CB 3.48Å; A417-K421 WeakPolarHBondContact O-CG 3.35Å; A417-K421 PolarHBondContact O-N 3.41Å; I419-K421 VanDerWaalsContact C-N 3.35Å; I419-K421 PolarHBondContact O-N 2.78Å; K421-W424 WeakPolarHBondContact O-CB 3.46Å; K421-W424 PolarHBondContact O-N 3.18Å; K421-Y425 HydrophobicContact CB-CE2 4.45Å; K421-Y425 WeakPolarHBondContact O-CD2 3.47Å; K421-Y425 PolarHBondContact O-N 2.85Å; K421-L457 HydrophobicContact CD-CD1 4.5Å; K421-L457 HydrophobicContact CG-CD1 3.65Å; K421-L457 HydrophobicContact CG-CD2 4.05Å
422	S	89.5	Confident	81.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.4	-38	177.7	179.8	0	0	0	0	112.3	E347 S418 I419 W424 Y425 K426	E347-S422 PolarHBondContact OE1-OG 3.39Å; E347-S422 WeakPolarHBondContact OE2-CA 3.44Å; E347-S422 WeakPolarHBondContact OE2-CB 3.4Å; E347-S422 PolarHBondContact OE2-OG 3.34Å; S418-S422 WeakPolarHBondContact O-CB 3.31Å; S418-S422 PolarHBondContact O-N 3.24Å; I419-S422 PolarHBondContact O-N 2.73Å; S422-W424 VanDerWaalsContact C-N 3.26Å; S422-W424 PolarHBondContact O-N 3.03Å; S422-Y425 PolarHBondContact O-N 3.48Å; S422-K426 WeakPolarHBondContact O-CB 3.1Å; S422-K426 VanDerWaalsContact O-CG 3.3Å; S422-K426 WeakPolarHBondContact O-CG 3.36Å; S422-K426 PolarHBondContact O-N 3.01Å; S422-K426 WeakPolarHBondContact OG-CE 3.28Å
423	V	86.2	Confident	80.9	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.018	23%	0.228	C	C	.	.	H	α-helix	trans	-55.1	-46.9	170.5	166	0	0	0	0	110	F399 I419 L420 K426 Y427 L436 I439 F473	F399-V423 HydrophobicContact CE1-CG2 3.59Å; F399-V423 HydrophobicContact CZ-CG2 4.02Å; I419-V423 HydrophobicContact CG2-CG2 4.32Å; I419-V423 VanDerWaalsContact O-CG2 3.25Å; I419-V423 WeakPolarHBondContact O-CG2 3.38Å; I419-V423 PolarHBondContact O-N 3.37Å; L420-V423 WeakPolarHBondContact O-CB 3.27Å; L420-V423 PolarHBondContact O-N 3.14Å; V423-K426 PolarHBondContact O-N 3.44Å; V423-Y427 VanDerWaalsContact O-CB 3.31Å; V423-Y427 WeakPolarHBondContact O-CB 3.42Å; V423-Y427 PolarHBondContact O-N 3.32Å; V423-L436 HydrophobicContact CG2-CD2 4.04Å; V423-I439 HydrophobicContact CG1-CD1 4.23Å; V423-I439 HydrophobicContact CG2-CD1 3.99Å; V423-F473 HydrophobicContact CG1-CE1 3.53Å; V423-F473 HydrophobicContact CG1-CZ 3.93Å
424	W	83	Confident	80.3	Confident	68 Å²	68	45.4 Å²	45.4	26%	0.258	24%	0.24	S	C	.	.	H	α-helix	trans	-60.1	-52.4	176.5	170	67.2	0	0	0	112.7	L420 K421 S422 K426 Y427 C428 L461	L420-W424 PolarHBondContact O-N 2.86Å; K421-W424 WeakPolarHBondContact O-CB 3.46Å; K421-W424 PolarHBondContact O-N 3.18Å; S422-W424 VanDerWaalsContact C-N 3.26Å; S422-W424 PolarHBondContact O-N 3.03Å; W424-K426 VanDerWaalsContact C-N 3.32Å; W424-K426 PolarHBondContact O-N 2.75Å; W424-Y427 PolarHBondContact O-N 3.42Å; W424-Y427 VanDerWaalsContact O-N 3.12Å; W424-C428 VanDerWaalsContact CD1-SG 3.56Å; W424-C428 PolarHBondContact NE1-SG 3.03Å; W424-C428 WeakPolarHBondContact O-CB 3.46Å; W424-C428 PolarHBondContact O-N 3.48Å; W424-C428 PolarHBondContact O-SG 3.27Å; W424-L461 HydrophobicContact CB-CD2 3.55Å; W424-L461 HydrophobicContact CG-CD2 4.08Å
425	Y	85.6	Confident	80.2	Confident	54 Å²	54	51.2 Å²	51.2	21%	0.212	26%	0.26	C	S	.	.	H	α-helix	trans	-57.9	-43.3	178.7	-73.9	-65.1	0	0	0	112.6	A345 E347 E348 K421 S422 Y427 C428 N429	A345-Y425 HydrophobicContact CB-CD2 3.74Å; A345-Y425 HydrophobicContact CB-CE2 3.72Å; E347-Y425 HydrophobicContact CB-CD1 4.32Å; E347-Y425 HydrophobicContact CB-CD2 3.76Å; E347-Y425 HydrophobicContact CB-CE2 4.35Å; E347-Y425 HydrophobicContact CB-CG 3.75Å; E347-Y425 HydrophobicContact CG-CD2 4.32Å; E347-Y425 HydrophobicContact CG-CG 4.16Å; E348-Y425 HydrophobicContact CG-CE2 3.75Å; E348-Y425 WeakPolarHBondContact CG-OH 3.48Å; E348-Y425 PolarHBondContact OE1-OH 3.47Å; K421-Y425 HydrophobicContact CB-CE2 4.45Å; K421-Y425 WeakPolarHBondContact O-CD2 3.47Å; K421-Y425 PolarHBondContact O-N 2.85Å; S422-Y425 PolarHBondContact O-N 3.48Å; Y425-Y427 VanDerWaalsContact C-N 3.32Å; Y425-Y427 PolarHBondContact O-N 3.32Å; Y425-C428 PolarHBondContact O-N 3.38Å; Y425-N429 WeakPolarHBondContact O-CB 3.46Å; Y425-N429 VanDerWaalsContact O-CG 3.3Å; Y425-N429 PolarHBondContact O-N 3.43Å; Y425-N429 PolarHBondContact O-ND2 3.4Å
426	K	83.5	Confident	80.2	Confident	54 Å²	54	51.5 Å²	51.5	24%	0.235	26%	0.262	C	S	.	.	H	α-helix	trans	-66.2	-35.2	178.3	-69.6	176.2	-175.6	176.9	0	112.3	E347 F399 S422 V423 W424 A431 L434	E347-K426 VanDerWaalsContact OE1-CE 3.24Å; E347-K426 WeakPolarHBondContact OE1-CE 3.31Å; F399-K426 HydrophobicContact CE1-CD 4.1Å; F399-K426 HydrophobicContact CZ-CD 4.14Å; S422-K426 WeakPolarHBondContact O-CB 3.1Å; S422-K426 VanDerWaalsContact O-CG 3.3Å; S422-K426 WeakPolarHBondContact O-CG 3.36Å; S422-K426 PolarHBondContact O-N 3.01Å; S422-K426 WeakPolarHBondContact OG-CE 3.28Å; V423-K426 PolarHBondContact O-N 3.44Å; W424-K426 VanDerWaalsContact C-N 3.32Å; W424-K426 PolarHBondContact O-N 2.75Å; K426-A431 HydrophobicContact CB-CB 4.38Å; K426-A431 VanDerWaalsContact O-CB 3.25Å; K426-A431 WeakPolarHBondContact O-CB 3.44Å; K426-A431 PolarHBondContact O-N 3.03Å; K426-A431 VanDerWaalsContact O-N 3.15Å; K426-L434 HydrophobicContact CB-CD1 4Å; K426-L434 HydrophobicContact CB-CD2 4.15Å; K426-L434 HydrophobicContact CD-CD2 3.96Å
427	Y	76.8	Confident	80.1	Confident	64 Å²	64	57.6 Å²	57.6	25%	0.251	29%	0.288	S	S	.	.	H	α-helix	trans	-72.3	-41.8	175.9	-159.2	-98.3	0	0	0	111.8	V423 W424 Y425 N429 N430 R468 N470	V423-Y427 VanDerWaalsContact O-CB 3.31Å; V423-Y427 WeakPolarHBondContact O-CB 3.42Å; V423-Y427 PolarHBondContact O-N 3.32Å; W424-Y427 PolarHBondContact O-N 3.42Å; W424-Y427 VanDerWaalsContact O-N 3.12Å; Y425-Y427 VanDerWaalsContact C-N 3.32Å; Y425-Y427 PolarHBondContact O-N 3.32Å; Y427-N429 VanDerWaalsContact C-N 3.31Å; Y427-N429 PolarHBondContact O-N 3.46Å; Y427-N430 PolarHBondContact O-N 3.14Å; Y427-R468 HydrophobicContact CE1-CB 4.26Å; Y427-R468 PolarHBondContact O-NH1 2.7Å; Y427-N470 WeakPolarHBondContact OH-CB 3.43Å; Y427-N470 PolarHBondContact OH-ND2 2.97Å
428	C	75.3	Confident	80.2	Confident	34 Å²	34	58.9 Å²	58.9	23%	0.23	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-40.4	175.8	-78.1	0	0	0	0	112.3	W424 Y425 N430	W424-C428 VanDerWaalsContact CD1-SG 3.56Å; W424-C428 PolarHBondContact NE1-SG 3.03Å; W424-C428 WeakPolarHBondContact O-CB 3.46Å; W424-C428 PolarHBondContact O-N 3.48Å; W424-C428 PolarHBondContact O-SG 3.27Å; Y425-C428 PolarHBondContact O-N 3.38Å; C428-N430 PolarHBondContact O-N 2.87Å
429	N	77.9	Confident	80.3	Confident	123 Å²	123	58.9 Å²	58.9	66%	0.658	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	15.7	-178	-67.1	-21	0	0	0	114.1	Y425 Y427 A431	Y425-N429 WeakPolarHBondContact O-CB 3.46Å; Y425-N429 VanDerWaalsContact O-CG 3.3Å; Y425-N429 PolarHBondContact O-N 3.43Å; Y425-N429 PolarHBondContact O-ND2 3.4Å; Y427-N429 VanDerWaalsContact C-N 3.31Å; Y427-N429 PolarHBondContact O-N 3.46Å; N429-A431 VanDerWaalsContact C-N 3.33Å; N429-A431 PolarHBondContact O-N 3.41Å
430	N	63	Low	80.4	Confident	122 Å²	122	59.5 Å²	59.5	65%	0.652	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	46.5	179.9	-79.4	-10.2	0	0	0	113.4	Y427 C428 T432	Y427-N430 PolarHBondContact O-N 3.14Å; C428-N430 PolarHBondContact O-N 2.87Å; N430-T432 PolarHBondContact O-N 2.97Å
431	A	59.5	Low	80.6	Confident	49 Å²	49	59.4 Å²	59.4	41%	0.405	30%	0.295	S	S	.	.			trans	-64.1	97.7	171.2	0	0	0	0	0	109.5	K426 N429 N433 L434	K426-A431 HydrophobicContact CB-CB 4.38Å; K426-A431 VanDerWaalsContact O-CB 3.25Å; K426-A431 WeakPolarHBondContact O-CB 3.44Å; K426-A431 PolarHBondContact O-N 3.03Å; K426-A431 VanDerWaalsContact O-N 3.15Å; N429-A431 VanDerWaalsContact C-N 3.33Å; N429-A431 PolarHBondContact O-N 3.41Å; A431-N433 PolarHBondContact O-N 3.36Å; A431-L434 HydrophobicContact CB-CG 4.25Å
432	T	54.8	Low	80.8	Confident	128 Å²	128	57.5 Å²	57.5	79%	0.785	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	1.6	-174	42.4	0	0	0	0	115.2	N430	N430-T432 PolarHBondContact O-N 2.97Å
433	N	62.3	Low	80.8	Confident	150 Å²	150	57.6 Å²	57.6	80%	0.802	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143.3	40.9	-172.1	-73.6	-46.7	0	0	0	114.1	A431 R435	A431-N433 PolarHBondContact O-N 3.36Å; N433-R435 PolarHBondContact O-N 3.44Å
434	L	74.1	Confident	81.1	Confident	48 Å²	48	58.2 Å²	58.2	25%	0.251	29%	0.291	S	S	.	.			trans	-73.4	118.2	167.8	-71.6	173.6	0	0	0	109.9	F399 K426 A431 L436	F399-L434 HydrophobicContact CD1-CD2 4.48Å; K426-L434 HydrophobicContact CB-CD1 4Å; K426-L434 HydrophobicContact CB-CD2 4.15Å; K426-L434 HydrophobicContact CD-CD2 3.96Å; A431-L434 HydrophobicContact CB-CG 4.25Å; L434-L436 VanDerWaalsContact C-N 3.25Å; L434-L436 PolarHBondContact O-N 3.48Å
435	R	85	Confident	81.2	Confident	134 Å²	134	55.1 Å²	55.1	51%	0.506	28%	0.279	S	S	.	.			trans	-65.4	-33.1	172.9	-176.9	174	-178.5	177	8.8	111.9	S400 E402 N433 K437	S400-R435 VanDerWaalsContact O-CD 3.29Å; S400-R435 WeakPolarHBondContact O-CD 3.13Å; S400-R435 VanDerWaalsContact O-CZ 3.27Å; S400-R435 PolarHBondContact O-NE 3.09Å; S400-R435 PolarHBondContact O-NH1 3.46Å; E402-R435 WeakPolarHBondContact CA-O 3.36Å; E402-R435 HydrophobicContact CG-CG 3.69Å; E402-R435 IonicContact OE1-NE 3.67Å; E402-R435 IonicContact OE1-NH2 3.43Å; N433-R435 PolarHBondContact O-N 3.44Å; R435-K437 PolarHBondContact O-N 3.03Å
436	L	88.4	Confident	81.1	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.031	30%	0.302	C	S	.	.			trans	-69	120	179.6	-176.5	64.3	0	0	0	110.5	V398 F399 Y401 V404 V423 L434 I439 F473	V398-L436 HydrophobicContact CG1-CD2 4.33Å; F399-L436 HydrophobicContact CD1-CD2 4.26Å; F399-L436 HydrophobicContact CE1-CD2 4.48Å; Y401-L436 VanDerWaalsContact O-CA 3.32Å; Y401-L436 WeakPolarHBondContact O-CA 3.25Å; Y401-L436 PolarHBondContact O-N 3.38Å; V404-L436 HydrophobicContact CB-CD1 4.32Å; V404-L436 HydrophobicContact CG1-CD1 3.79Å; V404-L436 HydrophobicContact CG2-CD1 3.77Å; V423-L436 HydrophobicContact CG2-CD2 4.04Å; L434-L436 VanDerWaalsContact C-N 3.25Å; L434-L436 PolarHBondContact O-N 3.48Å; L436-I439 HydrophobicContact CD1-CG1 4.32Å; L436-I439 HydrophobicContact CD2-CD1 3.84Å; L436-I439 HydrophobicContact CD2-CG1 3.95Å; L436-I439 HydrophobicContact CG-CG1 4.27Å; L436-F473 HydrophobicContact CD2-CZ 4.41Å; L436-F473 HydrophobicContact CG-CZ 4.23Å; L436-F473 WeakPolarHBondContact O-CE2 3.36Å
437	K	87.5	Confident	80.8	Confident	129 Å²	129	62.3 Å²	62.3	56%	0.561	31%	0.31	S	S	*	.			trans	-112.8	-28.2	-175.8	-66	172.1	-174.8	163.8	0	113.5	E402 R435 F473	E402-K437 PolarHBondContact O-N 2.82Å; E402-K437 IonicContact OE2-NZ 2.78Å; E402-K437 PolarHBondContact OE2-NZ 3.3Å; R435-K437 PolarHBondContact O-N 3.03Å; K437-F473 WeakPolarHBondContact O-CD2 3.3Å; K437-F473 WeakPolarHBondContact O-CE2 3.4Å
438	K	90.9	Very high	80.6	Confident	28 Å²	28	60.9 Å²	60.9	12%	0.122	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	135.3	-175.4	-176.3	67.8	164.5	178	0	111.5	E402 V403 V404 Y440 D472 F473 S475	E402-K438 PolarHBondContact O-N 3.4Å; V403-K438 WeakPolarHBondContact CA-O 3.33Å; V403-K438 HydrophobicContact CG1-CB 4.29Å; V403-K438 HydrophobicContact CG1-CG 4.47Å; V403-K438 HydrophobicContact CG2-CB 4.37Å; V404-K438 PolarHBondContact N-O 3.05Å; V404-K438 VanDerWaalsContact N-O 3.11Å; K438-Y440 HydrophobicContact CD-CE2 4.48Å; K438-Y440 HydrophobicContact CG-CD2 4.14Å; K438-Y440 HydrophobicContact CG-CE2 3.54Å; K438-D472 WeakPolarHBondContact CD-O 3.4Å; K438-D472 WeakPolarHBondContact CE-O 3.28Å; K438-D472 PolarHBondContact NZ-O 3Å; K438-F473 WeakPolarHBondContact CA-O 3.5Å; K438-S475 PolarHBondContact NZ-OG 3.33Å
439	I	92.6	Very high	80.4	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123.4	175.1	-56.6	-179.7	0	0	0	109	V404 L406 L420 V423 L436 F441 F473 L474 S475	V404-I439 HydrophobicContact CG2-CB 4.22Å; V404-I439 HydrophobicContact CG2-CG1 3.87Å; V404-I439 HydrophobicContact CG2-CG2 4.08Å; L406-I439 HydrophobicContact CD1-CG2 3.71Å; L406-I439 HydrophobicContact CG-CG2 4.06Å; L420-I439 HydrophobicContact CD2-CD1 4.05Å; L420-I439 HydrophobicContact CD2-CG2 4.41Å; V423-I439 HydrophobicContact CG1-CD1 4.23Å; V423-I439 HydrophobicContact CG2-CD1 3.99Å; L436-I439 HydrophobicContact CD1-CG1 4.32Å; L436-I439 HydrophobicContact CD2-CD1 3.84Å; L436-I439 HydrophobicContact CD2-CG1 3.95Å; L436-I439 HydrophobicContact CG-CG1 4.27Å; I439-F441 HydrophobicContact CG2-CB 4.41Å; I439-F473 HydrophobicContact CD1-CE1 3.65Å; I439-F473 HydrophobicContact CD1-CZ 4.31Å; I439-F473 HydrophobicContact CG1-CE1 3.9Å; I439-F473 HydrophobicContact CG1-CZ 4.39Å; I439-F473 PolarHBondContact N-O 3.46Å; I439-L474 HydrophobicContact CB-CD1 3.79Å; I439-L474 HydrophobicContact CG2-CD1 3.64Å; I439-S475 PolarHBondContact O-N 3.12Å
440	Y	94.1	Very high	80	Confident	13 Å²	13	58.7 Å²	58.7	5%	0.051	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	112.1	164.7	-62.9	-90.3	0	0	0	108.6	V403 V404 M405 L406 K438 S475 I523 Q526 H527	V403-Y440 HydrophobicContact CG1-CD2 3.94Å; V403-Y440 HydrophobicContact CG1-CE2 3.7Å; V404-Y440 PolarHBondContact O-N 3.5Å; M405-Y440 CarbonylContact C-O 3.5Å; M405-Y440 VanDerWaalsContact CA-O 3.3Å; M405-Y440 WeakPolarHBondContact CA-O 3.41Å; L406-Y440 PolarHBondContact N-O 2.95Å; K438-Y440 HydrophobicContact CD-CE2 4.48Å; K438-Y440 HydrophobicContact CG-CD2 4.14Å; K438-Y440 HydrophobicContact CG-CE2 3.54Å; Y440-S475 CarbonylContact C-O 3.53Å; Y440-S475 WeakPolarHBondContact CA-O 3.49Å; Y440-I523 HydrophobicContact CD1-CD1 4.16Å; Y440-I523 HydrophobicContact CD1-CG1 4.23Å; Y440-I523 HydrophobicContact CD2-CD1 4.19Å; Y440-I523 HydrophobicContact CD2-CG1 4.36Å; Y440-I523 HydrophobicContact CE1-CG1 4.08Å; Y440-I523 HydrophobicContact CE2-CG1 4.23Å; Y440-I523 HydrophobicContact CE2-CG2 4.25Å; Y440-I523 HydrophobicContact CG-CD1 3.99Å; Y440-I523 HydrophobicContact CG-CG1 4.36Å; Y440-Q526 PolarHBondContact OH-OE1 3.5Å; Y440-H527 AromaticContact CE2-NE2 3.65Å; Y440-H527 AromaticContact CZ-NE2 3.69Å; Y440-H527 PolarHBondContact OH-NE2 3.44Å
441	F	93.3	Very high	80.3	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	118.6	-176.9	175.9	-100.8	0	0	0	110.1	L406 V413 F416 L420 I439 W443 F454 L458 L474 S475 Y476 N477	L406-F441 HydrophobicContact CB-CD2 3.93Å; L406-F441 HydrophobicContact CD1-CD2 4.44Å; L406-F441 CarbonylContact O-C 3.57Å; L406-F441 WeakPolarHBondContact O-CA 3.38Å; V413-F441 HydrophobicContact CG2-CE2 3.94Å; V413-F441 HydrophobicContact CG2-CZ 3.47Å; V413-F441 VanDerWaalsContact CG2-CZ 3.47Å; F416-F441 HydrophobicContact CB-CD2 4.39Å; F416-F441 HydrophobicContact CB-CE2 3.83Å; F416-F441 HydrophobicContact CD2-CE2 4.13Å; F416-F441 HydrophobicContact CG-CE2 4.24Å; L420-F441 HydrophobicContact CD1-CD2 4.45Å; I439-F441 HydrophobicContact CG2-CB 4.41Å; F441-W443 HydrophobicContact CE1-CB 3.72Å; F441-W443 HydrophobicContact CE1-CG 4.45Å; F441-W443 HydrophobicContact CZ-CB 3.93Å; F441-W443 HydrophobicContact CZ-CG 4.33Å; F441-F454 HydrophobicContact CE1-CD1 4.43Å; F441-F454 AromaticContact CE1-CE1 3.66Å; F441-F454 HydrophobicContact CE1-CE1 3.66Å; F441-F454 HydrophobicContact CE1-CZ 4.48Å; F441-F454 HydrophobicContact CE2-CE1 4.17Å; F441-F454 HydrophobicContact CE2-CZ 4.21Å; F441-F454 HydrophobicContact CZ-CD1 4.23Å; F441-F454 AromaticContact CZ-CE1 3.32Å; F441-F454 HydrophobicContact CZ-CE1 3.32Å; F441-F454 AromaticContact CZ-CZ 3.78Å; F441-F454 HydrophobicContact CZ-CZ 3.78Å; F441-L458 HydrophobicContact CD1-CD2 4.35Å; F441-L458 HydrophobicContact CE1-CD1 4.11Å; F441-L458 HydrophobicContact CE1-CD2 4.3Å; F441-L474 HydrophobicContact CB-CD1 4.14Å; F441-S475 PolarHBondContact N-O 3.1Å; F441-Y476 CarbonylContact O-C 3.59Å; F441-Y476 WeakPolarHBondContact O-CA 3.25Å; F441-N477 PolarHBondContact O-N 2.92Å
442	Y	93.1	Very high	80.8	Confident	1 Å²	1	54.3 Å²	54.3	0%	0.004	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.3	178.3	-65.5	-96.1	0	0	0	109.1	M405 L406 V407 G408 N477 Y479 W516 E519	M405-Y442 HydrophobicContact CG-CD2 3.71Å; M405-Y442 HydrophobicContact CG-CE2 3.59Å; M405-Y442 HydrophobicContact SD-CD2 4.15Å; M405-Y442 HydrophobicContact SD-CE2 3.74Å; L406-Y442 PolarHBondContact O-N 3.05Å; V407-Y442 CarbonylContact C-O 3.02Å; V407-Y442 WeakPolarHBondContact CA-O 3.34Å; V407-Y442 HydrophobicContact CG2-CD2 4.32Å; G408-Y442 PolarHBondContact N-O 2.88Å; Y442-N477 WeakPolarHBondContact CA-O 3.37Å; Y442-N477 HydrophobicContact CD1-CB 3.87Å; Y442-N477 HydrophobicContact CE1-CB 4.01Å; Y442-N477 WeakPolarHBondContact CE1-ND2 3.3Å; Y442-Y479 AromaticContact CD1-CE2 3.83Å; Y442-Y479 HydrophobicContact CD1-CE2 3.83Å; Y442-Y479 HydrophobicContact CE1-CE2 4.36Å; Y442-W516 HydrophobicContact CD1-CH2 4.13Å; Y442-W516 AromaticContact CD1-CZ3 3.94Å; Y442-W516 HydrophobicContact CD1-CZ3 3.94Å; Y442-W516 HydrophobicContact CD2-CZ3 4.27Å; Y442-W516 HydrophobicContact CE1-CZ3 4.3Å; Y442-W516 HydrophobicContact CG-CH2 4.02Å; Y442-W516 AromaticContact CG-CZ3 3.95Å; Y442-W516 HydrophobicContact CG-CZ3 3.95Å; Y442-E519 HydrophobicContact CE1-CG 4.08Å; Y442-E519 PolarHBondContact OH-OE2 3.44Å
443	W	90.8	Very high	81.7	Confident	2 Å²	2	49.6 Å²	49.6	1%	0.008	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	115.7	177.2	-170	18.3	0	0	0	111.4	G408 G410 V413 F441 C445 A450 F451 F454 N477 Y479	G408-W443 WeakPolarHBondContact O-CA 3.45Å; G410-W443 PolarHBondContact O-NE1 3.19Å; V413-W443 HydrophobicContact CB-CZ2 4.42Å; V413-W443 HydrophobicContact CG1-CZ2 3.91Å; V413-W443 HydrophobicContact CG2-CD2 4.23Å; V413-W443 HydrophobicContact CG2-CG 4.3Å; F441-W443 HydrophobicContact CE1-CB 3.72Å; F441-W443 HydrophobicContact CE1-CG 4.45Å; F441-W443 HydrophobicContact CZ-CB 3.93Å; F441-W443 HydrophobicContact CZ-CG 4.33Å; W443-C445 VanDerWaalsContact CE2-SG 3.53Å; W443-C445 PolarHBondContact NE1-SG 3.37Å; W443-A450 WeakPolarHBondContact CH2-O 3.16Å; W443-A450 VanDerWaalsContact CZ2-O 3.27Å; W443-A450 WeakPolarHBondContact CZ2-O 3.26Å; W443-F451 AromaticContact CD2-CD1 3.84Å; W443-F451 HydrophobicContact CD2-CD1 3.84Å; W443-F451 AromaticContact CD2-CE1 3.92Å; W443-F451 HydrophobicContact CD2-CE1 3.92Å; W443-F451 AromaticContact CE3-CD1 3.54Å; W443-F451 HydrophobicContact CE3-CD1 3.54Å; W443-F451 AromaticContact CE3-CE1 3.99Å; W443-F451 HydrophobicContact CE3-CE1 3.99Å; W443-F451 HydrophobicContact CG-CE1 4.38Å; W443-F451 HydrophobicContact CH2-CB 4.25Å; W443-F451 AromaticContact CH2-CD1 3.71Å; W443-F451 HydrophobicContact CH2-CD1 3.71Å; W443-F451 HydrophobicContact CH2-CG 4.44Å; W443-F451 AromaticContact CZ2-CD1 3.95Å; W443-F451 HydrophobicContact CZ2-CD1 3.95Å; W443-F451 HydrophobicContact CZ3-CB 4.18Å; W443-F451 AromaticContact CZ3-CD1 3.48Å; W443-F451 HydrophobicContact CZ3-CD1 3.48Å; W443-F451 VanDerWaalsContact CZ3-CD1 3.48Å; W443-F451 HydrophobicContact CZ3-CE1 4.36Å; W443-F451 HydrophobicContact CZ3-CG 4.31Å; W443-F454 AromaticContact CE3-CD1 3.95Å; W443-F454 HydrophobicContact CE3-CD1 3.95Å; W443-F454 HydrophobicContact CH2-CB 3.37Å; W443-F454 HydrophobicContact CH2-CD1 4.19Å; W443-F454 HydrophobicContact CH2-CG 4.08Å; W443-F454 HydrophobicContact CZ2-CB 4.25Å; W443-F454 HydrophobicContact CZ3-CB 3.59Å; W443-F454 AromaticContact CZ3-CD1 3.68Å; W443-F454 HydrophobicContact CZ3-CD1 3.68Å; W443-F454 HydrophobicContact CZ3-CG 4.02Å; W443-N477 PolarHBondContact N-O 2.83Å; W443-Y479 PolarHBondContact O-N 2.83Å
444	L	90.6	Very high	82.3	Confident	16 Å²	16	42.4 Å²	42.4	8%	0.084	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118	179.8	-57.4	92.9	0	0	0	110.1	V407 G408 A409 G410 T481 P514 W516 L542	V407-L444 HydrophobicContact CG1-CD1 3.58Å; G408-L444 PolarHBondContact O-N 3.28Å; A409-L444 CarbonylContact C-O 3.55Å; A409-L444 VanDerWaalsContact CA-O 3.29Å; A409-L444 WeakPolarHBondContact CA-O 3.34Å; G410-L444 PolarHBondContact N-O 2.99Å; L444-T481 HydrophobicContact CD2-CG2 4.44Å; L444-P514 HydrophobicContact CD2-CG 3.8Å; L444-P514 HydrophobicContact CG-CG 4.33Å; L444-W516 HydrophobicContact CD1-CH2 4.25Å; L444-W516 HydrophobicContact CD1-CZ2 4.1Å; L444-W516 HydrophobicContact CD2-CZ2 4.21Å; L444-L542 HydrophobicContact CD1-CD2 4.36Å
445	C	86.1	Confident	82.5	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.02	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	159	172.4	-77.6	0	0	0	0	111.4	W443 A450 F451 Y479 T481	W443-C445 VanDerWaalsContact CE2-SG 3.53Å; W443-C445 PolarHBondContact NE1-SG 3.37Å; C445-A450 HydrophobicContact CB-CB 4.3Å; C445-F451 HydrophobicContact CB-CD1 4.28Å; C445-F451 HydrophobicContact CB-CE1 3.49Å; C445-F451 VanDerWaalsContact CB-CE1 3.49Å; C445-F451 HydrophobicContact CB-CE2 4.22Å; C445-F451 HydrophobicContact CB-CZ 3.48Å; C445-F451 VanDerWaalsContact CB-CZ 3.48Å; C445-Y479 PolarHBondContact N-O 2.91Å; C445-T481 PolarHBondContact O-N 3.44Å; C445-T481 PolarHBondContact O-OG1 3.34Å
446	R	83.2	Confident	82.2	Confident	183 Å²	183	39.4 Å²	39.4	69%	0.691	18%	0.183	S	C	*	.	S	Bend	trans	-94.2	-28.8	171.4	-70.7	-177.3	66.5	130.6	3.9	112.1	L480 T481	R446-L480 WeakPolarHBondContact O-CD1 3.48Å; R446-T481 VanDerWaalsContact CG-OG1 3.31Å; R446-T481 WeakPolarHBondContact CG-OG1 3.11Å
447	D	78.3	Confident	81.8	Confident	76 Å²	76	40.2 Å²	40.2	41%	0.406	19%	0.188	S	C	.	.			trans	-116.3	138.4	-173.1	-56.3	-63	0	0	0	109.9	F305 A450	F305-D447 HydrophobicContact CE2-CB 3.65Å; F305-D447 HydrophobicContact CZ-CB 3.81Å; F305-D447 VanDerWaalsContact CZ-OD2 3.29Å; F305-D447 WeakPolarHBondContact CZ-OD2 3.46Å; D447-A450 WeakPolarHBondContact O-CB 3.43Å; D447-A450 PolarHBondContact O-N 2.85Å
448	T	71.9	Confident	81.6	Confident	34 Å²	34	34.1 Å²	34.1	21%	0.209	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-68.5	-40.4	-178.6	49.9	0	0	0	0	112.7	A450 F451 L480 I502	T448-A450 PolarHBondContact O-N 3.39Å; T448-A450 VanDerWaalsContact O-N 3.09Å; T448-F451 WeakPolarHBondContact O-CB 3.48Å; T448-F451 VanDerWaalsContact O-CD2 3.24Å; T448-F451 WeakPolarHBondContact O-CD2 3.14Å; T448-F451 PolarHBondContact O-N 2.85Å; T448-L480 HydrophobicContact CG2-CD1 3.99Å; T448-L480 HydrophobicContact CG2-CD2 3.77Å; T448-I502 HydrophobicContact CG2-CD1 4.01Å; T448-I502 HydrophobicContact CG2-CG2 4.48Å
449	H	71.6	Confident	81.2	Confident	104 Å²	104	36.1 Å²	36.1	48%	0.481	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-62	-18.4	177.5	-59.7	95.1	0	0	0	113.8	F305 F451 E452	F305-H449 HydrophobicContact CB-CB 4.17Å; F305-H449 HydrophobicContact CD2-CB 3.9Å; F305-H449 HydrophobicContact CG-CB 4.38Å; H449-F451 PolarHBondContact O-N 3.42Å; H449-E452 IonicContact CD2-OE1 3.75Å; H449-E452 PolarHBondContact CD2-OE1 2.93Å
450	A	69.1	Low	80.7	Confident	7 Å²	7	40.1 Å²	40.1	6%	0.058	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-67.5	-19.4	174.6	0	0	0	0	0	112.1	F305 W443 C445 D447 T448	F305-A450 HydrophobicContact CD1-CB 4Å; F305-A450 HydrophobicContact CE1-CB 3.9Å; F305-A450 HydrophobicContact CG-CB 4.49Å; F305-A450 HydrophobicContact CZ-CB 4.34Å; W443-A450 WeakPolarHBondContact CH2-O 3.16Å; W443-A450 VanDerWaalsContact CZ2-O 3.27Å; W443-A450 WeakPolarHBondContact CZ2-O 3.26Å; C445-A450 HydrophobicContact CB-CB 4.3Å; D447-A450 WeakPolarHBondContact O-CB 3.43Å; D447-A450 PolarHBondContact O-N 2.85Å; T448-A450 PolarHBondContact O-N 3.39Å; T448-A450 VanDerWaalsContact O-N 3.09Å
451	F	68.3	Low	80.1	Confident	1 Å²	1	39.7 Å²	39.7	0%	0.004	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-78.2	-26.3	-176.9	-61.8	-55.1	0	0	0	114.3	W443 C445 T448 H449 W453 F454 A455 I478 L480 I502 T503	W443-F451 AromaticContact CD2-CD1 3.84Å; W443-F451 HydrophobicContact CD2-CD1 3.84Å; W443-F451 AromaticContact CD2-CE1 3.92Å; W443-F451 HydrophobicContact CD2-CE1 3.92Å; W443-F451 AromaticContact CE3-CD1 3.54Å; W443-F451 HydrophobicContact CE3-CD1 3.54Å; W443-F451 AromaticContact CE3-CE1 3.99Å; W443-F451 HydrophobicContact CE3-CE1 3.99Å; W443-F451 HydrophobicContact CG-CE1 4.38Å; W443-F451 HydrophobicContact CH2-CB 4.25Å; W443-F451 AromaticContact CH2-CD1 3.71Å; W443-F451 HydrophobicContact CH2-CD1 3.71Å; W443-F451 HydrophobicContact CH2-CG 4.44Å; W443-F451 AromaticContact CZ2-CD1 3.95Å; W443-F451 HydrophobicContact CZ2-CD1 3.95Å; W443-F451 HydrophobicContact CZ3-CB 4.18Å; W443-F451 AromaticContact CZ3-CD1 3.48Å; W443-F451 HydrophobicContact CZ3-CD1 3.48Å; W443-F451 VanDerWaalsContact CZ3-CD1 3.48Å; W443-F451 HydrophobicContact CZ3-CE1 4.36Å; W443-F451 HydrophobicContact CZ3-CG 4.31Å; C445-F451 HydrophobicContact CB-CD1 4.28Å; C445-F451 HydrophobicContact CB-CE1 3.49Å; C445-F451 VanDerWaalsContact CB-CE1 3.49Å; C445-F451 HydrophobicContact CB-CE2 4.22Å; C445-F451 HydrophobicContact CB-CZ 3.48Å; C445-F451 VanDerWaalsContact CB-CZ 3.48Å; T448-F451 WeakPolarHBondContact O-CB 3.48Å; T448-F451 VanDerWaalsContact O-CD2 3.24Å; T448-F451 WeakPolarHBondContact O-CD2 3.14Å; T448-F451 PolarHBondContact O-N 2.85Å; H449-F451 PolarHBondContact O-N 3.42Å; F451-W453 PolarHBondContact O-N 3.42Å; F451-F454 PolarHBondContact O-N 2.94Å; F451-A455 VanDerWaalsContact O-CB 3.27Å; F451-A455 WeakPolarHBondContact O-CB 3.39Å; F451-A455 PolarHBondContact O-N 3.46Å; F451-I478 HydrophobicContact CD1-CG2 3.76Å; F451-I478 HydrophobicContact CE1-CG2 3.2Å; F451-I478 HydrophobicContact CE2-CG2 4.1Å; F451-I478 HydrophobicContact CG-CG2 4.41Å; F451-I478 HydrophobicContact CZ-CG2 3.39Å; F451-L480 HydrophobicContact CE2-CD1 4Å; F451-I502 HydrophobicContact CD2-CG2 4.27Å; F451-T503 HydrophobicContact CB-CG2 3.86Å; F451-T503 HydrophobicContact CG-CG2 4.24Å
452	E	71.7	Confident	79.5	Confident	78 Å²	78	41.6 Å²	41.6	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-59.9	-52.5	-167.5	-68.5	171.8	-162.3	0	0	113.4	P304 H449 F454 A455	P304-E452 WeakPolarHBondContact CB-OE2 3.39Å; P304-E452 HydrophobicContact CG-CB 4.41Å; P304-E452 WeakPolarHBondContact CG-OE2 3.45Å; H449-E452 IonicContact CD2-OE1 3.75Å; H449-E452 PolarHBondContact CD2-OE1 2.93Å; E452-F454 VanDerWaalsContact C-N 3.26Å; E452-F454 PolarHBondContact O-N 3.49Å; E452-A455 PolarHBondContact O-N 3.41Å
453	W	71.9	Confident	78.9	Confident	28 Å²	28	44.7 Å²	44.7	11%	0.106	22%	0.218	C	C	.	.	H	α-helix	trans	-67.6	-23.7	-173.1	76.8	-87.5	0	0	0	114.4	H303 H354 V413 T414 A417 F451	H303-W453 HydrophobicContact CB-CB 4.15Å; H354-W453 AromaticContact CD2-CE3 3.59Å; H354-W453 AromaticContact CD2-CZ3 3.61Å; H354-W453 AromaticContact NE2-CE3 3.61Å; H354-W453 AromaticContact NE2-CZ3 3.63Å; V413-W453 HydrophobicContact CG1-CH2 4.05Å; V413-W453 HydrophobicContact CG1-CZ2 3.46Å; V413-W453 VanDerWaalsContact CG1-CZ2 3.46Å; T414-W453 HydrophobicContact CG2-CH2 4.05Å; T414-W453 HydrophobicContact CG2-CZ2 4.16Å; A417-W453 HydrophobicContact CB-CH2 4.48Å; F451-W453 PolarHBondContact O-N 3.42Å
454	F	76.7	Confident	78.3	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-101.2	-20.3	-177.9	-165.9	-97.2	0	0	0	112.2	V413 A417 L420 F441 W443 F451 E452 D456 L457 L458	V413-F454 HydrophobicContact CG1-CD2 4.26Å; V413-F454 HydrophobicContact CG1-CG 4.47Å; V413-F454 HydrophobicContact CG2-CD1 3.98Å; V413-F454 HydrophobicContact CG2-CD2 4.04Å; V413-F454 HydrophobicContact CG2-CE1 3.71Å; V413-F454 HydrophobicContact CG2-CE2 3.73Å; V413-F454 HydrophobicContact CG2-CG 4.14Å; V413-F454 HydrophobicContact CG2-CZ 3.56Å; A417-F454 HydrophobicContact CB-CD2 4.26Å; A417-F454 HydrophobicContact CB-CE2 3.61Å; L420-F454 HydrophobicContact CD1-CE1 4.27Å; L420-F454 HydrophobicContact CD1-CZ 3.82Å; F441-F454 HydrophobicContact CE1-CD1 4.43Å; F441-F454 AromaticContact CE1-CE1 3.66Å; F441-F454 HydrophobicContact CE1-CE1 3.66Å; F441-F454 HydrophobicContact CE1-CZ 4.48Å; F441-F454 HydrophobicContact CE2-CE1 4.17Å; F441-F454 HydrophobicContact CE2-CZ 4.21Å; F441-F454 HydrophobicContact CZ-CD1 4.23Å; F441-F454 AromaticContact CZ-CE1 3.32Å; F441-F454 HydrophobicContact CZ-CE1 3.32Å; F441-F454 AromaticContact CZ-CZ 3.78Å; F441-F454 HydrophobicContact CZ-CZ 3.78Å; W443-F454 AromaticContact CE3-CD1 3.95Å; W443-F454 HydrophobicContact CE3-CD1 3.95Å; W443-F454 HydrophobicContact CH2-CB 3.37Å; W443-F454 HydrophobicContact CH2-CD1 4.19Å; W443-F454 HydrophobicContact CH2-CG 4.08Å; W443-F454 HydrophobicContact CZ2-CB 4.25Å; W443-F454 HydrophobicContact CZ3-CB 3.59Å; W443-F454 AromaticContact CZ3-CD1 3.68Å; W443-F454 HydrophobicContact CZ3-CD1 3.68Å; W443-F454 HydrophobicContact CZ3-CG 4.02Å; F451-F454 PolarHBondContact O-N 2.94Å; E452-F454 VanDerWaalsContact C-N 3.26Å; E452-F454 PolarHBondContact O-N 3.49Å; F454-D456 VanDerWaalsContact C-N 3.29Å; F454-D456 PolarHBondContact O-N 3.35Å; F454-L457 HydrophobicContact CD2-CD2 4.3Å; F454-L457 HydrophobicContact CE2-CD2 3.89Å; F454-L457 HydrophobicContact CZ-CD2 4.33Å; F454-L457 PolarHBondContact O-N 2.74Å; F454-L458 HydrophobicContact CD1-CD1 3.75Å; F454-L458 HydrophobicContact CD1-CD2 4.45Å; F454-L458 HydrophobicContact CD1-CG 3.81Å; F454-L458 HydrophobicContact CE1-CD1 3.86Å; F454-L458 HydrophobicContact CE1-CD2 3.83Å; F454-L458 HydrophobicContact CE1-CG 3.7Å; F454-L458 PolarHBondContact O-N 2.72Å; F454-L458 VanDerWaalsContact O-N 3.16Å
455	A	77.3	Confident	77.7	Confident	5 Å²	5	47 Å²	47	4%	0.041	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-41.6	175.6	0	0	0	0	0	111.2	F451 E452 L457 L458 Q459	F451-A455 VanDerWaalsContact O-CB 3.27Å; F451-A455 WeakPolarHBondContact O-CB 3.39Å; F451-A455 PolarHBondContact O-N 3.46Å; E452-A455 PolarHBondContact O-N 3.41Å; A455-L457 VanDerWaalsContact C-N 3.28Å; A455-L457 PolarHBondContact O-N 3.38Å; A455-L458 PolarHBondContact O-N 3.3Å; A455-L458 VanDerWaalsContact O-N 3.07Å; A455-Q459 WeakPolarHBondContact O-CB 3.27Å; A455-Q459 PolarHBondContact O-N 3.32Å
456	D	78	Confident	77.4	Confident	114 Å²	114	52.1 Å²	52.1	61%	0.61	25%	0.253	S	S	*	.	H	α-helix	trans	-56.4	-42.1	176.9	-68.1	-15	0	0	0	112.4	F454 Q459 L460	F454-D456 VanDerWaalsContact C-N 3.29Å; F454-D456 PolarHBondContact O-N 3.35Å; D456-Q459 PolarHBondContact O-N 2.79Å; D456-L460 WeakPolarHBondContact O-CB 3.29Å; D456-L460 PolarHBondContact O-N 3.08Å
457	L	81.5	Confident	77.3	Confident	23 Å²	23	49.5 Å²	49.5	12%	0.12	25%	0.248	C	C	.	.	H	α-helix	trans	-66.2	-42.8	177.3	177.7	62.4	0	0	0	111.2	A417 K421 F454 A455 L460 L461	A417-L457 HydrophobicContact CB-CD2 4.24Å; K421-L457 HydrophobicContact CD-CD1 4.5Å; K421-L457 HydrophobicContact CG-CD1 3.65Å; K421-L457 HydrophobicContact CG-CD2 4.05Å; F454-L457 HydrophobicContact CD2-CD2 4.3Å; F454-L457 HydrophobicContact CE2-CD2 3.89Å; F454-L457 HydrophobicContact CZ-CD2 4.33Å; F454-L457 PolarHBondContact O-N 2.74Å; A455-L457 VanDerWaalsContact C-N 3.28Å; A455-L457 PolarHBondContact O-N 3.38Å; L457-L460 PolarHBondContact O-N 2.92Å; L457-L461 HydrophobicContact CD1-CD1 4.27Å; L457-L461 HydrophobicContact CD1-CG 4.46Å; L457-L461 HydrophobicContact CG-CD1 4.08Å; L457-L461 WeakPolarHBondContact O-CD1 2.98Å; L457-L461 WeakPolarHBondContact O-CG 3.42Å; L457-L461 PolarHBondContact O-N 3.2Å
458	L	83.3	Confident	77.1	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65.4	-40.9	177.8	-70.6	176.1	0	0	0	111.9	L420 F441 F454 A455 L461 E462 L474 Y476 I478 L505	L420-L458 HydrophobicContact CD1-CD2 3.99Å; F441-L458 HydrophobicContact CD1-CD2 4.35Å; F441-L458 HydrophobicContact CE1-CD1 4.11Å; F441-L458 HydrophobicContact CE1-CD2 4.3Å; F454-L458 HydrophobicContact CD1-CD1 3.75Å; F454-L458 HydrophobicContact CD1-CD2 4.45Å; F454-L458 HydrophobicContact CD1-CG 3.81Å; F454-L458 HydrophobicContact CE1-CD1 3.86Å; F454-L458 HydrophobicContact CE1-CD2 3.83Å; F454-L458 HydrophobicContact CE1-CG 3.7Å; F454-L458 PolarHBondContact O-N 2.72Å; F454-L458 VanDerWaalsContact O-N 3.16Å; A455-L458 PolarHBondContact O-N 3.3Å; A455-L458 VanDerWaalsContact O-N 3.07Å; L458-L461 PolarHBondContact O-N 3.13Å; L458-E462 WeakPolarHBondContact O-CB 3.47Å; L458-E462 PolarHBondContact O-N 2.76Å; L458-L474 HydrophobicContact CD2-CD2 4.45Å; L458-Y476 HydrophobicContact CD1-CD2 4.45Å; L458-I478 HydrophobicContact CD1-CD1 4.36Å; L458-L505 HydrophobicContact CB-CD1 4.03Å; L458-L505 HydrophobicContact CB-CD2 3.91Å; L458-L505 HydrophobicContact CD1-CD1 3.91Å
459	Q	82	Confident	77.4	Confident	70 Å²	70	56.8 Å²	56.8	33%	0.327	28%	0.278	S	S	.	.	H	α-helix	trans	-65.2	-40.9	178.9	-168	177.6	42.2	0	0	111.4	A455 D456 E462 T463 G504 L505	A455-Q459 WeakPolarHBondContact O-CB 3.27Å; A455-Q459 PolarHBondContact O-N 3.32Å; D456-Q459 PolarHBondContact O-N 2.79Å; Q459-E462 PolarHBondContact O-N 3.16Å; Q459-T463 WeakPolarHBondContact O-CB 3.29Å; Q459-T463 PolarHBondContact O-N 3.25Å; Q459-T463 PolarHBondContact O-OG1 3.48Å; Q459-G504 PolarHBondContact NE2-O 3.41Å; Q459-L505 HydrophobicContact CB-CD2 3.73Å; Q459-L505 HydrophobicContact CG-CD2 4.4Å
460	L	82	Confident	77.6	Confident	84 Å²	84	54.1 Å²	54.1	44%	0.44	27%	0.267	S	S	.	.	H	α-helix	trans	-61.1	-45.9	174.1	-178	67.3	0	0	0	111.2	D456 L457 Q464	D456-L460 WeakPolarHBondContact O-CB 3.29Å; D456-L460 PolarHBondContact O-N 3.08Å; L457-L460 PolarHBondContact O-N 2.92Å; L460-Q464 HydrophobicContact CD1-CG 4.45Å; L460-Q464 WeakPolarHBondContact O-CB 2.93Å; L460-Q464 WeakPolarHBondContact O-CG 3.06Å; L460-Q464 PolarHBondContact O-N 2.7Å; L460-Q464 VanDerWaalsContact O-N 3.16Å
461	L	80.6	Confident	77.8	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-63.6	-44.4	178.6	-71.3	166.3	0	0	0	112.1	L420 W424 L457 L458 Q464 M465 L474	L420-L461 HydrophobicContact CB-CD1 3.7Å; L420-L461 HydrophobicContact CD1-CD1 4.12Å; L420-L461 HydrophobicContact CG-CD1 4.36Å; W424-L461 HydrophobicContact CB-CD2 3.55Å; W424-L461 HydrophobicContact CG-CD2 4.08Å; L457-L461 HydrophobicContact CD1-CD1 4.27Å; L457-L461 HydrophobicContact CD1-CG 4.46Å; L457-L461 HydrophobicContact CG-CD1 4.08Å; L457-L461 WeakPolarHBondContact O-CD1 2.98Å; L457-L461 WeakPolarHBondContact O-CG 3.42Å; L457-L461 PolarHBondContact O-N 3.2Å; L458-L461 PolarHBondContact O-N 3.13Å; L461-Q464 PolarHBondContact O-N 2.92Å; L461-M465 WeakPolarHBondContact O-CB 3.41Å; L461-M465 VanDerWaalsContact O-CG 3.27Å; L461-M465 WeakPolarHBondContact O-CG 3.35Å; L461-M465 PolarHBondContact O-N 2.62Å; L461-L474 HydrophobicContact CB-CD2 4.17Å; L461-L474 HydrophobicContact CD1-CD2 4.23Å
462	E	80.8	Confident	78.4	Confident	41 Å²	41	62.7 Å²	62.7	19%	0.192	32%	0.321	C	S	.	.	H	α-helix	trans	-59	-52.5	178.5	-179.9	175.6	-150.9	0	0	111.2	L458 Q459 Q464 M465 Q466 Y476 K506	L458-E462 WeakPolarHBondContact O-CB 3.47Å; L458-E462 PolarHBondContact O-N 2.76Å; Q459-E462 PolarHBondContact O-N 3.16Å; E462-Q464 VanDerWaalsContact C-N 3.31Å; E462-Q464 PolarHBondContact O-N 3.16Å; E462-M465 PolarHBondContact O-N 3.36Å; E462-Q466 WeakPolarHBondContact O-CB 3.33Å; E462-Q466 PolarHBondContact O-N 3.37Å; E462-Y476 PolarHBondContact OE1-OH 3.48Å; E462-Y476 PolarHBondContact OE2-OH 3.27Å; E462-K506 WeakPolarHBondContact OE1-CB 3.26Å; E462-K506 WeakPolarHBondContact OE1-CD 3.43Å
463	T	82.1	Confident	79	Confident	66 Å²	66	59.3 Å²	59.3	41%	0.405	31%	0.305	S	S	.	.	H	α-helix	trans	-57.2	-46.6	-178.7	-54.1	0	0	0	0	110.9	Q459 Q466 E467	Q459-T463 WeakPolarHBondContact O-CB 3.29Å; Q459-T463 PolarHBondContact O-N 3.25Å; Q459-T463 PolarHBondContact O-OG1 3.48Å; T463-Q466 PolarHBondContact O-N 3.31Å; T463-E467 WeakPolarHBondContact O-CG 3.4Å; T463-E467 PolarHBondContact O-N 2.91Å
464	Q	77.9	Confident	79.8	Confident	53 Å²	53	58.6 Å²	58.6	25%	0.248	30%	0.303	C	S	.	.	H	α-helix	trans	-70.2	-35.4	-178	-70.1	-65	-58.6	0	0	113.2	L460 L461 E462 Q466 E467 R468	L460-Q464 HydrophobicContact CD1-CG 4.45Å; L460-Q464 WeakPolarHBondContact O-CB 2.93Å; L460-Q464 WeakPolarHBondContact O-CG 3.06Å; L460-Q464 PolarHBondContact O-N 2.7Å; L460-Q464 VanDerWaalsContact O-N 3.16Å; L461-Q464 PolarHBondContact O-N 2.92Å; E462-Q464 VanDerWaalsContact C-N 3.31Å; E462-Q464 PolarHBondContact O-N 3.16Å; Q464-Q466 VanDerWaalsContact C-N 3.35Å; Q464-E467 PolarHBondContact NE2-OE2 2.88Å; Q464-R468 PolarHBondContact O-N 3.02Å
465	M	77.6	Confident	80.3	Confident	13 Å²	13	60.2 Å²	60.2	6%	0.064	32%	0.315	C	S	.	.	H	α-helix	trans	-68.9	-36.3	175.3	-77.3	-176	165.5	0	0	112	L461 E462 R468 N469 N470 F473 L474	L461-M465 WeakPolarHBondContact O-CB 3.41Å; L461-M465 VanDerWaalsContact O-CG 3.27Å; L461-M465 WeakPolarHBondContact O-CG 3.35Å; L461-M465 PolarHBondContact O-N 2.62Å; E462-M465 PolarHBondContact O-N 3.36Å; M465-R468 PolarHBondContact O-N 3.28Å; M465-N469 PolarHBondContact O-N 3.45Å; M465-N470 CarbonylContact O-C 3.6Å; M465-N470 PolarHBondContact O-N 2.96Å; M465-F473 HydrophobicContact CE-CB 4.04Å; M465-F473 HydrophobicContact CE-CD1 3.15Å; M465-F473 HydrophobicContact CE-CE1 3.8Å; M465-F473 HydrophobicContact CE-CG 3.85Å; M465-F473 HydrophobicContact SD-CB 4.01Å; M465-F473 HydrophobicContact SD-CD1 4.01Å; M465-F473 HydrophobicContact SD-CG 4.44Å; M465-L474 HydrophobicContact CE-CB 4.26Å; M465-L474 HydrophobicContact SD-CB 3.58Å; M465-L474 VanDerWaalsContact SD-CB 3.58Å
466	Q	79.4	Confident	80.8	Confident	111 Å²	111	60.5 Å²	60.5	52%	0.519	32%	0.315	S	S	.	.	H	α-helix	trans	-66.8	-44.3	175.4	-171.4	173.1	-9.7	0	0	111.7	E462 T463 Q464 R468 N469	E462-Q466 WeakPolarHBondContact O-CB 3.33Å; E462-Q466 PolarHBondContact O-N 3.37Å; T463-Q466 PolarHBondContact O-N 3.31Å; Q464-Q466 VanDerWaalsContact C-N 3.35Å; Q466-R468 PolarHBondContact O-N 2.98Å; Q466-R468 VanDerWaalsContact O-N 3.1Å; Q466-N469 PolarHBondContact O-N 3.12Å
467	E	80.6	Confident	81.4	Confident	127 Å²	127	55.9 Å²	55.9	59%	0.593	29%	0.29	S	S	*	.	H	α-helix	trans	-56.3	-27.3	175.4	-76.9	174.5	-175.7	0	0	113.2	T463 Q464	T463-E467 WeakPolarHBondContact O-CG 3.4Å; T463-E467 PolarHBondContact O-N 2.91Å; Q464-E467 PolarHBondContact NE2-OE2 2.88Å
468	R	75.5	Confident	81.7	Confident	103 Å²	103	54.8 Å²	54.8	39%	0.389	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	15.1	-179.8	-65	-172.2	175.6	-150.9	0.8	114.1	Y427 Q464 M465 Q466 N470	Y427-R468 HydrophobicContact CE1-CB 4.26Å; Y427-R468 PolarHBondContact O-NH1 2.7Å; Q464-R468 PolarHBondContact O-N 3.02Å; M465-R468 PolarHBondContact O-N 3.28Å; Q466-R468 PolarHBondContact O-N 2.98Å; Q466-R468 VanDerWaalsContact O-N 3.1Å; R468-N470 PolarHBondContact O-N 3.39Å
469	N	76.5	Confident	81.9	Confident	161 Å²	161	55.1 Å²	55.1	86%	0.861	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	31.1	-178.7	-72.2	-25	0	0	0	114.5	M465 Q466	M465-N469 PolarHBondContact O-N 3.45Å; Q466-N469 PolarHBondContact O-N 3.12Å
470	N	77.1	Confident	82.1	Confident	47 Å²	47	51.8 Å²	51.8	25%	0.251	27%	0.27	S	S	.	.			trans	-127.1	45.6	176.9	-162.9	6.4	0	0	0	111.3	Y427 M465 R468 D472 F473	Y427-N470 WeakPolarHBondContact OH-CB 3.43Å; Y427-N470 PolarHBondContact OH-ND2 2.97Å; M465-N470 CarbonylContact O-C 3.6Å; M465-N470 PolarHBondContact O-N 2.96Å; R468-N470 PolarHBondContact O-N 3.39Å; N470-D472 PolarHBondContact O-N 3.42Å; N470-F473 WeakPolarHBondContact O-CB 3.29Å; N470-F473 PolarHBondContact O-N 3.48Å; N470-F473 VanDerWaalsContact O-N 3.12Å
471	A	72.5	Confident	82.3	Confident	61 Å²	61	50 Å²	50	50%	0.504	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-59.3	-27.5	178.6	0	0	0	0	0	112.3	F473	A471-F473 PolarHBondContact O-N 2.91Å
472	D	81.3	Confident	82.1	Confident	127 Å²	127	51.2 Å²	51.2	68%	0.679	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-77	0.2	178.7	-71	-29.8	0	0	0	113.9	K438 N470	K438-D472 WeakPolarHBondContact CD-O 3.4Å; K438-D472 WeakPolarHBondContact CE-O 3.28Å; K438-D472 PolarHBondContact NZ-O 3Å; N470-D472 PolarHBondContact O-N 3.42Å
473	F	84.8	Confident	81.6	Confident	8 Å²	8	54.8 Å²	54.8	4%	0.035	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-71.7	-41.3	-179.3	-176.3	-85.5	0	0	0	113.2	V423 L436 K437 K438 I439 M465 N470 A471	V423-F473 HydrophobicContact CG1-CE1 3.53Å; V423-F473 HydrophobicContact CG1-CZ 3.93Å; L436-F473 HydrophobicContact CD2-CZ 4.41Å; L436-F473 HydrophobicContact CG-CZ 4.23Å; L436-F473 WeakPolarHBondContact O-CE2 3.36Å; K437-F473 WeakPolarHBondContact O-CD2 3.3Å; K437-F473 WeakPolarHBondContact O-CE2 3.4Å; K438-F473 WeakPolarHBondContact CA-O 3.5Å; I439-F473 HydrophobicContact CD1-CE1 3.65Å; I439-F473 HydrophobicContact CD1-CZ 4.31Å; I439-F473 HydrophobicContact CG1-CE1 3.9Å; I439-F473 HydrophobicContact CG1-CZ 4.39Å; I439-F473 PolarHBondContact N-O 3.46Å; M465-F473 HydrophobicContact CE-CB 4.04Å; M465-F473 HydrophobicContact CE-CD1 3.15Å; M465-F473 HydrophobicContact CE-CE1 3.8Å; M465-F473 HydrophobicContact CE-CG 3.85Å; M465-F473 HydrophobicContact SD-CB 4.01Å; M465-F473 HydrophobicContact SD-CD1 4.01Å; M465-F473 HydrophobicContact SD-CG 4.44Å; N470-F473 WeakPolarHBondContact O-CB 3.29Å; N470-F473 PolarHBondContact O-N 3.48Å; N470-F473 VanDerWaalsContact O-N 3.12Å; A471-F473 PolarHBondContact O-N 2.91Å
474	L	87.8	Confident	81	Confident	13 Å²	13	54.8 Å²	54.8	7%	0.068	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	116.1	-177.4	177.3	63.8	0	0	0	109.6	L420 I439 F441 L458 L461 M465 Y476	L420-L474 HydrophobicContact CD2-CD1 3.88Å; L420-L474 HydrophobicContact CD2-CD2 4.36Å; I439-L474 HydrophobicContact CB-CD1 3.79Å; I439-L474 HydrophobicContact CG2-CD1 3.64Å; F441-L474 HydrophobicContact CB-CD1 4.14Å; L458-L474 HydrophobicContact CD2-CD2 4.45Å; L461-L474 HydrophobicContact CB-CD2 4.17Å; L461-L474 HydrophobicContact CD1-CD2 4.23Å; M465-L474 HydrophobicContact CE-CB 4.26Å; M465-L474 HydrophobicContact SD-CB 3.58Å; M465-L474 VanDerWaalsContact SD-CB 3.58Å; L474-Y476 HydrophobicContact CG-CD1 4.37Å
475	S	88.4	Confident	80.4	Confident	34 Å²	34	59.6 Å²	59.6	24%	0.238	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	113.8	169.9	-64.1	0	0	0	0	108.6	K438 I439 Y440 F441	K438-S475 PolarHBondContact NZ-OG 3.33Å; I439-S475 PolarHBondContact O-N 3.12Å; Y440-S475 CarbonylContact C-O 3.53Å; Y440-S475 WeakPolarHBondContact CA-O 3.49Å; F441-S475 PolarHBondContact N-O 3.1Å
476	Y	87.9	Confident	79.9	Confident	11 Å²	11	62.9 Å²	62.9	4%	0.043	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	140.1	176.6	55.5	-85.7	0	0	0	110.9	F441 L458 E462 L474 I478 L505 Q507	F441-Y476 CarbonylContact O-C 3.59Å; F441-Y476 WeakPolarHBondContact O-CA 3.25Å; L458-Y476 HydrophobicContact CD1-CD2 4.45Å; E462-Y476 PolarHBondContact OE1-OH 3.48Å; E462-Y476 PolarHBondContact OE2-OH 3.27Å; L474-Y476 HydrophobicContact CG-CD1 4.37Å; Y476-I478 HydrophobicContact CD2-CD1 4.35Å; Y476-I478 HydrophobicContact CD2-CG1 4.4Å; Y476-L505 HydrophobicContact CD2-CD1 4.25Å; Y476-L505 HydrophobicContact CE2-CB 3.87Å; Y476-L505 HydrophobicContact CE2-CD1 3.69Å; Y476-L505 HydrophobicContact CE2-CD2 4.48Å; Y476-L505 HydrophobicContact CE2-CG 4.22Å; Y476-Q507 HydrophobicContact CD2-CB 3.93Å; Y476-Q507 HydrophobicContact CE2-CB 3.42Å; Y476-Q507 VanDerWaalsContact CE2-CB 3.42Å; Y476-Q507 VanDerWaalsContact O-CG 3.29Å; Y476-Q507 WeakPolarHBondContact O-CG 3.45Å
477	N	89	Confident	79.2	Confident	16 Å²	16	60.5 Å²	60.5	9%	0.086	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	119.4	176.1	-65.1	-52	0	0	0	108.6	F441 Y442 W443 Y479 Q507	F441-N477 PolarHBondContact O-N 2.92Å; Y442-N477 WeakPolarHBondContact CA-O 3.37Å; Y442-N477 HydrophobicContact CD1-CB 3.87Å; Y442-N477 HydrophobicContact CE1-CB 4.01Å; Y442-N477 WeakPolarHBondContact CE1-ND2 3.3Å; W443-N477 PolarHBondContact N-O 2.83Å; N477-Y479 HydrophobicContact CB-CD2 4.41Å; N477-Y479 HydrophobicContact CB-CE2 3.67Å; N477-Q507 PolarHBondContact OD1-NE2 3.45Å; N477-Q507 VanDerWaalsContact OD1-NE2 3.12Å
478	I	87.7	Confident	78.5	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.005	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.2	-176.7	-57.2	-179.8	0	0	0	108.5	F451 L458 Y476 T503 L505 T509 Q510	F451-I478 HydrophobicContact CD1-CG2 3.76Å; F451-I478 HydrophobicContact CE1-CG2 3.2Å; F451-I478 HydrophobicContact CE2-CG2 4.1Å; F451-I478 HydrophobicContact CG-CG2 4.41Å; F451-I478 HydrophobicContact CZ-CG2 3.39Å; L458-I478 HydrophobicContact CD1-CD1 4.36Å; Y476-I478 HydrophobicContact CD2-CD1 4.35Å; Y476-I478 HydrophobicContact CD2-CG1 4.4Å; I478-T503 HydrophobicContact CD1-CG2 4.05Å; I478-L505 HydrophobicContact CD1-CD1 3.6Å; I478-T509 HydrophobicContact CG2-CG2 4.17Å; I478-Q510 PolarHBondContact O-N 3.42Å
479	Y	88.3	Confident	77.8	Confident	6 Å²	6	55.5 Å²	55.5	2%	0.024	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	120.9	-177.8	-71.2	-94.2	0	0	0	111.5	Y442 W443 C445 N477 Q510 P514	Y442-Y479 AromaticContact CD1-CE2 3.83Å; Y442-Y479 HydrophobicContact CD1-CE2 3.83Å; Y442-Y479 HydrophobicContact CE1-CE2 4.36Å; W443-Y479 PolarHBondContact O-N 2.83Å; C445-Y479 PolarHBondContact N-O 2.91Å; N477-Y479 HydrophobicContact CB-CD2 4.41Å; N477-Y479 HydrophobicContact CB-CE2 3.67Å; Y479-Q510 CarbonylContact C-O 3.59Å; Y479-Q510 VanDerWaalsContact CA-O 3.29Å; Y479-Q510 WeakPolarHBondContact CA-O 3.44Å; Y479-Q510 HydrophobicContact CD1-CB 3.74Å; Y479-Q510 HydrophobicContact CE1-CB 3.65Å; Y479-Q510 HydrophobicContact CE1-CG 4.34Å; Y479-Q510 HydrophobicContact CG-CB 4.4Å; Y479-Q510 PolarHBondContact OH-OE1 3.3Å; Y479-P514 HydrophobicContact CD1-CB 4.4Å; Y479-P514 HydrophobicContact CD1-CG 3.76Å; Y479-P514 HydrophobicContact CD2-CG 3.65Å; Y479-P514 HydrophobicContact CE1-CB 3.92Å; Y479-P514 HydrophobicContact CE1-CG 3.77Å; Y479-P514 HydrophobicContact CE2-CB 4.05Å; Y479-P514 HydrophobicContact CE2-CG 3.63Å; Y479-P514 HydrophobicContact CG-CG 3.7Å
480	L	86.1	Confident	77.3	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	109.8	169.7	-173	67.5	0	0	0	109.9	R446 T448 F451 W483 T509 Q510 Y511 G512	R446-L480 WeakPolarHBondContact O-CD1 3.48Å; T448-L480 HydrophobicContact CG2-CD1 3.99Å; T448-L480 HydrophobicContact CG2-CD2 3.77Å; F451-L480 HydrophobicContact CE2-CD1 4Å; L480-W483 HydrophobicContact CD2-CB 4.19Å; L480-W483 HydrophobicContact CG-CB 4.44Å; L480-T509 HydrophobicContact CB-CG2 3.99Å; L480-Q510 PolarHBondContact N-O 3.33Å; L480-Y511 HydrophobicContact CB-CD1 4.41Å; L480-Y511 HydrophobicContact CB-CE1 4.45Å; L480-Y511 HydrophobicContact CD2-CD1 4.4Å; L480-Y511 HydrophobicContact CD2-CE1 3.98Å; L480-G512 PolarHBondContact O-N 3.27Å
481	T	85.6	Confident	76.6	Confident	46 Å²	46	51.7 Å²	51.7	28%	0.282	28%	0.284	S	S	.	.			trans	-95	-17.6	-175	57.5	0	0	0	0	113.8	L444 C445 R446 G512 R513	L444-T481 HydrophobicContact CD2-CG2 4.44Å; C445-T481 PolarHBondContact O-N 3.44Å; C445-T481 PolarHBondContact O-OG1 3.34Å; R446-T481 VanDerWaalsContact CG-OG1 3.31Å; R446-T481 WeakPolarHBondContact CG-OG1 3.11Å; T481-G512 WeakPolarHBondContact CG2-O 3.28Å; T481-R513 HydrophobicContact CG2-CG 4.46Å
482	G	77.7	Confident	76.1	Confident	30 Å²	30	52 Å²	52	31%	0.309	29%	0.286	S	S	.	.	S	Bend	trans	-110.8	70.6	176	0	0	0	0	0	110.3
483	W	69.1	Low	75.2	Confident	116 Å²	116	51.2 Å²	51.2	44%	0.439	29%	0.286	S	S	.	.			trans	-104.8	149.8	-178	66.1	-84.9	0	0	0	111.2	L480 E485 A488 Y511	L480-W483 HydrophobicContact CD2-CB 4.19Å; L480-W483 HydrophobicContact CG-CB 4.44Å; W483-E485 HydrophobicContact CZ3-CG 4.44Å; W483-A488 HydrophobicContact CE3-CB 3.57Å; W483-A488 HydrophobicContact CZ3-CB 3.65Å; W483-Y511 HydrophobicContact CB-CD1 3.84Å; W483-Y511 HydrophobicContact CB-CE1 4.46Å; W483-Y511 HydrophobicContact CD2-CD1 4.49Å; W483-Y511 HydrophobicContact CG-CD1 4.03Å
484	D	69.6	Low	74.1	Confident	66 Å²	66	53.9 Å²	53.9	35%	0.353	30%	0.298	S	S	.	.			trans	-111.4	160.9	168.7	69.1	38.5	0	0	0	110.8	S486 Q487 A488	D484-S486 VanDerWaalsContact C-N 3.26Å; D484-S486 PolarHBondContact O-N 3.17Å; D484-S486 PolarHBondContact OD1-N 2.97Å; D484-S486 VanDerWaalsContact OD1-N 3.13Å; D484-S486 PolarHBondContact OD1-OG 3.16Å; D484-Q487 PolarHBondContact O-N 3.19Å; D484-Q487 WeakPolarHBondContact OD1-CB 3.49Å; D484-Q487 WeakPolarHBondContact OD1-CG 3.36Å; D484-Q487 PolarHBondContact OD1-N 3.17Å; D484-Q487 PolarHBondContact OD2-NE2 3.29Å; D484-A488 PolarHBondContact O-N 3.06Å
485	E	67.1	Low	72.9	Confident	154 Å²	154	58.4 Å²	58.4	72%	0.72	32%	0.318	S	S	*	.	H	α-helix	trans	-62.4	-31.9	-178	-72.7	-177.6	169.4	0	0	112.7	W483 N489	W483-E485 HydrophobicContact CZ3-CG 4.44Å; E485-N489 WeakPolarHBondContact O-CB 3.35Å; E485-N489 PolarHBondContact O-N 2.91Å; E485-N489 PolarHBondContact O-ND2 3.42Å
486	S	65.2	Low	71.7	Confident	82 Å²	82	64.3 Å²	64.3	57%	0.573	35%	0.348	S	S	*	.	H	α-helix	trans	-68.7	-39.6	178.4	44.2	0	0	0	0	113.3	D484 H490	D484-S486 VanDerWaalsContact C-N 3.26Å; D484-S486 PolarHBondContact O-N 3.17Å; D484-S486 PolarHBondContact OD1-N 2.97Å; D484-S486 VanDerWaalsContact OD1-N 3.13Å; D484-S486 PolarHBondContact OD1-OG 3.16Å; S486-H490 PolarHBondContact O-N 3.27Å
487	Q	66.4	Low	70.8	Confident	61 Å²	61	68.1 Å²	68.1	29%	0.285	37%	0.366	S	S	.	.	H	α-helix	trans	-64.5	-53.3	173.8	-79.7	174.6	23.2	0	0	108.8	D484 N489 H490 F491	D484-Q487 PolarHBondContact O-N 3.19Å; D484-Q487 WeakPolarHBondContact OD1-CB 3.49Å; D484-Q487 WeakPolarHBondContact OD1-CG 3.36Å; D484-Q487 PolarHBondContact OD1-N 3.17Å; D484-Q487 PolarHBondContact OD2-NE2 3.29Å; Q487-N489 PolarHBondContact O-N 3.2Å; Q487-H490 WeakPolarHBondContact O-CB 3.38Å; Q487-H490 PolarHBondContact O-N 3.3Å; Q487-H490 VanDerWaalsContact O-N 3.09Å; Q487-F491 HydrophobicContact CB-CD2 4.19Å; Q487-F491 HydrophobicContact CB-CE2 3.72Å; Q487-F491 HydrophobicContact CG-CE2 4.33Å; Q487-F491 WeakPolarHBondContact O-CD2 3.41Å; Q487-F491 WeakPolarHBondContact O-CE2 3.45Å; Q487-F491 VanDerWaalsContact O-CG 3.3Å; Q487-F491 WeakPolarHBondContact O-CG 3.31Å; Q487-F491 PolarHBondContact O-N 3.26Å
488	A	64.9	Low	69.7	Low	19 Å²	19	75.8 Å²	75.8	16%	0.157	40%	0.401	C	S	.	.	H	α-helix	trans	-55.9	-39.5	178.6	0	0	0	0	0	112.7	W483 D484 F491 A492	W483-A488 HydrophobicContact CE3-CB 3.57Å; W483-A488 HydrophobicContact CZ3-CB 3.65Å; D484-A488 PolarHBondContact O-N 3.06Å; A488-F491 PolarHBondContact O-N 2.94Å; A488-A492 WeakPolarHBondContact O-CB 3.48Å; A488-A492 PolarHBondContact O-N 2.98Å
489	N	60.7	Low	69.1	Low	106 Å²	106	81.7 Å²	81.7	57%	0.567	43%	0.427	S	S	*	.	H	α-helix	trans	-66.9	-44.7	175.8	-73.2	-21.8	0	0	0	112.6	E485 Q487 F491 A492 V493	E485-N489 WeakPolarHBondContact O-CB 3.35Å; E485-N489 PolarHBondContact O-N 2.91Å; E485-N489 PolarHBondContact O-ND2 3.42Å; Q487-N489 PolarHBondContact O-N 3.2Å; N489-F491 PolarHBondContact O-N 3.07Å; N489-A492 PolarHBondContact O-N 2.85Å; N489-V493 VanDerWaalsContact O-CG2 3.3Å; N489-V493 WeakPolarHBondContact O-CG2 3.47Å; N489-V493 PolarHBondContact O-N 3.14Å
490	H	66.6	Low	68.3	Low	101 Å²	101	82 Å²	82	47%	0.468	43%	0.429	S	S	.	.	H	α-helix	trans	-56.7	-40.8	173.8	-177.6	-100	0	0	0	111.2	S486 Q487 H494	S486-H490 PolarHBondContact O-N 3.27Å; Q487-H490 WeakPolarHBondContact O-CB 3.38Å; Q487-H490 PolarHBondContact O-N 3.3Å; Q487-H490 VanDerWaalsContact O-N 3.09Å; H490-H494 PolarHBondContact O-CD2 3.33Å; H490-H494 VanDerWaalsContact O-CD2 3.24Å; H490-H494 PolarHBondContact O-N 3.2Å
491	F	62.9	Low	67.4	Low	28 Å²	28	85.2 Å²	85.2	12%	0.123	45%	0.448	C	S	.	.	H	α-helix	trans	-76.4	-32.4	-179.4	-60.1	-56.6	0	0	0	114.4	Q487 A488 N489 V493 H494 H495 I502 Y511	Q487-F491 HydrophobicContact CB-CD2 4.19Å; Q487-F491 HydrophobicContact CB-CE2 3.72Å; Q487-F491 HydrophobicContact CG-CE2 4.33Å; Q487-F491 WeakPolarHBondContact O-CD2 3.41Å; Q487-F491 WeakPolarHBondContact O-CE2 3.45Å; Q487-F491 VanDerWaalsContact O-CG 3.3Å; Q487-F491 WeakPolarHBondContact O-CG 3.31Å; Q487-F491 PolarHBondContact O-N 3.26Å; A488-F491 PolarHBondContact O-N 2.94Å; N489-F491 PolarHBondContact O-N 3.07Å; F491-V493 VanDerWaalsContact C-N 3.28Å; F491-V493 PolarHBondContact O-N 2.9Å; F491-H494 CarbonylContact O-C 3.46Å; F491-H494 PolarHBondContact O-N 3.21Å; F491-H495 PolarHBondContact O-N 3.19Å; F491-I502 HydrophobicContact CD1-CD1 4.31Å; F491-I502 HydrophobicContact CD1-CG1 4.24Å; F491-I502 HydrophobicContact CE1-CD1 3.54Å; F491-I502 HydrophobicContact CE1-CG1 3.34Å; F491-I502 HydrophobicContact CE2-CD1 3.92Å; F491-I502 HydrophobicContact CZ-CD1 3.32Å; F491-I502 HydrophobicContact CZ-CG1 3.58Å; F491-Y511 HydrophobicContact CB-CE2 4.26Å; F491-Y511 WeakPolarHBondContact CB-OH 3.45Å; F491-Y511 AromaticContact CD2-CE1 3.77Å; F491-Y511 HydrophobicContact CD2-CE1 3.77Å; F491-Y511 AromaticContact CD2-CZ 3.48Å; F491-Y511 VanDerWaalsContact CD2-CZ 3.48Å; F491-Y511 WeakPolarHBondContact CD2-OH 3.27Å; F491-Y511 HydrophobicContact CE2-CE1 4.23Å; F491-Y511 AromaticContact CG-CZ 3.89Å; F491-Y511 WeakPolarHBondContact CG-OH 3.39Å
492	A	62	Low	66.6	Low	66 Å²	66	85 Å²	85	55%	0.545	45%	0.445	S	S	.	.	H	α-helix	trans	-64.3	-35.6	173.9	0	0	0	0	0	111.6	A488 N489 H494 H495	A488-A492 WeakPolarHBondContact O-CB 3.48Å; A488-A492 PolarHBondContact O-N 2.98Å; N489-A492 PolarHBondContact O-N 2.85Å; A492-H494 VanDerWaalsContact C-N 3.34Å; A492-H495 VanDerWaalsContact O-CB 3.31Å; A492-H495 WeakPolarHBondContact O-CB 3.48Å; A492-H495 PolarHBondContact O-N 3.38Å
493	V	61.8	Low	66.3	Low	112 Å²	112	84.1 Å²	84.1	68%	0.679	43%	0.434	S	S	*	.	H	α-helix	trans	-67	-35.6	177.4	174.4	0	0	0	0	111.8	N489 F491 H495	N489-V493 VanDerWaalsContact O-CG2 3.3Å; N489-V493 WeakPolarHBondContact O-CG2 3.47Å; N489-V493 PolarHBondContact O-N 3.14Å; F491-V493 VanDerWaalsContact C-N 3.28Å; F491-V493 PolarHBondContact O-N 2.9Å; V493-H495 VanDerWaalsContact C-N 3.33Å
494	H	62.2	Low	66.4	Low	63 Å²	63	79.9 Å²	79.9	29%	0.292	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	16.5	176.8	-66.9	-76.9	0	0	0	113.2	H490 F491 A492 D496 E497 V501	H490-H494 PolarHBondContact O-CD2 3.33Å; H490-H494 VanDerWaalsContact O-CD2 3.24Å; H490-H494 PolarHBondContact O-N 3.2Å; F491-H494 CarbonylContact O-C 3.46Å; F491-H494 PolarHBondContact O-N 3.21Å; A492-H494 VanDerWaalsContact C-N 3.34Å; H494-D496 PolarHBondContact O-N 3.34Å; H494-E497 IonicContact CE1-OE1 2.68Å; H494-E497 IonicContact CG-OE1 3.84Å; H494-E497 IonicContact ND1-OE1 3.92Å; H494-E497 PolarHBondContact ND1-OE1 3.33Å; H494-E497 PolarHBondContact O-N 3.16Å; H494-V501 HydrophobicContact CB-CG2 3.49Å; H494-V501 VanDerWaalsContact CB-CG2 3.49Å
495	H	61.2	Low	66.9	Low	108 Å²	108	76.7 Å²	76.7	50%	0.5	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-22.3	-179	-166.8	79.6	0	0	0	112.5	F491 A492 V493 E497 K508	F491-H495 PolarHBondContact O-N 3.19Å; A492-H495 VanDerWaalsContact O-CB 3.31Å; A492-H495 WeakPolarHBondContact O-CB 3.48Å; A492-H495 PolarHBondContact O-N 3.38Å; V493-H495 VanDerWaalsContact C-N 3.33Å; H495-E497 VanDerWaalsContact C-N 3.27Å; H495-E497 PolarHBondContact O-N 2.94Å; H495-K508 VanDerWaalsContact O-CE 3.32Å; H495-K508 WeakPolarHBondContact O-CE 3.15Å; H495-K508 PolarHBondContact O-NZ 2.87Å
496	D	63.4	Low	67.3	Low	159 Å²	159	75.4 Å²	75.4	85%	0.85	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.2	-179.3	-66.6	-27.7	0	0	0	113.6	H494	H494-D496 PolarHBondContact O-N 3.34Å
497	E	68.8	Low	68	Low	91 Å²	91	75.5 Å²	75.5	43%	0.425	39%	0.392	S	S	.	.	S	Bend	trans	-73.1	145.2	175.9	-64.7	-176.9	-171.8	0	0	112	H494 H495 K499 K508	H494-E497 IonicContact CE1-OE1 2.68Å; H494-E497 IonicContact CG-OE1 3.84Å; H494-E497 IonicContact ND1-OE1 3.92Å; H494-E497 PolarHBondContact ND1-OE1 3.33Å; H494-E497 PolarHBondContact O-N 3.16Å; H495-E497 VanDerWaalsContact C-N 3.27Å; H495-E497 PolarHBondContact O-N 2.94Å; E497-K499 VanDerWaalsContact C-N 3.26Å; E497-K499 PolarHBondContact O-N 2.97Å; E497-K508 WeakPolarHBondContact O-CE 3.33Å
498	E	66.4	Low	68.6	Low	177 Å²	177	75.9 Å²	75.9	83%	0.827	39%	0.393	S	S	*	.	S	Bend	trans	-69.2	-22.8	-178.7	-73.9	-167.1	156.1	0	0	113.5
499	K	74.4	Confident	69.4	Low	124 Å²	124	75.4 Å²	75.4	54%	0.539	39%	0.388	S	S	.	.	S	Bend	trans	-121.4	147.9	-179.6	-68.9	-178.6	177.3	-178.4	0	110.1	E497 L505	E497-K499 VanDerWaalsContact C-N 3.26Å; E497-K499 PolarHBondContact O-N 2.97Å; K499-L505 WeakPolarHBondContact CA-O 3.29Å
500	D	72.9	Confident	70.6	Confident	14 Å²	14	73.9 Å²	73.9	8%	0.075	38%	0.377	C	S	.	.			trans	-65.9	129.3	175.1	-174.3	69.5	0	0	0	110.9	I502 T503 G504 L505 T509	D500-I502 PolarHBondContact O-N 3.47Å; D500-I502 PolarHBondContact OD2-N 3.46Å; D500-T503 WeakPolarHBondContact CB-OG1 3.33Å; D500-T503 WeakPolarHBondContact OD2-CB 3.47Å; D500-T503 PolarHBondContact OD2-N 3.14Å; D500-T503 PolarHBondContact OD2-OG1 3.36Å; D500-G504 VanDerWaalsContact O-CA 3.25Å; D500-G504 WeakPolarHBondContact O-CA 3.41Å; D500-G504 PolarHBondContact O-N 2.86Å; D500-L505 WeakPolarHBondContact CB-O 3.26Å; D500-L505 PolarHBondContact N-O 2.84Å; D500-T509 PolarHBondContact OD1-N 3.33Å; D500-T509 PolarHBondContact OD1-OG1 3.39Å; D500-T509 PolarHBondContact OD2-OG1 2.85Å
501	V	67.3	Low	71.3	Confident	66 Å²	66	72.8 Å²	72.8	40%	0.4	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-26.1	-175.3	-173.5	0	0	0	0	112.7	H494	H494-V501 HydrophobicContact CB-CG2 3.49Å; H494-V501 VanDerWaalsContact CB-CG2 3.49Å
502	I	68.5	Low	72.4	Confident	41 Å²	41	72.2 Å²	72.2	21%	0.21	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-50.9	-177.8	-52.8	174.6	0	0	0	110.5	T448 F451 F491 D500	T448-I502 HydrophobicContact CG2-CD1 4.01Å; T448-I502 HydrophobicContact CG2-CG2 4.48Å; F451-I502 HydrophobicContact CD2-CG2 4.27Å; F491-I502 HydrophobicContact CD1-CD1 4.31Å; F491-I502 HydrophobicContact CD1-CG1 4.24Å; F491-I502 HydrophobicContact CE1-CD1 3.54Å; F491-I502 HydrophobicContact CE1-CG1 3.34Å; F491-I502 HydrophobicContact CE2-CD1 3.92Å; F491-I502 HydrophobicContact CZ-CD1 3.32Å; F491-I502 HydrophobicContact CZ-CG1 3.58Å; D500-I502 PolarHBondContact O-N 3.47Å; D500-I502 PolarHBondContact OD2-N 3.46Å
503	T	70.3	Confident	73.6	Confident	13 Å²	13	79.6 Å²	79.6	8%	0.08	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-15	-169.1	61.1	0	0	0	0	113.6	F451 I478 D500 L505	F451-T503 HydrophobicContact CB-CG2 3.86Å; F451-T503 HydrophobicContact CG-CG2 4.24Å; I478-T503 HydrophobicContact CD1-CG2 4.05Å; D500-T503 WeakPolarHBondContact CB-OG1 3.33Å; D500-T503 WeakPolarHBondContact OD2-CB 3.47Å; D500-T503 PolarHBondContact OD2-N 3.14Å; D500-T503 PolarHBondContact OD2-OG1 3.36Å; T503-L505 PolarHBondContact O-N 3.2Å; T503-L505 WeakPolarHBondContact OG1-CB 3.28Å
504	G	72.9	Confident	74.9	Confident	26 Å²	26	74.7 Å²	74.7	27%	0.268	36%	0.356	S	S	.	.			trans	67.7	10.4	-174	0	0	0	0	0	114.1	Q459 D500	Q459-G504 PolarHBondContact NE2-O 3.41Å; D500-G504 VanDerWaalsContact O-CA 3.25Å; D500-G504 WeakPolarHBondContact O-CA 3.41Å; D500-G504 PolarHBondContact O-N 2.86Å
505	L	78.7	Confident	76.3	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	36%	0.364	C	S	.	.			trans	-89.7	157.5	-178.6	-64.2	172.5	0	0	0	111.2	L458 Q459 Y476 I478 K499 D500 T503	L458-L505 HydrophobicContact CB-CD1 4.03Å; L458-L505 HydrophobicContact CB-CD2 3.91Å; L458-L505 HydrophobicContact CD1-CD1 3.91Å; Q459-L505 HydrophobicContact CB-CD2 3.73Å; Q459-L505 HydrophobicContact CG-CD2 4.4Å; Y476-L505 HydrophobicContact CD2-CD1 4.25Å; Y476-L505 HydrophobicContact CE2-CB 3.87Å; Y476-L505 HydrophobicContact CE2-CD1 3.69Å; Y476-L505 HydrophobicContact CE2-CD2 4.48Å; Y476-L505 HydrophobicContact CE2-CG 4.22Å; I478-L505 HydrophobicContact CD1-CD1 3.6Å; K499-L505 WeakPolarHBondContact CA-O 3.29Å; D500-L505 WeakPolarHBondContact CB-O 3.26Å; D500-L505 PolarHBondContact N-O 2.84Å; T503-L505 PolarHBondContact O-N 3.2Å; T503-L505 WeakPolarHBondContact OG1-CB 3.28Å
506	K	76.1	Confident	77.8	Confident	126 Å²	126	71.5 Å²	71.5	55%	0.548	34%	0.344	S	S	.	.	S	Bend	trans	-68.7	-39.4	177	-165.8	-179.7	-179.3	178.6	0	113.2	E462 K508	E462-K506 WeakPolarHBondContact OE1-CB 3.26Å; E462-K506 WeakPolarHBondContact OE1-CD 3.43Å; K506-K508 PolarHBondContact O-N 3.48Å
507	Q	79.1	Confident	79.1	Confident	85 Å²	85	66.4 Å²	66.4	40%	0.397	32%	0.316	S	S	.	.	S	Bend	trans	-74.8	124.9	174.4	-163.2	90.7	-20.7	0	0	110	Y476 N477	Y476-Q507 HydrophobicContact CD2-CB 3.93Å; Y476-Q507 HydrophobicContact CE2-CB 3.42Å; Y476-Q507 VanDerWaalsContact CE2-CB 3.42Å; Y476-Q507 VanDerWaalsContact O-CG 3.29Å; Y476-Q507 WeakPolarHBondContact O-CG 3.45Å; N477-Q507 PolarHBondContact OD1-NE2 3.45Å; N477-Q507 VanDerWaalsContact OD1-NE2 3.12Å
508	K	80.4	Confident	80.2	Confident	68 Å²	68	66 Å²	66	30%	0.296	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-73.3	146.5	180	-63.6	177.7	-174.8	160.6	0	112.5	H495 E497 K506	H495-K508 VanDerWaalsContact O-CE 3.32Å; H495-K508 WeakPolarHBondContact O-CE 3.15Å; H495-K508 PolarHBondContact O-NZ 2.87Å; E497-K508 WeakPolarHBondContact O-CE 3.33Å; K506-K508 PolarHBondContact O-N 3.48Å
509	T	82.1	Confident	81.4	Confident	9 Å²	9	59.6 Å²	59.6	6%	0.055	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68.6	129.4	174.1	-60.9	0	0	0	0	110.7	I478 L480 D500	I478-T509 HydrophobicContact CG2-CG2 4.17Å; L480-T509 HydrophobicContact CB-CG2 3.99Å; D500-T509 PolarHBondContact OD1-N 3.33Å; D500-T509 PolarHBondContact OD1-OG1 3.39Å; D500-T509 PolarHBondContact OD2-OG1 2.85Å
510	Q	84.8	Confident	82.3	Confident	74 Å²	74	53.7 Å²	53.7	35%	0.346	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	145.4	178	-61.1	-176.5	23.8	0	0	111.3	I478 Y479 L480	I478-Q510 PolarHBondContact O-N 3.42Å; Y479-Q510 CarbonylContact C-O 3.59Å; Y479-Q510 VanDerWaalsContact CA-O 3.29Å; Y479-Q510 WeakPolarHBondContact CA-O 3.44Å; Y479-Q510 HydrophobicContact CD1-CB 3.74Å; Y479-Q510 HydrophobicContact CE1-CB 3.65Å; Y479-Q510 HydrophobicContact CE1-CG 4.34Å; Y479-Q510 HydrophobicContact CG-CB 4.4Å; Y479-Q510 PolarHBondContact OH-OE1 3.3Å; L480-Q510 PolarHBondContact N-O 3.33Å
511	Y	82.4	Confident	83.2	Confident	78 Å²	78	58 Å²	58	31%	0.306	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	141.8	-178.7	-61.8	-81.4	0	0	0	112.3	L480 W483 F491	L480-Y511 HydrophobicContact CB-CD1 4.41Å; L480-Y511 HydrophobicContact CB-CE1 4.45Å; L480-Y511 HydrophobicContact CD2-CD1 4.4Å; L480-Y511 HydrophobicContact CD2-CE1 3.98Å; W483-Y511 HydrophobicContact CB-CD1 3.84Å; W483-Y511 HydrophobicContact CB-CE1 4.46Å; W483-Y511 HydrophobicContact CD2-CD1 4.49Å; W483-Y511 HydrophobicContact CG-CD1 4.03Å; F491-Y511 HydrophobicContact CB-CE2 4.26Å; F491-Y511 WeakPolarHBondContact CB-OH 3.45Å; F491-Y511 AromaticContact CD2-CE1 3.77Å; F491-Y511 HydrophobicContact CD2-CE1 3.77Å; F491-Y511 AromaticContact CD2-CZ 3.48Å; F491-Y511 VanDerWaalsContact CD2-CZ 3.48Å; F491-Y511 WeakPolarHBondContact CD2-OH 3.27Å; F491-Y511 HydrophobicContact CE2-CE1 4.23Å; F491-Y511 AromaticContact CG-CZ 3.89Å; F491-Y511 WeakPolarHBondContact CG-OH 3.39Å
512	G	84.8	Confident	84.4	Confident	17 Å²	17	58 Å²	58	18%	0.175	28%	0.28	C	S	.	.	S	Bend	trans	85.2	-153.1	178.5	0	0	0	0	0	112.7	L480 T481	L480-G512 PolarHBondContact O-N 3.27Å; T481-G512 WeakPolarHBondContact CG2-O 3.28Å
513	R	86.6	Confident	85.5	Confident	220 Å²	220	56.1 Å²	56.1	83%	0.83	27%	0.27	S	S	*	.			trans	-101.3	141.5	-175	-63.7	-175.3	-176	-167.6	3.3	110.2	T481 N515	T481-R513 HydrophobicContact CG2-CG 4.46Å; R513-N515 PolarHBondContact O-N 2.98Å
514	P	89.9	Confident	86.4	Confident	9 Å²	9	56.4 Å²	56.4	6%	0.058	27%	0.274	C	S	.	.			trans	-57.3	137.9	173.4	-18.6	27.5	0	0	0	110.9	L444 Y479 W516	L444-P514 HydrophobicContact CD2-CG 3.8Å; L444-P514 HydrophobicContact CG-CG 4.33Å; Y479-P514 HydrophobicContact CD1-CB 4.4Å; Y479-P514 HydrophobicContact CD1-CG 3.76Å; Y479-P514 HydrophobicContact CD2-CG 3.65Å; Y479-P514 HydrophobicContact CE1-CB 3.92Å; Y479-P514 HydrophobicContact CE1-CG 3.77Å; Y479-P514 HydrophobicContact CE2-CB 4.05Å; Y479-P514 HydrophobicContact CE2-CG 3.63Å; Y479-P514 HydrophobicContact CG-CG 3.7Å; P514-W516 VanDerWaalsContact C-N 3.29Å; P514-W516 HydrophobicContact CB-CD2 4.02Å; P514-W516 HydrophobicContact CB-CE3 4.2Å; P514-W516 HydrophobicContact CB-CH2 4.12Å; P514-W516 HydrophobicContact CB-CZ2 3.95Å; P514-W516 HydrophobicContact CB-CZ3 4.24Å; P514-W516 HydrophobicContact CG-CH2 3.93Å; P514-W516 HydrophobicContact CG-CZ2 3.64Å; P514-W516 PolarHBondContact O-N 3.27Å
515	N	91.4	Very high	87.3	Confident	86 Å²	86	59.6 Å²	59.6	46%	0.46	29%	0.292	S	S	.	.			trans	-80	83.9	168	-172.7	-15.2	0	0	0	109.3	R513 D517 N518 E519	R513-N515 PolarHBondContact O-N 2.98Å; N515-D517 PolarHBondContact O-N 3.16Å; N515-D517 VanDerWaalsContact O-N 3.13Å; N515-D517 PolarHBondContact OD1-N 3.08Å; N515-N518 HydrophobicContact CB-CB 4.34Å; N515-N518 PolarHBondContact ND2-ND2 2.71Å; N515-N518 VanDerWaalsContact ND2-ND2 3.2Å; N515-N518 PolarHBondContact O-N 3.44Å; N515-N518 VanDerWaalsContact O-N 3.09Å; N515-E519 WeakPolarHBondContact O-CG 3.48Å; N515-E519 PolarHBondContact O-N 3Å
516	W	92.8	Very high	87.8	Confident	19 Å²	19	64.5 Å²	64.5	7%	0.072	32%	0.315	C	S	.	.	H	α-helix	trans	-56	-30.3	-176.6	-63.2	117.2	0	0	0	114	M405 V407 Y442 L444 P514 F520 L542 L546 Q549	M405-W516 HydrophobicContact SD-CZ3 4.48Å; V407-W516 HydrophobicContact CB-CH2 4.47Å; V407-W516 HydrophobicContact CG1-CH2 3.63Å; V407-W516 HydrophobicContact CG1-CZ2 4.01Å; V407-W516 HydrophobicContact CG2-CH2 3.94Å; V407-W516 HydrophobicContact CG2-CZ3 4.17Å; Y442-W516 HydrophobicContact CD1-CH2 4.13Å; Y442-W516 AromaticContact CD1-CZ3 3.94Å; Y442-W516 HydrophobicContact CD1-CZ3 3.94Å; Y442-W516 HydrophobicContact CD2-CZ3 4.27Å; Y442-W516 HydrophobicContact CE1-CZ3 4.3Å; Y442-W516 HydrophobicContact CG-CH2 4.02Å; Y442-W516 AromaticContact CG-CZ3 3.95Å; Y442-W516 HydrophobicContact CG-CZ3 3.95Å; L444-W516 HydrophobicContact CD1-CH2 4.25Å; L444-W516 HydrophobicContact CD1-CZ2 4.1Å; L444-W516 HydrophobicContact CD2-CZ2 4.21Å; P514-W516 VanDerWaalsContact C-N 3.29Å; P514-W516 HydrophobicContact CB-CD2 4.02Å; P514-W516 HydrophobicContact CB-CE3 4.2Å; P514-W516 HydrophobicContact CB-CH2 4.12Å; P514-W516 HydrophobicContact CB-CZ2 3.95Å; P514-W516 HydrophobicContact CB-CZ3 4.24Å; P514-W516 HydrophobicContact CG-CH2 3.93Å; P514-W516 HydrophobicContact CG-CZ2 3.64Å; P514-W516 PolarHBondContact O-N 3.27Å; W516-F520 HydrophobicContact CB-CD2 4.43Å; W516-F520 HydrophobicContact CB-CE2 4.47Å; W516-F520 HydrophobicContact CE3-CE2 4.21Å; W516-F520 WeakPolarHBondContact O-CB 3.43Å; W516-F520 WeakPolarHBondContact O-CD2 3.22Å; W516-F520 PolarHBondContact O-N 3.04Å; W516-L542 HydrophobicContact CZ2-CD1 3.98Å; W516-L546 HydrophobicContact CD2-CD2 3.5Å; W516-L546 HydrophobicContact CE3-CD2 3.68Å; W516-L546 HydrophobicContact CG-CD2 3.95Å; W516-L546 HydrophobicContact CH2-CD2 4.26Å; W516-L546 HydrophobicContact CZ2-CD2 4.1Å; W516-L546 HydrophobicContact CZ3-CD2 4.06Å; W516-Q549 HydrophobicContact CB-CG 4.05Å
517	D	90.1	Very high	88.5	Confident	51 Å²	51	60.3 Å²	60.3	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-65.6	-44.8	178	-175.1	56.5	0	0	0	111.2	N515 K521	N515-D517 PolarHBondContact O-N 3.16Å; N515-D517 VanDerWaalsContact O-N 3.13Å; N515-D517 PolarHBondContact OD1-N 3.08Å; D517-K521 WeakPolarHBondContact O-CB 3.33Å; D517-K521 WeakPolarHBondContact O-CD 3.05Å; D517-K521 VanDerWaalsContact O-CG 3.25Å; D517-K521 WeakPolarHBondContact O-CG 3.43Å; D517-K521 PolarHBondContact O-N 2.94Å; D517-K521 VanDerWaalsContact O-N 3.13Å; D517-K521 WeakPolarHBondContact OD1-CE 3.43Å; D517-K521 IonicContact OD1-NZ 3.68Å; D517-K521 PolarHBondContact OD1-NZ 3.46Å; D517-K521 WeakPolarHBondContact OD2-CE 3.24Å; D517-K521 IonicContact OD2-NZ 3.95Å; D517-K521 PolarHBondContact OD2-NZ 3.04Å
518	N	91.9	Very high	88.8	Confident	82 Å²	82	60.1 Å²	60.1	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-67.6	-43.9	176.6	-71.9	-2.1	0	0	0	111.7	N515 F520 K521 T522	N515-N518 HydrophobicContact CB-CB 4.34Å; N515-N518 PolarHBondContact ND2-ND2 2.71Å; N515-N518 VanDerWaalsContact ND2-ND2 3.2Å; N515-N518 PolarHBondContact O-N 3.44Å; N515-N518 VanDerWaalsContact O-N 3.09Å; N518-F520 PolarHBondContact O-N 3.09Å; N518-K521 PolarHBondContact O-N 2.87Å; N518-T522 WeakPolarHBondContact O-CB 3.45Å; N518-T522 PolarHBondContact O-N 3.35Å; N518-T522 PolarHBondContact O-OG1 3.5Å
519	E	92.7	Very high	89.1	Confident	44 Å²	44	62.4 Å²	62.4	21%	0.206	32%	0.319	C	S	.	.	H	α-helix	trans	-59.4	-47.1	179.5	-66.1	-58.3	134.8	0	0	111.5	Y442 N515 K521 T522 I523	Y442-E519 HydrophobicContact CE1-CG 4.08Å; Y442-E519 PolarHBondContact OH-OE2 3.44Å; N515-E519 WeakPolarHBondContact O-CG 3.48Å; N515-E519 PolarHBondContact O-N 3Å; E519-K521 PolarHBondContact O-N 2.74Å; E519-T522 PolarHBondContact O-N 3.22Å; E519-I523 WeakPolarHBondContact O-CB 3.39Å; E519-I523 VanDerWaalsContact O-CG1 3.27Å; E519-I523 WeakPolarHBondContact O-CG1 3.34Å; E519-I523 PolarHBondContact O-N 3.14Å
520	F	93.1	Very high	89.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-64.6	-39.9	178.3	-85.2	-109.8	0	0	0	112	M405 W516 N518 I523 A524 V534 L546 Q549 N553 F563	M405-F520 HydrophobicContact CE-CD2 4.38Å; M405-F520 HydrophobicContact CE-CE1 4.23Å; M405-F520 HydrophobicContact CE-CE2 3.42Å; M405-F520 VanDerWaalsContact CE-CE2 3.42Å; M405-F520 HydrophobicContact CE-CZ 3.33Å; M405-F520 HydrophobicContact SD-CE2 4.11Å; M405-F520 HydrophobicContact SD-CZ 4.38Å; W516-F520 HydrophobicContact CB-CD2 4.43Å; W516-F520 HydrophobicContact CB-CE2 4.47Å; W516-F520 HydrophobicContact CE3-CE2 4.21Å; W516-F520 WeakPolarHBondContact O-CB 3.43Å; W516-F520 WeakPolarHBondContact O-CD2 3.22Å; W516-F520 PolarHBondContact O-N 3.04Å; N518-F520 PolarHBondContact O-N 3.09Å; F520-I523 PolarHBondContact O-N 3.39Å; F520-A524 VanDerWaalsContact O-CB 3.23Å; F520-A524 WeakPolarHBondContact O-CB 3.45Å; F520-A524 PolarHBondContact O-N 3.43Å; F520-V534 HydrophobicContact CE1-CG2 4.12Å; F520-V534 HydrophobicContact CZ-CG1 4.46Å; F520-V534 HydrophobicContact CZ-CG2 4.27Å; F520-L546 HydrophobicContact CE2-CD2 3.89Å; F520-L546 HydrophobicContact CZ-CD2 4.2Å; F520-Q549 HydrophobicContact CD1-CB 4.47Å; F520-Q549 HydrophobicContact CD2-CB 4.22Å; F520-Q549 HydrophobicContact CE1-CB 4.32Å; F520-Q549 HydrophobicContact CE2-CB 4.01Å; F520-Q549 HydrophobicContact CG-CB 4.4Å; F520-Q549 HydrophobicContact CZ-CB 4.05Å; F520-N553 HydrophobicContact CB-CB 4Å; F520-N553 HydrophobicContact CD1-CB 4.23Å; F520-F563 HydrophobicContact CB-CZ 4.4Å; F520-F563 AromaticContact CD1-CD1 3.58Å; F520-F563 HydrophobicContact CD1-CD1 3.58Å; F520-F563 HydrophobicContact CD1-CD2 4.01Å; F520-F563 AromaticContact CD1-CE1 3.63Å; F520-F563 HydrophobicContact CD1-CE1 3.63Å; F520-F563 HydrophobicContact CD1-CE2 4.06Å; F520-F563 AromaticContact CD1-CG 3.77Å; F520-F563 HydrophobicContact CD1-CG 3.77Å; F520-F563 AromaticContact CD1-CZ 3.88Å; F520-F563 HydrophobicContact CD1-CZ 3.88Å; F520-F563 HydrophobicContact CE1-CB 4.18Å; F520-F563 AromaticContact CE1-CD1 3.61Å; F520-F563 HydrophobicContact CE1-CD1 3.61Å; F520-F563 HydrophobicContact CE1-CE1 4.07Å; F520-F563 AromaticContact CE1-CG 3.85Å; F520-F563 HydrophobicContact CE1-CG 3.85Å; F520-F563 HydrophobicContact CG-CE1 4.37Å; F520-F563 HydrophobicContact CG-CZ 4.47Å; F520-F563 WeakPolarHBondContact O-CZ 3.35Å
521	K	91	Very high	89.5	Confident	105 Å²	105	65.9 Å²	65.9	46%	0.457	33%	0.33	S	S	.	.	H	α-helix	trans	-63.9	-43.2	176.3	-75	170.2	-179.6	169.5	0	112.3	D517 N518 E519 A524 S525	D517-K521 WeakPolarHBondContact O-CB 3.33Å; D517-K521 WeakPolarHBondContact O-CD 3.05Å; D517-K521 VanDerWaalsContact O-CG 3.25Å; D517-K521 WeakPolarHBondContact O-CG 3.43Å; D517-K521 PolarHBondContact O-N 2.94Å; D517-K521 VanDerWaalsContact O-N 3.13Å; D517-K521 WeakPolarHBondContact OD1-CE 3.43Å; D517-K521 IonicContact OD1-NZ 3.68Å; D517-K521 PolarHBondContact OD1-NZ 3.46Å; D517-K521 WeakPolarHBondContact OD2-CE 3.24Å; D517-K521 IonicContact OD2-NZ 3.95Å; D517-K521 PolarHBondContact OD2-NZ 3.04Å; N518-K521 PolarHBondContact O-N 2.87Å; E519-K521 PolarHBondContact O-N 2.74Å; K521-A524 PolarHBondContact O-N 3.19Å; K521-S525 PolarHBondContact O-N 2.89Å; K521-S525 PolarHBondContact O-OG 2.87Å
522	T	92	Very high	90	Very high	65 Å²	65	62.2 Å²	62.2	40%	0.399	32%	0.316	S	S	.	.	H	α-helix	trans	-64.6	-44.5	176.9	-61.5	0	0	0	0	111.4	N518 E519 A524 S525 Q526	N518-T522 WeakPolarHBondContact O-CB 3.45Å; N518-T522 PolarHBondContact O-N 3.35Å; N518-T522 PolarHBondContact O-OG1 3.5Å; E519-T522 PolarHBondContact O-N 3.22Å; T522-A524 VanDerWaalsContact C-N 3.31Å; T522-A524 PolarHBondContact O-N 3.44Å; T522-S525 PolarHBondContact O-N 3.4Å; T522-S525 PolarHBondContact O-OG 3.45Å; T522-Q526 VanDerWaalsContact O-CG 3.3Å; T522-Q526 WeakPolarHBondContact O-CG 3.28Å; T522-Q526 PolarHBondContact O-N 3.33Å; T522-Q526 VanDerWaalsContact O-N 3.1Å
523	I	92.3	Very high	90.4	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-65.5	-38.8	177.2	-69	169.8	0	0	0	110.6	M405 Y440 E519 F520 Q526 H527 I532 F563	M405-I523 HydrophobicContact SD-CD1 4Å; Y440-I523 HydrophobicContact CD1-CD1 4.16Å; Y440-I523 HydrophobicContact CD1-CG1 4.23Å; Y440-I523 HydrophobicContact CD2-CD1 4.19Å; Y440-I523 HydrophobicContact CD2-CG1 4.36Å; Y440-I523 HydrophobicContact CE1-CG1 4.08Å; Y440-I523 HydrophobicContact CE2-CG1 4.23Å; Y440-I523 HydrophobicContact CE2-CG2 4.25Å; Y440-I523 HydrophobicContact CG-CD1 3.99Å; Y440-I523 HydrophobicContact CG-CG1 4.36Å; E519-I523 WeakPolarHBondContact O-CB 3.39Å; E519-I523 VanDerWaalsContact O-CG1 3.27Å; E519-I523 WeakPolarHBondContact O-CG1 3.34Å; E519-I523 PolarHBondContact O-N 3.14Å; F520-I523 PolarHBondContact O-N 3.39Å; I523-Q526 PolarHBondContact O-N 3.16Å; I523-H527 PolarHBondContact O-CD2 3.06Å; I523-H527 PolarHBondContact O-N 2.9Å; I523-H527 VanDerWaalsContact O-N 3.15Å; I523-I532 HydrophobicContact CG2-CD1 3.5Å; I523-I532 VanDerWaalsContact CG2-CD1 3.5Å; I523-I532 HydrophobicContact CG2-CG2 4.46Å; I523-F563 HydrophobicContact CB-CE1 4.49Å; I523-F563 HydrophobicContact CB-CZ 4.44Å; I523-F563 HydrophobicContact CG2-CE1 3.96Å; I523-F563 HydrophobicContact CG2-CZ 4.16Å
524	A	90	Very high	90.7	Very high	19 Å²	19	50.9 Å²	50.9	16%	0.157	27%	0.268	C	S	.	.	H	α-helix	trans	-64	-40.2	177.4	0	0	0	0	0	112.4	F520 K521 T522 V561 F563	F520-A524 VanDerWaalsContact O-CB 3.23Å; F520-A524 WeakPolarHBondContact O-CB 3.45Å; F520-A524 PolarHBondContact O-N 3.43Å; K521-A524 PolarHBondContact O-N 3.19Å; T522-A524 VanDerWaalsContact C-N 3.31Å; T522-A524 PolarHBondContact O-N 3.44Å; A524-V561 HydrophobicContact CB-CB 4.49Å; A524-V561 HydrophobicContact CB-CG1 4.26Å; A524-F563 HydrophobicContact CB-CE2 4Å; A524-F563 HydrophobicContact CB-CZ 4.06Å
525	S	90.5	Very high	90.9	Very high	92 Å²	92	50.5 Å²	50.5	64%	0.643	27%	0.265	S	S	*	.	H	α-helix	trans	-70.6	-32.3	177.9	68.4	0	0	0	0	112.8	K521 T522	K521-S525 PolarHBondContact O-N 2.89Å; K521-S525 PolarHBondContact O-OG 2.87Å; T522-S525 PolarHBondContact O-N 3.4Å; T522-S525 PolarHBondContact O-OG 3.45Å
526	Q	90.4	Very high	90.9	Very high	103 Å²	103	46.4 Å²	46.4	48%	0.481	24%	0.243	S	C	.	.	H	α-helix	trans	-73.9	-28.6	178.2	-73	176.6	3.1	0	0	113.4	Y440 T522 I523 P528	Y440-Q526 PolarHBondContact OH-OE1 3.5Å; T522-Q526 VanDerWaalsContact O-CG 3.3Å; T522-Q526 WeakPolarHBondContact O-CG 3.28Å; T522-Q526 PolarHBondContact O-N 3.33Å; T522-Q526 VanDerWaalsContact O-N 3.1Å; I523-Q526 PolarHBondContact O-N 3.16Å; Q526-P528 WeakPolarHBondContact O-CD 3.13Å
527	H	89.8	Confident	90.8	Very high	39 Å²	39	46 Å²	46	18%	0.181	24%	0.243	C	C	.	.	S	Bend	trans	-127.6	65.1	-173.2	-60.8	-77	0	0	0	112.9	V403 Y440 I523 T530 I532 V561	V403-H527 HydrophobicContact CG2-CB 4.38Å; Y440-H527 AromaticContact CE2-NE2 3.65Å; Y440-H527 AromaticContact CZ-NE2 3.69Å; Y440-H527 PolarHBondContact OH-NE2 3.44Å; I523-H527 PolarHBondContact O-CD2 3.06Å; I523-H527 PolarHBondContact O-N 2.9Å; I523-H527 VanDerWaalsContact O-N 3.15Å; H527-T530 HydrophobicContact CB-CG2 4.12Å; H527-T530 WeakPolarHBondContact CB-OG1 3.41Å; H527-T530 PolarHBondContact O-OG1 3.08Å; H527-I532 HydrophobicContact CB-CD1 4.19Å; H527-V561 WeakPolarHBondContact O-CG2 3.27Å
528	P	86.3	Confident	90.7	Very high	81 Å²	81	44.8 Å²	44.8	53%	0.526	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	147.8	180	28.2	-35.1	0	0	0	111.7	Q526 T530	Q526-P528 WeakPolarHBondContact O-CD 3.13Å; P528-T530 PolarHBondContact O-N 2.82Å
529	N	86.6	Confident	90.5	Very high	116 Å²	116	44.5 Å²	44.5	62%	0.62	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.5	20.6	179.1	-42.6	-23.9	0	0	0	115.2	R559	N529-R559 WeakPolarHBondContact CA-O 3.37Å; N529-R559 VanDerWaalsContact CG-O 3.27Å; N529-R559 PolarHBondContact OD1-O 3.21Å
530	T	87.4	Confident	90.2	Very high	23 Å²	23	45.7 Å²	45.7	14%	0.141	25%	0.251	C	S	.	.			trans	-107.8	155.8	-178.5	67.8	0	0	0	0	113.2	H527 P528 I532 V561 H562	H527-T530 HydrophobicContact CB-CG2 4.12Å; H527-T530 WeakPolarHBondContact CB-OG1 3.41Å; H527-T530 PolarHBondContact O-OG1 3.08Å; P528-T530 PolarHBondContact O-N 2.82Å; T530-I532 WeakPolarHBondContact OG1-CG1 3.33Å; T530-V561 WeakPolarHBondContact O-CA 3.3Å; T530-H562 PolarHBondContact O-N 3.14Å
531	R	88.6	Confident	90	Very high	133 Å²	133	49 Å²	49	50%	0.502	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	115	168.4	-68.6	-175.5	176.2	172.7	2.4	108.8	H562 I564	R531-H562 CarbonylContact C-O 3.58Å; R531-H562 WeakPolarHBondContact CA-O 2.91Å; R531-H562 HydrophobicContact CG-CB 4.34Å; R531-I564 HydrophobicContact CB-CD1 4.27Å
532	I	91.8	Very high	90	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.1	-174.3	-52.5	-174	0	0	0	108.6	V403 I523 H527 T530 V561 H562 F563 I564	V403-I532 HydrophobicContact CB-CG1 4.27Å; V403-I532 HydrophobicContact CB-CG2 4.38Å; V403-I532 HydrophobicContact CG1-CG2 4.13Å; V403-I532 WeakPolarHBondContact O-CA 3.01Å; I523-I532 HydrophobicContact CG2-CD1 3.5Å; I523-I532 VanDerWaalsContact CG2-CD1 3.5Å; I523-I532 HydrophobicContact CG2-CG2 4.46Å; H527-I532 HydrophobicContact CB-CD1 4.19Å; T530-I532 WeakPolarHBondContact OG1-CG1 3.33Å; I532-V561 HydrophobicContact CD1-CG1 3.81Å; I532-V561 HydrophobicContact CG1-CG1 4.26Å; I532-H562 PolarHBondContact N-O 2.78Å; I532-F563 HydrophobicContact CB-CD1 3.89Å; I532-F563 HydrophobicContact CB-CE1 4.07Å; I532-F563 HydrophobicContact CD1-CD1 4.45Å; I532-F563 HydrophobicContact CD1-CE1 3.8Å; I532-F563 HydrophobicContact CD1-CZ 3.98Å; I532-F563 HydrophobicContact CG1-CE1 4.46Å; I532-F563 HydrophobicContact CG2-CD1 3.98Å; I532-F563 HydrophobicContact CG2-CE1 3.99Å; I532-F563 WeakPolarHBondContact O-CA 3.41Å; I532-I564 PolarHBondContact O-N 3.28Å
533	G	92.3	Very high	89.9	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	116.3	178.2	0	0	0	0	0	110.6	V403 V404 M405	V403-G533 PolarHBondContact O-N 3.34Å; V404-G533 CarbonylContact C-O 3.58Å; V404-G533 VanDerWaalsContact CA-O 3.26Å; V404-G533 WeakPolarHBondContact CA-O 3.49Å; M405-G533 PolarHBondContact N-O 3.46Å
534	V	93.8	Very high	89.7	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	113.8	176.1	179.4	0	0	0	0	108.8	M405 F520 F563 I564 F565 N566	M405-V534 HydrophobicContact CB-CG2 4.26Å; M405-V534 HydrophobicContact CE-CB 4.17Å; M405-V534 HydrophobicContact CE-CG1 3.3Å; M405-V534 HydrophobicContact CE-CG2 3.87Å; M405-V534 CarbonylContact O-C 3.56Å; M405-V534 WeakPolarHBondContact O-CA 3.4Å; F520-V534 HydrophobicContact CE1-CG2 4.12Å; F520-V534 HydrophobicContact CZ-CG1 4.46Å; F520-V534 HydrophobicContact CZ-CG2 4.27Å; V534-F563 HydrophobicContact CG2-CB 4.25Å; V534-F563 HydrophobicContact CG2-CD1 3.85Å; V534-I564 PolarHBondContact N-O 3.32Å; V534-F565 HydrophobicContact CB-CD2 4.28Å; V534-F565 HydrophobicContact CG1-CD2 3.83Å; V534-F565 HydrophobicContact CG1-CE2 4.34Å; V534-N566 PolarHBondContact O-N 2.92Å
535	F	93.4	Very high	89.8	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.9	-179.2	-63.5	-91	0	0	0	109.9	A394 V398 Y401 V404 M405 L406 V407 F416 N566	A394-F535 WeakPolarHBondContact O-CE1 3.42Å; V398-F535 HydrophobicContact CB-CE2 4.4Å; V398-F535 HydrophobicContact CB-CZ 4.39Å; V398-F535 HydrophobicContact CG2-CD1 4.05Å; V398-F535 HydrophobicContact CG2-CD2 3.82Å; V398-F535 HydrophobicContact CG2-CE1 3.88Å; V398-F535 HydrophobicContact CG2-CE2 3.62Å; V398-F535 HydrophobicContact CG2-CG 4.02Å; V398-F535 HydrophobicContact CG2-CZ 3.65Å; Y401-F535 HydrophobicContact CD2-CE2 4.06Å; Y401-F535 AromaticContact CD2-CZ 3.94Å; Y401-F535 HydrophobicContact CD2-CZ 3.94Å; Y401-F535 HydrophobicContact CE2-CE2 4.12Å; Y401-F535 AromaticContact CE2-CZ 3.64Å; Y401-F535 HydrophobicContact CE2-CZ 3.64Å; V404-F535 HydrophobicContact CB-CD2 4.45Å; V404-F535 HydrophobicContact CB-CE2 4.4Å; V404-F535 HydrophobicContact CG1-CE2 4.02Å; M405-F535 PolarHBondContact O-N 2.84Å; L406-F535 HydrophobicContact CD2-CB 3.97Å; L406-F535 HydrophobicContact CD2-CD2 3.92Å; L406-F535 HydrophobicContact CD2-CG 4.22Å; V407-F535 PolarHBondContact N-O 2.71Å; F416-F535 HydrophobicContact CE1-CB 3.91Å; F416-F535 HydrophobicContact CZ-CB 4.21Å; F535-N566 WeakPolarHBondContact CA-O 3.14Å; F535-N566 HydrophobicContact CD1-CB 3.67Å; F535-N566 HydrophobicContact CE1-CB 3.79Å; F535-N566 HydrophobicContact CG-CB 4.41Å
536	L	92.6	Very high	89.9	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	130.5	176.8	172	69.9	0	0	0	111	V407 L542 A543 L546 F565 N566 E568	V407-L536 HydrophobicContact CB-CD1 4.02Å; V407-L536 HydrophobicContact CG1-CD1 3.91Å; V407-L536 WeakPolarHBondContact O-CA 3.35Å; V407-L536 WeakPolarHBondContact O-CD1 3.3Å; L536-L542 HydrophobicContact CD1-CD2 3.69Å; L536-L542 HydrophobicContact CD1-CG 3.97Å; L536-L542 HydrophobicContact CD2-CG 4.34Å; L536-A543 HydrophobicContact CD2-CB 3.42Å; L536-A543 VanDerWaalsContact CD2-CB 3.42Å; L536-A543 VanDerWaalsContact CD2-N 3.34Å; L536-L546 HydrophobicContact CB-CD1 4.12Å; L536-L546 HydrophobicContact CD1-CD1 3.88Å; L536-L546 HydrophobicContact CD2-CD1 4.13Å; L536-L546 HydrophobicContact CG-CD1 4.25Å; L536-F565 HydrophobicContact CB-CE2 3.91Å; L536-F565 HydrophobicContact CB-CZ 4.14Å; L536-F565 HydrophobicContact CD2-CE2 4.37Å; L536-F565 HydrophobicContact CD2-CZ 4.05Å; L536-N566 PolarHBondContact N-O 2.81Å; L536-E568 WeakPolarHBondContact O-CB 3.44Å; L536-E568 PolarHBondContact O-N 3.17Å
537	C	90.4	Very high	89.9	Confident	10 Å²	10	41.3 Å²	41.3	7%	0.068	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	102	160.5	176.7	0	0	0	0	110	V407 A409 G412 P415 F416 E568 F570	V407-C537 PolarHBondContact O-N 3.45Å; A409-C537 PolarHBondContact N-O 3.14Å; G412-C537 WeakPolarHBondContact CA-SG 3.42Å; G412-C537 WeakPolarHBondContact O-CB 3.43Å; G412-C537 PolarHBondContact O-SG 3.45Å; P415-C537 HydrophobicContact CG-CB 3.79Å; F416-C537 HydrophobicContact CE2-CB 4.06Å; F416-C537 HydrophobicContact CZ-CB 4.21Å; C537-E568 HydrophobicContact CB-CB 3.94Å; C537-E568 HydrophobicContact CB-CG 3.93Å; C537-F570 VanDerWaalsContact SG-CE2 3.58Å
538	G	88.6	Confident	89.9	Confident	27 Å²	27	46.3 Å²	46.3	28%	0.278	26%	0.257	S	S	.	.	S	Bend	trans	177.5	-169.6	-171.5	0	0	0	0	0	114.6
539	P	87.9	Confident	90.1	Very high	75 Å²	75	44.4 Å²	44.4	49%	0.487	24%	0.241	S	C	.	.			trans	-68.3	151.7	-174.2	27.6	-34.2	0	0	0	113.1	A541 L542 A543	P539-A541 VanDerWaalsContact C-N 3.28Å; P539-A541 PolarHBondContact O-N 3.39Å; P539-L542 HydrophobicContact CG-CB 4.05Å; P539-L542 WeakPolarHBondContact O-CB 3.45Å; P539-L542 PolarHBondContact O-N 2.76Å; P539-A543 PolarHBondContact O-N 3.34Å; P539-A543 VanDerWaalsContact O-N 3.15Å
540	E	85.4	Confident	90.2	Very high	70 Å²	70	38.9 Å²	38.9	33%	0.327	21%	0.211	S	C	.	.	H	α-helix	trans	-55	-40.2	-178.1	-163	68.9	-128.3	0	0	113.4	L542 A543 E544 K567	E540-L542 VanDerWaalsContact C-N 3.26Å; E540-L542 PolarHBondContact O-N 2.82Å; E540-A543 WeakPolarHBondContact O-CA 3.38Å; E540-A543 VanDerWaalsContact O-CB 3.3Å; E540-A543 WeakPolarHBondContact O-CB 3.2Å; E540-A543 PolarHBondContact O-N 3.27Å; E540-E544 PolarHBondContact O-N 2.81Å; E540-K567 IonicContact OE1-NZ 3.93Å; E540-K567 PolarHBondContact OE1-NZ 3.26Å; E540-K567 IonicContact OE2-NZ 3.36Å; E540-K567 PolarHBondContact OE2-NZ 3.12Å
541	A	88.8	Confident	90.1	Very high	70 Å²	70	40.3 Å²	40.3	58%	0.579	22%	0.218	S	C	*	.	H	α-helix	trans	-60.2	-38.8	179.8	0	0	0	0	0	111.8	P539 T545	P539-A541 VanDerWaalsContact C-N 3.28Å; P539-A541 PolarHBondContact O-N 3.39Å; A541-T545 PolarHBondContact O-N 3.38Å; A541-T545 PolarHBondContact O-OG1 2.91Å
542	L	90.5	Very high	90	Very high	24 Å²	24	37.5 Å²	37.5	13%	0.126	22%	0.218	C	C	.	.	H	α-helix	trans	-70.4	-35.5	175.2	-177.9	58.3	0	0	0	111.2	V407 A409 L444 W516 L536 P539 E540 T545 L546	V407-L542 HydrophobicContact CG1-CD2 4.21Å; A409-L542 HydrophobicContact CB-CD2 4.31Å; L444-L542 HydrophobicContact CD1-CD2 4.36Å; W516-L542 HydrophobicContact CZ2-CD1 3.98Å; L536-L542 HydrophobicContact CD1-CD2 3.69Å; L536-L542 HydrophobicContact CD1-CG 3.97Å; L536-L542 HydrophobicContact CD2-CG 4.34Å; P539-L542 HydrophobicContact CG-CB 4.05Å; P539-L542 WeakPolarHBondContact O-CB 3.45Å; P539-L542 PolarHBondContact O-N 2.76Å; E540-L542 VanDerWaalsContact C-N 3.26Å; E540-L542 PolarHBondContact O-N 2.82Å; L542-T545 PolarHBondContact O-N 3.43Å; L542-L546 HydrophobicContact CD1-CD1 4.27Å; L542-L546 HydrophobicContact CD1-CG 4.08Å; L542-L546 HydrophobicContact CG-CD1 4.13Å; L542-L546 HydrophobicContact CG-CG 4.36Å; L542-L546 WeakPolarHBondContact O-CG 3.28Å; L542-L546 PolarHBondContact O-N 3.02Å
543	A	89.9	Confident	89.8	Confident	4 Å²	4	38.8 Å²	38.8	3%	0.033	23%	0.225	C	C	.	.	H	α-helix	trans	-61.6	-44.1	175.1	0	0	0	0	0	112.3	L536 P539 E540 S547 F565 K567	L536-A543 HydrophobicContact CD2-CB 3.42Å; L536-A543 VanDerWaalsContact CD2-CB 3.42Å; L536-A543 VanDerWaalsContact CD2-N 3.34Å; P539-A543 PolarHBondContact O-N 3.34Å; P539-A543 VanDerWaalsContact O-N 3.15Å; E540-A543 WeakPolarHBondContact O-CA 3.38Å; E540-A543 VanDerWaalsContact O-CB 3.3Å; E540-A543 WeakPolarHBondContact O-CB 3.2Å; E540-A543 PolarHBondContact O-N 3.27Å; A543-S547 WeakPolarHBondContact O-CB 3.35Å; A543-S547 PolarHBondContact O-N 3.26Å; A543-F565 HydrophobicContact CB-CZ 4.09Å; A543-K567 HydrophobicContact CB-CD 3.8Å; A543-K567 HydrophobicContact CB-CG 4.26Å
544	E	89.3	Confident	89.4	Confident	102 Å²	102	39.1 Å²	39.1	48%	0.477	23%	0.228	S	C	.	.	H	α-helix	trans	-62.9	-41.8	176.2	-69.8	177.6	-162.9	0	0	111.7	E540 K548	E540-E544 PolarHBondContact O-N 2.81Å; E544-K548 WeakPolarHBondContact O-CB 3.38Å; E544-K548 VanDerWaalsContact O-CG 3.29Å; E544-K548 WeakPolarHBondContact O-CG 3Å; E544-K548 PolarHBondContact O-N 3.43Å; E544-K548 VanDerWaalsContact O-N 3.07Å
545	T	92	Very high	88.9	Confident	61 Å²	61	44.2 Å²	44.2	37%	0.374	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-53	176.2	-58.4	0	0	0	0	111.6	A541 L542 S547 K548 Q549	A541-T545 PolarHBondContact O-N 3.38Å; A541-T545 PolarHBondContact O-OG1 2.91Å; L542-T545 PolarHBondContact O-N 3.43Å; T545-S547 VanDerWaalsContact C-N 3.33Å; T545-S547 PolarHBondContact O-N 3.47Å; T545-K548 PolarHBondContact O-N 3.15Å; T545-Q549 HydrophobicContact CG2-CG 4.47Å; T545-Q549 WeakPolarHBondContact O-CG 3.37Å; T545-Q549 PolarHBondContact O-N 3.14Å
546	L	92.3	Very high	87.7	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65.3	-35.9	-178.6	-70	-179.1	0	0	0	112.5	M405 V407 W516 F520 L536 L542 Q549 S550 F565	M405-L546 HydrophobicContact CE-CD2 4.3Å; V407-L546 HydrophobicContact CB-CD1 4Å; V407-L546 HydrophobicContact CG1-CD1 3.99Å; V407-L546 HydrophobicContact CG2-CD1 3.95Å; W516-L546 HydrophobicContact CD2-CD2 3.5Å; W516-L546 HydrophobicContact CE3-CD2 3.68Å; W516-L546 HydrophobicContact CG-CD2 3.95Å; W516-L546 HydrophobicContact CH2-CD2 4.26Å; W516-L546 HydrophobicContact CZ2-CD2 4.1Å; W516-L546 HydrophobicContact CZ3-CD2 4.06Å; F520-L546 HydrophobicContact CE2-CD2 3.89Å; F520-L546 HydrophobicContact CZ-CD2 4.2Å; L536-L546 HydrophobicContact CB-CD1 4.12Å; L536-L546 HydrophobicContact CD1-CD1 3.88Å; L536-L546 HydrophobicContact CD2-CD1 4.13Å; L536-L546 HydrophobicContact CG-CD1 4.25Å; L542-L546 HydrophobicContact CD1-CD1 4.27Å; L542-L546 HydrophobicContact CD1-CG 4.08Å; L542-L546 HydrophobicContact CG-CD1 4.13Å; L542-L546 HydrophobicContact CG-CG 4.36Å; L542-L546 WeakPolarHBondContact O-CG 3.28Å; L542-L546 PolarHBondContact O-N 3.02Å; L546-Q549 PolarHBondContact O-N 3.3Å; L546-S550 WeakPolarHBondContact O-CB 3.38Å; L546-S550 PolarHBondContact O-N 3.36Å; L546-S550 PolarHBondContact O-OG 2.73Å; L546-F565 HydrophobicContact CB-CD2 4.11Å; L546-F565 HydrophobicContact CB-CE2 3.59Å; L546-F565 HydrophobicContact CB-CZ 4.32Å; L546-F565 HydrophobicContact CD1-CE2 4.39Å
547	S	90	Very high	86.5	Confident	33 Å²	33	49.3 Å²	49.3	23%	0.231	29%	0.292	C	S	.	.	H	α-helix	trans	-63.1	-43.6	174.6	-175.2	0	0	0	0	111.4	A543 T545 S550 I551	A543-S547 WeakPolarHBondContact O-CB 3.35Å; A543-S547 PolarHBondContact O-N 3.26Å; T545-S547 VanDerWaalsContact C-N 3.33Å; T545-S547 PolarHBondContact O-N 3.47Å; S547-S550 PolarHBondContact O-N 3.3Å; S547-I551 WeakPolarHBondContact O-CG1 3.04Å; S547-I551 PolarHBondContact O-N 3.04Å
548	K	89.8	Confident	85.3	Confident	144 Å²	144	55.1 Å²	55.1	63%	0.626	33%	0.33	S	S	*	.	H	α-helix	trans	-62.9	-47	175.9	-74.9	172.2	-177.7	175.3	0	111	E544 T545 S550 I551 S552	E544-K548 WeakPolarHBondContact O-CB 3.38Å; E544-K548 VanDerWaalsContact O-CG 3.29Å; E544-K548 WeakPolarHBondContact O-CG 3Å; E544-K548 PolarHBondContact O-N 3.43Å; E544-K548 VanDerWaalsContact O-N 3.07Å; T545-K548 PolarHBondContact O-N 3.15Å; K548-S550 VanDerWaalsContact C-N 3.32Å; K548-S550 PolarHBondContact O-N 3.2Å; K548-I551 PolarHBondContact O-N 3.21Å; K548-I551 VanDerWaalsContact O-N 3.14Å; K548-S552 PolarHBondContact O-N 2.98Å; K548-S552 PolarHBondContact O-OG 3.45Å
549	Q	90.5	Very high	84.4	Confident	41 Å²	41	63.5 Å²	63.5	19%	0.192	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-38	179.4	-69.5	-61.4	-16.9	0	0	112.8	W516 F520 T545 L546 I551 S552 N553	W516-Q549 HydrophobicContact CB-CG 4.05Å; F520-Q549 HydrophobicContact CD1-CB 4.47Å; F520-Q549 HydrophobicContact CD2-CB 4.22Å; F520-Q549 HydrophobicContact CE1-CB 4.32Å; F520-Q549 HydrophobicContact CE2-CB 4.01Å; F520-Q549 HydrophobicContact CG-CB 4.4Å; F520-Q549 HydrophobicContact CZ-CB 4.05Å; T545-Q549 HydrophobicContact CG2-CG 4.47Å; T545-Q549 WeakPolarHBondContact O-CG 3.37Å; T545-Q549 PolarHBondContact O-N 3.14Å; L546-Q549 PolarHBondContact O-N 3.3Å; Q549-I551 VanDerWaalsContact C-N 3.3Å; Q549-I551 PolarHBondContact O-N 2.68Å; Q549-S552 WeakPolarHBondContact CA-OG 3.46Å; Q549-S552 PolarHBondContact O-N 3.23Å; Q549-S552 PolarHBondContact O-OG 3.4Å; Q549-S552 VanDerWaalsContact O-OG 3.1Å; Q549-N553 WeakPolarHBondContact O-CB 3.26Å; Q549-N553 PolarHBondContact O-N 3.05Å; Q549-N553 PolarHBondContact O-ND2 2.78Å; Q549-N553 PolarHBondContact OE1-ND2 3.34Å
550	S	89	Confident	83.9	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-64	-36.5	175.9	-58.4	0	0	0	0	111.9	L546 S547 K548 S554	L546-S550 WeakPolarHBondContact O-CB 3.38Å; L546-S550 PolarHBondContact O-N 3.36Å; L546-S550 PolarHBondContact O-OG 2.73Å; S547-S550 PolarHBondContact O-N 3.3Å; K548-S550 VanDerWaalsContact C-N 3.32Å; K548-S550 PolarHBondContact O-N 3.2Å; S550-S554 WeakPolarHBondContact O-CB 3.19Å; S550-S554 PolarHBondContact O-N 3.18Å; S550-S554 PolarHBondContact O-OG 2.97Å
551	I	86.1	Confident	83.9	Confident	53 Å²	53	57 Å²	57	27%	0.272	32%	0.317	S	S	.	.	H	α-helix	trans	-76.4	-41.7	179.5	-65.2	165.9	0	0	0	111.3	N3 S547 K548 Q549	N3-I551 PolarHBondContact ND2-O 2.99Å; S547-I551 WeakPolarHBondContact O-CG1 3.04Å; S547-I551 PolarHBondContact O-N 3.04Å; K548-I551 PolarHBondContact O-N 3.21Å; K548-I551 VanDerWaalsContact O-N 3.14Å; Q549-I551 VanDerWaalsContact C-N 3.3Å; Q549-I551 PolarHBondContact O-N 2.68Å
552	S	86.6	Confident	83.9	Confident	74 Å²	74	54.2 Å²	54.2	52%	0.517	29%	0.292	S	S	.	.	H	α-helix	trans	-69.5	-37.7	-178	56	0	0	0	0	113	K548 Q549	K548-S552 PolarHBondContact O-N 2.98Å; K548-S552 PolarHBondContact O-OG 3.45Å; Q549-S552 WeakPolarHBondContact CA-OG 3.46Å; Q549-S552 PolarHBondContact O-N 3.23Å; Q549-S552 PolarHBondContact O-OG 3.4Å; Q549-S552 VanDerWaalsContact O-OG 3.1Å
553	N	85.9	Confident	83.9	Confident	27 Å²	27	53.1 Å²	53.1	14%	0.144	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	2.8	-178.2	-66.1	-75.9	0	0	0	113.7	F520 Q549 F563	F520-N553 HydrophobicContact CB-CB 4Å; F520-N553 HydrophobicContact CD1-CB 4.23Å; Q549-N553 WeakPolarHBondContact O-CB 3.26Å; Q549-N553 PolarHBondContact O-N 3.05Å; Q549-N553 PolarHBondContact O-ND2 2.78Å; Q549-N553 PolarHBondContact OE1-ND2 3.34Å; N553-F563 HydrophobicContact CB-CD2 4.18Å; N553-F563 HydrophobicContact CB-CE2 4.04Å; N553-F563 WeakPolarHBondContact O-CE2 3.3Å
554	S	84.8	Confident	83.8	Confident	7 Å²	7	53.5 Å²	53.5	5%	0.049	29%	0.288	C	S	.	.			trans	-81	149.2	169	-69.9	0	0	0	0	110.5	N3 S550 V561 F563	N3-S554 PolarHBondContact ND2-O 3.48Å; N3-S554 PolarHBondContact OD1-O 3.22Å; S550-S554 WeakPolarHBondContact O-CB 3.19Å; S550-S554 PolarHBondContact O-N 3.18Å; S550-S554 PolarHBondContact O-OG 2.97Å; S554-V561 CarbonylContact C-O 3.55Å; S554-V561 WeakPolarHBondContact CA-O 3.25Å; S554-F563 PolarHBondContact OG-N 3.25Å
555	E	82.9	Confident	83.8	Confident	107 Å²	107	50.1 Å²	50.1	50%	0.5	27%	0.272	S	S	.	.			trans	-99.7	154.1	174	-71.4	178.3	-168.3	0	0	111.6	N3 G560 V561 H562	N3-E555 PolarHBondContact OD1-O 3.31Å; N3-E555 VanDerWaalsContact OD1-O 3.1Å; E555-G560 WeakPolarHBondContact OE2-CA 3.39Å; E555-V561 PolarHBondContact N-O 3.48Å; E555-H562 PolarHBondContact O-CE1 3.38Å; E555-H562 PolarHBondContact O-ND1 2.93Å
556	S	67.6	Low	83.6	Confident	72 Å²	72	47.6 Å²	47.6	50%	0.503	26%	0.256	S	S	.	.	S	Bend	trans	-86.8	-17.4	-174.4	-74.8	0	0	0	0	113.8	G2 N3	G2-S556 PolarHBondContact N-OG 2.97Å; N3-S556 PolarHBondContact N-OG 2.79Å; N3-S556 WeakPolarHBondContact OD1-CA 3.42Å; N3-S556 WeakPolarHBondContact OD1-CB 3.39Å; N3-S556 PolarHBondContact OD1-N 3.34Å; N3-S556 PolarHBondContact OD1-OG 3.08Å
557	G	68.5	Low	83.2	Confident	34 Å²	34	49.8 Å²	49.8	35%	0.351	27%	0.265	S	S	.	.	S	Bend	trans	-79.6	151.5	-179.9	0	0	0	0	0	112.4	R559 G560 H562	G557-R559 PolarHBondContact O-N 2.03Å; G557-G560 PolarHBondContact O-N 2.83Å; G557-H562 PolarHBondContact O-CE1 3.21Å; G557-H562 PolarHBondContact O-NE2 3.5Å
558	P	64.1	Low	82.7	Confident	132 Å²	132	48.6 Å²	48.6	86%	0.857	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-15.5	178.3	26.9	-34.2	0	0	0	113.9
559	R	70.9	Confident	81.4	Confident	204 Å²	204	45.6 Å²	45.6	77%	0.77	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	7	171.7	-68.8	-174.8	-80.9	171.2	-4.6	112	N529 G557	N529-R559 WeakPolarHBondContact CA-O 3.37Å; N529-R559 VanDerWaalsContact CG-O 3.27Å; N529-R559 PolarHBondContact OD1-O 3.21Å; G557-R559 PolarHBondContact O-N 2.03Å
560	G	77.2	Confident	79.9	Confident	3 Å²	3	49.3 Å²	49.3	3%	0.031	26%	0.263	C	S	.	.	S	Bend	trans	-84	168.3	-179.7	0	0	0	0	0	113.2	E555 G557 H562	E555-G560 WeakPolarHBondContact OE2-CA 3.39Å; G557-G560 PolarHBondContact O-N 2.83Å; G560-H562 PolarHBondContact O-CD2 3.22Å
561	V	85.8	Confident	79.4	Confident	4 Å²	4	51.8 Å²	51.8	2%	0.024	28%	0.276	C	S	.	.			trans	-73.7	132.7	168.7	-177.6	0	0	0	0	109.4	A524 H527 T530 I532 S554 E555 F563	A524-V561 HydrophobicContact CB-CB 4.49Å; A524-V561 HydrophobicContact CB-CG1 4.26Å; H527-V561 WeakPolarHBondContact O-CG2 3.27Å; T530-V561 WeakPolarHBondContact O-CA 3.3Å; I532-V561 HydrophobicContact CD1-CG1 3.81Å; I532-V561 HydrophobicContact CG1-CG1 4.26Å; S554-V561 CarbonylContact C-O 3.55Å; S554-V561 WeakPolarHBondContact CA-O 3.25Å; E555-V561 PolarHBondContact N-O 3.48Å; V561-F563 HydrophobicContact CG1-CD2 4.28Å; V561-F563 HydrophobicContact CG1-CE2 3.79Å; V561-F563 HydrophobicContact CG1-CZ 4.19Å
562	H	87.8	Confident	79.1	Confident	13 Å²	13	51.7 Å²	51.7	6%	0.06	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	118.6	178.3	-55.9	-68.3	0	0	0	111.1	T530 R531 I532 E555 G557 G560	T530-H562 PolarHBondContact O-N 3.14Å; R531-H562 CarbonylContact C-O 3.58Å; R531-H562 WeakPolarHBondContact CA-O 2.91Å; R531-H562 HydrophobicContact CG-CB 4.34Å; I532-H562 PolarHBondContact N-O 2.78Å; E555-H562 PolarHBondContact O-CE1 3.38Å; E555-H562 PolarHBondContact O-ND1 2.93Å; G557-H562 PolarHBondContact O-CE1 3.21Å; G557-H562 PolarHBondContact O-NE2 3.5Å; G560-H562 PolarHBondContact O-CD2 3.22Å
563	F	90	Very high	78.7	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	121.1	172.1	-66.6	-89.4	0	0	0	110.1	N7 F520 I523 A524 I532 V534 N553 S554 V561	N7-F563 PolarHBondContact ND2-O 3.02Å; F520-F563 HydrophobicContact CB-CZ 4.4Å; F520-F563 AromaticContact CD1-CD1 3.58Å; F520-F563 HydrophobicContact CD1-CD1 3.58Å; F520-F563 HydrophobicContact CD1-CD2 4.01Å; F520-F563 AromaticContact CD1-CE1 3.63Å; F520-F563 HydrophobicContact CD1-CE1 3.63Å; F520-F563 HydrophobicContact CD1-CE2 4.06Å; F520-F563 AromaticContact CD1-CG 3.77Å; F520-F563 HydrophobicContact CD1-CG 3.77Å; F520-F563 AromaticContact CD1-CZ 3.88Å; F520-F563 HydrophobicContact CD1-CZ 3.88Å; F520-F563 HydrophobicContact CE1-CB 4.18Å; F520-F563 AromaticContact CE1-CD1 3.61Å; F520-F563 HydrophobicContact CE1-CD1 3.61Å; F520-F563 HydrophobicContact CE1-CE1 4.07Å; F520-F563 AromaticContact CE1-CG 3.85Å; F520-F563 HydrophobicContact CE1-CG 3.85Å; F520-F563 HydrophobicContact CG-CE1 4.37Å; F520-F563 HydrophobicContact CG-CZ 4.47Å; F520-F563 WeakPolarHBondContact O-CZ 3.35Å; I523-F563 HydrophobicContact CB-CE1 4.49Å; I523-F563 HydrophobicContact CB-CZ 4.44Å; I523-F563 HydrophobicContact CG2-CE1 3.96Å; I523-F563 HydrophobicContact CG2-CZ 4.16Å; A524-F563 HydrophobicContact CB-CE2 4Å; A524-F563 HydrophobicContact CB-CZ 4.06Å; I532-F563 HydrophobicContact CB-CD1 3.89Å; I532-F563 HydrophobicContact CB-CE1 4.07Å; I532-F563 HydrophobicContact CD1-CD1 4.45Å; I532-F563 HydrophobicContact CD1-CE1 3.8Å; I532-F563 HydrophobicContact CD1-CZ 3.98Å; I532-F563 HydrophobicContact CG1-CE1 4.46Å; I532-F563 HydrophobicContact CG2-CD1 3.98Å; I532-F563 HydrophobicContact CG2-CE1 3.99Å; I532-F563 WeakPolarHBondContact O-CA 3.41Å; V534-F563 HydrophobicContact CG2-CB 4.25Å; V534-F563 HydrophobicContact CG2-CD1 3.85Å; N553-F563 HydrophobicContact CB-CD2 4.18Å; N553-F563 HydrophobicContact CB-CE2 4.04Å; N553-F563 WeakPolarHBondContact O-CE2 3.3Å; S554-F563 PolarHBondContact OG-N 3.25Å; V561-F563 HydrophobicContact CG1-CD2 4.28Å; V561-F563 HydrophobicContact CG1-CE2 3.79Å; V561-F563 HydrophobicContact CG1-CZ 4.19Å
564	I	88.3	Confident	78.3	Confident	13 Å²	13	51.9 Å²	51.9	7%	0.067	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	104.6	-179.3	-64.3	172.6	0	0	0	108.4	Y401 R531 I532 V534 N566	Y401-I564 HydrophobicContact CE1-CB 4.09Å; Y401-I564 HydrophobicContact CE1-CD1 3.84Å; Y401-I564 HydrophobicContact CE1-CG1 4.48Å; Y401-I564 HydrophobicContact CE1-CG2 4.42Å; Y401-I564 WeakPolarHBondContact OH-CG2 3.32Å; R531-I564 HydrophobicContact CB-CD1 4.27Å; I532-I564 PolarHBondContact O-N 3.28Å; V534-I564 PolarHBondContact N-O 3.32Å; I564-N566 PolarHBondContact O-ND2 3.15Å
565	F	89.8	Confident	77.9	Confident	31 Å²	31	54.7 Å²	54.7	14%	0.136	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	126.8	-179.4	-175.2	-111.1	0	0	0	112.1	V534 L536 A543 L546 K567	V534-F565 HydrophobicContact CB-CD2 4.28Å; V534-F565 HydrophobicContact CG1-CD2 3.83Å; V534-F565 HydrophobicContact CG1-CE2 4.34Å; L536-F565 HydrophobicContact CB-CE2 3.91Å; L536-F565 HydrophobicContact CB-CZ 4.14Å; L536-F565 HydrophobicContact CD2-CE2 4.37Å; L536-F565 HydrophobicContact CD2-CZ 4.05Å; A543-F565 HydrophobicContact CB-CZ 4.09Å; L546-F565 HydrophobicContact CB-CD2 4.11Å; L546-F565 HydrophobicContact CB-CE2 3.59Å; L546-F565 HydrophobicContact CB-CZ 4.32Å; L546-F565 HydrophobicContact CD1-CE2 4.39Å; F565-K567 HydrophobicContact CE1-CB 3.93Å; F565-K567 HydrophobicContact CZ-CB 4.06Å
566	N	87.8	Confident	77.5	Confident	8 Å²	8	51.2 Å²	51.2	4%	0.043	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	125.3	177.3	-59.5	-64.5	0	0	0	108.6	A394 V534 F535 L536 I564	A394-N566 HydrophobicContact CB-CB 3.99Å; V534-N566 PolarHBondContact O-N 2.92Å; F535-N566 WeakPolarHBondContact CA-O 3.14Å; F535-N566 HydrophobicContact CD1-CB 3.67Å; F535-N566 HydrophobicContact CE1-CB 3.79Å; F535-N566 HydrophobicContact CG-CB 4.41Å; L536-N566 PolarHBondContact N-O 2.81Å; I564-N566 PolarHBondContact O-ND2 3.15Å
567	K	84.1	Confident	78.2	Confident	45 Å²	45	49.7 Å²	49.7	20%	0.196	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	129.9	-179.7	-173.2	-164.2	174	-168.1	0	109.5	E540 A543 F565 N569	E540-K567 IonicContact OE1-NZ 3.93Å; E540-K567 PolarHBondContact OE1-NZ 3.26Å; E540-K567 IonicContact OE2-NZ 3.36Å; E540-K567 PolarHBondContact OE2-NZ 3.12Å; A543-K567 HydrophobicContact CB-CD 3.8Å; A543-K567 HydrophobicContact CB-CG 4.26Å; F565-K567 HydrophobicContact CE1-CB 3.93Å; F565-K567 HydrophobicContact CZ-CB 4.06Å; K567-N569 PolarHBondContact O-ND2 2.71Å
568	E	78.7	Confident	79	Confident	9 Å²	9	50.9 Å²	50.9	4%	0.042	25%	0.245	C	C	.	.			trans	-69	127.5	167.9	-68	-54.2	140.6	0	0	110.6	T393 S395 L536 C537 F570	T393-E568 VanDerWaalsContact CB-OE2 3.24Å; T393-E568 WeakPolarHBondContact CB-OE2 3.38Å; S395-E568 WeakPolarHBondContact CA-OE1 3.37Å; S395-E568 WeakPolarHBondContact CB-OE1 3.37Å; S395-E568 PolarHBondContact N-OE1 3.34Å; S395-E568 VanDerWaalsContact OG-CD 3.24Å; S395-E568 PolarHBondContact OG-OE1 3.29Å; L536-E568 WeakPolarHBondContact O-CB 3.44Å; L536-E568 PolarHBondContact O-N 3.17Å; C537-E568 HydrophobicContact CB-CB 3.94Å; C537-E568 HydrophobicContact CB-CG 3.93Å; E568-F570 HydrophobicContact CB-CD2 4.35Å; E568-F570 HydrophobicContact CB-CE1 4.32Å; E568-F570 HydrophobicContact CB-CE2 3.58Å; E568-F570 HydrophobicContact CB-CZ 3.56Å; E568-F570 HydrophobicContact CG-CE2 4.18Å; E568-F570 HydrophobicContact CG-CZ 3.83Å; E568-F570 WeakPolarHBondContact OE2-CE1 3.49Å; E568-F570 VanDerWaalsContact OE2-CZ 3.24Å; E568-F570 WeakPolarHBondContact OE2-CZ 3.49Å
569	N	64.1	Low	80.2	Confident	81 Å²	81	44.2 Å²	44.2	43%	0.433	19%	0.194	S	C	.	.			trans	-118.2	96.9	179.6	-64.7	-57.1	0	0	0	108.4	K567	K567-N569 PolarHBondContact O-ND2 2.71Å
570	F	58.1	Low	81.1	Confident	119 Å²	119	29.6 Å²	29.6	52%	0.522	14%	0.141	S	C	.	.			trans	-108.9	0	170.9	-41.4	-59.5	0	0	0	110.2	Y324 T341 T393 C537 E568	Y324-F570 HydrophobicContact CD1-CD1 4.1Å; Y324-F570 HydrophobicContact CD1-CE1 4.12Å; Y324-F570 HydrophobicContact CG-CD1 4.17Å; Y324-F570 HydrophobicContact CG-CE1 4.41Å; T341-F570 HydrophobicContact CG2-CZ 4.45Å; T393-F570 HydrophobicContact CG2-CE1 3.81Å; C537-F570 VanDerWaalsContact SG-CE2 3.58Å; E568-F570 HydrophobicContact CB-CD2 4.35Å; E568-F570 HydrophobicContact CB-CE1 4.32Å; E568-F570 HydrophobicContact CB-CE2 3.58Å; E568-F570 HydrophobicContact CB-CZ 3.56Å; E568-F570 HydrophobicContact CG-CE2 4.18Å; E568-F570 HydrophobicContact CG-CZ 3.83Å; E568-F570 WeakPolarHBondContact OE2-CE1 3.49Å; E568-F570 VanDerWaalsContact OE2-CZ 3.24Å; E568-F570 WeakPolarHBondContact OE2-CZ 3.49Å

Retrieved 570 of 570 residues in 344.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).