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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 A0A093I7F4, Species STRCA (Struthio camelus australis), Gene n/a, Length 570 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.5	Very low	66.8	Low	208 Å²	208	59.8 Å²	59.8	100%	1.025	32%	0.32	S	S	*	.				0	-37	0	-76.1	-170.6	-151.1	0	0	112.9	N3 W4 V5	M1-N3 PolarHBondContact O-N 2.83Å; M1-W4 PolarHBondContact O-N 2.96Å; M1-V5 PolarHBondContact O-N 3.23Å
2	G	51.7	Low	68.4	Low	32 Å²	32	59 Å²	59	33%	0.33	32%	0.315	S	S	.	.	H	α-helix	trans	-55.3	-47.5	-179.8	0	0	0	0	0	115.3	W4 V5 E6	G2-W4 VanDerWaalsContact C-N 3.25Å; G2-W4 PolarHBondContact O-N 2.76Å; G2-V5 PolarHBondContact O-N 3.34Å; G2-V5 VanDerWaalsContact O-N 3.08Å; G2-E6 PolarHBondContact O-N 3.29Å; G2-E6 VanDerWaalsContact O-N 3.17Å
3	N	56.3	Low	70.1	Confident	25 Å²	25	64.5 Å²	64.5	13%	0.134	33%	0.334	C	S	.	.	H	α-helix	trans	-59.2	-35.5	-175.5	-43	8.6	0	0	0	113.5	M1 N7 I551 S554 E555 A556	M1-N3 PolarHBondContact O-N 2.83Å; N3-N7 PolarHBondContact O-N 2.72Å; N3-I551 PolarHBondContact ND2-O 2.83Å; N3-S554 PolarHBondContact ND2-O 3.16Å; N3-E555 PolarHBondContact OD1-O 3.07Å; N3-A556 WeakPolarHBondContact OD1-CA 3.11Å; N3-A556 PolarHBondContact OD1-N 3.43Å; N3-A556 VanDerWaalsContact OD1-N 3.1Å
4	W	63.2	Low	71.5	Confident	122 Å²	122	63.4 Å²	63.4	46%	0.462	33%	0.332	S	S	.	.	H	α-helix	trans	-76.1	-36.5	-179.2	179.3	88.6	0	0	0	111.2	M1 G2 E6 N7 E8 I12	M1-W4 PolarHBondContact O-N 2.96Å; G2-W4 VanDerWaalsContact C-N 3.25Å; G2-W4 PolarHBondContact O-N 2.76Å; W4-E6 VanDerWaalsContact C-N 3.31Å; W4-E6 PolarHBondContact O-N 2.94Å; W4-N7 PolarHBondContact O-N 3.35Å; W4-E8 HydrophobicContact CD2-CB 4.32Å; W4-E8 WeakPolarHBondContact O-CB 2.85Å; W4-E8 PolarHBondContact O-N 3.02Å; W4-I12 HydrophobicContact CH2-CD1 3.08Å; W4-I12 HydrophobicContact CH2-CG1 4.38Å; W4-I12 HydrophobicContact CH2-CG2 4.32Å; W4-I12 HydrophobicContact CZ2-CD1 2.91Å; W4-I12 HydrophobicContact CZ2-CG1 4.39Å; W4-I12 HydrophobicContact CZ3-CD1 3.95Å
5	V	66.6	Low	72.9	Confident	85 Å²	85	61 Å²	61	52%	0.515	32%	0.321	S	S	.	.	H	α-helix	trans	-65.1	-36.5	175.8	177.4	0	0	0	0	110.8	M1 G2 G9	M1-V5 PolarHBondContact O-N 3.23Å; G2-V5 PolarHBondContact O-N 3.34Å; G2-V5 VanDerWaalsContact O-N 3.08Å; V5-G9 WeakPolarHBondContact O-CA 2.79Å; V5-G9 PolarHBondContact O-N 3.42Å
6	E	65.1	Low	74.3	Confident	53 Å²	53	63.9 Å²	63.9	25%	0.248	34%	0.336	C	S	.	.	H	α-helix	trans	-66	-38.8	176.9	-68.8	-152.4	165.4	0	0	113.5	G2 W4 R92 H562	G2-E6 PolarHBondContact O-N 3.29Å; G2-E6 VanDerWaalsContact O-N 3.17Å; W4-E6 VanDerWaalsContact C-N 3.31Å; W4-E6 PolarHBondContact O-N 2.94Å; E6-R92 PolarHBondContact O-NH2 3.42Å; E6-H562 IonicContact OE2-CE1 3.89Å; E6-H562 IonicContact OE2-CG 2.88Å; E6-H562 IonicContact OE2-ND1 3.9Å; E6-H562 PolarHBondContact OE2-ND1 3.08Å
7	N	66.4	Low	75.5	Confident	6 Å²	6	64.1 Å²	64.1	3%	0.032	34%	0.34	C	S	.	.	H	α-helix	trans	-87.2	-36.6	-178	-81.3	-33.4	0	0	0	114.1	N3 W4 R92 F563	N3-N7 PolarHBondContact O-N 2.72Å; W4-N7 PolarHBondContact O-N 3.35Å; N7-R92 PolarHBondContact O-NH2 2.75Å; N7-R92 PolarHBondContact OD1-NH1 3.3Å; N7-F563 PolarHBondContact ND2-O 3.38Å
8	E	76.3	Confident	76.7	Confident	29 Å²	29	61.4 Å²	61.4	14%	0.136	33%	0.325	C	S	.	.	H	α-helix	trans	-118.5	-13.8	-169.9	-62.4	-63.9	146.1	0	0	113.6	W4 L10 S11 I12 R96	W4-E8 HydrophobicContact CD2-CB 4.32Å; W4-E8 WeakPolarHBondContact O-CB 2.85Å; W4-E8 PolarHBondContact O-N 3.02Å; E8-L10 PolarHBondContact O-N 3.46Å; E8-S11 WeakPolarHBondContact O-CB 3.38Å; E8-S11 PolarHBondContact O-N 3.19Å; E8-I12 HydrophobicContact CB-CD1 3.79Å; E8-I12 HydrophobicContact CB-CG1 4.39Å; E8-I12 WeakPolarHBondContact O-CG1 3.47Å; E8-I12 PolarHBondContact O-N 2.96Å; E8-R96 VanDerWaalsContact CD-NH2 3.31Å; E8-R96 IonicContact OE1-CZ 2.75Å; E8-R96 IonicContact OE1-NH1 3.01Å; E8-R96 IonicContact OE1-NH2 2.71Å; E8-R96 PolarHBondContact OE1-NH2 3.46Å; E8-R96 IonicContact OE2-CZ 3.83Å; E8-R96 IonicContact OE2-NH1 2.8Å; E8-R96 PolarHBondContact OE2-NH1 2.93Å; E8-R96 IonicContact OE2-NH2 3.99Å; E8-R96 PolarHBondContact OE2-NH2 2.86Å
9	G	80.3	Confident	77.8	Confident	18 Å²	18	61.8 Å²	61.8	19%	0.186	33%	0.326	C	S	.	.	H	α-helix	trans	-56.8	-49.1	-167	0	0	0	0	0	114.4	V5 S11 I12 F13	V5-G9 WeakPolarHBondContact O-CA 2.79Å; V5-G9 PolarHBondContact O-N 3.42Å; G9-S11 VanDerWaalsContact C-N 3.35Å; G9-S11 PolarHBondContact O-N 3.41Å; G9-I12 PolarHBondContact O-N 3.46Å; G9-F13 WeakPolarHBondContact O-CB 3.17Å; G9-F13 PolarHBondContact O-N 2.88Å
10	L	82.8	Confident	78.8	Confident	61 Å²	61	60.7 Å²	60.7	32%	0.319	33%	0.331	S	S	.	.	H	α-helix	trans	-64.5	-40.2	177.9	-178	62	0	0	0	111.9	E8 I12 F13 V14 R89 V90 Q93	E8-L10 PolarHBondContact O-N 3.46Å; L10-I12 VanDerWaalsContact C-N 3.31Å; L10-I12 PolarHBondContact O-N 3.01Å; L10-F13 PolarHBondContact O-N 3.21Å; L10-V14 HydrophobicContact CD1-CG2 4.41Å; L10-V14 VanDerWaalsContact O-CG2 3.31Å; L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 3.43Å; L10-R89 HydrophobicContact CD2-CB 4.49Å; L10-V90 HydrophobicContact CD2-CG2 4.21Å; L10-Q93 HydrophobicContact CD2-CB 3.96Å; L10-Q93 HydrophobicContact CD2-CG 4.42Å; L10-Q93 HydrophobicContact CG-CB 4.44Å; L10-Q93 HydrophobicContact CG-CG 4.45Å
11	S	82.8	Confident	79.7	Confident	19 Å²	19	61.3 Å²	61.3	13%	0.133	33%	0.333	C	S	.	.	H	α-helix	trans	-62.3	-42.7	179.1	-175.3	0	0	0	0	111.4	E8 G9 V14 V15 Q93 R96	E8-S11 WeakPolarHBondContact O-CB 3.38Å; E8-S11 PolarHBondContact O-N 3.19Å; G9-S11 VanDerWaalsContact C-N 3.35Å; G9-S11 PolarHBondContact O-N 3.41Å; S11-V14 PolarHBondContact O-N 3.07Å; S11-V15 VanDerWaalsContact O-CG2 3.3Å; S11-V15 WeakPolarHBondContact O-CG2 3.2Å; S11-V15 PolarHBondContact O-N 2.87Å; S11-Q93 PolarHBondContact OG-OE1 3.09Å; S11-R96 PolarHBondContact OG-NH1 3.15Å
12	I	86.2	Confident	82.3	Confident	50 Å²	50	51.6 Å²	51.6	26%	0.256	29%	0.285	S	S	.	.	H	α-helix	trans	-73	-40.6	-179.3	-68.3	174.6	0	0	0	110.6	W4 E8 G9 L10 V14 V15 L16	W4-I12 HydrophobicContact CH2-CD1 3.08Å; W4-I12 HydrophobicContact CH2-CG1 4.38Å; W4-I12 HydrophobicContact CH2-CG2 4.32Å; W4-I12 HydrophobicContact CZ2-CD1 2.91Å; W4-I12 HydrophobicContact CZ2-CG1 4.39Å; W4-I12 HydrophobicContact CZ3-CD1 3.95Å; E8-I12 HydrophobicContact CB-CD1 3.79Å; E8-I12 HydrophobicContact CB-CG1 4.39Å; E8-I12 WeakPolarHBondContact O-CG1 3.47Å; E8-I12 PolarHBondContact O-N 2.96Å; G9-I12 PolarHBondContact O-N 3.46Å; L10-I12 VanDerWaalsContact C-N 3.31Å; L10-I12 PolarHBondContact O-N 3.01Å; I12-V14 VanDerWaalsContact C-N 3.33Å; I12-V14 PolarHBondContact O-N 2.98Å; I12-V15 PolarHBondContact O-N 3.12Å; I12-L16 HydrophobicContact CG2-CD1 3.83Å; I12-L16 HydrophobicContact CG2-CG 4.08Å; I12-L16 WeakPolarHBondContact O-CB 3.32Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.2Å; I12-L16 PolarHBondContact O-N 2.89Å
13	F	90.2	Very high	84.5	Confident	130 Å²	130	55 Å²	55	57%	0.57	30%	0.299	S	S	*	.	H	α-helix	trans	-55.2	-48.7	172.6	176.6	-100.9	0	0	0	111.6	G9 L10 V15 L16 V17	G9-F13 WeakPolarHBondContact O-CB 3.17Å; G9-F13 PolarHBondContact O-N 2.88Å; L10-F13 PolarHBondContact O-N 3.21Å; F13-V15 VanDerWaalsContact C-N 3.33Å; F13-V15 PolarHBondContact O-N 2.98Å; F13-L16 PolarHBondContact O-N 3.47Å; F13-V17 HydrophobicContact CD1-CG2 4.36Å; F13-V17 HydrophobicContact CD2-CG2 4.35Å; F13-V17 HydrophobicContact CE1-CG2 3.95Å; F13-V17 HydrophobicContact CE2-CG2 3.93Å; F13-V17 HydrophobicContact CZ-CG2 3.71Å; F13-V17 VanDerWaalsContact O-CG2 3.32Å; F13-V17 WeakPolarHBondContact O-CG2 3.32Å; F13-V17 PolarHBondContact O-N 3.24Å
14	V	90.4	Very high	86.5	Confident	49 Å²	49	59.3 Å²	59.3	30%	0.297	32%	0.317	S	S	.	.	H	α-helix	trans	-59.8	-43.3	177	170.8	0	0	0	0	111.5	L10 S11 I12 W18 Q93	L10-V14 HydrophobicContact CD1-CG2 4.41Å; L10-V14 VanDerWaalsContact O-CG2 3.31Å; L10-V14 WeakPolarHBondContact O-CG2 3.41Å; L10-V14 PolarHBondContact O-N 3.43Å; S11-V14 PolarHBondContact O-N 3.07Å; I12-V14 VanDerWaalsContact C-N 3.33Å; I12-V14 PolarHBondContact O-N 2.98Å; V14-W18 WeakPolarHBondContact O-CB 3.38Å; V14-W18 PolarHBondContact O-N 3.43Å; V14-Q93 HydrophobicContact CG2-CG 4.4Å
15	V	92.4	Very high	88.2	Confident	28 Å²	28	54.5 Å²	54.5	17%	0.17	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-43.4	177.5	170.7	0	0	0	0	111.6	S11 I12 F13 W18 L19 M103	S11-V15 VanDerWaalsContact O-CG2 3.3Å; S11-V15 WeakPolarHBondContact O-CG2 3.2Å; S11-V15 PolarHBondContact O-N 2.87Å; I12-V15 PolarHBondContact O-N 3.12Å; F13-V15 VanDerWaalsContact C-N 3.33Å; F13-V15 PolarHBondContact O-N 2.98Å; V15-W18 HydrophobicContact CG1-CE3 4.42Å; V15-W18 PolarHBondContact O-N 2.9Å; V15-L19 HydrophobicContact CG1-CD1 3.95Å; V15-L19 HydrophobicContact CG1-CG 4.33Å; V15-L19 WeakPolarHBondContact O-CB 3.36Å; V15-L19 WeakPolarHBondContact O-CG 3.37Å; V15-L19 PolarHBondContact O-N 3.03Å; V15-M103 HydrophobicContact CG2-CE 3.72Å; V15-M103 HydrophobicContact CG2-SD 4.31Å
16	L	94.1	Very high	89.7	Confident	107 Å²	107	52.8 Å²	52.8	56%	0.56	29%	0.286	S	S	*	.	H	α-helix	trans	-64.7	-41.3	178.3	-72.4	175.9	0	0	0	111.7	I12 F13 L19 G20	I12-L16 HydrophobicContact CG2-CD1 3.83Å; I12-L16 HydrophobicContact CG2-CG 4.08Å; I12-L16 WeakPolarHBondContact O-CB 3.32Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.2Å; I12-L16 PolarHBondContact O-N 2.89Å; F13-L16 PolarHBondContact O-N 3.47Å; L16-L19 PolarHBondContact O-N 3.25Å; L16-G20 PolarHBondContact O-N 3.08Å
17	V	96	Very high	91.3	Very high	67 Å²	67	57.6 Å²	57.6	41%	0.406	30%	0.302	S	S	.	.	H	α-helix	trans	-62	-46.8	174	170.5	0	0	0	0	110.4	F13 L19 G20 L21	F13-V17 HydrophobicContact CD1-CG2 4.36Å; F13-V17 HydrophobicContact CD2-CG2 4.35Å; F13-V17 HydrophobicContact CE1-CG2 3.95Å; F13-V17 HydrophobicContact CE2-CG2 3.93Å; F13-V17 HydrophobicContact CZ-CG2 3.71Å; F13-V17 VanDerWaalsContact O-CG2 3.32Å; F13-V17 WeakPolarHBondContact O-CG2 3.32Å; F13-V17 PolarHBondContact O-N 3.24Å; V17-L19 PolarHBondContact O-N 3.5Å; V17-G20 PolarHBondContact O-N 3.44Å; V17-L21 HydrophobicContact CG1-CD1 4.14Å; V17-L21 WeakPolarHBondContact O-CG 3.41Å; V17-L21 PolarHBondContact O-N 2.6Å
18	W	97.3	Very high	92.8	Very high	17 Å²	17	64.7 Å²	64.7	6%	0.064	33%	0.328	C	S	.	.	H	α-helix	trans	-61.7	-42.4	177.1	166.5	73.1	0	0	0	112.8	V14 V15 L21 N22 F62 N63 F100 M103 V104 M107	V14-W18 WeakPolarHBondContact O-CB 3.38Å; V14-W18 PolarHBondContact O-N 3.43Å; V15-W18 HydrophobicContact CG1-CE3 4.42Å; V15-W18 PolarHBondContact O-N 2.9Å; W18-L21 PolarHBondContact O-N 3.25Å; W18-N22 PolarHBondContact NE1-ND2 3.2Å; W18-N22 VanDerWaalsContact NE1-ND2 3.19Å; W18-N22 PolarHBondContact O-N 3.24Å; W18-N22 VanDerWaalsContact O-N 3.1Å; W18-N22 PolarHBondContact O-ND2 3Å; W18-F62 AromaticContact CD1-CE1 3.7Å; W18-N63 PolarHBondContact NE1-OD1 3.2Å; W18-F100 HydrophobicContact CB-CE2 4.26Å; W18-F100 HydrophobicContact CB-CZ 4.48Å; W18-F100 HydrophobicContact CD2-CE2 4.04Å; W18-F100 HydrophobicContact CD2-CZ 4.44Å; W18-F100 HydrophobicContact CE3-CE2 4.42Å; W18-F100 AromaticContact CG-CE2 3.95Å; W18-F100 HydrophobicContact CG-CE2 3.95Å; W18-F100 HydrophobicContact CG-CZ 4.06Å; W18-M103 HydrophobicContact CH2-CB 4.21Å; W18-M103 HydrophobicContact CZ3-CB 4.35Å; W18-V104 HydrophobicContact CZ2-CG2 4.1Å; W18-M107 HydrophobicContact CH2-CB 3.89Å; W18-M107 HydrophobicContact CH2-CE 3.79Å; W18-M107 HydrophobicContact CH2-CG 4.3Å; W18-M107 HydrophobicContact CZ2-CB 3.61Å; W18-M107 HydrophobicContact CZ2-CE 4.11Å; W18-M107 HydrophobicContact CZ2-CG 3.85Å; W18-M107 HydrophobicContact CZ3-CE 4.42Å
19	L	97.4	Very high	93.8	Very high	68 Å²	68	66.1 Å²	66.1	36%	0.356	34%	0.335	S	S	.	.	H	α-helix	trans	-64.9	-44.7	174.6	-73.4	174.3	0	0	0	111.6	V15 L16 V17 L21 N22 V23 M107	V15-L19 HydrophobicContact CG1-CD1 3.95Å; V15-L19 HydrophobicContact CG1-CG 4.33Å; V15-L19 WeakPolarHBondContact O-CB 3.36Å; V15-L19 WeakPolarHBondContact O-CG 3.37Å; V15-L19 PolarHBondContact O-N 3.03Å; L16-L19 PolarHBondContact O-N 3.25Å; V17-L19 PolarHBondContact O-N 3.5Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 3.37Å; L19-N22 WeakPolarHBondContact O-CB 3.45Å; L19-N22 PolarHBondContact O-N 2.72Å; L19-N22 VanDerWaalsContact O-N 3.14Å; L19-V23 WeakPolarHBondContact O-CG2 3.39Å; L19-V23 PolarHBondContact O-N 3.29Å; L19-M107 HydrophobicContact CD2-CE 3.75Å
20	G	97.7	Very high	94.6	Very high	40 Å²	40	66.9 Å²	66.9	41%	0.412	33%	0.332	S	S	.	.	H	α-helix	trans	-58.7	-41.9	176.5	0	0	0	0	0	112.3	L16 V17 V23 F24	L16-G20 PolarHBondContact O-N 3.08Å; V17-G20 PolarHBondContact O-N 3.44Å; G20-V23 PolarHBondContact O-N 3.02Å; G20-F24 VanDerWaalsContact O-CB 3.26Å; G20-F24 WeakPolarHBondContact O-CB 3.45Å; G20-F24 PolarHBondContact O-N 3.02Å
21	L	97.8	Very high	95.3	Very high	73 Å²	73	66.5 Å²	66.5	38%	0.382	33%	0.33	S	S	.	.	H	α-helix	trans	-64	-39.7	174.3	-72.6	172.1	0	0	0	112.4	V17 W18 L19 F24 L25 F62	V17-L21 HydrophobicContact CG1-CD1 4.14Å; V17-L21 WeakPolarHBondContact O-CG 3.41Å; V17-L21 PolarHBondContact O-N 2.6Å; W18-L21 PolarHBondContact O-N 3.25Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 3.37Å; L21-F24 PolarHBondContact O-N 3Å; L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.93Å; L21-F62 HydrophobicContact CB-CE1 4.12Å; L21-F62 HydrophobicContact CB-CZ 4.02Å; L21-F62 HydrophobicContact CD1-CE2 4.49Å; L21-F62 HydrophobicContact CD1-CZ 3.91Å
22	N	98.3	Very high	95.9	Very high	5 Å²	5	67.2 Å²	67.2	3%	0.027	34%	0.337	C	S	.	.	H	α-helix	trans	-63.6	-45.5	174.9	-84.3	-80.2	0	0	0	112.1	W18 L19 L25 F26 C59 N63	W18-N22 PolarHBondContact NE1-ND2 3.2Å; W18-N22 VanDerWaalsContact NE1-ND2 3.19Å; W18-N22 PolarHBondContact O-N 3.24Å; W18-N22 VanDerWaalsContact O-N 3.1Å; W18-N22 PolarHBondContact O-ND2 3Å; L19-N22 WeakPolarHBondContact O-CB 3.45Å; L19-N22 PolarHBondContact O-N 2.72Å; L19-N22 VanDerWaalsContact O-N 3.14Å; N22-L25 PolarHBondContact O-N 3.4Å; N22-F26 VanDerWaalsContact O-CB 3.3Å; N22-F26 WeakPolarHBondContact O-CB 3.23Å; N22-F26 PolarHBondContact O-N 3.46Å; N22-C59 PolarHBondContact O-SG 2.9Å; N22-N63 PolarHBondContact OD1-ND2 3.09Å
23	V	98.1	Very high	96.4	Very high	102 Å²	102	65.8 Å²	65.8	62%	0.618	33%	0.329	S	S	*	.	H	α-helix	trans	-63.3	-45.5	177.2	173.1	0	0	0	0	110.7	L19 G20 F26 W27	L19-V23 WeakPolarHBondContact O-CG2 3.39Å; L19-V23 PolarHBondContact O-N 3.29Å; G20-V23 PolarHBondContact O-N 3.02Å; V23-F26 PolarHBondContact O-N 3.09Å; V23-W27 WeakPolarHBondContact O-CB 3.37Å; V23-W27 PolarHBondContact O-N 3.3Å
24	F	98.2	Very high	96.7	Very high	116 Å²	116	61.5 Å²	61.5	51%	0.509	31%	0.312	S	S	.	.	H	α-helix	trans	-58.4	-51.1	176.5	171.1	-100.9	0	0	0	111.6	G20 L21 F26 W27 W28	G20-F24 VanDerWaalsContact O-CB 3.26Å; G20-F24 WeakPolarHBondContact O-CB 3.45Å; G20-F24 PolarHBondContact O-N 3.02Å; L21-F24 PolarHBondContact O-N 3Å; F24-F26 VanDerWaalsContact C-N 3.35Å; F24-F26 PolarHBondContact O-N 3.42Å; F24-W27 PolarHBondContact O-N 3.27Å; F24-W28 HydrophobicContact CE2-CE3 4.36Å; F24-W28 HydrophobicContact CZ-CD2 4.44Å; F24-W28 HydrophobicContact CZ-CE3 4.24Å; F24-W28 WeakPolarHBondContact O-CB 3.44Å; F24-W28 PolarHBondContact O-N 2.99Å
25	L	97.9	Very high	96.9	Very high	21 Å²	21	64.7 Å²	64.7	11%	0.11	33%	0.326	C	S	.	.	H	α-helix	trans	-61.3	-43.8	178.8	-74.5	172.7	0	0	0	111.5	L21 N22 F29 F62	L21-L25 WeakPolarHBondContact O-CB 3.35Å; L21-L25 VanDerWaalsContact O-CG 3.23Å; L21-L25 WeakPolarHBondContact O-CG 3.44Å; L21-L25 PolarHBondContact O-N 2.93Å; N22-L25 PolarHBondContact O-N 3.4Å; L25-F29 HydrophobicContact CD2-CD2 4.49Å; L25-F29 HydrophobicContact CD2-CE2 4.19Å; L25-F29 WeakPolarHBondContact O-CB 3.32Å; L25-F29 WeakPolarHBondContact O-CD2 3.34Å; L25-F29 PolarHBondContact O-N 3.46Å; L25-F62 HydrophobicContact CD1-CB 3.66Å; L25-F62 HydrophobicContact CD1-CD1 3.94Å; L25-F62 HydrophobicContact CD1-CD2 4.17Å; L25-F62 HydrophobicContact CD1-CG 3.66Å
26	F	98.4	Very high	97	Very high	50 Å²	50	65.6 Å²	65.6	22%	0.219	33%	0.333	C	S	.	.	H	α-helix	trans	-57.9	-53.8	177.3	-175.7	-82.4	0	0	0	110.6	N22 V23 F24 F29 Y30 L52 A55 P56	N22-F26 VanDerWaalsContact O-CB 3.3Å; N22-F26 WeakPolarHBondContact O-CB 3.23Å; N22-F26 PolarHBondContact O-N 3.46Å; V23-F26 PolarHBondContact O-N 3.09Å; F24-F26 VanDerWaalsContact C-N 3.35Å; F24-F26 PolarHBondContact O-N 3.42Å; F26-F29 PolarHBondContact O-N 2.98Å; F26-Y30 HydrophobicContact CE1-CD2 4.4Å; F26-Y30 VanDerWaalsContact O-CB 3.23Å; F26-Y30 WeakPolarHBondContact O-CB 3.37Å; F26-Y30 PolarHBondContact O-N 3.11Å; F26-L52 HydrophobicContact CZ-CD2 4.18Å; F26-A55 HydrophobicContact CD1-CB 4.31Å; F26-A55 HydrophobicContact CD2-CB 3.81Å; F26-A55 HydrophobicContact CE1-CB 4.41Å; F26-A55 HydrophobicContact CE2-CB 3.95Å; F26-A55 HydrophobicContact CG-CB 4.01Å; F26-A55 HydrophobicContact CZ-CB 4.24Å; F26-A55 WeakPolarHBondContact O-CB 3.12Å; F26-P56 HydrophobicContact CD2-CG 4.46Å; F26-P56 HydrophobicContact CE2-CG 3.92Å
27	W	98.1	Very high	97	Very high	153 Å²	153	63.7 Å²	63.7	58%	0.58	33%	0.327	S	S	*	.	H	α-helix	trans	-65.8	-43.7	-176.9	-170.8	-107.7	0	0	0	112.2	V23 F24 F29 Y30 L31	V23-W27 WeakPolarHBondContact O-CB 3.37Å; V23-W27 PolarHBondContact O-N 3.3Å; F24-W27 PolarHBondContact O-N 3.27Å; W27-F29 PolarHBondContact O-N 3.06Å; W27-Y30 WeakPolarHBondContact O-CB 3.35Å; W27-Y30 PolarHBondContact O-N 2.92Å; W27-L31 HydrophobicContact CD2-CG 4.42Å; W27-L31 HydrophobicContact CZ2-CD1 4.31Å; W27-L31 HydrophobicContact CZ2-CD2 4.03Å; W27-L31 HydrophobicContact CZ2-CG 4.36Å; W27-L31 WeakPolarHBondContact O-CG 3.27Å; W27-L31 PolarHBondContact O-N 3.4Å
28	W	97.9	Very high	97	Very high	155 Å²	155	63.7 Å²	63.7	59%	0.587	32%	0.321	S	S	*	.	H	α-helix	trans	-57.4	-51	177.1	179.3	-92.8	0	0	0	111.7	F24 Y30 L31 A32	F24-W28 HydrophobicContact CE2-CE3 4.36Å; F24-W28 HydrophobicContact CZ-CD2 4.44Å; F24-W28 HydrophobicContact CZ-CE3 4.24Å; F24-W28 WeakPolarHBondContact O-CB 3.44Å; F24-W28 PolarHBondContact O-N 2.99Å; W28-Y30 VanDerWaalsContact C-N 3.34Å; W28-L31 PolarHBondContact O-N 3.43Å; W28-A32 VanDerWaalsContact O-CB 3.26Å; W28-A32 WeakPolarHBondContact O-CB 3Å; W28-A32 PolarHBondContact O-N 3.03Å
29	F	96.8	Very high	96.9	Very high	60 Å²	60	63.4 Å²	63.4	26%	0.263	32%	0.321	S	S	.	.	H	α-helix	trans	-72.3	-27.6	179.1	-84.3	-90.8	0	0	0	112.8	L25 F26 W27 Y33 A55 A58	L25-F29 HydrophobicContact CD2-CD2 4.49Å; L25-F29 HydrophobicContact CD2-CE2 4.19Å; L25-F29 WeakPolarHBondContact O-CB 3.32Å; L25-F29 WeakPolarHBondContact O-CD2 3.34Å; L25-F29 PolarHBondContact O-N 3.46Å; F26-F29 PolarHBondContact O-N 2.98Å; W27-F29 PolarHBondContact O-N 3.06Å; F29-Y33 HydrophobicContact CD1-CE2 4.1Å; F29-Y33 VanDerWaalsContact O-CD2 3.28Å; F29-Y33 WeakPolarHBondContact O-CD2 3.21Å; F29-Y33 PolarHBondContact O-N 2.83Å; F29-A55 HydrophobicContact CB-CB 4.3Å; F29-A58 HydrophobicContact CB-CB 4.17Å; F29-A58 HydrophobicContact CD1-CB 3.96Å; F29-A58 HydrophobicContact CD2-CB 3.35Å; F29-A58 HydrophobicContact CE1-CB 4.18Å; F29-A58 HydrophobicContact CE2-CB 3.6Å; F29-A58 HydrophobicContact CG-CB 3.55Å; F29-A58 HydrophobicContact CZ-CB 4.02Å
30	Y	97.9	Very high	96.9	Very high	34 Å²	34	62.8 Å²	62.8	13%	0.133	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-55.5	171.9	-174.2	-86.5	0	0	0	109.8	F26 W27 W28 A32 Y33 D34 A51 L52	F26-Y30 HydrophobicContact CE1-CD2 4.4Å; F26-Y30 VanDerWaalsContact O-CB 3.23Å; F26-Y30 WeakPolarHBondContact O-CB 3.37Å; F26-Y30 PolarHBondContact O-N 3.11Å; W27-Y30 WeakPolarHBondContact O-CB 3.35Å; W27-Y30 PolarHBondContact O-N 2.92Å; W28-Y30 VanDerWaalsContact C-N 3.34Å; Y30-A32 VanDerWaalsContact C-N 3.32Å; Y30-A32 PolarHBondContact O-N 3.49Å; Y30-Y33 PolarHBondContact O-N 3.3Å; Y30-D34 HydrophobicContact CD1-CB 4.27Å; Y30-D34 HydrophobicContact CE1-CB 4.08Å; Y30-D34 WeakPolarHBondContact O-CB 3.15Å; Y30-D34 PolarHBondContact O-N 2.87Å; Y30-A51 HydrophobicContact CD2-CB 3.64Å; Y30-A51 HydrophobicContact CE2-CB 3.73Å; Y30-A51 HydrophobicContact CG-CB 4.07Å; Y30-L52 HydrophobicContact CD2-CD2 4.18Å; Y30-L52 HydrophobicContact CE2-CD2 3.77Å; Y30-L52 HydrophobicContact CE2-CG 4Å
31	L	97.6	Very high	96.8	Very high	52 Å²	52	60.9 Å²	60.9	27%	0.272	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-37.3	179.2	-66.6	-173.1	0	0	0	112.6	W27 W28 Y33 D34 L35 P36	W27-L31 HydrophobicContact CD2-CG 4.42Å; W27-L31 HydrophobicContact CZ2-CD1 4.31Å; W27-L31 HydrophobicContact CZ2-CD2 4.03Å; W27-L31 HydrophobicContact CZ2-CG 4.36Å; W27-L31 WeakPolarHBondContact O-CG 3.27Å; W27-L31 PolarHBondContact O-N 3.4Å; W28-L31 PolarHBondContact O-N 3.43Å; L31-Y33 PolarHBondContact O-N 3.18Å; L31-D34 PolarHBondContact O-N 2.88Å; L31-L35 HydrophobicContact CB-CD1 4.14Å; L31-L35 HydrophobicContact CB-CG 4.47Å; L31-L35 HydrophobicContact CD1-CD1 4.46Å; L31-L35 HydrophobicContact CD2-CD1 3.93Å; L31-L35 HydrophobicContact CD2-CG 4.17Å; L31-L35 HydrophobicContact CG-CD1 4.41Å; L31-L35 WeakPolarHBondContact O-CB 3.24Å; L31-L35 PolarHBondContact O-N 2.8Å; L31-P36 VanDerWaalsContact O-CD 3.27Å; L31-P36 WeakPolarHBondContact O-CD 3.06Å
32	A	95.9	Very high	96.6	Very high	34 Å²	34	57.7 Å²	57.7	28%	0.281	28%	0.279	S	S	.	.	H	α-helix	trans	-62.6	-22.1	179.1	0	0	0	0	0	113.9	W28 Y30 P36	W28-A32 VanDerWaalsContact O-CB 3.26Å; W28-A32 WeakPolarHBondContact O-CB 3Å; W28-A32 PolarHBondContact O-N 3.03Å; Y30-A32 VanDerWaalsContact C-N 3.32Å; Y30-A32 PolarHBondContact O-N 3.49Å; A32-P36 WeakPolarHBondContact O-CD 3.43Å; A32-P36 WeakPolarHBondContact O-CG 3.08Å
33	Y	96.1	Very high	96.5	Very high	21 Å²	21	59.5 Å²	59.5	8%	0.082	29%	0.285	C	S	.	.	H	α-helix	trans	-106.8	-22.8	176	-75.5	-98.9	0	0	0	112.9	F29 Y30 L31 F39 R43 L50 R54 V228 N265	F29-Y33 HydrophobicContact CD1-CE2 4.1Å; F29-Y33 VanDerWaalsContact O-CD2 3.28Å; F29-Y33 WeakPolarHBondContact O-CD2 3.21Å; F29-Y33 PolarHBondContact O-N 2.83Å; Y30-Y33 PolarHBondContact O-N 3.3Å; L31-Y33 PolarHBondContact O-N 3.18Å; Y33-F39 HydrophobicContact CD1-CD1 4.07Å; Y33-F39 AromaticContact CD1-CD2 3.89Å; Y33-F39 HydrophobicContact CD1-CD2 3.89Å; Y33-F39 AromaticContact CD1-CE1 3.88Å; Y33-F39 HydrophobicContact CD1-CE1 3.88Å; Y33-F39 AromaticContact CD1-CE2 3.68Å; Y33-F39 HydrophobicContact CD1-CE2 3.68Å; Y33-F39 HydrophobicContact CD1-CG 4.08Å; Y33-F39 AromaticContact CD1-CZ 3.68Å; Y33-F39 HydrophobicContact CD1-CZ 3.68Å; Y33-F39 HydrophobicContact CE1-CD1 4.37Å; Y33-F39 HydrophobicContact CE1-CD2 4.48Å; Y33-F39 AromaticContact CE1-CE1 3.73Å; Y33-F39 HydrophobicContact CE1-CE1 3.73Å; Y33-F39 AromaticContact CE1-CE2 3.85Å; Y33-F39 HydrophobicContact CE1-CE2 3.85Å; Y33-F39 AromaticContact CE1-CZ 3.43Å; Y33-F39 HydrophobicContact CE1-CZ 3.43Å; Y33-F39 VanDerWaalsContact CE1-CZ 3.43Å; Y33-F39 HydrophobicContact CG-CD2 4.31Å; Y33-F39 HydrophobicContact CG-CE2 4.19Å; Y33-R43 PolarHBondContact O-NH1 3.46Å; Y33-L50 HydrophobicContact CD1-CD1 4.17Å; Y33-L50 HydrophobicContact CD1-CD2 4.31Å; Y33-L50 HydrophobicContact CD1-CG 4.19Å; Y33-R54 HydrophobicContact CD1-CB 4.33Å; Y33-R54 HydrophobicContact CD1-CG 3.72Å; Y33-R54 HydrophobicContact CD2-CB 3.79Å; Y33-R54 HydrophobicContact CD2-CG 4.1Å; Y33-R54 HydrophobicContact CE1-CB 4.35Å; Y33-R54 HydrophobicContact CE1-CG 3.65Å; Y33-R54 HydrophobicContact CE2-CB 3.83Å; Y33-R54 HydrophobicContact CE2-CG 4.06Å; Y33-R54 HydrophobicContact CG-CB 4.03Å; Y33-R54 HydrophobicContact CG-CG 3.92Å; Y33-R54 PolarHBondContact OH-NE 2.83Å; Y33-V228 HydrophobicContact CE1-CG1 3.93Å; Y33-N265 PolarHBondContact OH-ND2 2.64Å
34	D	95.8	Very high	96.3	Very high	40 Å²	40	57.4 Å²	57.4	21%	0.214	27%	0.273	C	S	.	.	H	α-helix	trans	-84.7	-37.9	-179.8	-159.8	57.3	0	0	0	113.3	Y30 L31 R43 A51	Y30-D34 HydrophobicContact CD1-CB 4.27Å; Y30-D34 HydrophobicContact CE1-CB 4.08Å; Y30-D34 WeakPolarHBondContact O-CB 3.15Å; Y30-D34 PolarHBondContact O-N 2.87Å; L31-D34 PolarHBondContact O-N 2.88Å; D34-R43 WeakPolarHBondContact O-CD 3.49Å; D34-R43 PolarHBondContact O-NE 3.47Å; D34-R43 VanDerWaalsContact O-NE 3.16Å; D34-R43 PolarHBondContact O-NH1 2.86Å; D34-R43 VanDerWaalsContact O-NH1 3.16Å; D34-A51 HydrophobicContact CB-CB 4.17Å
35	L	94.8	Very high	96.1	Very high	116 Å²	116	52.5 Å²	52.5	61%	0.607	25%	0.252	S	S	*	.	S	Bend	trans	-91	-50.2	-173	-59	179.3	0	0	0	114.8	L31	L31-L35 HydrophobicContact CB-CD1 4.14Å; L31-L35 HydrophobicContact CB-CG 4.47Å; L31-L35 HydrophobicContact CD1-CD1 4.46Å; L31-L35 HydrophobicContact CD2-CD1 3.93Å; L31-L35 HydrophobicContact CD2-CG 4.17Å; L31-L35 HydrophobicContact CG-CD1 4.41Å; L31-L35 WeakPolarHBondContact O-CB 3.24Å; L31-L35 PolarHBondContact O-N 2.8Å
36	P	94.7	Very high	96	Very high	47 Å²	47	52.2 Å²	52.2	31%	0.305	25%	0.25	S	S	.	.	S	Bend	trans	-62.8	148.2	-168.4	-27.2	37.6	0	0	0	114	L31 A32 K38 F39 R43	L31-P36 VanDerWaalsContact O-CD 3.27Å; L31-P36 WeakPolarHBondContact O-CD 3.06Å; A32-P36 WeakPolarHBondContact O-CD 3.43Å; A32-P36 WeakPolarHBondContact O-CG 3.08Å; P36-K38 PolarHBondContact O-N 3.47Å; P36-F39 PolarHBondContact O-N 3.13Å; P36-R43 PolarHBondContact O-NH1 2.88Å; P36-R43 PolarHBondContact O-NH2 3.36Å; P36-R43 VanDerWaalsContact O-NH2 3.08Å
37	P	94.6	Very high	95.7	Very high	66 Å²	66	51.2 Å²	51.2	43%	0.429	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-64.2	-25.6	179.6	25.7	-34.3	0	0	0	112.4	F39 F40 L236 P241	P37-F39 PolarHBondContact O-N 2.91Å; P37-F40 WeakPolarHBondContact O-CB 3.25Å; P37-F40 PolarHBondContact O-N 3.49Å; P37-L236 HydrophobicContact CB-CD2 3.99Å; P37-L236 HydrophobicContact CG-CD2 4.12Å; P37-P241 HydrophobicContact CB-CG 4.35Å
38	K	95.3	Very high	95.5	Very high	68 Å²	68	52.2 Å²	52.2	30%	0.296	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-47.9	-37.8	175.9	178.5	174.5	180	-179.3	0	114.5	P36 Q231 L236	P36-K38 PolarHBondContact O-N 3.47Å; K38-Q231 WeakPolarHBondContact CG-O 3.45Å; K38-Q231 PolarHBondContact O-N 3.33Å; K38-L236 HydrophobicContact CB-CD1 3.96Å; K38-L236 HydrophobicContact CG-CD1 4.33Å
39	F	96.3	Very high	95.4	Very high	11 Å²	11	45.1 Å²	45.1	5%	0.048	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-104.9	11.3	-177.6	-60.7	-70.6	0	0	0	112.6	Y33 P36 P37 Y41 T42 R43 L50	Y33-F39 HydrophobicContact CD1-CD1 4.07Å; Y33-F39 AromaticContact CD1-CD2 3.89Å; Y33-F39 HydrophobicContact CD1-CD2 3.89Å; Y33-F39 AromaticContact CD1-CE1 3.88Å; Y33-F39 HydrophobicContact CD1-CE1 3.88Å; Y33-F39 AromaticContact CD1-CE2 3.68Å; Y33-F39 HydrophobicContact CD1-CE2 3.68Å; Y33-F39 HydrophobicContact CD1-CG 4.08Å; Y33-F39 AromaticContact CD1-CZ 3.68Å; Y33-F39 HydrophobicContact CD1-CZ 3.68Å; Y33-F39 HydrophobicContact CE1-CD1 4.37Å; Y33-F39 HydrophobicContact CE1-CD2 4.48Å; Y33-F39 AromaticContact CE1-CE1 3.73Å; Y33-F39 HydrophobicContact CE1-CE1 3.73Å; Y33-F39 AromaticContact CE1-CE2 3.85Å; Y33-F39 HydrophobicContact CE1-CE2 3.85Å; Y33-F39 AromaticContact CE1-CZ 3.43Å; Y33-F39 HydrophobicContact CE1-CZ 3.43Å; Y33-F39 VanDerWaalsContact CE1-CZ 3.43Å; Y33-F39 HydrophobicContact CG-CD2 4.31Å; Y33-F39 HydrophobicContact CG-CE2 4.19Å; P36-F39 PolarHBondContact O-N 3.13Å; P37-F39 PolarHBondContact O-N 2.91Å; F39-Y41 PolarHBondContact O-N 3.49Å; F39-T42 CarbonylContact O-C 3.48Å; F39-T42 WeakPolarHBondContact O-CB 3.48Å; F39-T42 PolarHBondContact O-N 3.43Å; F39-T42 VanDerWaalsContact O-N 3.15Å; F39-R43 WeakPolarHBondContact O-CG 3.42Å; F39-R43 PolarHBondContact O-N 2.97Å; F39-L50 HydrophobicContact CB-CD2 4.01Å; F39-L50 HydrophobicContact CD1-CD2 4.43Å; F39-L50 HydrophobicContact CG-CD2 4.39Å
40	F	96.2	Very high	95.4	Very high	54 Å²	54	42.3 Å²	42.3	24%	0.237	22%	0.219	C	C	.	.	H	α-helix	trans	-53	-56.8	-179.2	-180	-86.5	0	0	0	111.6	P37 T42 R43 V44 P241 A245	P37-F40 WeakPolarHBondContact O-CB 3.25Å; P37-F40 PolarHBondContact O-N 3.49Å; F40-T42 VanDerWaalsContact C-N 3.3Å; F40-T42 PolarHBondContact O-N 3.09Å; F40-R43 WeakPolarHBondContact O-CB 3.26Å; F40-R43 PolarHBondContact O-N 3.27Å; F40-R43 VanDerWaalsContact O-N 3.07Å; F40-V44 HydrophobicContact CD1-CG2 4.25Å; F40-V44 HydrophobicContact CE1-CG2 3.94Å; F40-V44 PolarHBondContact O-N 3.37Å; F40-P241 HydrophobicContact CB-CB 3.8Å; F40-P241 HydrophobicContact CB-CG 4.26Å; F40-P241 HydrophobicContact CD1-CB 3.63Å; F40-P241 HydrophobicContact CD2-CB 4.41Å; F40-P241 HydrophobicContact CE1-CB 4.33Å; F40-P241 HydrophobicContact CG-CB 3.69Å; F40-A245 HydrophobicContact CE1-CB 3.7Å; F40-A245 HydrophobicContact CZ-CB 4.22Å
41	Y	95.7	Very high	95.3	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	21%	0.214	C	C	.	.	H	α-helix	trans	-65.6	-33	178.8	-67.5	-57.7	0	0	0	113	F39 R43 V44 L45 L137 L141 H239 P241 A245 W251 P260 F262	F39-Y41 PolarHBondContact O-N 3.49Å; Y41-R43 VanDerWaalsContact C-N 3.29Å; Y41-R43 PolarHBondContact O-N 3.19Å; Y41-V44 WeakPolarHBondContact O-CB 3.23Å; Y41-V44 PolarHBondContact O-N 3.11Å; Y41-L45 PolarHBondContact O-N 3.42Å; Y41-L137 HydrophobicContact CE1-CD1 4.34Å; Y41-L137 HydrophobicContact CE1-CD2 4.37Å; Y41-L141 HydrophobicContact CD1-CD1 3.76Å; Y41-L141 HydrophobicContact CD1-CD2 3.84Å; Y41-L141 HydrophobicContact CD1-CG 4.37Å; Y41-L141 HydrophobicContact CG-CD1 4.29Å; Y41-L141 HydrophobicContact CG-CD2 3.91Å; Y41-H239 AromaticContact CE2-CD2 3.67Å; Y41-H239 AromaticContact CE2-NE2 3.35Å; Y41-H239 VanDerWaalsContact CE2-NE2 3.35Å; Y41-H239 WeakPolarHBondContact CE2-NE2 3.33Å; Y41-H239 AromaticContact CZ-NE2 3.36Å; Y41-H239 PolarHBondContact OH-NE2 3.32Å; Y41-P241 HydrophobicContact CE2-CB 3.9Å; Y41-P241 HydrophobicContact CE2-CG 4.06Å; Y41-P241 WeakPolarHBondContact OH-CA 3.19Å; Y41-P241 PolarHBondContact OH-O 3.5Å; Y41-A245 HydrophobicContact CE1-CB 3.81Å; Y41-A245 PolarHBondContact OH-N 3.34Å; Y41-A245 VanDerWaalsContact OH-N 3.16Å; Y41-W251 HydrophobicContact CD1-CH2 4.37Å; Y41-W251 AromaticContact CE1-CH2 3.76Å; Y41-W251 HydrophobicContact CE1-CH2 3.76Å; Y41-W251 AromaticContact CE1-CZ2 3.92Å; Y41-W251 HydrophobicContact CE1-CZ2 3.92Å; Y41-W251 AromaticContact CZ-CH2 3.92Å; Y41-W251 AromaticContact CZ-CZ2 3.82Å; Y41-P260 HydrophobicContact CE2-CB 4.37Å; Y41-F262 HydrophobicContact CD2-CE1 4.22Å; Y41-F262 HydrophobicContact CD2-CZ 4.06Å; Y41-F262 HydrophobicContact CG-CE1 4.49Å; Y41-F262 HydrophobicContact CG-CZ 4.27Å
42	T	95.4	Very high	95.3	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-62.1	-39.4	172.9	-40.1	0	0	0	0	111.1	F39 F40 L45 L46 L50 L153 R229	F39-T42 CarbonylContact O-C 3.48Å; F39-T42 WeakPolarHBondContact O-CB 3.48Å; F39-T42 PolarHBondContact O-N 3.43Å; F39-T42 VanDerWaalsContact O-N 3.15Å; F40-T42 VanDerWaalsContact C-N 3.3Å; F40-T42 PolarHBondContact O-N 3.09Å; T42-L45 PolarHBondContact O-N 2.99Å; T42-L46 HydrophobicContact CG2-CD1 3.88Å; T42-L46 HydrophobicContact CG2-CG 4.37Å; T42-L46 VanDerWaalsContact O-CB 3.29Å; T42-L46 WeakPolarHBondContact O-CB 3.35Å; T42-L46 WeakPolarHBondContact O-CG 3.45Å; T42-L46 PolarHBondContact O-N 3.23Å; T42-L50 HydrophobicContact CG2-CD1 4.18Å; T42-L50 HydrophobicContact CG2-CD2 3.65Å; T42-L50 HydrophobicContact CG2-CG 4.48Å; T42-L153 HydrophobicContact CG2-CD1 4.26Å; T42-R229 VanDerWaalsContact CG2-O 3.29Å; T42-R229 WeakPolarHBondContact CG2-O 3.45Å; T42-R229 PolarHBondContact OG1-O 3.13Å
43	R	95.6	Very high	95.3	Very high	43 Å²	43	39.8 Å²	39.8	16%	0.162	20%	0.204	C	C	.	.	H	α-helix	trans	-72.3	-27.3	175.8	-68.9	-175.6	-58.6	-96.6	7.1	113	Y33 D34 P36 F39 F40 Y41 L45 G47 L50	Y33-R43 PolarHBondContact O-NH1 3.46Å; D34-R43 WeakPolarHBondContact O-CD 3.49Å; D34-R43 PolarHBondContact O-NE 3.47Å; D34-R43 VanDerWaalsContact O-NE 3.16Å; D34-R43 PolarHBondContact O-NH1 2.86Å; D34-R43 VanDerWaalsContact O-NH1 3.16Å; P36-R43 PolarHBondContact O-NH1 2.88Å; P36-R43 PolarHBondContact O-NH2 3.36Å; P36-R43 VanDerWaalsContact O-NH2 3.08Å; F39-R43 WeakPolarHBondContact O-CG 3.42Å; F39-R43 PolarHBondContact O-N 2.97Å; F40-R43 WeakPolarHBondContact O-CB 3.26Å; F40-R43 PolarHBondContact O-N 3.27Å; F40-R43 VanDerWaalsContact O-N 3.07Å; Y41-R43 VanDerWaalsContact C-N 3.29Å; Y41-R43 PolarHBondContact O-N 3.19Å; R43-L45 PolarHBondContact O-N 2.86Å; R43-G47 WeakPolarHBondContact O-CA 3.46Å; R43-G47 PolarHBondContact O-N 3.47Å; R43-L50 HydrophobicContact CG-CD2 4.03Å
44	V	94	Very high	95.3	Very high	59 Å²	59	41.8 Å²	41.8	36%	0.358	21%	0.211	S	C	.	.	H	α-helix	trans	-59.8	-39.6	170.1	174	0	0	0	0	110.3	F40 Y41 L137 L141	F40-V44 HydrophobicContact CD1-CG2 4.25Å; F40-V44 HydrophobicContact CE1-CG2 3.94Å; F40-V44 PolarHBondContact O-N 3.37Å; Y41-V44 WeakPolarHBondContact O-CB 3.23Å; Y41-V44 PolarHBondContact O-N 3.11Å; V44-L137 HydrophobicContact CG1-CD2 3.99Å; V44-L137 HydrophobicContact CG1-CG 4.15Å; V44-L137 HydrophobicContact CG2-CD2 4.22Å; V44-L141 HydrophobicContact CB-CD1 4.18Å; V44-L141 HydrophobicContact CG1-CD1 4.04Å
45	L	93.4	Very high	95.4	Very high	13 Å²	13	39.9 Å²	39.9	7%	0.068	20%	0.201	C	C	.	.	H	α-helix	trans	-81	-41.4	177.2	-63.5	-177.1	0	0	0	113.5	Y41 T42 R43 W125 A129 A138 L141 L153 N154	Y41-L45 PolarHBondContact O-N 3.42Å; T42-L45 PolarHBondContact O-N 2.99Å; R43-L45 PolarHBondContact O-N 2.86Å; L45-W125 WeakPolarHBondContact O-CB 3.22Å; L45-A129 HydrophobicContact CD2-CB 3.79Å; L45-A138 HydrophobicContact CD2-CB 3.85Å; L45-L141 HydrophobicContact CD1-CB 4.35Å; L45-L141 HydrophobicContact CD2-CB 4.21Å; L45-L141 HydrophobicContact CG-CB 4.44Å; L45-L153 HydrophobicContact CD1-CD2 3.6Å; L45-L153 HydrophobicContact CD1-CG 3.79Å; L45-L153 HydrophobicContact CG-CD2 4.23Å; L45-N154 HydrophobicContact CD1-CB 4.18Å
46	L	94.9	Very high	95.5	Very high	15 Å²	15	34.3 Å²	34.3	8%	0.079	17%	0.172	C	C	.	.	H	α-helix	trans	-111.3	0.6	-165	-57.8	-170.5	0	0	0	114.2	T42 A49 L50 N122 W125 S126	T42-L46 HydrophobicContact CG2-CD1 3.88Å; T42-L46 HydrophobicContact CG2-CG 4.37Å; T42-L46 VanDerWaalsContact O-CB 3.29Å; T42-L46 WeakPolarHBondContact O-CB 3.35Å; T42-L46 WeakPolarHBondContact O-CG 3.45Å; T42-L46 PolarHBondContact O-N 3.23Å; L46-A49 PolarHBondContact O-N 3.44Å; L46-L50 HydrophobicContact CB-CB 4.04Å; L46-L50 HydrophobicContact CD1-CB 4.4Å; L46-L50 HydrophobicContact CD1-CD1 4.22Å; L46-L50 PolarHBondContact O-N 3.09Å; L46-N122 WeakPolarHBondContact CB-OD1 3.4Å; L46-N122 HydrophobicContact CD1-CB 4.41Å; L46-N122 HydrophobicContact CD2-CB 4.15Å; L46-N122 WeakPolarHBondContact CD2-O 3.4Å; L46-W125 VanDerWaalsContact C-CE3 3.48Å; L46-W125 VanDerWaalsContact O-CE3 3.23Å; L46-W125 WeakPolarHBondContact O-CZ3 3.39Å; L46-S126 VanDerWaalsContact CD2-OG 3.28Å; L46-S126 WeakPolarHBondContact CD2-OG 3.44Å
47	G	93.4	Very high	95.6	Very high	29 Å²	29	32.7 Å²	32.7	30%	0.299	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	-141.7	-176.2	0	0	0	0	0	113.6	R43 A49	R43-G47 WeakPolarHBondContact O-CA 3.46Å; R43-G47 PolarHBondContact O-N 3.47Å; G47-A49 VanDerWaalsContact C-N 3.29Å; G47-A49 PolarHBondContact O-N 3.06Å
48	R	93.5	Very high	95.7	Very high	174 Å²	174	29.9 Å²	29.9	66%	0.657	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-12.4	176.1	-66.7	-175.4	176.3	177.2	0.3	113.6	L50 A51 L52	R48-L50 PolarHBondContact O-N 3.04Å; R48-A51 PolarHBondContact O-N 3.22Å; R48-L52 PolarHBondContact O-N 3.4Å; R48-L52 VanDerWaalsContact O-N 3.09Å
49	A	95.4	Very high	95.9	Very high	5 Å²	5	26.6 Å²	26.6	4%	0.041	13%	0.13	C	C	.	.	H	α-helix	trans	-67	-22.5	178.6	0	0	0	0	0	112	L46 G47 A53 F121 N122 W125	L46-A49 PolarHBondContact O-N 3.44Å; G47-A49 VanDerWaalsContact C-N 3.29Å; G47-A49 PolarHBondContact O-N 3.06Å; A49-A53 VanDerWaalsContact O-CB 3.25Å; A49-A53 WeakPolarHBondContact O-CB 3.42Å; A49-A53 PolarHBondContact O-N 3.5Å; A49-F121 HydrophobicContact CB-CB 3.88Å; A49-N122 WeakPolarHBondContact CB-OD1 3.39Å; A49-N122 PolarHBondContact O-ND2 3.04Å; A49-N122 VanDerWaalsContact O-ND2 3.13Å; A49-W125 HydrophobicContact CB-CE3 4.08Å; A49-W125 HydrophobicContact CB-CH2 4.09Å; A49-W125 HydrophobicContact CB-CZ3 3.38Å
50	L	95.9	Very high	95.9	Very high	1 Å²	1	26.8 Å²	26.8	1%	0.005	13%	0.132	C	C	.	.	H	α-helix	trans	-57.6	-59.5	168.7	174.4	62.8	0	0	0	110.9	Y33 F39 T42 R43 L46 R48 L52 A53 R54 N122 V228	Y33-L50 HydrophobicContact CD1-CD1 4.17Å; Y33-L50 HydrophobicContact CD1-CD2 4.31Å; Y33-L50 HydrophobicContact CD1-CG 4.19Å; F39-L50 HydrophobicContact CB-CD2 4.01Å; F39-L50 HydrophobicContact CD1-CD2 4.43Å; F39-L50 HydrophobicContact CG-CD2 4.39Å; T42-L50 HydrophobicContact CG2-CD1 4.18Å; T42-L50 HydrophobicContact CG2-CD2 3.65Å; T42-L50 HydrophobicContact CG2-CG 4.48Å; R43-L50 HydrophobicContact CG-CD2 4.03Å; L46-L50 HydrophobicContact CB-CB 4.04Å; L46-L50 HydrophobicContact CD1-CB 4.4Å; L46-L50 HydrophobicContact CD1-CD1 4.22Å; L46-L50 PolarHBondContact O-N 3.09Å; R48-L50 PolarHBondContact O-N 3.04Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.49Å; L50-A53 PolarHBondContact O-N 2.73Å; L50-A53 VanDerWaalsContact O-N 3.1Å; L50-R54 HydrophobicContact CD1-CG 4.13Å; L50-R54 VanDerWaalsContact O-CG 3.31Å; L50-R54 WeakPolarHBondContact O-CG 3.21Å; L50-R54 PolarHBondContact O-N 3.36Å; L50-R54 VanDerWaalsContact O-N 3.07Å; L50-N122 PolarHBondContact N-OD1 2.86Å; L50-V228 HydrophobicContact CD1-CG1 3.76Å
51	A	96.9	Very high	95.9	Very high	2 Å²	2	25 Å²	25	2%	0.017	13%	0.125	C	C	.	.	H	α-helix	trans	-62	-40.8	-178.3	0	0	0	0	0	111.4	Y30 D34 R48 A53 R54 A55	Y30-A51 HydrophobicContact CD2-CB 3.64Å; Y30-A51 HydrophobicContact CE2-CB 3.73Å; Y30-A51 HydrophobicContact CG-CB 4.07Å; D34-A51 HydrophobicContact CB-CB 4.17Å; R48-A51 PolarHBondContact O-N 3.22Å; A51-A53 VanDerWaalsContact C-N 3.26Å; A51-A53 PolarHBondContact O-N 3.32Å; A51-R54 PolarHBondContact O-N 3.06Å; A51-A55 WeakPolarHBondContact O-CB 3.42Å; A51-A55 PolarHBondContact O-N 3Å
52	L	96.5	Very high	96	Very high	65 Å²	65	25.9 Å²	25.9	34%	0.34	13%	0.128	S	C	.	.	H	α-helix	trans	-67.8	-19.2	175.8	-70.8	175.6	0	0	0	114.4	F26 Y30 R48 L50 P56 A118	F26-L52 HydrophobicContact CZ-CD2 4.18Å; Y30-L52 HydrophobicContact CD2-CD2 4.18Å; Y30-L52 HydrophobicContact CE2-CD2 3.77Å; Y30-L52 HydrophobicContact CE2-CG 4Å; R48-L52 PolarHBondContact O-N 3.4Å; R48-L52 VanDerWaalsContact O-N 3.09Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.49Å; L52-P56 WeakPolarHBondContact O-CD 3.49Å; L52-P56 WeakPolarHBondContact O-CG 3.38Å; L52-A118 HydrophobicContact CB-CB 3.94Å
53	A	96.5	Very high	96.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-84.3	-36.3	170.6	0	0	0	0	0	111.5	A49 L50 A51 A57 H115 A118 N122	A49-A53 VanDerWaalsContact O-CB 3.25Å; A49-A53 WeakPolarHBondContact O-CB 3.42Å; A49-A53 PolarHBondContact O-N 3.5Å; L50-A53 PolarHBondContact O-N 2.73Å; L50-A53 VanDerWaalsContact O-N 3.1Å; A51-A53 VanDerWaalsContact C-N 3.26Å; A51-A53 PolarHBondContact O-N 3.32Å; A53-A57 WeakPolarHBondContact O-CB 3.23Å; A53-A57 PolarHBondContact O-N 3.33Å; A53-H115 PolarHBondContact O-ND1 3.19Å; A53-A118 HydrophobicContact CB-CB 3.81Å; A53-N122 WeakPolarHBondContact CB-ND2 3.46Å
54	R	96.4	Very high	96.2	Very high	63 Å²	63	23.6 Å²	23.6	24%	0.238	12%	0.119	C	C	.	.	H	α-helix	trans	-81.7	-37.3	-174.3	-59.8	-49.9	-65.3	168.8	0.3	114	Y33 L50 A51 A57 A58	Y33-R54 HydrophobicContact CD1-CB 4.33Å; Y33-R54 HydrophobicContact CD1-CG 3.72Å; Y33-R54 HydrophobicContact CD2-CB 3.79Å; Y33-R54 HydrophobicContact CD2-CG 4.1Å; Y33-R54 HydrophobicContact CE1-CB 4.35Å; Y33-R54 HydrophobicContact CE1-CG 3.65Å; Y33-R54 HydrophobicContact CE2-CB 3.83Å; Y33-R54 HydrophobicContact CE2-CG 4.06Å; Y33-R54 HydrophobicContact CG-CB 4.03Å; Y33-R54 HydrophobicContact CG-CG 3.92Å; Y33-R54 PolarHBondContact OH-NE 2.83Å; L50-R54 HydrophobicContact CD1-CG 4.13Å; L50-R54 VanDerWaalsContact O-CG 3.31Å; L50-R54 WeakPolarHBondContact O-CG 3.21Å; L50-R54 PolarHBondContact O-N 3.36Å; L50-R54 VanDerWaalsContact O-N 3.07Å; A51-R54 PolarHBondContact O-N 3.06Å; R54-A57 WeakPolarHBondContact O-CB 3.37Å; R54-A57 PolarHBondContact O-N 3.44Å; R54-A58 PolarHBondContact O-N 2.83Å
55	A	97.6	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-53.3	177.9	0	0	0	0	0	112.5	F26 F29 A51 A57 A58 C59	F26-A55 HydrophobicContact CD1-CB 4.31Å; F26-A55 HydrophobicContact CD2-CB 3.81Å; F26-A55 HydrophobicContact CE1-CB 4.41Å; F26-A55 HydrophobicContact CE2-CB 3.95Å; F26-A55 HydrophobicContact CG-CB 4.01Å; F26-A55 HydrophobicContact CZ-CB 4.24Å; F26-A55 WeakPolarHBondContact O-CB 3.12Å; F29-A55 HydrophobicContact CB-CB 4.3Å; A51-A55 WeakPolarHBondContact O-CB 3.42Å; A51-A55 PolarHBondContact O-N 3Å; A55-A57 VanDerWaalsContact C-N 3.28Å; A55-A57 PolarHBondContact O-N 2.85Å; A55-A58 PolarHBondContact O-N 3.45Å; A55-C59 PolarHBondContact O-N 2.96Å; A55-C59 PolarHBondContact O-SG 2.88Å
56	P	97.8	Very high	96.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-60.7	-33.1	172.8	-23.7	33.5	0	0	0	113.8	F26 L52 A58 C59 L60 H111 I114 H115	F26-P56 HydrophobicContact CD2-CG 4.46Å; F26-P56 HydrophobicContact CE2-CG 3.92Å; L52-P56 WeakPolarHBondContact O-CD 3.49Å; L52-P56 WeakPolarHBondContact O-CG 3.38Å; P56-A58 VanDerWaalsContact C-N 3.28Å; P56-A58 PolarHBondContact O-N 2.88Å; P56-C59 CarbonylContact O-C 2.9Å; P56-C59 PolarHBondContact O-N 3.47Å; P56-L60 WeakPolarHBondContact O-CB 3.45Å; P56-L60 VanDerWaalsContact O-CG 3.28Å; P56-L60 WeakPolarHBondContact O-CG 3.47Å; P56-L60 PolarHBondContact O-N 3.5Å; P56-H111 HydrophobicContact CB-CB 4.01Å; P56-H111 WeakPolarHBondContact CB-O 3.44Å; P56-I114 HydrophobicContact CB-CB 4.45Å; P56-I114 HydrophobicContact CG-CB 3.94Å; P56-I114 HydrophobicContact CG-CG2 3.54Å; P56-H115 HydrophobicContact CB-CB 4Å
57	A	96.6	Very high	96.5	Very high	13 Å²	13	23.9 Å²	23.9	11%	0.107	12%	0.118	C	C	.	.	H	α-helix	trans	-61.9	-37.1	177.2	0	0	0	0	0	112.2	A53 R54 A55 N61	A53-A57 WeakPolarHBondContact O-CB 3.23Å; A53-A57 PolarHBondContact O-N 3.33Å; R54-A57 WeakPolarHBondContact O-CB 3.37Å; R54-A57 PolarHBondContact O-N 3.44Å; A55-A57 VanDerWaalsContact C-N 3.28Å; A55-A57 PolarHBondContact O-N 2.85Å; A57-N61 VanDerWaalsContact O-CG 3.31Å; A57-N61 PolarHBondContact O-N 3.49Å; A57-N61 PolarHBondContact O-ND2 2.98Å
58	A	96.6	Very high	96.5	Very high	6 Å²	6	23 Å²	23	5%	0.05	11%	0.106	C	C	.	.	H	α-helix	trans	-67.5	-44.6	173.7	0	0	0	0	0	111.6	F29 R54 A55 P56 L60 N61 F62	F29-A58 HydrophobicContact CB-CB 4.17Å; F29-A58 HydrophobicContact CD1-CB 3.96Å; F29-A58 HydrophobicContact CD2-CB 3.35Å; F29-A58 HydrophobicContact CE1-CB 4.18Å; F29-A58 HydrophobicContact CE2-CB 3.6Å; F29-A58 HydrophobicContact CG-CB 3.55Å; F29-A58 HydrophobicContact CZ-CB 4.02Å; R54-A58 PolarHBondContact O-N 2.83Å; A55-A58 PolarHBondContact O-N 3.45Å; P56-A58 VanDerWaalsContact C-N 3.28Å; P56-A58 PolarHBondContact O-N 2.88Å; A58-L60 VanDerWaalsContact C-N 3.33Å; A58-L60 PolarHBondContact O-N 3.38Å; A58-N61 PolarHBondContact O-N 3.21Å; A58-F62 PolarHBondContact O-N 3.08Å
59	C	98.1	Very high	96.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.7	-37.1	175.5	-57.9	0	0	0	0	112.2	N22 A55 P56 F62 N63 H111	N22-C59 PolarHBondContact O-SG 2.9Å; A55-C59 PolarHBondContact O-N 2.96Å; A55-C59 PolarHBondContact O-SG 2.88Å; P56-C59 CarbonylContact O-C 2.9Å; P56-C59 PolarHBondContact O-N 3.47Å; C59-F62 PolarHBondContact O-N 2.87Å; C59-N63 PolarHBondContact O-N 3.08Å; C59-N63 PolarHBondContact O-ND2 3.38Å; C59-H111 WeakPolarHBondContact CB-CD2 3.34Å; C59-H111 VanDerWaalsContact CB-NE2 3.3Å; C59-H111 WeakPolarHBondContact CB-NE2 3.37Å
60	L	97.4	Very high	96.3	Very high	14 Å²	14	17.5 Å²	17.5	7%	0.073	9%	0.09	C	C	.	.	H	α-helix	trans	-60.8	-48	173.5	-77.7	169.6	0	0	0	111	P56 A58 F62 N63 C64 I108 H111 T112 H115	P56-L60 WeakPolarHBondContact O-CB 3.45Å; P56-L60 VanDerWaalsContact O-CG 3.28Å; P56-L60 WeakPolarHBondContact O-CG 3.47Å; P56-L60 PolarHBondContact O-N 3.5Å; A58-L60 VanDerWaalsContact C-N 3.33Å; A58-L60 PolarHBondContact O-N 3.38Å; L60-F62 VanDerWaalsContact C-N 3.32Å; L60-F62 PolarHBondContact O-N 2.89Å; L60-N63 PolarHBondContact O-N 3.38Å; L60-C64 VanDerWaalsContact O-CB 3.23Å; L60-C64 WeakPolarHBondContact O-CB 3.27Å; L60-C64 PolarHBondContact O-N 3.09Å; L60-C64 PolarHBondContact O-SG 3.26Å; L60-I108 HydrophobicContact CD2-CB 4.38Å; L60-I108 HydrophobicContact CD2-CG2 3.92Å; L60-I108 WeakPolarHBondContact CD2-O 3.35Å; L60-H111 HydrophobicContact CD2-CB 3.87Å; L60-H111 HydrophobicContact CG-CB 3.78Å; L60-T112 WeakPolarHBondContact CD2-OG1 3.31Å; L60-H115 HydrophobicContact CD1-CB 4.01Å
61	N	96.6	Very high	96	Very high	17 Å²	17	19.2 Å²	19.2	9%	0.091	10%	0.1	C	C	.	.	H	α-helix	trans	-58.4	-44.5	176.5	-73.6	-26.1	0	0	0	111.9	A57 A58 M65 T269 W272	A57-N61 VanDerWaalsContact O-CG 3.31Å; A57-N61 PolarHBondContact O-N 3.49Å; A57-N61 PolarHBondContact O-ND2 2.98Å; A58-N61 PolarHBondContact O-N 3.21Å; N61-M65 WeakPolarHBondContact O-CB 3.31Å; N61-M65 PolarHBondContact O-N 3.41Å; N61-T269 WeakPolarHBondContact OD1-CG2 3.38Å; N61-T269 PolarHBondContact OD1-OG1 3.27Å; N61-W272 HydrophobicContact CB-CB 4.17Å; N61-W272 HydrophobicContact CB-CD2 4Å; N61-W272 HydrophobicContact CB-CG 3.73Å
62	F	97.6	Very high	95.7	Very high	19 Å²	19	19.2 Å²	19.2	8%	0.083	10%	0.099	C	C	.	.	H	α-helix	trans	-62.1	-47.8	177	173.7	-115.9	0	0	0	112.4	W18 L21 L25 A58 C59 L60 M65 L66 W272	W18-F62 AromaticContact CD1-CE1 3.7Å; L21-F62 HydrophobicContact CB-CE1 4.12Å; L21-F62 HydrophobicContact CB-CZ 4.02Å; L21-F62 HydrophobicContact CD1-CE2 4.49Å; L21-F62 HydrophobicContact CD1-CZ 3.91Å; L25-F62 HydrophobicContact CD1-CB 3.66Å; L25-F62 HydrophobicContact CD1-CD1 3.94Å; L25-F62 HydrophobicContact CD1-CD2 4.17Å; L25-F62 HydrophobicContact CD1-CG 3.66Å; A58-F62 PolarHBondContact O-N 3.08Å; C59-F62 PolarHBondContact O-N 2.87Å; L60-F62 VanDerWaalsContact C-N 3.32Å; L60-F62 PolarHBondContact O-N 2.89Å; F62-M65 HydrophobicContact CD2-CE 3.72Å; F62-M65 HydrophobicContact CE2-CE 3.89Å; F62-M65 WeakPolarHBondContact O-CB 3.46Å; F62-M65 PolarHBondContact O-N 2.81Å; F62-L66 HydrophobicContact CD1-CD1 4.43Å; F62-L66 HydrophobicContact CD2-CD1 4.44Å; F62-L66 HydrophobicContact CE1-CD1 3.86Å; F62-L66 HydrophobicContact CE2-CD1 3.87Å; F62-L66 HydrophobicContact CE2-CG 4.37Å; F62-L66 HydrophobicContact CZ-CD1 3.56Å; F62-L66 WeakPolarHBondContact O-CG 3.24Å; F62-L66 PolarHBondContact O-N 3.12Å; F62-W272 HydrophobicContact CB-CE3 4.47Å; F62-W272 HydrophobicContact CB-CZ3 4.13Å; F62-W272 HydrophobicContact CD2-CZ3 4.13Å
63	N	98.2	Very high	95.2	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-71.9	-34.8	-179.5	-71.8	-69.7	0	0	0	112.5	W18 N22 C59 L60 M65 L66 I67 V104 M107 I108	W18-N63 PolarHBondContact NE1-OD1 3.2Å; N22-N63 PolarHBondContact OD1-ND2 3.09Å; C59-N63 PolarHBondContact O-N 3.08Å; C59-N63 PolarHBondContact O-ND2 3.38Å; L60-N63 PolarHBondContact O-N 3.38Å; N63-M65 VanDerWaalsContact C-N 3.29Å; N63-M65 PolarHBondContact O-N 3.08Å; N63-L66 PolarHBondContact O-N 3.21Å; N63-L66 VanDerWaalsContact O-N 3.11Å; N63-I67 PolarHBondContact O-N 3.44Å; N63-V104 HydrophobicContact CB-CG1 3.8Å; N63-V104 VanDerWaalsContact O-CG1 3.31Å; N63-V104 WeakPolarHBondContact O-CG1 3.25Å; N63-M107 WeakPolarHBondContact ND2-CG 3.48Å; N63-I108 HydrophobicContact CB-CD1 4.18Å; N63-I108 HydrophobicContact CB-CG1 3.6Å
64	C	96.8	Very high	94.7	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-68.4	-28.2	173.9	-66.2	0	0	0	0	112.4	L60 L66 I67 F216 L219 V273	L60-C64 VanDerWaalsContact O-CB 3.23Å; L60-C64 WeakPolarHBondContact O-CB 3.27Å; L60-C64 PolarHBondContact O-N 3.09Å; L60-C64 PolarHBondContact O-SG 3.26Å; C64-L66 VanDerWaalsContact C-N 3.33Å; C64-I67 WeakPolarHBondContact O-CG2 3.44Å; C64-F216 HydrophobicContact CB-CE1 4.3Å; C64-L219 HydrophobicContact CB-CD2 3.83Å; C64-V273 HydrophobicContact CB-CG1 4.19Å
65	M	95.9	Very high	94.2	Very high	48 Å²	48	20.7 Å²	20.7	24%	0.236	11%	0.107	C	C	.	.	H	α-helix	trans	-64.1	-40.8	168.4	174.6	-170.2	78	0	0	110.9	N61 F62 N63 W272 P276	N61-M65 WeakPolarHBondContact O-CB 3.31Å; N61-M65 PolarHBondContact O-N 3.41Å; F62-M65 HydrophobicContact CD2-CE 3.72Å; F62-M65 HydrophobicContact CE2-CE 3.89Å; F62-M65 WeakPolarHBondContact O-CB 3.46Å; F62-M65 PolarHBondContact O-N 2.81Å; N63-M65 VanDerWaalsContact C-N 3.29Å; N63-M65 PolarHBondContact O-N 3.08Å; M65-W272 HydrophobicContact CB-CB 4.36Å; M65-W272 VanDerWaalsContact CG-O 3.28Å; M65-W272 WeakPolarHBondContact CG-O 2.98Å; M65-W272 HydrophobicContact SD-CE3 3.92Å; M65-P276 HydrophobicContact CB-CG 4.29Å; M65-P276 HydrophobicContact CG-CG 3.57Å; M65-P276 WeakPolarHBondContact O-CB 3.24Å; M65-P276 WeakPolarHBondContact O-CG 3.28Å
66	L	96	Very high	93.6	Very high	29 Å²	29	21.8 Å²	21.8	15%	0.152	11%	0.113	C	C	.	.	H	α-helix	trans	-79.9	-32.8	-175.9	-64.6	178	0	0	0	114	F62 N63 C64 L68 L69 P70 F100	F62-L66 HydrophobicContact CD1-CD1 4.43Å; F62-L66 HydrophobicContact CD2-CD1 4.44Å; F62-L66 HydrophobicContact CE1-CD1 3.86Å; F62-L66 HydrophobicContact CE2-CD1 3.87Å; F62-L66 HydrophobicContact CE2-CG 4.37Å; F62-L66 HydrophobicContact CZ-CD1 3.56Å; F62-L66 WeakPolarHBondContact O-CG 3.24Å; F62-L66 PolarHBondContact O-N 3.12Å; N63-L66 PolarHBondContact O-N 3.21Å; N63-L66 VanDerWaalsContact O-N 3.11Å; C64-L66 VanDerWaalsContact C-N 3.33Å; L66-L68 PolarHBondContact O-N 3.33Å; L66-L68 VanDerWaalsContact O-N 3.07Å; L66-L69 HydrophobicContact CD2-CD1 4.23Å; L66-L69 PolarHBondContact O-N 2.91Å; L66-L69 VanDerWaalsContact O-N 3.09Å; L66-P70 WeakPolarHBondContact O-CD 3.35Å; L66-F100 HydrophobicContact CD1-CZ 4.48Å
67	I	96.6	Very high	92.7	Very high	16 Å²	16	23.6 Å²	23.6	8%	0.082	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.3	-166.2	-166.4	65.2	0	0	0	115	N63 C64 H101 V104 A105 I108 F216	N63-I67 PolarHBondContact O-N 3.44Å; C64-I67 WeakPolarHBondContact O-CG2 3.44Å; I67-H101 WeakPolarHBondContact CD1-ND1 3.22Å; I67-H101 WeakPolarHBondContact CD1-O 3.46Å; I67-H101 PolarHBondContact O-ND1 3.07Å; I67-V104 HydrophobicContact CB-CG1 4.02Å; I67-V104 HydrophobicContact CD1-CB 3.8Å; I67-V104 HydrophobicContact CD1-CG1 3.72Å; I67-V104 HydrophobicContact CG1-CG1 4.43Å; 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 4.19Å; I67-I108 HydrophobicContact CG2-CD1 4.42Å; I67-F216 HydrophobicContact CG2-CE2 4.33Å; I67-F216 HydrophobicContact CG2-CZ 3.77Å
68	L	94.1	Very high	92	Very high	11 Å²	11	29.6 Å²	29.6	6%	0.058	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-27.8	-179.7	-64.1	179.1	0	0	0	113.2	L66 V71 C72 F216 M277	L66-L68 PolarHBondContact O-N 3.33Å; L66-L68 VanDerWaalsContact O-N 3.07Å; L68-V71 WeakPolarHBondContact O-CG2 3.32Å; L68-V71 PolarHBondContact O-N 2.63Å; L68-C72 PolarHBondContact O-SG 2.79Å; L68-F216 HydrophobicContact CD1-CE1 4.21Å; L68-F216 HydrophobicContact CD1-CE2 4.11Å; L68-F216 HydrophobicContact CD1-CZ 3.79Å; L68-F216 HydrophobicContact CD2-CE2 3.89Å; L68-F216 HydrophobicContact CD2-CZ 4.14Å; L68-F216 HydrophobicContact CG-CE2 4.07Å; L68-F216 HydrophobicContact CG-CZ 3.79Å; L68-M277 HydrophobicContact CD1-CG 3.94Å
69	L	91.8	Very high	91.2	Very high	54 Å²	54	32.8 Å²	32.8	28%	0.283	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-63.9	-43.6	-174.7	-55.5	175.2	0	0	0	113	L66 V71 C72 P276 L279	L66-L69 HydrophobicContact CD2-CD1 4.23Å; L66-L69 PolarHBondContact O-N 2.91Å; L66-L69 VanDerWaalsContact O-N 3.09Å; L69-V71 PolarHBondContact O-N 2.95Å; L69-C72 WeakPolarHBondContact O-CB 3.33Å; L69-C72 PolarHBondContact O-N 3.49Å; L69-C72 VanDerWaalsContact O-N 3.12Å; L69-P276 HydrophobicContact CD2-CB 4.3Å; L69-L279 HydrophobicContact CD2-CD1 4.19Å
70	P	91.9	Very high	90.2	Very high	10 Å²	10	33.2 Å²	33.2	7%	0.065	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-69.9	-12.1	-179.2	-18	30.4	0	0	0	114.2	L66 L76 N97 F100 H101	L66-P70 WeakPolarHBondContact O-CD 3.35Å; P70-L76 VanDerWaalsContact O-CD1 3.25Å; P70-L76 WeakPolarHBondContact O-CD1 3.45Å; P70-N97 HydrophobicContact CB-CB 3.85Å; P70-N97 VanDerWaalsContact CB-O 3.24Å; P70-N97 WeakPolarHBondContact CB-O 3.34Å; P70-N97 WeakPolarHBondContact O-CB 3.49Å; P70-N97 PolarHBondContact O-OD1 3.23Å; P70-F100 HydrophobicContact CG-CD1 3.75Å; P70-F100 HydrophobicContact CG-CE1 4.38Å; P70-H101 HydrophobicContact CB-CB 4.1Å; P70-H101 HydrophobicContact CG-CB 4.44Å
71	V	91.1	Very high	88.6	Confident	37 Å²	37	35.8 Å²	35.8	22%	0.224	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-97.4	-2.9	175.6	-63.3	0	0	0	0	112.7	L68 L69 R73 L98 Y280	L68-V71 WeakPolarHBondContact O-CG2 3.32Å; L68-V71 PolarHBondContact O-N 2.63Å; L69-V71 PolarHBondContact O-N 2.95Å; V71-R73 VanDerWaalsContact C-N 3.31Å; V71-R73 PolarHBondContact O-N 2.82Å; V71-L98 HydrophobicContact CG1-CD2 4.36Å; V71-Y280 HydrophobicContact CG2-CE2 4.34Å
72	C	90.5	Very high	87.3	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	20%	0.202	C	C	.	.			trans	-76.6	72.6	177.8	-66.3	0	0	0	0	112.4	L68 L69 N74 L75 L76 E283	L68-C72 PolarHBondContact O-SG 2.79Å; L69-C72 WeakPolarHBondContact O-CB 3.33Å; L69-C72 PolarHBondContact O-N 3.49Å; L69-C72 VanDerWaalsContact O-N 3.12Å; C72-N74 VanDerWaalsContact C-N 3.31Å; C72-N74 PolarHBondContact O-N 2.88Å; C72-L75 HydrophobicContact CB-CB 3.85Å; C72-L75 HydrophobicContact CB-CD2 4.25Å; C72-L75 WeakPolarHBondContact O-CB 3.44Å; C72-L75 PolarHBondContact O-N 3.17Å; C72-L76 WeakPolarHBondContact O-CG 3.49Å; C72-L76 PolarHBondContact O-N 3Å; C72-E283 VanDerWaalsContact CA-CD 3.45Å; C72-E283 VanDerWaalsContact CA-OE2 3.28Å; C72-E283 WeakPolarHBondContact CA-OE2 3.18Å; C72-E283 HydrophobicContact CB-CG 4.33Å; C72-E283 PolarHBondContact SG-OE2 3.23Å; C72-E283 VanDerWaalsContact SG-OE2 3.36Å
73	R	85.7	Confident	84.9	Confident	73 Å²	73	40.6 Å²	40.6	28%	0.275	23%	0.233	S	C	.	.	H	α-helix	trans	-58	-37.1	-170.3	-60.5	-175.1	178.6	113.4	4.4	114.4	V71 L76 S77 E283 F326 F391	V71-R73 VanDerWaalsContact C-N 3.31Å; V71-R73 PolarHBondContact O-N 2.82Å; R73-L76 PolarHBondContact O-N 3.36Å; R73-S77 WeakPolarHBondContact O-CB 3.16Å; R73-S77 PolarHBondContact O-N 3.34Å; R73-S77 PolarHBondContact O-OG 3.29Å; R73-E283 PolarHBondContact N-OE1 3.37Å; R73-F326 VanDerWaalsContact NH1-CZ 3.28Å; R73-F391 HydrophobicContact CB-CD1 3.63Å; R73-F391 HydrophobicContact CB-CE1 3.59Å; R73-F391 HydrophobicContact CB-CZ 4.47Å
74	N	85.4	Confident	82.5	Confident	24 Å²	24	45.2 Å²	45.2	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-66.5	-43	176.9	-73.5	-46.3	0	0	0	111.5	C72 S77 F78 E283 R287 R290 F391	C72-N74 VanDerWaalsContact C-N 3.31Å; C72-N74 PolarHBondContact O-N 2.88Å; N74-S77 PolarHBondContact O-N 3.1Å; N74-F78 WeakPolarHBondContact O-CB 3.49Å; N74-F78 PolarHBondContact O-N 3.01Å; N74-E283 HydrophobicContact CB-CG 4.27Å; N74-R287 WeakPolarHBondContact ND2-CG 3.24Å; N74-R290 PolarHBondContact OD1-NH1 3.25Å; N74-R290 PolarHBondContact OD1-NH2 3.43Å; N74-R290 VanDerWaalsContact OD1-NH2 3.09Å; N74-F391 WeakPolarHBondContact OD1-CE1 3.41Å
75	L	85.8	Confident	80.4	Confident	63 Å²	63	45.4 Å²	45.4	33%	0.33	27%	0.273	S	S	.	.	H	α-helix	trans	-63.1	-44.8	175.3	177	62.2	0	0	0	110.7	C72 S77 F78 L79	C72-L75 HydrophobicContact CB-CB 3.85Å; C72-L75 HydrophobicContact CB-CD2 4.25Å; C72-L75 WeakPolarHBondContact O-CB 3.44Å; C72-L75 PolarHBondContact O-N 3.17Å; L75-S77 PolarHBondContact O-N 3.36Å; L75-F78 PolarHBondContact O-N 3.12Å; L75-L79 HydrophobicContact CD1-CD1 4.21Å; L75-L79 HydrophobicContact CD1-CG 4.24Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 HydrophobicContact CG-CG 4.48Å; L75-L79 WeakPolarHBondContact O-CB 3.44Å; L75-L79 VanDerWaalsContact O-CG 3.27Å; L75-L79 WeakPolarHBondContact O-CG 3.5Å; L75-L79 PolarHBondContact O-N 2.77Å
76	L	85.1	Confident	78.4	Confident	23 Å²	23	48.2 Å²	48.2	12%	0.12	30%	0.296	C	S	.	.	H	α-helix	trans	-63.7	-41.4	178	-67.3	169.1	0	0	0	112.1	P70 C72 R73 L79 R80 L94 N97	P70-L76 VanDerWaalsContact O-CD1 3.25Å; P70-L76 WeakPolarHBondContact O-CD1 3.45Å; C72-L76 WeakPolarHBondContact O-CG 3.49Å; C72-L76 PolarHBondContact O-N 3Å; R73-L76 PolarHBondContact O-N 3.36Å; L76-L79 PolarHBondContact O-N 2.69Å; L76-R80 VanDerWaalsContact O-CB 3.28Å; L76-R80 WeakPolarHBondContact O-CB 3.37Å; L76-R80 PolarHBondContact O-N 2.75Å; L76-L94 HydrophobicContact CD2-CD2 4.06Å; L76-N97 HydrophobicContact CD1-CB 3.82Å
77	S	78.8	Confident	77.1	Confident	37 Å²	37	49.1 Å²	49.1	26%	0.259	31%	0.305	S	S	.	.	H	α-helix	trans	-65.5	-40.4	175.9	-56.3	0	0	0	0	111.3	R73 N74 L75 R80 G81	R73-S77 WeakPolarHBondContact O-CB 3.16Å; R73-S77 PolarHBondContact O-N 3.34Å; R73-S77 PolarHBondContact O-OG 3.29Å; N74-S77 PolarHBondContact O-N 3.1Å; L75-S77 PolarHBondContact O-N 3.36Å; S77-R80 WeakPolarHBondContact O-CB 3.33Å; S77-R80 PolarHBondContact O-N 2.88Å; S77-G81 PolarHBondContact O-N 3.3Å; S77-G81 VanDerWaalsContact O-N 3.1Å
78	F	81.5	Confident	75.9	Confident	140 Å²	140	50.1 Å²	50.1	61%	0.614	31%	0.312	S	S	*	.	H	α-helix	trans	-63.2	-45.4	174	175	-99.4	0	0	0	112.3	N74 L75 R80 G81 S82	N74-F78 WeakPolarHBondContact O-CB 3.49Å; N74-F78 PolarHBondContact O-N 3.01Å; L75-F78 PolarHBondContact O-N 3.12Å; F78-R80 VanDerWaalsContact C-N 3.31Å; F78-R80 PolarHBondContact O-N 3.02Å; F78-G81 PolarHBondContact O-N 3.32Å; F78-S82 WeakPolarHBondContact O-CB 3.37Å; F78-S82 PolarHBondContact O-N 2.93Å; F78-S82 PolarHBondContact O-OG 2.77Å
79	L	80.8	Confident	75	Confident	72 Å²	72	56.1 Å²	56.1	38%	0.377	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-36.6	176.6	-70.6	173.2	0	0	0	111.8	L75 L76 S82 C85 L94	L75-L79 HydrophobicContact CD1-CD1 4.21Å; L75-L79 HydrophobicContact CD1-CG 4.24Å; L75-L79 HydrophobicContact CG-CD1 4.06Å; L75-L79 HydrophobicContact CG-CG 4.48Å; L75-L79 WeakPolarHBondContact O-CB 3.44Å; L75-L79 VanDerWaalsContact O-CG 3.27Å; L75-L79 WeakPolarHBondContact O-CG 3.5Å; L75-L79 PolarHBondContact O-N 2.77Å; L76-L79 PolarHBondContact O-N 2.69Å; L79-S82 PolarHBondContact O-N 3.14Å; L79-C85 WeakPolarHBondContact O-CB 3.33Å; L79-L94 HydrophobicContact CB-CD1 4.05Å
80	R	75.8	Confident	74.3	Confident	9 Å²	9	56.3 Å²	56.3	3%	0.034	34%	0.337	C	S	.	.	H	α-helix	trans	-61.5	-41.9	175.2	-176	-177.8	173.8	85.3	19	111.9	L76 S77 F78 R91 L94 D95 T393 E396 D397	L76-R80 VanDerWaalsContact O-CB 3.28Å; L76-R80 WeakPolarHBondContact O-CB 3.37Å; L76-R80 PolarHBondContact O-N 2.75Å; S77-R80 WeakPolarHBondContact O-CB 3.33Å; S77-R80 PolarHBondContact O-N 2.88Å; F78-R80 VanDerWaalsContact C-N 3.31Å; F78-R80 PolarHBondContact O-N 3.02Å; R80-R91 HydrophobicContact CG-CG 4.19Å; R80-L94 HydrophobicContact CB-CD1 4.38Å; R80-D95 IonicContact CZ-OD1 2.86Å; R80-D95 IonicContact CZ-OD2 3.74Å; R80-D95 IonicContact NH1-OD1 3.71Å; R80-D95 PolarHBondContact NH1-OD1 2.92Å; R80-D95 IonicContact NH1-OD2 2.84Å; R80-D95 PolarHBondContact NH1-OD2 3.42Å; R80-T393 PolarHBondContact NH2-O 3.04Å; R80-E396 IonicContact CZ-OE2 3.45Å; R80-E396 IonicContact NE-OE1 3.66Å; R80-E396 IonicContact NE-OE2 3.39Å; R80-E396 PolarHBondContact NE-OE2 3.4Å; R80-E396 IonicContact NH2-OE2 3.7Å; R80-D397 IonicContact CZ-OD2 3.96Å; R80-D397 IonicContact NH2-OD1 3.89Å; R80-D397 IonicContact NH2-OD2 2.69Å; R80-D397 PolarHBondContact NH2-OD2 2.84Å
81	G	65.1	Low	73.6	Confident	68 Å²	68	59.2 Å²	59.2	70%	0.701	35%	0.347	S	S	*	.	H	α-helix	trans	-83.9	-10.3	179.4	0	0	0	0	0	115.8	S77 F78	S77-G81 PolarHBondContact O-N 3.3Å; S77-G81 VanDerWaalsContact O-N 3.1Å; F78-G81 PolarHBondContact O-N 3.32Å
82	S	69.3	Low	73	Confident	29 Å²	29	58.5 Å²	58.5	20%	0.203	34%	0.34	C	S	.	.	S	Bend	trans	-78.4	148	-178.1	-67.2	0	0	0	0	112.7	F78 L79 A84 C85	F78-S82 WeakPolarHBondContact O-CB 3.37Å; F78-S82 PolarHBondContact O-N 2.93Å; F78-S82 PolarHBondContact O-OG 2.77Å; L79-S82 PolarHBondContact O-N 3.14Å; S82-A84 PolarHBondContact O-N 2.86Å; S82-A84 VanDerWaalsContact O-N 3.12Å; S82-C85 PolarHBondContact O-N 3.47Å
83	S	47.8	Very low	72.6	Confident	108 Å²	108	60.2 Å²	60.2	76%	0.755	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-63	-14.5	177.2	54.7	0	0	0	0	114.5	C85 C86	S83-C85 PolarHBondContact O-N 3.21Å; S83-C86 PolarHBondContact O-SG 3.46Å
84	A	46.1	Very low	72.4	Confident	97 Å²	97	58.4 Å²	58.4	80%	0.802	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-67.4	-17.3	169	0	0	0	0	0	113	S82	S82-A84 PolarHBondContact O-N 2.86Å; S82-A84 VanDerWaalsContact O-N 3.12Å
85	C	53.8	Low	72.1	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.034	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-112	47	-178.3	-161.6	0	0	0	0	111.3	L79 S82 S83 S87 V90 R91	L79-C85 WeakPolarHBondContact O-CB 3.33Å; S82-C85 PolarHBondContact O-N 3.47Å; S83-C85 PolarHBondContact O-N 3.21Å; C85-S87 PolarHBondContact O-N 3.3Å; C85-V90 WeakPolarHBondContact SG-CG1 3.5Å; C85-R91 PolarHBondContact O-NE 3.39Å; C85-R91 VanDerWaalsContact SG-CG 3.52Å
86	C	53.9	Low	72	Confident	107 Å²	107	58.5 Å²	58.5	72%	0.723	34%	0.34	S	S	*	.			trans	-69.1	-7.4	-178.8	-81.3	0	0	0	0	114.8	S83	S83-C86 PolarHBondContact O-SG 3.46Å
87	S	69.3	Low	72.2	Confident	48 Å²	48	59 Å²	59	34%	0.336	34%	0.343	S	S	.	.	S	Bend	trans	-108.6	129.3	179.7	-170.1	0	0	0	0	111.9	C85 R89 V90 R91	C85-S87 PolarHBondContact O-N 3.3Å; S87-R89 PolarHBondContact O-N 3.1Å; S87-V90 PolarHBondContact O-N 3.37Å; S87-R91 PolarHBondContact O-N 2.89Å
88	T	71.2	Confident	72.6	Confident	37 Å²	37	60.1 Å²	60.1	23%	0.227	35%	0.346	C	S	.	.	H	α-helix	trans	-49	-30.9	171	-42.2	0	0	0	0	112.4	V90 R91 R92 D397	T88-V90 PolarHBondContact O-N 3.37Å; T88-R91 PolarHBondContact O-N 2.88Å; T88-R92 WeakPolarHBondContact O-CB 3.49Å; T88-R92 PolarHBondContact O-N 2.97Å; T88-D397 HydrophobicContact CG2-CB 4.36Å
89	R	74.9	Confident	73	Confident	136 Å²	136	57 Å²	57	51%	0.513	34%	0.338	S	S	.	.	H	α-helix	trans	-62.7	-39.9	176	-73.6	-170.3	-76.4	-159.3	-3.2	113	L10 S87 Q93	L10-R89 HydrophobicContact CD2-CB 4.49Å; S87-R89 PolarHBondContact O-N 3.1Å; R89-Q93 PolarHBondContact O-N 3.27Å
90	V	76.9	Confident	73.6	Confident	58 Å²	58	55.3 Å²	55.3	35%	0.352	33%	0.328	S	S	.	.	H	α-helix	trans	-74.9	-40.4	-179.7	-177.2	0	0	0	0	110.3	L10 C85 S87 T88 R92 Q93 L94	L10-V90 HydrophobicContact CD2-CG2 4.21Å; C85-V90 WeakPolarHBondContact SG-CG1 3.5Å; S87-V90 PolarHBondContact O-N 3.37Å; T88-V90 PolarHBondContact O-N 3.37Å; V90-R92 VanDerWaalsContact C-N 3.35Å; V90-R92 PolarHBondContact O-N 3.26Å; V90-Q93 WeakPolarHBondContact O-CB 3.36Å; V90-Q93 PolarHBondContact O-N 3.2Å; V90-L94 PolarHBondContact O-N 3.3Å
91	R	77.4	Confident	74.5	Confident	71 Å²	71	56.2 Å²	56.2	27%	0.268	33%	0.333	S	S	.	.	H	α-helix	trans	-57.3	-47.7	173.9	-64.8	-177.7	-171.7	167.5	-2	111.7	R80 C85 S87 T88 Q93 L94 D95 D397	R80-R91 HydrophobicContact CG-CG 4.19Å; C85-R91 PolarHBondContact O-NE 3.39Å; C85-R91 VanDerWaalsContact SG-CG 3.52Å; S87-R91 PolarHBondContact O-N 2.89Å; T88-R91 PolarHBondContact O-N 2.88Å; R91-Q93 PolarHBondContact O-N 2.76Å; R91-L94 WeakPolarHBondContact O-CA 3.46Å; R91-L94 WeakPolarHBondContact O-CB 3.44Å; R91-L94 PolarHBondContact O-N 2.92Å; R91-D95 PolarHBondContact O-N 3.43Å; R91-D397 IonicContact CZ-OD1 3.36Å; R91-D397 IonicContact NH1-OD1 3.94Å; R91-D397 PolarHBondContact NH1-OD1 3.48Å
92	R	77	Confident	75.9	Confident	23 Å²	23	57.8 Å²	57.8	9%	0.087	32%	0.32	C	S	.	.	H	α-helix	trans	-60.1	-33	175.9	-170.7	176.9	63.4	-174.3	-7.1	113	E6 N7 T88 V90 D95 R96	E6-R92 PolarHBondContact O-NH2 3.42Å; N7-R92 PolarHBondContact O-NH2 2.75Å; N7-R92 PolarHBondContact OD1-NH1 3.3Å; T88-R92 WeakPolarHBondContact O-CB 3.49Å; T88-R92 PolarHBondContact O-N 2.97Å; V90-R92 VanDerWaalsContact C-N 3.35Å; V90-R92 PolarHBondContact O-N 3.26Å; R92-D95 PolarHBondContact O-N 2.62Å; R92-R96 PolarHBondContact O-N 2.91Å
93	Q	82.7	Confident	77.2	Confident	36 Å²	36	59.4 Å²	59.4	17%	0.168	33%	0.325	C	S	.	.	H	α-helix	trans	-67.8	-39.5	174.2	-176.2	59.3	15	0	0	111.8	L10 S11 V14 R89 V90 R91 D95 R96	L10-Q93 HydrophobicContact CD2-CB 3.96Å; L10-Q93 HydrophobicContact CD2-CG 4.42Å; L10-Q93 HydrophobicContact CG-CB 4.44Å; L10-Q93 HydrophobicContact CG-CG 4.45Å; S11-Q93 PolarHBondContact OG-OE1 3.09Å; V14-Q93 HydrophobicContact CG2-CG 4.4Å; R89-Q93 PolarHBondContact O-N 3.27Å; V90-Q93 WeakPolarHBondContact O-CB 3.36Å; V90-Q93 PolarHBondContact O-N 3.2Å; R91-Q93 PolarHBondContact O-N 2.76Å; Q93-D95 VanDerWaalsContact C-N 3.27Å; Q93-D95 PolarHBondContact O-N 3.28Å; Q93-R96 PolarHBondContact O-N 3.27Å
94	L	82.2	Confident	79.5	Confident	36 Å²	36	54.2 Å²	54.2	19%	0.188	29%	0.289	C	S	.	.	H	α-helix	trans	-63.8	-33.7	173.7	-63.1	174.9	0	0	0	111.6	L76 L79 R80 V90 R91 R96 N97	L76-L94 HydrophobicContact CD2-CD2 4.06Å; L79-L94 HydrophobicContact CB-CD1 4.05Å; R80-L94 HydrophobicContact CB-CD1 4.38Å; V90-L94 PolarHBondContact O-N 3.3Å; R91-L94 WeakPolarHBondContact O-CA 3.46Å; R91-L94 WeakPolarHBondContact O-CB 3.44Å; R91-L94 PolarHBondContact O-N 2.92Å; L94-R96 PolarHBondContact O-N 3.25Å; L94-N97 WeakPolarHBondContact O-CB 3.19Å; L94-N97 PolarHBondContact O-N 3.43Å; L94-N97 VanDerWaalsContact O-N 3.16Å; L94-N97 PolarHBondContact O-ND2 2.94Å
95	D	79.8	Confident	82	Confident	31 Å²	31	51.1 Å²	51.1	17%	0.166	26%	0.264	C	S	.	.	H	α-helix	trans	-68.3	-20.4	178.2	-61.8	-27.6	0	0	0	113.2	R80 R91 R92 Q93 N97	R80-D95 IonicContact CZ-OD1 2.86Å; R80-D95 IonicContact CZ-OD2 3.74Å; R80-D95 IonicContact NH1-OD1 3.71Å; R80-D95 PolarHBondContact NH1-OD1 2.92Å; R80-D95 IonicContact NH1-OD2 2.84Å; R80-D95 PolarHBondContact NH1-OD2 3.42Å; R91-D95 PolarHBondContact O-N 3.43Å; R92-D95 PolarHBondContact O-N 2.62Å; Q93-D95 VanDerWaalsContact C-N 3.27Å; Q93-D95 PolarHBondContact O-N 3.28Å; D95-N97 PolarHBondContact O-N 3.24Å
96	R	82.9	Confident	84	Confident	57 Å²	57	58.9 Å²	58.9	22%	0.215	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	12	174.9	-65.9	177.2	176.4	-154	-3.4	113.5	E8 S11 R92 Q93 L94 L98 T99 F100	E8-R96 VanDerWaalsContact CD-NH2 3.31Å; E8-R96 IonicContact OE1-CZ 2.75Å; E8-R96 IonicContact OE1-NH1 3.01Å; E8-R96 IonicContact OE1-NH2 2.71Å; E8-R96 PolarHBondContact OE1-NH2 3.46Å; E8-R96 IonicContact OE2-CZ 3.83Å; E8-R96 IonicContact OE2-NH1 2.8Å; E8-R96 PolarHBondContact OE2-NH1 2.93Å; E8-R96 IonicContact OE2-NH2 3.99Å; E8-R96 PolarHBondContact OE2-NH2 2.86Å; S11-R96 PolarHBondContact OG-NH1 3.15Å; R92-R96 PolarHBondContact O-N 2.91Å; Q93-R96 PolarHBondContact O-N 3.27Å; L94-R96 PolarHBondContact O-N 3.25Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 2.98Å; R96-T99 WeakPolarHBondContact O-CB 3Å; R96-T99 PolarHBondContact O-N 3.39Å; R96-T99 VanDerWaalsContact O-N 3.09Å; R96-F100 PolarHBondContact O-N 3.29Å
97	N	88.2	Confident	86.1	Confident	35 Å²	35	55.1 Å²	55.1	19%	0.187	26%	0.264	C	S	.	.	H	α-helix	trans	-51.3	-45.1	-177.9	61.7	60.6	0	0	0	113.4	P70 L76 L94 D95 T99 F100 H101	P70-N97 HydrophobicContact CB-CB 3.85Å; P70-N97 VanDerWaalsContact CB-O 3.24Å; P70-N97 WeakPolarHBondContact CB-O 3.34Å; P70-N97 WeakPolarHBondContact O-CB 3.49Å; P70-N97 PolarHBondContact O-OD1 3.23Å; L76-N97 HydrophobicContact CD1-CB 3.82Å; L94-N97 WeakPolarHBondContact O-CB 3.19Å; L94-N97 PolarHBondContact O-N 3.43Å; L94-N97 VanDerWaalsContact O-N 3.16Å; L94-N97 PolarHBondContact O-ND2 2.94Å; D95-N97 PolarHBondContact O-N 3.24Å; N97-T99 VanDerWaalsContact C-N 3.34Å; N97-T99 PolarHBondContact O-N 3.25Å; N97-F100 PolarHBondContact O-N 2.86Å; N97-H101 PolarHBondContact O-N 3.31Å
98	L	88.8	Confident	87.5	Confident	59 Å²	59	53.1 Å²	53.1	31%	0.309	25%	0.25	S	C	.	.	H	α-helix	trans	-70.8	-31.2	-178	-65.4	-172.4	0	0	0	112.2	V71 R96 K102	V71-L98 HydrophobicContact CG1-CD2 4.36Å; R96-L98 VanDerWaalsContact C-N 3.33Å; R96-L98 PolarHBondContact O-N 2.98Å; L98-K102 VanDerWaalsContact O-CG 3.32Å; L98-K102 WeakPolarHBondContact O-CG 3.29Å; L98-K102 PolarHBondContact O-N 3.44Å; L98-K102 VanDerWaalsContact O-N 3.13Å
99	T	89.4	Confident	88.8	Confident	75 Å²	75	52.5 Å²	52.5	46%	0.46	25%	0.248	S	C	.	.	H	α-helix	trans	-66.5	-44	172.8	-57.1	0	0	0	0	109.8	R96 N97 K102 M103	R96-T99 WeakPolarHBondContact O-CB 3Å; R96-T99 PolarHBondContact O-N 3.39Å; R96-T99 VanDerWaalsContact O-N 3.09Å; N97-T99 VanDerWaalsContact C-N 3.34Å; N97-T99 PolarHBondContact O-N 3.25Å; T99-K102 PolarHBondContact O-N 3.27Å; T99-M103 HydrophobicContact CG2-CE 4.42Å; T99-M103 WeakPolarHBondContact O-CG 3.4Å; T99-M103 PolarHBondContact O-N 3.21Å; T99-M103 VanDerWaalsContact O-N 3.11Å
100	F	92.9	Very high	89.8	Confident	36 Å²	36	50.5 Å²	50.5	16%	0.158	25%	0.247	C	C	.	.	H	α-helix	trans	-62.7	-43.7	174.5	-173	-109.5	0	0	0	112.4	W18 L66 P70 R96 N97 K102 M103 V104	W18-F100 HydrophobicContact CB-CE2 4.26Å; W18-F100 HydrophobicContact CB-CZ 4.48Å; W18-F100 HydrophobicContact CD2-CE2 4.04Å; W18-F100 HydrophobicContact CD2-CZ 4.44Å; W18-F100 HydrophobicContact CE3-CE2 4.42Å; W18-F100 AromaticContact CG-CE2 3.95Å; W18-F100 HydrophobicContact CG-CE2 3.95Å; W18-F100 HydrophobicContact CG-CZ 4.06Å; L66-F100 HydrophobicContact CD1-CZ 4.48Å; P70-F100 HydrophobicContact CG-CD1 3.75Å; P70-F100 HydrophobicContact CG-CE1 4.38Å; R96-F100 PolarHBondContact O-N 3.29Å; N97-F100 PolarHBondContact O-N 2.86Å; F100-K102 VanDerWaalsContact C-N 3.31Å; F100-K102 PolarHBondContact O-N 3.46Å; F100-M103 HydrophobicContact CB-CE 4.29Å; F100-M103 HydrophobicContact CD2-CE 3.9Å; F100-M103 PolarHBondContact O-N 2.91Å; F100-M103 VanDerWaalsContact O-N 3.11Å; F100-V104 HydrophobicContact CD1-CG2 4.09Å; F100-V104 HydrophobicContact CD2-CG2 4.48Å; F100-V104 HydrophobicContact CE1-CG2 3.71Å; F100-V104 HydrophobicContact CE2-CG2 4.12Å; F100-V104 HydrophobicContact CG-CG2 4.46Å; F100-V104 HydrophobicContact CZ-CG2 3.71Å; F100-V104 WeakPolarHBondContact O-CG2 3.48Å; F100-V104 PolarHBondContact O-N 2.92Å
101	H	95	Very high	90.8	Very high	29 Å²	29	48.3 Å²	48.3	13%	0.134	23%	0.233	C	C	.	.	H	α-helix	trans	-53.3	-45.9	173.6	176.6	87.7	0	0	0	112.2	I67 P70 N97 V104 A105	I67-H101 WeakPolarHBondContact CD1-ND1 3.22Å; I67-H101 WeakPolarHBondContact CD1-O 3.46Å; I67-H101 PolarHBondContact O-ND1 3.07Å; P70-H101 HydrophobicContact CB-CB 4.1Å; P70-H101 HydrophobicContact CG-CB 4.44Å; N97-H101 PolarHBondContact O-N 3.31Å; H101-V104 PolarHBondContact O-N 3.37Å; H101-A105 WeakPolarHBondContact O-CB 3.28Å; H101-A105 PolarHBondContact O-N 2.87Å
102	K	94.8	Very high	91.8	Very high	101 Å²	101	45.7 Å²	45.7	44%	0.439	23%	0.225	S	C	.	.	H	α-helix	trans	-64.3	-40.4	177.5	-68.2	167.6	-168.3	168.3	0	112.5	L98 T99 F100 A105 W106	L98-K102 VanDerWaalsContact O-CG 3.32Å; L98-K102 WeakPolarHBondContact O-CG 3.29Å; L98-K102 PolarHBondContact O-N 3.44Å; L98-K102 VanDerWaalsContact O-N 3.13Å; T99-K102 PolarHBondContact O-N 3.27Å; F100-K102 VanDerWaalsContact C-N 3.31Å; F100-K102 PolarHBondContact O-N 3.46Å; K102-A105 PolarHBondContact O-N 2.81Å; K102-W106 PolarHBondContact O-N 3.15Å; K102-W106 VanDerWaalsContact O-N 3.1Å
103	M	95.3	Very high	92.8	Very high	62 Å²	62	47 Å²	47	31%	0.305	24%	0.241	S	C	.	.	H	α-helix	trans	-63.7	-44	176.4	-69.6	-173.2	-66.9	0	0	111.6	V15 W18 T99 F100 A105 W106 M107	V15-M103 HydrophobicContact CG2-CE 3.72Å; V15-M103 HydrophobicContact CG2-SD 4.31Å; W18-M103 HydrophobicContact CH2-CB 4.21Å; W18-M103 HydrophobicContact CZ3-CB 4.35Å; T99-M103 HydrophobicContact CG2-CE 4.42Å; T99-M103 WeakPolarHBondContact O-CG 3.4Å; T99-M103 PolarHBondContact O-N 3.21Å; T99-M103 VanDerWaalsContact O-N 3.11Å; F100-M103 HydrophobicContact CB-CE 4.29Å; F100-M103 HydrophobicContact CD2-CE 3.9Å; F100-M103 PolarHBondContact O-N 2.91Å; F100-M103 VanDerWaalsContact O-N 3.11Å; M103-A105 VanDerWaalsContact C-N 3.33Å; M103-A105 PolarHBondContact O-N 2.9Å; M103-W106 PolarHBondContact O-N 3.41Å; M103-M107 PolarHBondContact O-N 3.27Å
104	V	97.6	Very high	93.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-40.7	175.4	177.7	0	0	0	0	110.8	W18 N63 I67 F100 H101 W106 M107 I108	W18-V104 HydrophobicContact CZ2-CG2 4.1Å; N63-V104 HydrophobicContact CB-CG1 3.8Å; N63-V104 VanDerWaalsContact O-CG1 3.31Å; N63-V104 WeakPolarHBondContact O-CG1 3.25Å; I67-V104 HydrophobicContact CB-CG1 4.02Å; I67-V104 HydrophobicContact CD1-CB 3.8Å; I67-V104 HydrophobicContact CD1-CG1 3.72Å; I67-V104 HydrophobicContact CG1-CG1 4.43Å; F100-V104 HydrophobicContact CD1-CG2 4.09Å; F100-V104 HydrophobicContact CD2-CG2 4.48Å; F100-V104 HydrophobicContact CE1-CG2 3.71Å; F100-V104 HydrophobicContact CE2-CG2 4.12Å; F100-V104 HydrophobicContact CG-CG2 4.46Å; F100-V104 HydrophobicContact CZ-CG2 3.71Å; F100-V104 WeakPolarHBondContact O-CG2 3.48Å; F100-V104 PolarHBondContact O-N 2.92Å; H101-V104 PolarHBondContact O-N 3.37Å; V104-W106 PolarHBondContact O-N 2.89Å; V104-M107 WeakPolarHBondContact O-CB 3.35Å; V104-M107 PolarHBondContact O-N 2.79Å; V104-I108 HydrophobicContact CG1-CD1 4.15Å; V104-I108 WeakPolarHBondContact O-CG1 3.49Å; V104-I108 PolarHBondContact O-N 3.37Å
105	A	97.3	Very high	94.3	Very high	32 Å²	32	47.2 Å²	47.2	26%	0.264	24%	0.242	S	C	.	.	H	α-helix	trans	-60.8	-42.4	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 3.28Å; H101-A105 PolarHBondContact O-N 2.87Å; K102-A105 PolarHBondContact O-N 2.81Å; M103-A105 VanDerWaalsContact C-N 3.33Å; M103-A105 PolarHBondContact O-N 2.9Å; A105-M107 VanDerWaalsContact C-N 3.35Å; A105-I108 WeakPolarHBondContact O-CB 3.13Å; A105-I108 PolarHBondContact O-N 2.83Å; A105-A109 PolarHBondContact O-N 3.27Å
106	W	96.9	Very high	95.1	Very high	167 Å²	167	47.9 Å²	47.9	63%	0.633	25%	0.247	S	C	*	.	H	α-helix	trans	-65.3	-37.1	174.4	-77.9	116.9	0	0	0	112.8	K102 M103 V104 I108 A109 L110 I190	K102-W106 PolarHBondContact O-N 3.15Å; K102-W106 VanDerWaalsContact O-N 3.1Å; M103-W106 PolarHBondContact O-N 3.41Å; V104-W106 PolarHBondContact O-N 2.89Å; W106-I108 VanDerWaalsContact C-N 3.35Å; W106-A109 HydrophobicContact CE3-CB 4.4Å; W106-A109 WeakPolarHBondContact O-CB 3.3Å; W106-A109 PolarHBondContact O-N 2.78Å; W106-L110 PolarHBondContact O-N 2.81Å; W106-I190 HydrophobicContact CH2-CG2 4.48Å
107	M	97.9	Very high	95.7	Very high	28 Å²	28	49.6 Å²	49.6	14%	0.138	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-38.8	174.4	-171.4	60.5	76.8	0	0	112	W18 L19 N63 M103 V104 A105 L110 H111	W18-M107 HydrophobicContact CH2-CB 3.89Å; W18-M107 HydrophobicContact CH2-CE 3.79Å; W18-M107 HydrophobicContact CH2-CG 4.3Å; W18-M107 HydrophobicContact CZ2-CB 3.61Å; W18-M107 HydrophobicContact CZ2-CE 4.11Å; W18-M107 HydrophobicContact CZ2-CG 3.85Å; W18-M107 HydrophobicContact CZ3-CE 4.42Å; L19-M107 HydrophobicContact CD2-CE 3.75Å; N63-M107 WeakPolarHBondContact ND2-CG 3.48Å; M103-M107 PolarHBondContact O-N 3.27Å; V104-M107 WeakPolarHBondContact O-CB 3.35Å; V104-M107 PolarHBondContact O-N 2.79Å; A105-M107 VanDerWaalsContact C-N 3.35Å; M107-L110 PolarHBondContact O-N 2.7Å; M107-L110 HydrophobicContact SD-CD2 4.2Å; M107-H111 PolarHBondContact O-CD2 3.45Å; M107-H111 PolarHBondContact O-N 3.49Å; M107-H111 VanDerWaalsContact SD-CD2 3.59Å; M107-H111 PolarHBondContact SD-NE2 2.98Å; M107-H111 VanDerWaalsContact SD-NE2 3.44Å
108	I	98.3	Very high	96.2	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.036	25%	0.253	C	S	.	.	H	α-helix	trans	-60.8	-45.8	171.8	-68.8	167.9	0	0	0	110.1	L60 N63 I67 V104 A105 W106 L110 H111 T112 L186 F215	L60-I108 HydrophobicContact CD2-CB 4.38Å; L60-I108 HydrophobicContact CD2-CG2 3.92Å; L60-I108 WeakPolarHBondContact CD2-O 3.35Å; N63-I108 HydrophobicContact CB-CD1 4.18Å; N63-I108 HydrophobicContact CB-CG1 3.6Å; I67-I108 HydrophobicContact CB-CD1 4.1Å; I67-I108 HydrophobicContact CD1-CD1 4.39Å; I67-I108 HydrophobicContact CG1-CD1 4.19Å; I67-I108 HydrophobicContact CG2-CD1 4.42Å; V104-I108 HydrophobicContact CG1-CD1 4.15Å; V104-I108 WeakPolarHBondContact O-CG1 3.49Å; V104-I108 PolarHBondContact O-N 3.37Å; A105-I108 WeakPolarHBondContact O-CB 3.13Å; A105-I108 PolarHBondContact O-N 2.83Å; W106-I108 VanDerWaalsContact C-N 3.35Å; I108-L110 PolarHBondContact O-N 2.8Å; I108-H111 PolarHBondContact O-N 3.34Å; I108-T112 VanDerWaalsContact O-CB 3.3Å; I108-T112 WeakPolarHBondContact O-CB 3.37Å; I108-T112 PolarHBondContact O-N 3.42Å; I108-T112 PolarHBondContact O-OG1 2.81Å; I108-L186 HydrophobicContact CG2-CD1 4.19Å; I108-L186 HydrophobicContact CG2-CD2 4.02Å; I108-F215 HydrophobicContact CG2-CZ 4.45Å
109	A	97.8	Very high	96.5	Very high	23 Å²	23	47 Å²	47	19%	0.19	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-47.3	178.2	0	0	0	0	0	112.2	A105 W106 T112 A113 I190	A105-A109 PolarHBondContact O-N 3.27Å; W106-A109 HydrophobicContact CE3-CB 4.4Å; W106-A109 WeakPolarHBondContact O-CB 3.3Å; W106-A109 PolarHBondContact O-N 2.78Å; A109-T112 PolarHBondContact O-N 2.93Å; A109-A113 PolarHBondContact O-N 3.37Å; A109-I190 HydrophobicContact CB-CD1 3.57Å
110	L	97.6	Very high	96.8	Very high	94 Å²	94	48.8 Å²	48.8	49%	0.492	25%	0.252	S	S	.	.	H	α-helix	trans	-59.2	-53	178.2	175.7	63.8	0	0	0	111.5	W106 M107 I108 T112 A113 I114	W106-L110 PolarHBondContact O-N 2.81Å; M107-L110 PolarHBondContact O-N 2.7Å; M107-L110 HydrophobicContact SD-CD2 4.2Å; I108-L110 PolarHBondContact O-N 2.8Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-T112 PolarHBondContact O-N 2.89Å; L110-A113 PolarHBondContact O-N 2.91Å; L110-I114 HydrophobicContact CD1-CD1 4.12Å; L110-I114 HydrophobicContact CG-CD1 4.16Å; L110-I114 WeakPolarHBondContact O-CG1 3.48Å; L110-I114 PolarHBondContact O-N 2.82Å; L110-I114 VanDerWaalsContact O-N 3.13Å
111	H	98.2	Very high	97	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.056	26%	0.263	C	S	.	.	H	α-helix	trans	-69	-30.5	-178.6	-75.1	-54.5	0	0	0	112.8	P56 C59 L60 M107 I108 I114 H115	P56-H111 HydrophobicContact CB-CB 4.01Å; P56-H111 WeakPolarHBondContact CB-O 3.44Å; C59-H111 WeakPolarHBondContact CB-CD2 3.34Å; C59-H111 VanDerWaalsContact CB-NE2 3.3Å; C59-H111 WeakPolarHBondContact CB-NE2 3.37Å; L60-H111 HydrophobicContact CD2-CB 3.87Å; L60-H111 HydrophobicContact CG-CB 3.78Å; M107-H111 PolarHBondContact O-CD2 3.45Å; M107-H111 PolarHBondContact O-N 3.49Å; M107-H111 VanDerWaalsContact SD-CD2 3.59Å; M107-H111 PolarHBondContact SD-NE2 2.98Å; M107-H111 VanDerWaalsContact SD-NE2 3.44Å; I108-H111 PolarHBondContact O-N 3.34Å; H111-I114 PolarHBondContact O-N 3.25Å; H111-H115 WeakPolarHBondContact O-CB 3.37Å; H111-H115 PolarHBondContact O-N 3.28Å
112	T	98.1	Very high	97	Very high	17 Å²	17	50.2 Å²	50.2	10%	0.104	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-45	171.5	-65.4	0	0	0	0	110.7	L60 I108 A109 L110 I114 H115 T116 T183 L186	L60-T112 WeakPolarHBondContact CD2-OG1 3.31Å; I108-T112 VanDerWaalsContact O-CB 3.3Å; I108-T112 WeakPolarHBondContact O-CB 3.37Å; I108-T112 PolarHBondContact O-N 3.42Å; I108-T112 PolarHBondContact O-OG1 2.81Å; A109-T112 PolarHBondContact O-N 2.93Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-T112 PolarHBondContact O-N 2.89Å; T112-I114 PolarHBondContact O-N 3.5Å; T112-H115 PolarHBondContact O-N 3.36Å; T112-T116 WeakPolarHBondContact O-CB 3.36Å; T112-T116 PolarHBondContact O-N 3.36Å; T112-T116 PolarHBondContact O-OG1 3.42Å; T112-T183 HydrophobicContact CG2-CG2 4.49Å; T112-L186 HydrophobicContact CG2-CD2 3.92Å; T112-L186 WeakPolarHBondContact OG1-CD2 3.49Å
113	A	97.6	Very high	97	Very high	50 Å²	50	46.7 Å²	46.7	41%	0.413	25%	0.245	S	C	.	.	H	α-helix	trans	-59.3	-49.3	177.6	0	0	0	0	0	111.6	A109 L110 H115 T116 I117	A109-A113 PolarHBondContact O-N 3.37Å; L110-A113 PolarHBondContact O-N 2.91Å; A113-H115 PolarHBondContact O-N 3.49Å; A113-T116 PolarHBondContact O-N 3.2Å; A113-I117 WeakPolarHBondContact O-CB 2.89Å; A113-I117 WeakPolarHBondContact O-CD1 3.42Å; A113-I117 VanDerWaalsContact O-CG1 3.23Å; A113-I117 WeakPolarHBondContact O-CG1 3.25Å; A113-I117 PolarHBondContact O-N 3.32Å
114	I	97.9	Very high	97	Very high	57 Å²	57	48 Å²	48	29%	0.292	25%	0.25	S	S	.	.	H	α-helix	trans	-62.3	-45.6	178.6	-57.6	167.2	0	0	0	110.7	P56 L110 H111 T112 A118	P56-I114 HydrophobicContact CB-CB 4.45Å; P56-I114 HydrophobicContact CG-CB 3.94Å; P56-I114 HydrophobicContact CG-CG2 3.54Å; L110-I114 HydrophobicContact CD1-CD1 4.12Å; L110-I114 HydrophobicContact CG-CD1 4.16Å; L110-I114 WeakPolarHBondContact O-CG1 3.48Å; L110-I114 PolarHBondContact O-N 2.82Å; L110-I114 VanDerWaalsContact O-N 3.13Å; H111-I114 PolarHBondContact O-N 3.25Å; T112-I114 PolarHBondContact O-N 3.5Å; I114-A118 VanDerWaalsContact O-CB 3.3Å; I114-A118 WeakPolarHBondContact O-CB 3.45Å; I114-A118 PolarHBondContact O-N 2.89Å
115	H	97.4	Very high	96.9	Very high	19 Å²	19	52.2 Å²	52.2	9%	0.088	27%	0.266	C	S	.	.	H	α-helix	trans	-59.1	-49.2	179	179.8	70.7	0	0	0	112.2	A53 P56 L60 H111 T112 A113 A118 H119 H222	A53-H115 PolarHBondContact O-ND1 3.19Å; P56-H115 HydrophobicContact CB-CB 4Å; L60-H115 HydrophobicContact CD1-CB 4.01Å; H111-H115 WeakPolarHBondContact O-CB 3.37Å; H111-H115 PolarHBondContact O-N 3.28Å; T112-H115 PolarHBondContact O-N 3.36Å; A113-H115 PolarHBondContact O-N 3.49Å; H115-A118 PolarHBondContact O-N 3.02Å; H115-H119 AromaticContact CD2-CD2 3.84Å; H115-H119 AromaticContact CE1-CD2 3.14Å; H115-H119 PolarHBondContact CE1-CD2 2.82Å; H115-H119 AromaticContact CE1-NE2 3.05Å; H115-H119 PolarHBondContact CE1-NE2 2.75Å; H115-H119 AromaticContact CG-CD2 3.97Å; H115-H119 AromaticContact ND1-CD2 3.55Å; H115-H119 AromaticContact ND1-NE2 3.71Å; H115-H119 AromaticContact NE2-CD2 3.34Å; H115-H119 PolarHBondContact NE2-CD2 2.88Å; H115-H119 VanDerWaalsContact NE2-CD2 3.34Å; H115-H119 AromaticContact NE2-NE2 3.59Å; H115-H119 WeakPolarHBondContact O-CB 3.17Å; H115-H119 PolarHBondContact O-CD2 2.87Å; H115-H119 PolarHBondContact O-N 3.07Å; H115-H222 AromaticContact NE2-NE2 3.8Å
116	T	96.6	Very high	96.8	Very high	45 Å²	45	50.8 Å²	50.8	28%	0.276	26%	0.255	S	S	.	.	H	α-helix	trans	-64.8	-47.5	-179.1	-61.9	0	0	0	0	110.7	T112 A113 A118 H119 L120	T112-T116 WeakPolarHBondContact O-CB 3.36Å; T112-T116 PolarHBondContact O-N 3.36Å; T112-T116 PolarHBondContact O-OG1 3.42Å; A113-T116 PolarHBondContact O-N 3.2Å; T116-A118 VanDerWaalsContact C-N 3.34Å; T116-A118 PolarHBondContact O-N 2.62Å; T116-H119 PolarHBondContact O-N 3.44Å; T116-H119 VanDerWaalsContact O-N 3.12Å; T116-L120 WeakPolarHBondContact O-CG 3.33Å; T116-L120 PolarHBondContact O-N 2.71Å
117	I	96.9	Very high	96.7	Very high	93 Å²	93	42.9 Å²	42.9	48%	0.477	23%	0.225	S	C	.	.	H	α-helix	trans	-59.3	-45.8	177.6	-68.6	166.7	0	0	0	110.8	A113 H119 L120 F121	A113-I117 WeakPolarHBondContact O-CB 2.89Å; A113-I117 WeakPolarHBondContact O-CD1 3.42Å; A113-I117 VanDerWaalsContact O-CG1 3.23Å; A113-I117 WeakPolarHBondContact O-CG1 3.25Å; A113-I117 PolarHBondContact O-N 3.32Å; I117-H119 VanDerWaalsContact C-N 3.29Å; I117-H119 PolarHBondContact O-N 3.16Å; I117-L120 WeakPolarHBondContact O-CB 3.25Å; I117-L120 PolarHBondContact O-N 3.09Å; I117-F121 HydrophobicContact CG2-CD2 4.05Å; I117-F121 HydrophobicContact CG2-CE2 3.65Å; I117-F121 VanDerWaalsContact O-CD2 3.27Å; I117-F121 WeakPolarHBondContact O-CD2 3.39Å; I117-F121 PolarHBondContact O-N 2.78Å
118	A	97.4	Very high	96.5	Very high	5 Å²	5	46.9 Å²	46.9	4%	0.041	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-37.4	176.9	0	0	0	0	0	112.1	L52 A53 I114 H115 T116 F121 N122	L52-A118 HydrophobicContact CB-CB 3.94Å; A53-A118 HydrophobicContact CB-CB 3.81Å; I114-A118 VanDerWaalsContact O-CB 3.3Å; I114-A118 WeakPolarHBondContact O-CB 3.45Å; I114-A118 PolarHBondContact O-N 2.89Å; H115-A118 PolarHBondContact O-N 3.02Å; T116-A118 VanDerWaalsContact C-N 3.34Å; T116-A118 PolarHBondContact O-N 2.62Å; A118-F121 PolarHBondContact O-N 3.08Å; A118-N122 PolarHBondContact O-N 2.83Å; A118-N122 PolarHBondContact O-ND2 2.87Å; A118-N122 VanDerWaalsContact O-ND2 3.1Å
119	H	96.1	Very high	96.2	Very high	34 Å²	34	46.8 Å²	46.8	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-69.2	-32.9	174.2	-88.4	-62.3	0	0	0	113.8	H115 T116 I117 N122 V123	H115-H119 AromaticContact CD2-CD2 3.84Å; H115-H119 AromaticContact CE1-CD2 3.14Å; H115-H119 PolarHBondContact CE1-CD2 2.82Å; H115-H119 AromaticContact CE1-NE2 3.05Å; H115-H119 PolarHBondContact CE1-NE2 2.75Å; H115-H119 AromaticContact CG-CD2 3.97Å; H115-H119 AromaticContact ND1-CD2 3.55Å; H115-H119 AromaticContact ND1-NE2 3.71Å; H115-H119 AromaticContact NE2-CD2 3.34Å; H115-H119 PolarHBondContact NE2-CD2 2.88Å; H115-H119 VanDerWaalsContact NE2-CD2 3.34Å; H115-H119 AromaticContact NE2-NE2 3.59Å; H115-H119 WeakPolarHBondContact O-CB 3.17Å; H115-H119 PolarHBondContact O-CD2 2.87Å; H115-H119 PolarHBondContact O-N 3.07Å; T116-H119 PolarHBondContact O-N 3.44Å; T116-H119 VanDerWaalsContact O-N 3.12Å; I117-H119 VanDerWaalsContact C-N 3.29Å; I117-H119 PolarHBondContact O-N 3.16Å; H119-N122 PolarHBondContact O-N 3.48Å; H119-V123 WeakPolarHBondContact O-CB 3.41Å; H119-V123 VanDerWaalsContact O-CG2 3.28Å; H119-V123 WeakPolarHBondContact O-CG2 3.41Å; H119-V123 PolarHBondContact O-N 2.63Å
120	L	95.5	Very high	96	Very high	113 Å²	113	47.4 Å²	47.4	59%	0.592	24%	0.241	S	C	*	.	H	α-helix	trans	-60.3	-47.5	172.6	-67.5	174.5	0	0	0	110.7	T116 I117 N122 V123 E124	T116-L120 WeakPolarHBondContact O-CG 3.33Å; T116-L120 PolarHBondContact O-N 2.71Å; I117-L120 WeakPolarHBondContact O-CB 3.25Å; I117-L120 PolarHBondContact O-N 3.09Å; L120-N122 PolarHBondContact O-N 2.84Å; L120-V123 PolarHBondContact O-N 2.88Å; L120-E124 WeakPolarHBondContact O-CB 3.48Å; L120-E124 PolarHBondContact O-N 3Å
121	F	96.2	Very high	95.7	Very high	91 Å²	91	46.2 Å²	46.2	40%	0.399	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-44.3	173.6	-71.7	-62.3	0	0	0	112.5	A49 I117 A118 V123 E124 W125	A49-F121 HydrophobicContact CB-CB 3.88Å; I117-F121 HydrophobicContact CG2-CD2 4.05Å; I117-F121 HydrophobicContact CG2-CE2 3.65Å; I117-F121 VanDerWaalsContact O-CD2 3.27Å; I117-F121 WeakPolarHBondContact O-CD2 3.39Å; I117-F121 PolarHBondContact O-N 2.78Å; A118-F121 PolarHBondContact O-N 3.08Å; F121-V123 VanDerWaalsContact C-N 3.29Å; F121-V123 PolarHBondContact O-N 3.35Å; F121-E124 PolarHBondContact O-N 3.5Å; F121-W125 HydrophobicContact CB-CD2 4.49Å; F121-W125 HydrophobicContact CB-CE3 4.35Å; F121-W125 HydrophobicContact CB-CH2 4.24Å; F121-W125 HydrophobicContact CB-CZ2 4.34Å; F121-W125 HydrophobicContact CB-CZ3 4.24Å; F121-W125 HydrophobicContact CD1-CZ2 4.17Å; F121-W125 HydrophobicContact CG-CZ2 4.49Å; F121-W125 WeakPolarHBondContact O-CB 3.47Å; F121-W125 PolarHBondContact O-N 2.91Å
122	N	95.8	Very high	95.1	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.027	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-41.3	177.9	-71.4	-34.2	0	0	0	112.1	L46 A49 L50 A53 A118 H119 L120 S126	L46-N122 WeakPolarHBondContact CB-OD1 3.4Å; L46-N122 HydrophobicContact CD1-CB 4.41Å; L46-N122 HydrophobicContact CD2-CB 4.15Å; L46-N122 WeakPolarHBondContact CD2-O 3.4Å; A49-N122 WeakPolarHBondContact CB-OD1 3.39Å; A49-N122 PolarHBondContact O-ND2 3.04Å; A49-N122 VanDerWaalsContact O-ND2 3.13Å; L50-N122 PolarHBondContact N-OD1 2.86Å; A53-N122 WeakPolarHBondContact CB-ND2 3.46Å; A118-N122 PolarHBondContact O-N 2.83Å; A118-N122 PolarHBondContact O-ND2 2.87Å; A118-N122 VanDerWaalsContact O-ND2 3.1Å; H119-N122 PolarHBondContact O-N 3.48Å; L120-N122 PolarHBondContact O-N 2.84Å; N122-S126 VanDerWaalsContact O-CB 3.25Å; N122-S126 WeakPolarHBondContact O-CB 3.33Å; N122-S126 PolarHBondContact O-N 3.28Å; N122-S126 PolarHBondContact O-OG 3.5Å
123	V	95.3	Very high	94.3	Very high	27 Å²	27	56.4 Å²	56.4	16%	0.164	28%	0.283	C	S	.	.	H	α-helix	trans	-68.3	-46.7	177.6	170	0	0	0	0	110.4	H119 L120 F121 W125 S126 V127 F155 V169	H119-V123 WeakPolarHBondContact O-CB 3.41Å; H119-V123 VanDerWaalsContact O-CG2 3.28Å; H119-V123 WeakPolarHBondContact O-CG2 3.41Å; H119-V123 PolarHBondContact O-N 2.63Å; L120-V123 PolarHBondContact O-N 2.88Å; F121-V123 VanDerWaalsContact C-N 3.29Å; F121-V123 PolarHBondContact O-N 3.35Å; V123-W125 PolarHBondContact O-N 3.05Å; V123-S126 PolarHBondContact O-N 2.55Å; V123-V127 HydrophobicContact CG1-CG2 4.36Å; V123-V127 VanDerWaalsContact O-CG2 3.29Å; V123-V127 WeakPolarHBondContact O-CG2 3.44Å; V123-V127 PolarHBondContact O-N 2.72Å; V123-F155 HydrophobicContact CG2-CZ 4.22Å; V123-V169 HydrophobicContact CG1-CB 3.84Å; V123-V169 HydrophobicContact CG1-CG1 3.82Å; V123-V169 HydrophobicContact CG1-CG2 4.26Å; V123-V169 HydrophobicContact CG2-CG1 3.85Å
124	E	94.9	Very high	93.2	Very high	90 Å²	90	64.2 Å²	64.2	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-56	-50.5	178.9	-176.2	175	-177.9	0	0	111.5	L120 F121 V127 Q128 N162	L120-E124 WeakPolarHBondContact O-CB 3.48Å; L120-E124 PolarHBondContact O-N 3Å; F121-E124 PolarHBondContact O-N 3.5Å; E124-V127 PolarHBondContact O-N 2.76Å; E124-Q128 WeakPolarHBondContact O-CB 3.48Å; E124-Q128 PolarHBondContact O-N 2.86Å; E124-N162 PolarHBondContact O-ND2 3.46Å; E124-N162 VanDerWaalsContact O-ND2 3.08Å
125	W	95.3	Very high	92.4	Very high	87 Å²	87	64 Å²	64	33%	0.33	32%	0.321	S	S	.	.	H	α-helix	trans	-68.4	-35.5	179.1	-62.3	-26.2	0	0	0	112.9	L45 L46 A49 F121 V123 V127 Q128 A129	L45-W125 WeakPolarHBondContact O-CB 3.22Å; L46-W125 VanDerWaalsContact C-CE3 3.48Å; L46-W125 VanDerWaalsContact O-CE3 3.23Å; L46-W125 WeakPolarHBondContact O-CZ3 3.39Å; A49-W125 HydrophobicContact CB-CE3 4.08Å; A49-W125 HydrophobicContact CB-CH2 4.09Å; A49-W125 HydrophobicContact CB-CZ3 3.38Å; F121-W125 HydrophobicContact CB-CD2 4.49Å; F121-W125 HydrophobicContact CB-CE3 4.35Å; F121-W125 HydrophobicContact CB-CH2 4.24Å; F121-W125 HydrophobicContact CB-CZ2 4.34Å; F121-W125 HydrophobicContact CB-CZ3 4.24Å; F121-W125 HydrophobicContact CD1-CZ2 4.17Å; F121-W125 HydrophobicContact CG-CZ2 4.49Å; F121-W125 WeakPolarHBondContact O-CB 3.47Å; F121-W125 PolarHBondContact O-N 2.91Å; V123-W125 PolarHBondContact O-N 3.05Å; W125-V127 VanDerWaalsContact C-N 3.34Å; W125-V127 PolarHBondContact O-N 2.79Å; W125-Q128 PolarHBondContact O-N 3.2Å; W125-A129 WeakPolarHBondContact O-CB 3.43Å; W125-A129 PolarHBondContact O-N 3.24Å
126	S	94.8	Very high	92.1	Very high	3 Å²	3	65.6 Å²	65.6	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-39.9	173.5	-63.4	0	0	0	0	112.3	L46 N122 V123 R130 N154	L46-S126 VanDerWaalsContact CD2-OG 3.28Å; L46-S126 WeakPolarHBondContact CD2-OG 3.44Å; N122-S126 VanDerWaalsContact O-CB 3.25Å; N122-S126 WeakPolarHBondContact O-CB 3.33Å; N122-S126 PolarHBondContact O-N 3.28Å; N122-S126 PolarHBondContact O-OG 3.5Å; V123-S126 PolarHBondContact O-N 2.55Å; S126-R130 PolarHBondContact O-N 2.75Å; S126-N154 WeakPolarHBondContact CB-OD1 3.43Å; S126-N154 PolarHBondContact O-ND2 3.08Å
127	V	95.1	Very high	91.9	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-69.5	-44	176.4	172.6	0	0	0	0	110.3	V123 E124 W125 A129 R130 V131 V156 I160 N162 V169	V123-V127 HydrophobicContact CG1-CG2 4.36Å; V123-V127 VanDerWaalsContact O-CG2 3.29Å; V123-V127 WeakPolarHBondContact O-CG2 3.44Å; V123-V127 PolarHBondContact O-N 2.72Å; E124-V127 PolarHBondContact O-N 2.76Å; W125-V127 VanDerWaalsContact C-N 3.34Å; W125-V127 PolarHBondContact O-N 2.79Å; V127-A129 PolarHBondContact O-N 2.88Å; V127-R130 WeakPolarHBondContact O-CB 3.37Å; V127-R130 PolarHBondContact O-N 2.95Å; V127-R130 VanDerWaalsContact O-N 3.08Å; V127-V131 PolarHBondContact O-N 3.43Å; V127-V156 HydrophobicContact CG2-CG1 4.11Å; V127-V156 HydrophobicContact CG2-CG2 4.21Å; V127-I160 WeakPolarHBondContact CG1-O 3.26Å; V127-N162 WeakPolarHBondContact CB-OD1 3.4Å; V127-N162 VanDerWaalsContact CG1-OD1 3.25Å; V127-N162 WeakPolarHBondContact CG1-OD1 3.43Å; V127-V169 HydrophobicContact CG2-CG2 4.34Å
128	Q	93.7	Very high	91.7	Very high	112 Å²	112	61.1 Å²	61.1	52%	0.523	31%	0.309	S	S	.	.	H	α-helix	trans	-59.4	-47.4	178.4	-174.4	174.3	3.2	0	0	111.6	E124 W125 R130 V131 E132	E124-Q128 WeakPolarHBondContact O-CB 3.48Å; E124-Q128 PolarHBondContact O-N 2.86Å; W125-Q128 PolarHBondContact O-N 3.2Å; Q128-R130 PolarHBondContact O-N 3.47Å; Q128-V131 PolarHBondContact O-N 2.75Å; Q128-E132 PolarHBondContact O-N 2.78Å
129	A	92.9	Very high	91.4	Very high	5 Å²	5	61.4 Å²	61.4	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-61.3	-17.9	177.5	0	0	0	0	0	113.7	L45 W125 V127 A138 S142	L45-A129 HydrophobicContact CD2-CB 3.79Å; W125-A129 WeakPolarHBondContact O-CB 3.43Å; W125-A129 PolarHBondContact O-N 3.24Å; V127-A129 PolarHBondContact O-N 2.88Å; A129-A138 HydrophobicContact CB-CB 4.34Å; A129-S142 WeakPolarHBondContact O-CB 3.29Å; A129-S142 PolarHBondContact O-OG 2.98Å; A129-S142 VanDerWaalsContact O-OG 3.05Å
130	R	92.6	Very high	91.2	Very high	36 Å²	36	61.8 Å²	61.8	14%	0.136	32%	0.316	C	S	.	.	H	α-helix	trans	-85.7	-24.4	176.2	-169.6	62.5	179.7	-179	3.5	113.1	S126 V127 Q128 S142 D146 R157	S126-R130 PolarHBondContact O-N 2.75Å; V127-R130 WeakPolarHBondContact O-CB 3.37Å; V127-R130 PolarHBondContact O-N 2.95Å; V127-R130 VanDerWaalsContact O-N 3.08Å; Q128-R130 PolarHBondContact O-N 3.47Å; R130-S142 VanDerWaalsContact CA-OG 3.28Å; R130-S142 WeakPolarHBondContact CA-OG 3.31Å; R130-S142 PolarHBondContact N-OG 3.29Å; R130-S142 PolarHBondContact NH1-O 3.13Å; R130-D146 IonicContact CZ-OD1 3.61Å; R130-D146 IonicContact CZ-OD2 3.32Å; R130-D146 VanDerWaalsContact CZ-OD2 3.32Å; R130-D146 IonicContact NH1-OD1 3.38Å; R130-D146 PolarHBondContact NH1-OD1 3.18Å; R130-D146 IonicContact NH1-OD2 2.86Å; R130-D146 PolarHBondContact NH1-OD2 3.19Å; R130-D146 VanDerWaalsContact NH2-CG 3.3Å; R130-D146 IonicContact NH2-OD1 2.93Å; R130-D146 PolarHBondContact NH2-OD1 3.37Å; R130-D146 IonicContact NH2-OD2 2.87Å; R130-D146 PolarHBondContact NH2-OD2 2.94Å; R130-R157 PolarHBondContact NE-O 3.38Å; R130-R157 PolarHBondContact NH2-O 2.86Å
131	V	91	Very high	91.1	Very high	68 Å²	68	56.4 Å²	56.4	41%	0.412	29%	0.288	S	S	.	.	H	α-helix	trans	-99.9	-13.5	179.2	-175.2	0	0	0	0	111.7	V127 Q128 T159 P161	V127-V131 PolarHBondContact O-N 3.43Å; Q128-V131 PolarHBondContact O-N 2.75Å; V131-T159 HydrophobicContact CG2-CG2 4.04Å; V131-P161 HydrophobicContact CG2-CB 4.49Å
132	E	87	Confident	90.9	Very high	75 Å²	75	52.1 Å²	52.1	35%	0.35	27%	0.269	S	S	.	.	S	Bend	trans	-56.9	147.1	178.3	-160.8	174.2	159.7	0	0	113.1	Q128 T136 A138 A139	Q128-E132 PolarHBondContact O-N 2.78Å; E132-T136 WeakPolarHBondContact OE1-CB 3.47Å; E132-T136 VanDerWaalsContact OE1-CG2 3.24Å; E132-T136 WeakPolarHBondContact OE1-CG2 3.44Å; E132-T136 PolarHBondContact OE1-OG1 3.36Å; E132-A138 WeakPolarHBondContact OE2-CB 3.25Å; E132-A139 HydrophobicContact CB-CB 4.45Å
133	E	79.3	Confident	90.7	Very high	168 Å²	168	54.5 Å²	54.5	79%	0.785	29%	0.286	S	S	*	.			trans	-62.5	144.5	-177.5	-68.5	-175.9	176.8	0	0	112.4	G135 A139	E133-G135 PolarHBondContact O-N 2.91Å; E133-G135 VanDerWaalsContact O-N 3.09Å; E133-A139 WeakPolarHBondContact O-CB 3.33Å
134	K	76.2	Confident	90.5	Very high	214 Å²	214	54 Å²	54	93%	0.93	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	113	178.6	-66.1	-175.4	-179.8	-179.4	0	109.3
135	G	81.3	Confident	90.2	Very high	54 Å²	54	50.5 Å²	50.5	56%	0.557	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.4	-17	178.4	0	0	0	0	0	114.2	E133 F248	E133-G135 PolarHBondContact O-N 2.91Å; E133-G135 VanDerWaalsContact O-N 3.09Å; G135-F248 WeakPolarHBondContact O-CZ 3.34Å
136	T	90.9	Very high	89.8	Confident	52 Å²	52	50.3 Å²	50.3	32%	0.319	28%	0.276	S	S	.	.	S	Bend	trans	-93.2	153.8	175.6	72.8	0	0	0	0	111.9	E132 A138 A139 V140	E132-T136 WeakPolarHBondContact OE1-CB 3.47Å; E132-T136 VanDerWaalsContact OE1-CG2 3.24Å; E132-T136 WeakPolarHBondContact OE1-CG2 3.44Å; E132-T136 PolarHBondContact OE1-OG1 3.36Å; T136-A138 PolarHBondContact O-N 3.47Å; T136-A139 PolarHBondContact O-N 2.68Å; T136-A139 PolarHBondContact OG1-N 2.8Å; T136-V140 PolarHBondContact O-N 2.92Å; T136-V140 VanDerWaalsContact O-N 3.11Å
137	L	91.3	Very high	89.4	Confident	29 Å²	29	54.9 Å²	54.9	15%	0.152	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-37	174.6	175.4	61.2	0	0	0	111.4	Y41 V44 V140 L141 A245 F248 W251	Y41-L137 HydrophobicContact CE1-CD1 4.34Å; Y41-L137 HydrophobicContact CE1-CD2 4.37Å; V44-L137 HydrophobicContact CG1-CD2 3.99Å; V44-L137 HydrophobicContact CG1-CG 4.15Å; V44-L137 HydrophobicContact CG2-CD2 4.22Å; L137-V140 PolarHBondContact O-N 2.93Å; L137-L141 HydrophobicContact CD1-CD1 3.99Å; L137-L141 HydrophobicContact CD1-CG 4.02Å; L137-L141 HydrophobicContact CG-CD1 3.83Å; L137-L141 HydrophobicContact CG-CG 4.33Å; L137-L141 WeakPolarHBondContact O-CB 3.34Å; L137-L141 VanDerWaalsContact O-CG 3.22Å; L137-L141 WeakPolarHBondContact O-CG 3.34Å; L137-L141 PolarHBondContact O-N 3.08Å; L137-A245 HydrophobicContact CD2-CB 4.17Å; L137-F248 HydrophobicContact CB-CD1 4.28Å; L137-F248 HydrophobicContact CB-CD2 4.49Å; L137-F248 HydrophobicContact CB-CE1 4.43Å; L137-F248 HydrophobicContact CB-CG 4.32Å; L137-F248 HydrophobicContact CD1-CB 3.66Å; L137-F248 HydrophobicContact CD1-CD1 4.42Å; L137-F248 HydrophobicContact CD1-CD2 4.4Å; L137-F248 HydrophobicContact CD1-CG 3.92Å; L137-W251 HydrophobicContact CD1-CH2 3.59Å; L137-W251 HydrophobicContact CD1-CZ2 4.07Å; L137-W251 HydrophobicContact CD1-CZ3 4.32Å
138	A	92.3	Very high	88.5	Confident	14 Å²	14	60.5 Å²	60.5	12%	0.116	34%	0.337	C	S	.	.	H	α-helix	trans	-63.1	-44.8	177.3	0	0	0	0	0	112	L45 A129 E132 T136 V140 L141 S142	L45-A138 HydrophobicContact CD2-CB 3.85Å; A129-A138 HydrophobicContact CB-CB 4.34Å; E132-A138 WeakPolarHBondContact OE2-CB 3.25Å; T136-A138 PolarHBondContact O-N 3.47Å; A138-V140 PolarHBondContact O-N 3.49Å; A138-L141 PolarHBondContact O-N 2.88Å; A138-S142 WeakPolarHBondContact O-CB 3.48Å; A138-S142 PolarHBondContact O-N 3.19Å
139	A	91.3	Very high	87.9	Confident	12 Å²	12	63.5 Å²	63.5	10%	0.099	36%	0.356	C	S	.	.	H	α-helix	trans	-62.1	-42.5	175.8	0	0	0	0	0	112.1	E132 E133 T136 S142 S143	E132-A139 HydrophobicContact CB-CB 4.45Å; E133-A139 WeakPolarHBondContact O-CB 3.33Å; T136-A139 PolarHBondContact O-N 2.68Å; T136-A139 PolarHBondContact OG1-N 2.8Å; A139-S142 PolarHBondContact O-N 2.99Å; A139-S143 PolarHBondContact O-N 3.37Å; A139-S143 PolarHBondContact O-OG 3Å
140	V	91.9	Very high	87.6	Confident	42 Å²	42	66.5 Å²	66.5	26%	0.255	37%	0.369	S	S	.	.	H	α-helix	trans	-61.9	-52.1	175.9	174.5	0	0	0	0	110.7	T136 L137 A138 S142 S143 L144 F248 W251	T136-V140 PolarHBondContact O-N 2.92Å; T136-V140 VanDerWaalsContact O-N 3.11Å; L137-V140 PolarHBondContact O-N 2.93Å; A138-V140 PolarHBondContact O-N 3.49Å; V140-S142 PolarHBondContact O-N 2.56Å; V140-S143 PolarHBondContact O-N 2.76Å; V140-S143 VanDerWaalsContact O-N 3.09Å; V140-S143 PolarHBondContact O-OG 3.04Å; V140-L144 PolarHBondContact O-N 3.3Å; V140-F248 HydrophobicContact CG2-CD2 4Å; V140-F248 HydrophobicContact CG2-CE2 4.22Å; V140-W251 HydrophobicContact CG1-CE3 4.17Å; V140-W251 HydrophobicContact CG1-CZ3 4.14Å
141	L	93.1	Very high	87.6	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-59.2	-33.8	177.9	-72.1	169.8	0	0	0	113.4	Y41 V44 L45 L137 A138 L144 L153 W251 F262	Y41-L141 HydrophobicContact CD1-CD1 3.76Å; Y41-L141 HydrophobicContact CD1-CD2 3.84Å; Y41-L141 HydrophobicContact CD1-CG 4.37Å; Y41-L141 HydrophobicContact CG-CD1 4.29Å; Y41-L141 HydrophobicContact CG-CD2 3.91Å; V44-L141 HydrophobicContact CB-CD1 4.18Å; V44-L141 HydrophobicContact CG1-CD1 4.04Å; L45-L141 HydrophobicContact CD1-CB 4.35Å; L45-L141 HydrophobicContact CD2-CB 4.21Å; L45-L141 HydrophobicContact CG-CB 4.44Å; L137-L141 HydrophobicContact CD1-CD1 3.99Å; L137-L141 HydrophobicContact CD1-CG 4.02Å; L137-L141 HydrophobicContact CG-CD1 3.83Å; L137-L141 HydrophobicContact CG-CG 4.33Å; L137-L141 WeakPolarHBondContact O-CB 3.34Å; L137-L141 VanDerWaalsContact O-CG 3.22Å; L137-L141 WeakPolarHBondContact O-CG 3.34Å; L137-L141 PolarHBondContact O-N 3.08Å; A138-L141 PolarHBondContact O-N 2.88Å; L141-L144 HydrophobicContact CD2-CD1 4.17Å; L141-L153 HydrophobicContact CB-CD2 4.29Å; L141-L153 HydrophobicContact CD1-CD2 4.43Å; L141-L153 HydrophobicContact CD2-CD2 4.16Å; L141-W251 HydrophobicContact CD2-CH2 3.95Å; L141-W251 HydrophobicContact CD2-CZ3 3.97Å; L141-F262 HydrophobicContact CD2-CE2 4.46Å; L141-F262 HydrophobicContact CD2-CZ 4.06Å
142	S	93.3	Very high	87.7	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.007	37%	0.365	C	S	.	.	H	α-helix	trans	-73.7	-27.1	178.7	-171.8	0	0	0	0	113.1	A129 R130 A138 A139 V140 N154	A129-S142 WeakPolarHBondContact O-CB 3.29Å; A129-S142 PolarHBondContact O-OG 2.98Å; A129-S142 VanDerWaalsContact O-OG 3.05Å; R130-S142 VanDerWaalsContact CA-OG 3.28Å; R130-S142 WeakPolarHBondContact CA-OG 3.31Å; R130-S142 PolarHBondContact N-OG 3.29Å; R130-S142 PolarHBondContact NH1-O 3.13Å; A138-S142 WeakPolarHBondContact O-CB 3.48Å; A138-S142 PolarHBondContact O-N 3.19Å; A139-S142 PolarHBondContact O-N 2.99Å; V140-S142 PolarHBondContact O-N 2.56Å; S142-N154 PolarHBondContact OG-ND2 3.17Å
143	S	91	Very high	88.1	Confident	54 Å²	54	63 Å²	63	38%	0.378	35%	0.35	S	S	.	.	H	α-helix	trans	-85.5	-21.7	178.6	58.5	0	0	0	0	114.6	A139 V140 G145 D146	A139-S143 PolarHBondContact O-N 3.37Å; A139-S143 PolarHBondContact O-OG 3Å; V140-S143 PolarHBondContact O-N 2.76Å; V140-S143 VanDerWaalsContact O-N 3.09Å; V140-S143 PolarHBondContact O-OG 3.04Å; S143-G145 PolarHBondContact O-N 2.87Å; S143-D146 PolarHBondContact O-N 3.21Å
144	L	91.1	Very high	88.8	Confident	16 Å²	16	55.1 Å²	55.1	8%	0.084	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	134.6	175.4	-66.4	178.2	0	0	0	111.9	V140 L141 Y152 R157 I259 P260 F262	V140-L144 PolarHBondContact O-N 3.3Å; L141-L144 HydrophobicContact CD2-CD1 4.17Å; L144-Y152 WeakPolarHBondContact O-CB 3.34Å; L144-R157 PolarHBondContact O-NH1 2.86Å; L144-R157 PolarHBondContact O-NH2 3.31Å; L144-I259 HydrophobicContact CD2-CG2 3.72Å; L144-P260 HydrophobicContact CD1-CG 4.2Å; L144-F262 HydrophobicContact CD1-CE2 3.75Å
145	G	88.2	Confident	89.6	Confident	18 Å²	18	45.9 Å²	45.9	19%	0.186	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	7.8	178.9	0	0	0	0	0	115.6	S143 N147 E150 S151 R157	S143-G145 PolarHBondContact O-N 2.87Å; G145-N147 VanDerWaalsContact C-N 3.29Å; G145-E150 PolarHBondContact N-OE2 3.3Å; G145-S151 PolarHBondContact N-O 3.44Å; G145-R157 PolarHBondContact O-NH2 2.9Å
146	D	87.3	Confident	90.1	Very high	83 Å²	83	43.5 Å²	43.5	44%	0.444	25%	0.248	S	C	.	.			trans	-76	-22.9	175.1	-79.9	-26	0	0	0	111.5	R130 S143 R157	R130-D146 IonicContact CZ-OD1 3.61Å; R130-D146 IonicContact CZ-OD2 3.32Å; R130-D146 VanDerWaalsContact CZ-OD2 3.32Å; R130-D146 IonicContact NH1-OD1 3.38Å; R130-D146 PolarHBondContact NH1-OD1 3.18Å; R130-D146 IonicContact NH1-OD2 2.86Å; R130-D146 PolarHBondContact NH1-OD2 3.19Å; R130-D146 VanDerWaalsContact NH2-CG 3.3Å; R130-D146 IonicContact NH2-OD1 2.93Å; R130-D146 PolarHBondContact NH2-OD1 3.37Å; R130-D146 IonicContact NH2-OD2 2.87Å; R130-D146 PolarHBondContact NH2-OD2 2.94Å; S143-D146 PolarHBondContact O-N 3.21Å; D146-R157 VanDerWaalsContact CG-NH2 3.27Å; D146-R157 IonicContact OD1-CZ 3.49Å; D146-R157 IonicContact OD1-NE 3.65Å; D146-R157 IonicContact OD1-NH2 3.7Å; D146-R157 PolarHBondContact OD1-NH2 2.76Å; D146-R157 IonicContact OD2-NH2 2.95Å
147	N	85.7	Confident	90.1	Very high	98 Å²	98	43.9 Å²	43.9	52%	0.524	24%	0.244	S	C	.	.	S	Bend	trans	-89.4	150	173	-58.7	-46.4	0	0	0	111.5	G145 E150	G145-N147 VanDerWaalsContact C-N 3.29Å; N147-E150 HydrophobicContact CB-CG 4.24Å; N147-E150 PolarHBondContact ND2-OE1 3.22Å; N147-E150 PolarHBondContact O-N 3.28Å
148	P	78.2	Confident	90	Very high	119 Å²	119	47.8 Å²	47.8	77%	0.773	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	140.7	173.2	24.2	-31.7	0	0	0	111.1	E150	P148-E150 VanDerWaalsContact C-N 3.31Å; P148-E150 PolarHBondContact O-N 3.08Å
149	N	80.3	Confident	90	Very high	175 Å²	175	51.5 Å²	51.5	94%	0.936	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	4.6	-177.2	-55.8	-27.9	0	0	0	117.1
150	E	86.8	Confident	90.1	Very high	68 Å²	68	53 Å²	53	32%	0.318	29%	0.287	S	S	.	.			trans	-88.9	143.4	169.4	-75.3	178.3	-165.7	0	0	111.7	G145 N147 P148	G145-E150 PolarHBondContact N-OE2 3.3Å; N147-E150 HydrophobicContact CB-CG 4.24Å; N147-E150 PolarHBondContact ND2-OE1 3.22Å; N147-E150 PolarHBondContact O-N 3.28Å; P148-E150 VanDerWaalsContact C-N 3.31Å; P148-E150 PolarHBondContact O-N 3.08Å
151	S	92.4	Very high	90.1	Very high	23 Å²	23	54.8 Å²	54.8	16%	0.161	30%	0.299	C	S	.	.			trans	-81.1	153.9	167.6	70.8	0	0	0	0	111.3	G145 Q261 F262	G145-S151 PolarHBondContact N-O 3.44Å; S151-Q261 WeakPolarHBondContact OG-CA 3.38Å; S151-Q261 PolarHBondContact OG-OE1 3.47Å; S151-F262 WeakPolarHBondContact CB-O 3.45Å; S151-F262 PolarHBondContact OG-N 3.01Å
152	Y	93.4	Very high	90	Very high	76 Å²	76	57.6 Å²	57.6	30%	0.298	31%	0.314	S	S	.	.			trans	-118.9	150.4	-179.9	63.1	-85	0	0	0	111.7	L144 N154 F155 R157 R229 F262	L144-Y152 WeakPolarHBondContact O-CB 3.34Å; Y152-N154 WeakPolarHBondContact CD2-O 3.23Å; Y152-F155 HydrophobicContact CE2-CB 4.27Å; Y152-R157 VanDerWaalsContact CB-NH1 3.27Å; Y152-R229 VanDerWaalsContact CE2-CD 3.41Å; Y152-R229 VanDerWaalsContact O-CD 3.3Å; Y152-R229 WeakPolarHBondContact O-CD 3.42Å; Y152-R229 PolarHBondContact O-NE 3.45Å; Y152-R229 PolarHBondContact OH-NH1 3.29Å; Y152-R229 VanDerWaalsContact OH-NH1 3.12Å; Y152-F262 VanDerWaalsContact O-CB 3.29Å; Y152-F262 WeakPolarHBondContact O-CB 3.29Å
153	L	94.6	Very high	90	Very high	6 Å²	6	62.8 Å²	62.8	3%	0.031	35%	0.348	C	S	.	.	S	Bend	trans	-98.1	-54.4	168.2	179.1	59.9	0	0	0	111.1	T42 L45 L141 F155 R229 F262	T42-L153 HydrophobicContact CG2-CD1 4.26Å; L45-L153 HydrophobicContact CD1-CD2 3.6Å; L45-L153 HydrophobicContact CD1-CG 3.79Å; L45-L153 HydrophobicContact CG-CD2 4.23Å; L141-L153 HydrophobicContact CB-CD2 4.29Å; L141-L153 HydrophobicContact CD1-CD2 4.43Å; L141-L153 HydrophobicContact CD2-CD2 4.16Å; L153-F155 PolarHBondContact O-N 3.49Å; L153-R229 HydrophobicContact CD1-CB 4.19Å; L153-F262 HydrophobicContact CB-CD1 4.14Å; L153-F262 HydrophobicContact CB-CD2 3.81Å; L153-F262 HydrophobicContact CB-CE1 4.25Å; L153-F262 HydrophobicContact CB-CE2 3.91Å; L153-F262 HydrophobicContact CB-CG 3.92Å; L153-F262 HydrophobicContact CB-CZ 4.13Å; L153-F262 HydrophobicContact CD1-CD1 3.7Å; L153-F262 HydrophobicContact CD1-CE1 3.95Å; L153-F262 HydrophobicContact CD1-CG 4.19Å; L153-F262 HydrophobicContact CD2-CD1 4.5Å; L153-F262 HydrophobicContact CD2-CE1 3.97Å; L153-F262 HydrophobicContact CD2-CZ 3.99Å; L153-F262 HydrophobicContact CG-CD1 4.32Å; L153-F262 HydrophobicContact CG-CE1 4.27Å; L153-F262 HydrophobicContact CG-CZ 4.47Å
154	N	94.5	Very high	90.2	Very high	3 Å²	3	64.6 Å²	64.6	2%	0.016	36%	0.357	C	S	.	.			trans	-76	119	178.6	-169.2	-2.9	0	0	0	110.8	L45 S126 S142 Y152 V156 R157	L45-N154 HydrophobicContact CD1-CB 4.18Å; S126-N154 WeakPolarHBondContact CB-OD1 3.43Å; S126-N154 PolarHBondContact O-ND2 3.08Å; S142-N154 PolarHBondContact OG-ND2 3.17Å; Y152-N154 WeakPolarHBondContact CD2-O 3.23Å; N154-V156 VanDerWaalsContact C-N 3.27Å; N154-V156 PolarHBondContact O-N 3.31Å; N154-V156 WeakPolarHBondContact OD1-CB 3.45Å; N154-V156 PolarHBondContact OD1-N 3.18Å; N154-R157 WeakPolarHBondContact O-CD 3.41Å; N154-R157 PolarHBondContact O-NH1 3.44Å; N154-R157 VanDerWaalsContact O-NH1 3.09Å
155	F	92.4	Very high	90.3	Very high	21 Å²	21	64 Å²	64	9%	0.092	35%	0.354	C	S	.	.	S	Bend	trans	-73.8	-20.3	178.4	67.9	-91.3	0	0	0	112.3	V123 Y152 L153 R157 V169 Y173 I227	V123-F155 HydrophobicContact CG2-CZ 4.22Å; Y152-F155 HydrophobicContact CE2-CB 4.27Å; L153-F155 PolarHBondContact O-N 3.49Å; F155-R157 PolarHBondContact O-N 3.19Å; F155-V169 HydrophobicContact CE2-CG1 3.7Å; F155-V169 HydrophobicContact CE2-CG2 4.37Å; F155-V169 HydrophobicContact CZ-CG1 4.31Å; F155-Y173 AromaticContact CD2-CD1 3.93Å; F155-Y173 HydrophobicContact CD2-CD1 3.93Å; F155-Y173 AromaticContact CD2-CE1 3.78Å; F155-Y173 HydrophobicContact CD2-CE1 3.78Å; F155-Y173 HydrophobicContact CE2-CD1 4.49Å; F155-Y173 WeakPolarHBondContact O-CE1 3.23Å; F155-Y173 PolarHBondContact O-OH 2.75Å; F155-I227 HydrophobicContact CB-CB 4.45Å; F155-I227 HydrophobicContact CB-CG2 4.48Å; F155-I227 HydrophobicContact CD1-CB 4.2Å; F155-I227 HydrophobicContact CD2-CG2 4.48Å; F155-I227 HydrophobicContact CG-CB 4.17Å; F155-I227 HydrophobicContact CG-CG2 4.35Å
156	V	92.9	Very high	90.5	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.024	35%	0.353	C	S	.	.			trans	-78	108.8	175	-176.2	0	0	0	0	109.2	V127 N154 V169	V127-V156 HydrophobicContact CG2-CG1 4.11Å; V127-V156 HydrophobicContact CG2-CG2 4.21Å; N154-V156 VanDerWaalsContact C-N 3.27Å; N154-V156 PolarHBondContact O-N 3.31Å; N154-V156 WeakPolarHBondContact OD1-CB 3.45Å; N154-V156 PolarHBondContact OD1-N 3.18Å; V156-V169 HydrophobicContact CG1-CG2 4.37Å; V156-V169 HydrophobicContact CG2-CG2 3.72Å
157	R	90.4	Very high	90.8	Very high	60 Å²	60	65.1 Å²	65.1	23%	0.226	36%	0.359	C	S	.	.			trans	-98	-20.4	-176	-53.6	-49	-59.2	-178.7	-3.3	114.7	R130 L144 G145 D146 Y152 N154 F155	R130-R157 PolarHBondContact NE-O 3.38Å; R130-R157 PolarHBondContact NH2-O 2.86Å; L144-R157 PolarHBondContact O-NH1 2.86Å; L144-R157 PolarHBondContact O-NH2 3.31Å; G145-R157 PolarHBondContact O-NH2 2.9Å; D146-R157 VanDerWaalsContact CG-NH2 3.27Å; D146-R157 IonicContact OD1-CZ 3.49Å; D146-R157 IonicContact OD1-NE 3.65Å; D146-R157 IonicContact OD1-NH2 3.7Å; D146-R157 PolarHBondContact OD1-NH2 2.76Å; D146-R157 IonicContact OD2-NH2 2.95Å; Y152-R157 VanDerWaalsContact CB-NH1 3.27Å; N154-R157 WeakPolarHBondContact O-CD 3.41Å; N154-R157 PolarHBondContact O-NH1 3.44Å; N154-R157 VanDerWaalsContact O-NH1 3.09Å; F155-R157 PolarHBondContact O-N 3.19Å
158	K	89.6	Confident	91.2	Very high	110 Å²	110	63.9 Å²	63.9	48%	0.478	35%	0.347	S	S	.	.	S	Bend	trans	-92.3	136.8	180	-66.3	-167.9	177.9	178.2	0	110.9	I160 Y168	K158-I160 HydrophobicContact CB-CD1 3.85Å; K158-I160 HydrophobicContact CB-CG1 3.99Å; K158-I160 HydrophobicContact CD-CD1 4.05Å; K158-I160 PolarHBondContact O-N 2.96Å; K158-I160 VanDerWaalsContact O-N 3.11Å; K158-Y168 HydrophobicContact CD-CE1 3.84Å; K158-Y168 VanDerWaalsContact CE-OH 3.29Å; K158-Y168 WeakPolarHBondContact CE-OH 3.28Å; K158-Y168 HydrophobicContact CG-CE1 4.4Å; K158-Y168 PolarHBondContact NZ-OH 2.79Å
159	T	92.1	Very high	91.9	Very high	92 Å²	92	58.4 Å²	58.4	56%	0.564	31%	0.312	S	S	*	.			trans	-84.8	80.4	176.4	-50.8	0	0	0	0	109.6	V131	V131-T159 HydrophobicContact CG2-CG2 4.04Å
160	I	92.6	Very high	92.4	Very high	44 Å²	44	51.4 Å²	51.4	23%	0.226	28%	0.278	C	S	.	.			trans	-123.5	122.5	179	-57	170.7	0	0	0	107.3	V127 K158 V164 Y168	V127-I160 WeakPolarHBondContact CG1-O 3.26Å; K158-I160 HydrophobicContact CB-CD1 3.85Å; K158-I160 HydrophobicContact CB-CG1 3.99Å; K158-I160 HydrophobicContact CD-CD1 4.05Å; K158-I160 PolarHBondContact O-N 2.96Å; K158-I160 VanDerWaalsContact O-N 3.11Å; I160-V164 HydrophobicContact CG2-CB 3.93Å; I160-V164 HydrophobicContact CG2-CG1 3.82Å; I160-Y168 HydrophobicContact CD1-CD1 4.28Å; I160-Y168 HydrophobicContact CD1-CG 4.24Å
161	P	92.9	Very high	92.7	Very high	79 Å²	79	53.5 Å²	53.5	51%	0.513	29%	0.286	S	S	.	.			trans	-68.9	155.5	-179.2	28.5	-34.5	0	0	0	112.8	V131 V164 G165	V131-P161 HydrophobicContact CG2-CB 4.49Å; P161-V164 PolarHBondContact O-N 3.16Å; P161-G165 PolarHBondContact O-N 3.02Å
162	N	91.3	Very high	92.7	Very high	60 Å²	60	56 Å²	56	32%	0.321	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	148	170	-75.2	-39	0	0	0	110.7	E124 V127 G166	E124-N162 PolarHBondContact O-ND2 3.46Å; E124-N162 VanDerWaalsContact O-ND2 3.08Å; V127-N162 WeakPolarHBondContact CB-OD1 3.4Å; V127-N162 VanDerWaalsContact CG1-OD1 3.25Å; V127-N162 WeakPolarHBondContact CG1-OD1 3.43Å; N162-G166 PolarHBondContact OD1-N 3.03Å
163	P	92.9	Very high	92.7	Very high	110 Å²	110	54.7 Å²	54.7	71%	0.714	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	cis	-84	-10.3	4.5	33.3	-36	0	0	0	114.7	G165 G166 L167	P163-G165 PolarHBondContact O-N 3.36Å; P163-G166 PolarHBondContact O-N 3.03Å; P163-L167 PolarHBondContact O-N 3.48Å; P163-L167 VanDerWaalsContact O-N 3.09Å
164	V	94.5	Very high	92.7	Very high	92 Å²	92	58.2 Å²	58.2	56%	0.558	31%	0.314	S	S	*	.	H	α-helix	trans	-64.3	-39.7	-174.6	-176.1	0	0	0	0	111.6	I160 P161 L167 Y168	I160-V164 HydrophobicContact CG2-CB 3.93Å; I160-V164 HydrophobicContact CG2-CG1 3.82Å; P161-V164 PolarHBondContact O-N 3.16Å; V164-L167 PolarHBondContact O-N 3.48Å; V164-Y168 WeakPolarHBondContact O-CB 3.41Å; V164-Y168 PolarHBondContact O-N 3.24Å
165	G	92.6	Very high	92.6	Very high	3 Å²	3	58.5 Å²	58.5	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-61.7	-45	176.7	0	0	0	0	0	112.7	P161 P163 Y168 V169	P161-G165 PolarHBondContact O-N 3.02Å; P163-G165 PolarHBondContact O-N 3.36Å; G165-Y168 WeakPolarHBondContact O-CB 3.5Å; G165-Y168 PolarHBondContact O-N 3.04Å; G165-V169 WeakPolarHBondContact O-CG2 3.35Å; G165-V169 PolarHBondContact O-N 2.82Å
166	G	93.3	Very high	92.7	Very high	15 Å²	15	58.4 Å²	58.4	16%	0.155	32%	0.322	C	S	.	.	H	α-helix	trans	-61.7	-43.2	175.1	0	0	0	0	0	112.9	N162 P163 V169 A170	N162-G166 PolarHBondContact OD1-N 3.03Å; P163-G166 PolarHBondContact O-N 3.03Å; G166-V169 WeakPolarHBondContact O-CB 3.36Å; G166-V169 PolarHBondContact O-N 3.37Å; G166-A170 PolarHBondContact O-N 2.94Å
167	L	93.6	Very high	92.8	Very high	109 Å²	109	61.7 Å²	61.7	57%	0.571	34%	0.339	S	S	*	.	H	α-helix	trans	-64	-42	176.1	-166	72.5	0	0	0	111.7	P163 V164 V169 A170 F171	P163-L167 PolarHBondContact O-N 3.48Å; P163-L167 VanDerWaalsContact O-N 3.09Å; V164-L167 PolarHBondContact O-N 3.48Å; L167-V169 VanDerWaalsContact C-N 3.29Å; L167-V169 PolarHBondContact O-N 3.18Å; L167-A170 PolarHBondContact O-N 3.43Å; L167-F171 HydrophobicContact CD1-CD2 3.8Å; L167-F171 HydrophobicContact CD1-CE2 3.5Å; L167-F171 HydrophobicContact CG-CD2 4Å; L167-F171 HydrophobicContact CG-CE2 4.21Å; L167-F171 WeakPolarHBondContact O-CD2 3.29Å; L167-F171 PolarHBondContact O-N 3.22Å; L167-F171 VanDerWaalsContact O-N 3.13Å
168	Y	93.9	Very high	93.1	Very high	72 Å²	72	59.2 Å²	59.2	28%	0.282	33%	0.33	S	S	.	.	H	α-helix	trans	-57.1	-45.1	174.2	178.8	-101.7	0	0	0	110.7	K158 I160 V164 G165 F171 T172 Y173	K158-Y168 HydrophobicContact CD-CE1 3.84Å; K158-Y168 VanDerWaalsContact CE-OH 3.29Å; K158-Y168 WeakPolarHBondContact CE-OH 3.28Å; K158-Y168 HydrophobicContact CG-CE1 4.4Å; K158-Y168 PolarHBondContact NZ-OH 2.79Å; I160-Y168 HydrophobicContact CD1-CD1 4.28Å; I160-Y168 HydrophobicContact CD1-CG 4.24Å; V164-Y168 WeakPolarHBondContact O-CB 3.41Å; V164-Y168 PolarHBondContact O-N 3.24Å; G165-Y168 WeakPolarHBondContact O-CB 3.5Å; G165-Y168 PolarHBondContact O-N 3.04Å; Y168-F171 PolarHBondContact O-N 3.44Å; Y168-T172 HydrophobicContact CD2-CG2 3.74Å; Y168-T172 HydrophobicContact CE2-CG2 3.53Å; Y168-T172 HydrophobicContact CG-CG2 4.42Å; Y168-T172 WeakPolarHBondContact O-CB 3.03Å; Y168-T172 WeakPolarHBondContact O-CG2 3.31Å; Y168-T172 PolarHBondContact O-N 3.05Å; Y168-T172 PolarHBondContact O-OG1 2.99Å; Y168-Y173 HydrophobicContact CD1-CE2 4.16Å; Y168-Y173 AromaticContact CE1-CE2 3.95Å; Y168-Y173 HydrophobicContact CE1-CE2 3.95Å
169	V	93	Very high	93.4	Very high	5 Å²	5	54.6 Å²	54.6	3%	0.03	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-47.6	176.1	170.8	0	0	0	0	111.7	V123 V127 F155 V156 G165 G166 L167 F171 Y173	V123-V169 HydrophobicContact CG1-CB 3.84Å; V123-V169 HydrophobicContact CG1-CG1 3.82Å; V123-V169 HydrophobicContact CG1-CG2 4.26Å; V123-V169 HydrophobicContact CG2-CG1 3.85Å; V127-V169 HydrophobicContact CG2-CG2 4.34Å; F155-V169 HydrophobicContact CE2-CG1 3.7Å; F155-V169 HydrophobicContact CE2-CG2 4.37Å; F155-V169 HydrophobicContact CZ-CG1 4.31Å; V156-V169 HydrophobicContact CG1-CG2 4.37Å; V156-V169 HydrophobicContact CG2-CG2 3.72Å; G165-V169 WeakPolarHBondContact O-CG2 3.35Å; G165-V169 PolarHBondContact O-N 2.82Å; G166-V169 WeakPolarHBondContact O-CB 3.36Å; G166-V169 PolarHBondContact O-N 3.37Å; L167-V169 VanDerWaalsContact C-N 3.29Å; L167-V169 PolarHBondContact O-N 3.18Å; V169-F171 VanDerWaalsContact C-N 3.27Å; V169-F171 PolarHBondContact O-N 3.09Å; V169-Y173 HydrophobicContact CB-CD2 4.18Å; V169-Y173 HydrophobicContact CB-CE2 4.39Å; V169-Y173 HydrophobicContact CG1-CD2 4.17Å; V169-Y173 HydrophobicContact CG1-CG 4.39Å; V169-Y173 HydrophobicContact CG2-CD2 4.2Å; V169-Y173 HydrophobicContact CG2-CE2 3.91Å; V169-Y173 WeakPolarHBondContact O-CB 3.48Å; V169-Y173 PolarHBondContact O-N 3.07Å
170	A	91.6	Very high	93.6	Very high	28 Å²	28	53.1 Å²	53.1	23%	0.231	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-34.4	-177.6	0	0	0	0	0	113.3	G166 L167 G176 L177	G166-A170 PolarHBondContact O-N 2.94Å; L167-A170 PolarHBondContact O-N 3.43Å; A170-G176 CarbonylContact O-C 3.59Å; A170-G176 VanDerWaalsContact O-CA 3.31Å; A170-G176 WeakPolarHBondContact O-CA 3.41Å; A170-L177 WeakPolarHBondContact O-CA 3.38Å; A170-L177 PolarHBondContact O-N 2.75Å
171	F	93	Very high	93.8	Very high	112 Å²	112	54.8 Å²	54.8	49%	0.491	31%	0.313	S	S	.	.	H	α-helix	trans	-108	-9.4	-173.6	-70.7	-74.1	0	0	0	115.6	L167 Y168 V169 L177 V180	L167-F171 HydrophobicContact CD1-CD2 3.8Å; L167-F171 HydrophobicContact CD1-CE2 3.5Å; L167-F171 HydrophobicContact CG-CD2 4Å; L167-F171 HydrophobicContact CG-CE2 4.21Å; L167-F171 WeakPolarHBondContact O-CD2 3.29Å; L167-F171 PolarHBondContact O-N 3.22Å; L167-F171 VanDerWaalsContact O-N 3.13Å; Y168-F171 PolarHBondContact O-N 3.44Å; V169-F171 VanDerWaalsContact C-N 3.27Å; V169-F171 PolarHBondContact O-N 3.09Å; F171-L177 HydrophobicContact CD1-CD1 4.47Å; F171-V180 HydrophobicContact CE1-CG1 4.27Å
172	T	92.5	Very high	94	Very high	75 Å²	75	51.7 Å²	51.7	46%	0.46	29%	0.292	S	S	.	.	H	α-helix	trans	-112	-26.1	179.2	64.7	0	0	0	0	114.2	Y168	Y168-T172 HydrophobicContact CD2-CG2 3.74Å; Y168-T172 HydrophobicContact CE2-CG2 3.53Å; Y168-T172 HydrophobicContact CG-CG2 4.42Å; Y168-T172 WeakPolarHBondContact O-CB 3.03Å; Y168-T172 WeakPolarHBondContact O-CG2 3.31Å; Y168-T172 PolarHBondContact O-N 3.05Å; Y168-T172 PolarHBondContact O-OG1 2.99Å
173	Y	93.2	Very high	94.3	Very high	48 Å²	48	50.3 Å²	50.3	19%	0.188	29%	0.286	C	S	.	.	S	Bend	trans	-86.9	141.1	178.9	-70.7	-111.9	0	0	0	109.7	F155 Y168 V169 A175 G176 L177	F155-Y173 AromaticContact CD2-CD1 3.93Å; F155-Y173 HydrophobicContact CD2-CD1 3.93Å; F155-Y173 AromaticContact CD2-CE1 3.78Å; F155-Y173 HydrophobicContact CD2-CE1 3.78Å; F155-Y173 HydrophobicContact CE2-CD1 4.49Å; F155-Y173 WeakPolarHBondContact O-CE1 3.23Å; F155-Y173 PolarHBondContact O-OH 2.75Å; Y168-Y173 HydrophobicContact CD1-CE2 4.16Å; Y168-Y173 AromaticContact CE1-CE2 3.95Å; Y168-Y173 HydrophobicContact CE1-CE2 3.95Å; V169-Y173 HydrophobicContact CB-CD2 4.18Å; V169-Y173 HydrophobicContact CB-CE2 4.39Å; V169-Y173 HydrophobicContact CG1-CD2 4.17Å; V169-Y173 HydrophobicContact CG1-CG 4.39Å; V169-Y173 HydrophobicContact CG2-CD2 4.2Å; V169-Y173 HydrophobicContact CG2-CE2 3.91Å; V169-Y173 WeakPolarHBondContact O-CB 3.48Å; V169-Y173 PolarHBondContact O-N 3.07Å; Y173-A175 VanDerWaalsContact C-N 3.29Å; Y173-A175 PolarHBondContact O-N 3.1Å; Y173-G176 WeakPolarHBondContact O-CA 3.42Å; Y173-G176 PolarHBondContact O-N 3.44Å; Y173-L177 PolarHBondContact O-N 3.23Å
174	L	94.5	Very high	94.5	Very high	80 Å²	80	49.9 Å²	49.9	42%	0.419	28%	0.277	S	S	.	.	H	α-helix	trans	-52	-47.3	-178.9	-179.6	63.5	0	0	0	112.3	G176 T178 A224	L174-G176 PolarHBondContact O-N 3.44Å; L174-T178 HydrophobicContact CD1-CG2 3.82Å; L174-T178 HydrophobicContact CG-CG2 4.42Å; L174-T178 VanDerWaalsContact O-CB 3.31Å; L174-T178 WeakPolarHBondContact O-CB 3.42Å; L174-T178 WeakPolarHBondContact O-CG2 3.27Å; L174-T178 PolarHBondContact O-N 3.36Å; L174-T178 PolarHBondContact O-OG1 3.01Å; L174-A224 HydrophobicContact CD2-CB 3.92Å
175	A	93.1	Very high	94.7	Very high	10 Å²	10	45.8 Å²	45.8	8%	0.083	25%	0.253	C	S	.	.	H	α-helix	trans	-64.7	-37.8	179.2	0	0	0	0	0	112.4	Y173 T178 G179 H222 I227	Y173-A175 VanDerWaalsContact C-N 3.29Å; Y173-A175 PolarHBondContact O-N 3.1Å; A175-T178 PolarHBondContact O-OG1 3.39Å; A175-G179 WeakPolarHBondContact O-CA 3.19Å; A175-G179 PolarHBondContact O-N 2.91Å; A175-H222 PolarHBondContact O-CE1 2.83Å; A175-H222 PolarHBondContact O-ND1 3.07Å; A175-H222 VanDerWaalsContact O-ND1 3.12Å; A175-I227 HydrophobicContact CB-CD1 3.67Å; A175-I227 HydrophobicContact CB-CG1 4.26Å; A175-I227 HydrophobicContact CB-CG2 4.36Å
176	G	93.9	Very high	94.9	Very high	18 Å²	18	46.5 Å²	46.5	19%	0.186	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-56.9	175.8	0	0	0	0	0	111.5	A170 Y173 L174 T178 G179 V180	A170-G176 CarbonylContact O-C 3.59Å; A170-G176 VanDerWaalsContact O-CA 3.31Å; A170-G176 WeakPolarHBondContact O-CA 3.41Å; Y173-G176 WeakPolarHBondContact O-CA 3.42Å; Y173-G176 PolarHBondContact O-N 3.44Å; L174-G176 PolarHBondContact O-N 3.44Å; G176-T178 PolarHBondContact O-N 3.38Å; G176-G179 WeakPolarHBondContact O-CA 3.46Å; G176-G179 PolarHBondContact O-N 3.46Å; G176-V180 WeakPolarHBondContact O-CG2 3.21Å; G176-V180 PolarHBondContact O-N 3.12Å
177	L	95.3	Very high	95.1	Very high	73 Å²	73	50.1 Å²	50.1	38%	0.382	27%	0.271	S	S	.	.	H	α-helix	trans	-61.1	-47.5	-174.2	-178.9	64.8	0	0	0	111.3	A170 F171 Y173 G179 V180 I181	A170-L177 WeakPolarHBondContact O-CA 3.38Å; A170-L177 PolarHBondContact O-N 2.75Å; F171-L177 HydrophobicContact CD1-CD1 4.47Å; Y173-L177 PolarHBondContact O-N 3.23Å; L177-G179 VanDerWaalsContact C-N 3.32Å; L177-G179 PolarHBondContact O-N 3.06Å; L177-V180 PolarHBondContact O-N 2.82Å; L177-I181 HydrophobicContact CD1-CD1 4.16Å; L177-I181 HydrophobicContact CG-CD1 3.99Å; L177-I181 VanDerWaalsContact O-CG1 3.3Å; L177-I181 WeakPolarHBondContact O-CG1 3.4Å; L177-I181 PolarHBondContact O-N 3.19Å
178	T	96.2	Very high	95.3	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.049	26%	0.263	C	S	.	.	H	α-helix	trans	-64.2	-38.9	176.3	56.4	0	0	0	0	111.3	L174 A175 G176 V180 I181 I182 I221 H222	L174-T178 HydrophobicContact CD1-CG2 3.82Å; L174-T178 HydrophobicContact CG-CG2 4.42Å; L174-T178 VanDerWaalsContact O-CB 3.31Å; L174-T178 WeakPolarHBondContact O-CB 3.42Å; L174-T178 WeakPolarHBondContact O-CG2 3.27Å; L174-T178 PolarHBondContact O-N 3.36Å; L174-T178 PolarHBondContact O-OG1 3.01Å; A175-T178 PolarHBondContact O-OG1 3.39Å; G176-T178 PolarHBondContact O-N 3.38Å; T178-V180 PolarHBondContact O-N 3.18Å; T178-I181 PolarHBondContact O-N 3.28Å; T178-I182 VanDerWaalsContact O-CG1 3.22Å; T178-I182 WeakPolarHBondContact O-CG1 3.3Å; T178-I182 WeakPolarHBondContact O-CG2 3.25Å; T178-I182 PolarHBondContact O-N 2.91Å; T178-I221 HydrophobicContact CG2-CD1 3.58Å; T178-I221 HydrophobicContact CG2-CG1 3.76Å; T178-H222 WeakPolarHBondContact OG1-CA 3.44Å; T178-H222 PolarHBondContact OG1-ND1 3.21Å
179	G	95.9	Very high	95.5	Very high	14 Å²	14	46 Å²	46	14%	0.144	25%	0.254	C	S	.	.	H	α-helix	trans	-59	-44.4	175.9	0	0	0	0	0	112.9	A175 G176 L177 I182 T183 H222	A175-G179 WeakPolarHBondContact O-CA 3.19Å; A175-G179 PolarHBondContact O-N 2.91Å; G176-G179 WeakPolarHBondContact O-CA 3.46Å; G176-G179 PolarHBondContact O-N 3.46Å; L177-G179 VanDerWaalsContact C-N 3.32Å; L177-G179 PolarHBondContact O-N 3.06Å; G179-I182 WeakPolarHBondContact O-CG1 3.15Å; G179-T183 WeakPolarHBondContact O-CB 3.28Å; G179-T183 PolarHBondContact O-N 2.79Å; G179-T183 PolarHBondContact O-OG1 3.09Å; G179-H222 PolarHBondContact N-ND1 3.43Å
180	V	96.4	Very high	95.6	Very high	60 Å²	60	47.7 Å²	47.7	36%	0.364	26%	0.262	S	S	.	.	H	α-helix	trans	-63.7	-49.6	175.4	176.6	0	0	0	0	110.7	F171 G176 L177 T178 T183 L184	F171-V180 HydrophobicContact CE1-CG1 4.27Å; G176-V180 WeakPolarHBondContact O-CG2 3.21Å; G176-V180 PolarHBondContact O-N 3.12Å; L177-V180 PolarHBondContact O-N 2.82Å; T178-V180 PolarHBondContact O-N 3.18Å; V180-T183 PolarHBondContact O-N 2.79Å; V180-L184 WeakPolarHBondContact O-CB 3.49Å; V180-L184 PolarHBondContact O-N 2.77Å
181	I	97.1	Very high	95.8	Very high	80 Å²	80	49.6 Å²	49.6	41%	0.41	27%	0.271	S	S	.	.	H	α-helix	trans	-61	-49.2	-177.7	-68	167.6	0	0	0	111.3	L177 T178 T183 L184 A185 I214	L177-I181 HydrophobicContact CD1-CD1 4.16Å; L177-I181 HydrophobicContact CG-CD1 3.99Å; L177-I181 VanDerWaalsContact O-CG1 3.3Å; L177-I181 WeakPolarHBondContact O-CG1 3.4Å; L177-I181 PolarHBondContact O-N 3.19Å; T178-I181 PolarHBondContact O-N 3.28Å; I181-T183 PolarHBondContact O-N 2.6Å; I181-L184 PolarHBondContact O-N 3.16Å; I181-A185 WeakPolarHBondContact O-CB 3.39Å; I181-A185 PolarHBondContact O-N 3.34Å; I181-I214 HydrophobicContact CG2-CG2 3.96Å
182	I	97.3	Very high	95.9	Very high	13 Å²	13	44.5 Å²	44.5	7%	0.067	25%	0.25	C	C	.	.	H	α-helix	trans	-69.1	-34.1	-178.9	68.4	-169.4	0	0	0	112.1	T178 G179 A185 L186 F215 H222	T178-I182 VanDerWaalsContact O-CG1 3.22Å; T178-I182 WeakPolarHBondContact O-CG1 3.3Å; T178-I182 WeakPolarHBondContact O-CG2 3.25Å; T178-I182 PolarHBondContact O-N 2.91Å; G179-I182 WeakPolarHBondContact O-CG1 3.15Å; I182-A185 PolarHBondContact O-N 3.15Å; I182-L186 WeakPolarHBondContact O-CB 3.24Å; I182-L186 PolarHBondContact O-N 2.84Å; I182-F215 HydrophobicContact CB-CD2 4.14Å; I182-H222 HydrophobicContact CD1-CB 4.37Å
183	T	97.3	Very high	96	Very high	31 Å²	31	42.6 Å²	42.6	19%	0.19	24%	0.239	C	C	.	.	H	α-helix	trans	-67.8	-43.2	176.8	-59.2	0	0	0	0	110.6	T112 G179 V180 I181 L186 I187	T112-T183 HydrophobicContact CG2-CG2 4.49Å; G179-T183 WeakPolarHBondContact O-CB 3.28Å; G179-T183 PolarHBondContact O-N 2.79Å; G179-T183 PolarHBondContact O-OG1 3.09Å; V180-T183 PolarHBondContact O-N 2.79Å; I181-T183 PolarHBondContact O-N 2.6Å; T183-L186 PolarHBondContact O-N 2.99Å; T183-I187 HydrophobicContact CG2-CD1 4.05Å; T183-I187 VanDerWaalsContact O-CG1 3.32Å; T183-I187 WeakPolarHBondContact O-CG1 3.48Å; T183-I187 PolarHBondContact O-N 3.4Å
184	L	97.2	Very high	96	Very high	101 Å²	101	42.8 Å²	42.8	53%	0.529	25%	0.245	S	C	.	.	H	α-helix	trans	-61.9	-46.1	175.3	-177.2	66	0	0	0	111.4	V180 I181 L186 I187 L188	V180-L184 WeakPolarHBondContact O-CB 3.49Å; V180-L184 PolarHBondContact O-N 2.77Å; I181-L184 PolarHBondContact O-N 3.16Å; L184-L186 VanDerWaalsContact C-N 3.31Å; L184-L186 PolarHBondContact O-N 2.86Å; L184-I187 PolarHBondContact O-N 2.85Å; L184-L188 HydrophobicContact CG-CD1 4.43Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 2.96Å
185	A	97.9	Very high	95.6	Very high	7 Å²	7	44.5 Å²	44.5	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-57.2	-45.4	174.7	0	0	0	0	0	111.4	I181 I182 I187 L188 I189 L211	I181-A185 WeakPolarHBondContact O-CB 3.39Å; I181-A185 PolarHBondContact O-N 3.34Å; I182-A185 PolarHBondContact O-N 3.15Å; A185-I187 PolarHBondContact O-N 3.29Å; A185-L188 PolarHBondContact O-N 3.25Å; A185-I189 WeakPolarHBondContact O-CD1 3.48Å; A185-I189 WeakPolarHBondContact O-CG1 3.21Å; A185-I189 PolarHBondContact O-N 2.79Å; A185-L211 HydrophobicContact CB-CB 4.34Å
186	L	97.7	Very high	95.4	Very high	18 Å²	18	49.2 Å²	49.2	9%	0.094	28%	0.278	C	S	.	.	H	α-helix	trans	-62.8	-42.3	178.3	-176.3	64.8	0	0	0	112.4	I108 T112 I182 T183 L184 L188 I189 I190 F215	I108-L186 HydrophobicContact CG2-CD1 4.19Å; I108-L186 HydrophobicContact CG2-CD2 4.02Å; T112-L186 HydrophobicContact CG2-CD2 3.92Å; T112-L186 WeakPolarHBondContact OG1-CD2 3.49Å; I182-L186 WeakPolarHBondContact O-CB 3.24Å; I182-L186 PolarHBondContact O-N 2.84Å; T183-L186 PolarHBondContact O-N 2.99Å; L184-L186 VanDerWaalsContact C-N 3.31Å; L184-L186 PolarHBondContact O-N 2.86Å; L186-L188 VanDerWaalsContact C-N 3.34Å; L186-L188 PolarHBondContact O-N 2.99Å; L186-I189 PolarHBondContact O-N 2.78Å; L186-I190 HydrophobicContact CD1-CD1 3.83Å; L186-I190 HydrophobicContact CD1-CG1 4.14Å; L186-I190 HydrophobicContact CD2-CD1 4.33Å; L186-I190 HydrophobicContact CG-CD1 3.73Å; L186-I190 HydrophobicContact CG-CG1 4.39Å; L186-I190 WeakPolarHBondContact O-CG1 3.44Å; L186-I190 PolarHBondContact O-N 2.78Å; L186-F215 HydrophobicContact CB-CD2 4.22Å; L186-F215 HydrophobicContact CB-CE2 4.24Å; L186-F215 HydrophobicContact CD1-CE2 4.25Å; L186-F215 HydrophobicContact CD2-CE2 4.34Å
187	I	97.6	Very high	95.2	Very high	91 Å²	91	51.3 Å²	51.3	47%	0.467	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-45.2	176.5	-70.5	166	0	0	0	110.6	T183 L184 A185 I190 T191	T183-I187 HydrophobicContact CG2-CD1 4.05Å; T183-I187 VanDerWaalsContact O-CG1 3.32Å; T183-I187 WeakPolarHBondContact O-CG1 3.48Å; T183-I187 PolarHBondContact O-N 3.4Å; L184-I187 PolarHBondContact O-N 2.85Å; A185-I187 PolarHBondContact O-N 3.29Å; I187-I190 PolarHBondContact O-N 3.03Å; I187-T191 HydrophobicContact CG2-CG2 4.26Å; I187-T191 WeakPolarHBondContact O-CB 3.27Å; I187-T191 VanDerWaalsContact O-CG2 3.28Å; I187-T191 WeakPolarHBondContact O-CG2 3.47Å; I187-T191 PolarHBondContact O-N 3.46Å; I187-T191 PolarHBondContact O-OG1 2.87Å
188	L	97	Very high	94.8	Very high	76 Å²	76	51.9 Å²	51.9	40%	0.398	28%	0.281	S	S	.	.	H	α-helix	trans	-64.5	-40.5	177.9	-67.8	174.3	0	0	0	112	L184 A185 L186 T191 S192 L211	L184-L188 HydrophobicContact CG-CD1 4.43Å; L184-L188 WeakPolarHBondContact O-CG 3.43Å; L184-L188 PolarHBondContact O-N 2.96Å; A185-L188 PolarHBondContact O-N 3.25Å; L186-L188 VanDerWaalsContact C-N 3.34Å; L186-L188 PolarHBondContact O-N 2.99Å; L188-T191 PolarHBondContact O-OG1 2.94Å; L188-S192 WeakPolarHBondContact O-CB 3.43Å; L188-S192 PolarHBondContact O-N 2.79Å; L188-S192 PolarHBondContact O-OG 2.86Å; L188-L211 HydrophobicContact CB-CD1 3.81Å; L188-L211 HydrophobicContact CD1-CD1 3.84Å
189	I	97.6	Very high	93.9	Very high	17 Å²	17	59.4 Å²	59.4	9%	0.087	31%	0.308	C	S	.	.	H	α-helix	trans	-62.8	-47.7	175.7	-68.2	162.5	0	0	0	110.6	A185 L186 S192 S193 T208 L211 F212	A185-I189 WeakPolarHBondContact O-CD1 3.48Å; A185-I189 WeakPolarHBondContact O-CG1 3.21Å; A185-I189 PolarHBondContact O-N 2.79Å; L186-I189 PolarHBondContact O-N 2.78Å; I189-S192 PolarHBondContact O-OG 2.78Å; I189-S193 WeakPolarHBondContact O-CB 3.28Å; I189-S193 PolarHBondContact O-N 3.41Å; I189-S193 PolarHBondContact O-OG 3.3Å; I189-T208 WeakPolarHBondContact CG1-O 3.37Å; I189-L211 HydrophobicContact CD1-CB 3.94Å; I189-L211 HydrophobicContact CG1-CB 3.9Å; I189-F212 HydrophobicContact CD1-CB 4.46Å
190	I	96.1	Very high	93.2	Very high	42 Å²	42	62.7 Å²	62.7	22%	0.215	33%	0.329	C	S	.	.	H	α-helix	trans	-69.4	-46.4	-175.1	-69.4	170.2	0	0	0	111.3	W106 A109 L186 I187 S193 T194	W106-I190 HydrophobicContact CH2-CG2 4.48Å; A109-I190 HydrophobicContact CB-CD1 3.57Å; L186-I190 HydrophobicContact CD1-CD1 3.83Å; L186-I190 HydrophobicContact CD1-CG1 4.14Å; L186-I190 HydrophobicContact CD2-CD1 4.33Å; L186-I190 HydrophobicContact CG-CD1 3.73Å; L186-I190 HydrophobicContact CG-CG1 4.39Å; L186-I190 WeakPolarHBondContact O-CG1 3.44Å; L186-I190 PolarHBondContact O-N 2.78Å; I187-I190 PolarHBondContact O-N 3.03Å; I190-S193 PolarHBondContact O-N 3.45Å; I190-T194 PolarHBondContact O-N 3.38Å
191	T	95	Very high	92.6	Very high	67 Å²	67	67.3 Å²	67.3	41%	0.411	34%	0.341	S	S	.	.	H	α-helix	trans	-62.4	-49.9	-176.3	48.9	0	0	0	0	111.3	I187 L188 S193 T194 I197	I187-T191 HydrophobicContact CG2-CG2 4.26Å; I187-T191 WeakPolarHBondContact O-CB 3.27Å; I187-T191 VanDerWaalsContact O-CG2 3.28Å; I187-T191 WeakPolarHBondContact O-CG2 3.47Å; I187-T191 PolarHBondContact O-N 3.46Å; I187-T191 PolarHBondContact O-OG1 2.87Å; L188-T191 PolarHBondContact O-OG1 2.94Å; T191-S193 PolarHBondContact O-N 3.09Å; T191-T194 WeakPolarHBondContact O-CB 3.34Å; T191-T194 VanDerWaalsContact O-CG2 3.26Å; T191-T194 WeakPolarHBondContact O-CG2 3.39Å; T191-T194 PolarHBondContact O-N 2.95Å; T191-T194 PolarHBondContact O-OG1 3.4Å; T191-I197 WeakPolarHBondContact O-CD1 3.23Å
192	S	95.3	Very high	91.8	Very high	6 Å²	6	68.3 Å²	68.3	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-62.2	-28.1	176	62.9	0	0	0	0	113.9	L188 I189 T194 T208	L188-S192 WeakPolarHBondContact O-CB 3.43Å; L188-S192 PolarHBondContact O-N 2.79Å; L188-S192 PolarHBondContact O-OG 2.86Å; I189-S192 PolarHBondContact O-OG 2.78Å; S192-T194 VanDerWaalsContact C-N 3.28Å; S192-T194 PolarHBondContact O-N 3.15Å; S192-T208 WeakPolarHBondContact CB-OG1 3.31Å; S192-T208 PolarHBondContact OG-OG1 2.9Å
193	S	94.6	Very high	91.2	Very high	35 Å²	35	70.4 Å²	70.4	25%	0.245	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.3	179.6	-58.9	0	0	0	0	114.3	I189 I190 T191 H209	I189-S193 WeakPolarHBondContact O-CB 3.28Å; I189-S193 PolarHBondContact O-N 3.41Å; I189-S193 PolarHBondContact O-OG 3.3Å; I190-S193 PolarHBondContact O-N 3.45Å; T191-S193 PolarHBondContact O-N 3.09Å; S193-H209 PolarHBondContact OG-CE1 3.22Å; S193-H209 PolarHBondContact OG-ND1 3.19Å
194	T	92.2	Very high	90.8	Very high	51 Å²	51	72.4 Å²	72.4	31%	0.313	36%	0.364	S	S	.	.	S	Bend	trans	-62.3	149.3	175.7	58.8	0	0	0	0	111.7	I190 T191 S192 T196 I197 R198	I190-T194 PolarHBondContact O-N 3.38Å; T191-T194 WeakPolarHBondContact O-CB 3.34Å; T191-T194 VanDerWaalsContact O-CG2 3.26Å; T191-T194 WeakPolarHBondContact O-CG2 3.39Å; T191-T194 PolarHBondContact O-N 2.95Å; T191-T194 PolarHBondContact O-OG1 3.4Å; S192-T194 VanDerWaalsContact C-N 3.28Å; S192-T194 PolarHBondContact O-N 3.15Å; T194-T196 PolarHBondContact O-N 3.09Å; T194-I197 PolarHBondContact O-N 3.17Å; T194-R198 VanDerWaalsContact O-CB 3.28Å; T194-R198 WeakPolarHBondContact O-CB 3.43Å; T194-R198 PolarHBondContact O-N 3.43Å
195	K	87.7	Confident	90.5	Very high	116 Å²	116	69.1 Å²	69.1	50%	0.504	35%	0.346	S	S	.	.	H	α-helix	trans	-56.8	-36	-176	-174.2	178.7	179.8	179	0	112.5	R199	K195-R199 VanDerWaalsContact CE-CZ 3.43Å; K195-R199 VanDerWaalsContact O-CB 3.32Å; K195-R199 WeakPolarHBondContact O-CB 3.22Å; K195-R199 VanDerWaalsContact O-CG 3.29Å; K195-R199 WeakPolarHBondContact O-CG 3.49Å; K195-R199 PolarHBondContact O-N 2.79Å
196	T	88.5	Confident	90	Very high	110 Å²	110	72.6 Å²	72.6	68%	0.675	36%	0.357	S	S	*	.	H	α-helix	trans	-67	-55.2	-180	-48	0	0	0	0	111	T194 R199 S200	T194-T196 PolarHBondContact O-N 3.09Å; T196-R199 PolarHBondContact O-N 2.87Å; T196-S200 PolarHBondContact O-N 3.03Å; T196-S200 PolarHBondContact O-OG 2.91Å
197	I	88.3	Confident	89.6	Confident	61 Å²	61	77.4 Å²	77.4	31%	0.313	38%	0.375	S	S	.	.	H	α-helix	trans	-66.2	-47.8	-178.1	-64.9	178.7	0	0	0	110.6	T191 T194 R199 S200 Y201 V204	T191-I197 WeakPolarHBondContact O-CD1 3.23Å; T194-I197 PolarHBondContact O-N 3.17Å; I197-R199 PolarHBondContact O-N 3.2Å; I197-S200 PolarHBondContact O-N 3.28Å; I197-S200 VanDerWaalsContact O-N 3.16Å; I197-Y201 CarbonylContact O-C 3.59Å; I197-Y201 WeakPolarHBondContact O-CA 3.31Å; I197-Y201 PolarHBondContact O-N 2.85Å; I197-V204 HydrophobicContact CG2-CG1 4.49Å
198	R	87.3	Confident	89.5	Confident	86 Å²	86	74.7 Å²	74.7	33%	0.325	36%	0.363	S	S	.	.	H	α-helix	trans	-60.2	-30.7	-178.2	-172.9	-179.3	67.8	135.7	12.5	113.8	T194 F202 F205	T194-R198 VanDerWaalsContact O-CB 3.28Å; T194-R198 WeakPolarHBondContact O-CB 3.43Å; T194-R198 PolarHBondContact O-N 3.43Å; R198-F202 HydrophobicContact CG-CD2 4.35Å; R198-F205 HydrophobicContact CB-CB 4.29Å; R198-F205 HydrophobicContact CB-CG 4.31Å; R198-F205 HydrophobicContact CG-CB 4.13Å; R198-F205 HydrophobicContact CG-CD1 3.81Å; R198-F205 HydrophobicContact CG-CD2 4.18Å; R198-F205 HydrophobicContact CG-CE1 4.26Å; R198-F205 HydrophobicContact CG-CG 3.75Å
199	R	78.2	Confident	89.4	Confident	165 Å²	165	73.6 Å²	73.6	62%	0.623	36%	0.355	S	S	*	.	H	α-helix	trans	-79.2	-32.6	178.4	-81.3	-175.5	167.4	-168	-5.2	113.2	K195 T196 I197	K195-R199 VanDerWaalsContact CE-CZ 3.43Å; K195-R199 VanDerWaalsContact O-CB 3.32Å; K195-R199 WeakPolarHBondContact O-CB 3.22Å; K195-R199 VanDerWaalsContact O-CG 3.29Å; K195-R199 WeakPolarHBondContact O-CG 3.49Å; K195-R199 PolarHBondContact O-N 2.79Å; T196-R199 PolarHBondContact O-N 2.87Å; I197-R199 PolarHBondContact O-N 3.2Å
200	S	81.4	Confident	89.3	Confident	83 Å²	83	76.1 Å²	76.1	58%	0.58	37%	0.367	S	S	*	.	H	α-helix	trans	-93.8	-31.7	-177.4	-62.4	0	0	0	0	113	T196 I197	T196-S200 PolarHBondContact O-N 3.03Å; T196-S200 PolarHBondContact O-OG 2.91Å; I197-S200 PolarHBondContact O-N 3.28Å; I197-S200 VanDerWaalsContact O-N 3.16Å
201	Y	84.4	Confident	89.3	Confident	157 Å²	157	76.2 Å²	76.2	62%	0.616	37%	0.368	S	S	*	.			trans	-137.9	71.8	-173.3	-57.9	-75.7	0	0	0	110.2	I197 E203 V204 F205	I197-Y201 CarbonylContact O-C 3.59Å; I197-Y201 WeakPolarHBondContact O-CA 3.31Å; I197-Y201 PolarHBondContact O-N 2.85Å; Y201-E203 VanDerWaalsContact C-N 3.32Å; Y201-E203 PolarHBondContact O-N 2.9Å; Y201-V204 PolarHBondContact O-N 3.41Å; Y201-F205 PolarHBondContact O-N 3.44Å
202	F	80.3	Confident	89.4	Confident	101 Å²	101	74.9 Å²	74.9	44%	0.443	36%	0.356	S	S	.	.	H	α-helix	trans	-61.3	-38.6	-176.2	-175	-97.5	0	0	0	112.9	R198 V204 F205 W206	R198-F202 HydrophobicContact CG-CD2 4.35Å; F202-V204 PolarHBondContact O-N 3.5Å; F202-F205 AromaticContact CD2-CD1 3.98Å; F202-F205 HydrophobicContact CD2-CD1 3.98Å; F202-F205 HydrophobicContact CD2-CE1 4.49Å; F202-F205 AromaticContact CE2-CD1 3.79Å; F202-F205 HydrophobicContact CE2-CD1 3.79Å; F202-F205 AromaticContact CE2-CE1 3.86Å; F202-F205 HydrophobicContact CE2-CE1 3.86Å; F202-F205 HydrophobicContact CZ-CD1 4.28Å; F202-F205 HydrophobicContact CZ-CE1 4.23Å; F202-F205 VanDerWaalsContact O-CB 3.32Å; F202-F205 WeakPolarHBondContact O-CB 3.14Å; F202-F205 PolarHBondContact O-N 3.08Å; F202-W206 HydrophobicContact CE1-CB 4.43Å; F202-W206 PolarHBondContact O-N 2.78Å
203	E	83.8	Confident	89.4	Confident	57 Å²	57	78 Å²	78	27%	0.266	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-43.8	178.2	-67	-52.1	116.4	0	0	112.4	Y201 F205 W206 Y207	Y201-E203 VanDerWaalsContact C-N 3.32Å; Y201-E203 PolarHBondContact O-N 2.9Å; E203-F205 VanDerWaalsContact C-N 3.3Å; E203-F205 PolarHBondContact O-N 2.86Å; E203-W206 PolarHBondContact O-N 2.9Å; E203-Y207 HydrophobicContact CB-CD2 4.31Å; E203-Y207 HydrophobicContact CB-CE2 4.2Å; E203-Y207 WeakPolarHBondContact O-CD2 3.37Å; E203-Y207 PolarHBondContact O-N 3.36Å; E203-Y207 VanDerWaalsContact OE2-CE2 3.24Å; E203-Y207 WeakPolarHBondContact OE2-CE2 3.31Å
204	V	89.8	Confident	89.5	Confident	73 Å²	73	80.1 Å²	80.1	44%	0.442	38%	0.383	S	S	.	.	H	α-helix	trans	-58.6	-46.2	176.9	175.9	0	0	0	0	110.2	I197 Y201 F202 T208	I197-V204 HydrophobicContact CG2-CG1 4.49Å; Y201-V204 PolarHBondContact O-N 3.41Å; F202-V204 PolarHBondContact O-N 3.5Å; V204-T208 HydrophobicContact CG1-CG2 4.41Å; V204-T208 WeakPolarHBondContact O-CB 3.34Å; V204-T208 VanDerWaalsContact O-CG2 3.3Å; V204-T208 WeakPolarHBondContact O-CG2 3.45Å; V204-T208 PolarHBondContact O-N 2.94Å; V204-T208 VanDerWaalsContact O-N 3.14Å; V204-T208 PolarHBondContact O-OG1 3.45Å
205	F	90.5	Very high	89.7	Confident	33 Å²	33	78.5 Å²	78.5	15%	0.145	37%	0.371	C	S	.	.	H	α-helix	trans	-55.7	-52.6	172.1	157	-104.2	0	0	0	111	R198 Y201 F202 E203 Y207 T208 H209	R198-F205 HydrophobicContact CB-CB 4.29Å; R198-F205 HydrophobicContact CB-CG 4.31Å; R198-F205 HydrophobicContact CG-CB 4.13Å; R198-F205 HydrophobicContact CG-CD1 3.81Å; R198-F205 HydrophobicContact CG-CD2 4.18Å; R198-F205 HydrophobicContact CG-CE1 4.26Å; R198-F205 HydrophobicContact CG-CG 3.75Å; Y201-F205 PolarHBondContact O-N 3.44Å; F202-F205 AromaticContact CD2-CD1 3.98Å; F202-F205 HydrophobicContact CD2-CD1 3.98Å; F202-F205 HydrophobicContact CD2-CE1 4.49Å; F202-F205 AromaticContact CE2-CD1 3.79Å; F202-F205 HydrophobicContact CE2-CD1 3.79Å; F202-F205 AromaticContact CE2-CE1 3.86Å; F202-F205 HydrophobicContact CE2-CE1 3.86Å; F202-F205 HydrophobicContact CZ-CD1 4.28Å; F202-F205 HydrophobicContact CZ-CE1 4.23Å; F202-F205 VanDerWaalsContact O-CB 3.32Å; F202-F205 WeakPolarHBondContact O-CB 3.14Å; F202-F205 PolarHBondContact O-N 3.08Å; E203-F205 VanDerWaalsContact C-N 3.3Å; E203-F205 PolarHBondContact O-N 2.86Å; F205-Y207 PolarHBondContact O-N 3.43Å; F205-T208 PolarHBondContact O-OG1 2.87Å; F205-H209 HydrophobicContact CE2-CB 4.28Å; F205-H209 AromaticContact CE2-CG 3.97Å; F205-H209 AromaticContact CE2-ND1 3.6Å; F205-H209 WeakPolarHBondContact O-CB 3.2Å; F205-H209 PolarHBondContact O-N 2.65Å
206	W	86.9	Confident	90.1	Very high	80 Å²	80	73.4 Å²	73.4	30%	0.303	35%	0.349	S	S	.	.	H	α-helix	trans	-60.7	-50.1	-173.7	-168.6	96.9	0	0	0	112.7	F202 E203 H209 H210	F202-W206 HydrophobicContact CE1-CB 4.43Å; F202-W206 PolarHBondContact O-N 2.78Å; E203-W206 PolarHBondContact O-N 2.9Å; W206-H209 PolarHBondContact O-N 2.85Å; W206-H210 AromaticContact CD2-CE1 3.63Å; W206-H210 AromaticContact CD2-ND1 3.97Å; W206-H210 AromaticContact CE2-CE1 3.41Å; W206-H210 VanDerWaalsContact CE2-CE1 3.41Å; W206-H210 AromaticContact CE3-CE1 3.81Å; W206-H210 AromaticContact CE3-ND1 3.84Å; W206-H210 AromaticContact CH2-CE1 3.55Å; W206-H210 AromaticContact CZ2-CE1 3.38Å; W206-H210 WeakPolarHBondContact CZ2-CE1 3.5Å; W206-H210 AromaticContact CZ2-NE2 3.92Å; W206-H210 AromaticContact CZ3-CE1 3.76Å; W206-H210 AromaticContact CZ3-ND1 3.93Å; W206-H210 PolarHBondContact O-ND1 3.47Å
207	Y	90.2	Very high	90.4	Very high	119 Å²	119	73 Å²	73	47%	0.467	34%	0.341	S	S	.	.	H	α-helix	trans	-67.1	-44.7	-178.4	-72.9	-69.3	0	0	0	112.3	E203 F205 H209 H210	E203-Y207 HydrophobicContact CB-CD2 4.31Å; E203-Y207 HydrophobicContact CB-CE2 4.2Å; E203-Y207 WeakPolarHBondContact O-CD2 3.37Å; E203-Y207 PolarHBondContact O-N 3.36Å; E203-Y207 VanDerWaalsContact OE2-CE2 3.24Å; E203-Y207 WeakPolarHBondContact OE2-CE2 3.31Å; F205-Y207 PolarHBondContact O-N 3.43Å; Y207-H209 VanDerWaalsContact C-N 3.34Å; Y207-H209 PolarHBondContact O-N 3.43Å; Y207-H210 PolarHBondContact O-N 2.89Å
208	T	95.1	Very high	90.7	Very high	34 Å²	34	70.4 Å²	70.4	21%	0.209	33%	0.33	C	S	.	.	H	α-helix	trans	-71.1	-29.7	-179.4	57.1	0	0	0	0	112.4	I189 S192 V204 F205 H210 L211	I189-T208 WeakPolarHBondContact CG1-O 3.37Å; S192-T208 WeakPolarHBondContact CB-OG1 3.31Å; S192-T208 PolarHBondContact OG-OG1 2.9Å; V204-T208 HydrophobicContact CG1-CG2 4.41Å; V204-T208 WeakPolarHBondContact O-CB 3.34Å; V204-T208 VanDerWaalsContact O-CG2 3.3Å; V204-T208 WeakPolarHBondContact O-CG2 3.45Å; V204-T208 PolarHBondContact O-N 2.94Å; V204-T208 VanDerWaalsContact O-N 3.14Å; V204-T208 PolarHBondContact O-OG1 3.45Å; F205-T208 PolarHBondContact O-OG1 2.87Å; T208-H210 PolarHBondContact O-N 3.47Å; T208-L211 WeakPolarHBondContact O-CB 3.47Å; T208-L211 WeakPolarHBondContact O-CD1 3.43Å; T208-L211 WeakPolarHBondContact O-CG 3.46Å; T208-L211 PolarHBondContact O-N 3.25Å; T208-L211 VanDerWaalsContact O-N 3.09Å
209	H	95.5	Very high	91.1	Very high	52 Å²	52	67 Å²	67	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-63.8	-29	176.6	-148.7	80.7	0	0	0	111.9	S193 F205 W206 Y207 L211 F212	S193-H209 PolarHBondContact OG-CE1 3.22Å; S193-H209 PolarHBondContact OG-ND1 3.19Å; F205-H209 HydrophobicContact CE2-CB 4.28Å; F205-H209 AromaticContact CE2-CG 3.97Å; F205-H209 AromaticContact CE2-ND1 3.6Å; F205-H209 WeakPolarHBondContact O-CB 3.2Å; F205-H209 PolarHBondContact O-N 2.65Å; W206-H209 PolarHBondContact O-N 2.85Å; Y207-H209 VanDerWaalsContact C-N 3.34Å; Y207-H209 PolarHBondContact O-N 3.43Å; H209-L211 PolarHBondContact O-N 3.45Å; H209-L211 VanDerWaalsContact O-N 3.17Å; H209-F212 VanDerWaalsContact O-CD1 3.28Å; H209-F212 WeakPolarHBondContact O-CD1 3.49Å; H209-F212 PolarHBondContact O-N 3.28Å; H209-F212 VanDerWaalsContact O-N 3.14Å
210	H	94.6	Very high	91.9	Very high	71 Å²	71	61.4 Å²	61.4	33%	0.329	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.7	175.4	-75.2	82.9	0	0	0	114.2	W206 Y207 T208 F212 V213	W206-H210 AromaticContact CD2-CE1 3.63Å; W206-H210 AromaticContact CD2-ND1 3.97Å; W206-H210 AromaticContact CE2-CE1 3.41Å; W206-H210 VanDerWaalsContact CE2-CE1 3.41Å; W206-H210 AromaticContact CE3-CE1 3.81Å; W206-H210 AromaticContact CE3-ND1 3.84Å; W206-H210 AromaticContact CH2-CE1 3.55Å; W206-H210 AromaticContact CZ2-CE1 3.38Å; W206-H210 WeakPolarHBondContact CZ2-CE1 3.5Å; W206-H210 AromaticContact CZ2-NE2 3.92Å; W206-H210 AromaticContact CZ3-CE1 3.76Å; W206-H210 AromaticContact CZ3-ND1 3.93Å; W206-H210 PolarHBondContact O-ND1 3.47Å; Y207-H210 PolarHBondContact O-N 2.89Å; T208-H210 PolarHBondContact O-N 3.47Å; H210-F212 PolarHBondContact O-N 2.73Å; H210-V213 PolarHBondContact O-N 2.75Å; H210-V213 VanDerWaalsContact O-N 3.07Å
211	L	96.9	Very high	92.5	Very high	44 Å²	44	61 Å²	61	23%	0.23	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-10.5	169	-62.7	173.9	0	0	0	112.5	A185 L188 I189 T208 H209 V213 I214 F215	A185-L211 HydrophobicContact CB-CB 4.34Å; L188-L211 HydrophobicContact CB-CD1 3.81Å; L188-L211 HydrophobicContact CD1-CD1 3.84Å; I189-L211 HydrophobicContact CD1-CB 3.94Å; I189-L211 HydrophobicContact CG1-CB 3.9Å; T208-L211 WeakPolarHBondContact O-CB 3.47Å; T208-L211 WeakPolarHBondContact O-CD1 3.43Å; T208-L211 WeakPolarHBondContact O-CG 3.46Å; T208-L211 PolarHBondContact O-N 3.25Å; T208-L211 VanDerWaalsContact O-N 3.09Å; H209-L211 PolarHBondContact O-N 3.45Å; H209-L211 VanDerWaalsContact O-N 3.17Å; L211-V213 PolarHBondContact O-N 3.45Å; L211-V213 VanDerWaalsContact O-N 3.15Å; L211-I214 HydrophobicContact CD2-CD1 3.82Å; L211-I214 PolarHBondContact O-N 3.41Å; L211-F215 PolarHBondContact O-N 2.71Å
212	F	95.8	Very high	93	Very high	39 Å²	39	55.2 Å²	55.2	17%	0.171	27%	0.271	C	S	.	.	H	α-helix	trans	-52.5	-31.9	169.1	84.3	-97.4	0	0	0	112	I189 H209 H210 F215 F216 Y280	I189-F212 HydrophobicContact CD1-CB 4.46Å; H209-F212 VanDerWaalsContact O-CD1 3.28Å; H209-F212 WeakPolarHBondContact O-CD1 3.49Å; H209-F212 PolarHBondContact O-N 3.28Å; H209-F212 VanDerWaalsContact O-N 3.14Å; H210-F212 PolarHBondContact O-N 2.73Å; F212-F215 WeakPolarHBondContact O-CB 3.41Å; F212-F215 PolarHBondContact O-N 3.02Å; F212-F216 HydrophobicContact CD2-CD2 4.05Å; F212-F216 HydrophobicContact CD2-CE2 4.41Å; F212-F216 VanDerWaalsContact O-CD2 3.31Å; F212-F216 WeakPolarHBondContact O-CD2 3.5Å; F212-F216 PolarHBondContact O-N 3.07Å; F212-Y280 AromaticContact CE2-CE1 3.78Å; F212-Y280 HydrophobicContact CE2-CE1 3.78Å; F212-Y280 AromaticContact CZ-CE1 3.72Å; F212-Y280 HydrophobicContact CZ-CE1 3.72Å; F212-Y280 AromaticContact CZ-CZ 3.92Å; F212-Y280 WeakPolarHBondContact CZ-OH 3.36Å
213	V	95.2	Very high	93.5	Very high	70 Å²	70	51.7 Å²	51.7	42%	0.424	26%	0.263	S	S	.	.	H	α-helix	trans	-62.3	-48.3	177	177.9	0	0	0	0	110.7	H210 L211 F215 F216 I217	H210-V213 PolarHBondContact O-N 2.75Å; H210-V213 VanDerWaalsContact O-N 3.07Å; L211-V213 PolarHBondContact O-N 3.45Å; L211-V213 VanDerWaalsContact O-N 3.15Å; V213-F215 VanDerWaalsContact C-N 3.33Å; V213-F216 PolarHBondContact O-N 3.1Å; V213-I217 HydrophobicContact CG1-CD1 3.93Å; V213-I217 VanDerWaalsContact O-CG1 3.31Å; V213-I217 WeakPolarHBondContact O-CG1 3.45Å; V213-I217 PolarHBondContact O-N 3.42Å
214	I	96.3	Very high	94	Very high	81 Å²	81	51.3 Å²	51.3	42%	0.415	27%	0.27	S	S	.	.	H	α-helix	trans	-63.5	-42.6	176.3	-64.9	172.2	0	0	0	110	I181 L211 G218	I181-I214 HydrophobicContact CG2-CG2 3.96Å; L211-I214 HydrophobicContact CD2-CD1 3.82Å; L211-I214 PolarHBondContact O-N 3.41Å; I214-G218 PolarHBondContact O-N 3.24Å
215	F	97.1	Very high	94	Very high	16 Å²	16	49.3 Å²	49.3	7%	0.07	26%	0.264	C	S	.	.	H	α-helix	trans	-57	-50.7	176.8	174.7	-93.3	0	0	0	112.1	I108 I182 L186 L211 F212 V213 G218 L219	I108-F215 HydrophobicContact CG2-CZ 4.45Å; I182-F215 HydrophobicContact CB-CD2 4.14Å; L186-F215 HydrophobicContact CB-CD2 4.22Å; L186-F215 HydrophobicContact CB-CE2 4.24Å; L186-F215 HydrophobicContact CD1-CE2 4.25Å; L186-F215 HydrophobicContact CD2-CE2 4.34Å; L211-F215 PolarHBondContact O-N 2.71Å; F212-F215 WeakPolarHBondContact O-CB 3.41Å; F212-F215 PolarHBondContact O-N 3.02Å; V213-F215 VanDerWaalsContact C-N 3.33Å; F215-G218 PolarHBondContact O-N 3.05Å; F215-L219 HydrophobicContact CE1-CD2 4.02Å; F215-L219 HydrophobicContact CZ-CD2 4.35Å; F215-L219 WeakPolarHBondContact O-CB 3.41Å; F215-L219 PolarHBondContact O-N 3.11Å
216	F	96.1	Very high	94.1	Very high	9 Å²	9	54 Å²	54	4%	0.039	28%	0.281	C	S	.	.	H	α-helix	trans	-69.6	-39.8	-178.4	-87.3	-80.6	0	0	0	113.1	C64 I67 L68 F212 V213 L219 V220 V273 M277	C64-F216 HydrophobicContact CB-CE1 4.3Å; I67-F216 HydrophobicContact CG2-CE2 4.33Å; I67-F216 HydrophobicContact CG2-CZ 3.77Å; L68-F216 HydrophobicContact CD1-CE1 4.21Å; L68-F216 HydrophobicContact CD1-CE2 4.11Å; L68-F216 HydrophobicContact CD1-CZ 3.79Å; L68-F216 HydrophobicContact CD2-CE2 3.89Å; L68-F216 HydrophobicContact CD2-CZ 4.14Å; L68-F216 HydrophobicContact CG-CE2 4.07Å; L68-F216 HydrophobicContact CG-CZ 3.79Å; F212-F216 HydrophobicContact CD2-CD2 4.05Å; F212-F216 HydrophobicContact CD2-CE2 4.41Å; F212-F216 VanDerWaalsContact O-CD2 3.31Å; F212-F216 WeakPolarHBondContact O-CD2 3.5Å; F212-F216 PolarHBondContact O-N 3.07Å; V213-F216 PolarHBondContact O-N 3.1Å; F216-L219 PolarHBondContact O-N 3.13Å; F216-V220 WeakPolarHBondContact O-CG2 3.14Å; F216-V220 PolarHBondContact O-N 3.06Å; F216-V220 VanDerWaalsContact O-N 3.12Å; F216-V273 HydrophobicContact CD1-CB 4.3Å; F216-V273 HydrophobicContact CD1-CG1 4.42Å; F216-V273 HydrophobicContact CE1-CB 4.23Å; F216-V273 HydrophobicContact CE1-CG1 4.11Å; F216-M277 HydrophobicContact CB-CE 4.08Å; F216-M277 HydrophobicContact CB-SD 4.15Å; F216-M277 HydrophobicContact CD1-CG 4.11Å; F216-M277 HydrophobicContact CD1-SD 3.75Å; F216-M277 HydrophobicContact CE1-CG 4.43Å; F216-M277 HydrophobicContact CG-SD 4.22Å
217	I	94.8	Very high	94.3	Very high	101 Å²	101	52 Å²	52	52%	0.518	28%	0.276	S	S	.	.	H	α-helix	trans	-59.3	-51.1	173.8	-69.1	169.3	0	0	0	109.4	V213 L219 V220 I221	V213-I217 HydrophobicContact CG1-CD1 3.93Å; V213-I217 VanDerWaalsContact O-CG1 3.31Å; V213-I217 WeakPolarHBondContact O-CG1 3.45Å; V213-I217 PolarHBondContact O-N 3.42Å; I217-L219 VanDerWaalsContact C-N 3.33Å; I217-L219 PolarHBondContact O-N 3.27Å; I217-V220 PolarHBondContact O-N 3.23Å; I217-I221 WeakPolarHBondContact O-CG1 3.22Å; I217-I221 PolarHBondContact O-N 2.94Å
218	G	95.3	Very high	94.4	Very high	7 Å²	7	47 Å²	47	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-59	-42.5	177.9	0	0	0	0	0	112.6	I214 F215 V220 I221 H222	I214-G218 PolarHBondContact O-N 3.24Å; F215-G218 PolarHBondContact O-N 3.05Å; G218-V220 PolarHBondContact O-N 3.33Å; G218-I221 WeakPolarHBondContact O-CG1 3.44Å; G218-I221 PolarHBondContact O-N 2.97Å; G218-H222 WeakPolarHBondContact O-CB 3.15Å; G218-H222 PolarHBondContact O-N 2.92Å
219	L	94.9	Very high	94.4	Very high	14 Å²	14	46.8 Å²	46.8	7%	0.073	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-42.2	179.7	-173.9	64.5	0	0	0	112.1	C64 F215 F216 I217 T269 V273	C64-L219 HydrophobicContact CB-CD2 3.83Å; F215-L219 HydrophobicContact CE1-CD2 4.02Å; F215-L219 HydrophobicContact CZ-CD2 4.35Å; F215-L219 WeakPolarHBondContact O-CB 3.41Å; F215-L219 PolarHBondContact O-N 3.11Å; F216-L219 PolarHBondContact O-N 3.13Å; I217-L219 VanDerWaalsContact C-N 3.33Å; I217-L219 PolarHBondContact O-N 3.27Å; L219-T269 HydrophobicContact CD1-CG2 4.4Å; L219-T269 HydrophobicContact CD2-CG2 4.26Å; L219-T269 HydrophobicContact CG-CG2 3.73Å; L219-V273 HydrophobicContact CD2-CG1 4.33Å
220	V	94.4	Very high	94.4	Very high	49 Å²	49	44.3 Å²	44.3	30%	0.297	24%	0.242	S	C	.	.	H	α-helix	trans	-64.8	-42	178.1	170.7	0	0	0	0	111.8	F216 I217 G218 W270 V273	F216-V220 WeakPolarHBondContact O-CG2 3.14Å; F216-V220 PolarHBondContact O-N 3.06Å; F216-V220 VanDerWaalsContact O-N 3.12Å; I217-V220 PolarHBondContact O-N 3.23Å; G218-V220 PolarHBondContact O-N 3.33Å; V220-W270 HydrophobicContact CG1-CB 4.35Å; V220-V273 HydrophobicContact CG2-CG2 3.66Å
221	I	94.8	Very high	94.4	Very high	75 Å²	75	41 Å²	41	39%	0.385	23%	0.226	S	C	.	.	H	α-helix	trans	-81.6	-22.3	-178.7	64.7	173.5	0	0	0	113.3	T178 I217 G218 G223 A224	T178-I221 HydrophobicContact CG2-CD1 3.58Å; T178-I221 HydrophobicContact CG2-CG1 3.76Å; I217-I221 WeakPolarHBondContact O-CG1 3.22Å; I217-I221 PolarHBondContact O-N 2.94Å; G218-I221 WeakPolarHBondContact O-CG1 3.44Å; G218-I221 PolarHBondContact O-N 2.97Å; I221-G223 VanDerWaalsContact C-N 3.26Å; I221-G223 PolarHBondContact O-N 3.46Å; I221-A224 WeakPolarHBondContact O-CB 3.48Å; I221-A224 PolarHBondContact O-N 3.09Å
222	H	94.9	Very high	94.4	Very high	34 Å²	34	40 Å²	40	16%	0.157	22%	0.222	C	C	.	.	H	α-helix	trans	-54.7	-40.6	-172.9	179.1	69.6	0	0	0	113	H115 A175 T178 G179 I182 G218 A224	H115-H222 AromaticContact NE2-NE2 3.8Å; A175-H222 PolarHBondContact O-CE1 2.83Å; A175-H222 PolarHBondContact O-ND1 3.07Å; A175-H222 VanDerWaalsContact O-ND1 3.12Å; T178-H222 WeakPolarHBondContact OG1-CA 3.44Å; T178-H222 PolarHBondContact OG1-ND1 3.21Å; G179-H222 PolarHBondContact N-ND1 3.43Å; I182-H222 HydrophobicContact CD1-CB 4.37Å; G218-H222 WeakPolarHBondContact O-CB 3.15Å; G218-H222 PolarHBondContact O-N 2.92Å; H222-A224 PolarHBondContact O-N 3.26Å
223	G	91.7	Very high	94.3	Very high	27 Å²	27	41.6 Å²	41.6	28%	0.278	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-81	-6.5	179	0	0	0	0	0	115.5	I221 G225 R226	I221-G223 VanDerWaalsContact C-N 3.26Å; I221-G223 PolarHBondContact O-N 3.46Å; G223-G225 PolarHBondContact O-N 3.03Å; G223-R226 PolarHBondContact O-N 2.99Å
224	A	92.9	Very high	94.3	Very high	49 Å²	49	44.6 Å²	44.6	41%	0.405	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-67.1	-23.7	-170.7	0	0	0	0	0	113.4	L174 I221 H222 R226	L174-A224 HydrophobicContact CD2-CB 3.92Å; I221-A224 WeakPolarHBondContact O-CB 3.48Å; I221-A224 PolarHBondContact O-N 3.09Å; H222-A224 PolarHBondContact O-N 3.26Å; A224-R226 PolarHBondContact O-N 3.13Å
225	G	89.6	Confident	94.2	Very high	31 Å²	31	41.1 Å²	41.1	32%	0.32	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-71.2	-8.2	177.8	0	0	0	0	0	115.2	G223 I227	G223-G225 PolarHBondContact O-N 3.03Å; G225-I227 PolarHBondContact O-N 2.75Å
226	R	93.3	Very high	94.1	Very high	131 Å²	131	42.5 Å²	42.5	49%	0.494	24%	0.243	S	C	.	.			trans	46.5	39.2	177	-51.4	-171.2	-173.6	-177.3	1.5	114.3	G223 A224 V228 G264 N265	G223-R226 PolarHBondContact O-N 2.99Å; A224-R226 PolarHBondContact O-N 3.13Å; R226-V228 PolarHBondContact O-N 2.63Å; R226-G264 WeakPolarHBondContact O-CA 3.25Å; R226-N265 WeakPolarHBondContact CG-O 3.45Å
227	I	91.4	Very high	94	Very high	39 Å²	39	46.3 Å²	46.3	20%	0.2	28%	0.276	C	S	.	.			trans	-69	-21	-173.6	60.6	164.2	0	0	0	113.5	F155 A175 G225 R229	F155-I227 HydrophobicContact CB-CB 4.45Å; F155-I227 HydrophobicContact CB-CG2 4.48Å; F155-I227 HydrophobicContact CD1-CB 4.2Å; F155-I227 HydrophobicContact CD2-CG2 4.48Å; F155-I227 HydrophobicContact CG-CB 4.17Å; F155-I227 HydrophobicContact CG-CG2 4.35Å; A175-I227 HydrophobicContact CB-CD1 3.67Å; A175-I227 HydrophobicContact CB-CG1 4.26Å; A175-I227 HydrophobicContact CB-CG2 4.36Å; G225-I227 PolarHBondContact O-N 2.75Å; I227-R229 PolarHBondContact O-N 3.02Å
228	V	92.2	Very high	93.9	Very high	13 Å²	13	48.6 Å²	48.6	8%	0.079	28%	0.284	C	S	.	.			trans	-88.4	108.5	175.7	179.1	0	0	0	0	108.4	Y33 L50 R226 N265	Y33-V228 HydrophobicContact CE1-CG1 3.93Å; L50-V228 HydrophobicContact CD1-CG1 3.76Å; R226-V228 PolarHBondContact O-N 2.63Å; V228-N265 PolarHBondContact O-N 3.44Å
229	R	94.4	Very high	93.8	Very high	31 Å²	31	48.3 Å²	48.3	12%	0.117	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.9	-173.8	-52.1	-177.2	70.6	96.3	-6.4	110.9	T42 Y152 L153 I227 F262 S263	T42-R229 VanDerWaalsContact CG2-O 3.29Å; T42-R229 WeakPolarHBondContact CG2-O 3.45Å; T42-R229 PolarHBondContact OG1-O 3.13Å; Y152-R229 VanDerWaalsContact CE2-CD 3.41Å; Y152-R229 VanDerWaalsContact O-CD 3.3Å; Y152-R229 WeakPolarHBondContact O-CD 3.42Å; Y152-R229 PolarHBondContact O-NE 3.45Å; Y152-R229 PolarHBondContact OH-NH1 3.29Å; Y152-R229 VanDerWaalsContact OH-NH1 3.12Å; L153-R229 HydrophobicContact CD1-CB 4.19Å; I227-R229 PolarHBondContact O-N 3.02Å; R229-F262 PolarHBondContact NH2-O 3.19Å; R229-S263 VanDerWaalsContact CA-O 3.27Å; R229-S263 WeakPolarHBondContact CA-O 3.49Å
230	G	95.1	Very high	93.8	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	167.3	173.4	0	0	0	0	0	110	F262 S263	G230-F262 WeakPolarHBondContact O-CA 3.33Å; G230-S263 PolarHBondContact N-O 2.82Å; G230-S263 PolarHBondContact O-N 3.1Å
231	Q	96	Very high	93.7	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	140.8	178.8	-163.2	176.7	2.5	0	0	110.3	K38 S235 L236 H239 P241 Q261 F262	K38-Q231 WeakPolarHBondContact CG-O 3.45Å; K38-Q231 PolarHBondContact O-N 3.33Å; Q231-S235 WeakPolarHBondContact CG-OG 3.45Å; Q231-S235 PolarHBondContact NE2-O 3.19Å; Q231-S235 PolarHBondContact NE2-OG 3.06Å; Q231-L236 HydrophobicContact CB-CD1 4.32Å; Q231-L236 HydrophobicContact CB-CG 4.1Å; Q231-L236 HydrophobicContact CG-CG 3.97Å; Q231-H239 PolarHBondContact NE2-O 3.28Å; Q231-P241 VanDerWaalsContact OE1-CG 3.27Å; Q231-Q261 WeakPolarHBondContact CA-O 3.42Å; Q231-F262 HydrophobicContact CB-CD1 4.34Å; Q231-F262 HydrophobicContact CB-CE1 4.25Å
232	T	95.8	Very high	93.5	Very high	23 Å²	23	49.7 Å²	49.7	14%	0.141	29%	0.288	C	S	.	.			trans	-72.2	159.9	176.6	75.4	0	0	0	0	110.9	E234 S235 L236 Q261	T232-E234 VanDerWaalsContact C-N 3.3Å; T232-E234 WeakPolarHBondContact CB-OE2 3.48Å; T232-E234 PolarHBondContact O-N 3.12Å; T232-E234 PolarHBondContact OG1-OE2 2.88Å; T232-S235 PolarHBondContact O-N 3.31Å; T232-S235 VanDerWaalsContact OG1-CB 3.26Å; T232-S235 WeakPolarHBondContact OG1-CB 3.47Å; T232-S235 PolarHBondContact OG1-N 3.41Å; T232-S235 VanDerWaalsContact OG1-N 3.16Å; T232-L236 WeakPolarHBondContact O-CB 3.36Å; T232-L236 WeakPolarHBondContact O-CD1 3.46Å; T232-L236 PolarHBondContact O-N 2.98Å; T232-Q261 HydrophobicContact CG2-CB 4.36Å; T232-Q261 PolarHBondContact N-O 3.42Å
233	A	94.3	Very high	93.3	Very high	72 Å²	72	53.2 Å²	53.2	60%	0.595	31%	0.307	S	S	*	.	H	α-helix	trans	-65.4	-37.2	-179.5	0	0	0	0	0	111.5	L236 A237	A233-L236 PolarHBondContact O-N 3.07Å; A233-A237 PolarHBondContact O-N 3.37Å
234	E	94.3	Very high	93.4	Very high	133 Å²	133	52.1 Å²	52.1	62%	0.621	30%	0.295	S	S	*	.	H	α-helix	trans	-65	-45.6	176.6	-52.6	74.8	-159.9	0	0	110.2	T232 L236 A237 E238	T232-E234 VanDerWaalsContact C-N 3.3Å; T232-E234 WeakPolarHBondContact CB-OE2 3.48Å; T232-E234 PolarHBondContact O-N 3.12Å; T232-E234 PolarHBondContact OG1-OE2 2.88Å; E234-L236 PolarHBondContact O-N 3.44Å; E234-A237 WeakPolarHBondContact O-CB 3.29Å; E234-A237 PolarHBondContact O-N 3.14Å; E234-E238 PolarHBondContact O-N 3.17Å
235	S	94.3	Very high	93.3	Very high	9 Å²	9	50.5 Å²	50.5	6%	0.063	28%	0.281	C	S	.	.	H	α-helix	trans	-63	-41	175.6	173.2	0	0	0	0	112	Q231 T232 A237 E238 H239 P260 Q261	Q231-S235 WeakPolarHBondContact CG-OG 3.45Å; Q231-S235 PolarHBondContact NE2-O 3.19Å; Q231-S235 PolarHBondContact NE2-OG 3.06Å; T232-S235 PolarHBondContact O-N 3.31Å; T232-S235 VanDerWaalsContact OG1-CB 3.26Å; T232-S235 WeakPolarHBondContact OG1-CB 3.47Å; T232-S235 PolarHBondContact OG1-N 3.41Å; T232-S235 VanDerWaalsContact OG1-N 3.16Å; S235-A237 VanDerWaalsContact C-N 3.25Å; S235-A237 PolarHBondContact O-N 2.94Å; S235-E238 PolarHBondContact O-N 3.09Å; S235-H239 WeakPolarHBondContact O-CA 3.43Å; S235-H239 WeakPolarHBondContact O-CB 3.36Å; S235-H239 PolarHBondContact O-N 2.95Å; S235-P260 WeakPolarHBondContact OG-CA 3.1Å; S235-Q261 PolarHBondContact OG-N 3.15Å; S235-Q261 PolarHBondContact OG-O 3.07Å
236	L	95	Very high	93.4	Very high	45 Å²	45	56.9 Å²	56.9	24%	0.236	30%	0.3	C	S	.	.	H	α-helix	trans	-61.7	-31.9	176.5	-89.4	153.1	0	0	0	113.2	P37 K38 Q231 T232 A233 E234 E238 P241	P37-L236 HydrophobicContact CB-CD2 3.99Å; P37-L236 HydrophobicContact CG-CD2 4.12Å; K38-L236 HydrophobicContact CB-CD1 3.96Å; K38-L236 HydrophobicContact CG-CD1 4.33Å; Q231-L236 HydrophobicContact CB-CD1 4.32Å; Q231-L236 HydrophobicContact CB-CG 4.1Å; Q231-L236 HydrophobicContact CG-CG 3.97Å; T232-L236 WeakPolarHBondContact O-CB 3.36Å; T232-L236 WeakPolarHBondContact O-CD1 3.46Å; T232-L236 PolarHBondContact O-N 2.98Å; A233-L236 PolarHBondContact O-N 3.07Å; E234-L236 PolarHBondContact O-N 3.44Å; L236-E238 VanDerWaalsContact C-N 3.35Å; L236-P241 HydrophobicContact CD2-CG 4.25Å
237	A	94.1	Very high	93.3	Very high	89 Å²	89	55.3 Å²	55.3	74%	0.736	30%	0.302	S	S	*	.	H	α-helix	trans	-70	-33.6	179.5	0	0	0	0	0	112.3	A233 E234 S235	A233-A237 PolarHBondContact O-N 3.37Å; E234-A237 WeakPolarHBondContact O-CB 3.29Å; E234-A237 PolarHBondContact O-N 3.14Å; S235-A237 VanDerWaalsContact C-N 3.25Å; S235-A237 PolarHBondContact O-N 2.94Å
238	E	93.4	Very high	93.3	Very high	148 Å²	148	55.6 Å²	55.6	69%	0.692	30%	0.301	S	S	*	.	H	α-helix	trans	-101	-25.2	-177.4	-58.9	-178.4	173.7	0	0	113.2	E234 S235 L236 P258	E234-E238 PolarHBondContact O-N 3.17Å; S235-E238 PolarHBondContact O-N 3.09Å; L236-E238 VanDerWaalsContact C-N 3.35Å; E238-P258 HydrophobicContact CB-CG 3.88Å
239	H	93.4	Very high	93.1	Very high	1 Å²	1	59.7 Å²	59.7	1%	0.005	33%	0.327	C	S	.	.			trans	-122.7	93.3	-176.4	-173.8	114.6	0	0	0	109.9	Y41 Q231 S235 P241 C244 W251 P258 P260	Y41-H239 AromaticContact CE2-CD2 3.67Å; Y41-H239 AromaticContact CE2-NE2 3.35Å; Y41-H239 VanDerWaalsContact CE2-NE2 3.35Å; Y41-H239 WeakPolarHBondContact CE2-NE2 3.33Å; Y41-H239 AromaticContact CZ-NE2 3.36Å; Y41-H239 PolarHBondContact OH-NE2 3.32Å; Q231-H239 PolarHBondContact NE2-O 3.28Å; S235-H239 WeakPolarHBondContact O-CA 3.43Å; S235-H239 WeakPolarHBondContact O-CB 3.36Å; S235-H239 PolarHBondContact O-N 2.95Å; H239-P241 WeakPolarHBondContact O-CD 3.25Å; H239-C244 VanDerWaalsContact CE1-CB 3.5Å; H239-C244 WeakPolarHBondContact CE1-CB 3.34Å; H239-C244 WeakPolarHBondContact NE2-CB 3.35Å; H239-W251 AromaticContact CE1-CD2 3.96Å; H239-W251 AromaticContact CE1-CE2 3.47Å; H239-W251 VanDerWaalsContact CE1-CE2 3.47Å; H239-W251 AromaticContact CE1-CZ2 3.69Å; H239-W251 AromaticContact CE1-NE1 3.61Å; H239-W251 AromaticContact NE2-CE2 3.96Å; H239-W251 AromaticContact NE2-CZ2 3.73Å; H239-P258 HydrophobicContact CB-CG 4.25Å; H239-P258 PolarHBondContact CE1-O 3.45Å; H239-P258 PolarHBondContact ND1-O 3.17Å; H239-P260 VanDerWaalsContact CE1-CD 3.47Å; H239-P260 WeakPolarHBondContact CE1-CD 3.27Å
240	N	93.8	Very high	92.9	Very high	71 Å²	71	61 Å²	61	38%	0.38	34%	0.336	S	S	.	.			trans	-78.1	116.5	176.1	-175.9	-33.4	0	0	0	110.7	D242 I243 C244	N240-D242 VanDerWaalsContact C-N 3.32Å; N240-D242 PolarHBondContact O-N 2.95Å; N240-D242 PolarHBondContact OD1-N 3.47Å; N240-I243 HydrophobicContact CB-CD1 4.45Å; N240-I243 PolarHBondContact O-N 3.14Å; N240-C244 WeakPolarHBondContact O-CB 3.42Å; N240-C244 PolarHBondContact O-N 2.88Å; N240-C244 PolarHBondContact O-SG 3.21Å
241	P	93.7	Very high	92.7	Very high	2 Å²	2	62.3 Å²	62.3	1%	0.013	34%	0.341	C	S	.	.	H	α-helix	trans	-58.4	-36.9	-175.9	-26.6	36.6	0	0	0	115.1	P37 F40 Y41 Q231 L236 H239 I243 A245	P37-P241 HydrophobicContact CB-CG 4.35Å; F40-P241 HydrophobicContact CB-CB 3.8Å; F40-P241 HydrophobicContact CB-CG 4.26Å; F40-P241 HydrophobicContact CD1-CB 3.63Å; F40-P241 HydrophobicContact CD2-CB 4.41Å; F40-P241 HydrophobicContact CE1-CB 4.33Å; F40-P241 HydrophobicContact CG-CB 3.69Å; Y41-P241 HydrophobicContact CE2-CB 3.9Å; Y41-P241 HydrophobicContact CE2-CG 4.06Å; Y41-P241 WeakPolarHBondContact OH-CA 3.19Å; Y41-P241 PolarHBondContact OH-O 3.5Å; Q231-P241 VanDerWaalsContact OE1-CG 3.27Å; L236-P241 HydrophobicContact CD2-CG 4.25Å; H239-P241 WeakPolarHBondContact O-CD 3.25Å; P241-I243 VanDerWaalsContact C-N 3.25Å; P241-I243 PolarHBondContact O-N 3.47Å; P241-A245 WeakPolarHBondContact O-CB 3.34Å; P241-A245 PolarHBondContact O-N 2.92Å
242	D	90.3	Very high	92.2	Very high	94 Å²	94	64.7 Å²	64.7	50%	0.503	37%	0.365	S	S	.	.	H	α-helix	trans	-68.7	-27	-174.5	-62.7	-47	0	0	0	112.7	N240 K246	N240-D242 VanDerWaalsContact C-N 3.32Å; N240-D242 PolarHBondContact O-N 2.95Å; N240-D242 PolarHBondContact OD1-N 3.47Å; D242-K246 WeakPolarHBondContact O-CE 3.37Å
243	I	91.1	Very high	92	Very high	109 Å²	109	69.2 Å²	69.2	56%	0.559	38%	0.383	S	S	*	.	H	α-helix	trans	-95.2	-52.3	178.2	-58.3	173.8	0	0	0	109.4	N240 P241 A245 K246	N240-I243 HydrophobicContact CB-CD1 4.45Å; N240-I243 PolarHBondContact O-N 3.14Å; P241-I243 VanDerWaalsContact C-N 3.25Å; P241-I243 PolarHBondContact O-N 3.47Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 2.92Å; I243-K246 PolarHBondContact O-N 3.06Å
244	C	92.5	Very high	91.3	Very high	4 Å²	4	76.3 Å²	76.3	3%	0.027	40%	0.4	C	S	.	.	H	α-helix	trans	-70.8	-26.9	-170.5	-64.1	0	0	0	0	113.2	H239 N240 K246 N247 W251 C257	H239-C244 VanDerWaalsContact CE1-CB 3.5Å; H239-C244 WeakPolarHBondContact CE1-CB 3.34Å; H239-C244 WeakPolarHBondContact NE2-CB 3.35Å; N240-C244 WeakPolarHBondContact O-CB 3.42Å; N240-C244 PolarHBondContact O-N 2.88Å; N240-C244 PolarHBondContact O-SG 3.21Å; C244-K246 PolarHBondContact O-N 3.25Å; C244-N247 PolarHBondContact O-N 3.37Å; C244-W251 PolarHBondContact O-NE1 3.35Å; C244-C257 WeakPolarHBondContact CA-SG 3.07Å; C244-C257 HydrophobicContact CB-CB 3.63Å; C244-C257 WeakPolarHBondContact CB-SG 3.44Å; C244-C257 WeakPolarHBondContact SG-CB 3.19Å; C244-C257 CovalentContact SG-SG 2.03Å; C244-C257 PolarHBondContact SG-SG 3.05Å
245	A	92.5	Very high	90.7	Very high	14 Å²	14	74.2 Å²	74.2	12%	0.116	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24.8	175.7	0	0	0	0	0	113.6	F40 Y41 L137 P241 I243 F248	F40-A245 HydrophobicContact CE1-CB 3.7Å; F40-A245 HydrophobicContact CZ-CB 4.22Å; Y41-A245 HydrophobicContact CE1-CB 3.81Å; Y41-A245 PolarHBondContact OH-N 3.34Å; Y41-A245 VanDerWaalsContact OH-N 3.16Å; L137-A245 HydrophobicContact CD2-CB 4.17Å; P241-A245 WeakPolarHBondContact O-CB 3.34Å; P241-A245 PolarHBondContact O-N 2.92Å; I243-A245 VanDerWaalsContact C-N 3.33Å; I243-A245 PolarHBondContact O-N 2.92Å; A245-F248 WeakPolarHBondContact O-CD1 3.39Å
246	K	91.4	Very high	90.4	Very high	165 Å²	165	75.7 Å²	75.7	72%	0.717	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-32.7	-179.6	-62	178.8	-174.7	174	0	112.5	D242 I243 C244	D242-K246 WeakPolarHBondContact O-CE 3.37Å; I243-K246 PolarHBondContact O-N 3.06Å; C244-K246 PolarHBondContact O-N 3.25Å
247	N	91.1	Very high	90.2	Very high	99 Å²	99	74.9 Å²	74.9	53%	0.529	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	44.6	-177.4	-64	-14.3	0	0	0	111.5	C244 T249 D250	C244-N247 PolarHBondContact O-N 3.37Å; N247-T249 PolarHBondContact O-N 2.6Å; N247-D250 PolarHBondContact O-N 3.38Å
248	F	90.6	Very high	90.2	Very high	45 Å²	45	72.8 Å²	72.8	20%	0.197	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-67.7	-19.6	-171.9	68	-89.4	0	0	0	114.8	G135 L137 V140 A245 D250 W251	G135-F248 WeakPolarHBondContact O-CZ 3.34Å; L137-F248 HydrophobicContact CB-CD1 4.28Å; L137-F248 HydrophobicContact CB-CD2 4.49Å; L137-F248 HydrophobicContact CB-CE1 4.43Å; L137-F248 HydrophobicContact CB-CG 4.32Å; L137-F248 HydrophobicContact CD1-CB 3.66Å; L137-F248 HydrophobicContact CD1-CD1 4.42Å; L137-F248 HydrophobicContact CD1-CD2 4.4Å; L137-F248 HydrophobicContact CD1-CG 3.92Å; V140-F248 HydrophobicContact CG2-CD2 4Å; V140-F248 HydrophobicContact CG2-CE2 4.22Å; A245-F248 WeakPolarHBondContact O-CD1 3.39Å; F248-D250 PolarHBondContact O-N 3.44Å; F248-W251 HydrophobicContact CB-CD2 4.26Å; F248-W251 HydrophobicContact CB-CH2 4.24Å; F248-W251 HydrophobicContact CB-CZ2 3.79Å
249	T	88.4	Confident	90.1	Very high	99 Å²	99	68.9 Å²	68.9	61%	0.607	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-72.4	-16.6	175.5	51.3	0	0	0	0	113.7	N247	N247-T249 PolarHBondContact O-N 2.6Å
250	D	89.1	Confident	90.2	Very high	58 Å²	58	68.9 Å²	68.9	31%	0.31	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-105.1	3.6	-176.1	-63.9	-37.7	0	0	0	113.3	N247 F248 G252 K253 A256	N247-D250 PolarHBondContact O-N 3.38Å; F248-D250 PolarHBondContact O-N 3.44Å; D250-G252 PolarHBondContact O-N 3.32Å; D250-K253 HydrophobicContact CB-CD 4.14Å; D250-K253 WeakPolarHBondContact O-CB 3.45Å; D250-K253 WeakPolarHBondContact O-CG 3.49Å; D250-K253 PolarHBondContact O-N 2.59Å; D250-K253 VanDerWaalsContact O-N 3.12Å; D250-K253 IonicContact OD1-NZ 2.69Å; D250-K253 PolarHBondContact OD1-NZ 2.74Å; D250-A256 HydrophobicContact CB-CB 4.02Å; D250-A256 WeakPolarHBondContact O-CB 3.29Å
251	W	92.1	Very high	90.2	Very high	28 Å²	28	69 Å²	69	11%	0.106	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	133.6	179.5	-70.6	-4.4	0	0	0	112.2	Y41 L137 V140 L141 H239 C244 F248 K253 C257 I259 P260	Y41-W251 HydrophobicContact CD1-CH2 4.37Å; Y41-W251 AromaticContact CE1-CH2 3.76Å; Y41-W251 HydrophobicContact CE1-CH2 3.76Å; Y41-W251 AromaticContact CE1-CZ2 3.92Å; Y41-W251 HydrophobicContact CE1-CZ2 3.92Å; Y41-W251 AromaticContact CZ-CH2 3.92Å; Y41-W251 AromaticContact CZ-CZ2 3.82Å; L137-W251 HydrophobicContact CD1-CH2 3.59Å; L137-W251 HydrophobicContact CD1-CZ2 4.07Å; L137-W251 HydrophobicContact CD1-CZ3 4.32Å; V140-W251 HydrophobicContact CG1-CE3 4.17Å; V140-W251 HydrophobicContact CG1-CZ3 4.14Å; L141-W251 HydrophobicContact CD2-CH2 3.95Å; L141-W251 HydrophobicContact CD2-CZ3 3.97Å; H239-W251 AromaticContact CE1-CD2 3.96Å; H239-W251 AromaticContact CE1-CE2 3.47Å; H239-W251 VanDerWaalsContact CE1-CE2 3.47Å; H239-W251 AromaticContact CE1-CZ2 3.69Å; H239-W251 AromaticContact CE1-NE1 3.61Å; H239-W251 AromaticContact NE2-CE2 3.96Å; H239-W251 AromaticContact NE2-CZ2 3.73Å; C244-W251 PolarHBondContact O-NE1 3.35Å; F248-W251 HydrophobicContact CB-CD2 4.26Å; F248-W251 HydrophobicContact CB-CH2 4.24Å; F248-W251 HydrophobicContact CB-CZ2 3.79Å; W251-K253 VanDerWaalsContact C-N 3.31Å; W251-K253 PolarHBondContact O-N 2.91Å; W251-C257 WeakPolarHBondContact CA-O 3.39Å; W251-I259 HydrophobicContact CB-CG1 4.43Å; W251-P260 HydrophobicContact CE3-CG 4.11Å; W251-P260 HydrophobicContact CH2-CG 4.01Å; W251-P260 HydrophobicContact CZ3-CG 3.74Å
252	G	85.9	Confident	90.3	Very high	50 Å²	50	69 Å²	69	52%	0.515	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.1	-4	-179	0	0	0	0	0	115.4	D250 C257	D250-G252 PolarHBondContact O-N 3.32Å; G252-C257 PolarHBondContact N-O 2.7Å
253	K	89.9	Confident	90.5	Very high	118 Å²	118	66.9 Å²	66.9	51%	0.513	38%	0.378	S	S	.	.	S	Bend	trans	-77.2	151.6	172.3	-62.4	179	-172.6	169.1	0	111.3	D250 W251 G255 A256	D250-K253 HydrophobicContact CB-CD 4.14Å; D250-K253 WeakPolarHBondContact O-CB 3.45Å; D250-K253 WeakPolarHBondContact O-CG 3.49Å; D250-K253 PolarHBondContact O-N 2.59Å; D250-K253 VanDerWaalsContact O-N 3.12Å; D250-K253 IonicContact OD1-NZ 2.69Å; D250-K253 PolarHBondContact OD1-NZ 2.74Å; W251-K253 VanDerWaalsContact C-N 3.31Å; W251-K253 PolarHBondContact O-N 2.91Å; K253-G255 PolarHBondContact O-N 3.07Å; K253-A256 HydrophobicContact CB-CB 4.07Å; K253-A256 WeakPolarHBondContact O-CB 3.16Å; K253-A256 PolarHBondContact O-N 3.3Å
254	K	81.4	Confident	90.6	Very high	221 Å²	221	62.2 Å²	62.2	96%	0.961	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	119.6	178.2	-171.4	176.6	-178.9	179.6	0	110.3
255	G	80.8	Confident	90.5	Very high	89 Å²	89	63.2 Å²	63.2	92%	0.918	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-1.1	-177.1	0	0	0	0	0	115.1	K253	K253-G255 PolarHBondContact O-N 3.07Å
256	A	88	Confident	90.4	Very high	40 Å²	40	66.1 Å²	66.1	33%	0.331	38%	0.38	S	S	.	.	S	Bend	trans	-101.2	178	172.2	0	0	0	0	0	111.3	D250 K253	D250-A256 HydrophobicContact CB-CB 4.02Å; D250-A256 WeakPolarHBondContact O-CB 3.29Å; K253-A256 HydrophobicContact CB-CB 4.07Å; K253-A256 WeakPolarHBondContact O-CB 3.16Å; K253-A256 PolarHBondContact O-N 3.3Å
257	C	91.3	Very high	90.3	Very high	28 Å²	28	59.9 Å²	59.9	19%	0.189	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-61.2	135.9	177.3	-67.6	0	0	0	0	111.4	C244 W251 G252	C244-C257 WeakPolarHBondContact CA-SG 3.07Å; C244-C257 HydrophobicContact CB-CB 3.63Å; C244-C257 WeakPolarHBondContact CB-SG 3.44Å; C244-C257 WeakPolarHBondContact SG-CB 3.19Å; C244-C257 CovalentContact SG-SG 2.03Å; C244-C257 PolarHBondContact SG-SG 3.05Å; W251-C257 WeakPolarHBondContact CA-O 3.39Å; G252-C257 PolarHBondContact N-O 2.7Å
258	P	92.9	Very high	90.3	Very high	46 Å²	46	59 Å²	59	30%	0.299	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-65	163.5	173.8	26.8	-31.5	0	0	0	110.6	E238 H239	E238-P258 HydrophobicContact CB-CG 3.88Å; H239-P258 HydrophobicContact CB-CG 4.25Å; H239-P258 PolarHBondContact CE1-O 3.45Å; H239-P258 PolarHBondContact ND1-O 3.17Å
259	I	92.3	Very high	90.4	Very high	66 Å²	66	57.7 Å²	57.7	34%	0.338	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-71.2	127.1	178.8	-62.3	173.4	0	0	0	109.2	L144 W251 Q261	L144-I259 HydrophobicContact CD2-CG2 3.72Å; W251-I259 HydrophobicContact CB-CG1 4.43Å; I259-Q261 PolarHBondContact O-N 2.92Å; I259-Q261 PolarHBondContact O-NE2 3.08Å
260	P	94.4	Very high	90.6	Very high	1 Å²	1	59 Å²	59	1%	0.006	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-67.5	131.9	-175.1	26.2	-30.7	0	0	0	110.9	Y41 L144 S235 H239 W251 F262	Y41-P260 HydrophobicContact CE2-CB 4.37Å; L144-P260 HydrophobicContact CD1-CG 4.2Å; S235-P260 WeakPolarHBondContact OG-CA 3.1Å; H239-P260 VanDerWaalsContact CE1-CD 3.47Å; H239-P260 WeakPolarHBondContact CE1-CD 3.27Å; W251-P260 HydrophobicContact CE3-CG 4.11Å; W251-P260 HydrophobicContact CH2-CG 4.01Å; W251-P260 HydrophobicContact CZ3-CG 3.74Å; P260-F262 HydrophobicContact CB-CE2 3.97Å; P260-F262 HydrophobicContact CB-CZ 3.86Å; P260-F262 HydrophobicContact CG-CE2 3.9Å; P260-F262 HydrophobicContact CG-CZ 3.94Å; P260-F262 WeakPolarHBondContact O-CD2 3.42Å; P260-F262 VanDerWaalsContact O-CE2 3.28Å; P260-F262 WeakPolarHBondContact O-CE2 3.42Å
261	Q	95.1	Very high	90.8	Very high	72 Å²	72	61.8 Å²	61.8	34%	0.336	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-96.1	143.1	175.4	-53.6	-58.6	-45.9	0	0	112.9	S151 Q231 T232 S235 I259	S151-Q261 WeakPolarHBondContact OG-CA 3.38Å; S151-Q261 PolarHBondContact OG-OE1 3.47Å; Q231-Q261 WeakPolarHBondContact CA-O 3.42Å; T232-Q261 HydrophobicContact CG2-CB 4.36Å; T232-Q261 PolarHBondContact N-O 3.42Å; S235-Q261 PolarHBondContact OG-N 3.15Å; S235-Q261 PolarHBondContact OG-O 3.07Å; I259-Q261 PolarHBondContact O-N 2.92Å; I259-Q261 PolarHBondContact O-NE2 3.08Å
262	F	95.6	Very high	90.9	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.018	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	139.1	-173.2	-60.3	-79.1	0	0	0	113.4	Y41 L141 L144 S151 Y152 L153 R229 G230 Q231 P260	Y41-F262 HydrophobicContact CD2-CE1 4.22Å; Y41-F262 HydrophobicContact CD2-CZ 4.06Å; Y41-F262 HydrophobicContact CG-CE1 4.49Å; Y41-F262 HydrophobicContact CG-CZ 4.27Å; L141-F262 HydrophobicContact CD2-CE2 4.46Å; L141-F262 HydrophobicContact CD2-CZ 4.06Å; L144-F262 HydrophobicContact CD1-CE2 3.75Å; S151-F262 WeakPolarHBondContact CB-O 3.45Å; S151-F262 PolarHBondContact OG-N 3.01Å; Y152-F262 VanDerWaalsContact O-CB 3.29Å; Y152-F262 WeakPolarHBondContact O-CB 3.29Å; L153-F262 HydrophobicContact CB-CD1 4.14Å; L153-F262 HydrophobicContact CB-CD2 3.81Å; L153-F262 HydrophobicContact CB-CE1 4.25Å; L153-F262 HydrophobicContact CB-CE2 3.91Å; L153-F262 HydrophobicContact CB-CG 3.92Å; L153-F262 HydrophobicContact CB-CZ 4.13Å; L153-F262 HydrophobicContact CD1-CD1 3.7Å; L153-F262 HydrophobicContact CD1-CE1 3.95Å; L153-F262 HydrophobicContact CD1-CG 4.19Å; L153-F262 HydrophobicContact CD2-CD1 4.5Å; L153-F262 HydrophobicContact CD2-CE1 3.97Å; L153-F262 HydrophobicContact CD2-CZ 3.99Å; L153-F262 HydrophobicContact CG-CD1 4.32Å; L153-F262 HydrophobicContact CG-CE1 4.27Å; L153-F262 HydrophobicContact CG-CZ 4.47Å; R229-F262 PolarHBondContact NH2-O 3.19Å; G230-F262 WeakPolarHBondContact O-CA 3.33Å; Q231-F262 HydrophobicContact CB-CD1 4.34Å; Q231-F262 HydrophobicContact CB-CE1 4.25Å; P260-F262 HydrophobicContact CB-CE2 3.97Å; P260-F262 HydrophobicContact CB-CZ 3.86Å; P260-F262 HydrophobicContact CG-CE2 3.9Å; P260-F262 HydrophobicContact CG-CZ 3.94Å; P260-F262 WeakPolarHBondContact O-CD2 3.42Å; P260-F262 VanDerWaalsContact O-CE2 3.28Å; P260-F262 WeakPolarHBondContact O-CE2 3.42Å
263	S	94.7	Very high	91.3	Very high	48 Å²	48	61.4 Å²	61.4	34%	0.336	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	146.8	173.7	65	0	0	0	0	111.9	R229 G230	R229-S263 VanDerWaalsContact CA-O 3.27Å; R229-S263 WeakPolarHBondContact CA-O 3.49Å; G230-S263 PolarHBondContact N-O 2.82Å; G230-S263 PolarHBondContact O-N 3.1Å
264	G	92.5	Very high	91.4	Very high	12 Å²	12	59.5 Å²	59.5	12%	0.124	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	137.8	174.7	0	0	0	0	0	111.9	R226	R226-G264 WeakPolarHBondContact O-CA 3.25Å
265	N	89.4	Confident	91.9	Very high	25 Å²	25	50.9 Å²	50.9	13%	0.134	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-62.5	141.6	176.6	-70.5	-27.3	0	0	0	110.6	Y33 R226 V228	Y33-N265 PolarHBondContact OH-ND2 2.64Å; R226-N265 WeakPolarHBondContact CG-O 3.45Å; V228-N265 PolarHBondContact O-N 3.44Å
266	P	90.6	Very high	92.5	Very high	75 Å²	75	47.3 Å²	47.3	49%	0.487	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-65.9	150.7	177.1	28	-34.4	0	0	0	111.2	M268	P266-M268 PolarHBondContact O-N 3.25Å
267	P	90.7	Very high	92.7	Very high	34 Å²	34	48.4 Å²	48.4	22%	0.221	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-65.9	128.5	173.9	27.7	-33.5	0	0	0	110	W270	P267-W270 PolarHBondContact O-NE1 3.41Å; P267-W270 VanDerWaalsContact O-NE1 3.1Å
268	M	90.6	Very high	92.8	Very high	81 Å²	81	53.3 Å²	53.3	40%	0.399	28%	0.281	S	S	.	.			trans	-111.1	-18	-177.1	-67.1	-64.6	-77.6	0	0	113.5	P266 W270 K271 W272	P266-M268 PolarHBondContact O-N 3.25Å; M268-W270 VanDerWaalsContact C-N 3.31Å; M268-W270 PolarHBondContact O-N 2.99Å; M268-K271 HydrophobicContact CE-CD 3.71Å; M268-K271 WeakPolarHBondContact O-CB 2.82Å; M268-K271 PolarHBondContact O-N 3.49Å; M268-K271 HydrophobicContact SD-CD 3.91Å; M268-K271 PolarHBondContact SD-NZ 2.9Å; M268-W272 VanDerWaalsContact O-CD1 3.3Å
269	T	93.4	Very high	92.8	Very high	17 Å²	17	55.1 Å²	55.1	10%	0.104	29%	0.288	C	S	.	.	H	α-helix	trans	-51.7	-44.9	-175.2	-58.8	0	0	0	0	113.4	N61 L219 K271 W272 V273	N61-T269 WeakPolarHBondContact OD1-CG2 3.38Å; N61-T269 PolarHBondContact OD1-OG1 3.27Å; L219-T269 HydrophobicContact CD1-CG2 4.4Å; L219-T269 HydrophobicContact CD2-CG2 4.26Å; L219-T269 HydrophobicContact CG-CG2 3.73Å; T269-K271 PolarHBondContact O-N 3.41Å; T269-K271 VanDerWaalsContact O-N 3.13Å; T269-W272 WeakPolarHBondContact O-CB 3.41Å; T269-W272 PolarHBondContact O-N 3.31Å; T269-V273 HydrophobicContact CG2-CG1 4.5Å; T269-V273 HydrophobicContact CG2-CG2 4.33Å; T269-V273 PolarHBondContact O-N 2.9Å
270	W	91.9	Very high	92.9	Very high	125 Å²	125	53.3 Å²	53.3	47%	0.473	28%	0.277	S	S	.	.	H	α-helix	trans	-56.2	-33.4	-178.4	68.6	-92.3	0	0	0	112.7	V220 P267 M268 W272 V273 V274	V220-W270 HydrophobicContact CG1-CB 4.35Å; P267-W270 PolarHBondContact O-NE1 3.41Å; P267-W270 VanDerWaalsContact O-NE1 3.1Å; M268-W270 VanDerWaalsContact C-N 3.31Å; M268-W270 PolarHBondContact O-N 2.99Å; W270-W272 PolarHBondContact O-N 3.41Å; W270-V273 PolarHBondContact O-N 2.98Å; W270-V274 HydrophobicContact CB-CG2 4.17Å; W270-V274 VanDerWaalsContact O-CB 3.27Å; W270-V274 WeakPolarHBondContact O-CB 3.24Å; W270-V274 WeakPolarHBondContact O-CG2 3.41Å; W270-V274 PolarHBondContact O-N 3.39Å
271	K	93.3	Very high	92.8	Very high	118 Å²	118	57.9 Å²	57.9	51%	0.513	30%	0.301	S	S	.	.	H	α-helix	trans	-63.8	-28.3	178.3	-61.3	-176.9	176.9	178.6	0	112.6	M268 T269	M268-K271 HydrophobicContact CE-CD 3.71Å; M268-K271 WeakPolarHBondContact O-CB 2.82Å; M268-K271 PolarHBondContact O-N 3.49Å; M268-K271 HydrophobicContact SD-CD 3.91Å; M268-K271 PolarHBondContact SD-NZ 2.9Å; T269-K271 PolarHBondContact O-N 3.41Å; T269-K271 VanDerWaalsContact O-N 3.13Å
272	W	94.4	Very high	92.7	Very high	69 Å²	69	56.7 Å²	56.7	26%	0.261	30%	0.3	S	S	.	.	H	α-helix	trans	-84.8	-43.8	179.6	-62.9	85.7	0	0	0	111.7	N61 F62 M65 M268 T269 W270 P276	N61-W272 HydrophobicContact CB-CB 4.17Å; N61-W272 HydrophobicContact CB-CD2 4Å; N61-W272 HydrophobicContact CB-CG 3.73Å; F62-W272 HydrophobicContact CB-CE3 4.47Å; F62-W272 HydrophobicContact CB-CZ3 4.13Å; F62-W272 HydrophobicContact CD2-CZ3 4.13Å; M65-W272 HydrophobicContact CB-CB 4.36Å; M65-W272 VanDerWaalsContact CG-O 3.28Å; M65-W272 WeakPolarHBondContact CG-O 2.98Å; M65-W272 HydrophobicContact SD-CE3 3.92Å; M268-W272 VanDerWaalsContact O-CD1 3.3Å; T269-W272 WeakPolarHBondContact O-CB 3.41Å; T269-W272 PolarHBondContact O-N 3.31Å; W270-W272 PolarHBondContact O-N 3.41Å; W272-P276 WeakPolarHBondContact O-CD 3.42Å
273	V	93.6	Very high	92.5	Very high	1 Å²	1	57 Å²	57	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-96.2	-23.3	-166	-58.5	0	0	0	0	114.5	C64 F216 L219 V220 T269 W270 G275 P276 M277	C64-V273 HydrophobicContact CB-CG1 4.19Å; F216-V273 HydrophobicContact CD1-CB 4.3Å; F216-V273 HydrophobicContact CD1-CG1 4.42Å; F216-V273 HydrophobicContact CE1-CB 4.23Å; F216-V273 HydrophobicContact CE1-CG1 4.11Å; L219-V273 HydrophobicContact CD2-CG1 4.33Å; V220-V273 HydrophobicContact CG2-CG2 3.66Å; T269-V273 HydrophobicContact CG2-CG1 4.5Å; T269-V273 HydrophobicContact CG2-CG2 4.33Å; T269-V273 PolarHBondContact O-N 2.9Å; W270-V273 PolarHBondContact O-N 2.98Å; V273-G275 PolarHBondContact O-N 3.07Å; V273-P276 WeakPolarHBondContact O-CD 3.36Å; V273-M277 HydrophobicContact CB-SD 4.12Å; V273-M277 HydrophobicContact CG2-SD 3.97Å; V273-M277 VanDerWaalsContact O-CB 3.29Å; V273-M277 WeakPolarHBondContact O-CB 3.49Å; V273-M277 WeakPolarHBondContact O-CG 3.37Å; V273-M277 PolarHBondContact O-N 3.45Å
274	V	91.8	Very high	92.3	Very high	78 Å²	78	59.7 Å²	59.7	47%	0.473	31%	0.305	S	S	.	.	H	α-helix	trans	-61.9	-42.4	-175.4	166.1	0	0	0	0	112.3	W270 M277 F278	W270-V274 HydrophobicContact CB-CG2 4.17Å; W270-V274 VanDerWaalsContact O-CB 3.27Å; W270-V274 WeakPolarHBondContact O-CB 3.24Å; W270-V274 WeakPolarHBondContact O-CG2 3.41Å; W270-V274 PolarHBondContact O-N 3.39Å; V274-M277 PolarHBondContact O-N 2.94Å; V274-F278 WeakPolarHBondContact O-CB 2.73Å; V274-F278 PolarHBondContact O-N 3.47Å
275	G	92.4	Very high	92.3	Very high	40 Å²	40	64 Å²	64	41%	0.412	32%	0.324	S	S	.	.	H	α-helix	trans	-59.6	-58.7	178.2	0	0	0	0	0	112.7	V273 M277 F278 L279	V273-G275 PolarHBondContact O-N 3.07Å; G275-M277 VanDerWaalsContact C-N 3.33Å; G275-M277 PolarHBondContact O-N 3.32Å; G275-F278 PolarHBondContact O-N 2.82Å; G275-L279 WeakPolarHBondContact O-CG 3.24Å; G275-L279 PolarHBondContact O-N 3.28Å
276	P	92.6	Very high	92.3	Very high	13 Å²	13	66 Å²	66	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-58.7	-38.5	175.9	-24.9	32.1	0	0	0	114.1	M65 L69 W272 V273 F278 L279 Y280	M65-P276 HydrophobicContact CB-CG 4.29Å; M65-P276 HydrophobicContact CG-CG 3.57Å; M65-P276 WeakPolarHBondContact O-CB 3.24Å; M65-P276 WeakPolarHBondContact O-CG 3.28Å; L69-P276 HydrophobicContact CD2-CB 4.3Å; W272-P276 WeakPolarHBondContact O-CD 3.42Å; V273-P276 WeakPolarHBondContact O-CD 3.36Å; P276-F278 VanDerWaalsContact C-N 3.34Å; P276-L279 PolarHBondContact O-N 3.04Å; P276-Y280 WeakPolarHBondContact O-CB 3.37Å; P276-Y280 PolarHBondContact O-N 3.46Å
277	M	93.1	Very high	92.2	Very high	64 Å²	64	63.3 Å²	63.3	32%	0.315	32%	0.317	S	S	.	.	H	α-helix	trans	-63.7	-40.5	176.2	-74.7	176.3	68.8	0	0	111.8	L68 F216 V273 V274 G275 Y280 L281	L68-M277 HydrophobicContact CD1-CG 3.94Å; F216-M277 HydrophobicContact CB-CE 4.08Å; F216-M277 HydrophobicContact CB-SD 4.15Å; F216-M277 HydrophobicContact CD1-CG 4.11Å; F216-M277 HydrophobicContact CD1-SD 3.75Å; F216-M277 HydrophobicContact CE1-CG 4.43Å; F216-M277 HydrophobicContact CG-SD 4.22Å; V273-M277 HydrophobicContact CB-SD 4.12Å; V273-M277 HydrophobicContact CG2-SD 3.97Å; V273-M277 VanDerWaalsContact O-CB 3.29Å; V273-M277 WeakPolarHBondContact O-CB 3.49Å; V273-M277 WeakPolarHBondContact O-CG 3.37Å; V273-M277 PolarHBondContact O-N 3.45Å; V274-M277 PolarHBondContact O-N 2.94Å; G275-M277 VanDerWaalsContact C-N 3.33Å; G275-M277 PolarHBondContact O-N 3.32Å; M277-Y280 PolarHBondContact O-N 2.94Å; M277-L281 WeakPolarHBondContact O-CB 3.33Å; M277-L281 PolarHBondContact O-N 2.64Å
278	F	93.4	Very high	92	Very high	130 Å²	130	68 Å²	68	57%	0.57	34%	0.335	S	S	*	.	H	α-helix	trans	-65.3	-43	175.5	178.5	-100.4	0	0	0	111.8	V274 G275 P276 Y280 L281 C282	V274-F278 WeakPolarHBondContact O-CB 2.73Å; V274-F278 PolarHBondContact O-N 3.47Å; G275-F278 PolarHBondContact O-N 2.82Å; P276-F278 VanDerWaalsContact C-N 3.34Å; F278-Y280 VanDerWaalsContact C-N 3.34Å; F278-Y280 PolarHBondContact O-N 3.06Å; F278-L281 WeakPolarHBondContact O-CB 3.31Å; F278-L281 PolarHBondContact O-N 3.06Å; F278-C282 PolarHBondContact O-N 3.27Å; F278-C282 PolarHBondContact O-SG 3.48Å
279	L	93	Very high	91.9	Very high	84 Å²	84	73.3 Å²	73.3	44%	0.44	35%	0.35	S	S	.	.	H	α-helix	trans	-60.3	-44.3	174.8	-70.4	174.7	0	0	0	111.8	L69 G275 P276 C282 E283	L69-L279 HydrophobicContact CD2-CD1 4.19Å; G275-L279 WeakPolarHBondContact O-CG 3.24Å; G275-L279 PolarHBondContact O-N 3.28Å; P276-L279 PolarHBondContact O-N 3.04Å; L279-C282 WeakPolarHBondContact O-CB 3.48Å; L279-C282 PolarHBondContact O-N 3.29Å; L279-E283 PolarHBondContact O-N 2.84Å
280	Y	93.3	Very high	91.5	Very high	29 Å²	29	74.8 Å²	74.8	11%	0.114	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-38.4	175.9	179.1	-104.6	0	0	0	112.3	V71 F212 P276 M277 F278 E283 R284	V71-Y280 HydrophobicContact CG2-CE2 4.34Å; F212-Y280 AromaticContact CE2-CE1 3.78Å; F212-Y280 HydrophobicContact CE2-CE1 3.78Å; F212-Y280 AromaticContact CZ-CE1 3.72Å; F212-Y280 HydrophobicContact CZ-CE1 3.72Å; F212-Y280 AromaticContact CZ-CZ 3.92Å; F212-Y280 WeakPolarHBondContact CZ-OH 3.36Å; P276-Y280 WeakPolarHBondContact O-CB 3.37Å; P276-Y280 PolarHBondContact O-N 3.46Å; M277-Y280 PolarHBondContact O-N 2.94Å; F278-Y280 VanDerWaalsContact C-N 3.34Å; F278-Y280 PolarHBondContact O-N 3.06Å; Y280-E283 VanDerWaalsContact CD2-OE2 3.23Å; Y280-E283 WeakPolarHBondContact CD2-OE2 3.36Å; Y280-E283 WeakPolarHBondContact O-CB 3.14Å; Y280-E283 PolarHBondContact O-N 2.83Å; Y280-R284 HydrophobicContact CD1-CG 4.36Å; Y280-R284 HydrophobicContact CE1-CG 4.03Å; Y280-R284 HydrophobicContact CE2-CG 4.41Å; Y280-R284 VanDerWaalsContact CZ-NE 3.26Å; Y280-R284 WeakPolarHBondContact O-CG 3.4Å; Y280-R284 PolarHBondContact O-N 3.02Å; Y280-R284 VanDerWaalsContact OH-CZ 3.27Å; Y280-R284 PolarHBondContact OH-NE 2.81Å; Y280-R284 PolarHBondContact OH-NH2 3.32Å
281	L	92.8	Very high	91.1	Very high	96 Å²	96	69.4 Å²	69.4	50%	0.503	34%	0.335	S	S	.	.	H	α-helix	trans	-61.6	-45.9	173.4	179.9	63.2	0	0	0	111.1	M277 F278 E283 R284 L285	M277-L281 WeakPolarHBondContact O-CB 3.33Å; M277-L281 PolarHBondContact O-N 2.64Å; F278-L281 WeakPolarHBondContact O-CB 3.31Å; F278-L281 PolarHBondContact O-N 3.06Å; L281-E283 VanDerWaalsContact C-N 3.32Å; L281-E283 PolarHBondContact O-N 2.95Å; L281-R284 PolarHBondContact O-N 3.48Å; L281-R284 VanDerWaalsContact O-N 3.15Å; L281-L285 HydrophobicContact CG-CD1 4.33Å; L281-L285 WeakPolarHBondContact O-CG 3.12Å; L281-L285 PolarHBondContact O-N 2.9Å
282	C	93.1	Very high	90.7	Very high	47 Å²	47	69.6 Å²	69.6	32%	0.318	34%	0.338	S	S	.	.	H	α-helix	trans	-59.1	-43.7	175.1	-65.7	0	0	0	0	111.5	F278 L279 R284 L285 V286	F278-C282 PolarHBondContact O-N 3.27Å; F278-C282 PolarHBondContact O-SG 3.48Å; L279-C282 WeakPolarHBondContact O-CB 3.48Å; L279-C282 PolarHBondContact O-N 3.29Å; C282-R284 VanDerWaalsContact C-N 3.31Å; C282-R284 PolarHBondContact O-N 3.46Å; C282-L285 PolarHBondContact O-N 3.16Å; C282-V286 WeakPolarHBondContact O-CG2 3.34Å; C282-V286 PolarHBondContact O-N 3.14Å
283	E	91.4	Very high	90.2	Very high	10 Å²	10	71 Å²	71	5%	0.047	35%	0.347	C	S	.	.	H	α-helix	trans	-57.4	-43.3	174.8	-173.2	-135.1	155.8	0	0	111.9	C72 R73 N74 L279 Y280 L281 V286 R287	C72-E283 VanDerWaalsContact CA-CD 3.45Å; C72-E283 VanDerWaalsContact CA-OE2 3.28Å; C72-E283 WeakPolarHBondContact CA-OE2 3.18Å; C72-E283 HydrophobicContact CB-CG 4.33Å; C72-E283 PolarHBondContact SG-OE2 3.23Å; C72-E283 VanDerWaalsContact SG-OE2 3.36Å; R73-E283 PolarHBondContact N-OE1 3.37Å; N74-E283 HydrophobicContact CB-CG 4.27Å; L279-E283 PolarHBondContact O-N 2.84Å; Y280-E283 VanDerWaalsContact CD2-OE2 3.23Å; Y280-E283 WeakPolarHBondContact CD2-OE2 3.36Å; Y280-E283 WeakPolarHBondContact O-CB 3.14Å; Y280-E283 PolarHBondContact O-N 2.83Å; L281-E283 VanDerWaalsContact C-N 3.32Å; L281-E283 PolarHBondContact O-N 2.95Å; E283-V286 PolarHBondContact O-N 3.39Å; E283-R287 WeakPolarHBondContact O-CG 3.42Å; E283-R287 PolarHBondContact O-N 2.98Å; E283-R287 VanDerWaalsContact O-N 3.15Å; E283-R287 IonicContact OE1-CZ 3.63Å; E283-R287 IonicContact OE1-NE 2.67Å; E283-R287 PolarHBondContact OE1-NE 3.04Å; E283-R287 IonicContact OE1-NH2 2.63Å; E283-R287 PolarHBondContact OE1-NH2 3.38Å
284	R	90.8	Very high	89.8	Confident	106 Å²	106	80.8 Å²	80.8	40%	0.4	39%	0.39	S	S	.	.	H	α-helix	trans	-67.7	-38.6	177	-68.8	-64.9	-179.8	174.5	0.5	112.9	Y280 L281 C282 R287 F288	Y280-R284 HydrophobicContact CD1-CG 4.36Å; Y280-R284 HydrophobicContact CE1-CG 4.03Å; Y280-R284 HydrophobicContact CE2-CG 4.41Å; Y280-R284 VanDerWaalsContact CZ-NE 3.26Å; Y280-R284 WeakPolarHBondContact O-CG 3.4Å; Y280-R284 PolarHBondContact O-N 3.02Å; Y280-R284 VanDerWaalsContact OH-CZ 3.27Å; Y280-R284 PolarHBondContact OH-NE 2.81Å; Y280-R284 PolarHBondContact OH-NH2 3.32Å; L281-R284 PolarHBondContact O-N 3.48Å; L281-R284 VanDerWaalsContact O-N 3.15Å; C282-R284 VanDerWaalsContact C-N 3.31Å; C282-R284 PolarHBondContact O-N 3.46Å; R284-R287 PolarHBondContact O-N 3.1Å; R284-F288 WeakPolarHBondContact O-CB 3.46Å; R284-F288 PolarHBondContact O-N 2.94Å
285	L	91.6	Very high	89.6	Confident	103 Å²	103	78.2 Å²	78.2	54%	0.539	37%	0.374	S	S	.	.	H	α-helix	trans	-63.9	-41.8	175.1	-70	172.4	0	0	0	111.8	L281 C282 R287 F288 W289	L281-L285 HydrophobicContact CG-CD1 4.33Å; L281-L285 WeakPolarHBondContact O-CG 3.12Å; L281-L285 PolarHBondContact O-N 2.9Å; C282-L285 PolarHBondContact O-N 3.16Å; L285-R287 PolarHBondContact O-N 3.4Å; L285-F288 PolarHBondContact O-N 3.35Å; L285-W289 PolarHBondContact O-N 3.38Å
286	V	89.7	Confident	89.5	Confident	65 Å²	65	79.9 Å²	79.9	39%	0.394	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-45.5	175.3	170.6	0	0	0	0	111.2	C282 E283 F288 W289 R290	C282-V286 WeakPolarHBondContact O-CG2 3.34Å; C282-V286 PolarHBondContact O-N 3.14Å; E283-V286 PolarHBondContact O-N 3.39Å; V286-F288 VanDerWaalsContact C-N 3.35Å; V286-F288 PolarHBondContact O-N 3.02Å; V286-W289 PolarHBondContact O-N 3.11Å; V286-R290 WeakPolarHBondContact O-CB 3.43Å; V286-R290 PolarHBondContact O-N 3.31Å
287	R	88.5	Confident	89.4	Confident	20 Å²	20	79.5 Å²	79.5	8%	0.075	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-42.5	176	-67.7	175.2	-177.4	-103.5	12.2	112	N74 E283 R284 L285 R290 S291 D388	N74-R287 WeakPolarHBondContact ND2-CG 3.24Å; E283-R287 WeakPolarHBondContact O-CG 3.42Å; E283-R287 PolarHBondContact O-N 2.98Å; E283-R287 VanDerWaalsContact O-N 3.15Å; E283-R287 IonicContact OE1-CZ 3.63Å; E283-R287 IonicContact OE1-NE 2.67Å; E283-R287 PolarHBondContact OE1-NE 3.04Å; E283-R287 IonicContact OE1-NH2 2.63Å; E283-R287 PolarHBondContact OE1-NH2 3.38Å; R284-R287 PolarHBondContact O-N 3.1Å; L285-R287 PolarHBondContact O-N 3.4Å; R287-R290 PolarHBondContact O-N 3.08Å; R287-S291 WeakPolarHBondContact O-CB 3.35Å; R287-S291 PolarHBondContact O-N 2.92Å; R287-D388 WeakPolarHBondContact CG-OD2 3.41Å; R287-D388 IonicContact CZ-OD2 3.61Å; R287-D388 IonicContact NH1-OD2 2.71Å; R287-D388 PolarHBondContact NH1-OD2 3.23Å
288	F	87.9	Confident	89.2	Confident	133 Å²	133	79.4 Å²	79.4	58%	0.583	38%	0.376	S	S	*	.	H	α-helix	trans	-61.1	-47.2	177.5	179.3	-99	0	0	0	111.1	R284 L285 V286 R290 S291	R284-F288 WeakPolarHBondContact O-CB 3.46Å; R284-F288 PolarHBondContact O-N 2.94Å; L285-F288 PolarHBondContact O-N 3.35Å; V286-F288 VanDerWaalsContact C-N 3.35Å; V286-F288 PolarHBondContact O-N 3.02Å; F288-R290 PolarHBondContact O-N 3.29Å; F288-S291 WeakPolarHBondContact O-CB 3.12Å; F288-S291 PolarHBondContact O-N 2.9Å; F288-S291 PolarHBondContact O-OG 3.38Å
289	W	87.8	Confident	89	Confident	192 Å²	192	78.8 Å²	78.8	73%	0.727	37%	0.374	S	S	*	.	H	α-helix	trans	-60.8	-44.8	177.1	-176.2	69.4	0	0	0	112.1	L285 V286 S291 Q292	L285-W289 PolarHBondContact O-N 3.38Å; V286-W289 PolarHBondContact O-N 3.11Å; W289-S291 VanDerWaalsContact C-N 3.31Å; W289-S291 PolarHBondContact O-N 3.32Å; W289-Q292 PolarHBondContact O-N 3.11Å
290	R	85.1	Confident	88.8	Confident	48 Å²	48	76.6 Å²	76.6	18%	0.181	36%	0.363	C	S	.	.	H	α-helix	trans	-61.2	-38.6	175.7	-166.3	-175.2	-67.1	157.2	-6.8	112.4	N74 V286 R287 F288 Q292 Q293 D388 G389	N74-R290 PolarHBondContact OD1-NH1 3.25Å; N74-R290 PolarHBondContact OD1-NH2 3.43Å; N74-R290 VanDerWaalsContact OD1-NH2 3.09Å; V286-R290 WeakPolarHBondContact O-CB 3.43Å; V286-R290 PolarHBondContact O-N 3.31Å; R287-R290 PolarHBondContact O-N 3.08Å; F288-R290 PolarHBondContact O-N 3.29Å; R290-Q292 PolarHBondContact O-N 2.87Å; R290-Q292 VanDerWaalsContact O-N 3.08Å; R290-Q293 VanDerWaalsContact CG-OE1 3.27Å; R290-Q293 VanDerWaalsContact O-CB 3.26Å; R290-Q293 WeakPolarHBondContact O-CB 3.28Å; R290-Q293 VanDerWaalsContact O-CG 3.25Å; R290-Q293 WeakPolarHBondContact O-CG 3.37Å; R290-Q293 PolarHBondContact O-N 3.45Å; R290-D388 WeakPolarHBondContact CD-OD1 3.43Å; R290-D388 IonicContact CZ-OD1 3.74Å; R290-D388 IonicContact NE-OD1 3.84Å; R290-D388 IonicContact NH1-OD1 2.99Å; R290-D388 PolarHBondContact NH1-OD1 3.29Å; R290-G389 VanDerWaalsContact CD-O 3.27Å; R290-G389 WeakPolarHBondContact CD-O 3.18Å; R290-G389 PolarHBondContact NE-O 3.44Å
291	S	83.4	Confident	88.5	Confident	11 Å²	11	76.9 Å²	76.9	8%	0.077	37%	0.368	C	S	.	.	H	α-helix	trans	-63.2	-16.5	178.7	77.5	0	0	0	0	114.6	R287 F288 W289 Q293	R287-S291 WeakPolarHBondContact O-CB 3.35Å; R287-S291 PolarHBondContact O-N 2.92Å; F288-S291 WeakPolarHBondContact O-CB 3.12Å; F288-S291 PolarHBondContact O-N 2.9Å; F288-S291 PolarHBondContact O-OG 3.38Å; W289-S291 VanDerWaalsContact C-N 3.31Å; W289-S291 PolarHBondContact O-N 3.32Å; S291-Q293 VanDerWaalsContact C-N 3.34Å
292	Q	84.7	Confident	88.1	Confident	123 Å²	123	77 Å²	77	58%	0.575	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.6	175.8	-58.1	-57.8	-48	0	0	113.1	W289 R290 K294	W289-Q292 PolarHBondContact O-N 3.11Å; R290-Q292 PolarHBondContact O-N 2.87Å; R290-Q292 VanDerWaalsContact O-N 3.08Å; Q292-K294 PolarHBondContact O-N 2.99Å
293	Q	84.2	Confident	87.5	Confident	99 Å²	99	76.3 Å²	76.3	46%	0.463	36%	0.36	S	S	.	.	S	Bend	trans	-63.8	133.6	175.4	-68.1	-180	-43.3	0	0	110.3	R290 S291 V295	R290-Q293 VanDerWaalsContact CG-OE1 3.27Å; R290-Q293 VanDerWaalsContact O-CB 3.26Å; R290-Q293 WeakPolarHBondContact O-CB 3.28Å; R290-Q293 VanDerWaalsContact O-CG 3.25Å; R290-Q293 WeakPolarHBondContact O-CG 3.37Å; R290-Q293 PolarHBondContact O-N 3.45Å; S291-Q293 VanDerWaalsContact C-N 3.34Å; Q293-V295 PolarHBondContact O-N 3.11Å
294	K	84.7	Confident	86.7	Confident	206 Å²	206	78.6 Å²	78.6	90%	0.896	38%	0.376	S	S	*	.			trans	-75.8	113.8	177.3	-67.1	-176.3	-179	178.7	0	109.3	Q292	Q292-K294 PolarHBondContact O-N 2.99Å
295	V	88.9	Confident	85.8	Confident	24 Å²	24	76.4 Å²	76.4	15%	0.145	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-107.1	129.5	172	-177.4	0	0	0	0	108.7	Q293 M312 F351 V387	Q293-V295 PolarHBondContact O-N 3.11Å; V295-M312 HydrophobicContact CG1-CB 3.87Å; V295-M312 HydrophobicContact CG1-CG 3.86Å; V295-M312 HydrophobicContact CG1-SD 3.75Å; V295-F351 HydrophobicContact CG1-CZ 3.88Å; V295-V387 HydrophobicContact CB-CG2 4.3Å; V295-V387 HydrophobicContact CG1-CG2 4.1Å; V295-V387 HydrophobicContact CG2-CB 4Å; V295-V387 HydrophobicContact CG2-CG2 3.81Å
296	V	89.3	Confident	85.3	Confident	75 Å²	75	78.8 Å²	78.8	46%	0.455	38%	0.376	S	S	.	.			trans	-111.8	125.7	179.8	-178.5	0	0	0	0	108.2	M312 M313	V296-M312 WeakPolarHBondContact O-CA 3.42Å; V296-M313 PolarHBondContact O-N 3.43Å
297	I	91	Very high	85	Confident	4 Å²	4	75.9 Å²	75.9	2%	0.021	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	122.8	171.3	-54.9	168.1	0	0	0	107.2	V300 Q311 M312 L382 P383 I385	I297-V300 HydrophobicContact CG2-CG2 3.82Å; I297-Q311 CarbonylContact C-O 3.38Å; I297-Q311 WeakPolarHBondContact CA-O 3.36Å; I297-Q311 WeakPolarHBondContact CG2-O 3.32Å; I297-M312 HydrophobicContact CG1-CG 4.38Å; I297-L382 HydrophobicContact CB-CB 4.47Å; I297-L382 HydrophobicContact CB-CD1 3.85Å; I297-L382 HydrophobicContact CD1-CB 4.22Å; I297-L382 HydrophobicContact CG2-CD1 3.67Å; I297-P383 HydrophobicContact CD1-CG 4.34Å; I297-P383 WeakPolarHBondContact CD1-O 3.45Å; I297-I385 HydrophobicContact CD1-CD1 3.52Å; I297-I385 HydrophobicContact CD1-CG1 3.98Å; I297-I385 HydrophobicContact CG1-CD1 3.98Å; I297-I385 HydrophobicContact CG1-CG1 4.46Å
298	T	88.8	Confident	85	Confident	62 Å²	62	74.9 Å²	74.9	38%	0.38	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-38.6	178.9	51.9	0	0	0	0	111.5	Q311 M313	T298-Q311 PolarHBondContact N-O 3.5Å; T298-Q311 PolarHBondContact OG1-O 3.24Å; T298-Q311 VanDerWaalsContact OG1-O 3.12Å; T298-M313 HydrophobicContact CG2-CB 4.1Å; T298-M313 HydrophobicContact CG2-CE 4.46Å
299	K	88.6	Confident	85.2	Confident	118 Å²	118	69.3 Å²	69.3	51%	0.513	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	143	-176.6	-168.5	178.9	-177	-173.2	0	110.8	V301 Q311	K299-V301 HydrophobicContact CD-CG2 3.97Å; K299-V301 HydrophobicContact CG-CG2 4.07Å; K299-Q311 HydrophobicContact CB-CB 4.12Å; K299-Q311 HydrophobicContact CB-CG 4.39Å; K299-Q311 PolarHBondContact N-O 3.17Å; K299-Q311 PolarHBondContact O-N 2.93Å
300	V	89.3	Confident	85.4	Confident	37 Å²	37	60.1 Å²	60.1	22%	0.224	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125	169	-178.1	0	0	0	0	107.5	I297 E309 L310 C369 L382	I297-V300 HydrophobicContact CG2-CG2 3.82Å; V300-E309 WeakPolarHBondContact CA-O 3.45Å; V300-L310 HydrophobicContact CB-CD2 4.28Å; V300-L310 HydrophobicContact CG1-CD2 3.88Å; V300-L310 HydrophobicContact CG2-CD2 3.69Å; V300-C369 HydrophobicContact CG1-CB 4.4Å; V300-C369 HydrophobicContact CG2-CB 4.44Å; V300-L382 HydrophobicContact CG2-CD1 4.15Å; V300-L382 HydrophobicContact CG2-CD2 4Å
301	V	86.4	Confident	85.8	Confident	35 Å²	35	58.9 Å²	58.9	21%	0.212	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.7	176.6	-173.3	0	0	0	0	108.2	K299 I308 E309	K299-V301 HydrophobicContact CD-CG2 3.97Å; K299-V301 HydrophobicContact CG-CG2 4.07Å; V301-I308 CarbonylContact O-C 3.56Å; V301-I308 WeakPolarHBondContact O-CA 3.45Å; V301-E309 HydrophobicContact CB-CB 4.13Å; V301-E309 PolarHBondContact N-O 3.3Å; V301-E309 PolarHBondContact O-N 2.92Å
302	I	85.3	Confident	86.2	Confident	99 Å²	99	58.4 Å²	58.4	51%	0.508	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123	174.7	-58	171.4	0	0	0	107.1	I308 C371	I302-I308 HydrophobicContact CG1-CG2 4.37Å; I302-C371 HydrophobicContact CD1-CB 3.71Å; I302-C371 HydrophobicContact CG1-CB 4.12Å
303	H	80.5	Confident	86.5	Confident	33 Å²	33	57.2 Å²	57.2	15%	0.153	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	153.8	174	-69.2	-72.7	0	0	0	109.8	T307 E309 H354 W453	H303-T307 WeakPolarHBondContact CA-O 3Å; H303-T307 WeakPolarHBondContact CB-O 3.24Å; H303-T307 PolarHBondContact N-O 3.21Å; H303-T307 VanDerWaalsContact O-O 3.06Å; H303-E309 IonicContact NE2-OE2 3.28Å; H303-E309 PolarHBondContact NE2-OE2 3.02Å; H303-H354 AromaticContact CD2-CD2 3.87Å; H303-H354 AromaticContact CD2-NE2 3.87Å; H303-H354 AromaticContact NE2-CD2 3.99Å; H303-H354 AromaticContact NE2-NE2 3.49Å; H303-H354 PolarHBondContact NE2-NE2 3.18Å; H303-W453 HydrophobicContact CB-CB 4.16Å; H303-W453 WeakPolarHBondContact ND1-CB 3.1Å
304	P	73.6	Confident	86.7	Confident	58 Å²	58	54.4 Å²	54.4	38%	0.377	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	163.2	167.7	-27	36.9	0	0	0	112.2	K306 E452	P304-K306 PolarHBondContact O-N 3.35Å; P304-E452 HydrophobicContact CB-CB 4.46Å; P304-E452 WeakPolarHBondContact CB-OE2 3.3Å; P304-E452 HydrophobicContact CG-CB 4.32Å; P304-E452 WeakPolarHBondContact CG-OE2 3.44Å
305	F	72.9	Confident	86.7	Confident	60 Å²	60	53.7 Å²	53.7	26%	0.263	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	41.2	178.4	-161.4	-117.2	0	0	0	114.9	T307 D447 H449 A450	F305-T307 VanDerWaalsContact C-N 3.29Å; F305-T307 PolarHBondContact O-N 3.47Å; F305-T307 PolarHBondContact O-OG1 3.1Å; F305-D447 HydrophobicContact CE2-CB 4.08Å; F305-D447 WeakPolarHBondContact CE2-OD2 3.43Å; F305-D447 HydrophobicContact CZ-CB 3.97Å; F305-H449 HydrophobicContact CB-CB 4.1Å; F305-H449 HydrophobicContact CD2-CB 3.95Å; F305-H449 HydrophobicContact CG-CB 4.3Å; F305-A450 HydrophobicContact CD1-CB 4.12Å; F305-A450 HydrophobicContact CE1-CB 4.09Å
306	K	80.8	Confident	86.3	Confident	153 Å²	153	56.6 Å²	56.6	67%	0.665	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	44.9	173.6	-67.3	-173.1	175.2	-172.6	0	112.3	P304 I357	P304-K306 PolarHBondContact O-N 3.35Å; K306-I357 HydrophobicContact CB-CB 4.14Å; K306-I357 HydrophobicContact CB-CD1 4.06Å; K306-I357 HydrophobicContact CB-CG1 4.47Å; K306-I357 VanDerWaalsContact O-CG1 3.29Å; K306-I357 WeakPolarHBondContact O-CG1 3.48Å; K306-I357 PolarHBondContact O-N 2.92Å
307	T	84.3	Confident	86.2	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	-121.9	138.8	178.6	-58.9	0	0	0	0	109.4	H303 F305 H354 V355	H303-T307 WeakPolarHBondContact CA-O 3Å; H303-T307 WeakPolarHBondContact CB-O 3.24Å; H303-T307 PolarHBondContact N-O 3.21Å; H303-T307 VanDerWaalsContact O-O 3.06Å; F305-T307 VanDerWaalsContact C-N 3.29Å; F305-T307 PolarHBondContact O-N 3.47Å; F305-T307 PolarHBondContact O-OG1 3.1Å; T307-H354 HydrophobicContact CG2-CB 4.25Å; T307-V355 CarbonylContact C-O 3.54Å; T307-V355 WeakPolarHBondContact CA-O 3.5Å
308	I	88.6	Confident	86	Confident	0 Å²	0	63 Å²	63	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	141.2	173.1	60.5	176.6	0	0	0	110.1	V301 I302 L310 H354 V355 F366	V301-I308 CarbonylContact O-C 3.56Å; V301-I308 WeakPolarHBondContact O-CA 3.45Å; I302-I308 HydrophobicContact CG1-CG2 4.37Å; I308-L310 HydrophobicContact CD1-CD2 4.25Å; I308-L310 HydrophobicContact CD1-CG 4.47Å; I308-H354 CarbonylContact O-C 3.59Å; I308-H354 WeakPolarHBondContact O-CA 3.37Å; I308-V355 HydrophobicContact CG1-CB 3.93Å; I308-V355 PolarHBondContact N-O 3.19Å; I308-V355 PolarHBondContact O-N 2.87Å; I308-F366 HydrophobicContact CD1-CD2 4.46Å; I308-F366 HydrophobicContact CG2-CD2 3.5Å; I308-F366 HydrophobicContact CG2-CE2 3.72Å
309	E	90.2	Very high	86.1	Confident	15 Å²	15	60.4 Å²	60.4	7%	0.07	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	125.8	167.6	-179.4	-172.9	179.1	0	0	109.2	V300 V301 H303 Q311 S352 I353 H354	V300-E309 WeakPolarHBondContact CA-O 3.45Å; V301-E309 HydrophobicContact CB-CB 4.13Å; V301-E309 PolarHBondContact N-O 3.3Å; V301-E309 PolarHBondContact O-N 2.92Å; H303-E309 IonicContact NE2-OE2 3.28Å; H303-E309 PolarHBondContact NE2-OE2 3.02Å; E309-Q311 HydrophobicContact CG-CG 4.13Å; E309-Q311 WeakPolarHBondContact OE1-CG 3.28Å; E309-Q311 PolarHBondContact OE1-NE2 2.84Å; E309-S352 WeakPolarHBondContact OE1-CB 3.39Å; E309-S352 PolarHBondContact OE1-OG 3.48Å; E309-S352 VanDerWaalsContact OE1-OG 3.09Å; E309-I353 WeakPolarHBondContact CA-O 3.31Å; E309-H354 IonicContact OE1-CE1 3.94Å; E309-H354 IonicContact OE2-CE1 3.2Å; E309-H354 IonicContact OE2-NE2 2.79Å
310	L	92.8	Very high	86	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.1	172.8	-60.5	179.8	0	0	0	108.8	V300 I308 S352 I353 L365 I385	V300-L310 HydrophobicContact CB-CD2 4.28Å; V300-L310 HydrophobicContact CG1-CD2 3.88Å; V300-L310 HydrophobicContact CG2-CD2 3.69Å; I308-L310 HydrophobicContact CD1-CD2 4.25Å; I308-L310 HydrophobicContact CD1-CG 4.47Å; L310-S352 WeakPolarHBondContact O-CA 3.44Å; L310-S352 WeakPolarHBondContact O-CB 3.49Å; L310-I353 HydrophobicContact CB-CG1 3.96Å; L310-I353 HydrophobicContact CD1-CD1 4.3Å; L310-I353 PolarHBondContact N-O 2.78Å; L310-I353 PolarHBondContact O-N 3.15Å; L310-I353 VanDerWaalsContact O-N 3.13Å; L310-L365 HydrophobicContact CD1-CD2 3.89Å; L310-L365 HydrophobicContact CD1-CG 4.44Å; L310-I385 HydrophobicContact CD1-CD1 4.1Å
311	Q	93.2	Very high	86	Confident	22 Å²	22	58 Å²	58	10%	0.103	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	132	174.2	-56.9	-171.1	-17.5	0	0	109.8	I297 T298 K299 E309 Y350	I297-Q311 CarbonylContact C-O 3.38Å; I297-Q311 WeakPolarHBondContact CA-O 3.36Å; I297-Q311 WeakPolarHBondContact CG2-O 3.32Å; T298-Q311 PolarHBondContact N-O 3.5Å; T298-Q311 PolarHBondContact OG1-O 3.24Å; T298-Q311 VanDerWaalsContact OG1-O 3.12Å; K299-Q311 HydrophobicContact CB-CB 4.12Å; K299-Q311 HydrophobicContact CB-CG 4.39Å; K299-Q311 PolarHBondContact N-O 3.17Å; K299-Q311 PolarHBondContact O-N 2.93Å; E309-Q311 HydrophobicContact CG-CG 4.13Å; E309-Q311 WeakPolarHBondContact OE1-CG 3.28Å; E309-Q311 PolarHBondContact OE1-NE2 2.84Å; Q311-Y350 HydrophobicContact CB-CD2 3.94Å; Q311-Y350 HydrophobicContact CB-CE2 4.35Å; Q311-Y350 HydrophobicContact CG-CD2 3.97Å; Q311-Y350 HydrophobicContact CG-CE2 3.86Å; Q311-Y350 PolarHBondContact NE2-OH 3.47Å
312	M	93.3	Very high	86	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	148.5	-173.4	-68.2	165.6	-79.7	0	0	110.9	V295 V296 I297 K314 I325 Y350 F351 I353 V387	V295-M312 HydrophobicContact CG1-CB 3.87Å; V295-M312 HydrophobicContact CG1-CG 3.86Å; V295-M312 HydrophobicContact CG1-SD 3.75Å; V296-M312 WeakPolarHBondContact O-CA 3.42Å; I297-M312 HydrophobicContact CG1-CG 4.38Å; M312-K314 PolarHBondContact O-N 2.82Å; M312-I325 HydrophobicContact CE-CD1 4.34Å; M312-Y350 WeakPolarHBondContact O-CA 3.4Å; M312-Y350 WeakPolarHBondContact O-CB 3.3Å; M312-F351 HydrophobicContact CB-CD1 4.19Å; M312-F351 HydrophobicContact CB-CD2 4.13Å; M312-F351 HydrophobicContact CB-CE1 3.76Å; M312-F351 HydrophobicContact CB-CE2 3.68Å; M312-F351 HydrophobicContact CB-CG 4.38Å; M312-F351 HydrophobicContact CB-CZ 3.48Å; M312-F351 VanDerWaalsContact CB-CZ 3.48Å; M312-F351 HydrophobicContact CE-CD2 3.71Å; M312-F351 HydrophobicContact CE-CE2 3.4Å; M312-F351 VanDerWaalsContact CE-CE2 3.4Å; M312-F351 HydrophobicContact CE-CZ 4.33Å; M312-F351 HydrophobicContact CG-CE2 4.25Å; M312-F351 HydrophobicContact CG-CZ 4.31Å; M312-F351 PolarHBondContact N-O 3.39Å; M312-F351 PolarHBondContact O-N 3.3Å; M312-F351 HydrophobicContact SD-CD2 4.41Å; M312-F351 HydrophobicContact SD-CE2 3.57Å; M312-F351 VanDerWaalsContact SD-CE2 3.57Å; M312-F351 HydrophobicContact SD-CZ 3.96Å; M312-I353 HydrophobicContact CE-CD1 4.14Å; M312-I353 HydrophobicContact CE-CG1 4Å; M312-I353 HydrophobicContact CE-CG2 4.31Å; M312-V387 HydrophobicContact SD-CG2 4.29Å
313	M	90.9	Very high	86.2	Confident	99 Å²	99	52.6 Å²	52.6	49%	0.488	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124.8	-178.2	-175.1	176.7	-71.8	0	0	112.2	V296 T298 K315 F351	V296-M313 PolarHBondContact O-N 3.43Å; T298-M313 HydrophobicContact CG2-CB 4.1Å; T298-M313 HydrophobicContact CG2-CE 4.46Å; M313-K315 VanDerWaalsContact C-N 3.29Å; M313-K315 HydrophobicContact CG-CB 4.21Å; M313-K315 PolarHBondContact O-N 3.43Å; M313-K315 HydrophobicContact SD-CB 4.38Å; M313-F351 WeakPolarHBondContact O-CE1 3.43Å
314	K	87.9	Confident	86.6	Confident	40 Å²	40	52.1 Å²	52.1	17%	0.174	26%	0.262	C	S	.	.			trans	-86.2	28.8	-175.5	-161.2	-176.3	171.9	-172.9	0	114.7	M312 G316 F317 P346 E348 D349 F351	M312-K314 PolarHBondContact O-N 2.82Å; K314-G316 PolarHBondContact O-N 2.9Å; K314-F317 HydrophobicContact CG-CB 4.2Å; K314-F317 HydrophobicContact CG-CD1 4.33Å; K314-F317 WeakPolarHBondContact CG-O 3.45Å; K314-F317 PolarHBondContact O-N 2.94Å; K314-P346 PolarHBondContact NZ-O 2.76Å; K314-E348 WeakPolarHBondContact CD-O 3.31Å; K314-E348 PolarHBondContact NZ-O 3.44Å; K314-D349 WeakPolarHBondContact CB-O 3.49Å; K314-F351 HydrophobicContact CB-CD1 4.06Å; K314-F351 HydrophobicContact CG-CD1 4.22Å
315	K	83.3	Confident	87.5	Confident	191 Å²	191	49.3 Å²	49.3	83%	0.83	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	105.1	-174.5	-169.2	177	-177.1	175.5	0	111.2	M313 F317	M313-K315 VanDerWaalsContact C-N 3.29Å; M313-K315 HydrophobicContact CG-CB 4.21Å; M313-K315 PolarHBondContact O-N 3.43Å; M313-K315 HydrophobicContact SD-CB 4.38Å; K315-F317 VanDerWaalsContact C-N 3.25Å; K315-F317 PolarHBondContact O-N 3.31Å
316	G	82.2	Confident	88.4	Confident	84 Å²	84	47.4 Å²	47.4	87%	0.866	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.9	7.4	-179.5	0	0	0	0	0	114.8	K314	K314-G316 PolarHBondContact O-N 2.9Å
317	F	86.6	Confident	89	Confident	29 Å²	29	40.1 Å²	40.1	13%	0.127	20%	0.204	C	C	.	.			trans	-93.7	119.6	175.9	-175.4	-106.4	0	0	0	109.5	K314 K315 M319 I325 L342 F351 P390	K314-F317 HydrophobicContact CG-CB 4.2Å; K314-F317 HydrophobicContact CG-CD1 4.33Å; K314-F317 WeakPolarHBondContact CG-O 3.45Å; K314-F317 PolarHBondContact O-N 2.94Å; K315-F317 VanDerWaalsContact C-N 3.25Å; K315-F317 PolarHBondContact O-N 3.31Å; F317-M319 HydrophobicContact CD1-CB 4.35Å; F317-M319 HydrophobicContact CD1-SD 4.46Å; F317-M319 HydrophobicContact CE1-CB 3.78Å; F317-M319 HydrophobicContact CE1-CG 4.39Å; F317-M319 HydrophobicContact CE1-SD 4.07Å; F317-M319 HydrophobicContact CZ-CB 4.45Å; F317-I325 HydrophobicContact CZ-CG2 3.84Å; F317-L342 HydrophobicContact CE1-CD1 4.15Å; F317-L342 HydrophobicContact CZ-CD1 4.31Å; F317-F351 HydrophobicContact CB-CE1 4.42Å; F317-F351 HydrophobicContact CD1-CB 4.32Å; F317-F351 AromaticContact CD1-CD1 3.68Å; F317-F351 HydrophobicContact CD1-CD1 3.68Å; F317-F351 HydrophobicContact CD1-CD2 4.48Å; F317-F351 HydrophobicContact CD1-CE1 4.02Å; F317-F351 AromaticContact CD1-CG 3.92Å; F317-F351 HydrophobicContact CD1-CG 3.92Å; F317-F351 HydrophobicContact CE1-CB 4.3Å; F317-F351 HydrophobicContact CE1-CD1 4.19Å; F317-F351 HydrophobicContact CE1-CD2 4.17Å; F317-F351 AromaticContact CE1-CG 3.98Å; F317-F351 HydrophobicContact CE1-CG 3.98Å; F317-F351 HydrophobicContact CG-CD1 4.32Å; F317-F351 HydrophobicContact CG-CE1 4.25Å; F317-P390 HydrophobicContact CE2-CG 4.5Å; F317-P390 HydrophobicContact CZ-CB 4.08Å; F317-P390 HydrophobicContact CZ-CG 4.25Å
318	K	87.3	Confident	89.4	Confident	185 Å²	185	41.6 Å²	41.6	80%	0.804	21%	0.21	S	C	*	.			trans	-105.7	130.9	175.8	-65.8	-174.8	178	-174.5	0	108.5	P390	K318-P390 VanDerWaalsContact O-CG 3.27Å; K318-P390 WeakPolarHBondContact O-CG 3.45Å
319	M	89.3	Confident	89.5	Confident	8 Å²	8	41.6 Å²	41.6	4%	0.039	21%	0.21	C	C	.	.			trans	-137	153.4	179.2	71.2	-169.8	-174.2	0	0	110.4	F317 L342 S344 A345 P346 F351	F317-M319 HydrophobicContact CD1-CB 4.35Å; F317-M319 HydrophobicContact CD1-SD 4.46Å; F317-M319 HydrophobicContact CE1-CB 3.78Å; F317-M319 HydrophobicContact CE1-CG 4.39Å; F317-M319 HydrophobicContact CE1-SD 4.07Å; F317-M319 HydrophobicContact CZ-CB 4.45Å; M319-L342 HydrophobicContact CB-CD1 3.72Å; M319-L342 HydrophobicContact CG-CD1 4.27Å; M319-L342 HydrophobicContact SD-CB 4.47Å; M319-L342 HydrophobicContact SD-CD1 3.8Å; M319-L342 HydrophobicContact SD-CD2 4.43Å; M319-L342 HydrophobicContact SD-CG 4.47Å; M319-S344 WeakPolarHBondContact CE-OG 3.31Å; M319-A345 WeakPolarHBondContact CE-O 3.42Å; M319-P346 WeakPolarHBondContact O-CB 3.49Å; M319-F351 HydrophobicContact CE-CB 4.06Å; M319-F351 HydrophobicContact SD-CB 3.55Å; M319-F351 VanDerWaalsContact SD-CB 3.55Å
320	E	88.5	Confident	89.6	Confident	102 Å²	102	43.8 Å²	43.8	48%	0.477	23%	0.225	S	C	.	.			trans	-111.4	166.2	171	-64.4	-63.2	155	0	0	110.4	Q323 E396	E320-Q323 HydrophobicContact CB-CG 4.01Å; E320-Q323 WeakPolarHBondContact O-CB 3.28Å; E320-Q323 WeakPolarHBondContact O-CG 3.21Å; E320-Q323 PolarHBondContact O-N 3.49Å; E320-E396 HydrophobicContact CB-CG 4.19Å
321	V	88.8	Confident	89.4	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.006	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	139.9	-178.2	-65.2	0	0	0	0	112.4	Q323 P346 F399 V419 S422	V321-Q323 PolarHBondContact O-N 3.31Å; V321-Q323 VanDerWaalsContact O-N 3.09Å; V321-P346 HydrophobicContact CG1-CG 3.84Å; V321-F399 HydrophobicContact CB-CE2 4.32Å; V321-F399 HydrophobicContact CG1-CE2 3.84Å; V321-F399 HydrophobicContact CG1-CZ 4.28Å; V321-F399 HydrophobicContact CG2-CD2 4.1Å; V321-F399 HydrophobicContact CG2-CE2 3.54Å; V321-V419 HydrophobicContact CB-CG2 4Å; V321-V419 HydrophobicContact CG2-CG2 4.16Å; V321-S422 WeakPolarHBondContact CG1-OG 3.45Å
322	G	85.1	Confident	89.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	1.6	175.5	0	0	0	0	0	115	T393	G322-T393 WeakPolarHBondContact O-CB 3.32Å; G322-T393 VanDerWaalsContact O-CG2 3.26Å; G322-T393 WeakPolarHBondContact O-CG2 3.27Å; G322-T393 PolarHBondContact O-OG1 3Å
323	Q	89.4	Confident	89.1	Confident	21 Å²	21	49.8 Å²	49.8	10%	0.098	27%	0.272	C	S	.	.			trans	-64.7	160	172.9	-70.3	-169.5	-36.8	0	0	111.3	E320 V321 L342 P390 F391 E396	E320-Q323 HydrophobicContact CB-CG 4.01Å; E320-Q323 WeakPolarHBondContact O-CB 3.28Å; E320-Q323 WeakPolarHBondContact O-CG 3.21Å; E320-Q323 PolarHBondContact O-N 3.49Å; V321-Q323 PolarHBondContact O-N 3.31Å; V321-Q323 VanDerWaalsContact O-N 3.09Å; Q323-L342 HydrophobicContact CB-CD1 4.17Å; Q323-L342 WeakPolarHBondContact O-CB 3.19Å; Q323-L342 PolarHBondContact O-N 2.61Å; Q323-P390 HydrophobicContact CB-CB 4Å; Q323-P390 HydrophobicContact CG-CB 4.48Å; Q323-F391 WeakPolarHBondContact CA-O 3.46Å; Q323-F391 WeakPolarHBondContact CB-O 3.21Å; Q323-E396 HydrophobicContact CG-CG 4.2Å; Q323-E396 VanDerWaalsContact CG-OE1 3.25Å; Q323-E396 WeakPolarHBondContact CG-OE1 3.28Å; Q323-E396 PolarHBondContact NE2-OE1 3.06Å
324	Y	90.3	Very high	88.9	Confident	23 Å²	23	53.1 Å²	53.1	9%	0.09	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	161.9	177.1	72.4	-78.5	0	0	0	111.7	F326 P339 F340 F391 T393 F570	Y324-F326 HydrophobicContact CD2-CE2 4.31Å; Y324-F326 HydrophobicContact CE2-CD2 4.16Å; Y324-F326 AromaticContact CE2-CE2 3.53Å; Y324-F326 HydrophobicContact CE2-CE2 3.53Å; Y324-F326 HydrophobicContact CE2-CZ 4.14Å; Y324-P339 HydrophobicContact CD2-CB 4.04Å; Y324-P339 HydrophobicContact CE2-CB 4.29Å; Y324-F340 WeakPolarHBondContact CA-O 3.19Å; Y324-F340 WeakPolarHBondContact CB-O 3.32Å; Y324-F391 HydrophobicContact CD1-CB 4Å; Y324-F391 HydrophobicContact CE1-CB 3.51Å; Y324-F391 HydrophobicContact CE2-CB 4.1Å; Y324-F391 HydrophobicContact CE2-CD2 4.14Å; Y324-F391 HydrophobicContact CE2-CG 4.46Å; Y324-F391 HydrophobicContact CG-CB 4.48Å; Y324-F391 PolarHBondContact N-O 2.62Å; Y324-F391 PolarHBondContact O-N 3.48Å; Y324-T393 HydrophobicContact CD1-CG2 3.52Å; Y324-T393 HydrophobicContact CE1-CG2 3.95Å; Y324-F570 HydrophobicContact CD1-CD1 4.42Å; Y324-F570 HydrophobicContact CD1-CE1 4.13Å; Y324-F570 HydrophobicContact CG-CD1 4.27Å; Y324-F570 HydrophobicContact CG-CE1 4.15Å
325	I	92	Very high	88.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	155.6	178.1	57.2	169	0	0	0	109.9	M312 F317 V327 P339 F340 L342 F351 I353 V387 D388 P390	M312-I325 HydrophobicContact CE-CD1 4.34Å; F317-I325 HydrophobicContact CZ-CG2 3.84Å; I325-V327 HydrophobicContact CD1-CG2 3.81Å; I325-V327 HydrophobicContact CG1-CG2 4.03Å; I325-P339 CarbonylContact O-C 3.58Å; I325-P339 WeakPolarHBondContact O-CA 3.21Å; I325-F340 PolarHBondContact N-O 3.26Å; I325-F340 PolarHBondContact O-N 3.2Å; I325-L342 HydrophobicContact CD1-CD2 3.93Å; I325-L342 HydrophobicContact CG1-CD2 4.04Å; I325-L342 HydrophobicContact CG2-CD1 4.08Å; I325-L342 HydrophobicContact CG2-CD2 4.02Å; I325-L342 HydrophobicContact CG2-CG 4.17Å; I325-F351 HydrophobicContact CD1-CD2 4.36Å; I325-F351 HydrophobicContact CD1-CE2 4.02Å; I325-I353 HydrophobicContact CD1-CG2 3.83Å; I325-I353 HydrophobicContact CG1-CG2 4.06Å; I325-V387 HydrophobicContact CB-CG1 3.9Å; I325-V387 HydrophobicContact CD1-CG1 3.79Å; I325-V387 HydrophobicContact CD1-CG2 4.24Å; I325-V387 HydrophobicContact CG1-CG1 4.43Å; I325-V387 HydrophobicContact CG2-CG1 3.97Å; I325-D388 CarbonylContact C-O 3.56Å; I325-D388 WeakPolarHBondContact CA-O 3.46Å; I325-P390 HydrophobicContact CG2-CB 4.5Å
326	F	92	Very high	88.8	Confident	19 Å²	19	48.9 Å²	48.9	8%	0.083	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	134.8	163.9	-77.7	-94.7	0	0	0	109.5	R73 Y324 W337 H338 P339 V387 D388 F391	R73-F326 VanDerWaalsContact NH1-CZ 3.28Å; Y324-F326 HydrophobicContact CD2-CE2 4.31Å; Y324-F326 HydrophobicContact CE2-CD2 4.16Å; Y324-F326 AromaticContact CE2-CE2 3.53Å; Y324-F326 HydrophobicContact CE2-CE2 3.53Å; Y324-F326 HydrophobicContact CE2-CZ 4.14Å; F326-W337 HydrophobicContact CB-CB 4.3Å; F326-W337 HydrophobicContact CB-CE3 3.83Å; F326-W337 HydrophobicContact CD1-CB 3.99Å; F326-H338 CarbonylContact C-O 3.57Å; F326-H338 WeakPolarHBondContact CA-O 3.49Å; F326-P339 HydrophobicContact CD1-CB 4.1Å; F326-P339 HydrophobicContact CE1-CB 3.77Å; F326-P339 HydrophobicContact CE1-CG 4.05Å; F326-P339 HydrophobicContact CE2-CB 4.43Å; F326-P339 HydrophobicContact CZ-CB 3.94Å; F326-P339 HydrophobicContact CZ-CG 4.46Å; F326-V387 CarbonylContact O-C 3.52Å; F326-V387 WeakPolarHBondContact O-CA 3.37Å; F326-D388 HydrophobicContact CB-CB 4.2Å; F326-D388 PolarHBondContact N-O 3.12Å; F326-D388 PolarHBondContact O-N 2.92Å; F326-F391 AromaticContact CD2-CD2 3.83Å; F326-F391 HydrophobicContact CD2-CD2 3.83Å; F326-F391 AromaticContact CD2-CE2 3.58Å; F326-F391 HydrophobicContact CD2-CE2 3.58Å; F326-F391 HydrophobicContact CE2-CD2 4.1Å; F326-F391 HydrophobicContact CE2-CE2 4.09Å
327	V	92.7	Very high	89.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.1	-177.4	179.1	0	0	0	0	108.8	I325 W337 H338 F340 I353 W361 I385	I325-V327 HydrophobicContact CD1-CG2 3.81Å; I325-V327 HydrophobicContact CG1-CG2 4.03Å; V327-W337 WeakPolarHBondContact O-CA 3.08Å; V327-H338 PolarHBondContact N-O 3.29Å; V327-H338 PolarHBondContact O-N 3.41Å; V327-F340 HydrophobicContact CB-CD2 3.93Å; V327-F340 HydrophobicContact CB-CE2 4.19Å; V327-F340 HydrophobicContact CG2-CD2 3.81Å; V327-I353 HydrophobicContact CG2-CD1 3.74Å; V327-W361 HydrophobicContact CB-CH2 4.4Å; V327-W361 HydrophobicContact CG1-CH2 4.06Å; V327-I385 HydrophobicContact CG1-CD1 4.4Å; V327-I385 HydrophobicContact CG1-CG2 3.59Å
328	K	92.6	Very high	89.2	Confident	35 Å²	35	48.7 Å²	48.7	15%	0.152	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.4	170.1	173.2	177.4	68.8	172.1	0	109.5	K334 E336 W337 I385 A386	K328-K334 WeakPolarHBondContact CD-O 3.39Å; K328-E336 WeakPolarHBondContact CB-O 3.38Å; K328-E336 VanDerWaalsContact CG-O 3.28Å; K328-E336 WeakPolarHBondContact CG-O 3.3Å; K328-W337 HydrophobicContact CB-CD2 3.63Å; K328-W337 HydrophobicContact CB-CE3 3.57Å; K328-W337 HydrophobicContact CB-CG 4.27Å; K328-W337 HydrophobicContact CB-CH2 4Å; K328-W337 HydrophobicContact CB-CZ2 4.02Å; K328-W337 HydrophobicContact CB-CZ3 3.77Å; K328-W337 HydrophobicContact CD-CD2 4.4Å; K328-W337 HydrophobicContact CD-CZ2 4Å; K328-W337 VanDerWaalsContact CE-CZ2 3.47Å; K328-I385 WeakPolarHBondContact O-CA 3.2Å; K328-A386 HydrophobicContact CB-CB 4.34Å; K328-A386 PolarHBondContact N-O 3.44Å; K328-A386 PolarHBondContact O-N 2.99Å
329	C	92.1	Very high	89.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.221	C	C	.	.			trans	-114.9	100.9	173.5	-176.3	0	0	0	0	109.1	A331 V332 S333 W361 L365	C329-A331 PolarHBondContact O-N 3.22Å; C329-A331 VanDerWaalsContact O-N 3.1Å; C329-V332 HydrophobicContact CB-CB 4.37Å; C329-V332 HydrophobicContact CB-CG2 4.15Å; C329-V332 PolarHBondContact O-N 2.99Å; C329-S333 CarbonylContact C-O 3.6Å; C329-S333 PolarHBondContact O-N 2.93Å; C329-W361 HydrophobicContact CB-CZ2 4.08Å; C329-L365 HydrophobicContact CB-CD1 3.9Å
330	P	91	Very high	89.5	Confident	61 Å²	61	43 Å²	43	40%	0.396	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.9	-178.8	-25.3	36.5	0	0	0	115	V332 S333 K384	P330-V332 VanDerWaalsContact C-N 3.28Å; P330-S333 WeakPolarHBondContact CA-O 3.36Å; P330-K384 VanDerWaalsContact CD-O 3.22Å; P330-K384 WeakPolarHBondContact CD-O 3.21Å
331	A	89.9	Confident	89.6	Confident	78 Å²	78	38.8 Å²	38.8	65%	0.645	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-24.7	172.9	0	0	0	0	0	112.6	C329 P383	C329-A331 PolarHBondContact O-N 3.22Å; C329-A331 VanDerWaalsContact O-N 3.1Å; A331-P383 HydrophobicContact CB-CB 4.24Å
332	V	89.8	Confident	89.8	Confident	48 Å²	48	38.7 Å²	38.7	29%	0.291	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-56.1	178.3	-179.4	0	0	0	0	110.2	C329 P330 W361 G364 L365 A368	C329-V332 HydrophobicContact CB-CB 4.37Å; C329-V332 HydrophobicContact CB-CG2 4.15Å; C329-V332 PolarHBondContact O-N 2.99Å; P330-V332 VanDerWaalsContact C-N 3.28Å; V332-W361 HydrophobicContact CG1-CG 4.05Å; V332-G364 WeakPolarHBondContact CG2-O 3.15Å; V332-L365 HydrophobicContact CG2-CB 4.49Å; V332-A368 HydrophobicContact CG2-CB 4.15Å
333	S	88.9	Confident	90.1	Very high	21 Å²	21	38.8 Å²	38.8	15%	0.147	21%	0.206	C	C	.	.			trans	-147.4	135.8	179.7	178.1	0	0	0	0	110.6	C329 P330 E336	C329-S333 CarbonylContact C-O 3.6Å; C329-S333 PolarHBondContact O-N 2.93Å; P330-S333 WeakPolarHBondContact CA-O 3.36Å; S333-E336 VanDerWaalsContact CB-OE1 3.31Å; S333-E336 WeakPolarHBondContact CB-OE1 3.32Å; S333-E336 VanDerWaalsContact OG-CD 3.27Å; S333-E336 WeakPolarHBondContact OG-CG 3.47Å; S333-E336 PolarHBondContact OG-N 3.3Å; S333-E336 PolarHBondContact OG-OE1 3.17Å
334	K	87.3	Confident	90.2	Very high	169 Å²	169	37.8 Å²	37.8	74%	0.735	20%	0.201	S	C	*	.	S	Bend	trans	-78.8	-20.1	-176.9	-67.4	-177.2	-178.3	175.8	0	113.3	K328	K328-K334 WeakPolarHBondContact CD-O 3.39Å
335	L	84.2	Confident	90.3	Very high	111 Å²	111	36.7 Å²	36.7	58%	0.581	20%	0.197	S	C	*	.	S	Bend	trans	-117.6	-27.6	-169	-62.5	179	0	0	0	113.5	W337	L335-W337 VanDerWaalsContact O-CD1 3.31Å
336	E	86	Confident	90.2	Very high	32 Å²	32	38 Å²	38	15%	0.15	21%	0.205	C	C	.	.			trans	-75.5	142.9	-174.7	-74.2	161.8	-119.8	0	0	113.4	K328 S333 H338	K328-E336 WeakPolarHBondContact CB-O 3.38Å; K328-E336 VanDerWaalsContact CG-O 3.28Å; K328-E336 WeakPolarHBondContact CG-O 3.3Å; S333-E336 VanDerWaalsContact CB-OE1 3.31Å; S333-E336 WeakPolarHBondContact CB-OE1 3.32Å; S333-E336 VanDerWaalsContact OG-CD 3.27Å; S333-E336 WeakPolarHBondContact OG-CG 3.47Å; S333-E336 PolarHBondContact OG-N 3.3Å; S333-E336 PolarHBondContact OG-OE1 3.17Å; E336-H338 IonicContact OE2-CE1 3.83Å; E336-H338 IonicContact OE2-NE2 2.89Å; E336-H338 PolarHBondContact OE2-NE2 3.42Å
337	W	88.5	Confident	90.2	Very high	70 Å²	70	40.3 Å²	40.3	27%	0.265	22%	0.216	S	C	.	.			trans	-130	123.2	175.3	-72.4	89.5	0	0	0	108.5	F326 V327 K328 L335 A386 D388	F326-W337 HydrophobicContact CB-CB 4.3Å; F326-W337 HydrophobicContact CB-CE3 3.83Å; F326-W337 HydrophobicContact CD1-CB 3.99Å; V327-W337 WeakPolarHBondContact O-CA 3.08Å; K328-W337 HydrophobicContact CB-CD2 3.63Å; K328-W337 HydrophobicContact CB-CE3 3.57Å; K328-W337 HydrophobicContact CB-CG 4.27Å; K328-W337 HydrophobicContact CB-CH2 4Å; K328-W337 HydrophobicContact CB-CZ2 4.02Å; K328-W337 HydrophobicContact CB-CZ3 3.77Å; K328-W337 HydrophobicContact CD-CD2 4.4Å; K328-W337 HydrophobicContact CD-CZ2 4Å; K328-W337 VanDerWaalsContact CE-CZ2 3.47Å; L335-W337 VanDerWaalsContact O-CD1 3.31Å; W337-A386 HydrophobicContact CH2-CB 3.69Å; W337-A386 HydrophobicContact CZ2-CB 4.46Å; W337-A386 HydrophobicContact CZ3-CB 4.23Å; W337-A386 WeakPolarHBondContact CZ3-O 3.22Å; W337-D388 HydrophobicContact CE3-CB 4.34Å; W337-D388 HydrophobicContact CH2-CB 4.29Å; W337-D388 HydrophobicContact CZ3-CB 3.9Å
338	H	88.5	Confident	90.1	Very high	38 Å²	38	41.1 Å²	41.1	18%	0.176	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	131.2	-176.4	-69.7	-92.5	0	0	0	110.4	F326 V327 E336 F340 W361	F326-H338 CarbonylContact C-O 3.57Å; F326-H338 WeakPolarHBondContact CA-O 3.49Å; V327-H338 PolarHBondContact N-O 3.29Å; V327-H338 PolarHBondContact O-N 3.41Å; E336-H338 IonicContact OE2-CE1 3.83Å; E336-H338 IonicContact OE2-NE2 2.89Å; E336-H338 PolarHBondContact OE2-NE2 3.42Å; H338-F340 HydrophobicContact CB-CD2 4.49Å; H338-F340 HydrophobicContact CB-CE2 3.6Å; H338-F340 HydrophobicContact CB-CZ 3.97Å; H338-F340 WeakPolarHBondContact O-CD2 3.32Å; H338-W361 HydrophobicContact CB-CD2 4.47Å; H338-W361 HydrophobicContact CB-CE3 4.14Å; H338-W361 HydrophobicContact CB-CH2 4.15Å; H338-W361 HydrophobicContact CB-CZ2 4.46Å; H338-W361 HydrophobicContact CB-CZ3 3.99Å; H338-W361 AromaticContact CD2-CD1 3.57Å; H338-W361 AromaticContact CD2-CD2 3.2Å; H338-W361 AromaticContact CD2-CE2 3.28Å; H338-W361 AromaticContact CD2-CE3 3.72Å; H338-W361 AromaticContact CD2-CG 3.42Å; H338-W361 VanDerWaalsContact CD2-CG 3.42Å; H338-W361 AromaticContact CD2-CZ2 3.85Å; H338-W361 AromaticContact CD2-NE1 3.49Å; H338-W361 PolarHBondContact CD2-NE1 3.21Å; H338-W361 AromaticContact CE1-CG 3.85Å; H338-W361 AromaticContact CG-CD2 3.79Å; H338-W361 AromaticContact CG-CE3 3.81Å; H338-W361 AromaticContact NE2-CD1 3.31Å; H338-W361 VanDerWaalsContact NE2-CD1 3.31Å; H338-W361 AromaticContact NE2-CD2 3.49Å; H338-W361 AromaticContact NE2-CE2 3.87Å; H338-W361 AromaticContact NE2-CG 3.12Å; H338-W361 AromaticContact NE2-NE1 3.73Å
339	P	90.3	Very high	90	Very high	48 Å²	48	46.8 Å²	46.8	31%	0.312	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	135.2	-179	31.1	-32.2	0	0	0	111.7	Y324 I325 F326	Y324-P339 HydrophobicContact CD2-CB 4.04Å; Y324-P339 HydrophobicContact CE2-CB 4.29Å; I325-P339 CarbonylContact O-C 3.58Å; I325-P339 WeakPolarHBondContact O-CA 3.21Å; F326-P339 HydrophobicContact CD1-CB 4.1Å; F326-P339 HydrophobicContact CE1-CB 3.77Å; F326-P339 HydrophobicContact CE1-CG 4.05Å; F326-P339 HydrophobicContact CE2-CB 4.43Å; F326-P339 HydrophobicContact CZ-CB 3.94Å; F326-P339 HydrophobicContact CZ-CG 4.46Å
340	F	91.3	Very high	90.1	Very high	27 Å²	27	49.6 Å²	49.6	12%	0.118	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	135.6	173.8	-63.2	-75	0	0	0	111.2	Y324 I325 V327 H338 I353 V355 W361 T362	Y324-F340 WeakPolarHBondContact CA-O 3.19Å; Y324-F340 WeakPolarHBondContact CB-O 3.32Å; I325-F340 PolarHBondContact N-O 3.26Å; I325-F340 PolarHBondContact O-N 3.2Å; V327-F340 HydrophobicContact CB-CD2 3.93Å; V327-F340 HydrophobicContact CB-CE2 4.19Å; V327-F340 HydrophobicContact CG2-CD2 3.81Å; H338-F340 HydrophobicContact CB-CD2 4.49Å; H338-F340 HydrophobicContact CB-CE2 3.6Å; H338-F340 HydrophobicContact CB-CZ 3.97Å; H338-F340 WeakPolarHBondContact O-CD2 3.32Å; F340-I353 HydrophobicContact CB-CB 3.99Å; F340-I353 HydrophobicContact CB-CD1 4.06Å; F340-I353 HydrophobicContact CB-CG2 3.94Å; F340-I353 HydrophobicContact CD2-CD1 4.06Å; F340-I353 HydrophobicContact CG-CD1 4.12Å; F340-V355 HydrophobicContact CD1-CG2 3.89Å; F340-V355 HydrophobicContact CE1-CB 4.14Å; F340-V355 HydrophobicContact CE1-CG1 3.7Å; F340-V355 HydrophobicContact CE1-CG2 3.79Å; F340-V355 HydrophobicContact CE2-CG2 4.42Å; F340-V355 HydrophobicContact CG-CG2 4.27Å; F340-V355 HydrophobicContact CZ-CG1 3.87Å; F340-V355 HydrophobicContact CZ-CG2 4.07Å; F340-W361 AromaticContact CE2-CH2 3.87Å; F340-W361 HydrophobicContact CE2-CH2 3.87Å; F340-W361 AromaticContact CE2-CZ3 3.57Å; F340-W361 HydrophobicContact CE2-CZ3 3.57Å; F340-W361 HydrophobicContact CZ-CE3 4.4Å; F340-W361 HydrophobicContact CZ-CH2 4.38Å; F340-W361 AromaticContact CZ-CZ3 3.63Å; F340-W361 HydrophobicContact CZ-CZ3 3.63Å; F340-T362 HydrophobicContact CZ-CG2 4.49Å
341	T	91.3	Very high	90.2	Very high	12 Å²	12	46.9 Å²	46.9	7%	0.074	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	138	175.5	-49.2	0	0	0	0	110.8	T343 P415 F570	T341-T343 PolarHBondContact O-N 3.26Å; T341-P415 HydrophobicContact CG2-CB 3.74Å; T341-P415 HydrophobicContact CG2-CG 4.39Å; T341-F570 HydrophobicContact CG2-CE1 4.43Å; T341-F570 HydrophobicContact CG2-CZ 4.22Å; T341-F570 WeakPolarHBondContact OG1-CE1 3.37Å; T341-F570 WeakPolarHBondContact OG1-CZ 3.32Å
342	L	92.6	Very high	90.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-71.7	120.5	172.5	-64.7	169.2	0	0	0	108.7	F317 M319 Q323 I325 F351 S352 I353 P390 S418	F317-L342 HydrophobicContact CE1-CD1 4.15Å; F317-L342 HydrophobicContact CZ-CD1 4.31Å; M319-L342 HydrophobicContact CB-CD1 3.72Å; M319-L342 HydrophobicContact CG-CD1 4.27Å; M319-L342 HydrophobicContact SD-CB 4.47Å; M319-L342 HydrophobicContact SD-CD1 3.8Å; M319-L342 HydrophobicContact SD-CD2 4.43Å; M319-L342 HydrophobicContact SD-CG 4.47Å; Q323-L342 HydrophobicContact CB-CD1 4.17Å; Q323-L342 WeakPolarHBondContact O-CB 3.19Å; Q323-L342 PolarHBondContact O-N 2.61Å; I325-L342 HydrophobicContact CD1-CD2 3.93Å; I325-L342 HydrophobicContact CG1-CD2 4.04Å; I325-L342 HydrophobicContact CG2-CD1 4.08Å; I325-L342 HydrophobicContact CG2-CD2 4.02Å; I325-L342 HydrophobicContact CG2-CG 4.17Å; L342-F351 HydrophobicContact CD2-CB 4.3Å; L342-F351 HydrophobicContact CD2-CD2 3.83Å; L342-F351 HydrophobicContact CD2-CG 4.49Å; L342-S352 WeakPolarHBondContact CA-O 3.23Å; L342-I353 HydrophobicContact CD2-CG2 4.12Å; L342-P390 HydrophobicContact CD1-CB 4.27Å; L342-S418 VanDerWaalsContact O-CB 3.31Å; L342-S418 WeakPolarHBondContact O-CB 3.31Å
343	T	91.4	Very high	90.6	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.006	20%	0.201	C	C	.	.			trans	-96.7	-21.3	-178.3	47.6	0	0	0	0	112.9	T341 S352 H354 T414 S418	T341-T343 PolarHBondContact O-N 3.26Å; T343-S352 PolarHBondContact N-O 3.32Å; T343-S352 PolarHBondContact OG1-O 2.81Å; T343-S352 VanDerWaalsContact OG1-O 3.08Å; T343-S352 PolarHBondContact OG1-OG 3.42Å; T343-S352 VanDerWaalsContact OG1-OG 3.09Å; T343-H354 VanDerWaalsContact CB-ND1 3.33Å; T343-H354 WeakPolarHBondContact CB-ND1 3.41Å; T343-H354 HydrophobicContact CG2-CB 4.06Å; T343-H354 VanDerWaalsContact CG2-ND1 3.34Å; T343-H354 WeakPolarHBondContact CG2-ND1 3.35Å; T343-H354 PolarHBondContact OG1-CE1 3.28Å; T343-H354 PolarHBondContact OG1-ND1 2.73Å; T343-T414 HydrophobicContact CG2-CG2 3.85Å; T343-S418 WeakPolarHBondContact O-CA 3.32Å; T343-S418 PolarHBondContact O-N 3.47Å
344	S	92.1	Very high	90.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-70.4	153.9	171.9	49.6	0	0	0	0	112.3	M319 E348 F351 S352 S418	M319-S344 WeakPolarHBondContact CE-OG 3.31Å; S344-E348 WeakPolarHBondContact CA-OE2 3.39Å; S344-E348 WeakPolarHBondContact CB-OE2 3.27Å; S344-F351 VanDerWaalsContact OG-CA 3.23Å; S344-F351 WeakPolarHBondContact OG-CA 3.35Å; S344-S352 PolarHBondContact OG-N 2.85Å; S344-S418 WeakPolarHBondContact O-CB 3.43Å; S344-S418 PolarHBondContact O-OG 2.8Å
345	A	91.7	Very high	90.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.			trans	-83.7	147.7	174.7	0	0	0	0	0	111.8	M319 E347 E348 K421 Y425	M319-A345 WeakPolarHBondContact CE-O 3.42Å; A345-E347 WeakPolarHBondContact CB-OE2 3.37Å; A345-E347 PolarHBondContact O-N 3.16Å; A345-E348 HydrophobicContact CB-CG 4.2Å; A345-E348 PolarHBondContact N-OE2 3.41Å; A345-E348 PolarHBondContact O-N 3.31Å; A345-K421 HydrophobicContact CB-CB 3.7Å; A345-Y425 HydrophobicContact CB-CD2 3.85Å; A345-Y425 HydrophobicContact CB-CE2 3.83Å
346	P	91	Very high	90.9	Very high	27 Å²	27	31.7 Å²	31.7	18%	0.175	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-19.3	172.7	-29.5	38.5	0	0	0	115.1	K314 M319 V321	K314-P346 PolarHBondContact NZ-O 2.76Å; M319-P346 WeakPolarHBondContact O-CB 3.49Å; V321-P346 HydrophobicContact CG1-CG 3.84Å
347	E	90.6	Very high	91	Very high	68 Å²	68	31.4 Å²	31.4	32%	0.318	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-15.7	179.5	-58.2	83.5	177.2	0	0	113.1	A345 S422 Y425 K426	A345-E347 WeakPolarHBondContact CB-OE2 3.37Å; A345-E347 PolarHBondContact O-N 3.16Å; E347-S422 PolarHBondContact OE1-OG 3.18Å; E347-S422 WeakPolarHBondContact OE2-CA 3.47Å; E347-S422 WeakPolarHBondContact OE2-CB 3.5Å; E347-S422 PolarHBondContact OE2-OG 3.49Å; E347-Y425 HydrophobicContact CB-CD1 4.27Å; E347-Y425 HydrophobicContact CB-CD2 3.77Å; E347-Y425 HydrophobicContact CB-CE2 4.37Å; E347-Y425 HydrophobicContact CB-CG 3.73Å; E347-Y425 HydrophobicContact CG-CD2 4.32Å; E347-Y425 HydrophobicContact CG-CG 4.12Å; E347-K426 WeakPolarHBondContact OE1-CE 3.41Å
348	E	91	Very high	90.7	Very high	17 Å²	17	33.4 Å²	33.4	8%	0.079	17%	0.17	C	C	.	.	S	Bend	trans	-76.8	150	178.3	-67.3	172	159	0	0	111.8	K314 S344 A345 Y350 K421 Y425	K314-E348 WeakPolarHBondContact CD-O 3.31Å; K314-E348 PolarHBondContact NZ-O 3.44Å; S344-E348 WeakPolarHBondContact CA-OE2 3.39Å; S344-E348 WeakPolarHBondContact CB-OE2 3.27Å; A345-E348 HydrophobicContact CB-CG 4.2Å; A345-E348 PolarHBondContact N-OE2 3.41Å; A345-E348 PolarHBondContact O-N 3.31Å; E348-Y350 HydrophobicContact CB-CD1 4.42Å; E348-Y350 HydrophobicContact CB-CE1 4.31Å; E348-Y350 PolarHBondContact O-N 3.45Å; E348-K421 IonicContact OE1-NZ 3.94Å; E348-K421 PolarHBondContact OE1-NZ 2.9Å; E348-K421 IonicContact OE2-NZ 3.46Å; E348-Y425 HydrophobicContact CG-CE2 3.89Å
349	D	91.4	Very high	90.5	Very high	155 Å²	155	33 Å²	33	83%	0.829	18%	0.176	S	C	*	.	S	Bend	trans	-76.3	-7.9	-179.4	-70.5	-38.7	0	0	0	114.5	K314	K314-D349 WeakPolarHBondContact CB-O 3.49Å
350	Y	93.1	Very high	90.3	Very high	59 Å²	59	36.5 Å²	36.5	23%	0.231	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	165.7	174.7	64.8	-88	0	0	0	109.4	Q311 M312 E348	Q311-Y350 HydrophobicContact CB-CD2 3.94Å; Q311-Y350 HydrophobicContact CB-CE2 4.35Å; Q311-Y350 HydrophobicContact CG-CD2 3.97Å; Q311-Y350 HydrophobicContact CG-CE2 3.86Å; Q311-Y350 PolarHBondContact NE2-OH 3.47Å; M312-Y350 WeakPolarHBondContact O-CA 3.4Å; M312-Y350 WeakPolarHBondContact O-CB 3.3Å; E348-Y350 HydrophobicContact CB-CD1 4.42Å; E348-Y350 HydrophobicContact CB-CE1 4.31Å; E348-Y350 PolarHBondContact O-N 3.45Å
351	F	94.3	Very high	90.3	Very high	4 Å²	4	35.5 Å²	35.5	2%	0.018	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.7	164	67.6	-85.8	0	0	0	109.7	V295 M312 M313 K314 F317 M319 I325 L342 S344 V387	V295-F351 HydrophobicContact CG1-CZ 3.88Å; M312-F351 HydrophobicContact CB-CD1 4.19Å; M312-F351 HydrophobicContact CB-CD2 4.13Å; M312-F351 HydrophobicContact CB-CE1 3.76Å; M312-F351 HydrophobicContact CB-CE2 3.68Å; M312-F351 HydrophobicContact CB-CG 4.38Å; M312-F351 HydrophobicContact CB-CZ 3.48Å; M312-F351 VanDerWaalsContact CB-CZ 3.48Å; M312-F351 HydrophobicContact CE-CD2 3.71Å; M312-F351 HydrophobicContact CE-CE2 3.4Å; M312-F351 VanDerWaalsContact CE-CE2 3.4Å; M312-F351 HydrophobicContact CE-CZ 4.33Å; M312-F351 HydrophobicContact CG-CE2 4.25Å; M312-F351 HydrophobicContact CG-CZ 4.31Å; M312-F351 PolarHBondContact N-O 3.39Å; M312-F351 PolarHBondContact O-N 3.3Å; M312-F351 HydrophobicContact SD-CD2 4.41Å; M312-F351 HydrophobicContact SD-CE2 3.57Å; M312-F351 VanDerWaalsContact SD-CE2 3.57Å; M312-F351 HydrophobicContact SD-CZ 3.96Å; M313-F351 WeakPolarHBondContact O-CE1 3.43Å; K314-F351 HydrophobicContact CB-CD1 4.06Å; K314-F351 HydrophobicContact CG-CD1 4.22Å; F317-F351 HydrophobicContact CB-CE1 4.42Å; F317-F351 HydrophobicContact CD1-CB 4.32Å; F317-F351 AromaticContact CD1-CD1 3.68Å; F317-F351 HydrophobicContact CD1-CD1 3.68Å; F317-F351 HydrophobicContact CD1-CD2 4.48Å; F317-F351 HydrophobicContact CD1-CE1 4.02Å; F317-F351 AromaticContact CD1-CG 3.92Å; F317-F351 HydrophobicContact CD1-CG 3.92Å; F317-F351 HydrophobicContact CE1-CB 4.3Å; F317-F351 HydrophobicContact CE1-CD1 4.19Å; F317-F351 HydrophobicContact CE1-CD2 4.17Å; F317-F351 AromaticContact CE1-CG 3.98Å; F317-F351 HydrophobicContact CE1-CG 3.98Å; F317-F351 HydrophobicContact CG-CD1 4.32Å; F317-F351 HydrophobicContact CG-CE1 4.25Å; M319-F351 HydrophobicContact CE-CB 4.06Å; M319-F351 HydrophobicContact SD-CB 3.55Å; M319-F351 VanDerWaalsContact SD-CB 3.55Å; I325-F351 HydrophobicContact CD1-CD2 4.36Å; I325-F351 HydrophobicContact CD1-CE2 4.02Å; L342-F351 HydrophobicContact CD2-CB 4.3Å; L342-F351 HydrophobicContact CD2-CD2 3.83Å; L342-F351 HydrophobicContact CD2-CG 4.49Å; S344-F351 VanDerWaalsContact OG-CA 3.23Å; S344-F351 WeakPolarHBondContact OG-CA 3.35Å; F351-V387 HydrophobicContact CE2-CG2 4.43Å; F351-V387 HydrophobicContact CZ-CG2 4.49Å
352	S	93.6	Very high	90.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	155.3	-177.8	75.2	0	0	0	0	113.4	E309 L310 L342 T343 S344	E309-S352 WeakPolarHBondContact OE1-CB 3.39Å; E309-S352 PolarHBondContact OE1-OG 3.48Å; E309-S352 VanDerWaalsContact OE1-OG 3.09Å; L310-S352 WeakPolarHBondContact O-CA 3.44Å; L310-S352 WeakPolarHBondContact O-CB 3.49Å; L342-S352 WeakPolarHBondContact CA-O 3.23Å; T343-S352 PolarHBondContact N-O 3.32Å; T343-S352 PolarHBondContact OG1-O 2.81Å; T343-S352 VanDerWaalsContact OG1-O 3.08Å; T343-S352 PolarHBondContact OG1-OG 3.42Å; T343-S352 VanDerWaalsContact OG1-OG 3.09Å; S344-S352 PolarHBondContact OG-N 2.85Å
353	I	93.7	Very high	90.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	147.1	173	61.2	179.4	0	0	0	109.3	E309 L310 M312 I325 V327 F340 L342 V355	E309-I353 WeakPolarHBondContact CA-O 3.31Å; L310-I353 HydrophobicContact CB-CG1 3.96Å; L310-I353 HydrophobicContact CD1-CD1 4.3Å; L310-I353 PolarHBondContact N-O 2.78Å; L310-I353 PolarHBondContact O-N 3.15Å; L310-I353 VanDerWaalsContact O-N 3.13Å; M312-I353 HydrophobicContact CE-CD1 4.14Å; M312-I353 HydrophobicContact CE-CG1 4Å; M312-I353 HydrophobicContact CE-CG2 4.31Å; I325-I353 HydrophobicContact CD1-CG2 3.83Å; I325-I353 HydrophobicContact CG1-CG2 4.06Å; V327-I353 HydrophobicContact CG2-CD1 3.74Å; F340-I353 HydrophobicContact CB-CB 3.99Å; F340-I353 HydrophobicContact CB-CD1 4.06Å; F340-I353 HydrophobicContact CB-CG2 3.94Å; F340-I353 HydrophobicContact CD2-CD1 4.06Å; F340-I353 HydrophobicContact CG-CD1 4.12Å; L342-I353 HydrophobicContact CD2-CG2 4.12Å; I353-V355 HydrophobicContact CD1-CG2 3.96Å; I353-V355 HydrophobicContact CG1-CG2 4.1Å
354	H	90	Very high	90	Very high	16 Å²	16	41.7 Å²	41.7	7%	0.074	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	121.4	170.3	-72.8	61.9	0	0	0	109.5	H303 T307 I308 E309 T343 T414 W453	H303-H354 AromaticContact CD2-CD2 3.87Å; H303-H354 AromaticContact CD2-NE2 3.87Å; H303-H354 AromaticContact NE2-CD2 3.99Å; H303-H354 AromaticContact NE2-NE2 3.49Å; H303-H354 PolarHBondContact NE2-NE2 3.18Å; T307-H354 HydrophobicContact CG2-CB 4.25Å; I308-H354 CarbonylContact O-C 3.59Å; I308-H354 WeakPolarHBondContact O-CA 3.37Å; E309-H354 IonicContact OE1-CE1 3.94Å; E309-H354 IonicContact OE2-CE1 3.2Å; E309-H354 IonicContact OE2-NE2 2.79Å; T343-H354 VanDerWaalsContact CB-ND1 3.33Å; T343-H354 WeakPolarHBondContact CB-ND1 3.41Å; T343-H354 HydrophobicContact CG2-CB 4.06Å; T343-H354 VanDerWaalsContact CG2-ND1 3.34Å; T343-H354 WeakPolarHBondContact CG2-ND1 3.35Å; T343-H354 PolarHBondContact OG1-CE1 3.28Å; T343-H354 PolarHBondContact OG1-ND1 2.73Å; H354-T414 HydrophobicContact CB-CG2 4.1Å; H354-W453 AromaticContact CD2-CD2 3.98Å; H354-W453 AromaticContact CD2-CE3 3.64Å; H354-W453 AromaticContact CD2-CZ3 3.76Å; H354-W453 AromaticContact CE1-CZ3 3.96Å; H354-W453 AromaticContact NE2-CE3 3.45Å; H354-W453 AromaticContact NE2-CZ3 3.58Å
355	V	89.7	Confident	90	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	114.9	-176.7	-177.5	0	0	0	0	108.8	T307 I308 F340 I353 T362 L365	T307-V355 CarbonylContact C-O 3.54Å; T307-V355 WeakPolarHBondContact CA-O 3.5Å; I308-V355 HydrophobicContact CG1-CB 3.93Å; I308-V355 PolarHBondContact N-O 3.19Å; I308-V355 PolarHBondContact O-N 2.87Å; F340-V355 HydrophobicContact CD1-CG2 3.89Å; F340-V355 HydrophobicContact CE1-CB 4.14Å; F340-V355 HydrophobicContact CE1-CG1 3.7Å; F340-V355 HydrophobicContact CE1-CG2 3.79Å; F340-V355 HydrophobicContact CE2-CG2 4.42Å; F340-V355 HydrophobicContact CG-CG2 4.27Å; F340-V355 HydrophobicContact CZ-CG1 3.87Å; F340-V355 HydrophobicContact CZ-CG2 4.07Å; I353-V355 HydrophobicContact CD1-CG2 3.96Å; I353-V355 HydrophobicContact CG1-CG2 4.1Å; V355-T362 HydrophobicContact CG1-CG2 3.88Å; V355-L365 HydrophobicContact CG1-CD2 4.41Å; V355-L365 HydrophobicContact CG2-CD2 4.4Å
356	R	86.9	Confident	89.9	Confident	91 Å²	91	43.6 Å²	43.6	34%	0.343	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	131.6	170.9	-168.8	-176.4	175	-173.2	-3.5	109.8	V358 I411	R356-V358 HydrophobicContact CB-CG1 4.46Å; R356-V358 HydrophobicContact CG-CG1 3.89Å; R356-V358 PolarHBondContact O-N 3.14Å; R356-I411 HydrophobicContact CB-CD1 4.21Å; R356-I411 HydrophobicContact CB-CG1 4.26Å
357	I	87.5	Confident	89.9	Confident	26 Å²	26	45.8 Å²	45.8	13%	0.133	24%	0.241	C	C	.	.			trans	-82.7	106.1	-178.9	-50.4	158.9	0	0	0	108.7	K306 E363 F366	K306-I357 HydrophobicContact CB-CB 4.14Å; K306-I357 HydrophobicContact CB-CD1 4.06Å; K306-I357 HydrophobicContact CB-CG1 4.47Å; K306-I357 VanDerWaalsContact O-CG1 3.29Å; K306-I357 WeakPolarHBondContact O-CG1 3.48Å; K306-I357 PolarHBondContact O-N 2.92Å; I357-E363 HydrophobicContact CG2-CB 3.98Å; I357-F366 HydrophobicContact CD1-CB 3.93Å; I357-F366 HydrophobicContact CD1-CD1 4.34Å; I357-F366 HydrophobicContact CD1-CD2 3.19Å; I357-F366 HydrophobicContact CD1-CE2 3.66Å; I357-F366 HydrophobicContact CD1-CG 3.57Å; I357-F366 HydrophobicContact CD1-CZ 4.42Å; I357-F366 HydrophobicContact CG1-CB 4.21Å; I357-F366 HydrophobicContact CG1-CD2 4.17Å; I357-F366 HydrophobicContact CG1-CG 4.38Å
358	V	83.1	Confident	89.8	Confident	112 Å²	112	44.1 Å²	44.1	68%	0.679	24%	0.239	S	C	*	.			trans	-135.8	-14.1	-175.4	-65.6	0	0	0	0	114.1	R356 T362	R356-V358 HydrophobicContact CB-CG1 4.46Å; R356-V358 HydrophobicContact CG-CG1 3.89Å; R356-V358 PolarHBondContact O-N 3.14Å; V358-T362 PolarHBondContact N-OG1 3.27Å
359	G	83.9	Confident	89.6	Confident	29 Å²	29	43.5 Å²	43.5	30%	0.299	24%	0.237	S	C	.	.	S	Bend	trans	-146.8	175.6	-179.1	0	0	0	0	0	112.8	W361 T362 E363	G359-W361 PolarHBondContact O-N 2.85Å; G359-T362 PolarHBondContact N-OG1 3.07Å; G359-T362 PolarHBondContact O-N 3.32Å; G359-T362 PolarHBondContact O-OG1 3.45Å; G359-E363 WeakPolarHBondContact O-CB 3.19Å; G359-E363 PolarHBondContact O-N 3.18Å
360	D	86.8	Confident	89.2	Confident	123 Å²	123	36.4 Å²	36.4	66%	0.658	20%	0.2	S	C	*	.	H	α-helix	trans	-51.7	-48.6	-177.7	58.2	-17.6	0	0	0	113.5	E363 G364	D360-E363 PolarHBondContact O-N 3.1Å; D360-G364 PolarHBondContact O-N 2.96Å
361	W	89.8	Confident	88.4	Confident	5 Å²	5	34.5 Å²	34.5	2%	0.019	20%	0.195	C	C	.	.	H	α-helix	trans	-66.5	-42.6	179.7	-173.2	95.1	0	0	0	112.1	V327 C329 V332 H338 F340 G359 E363 G364 L365	V327-W361 HydrophobicContact CB-CH2 4.4Å; V327-W361 HydrophobicContact CG1-CH2 4.06Å; C329-W361 HydrophobicContact CB-CZ2 4.08Å; V332-W361 HydrophobicContact CG1-CG 4.05Å; H338-W361 HydrophobicContact CB-CD2 4.47Å; H338-W361 HydrophobicContact CB-CE3 4.14Å; H338-W361 HydrophobicContact CB-CH2 4.15Å; H338-W361 HydrophobicContact CB-CZ2 4.46Å; H338-W361 HydrophobicContact CB-CZ3 3.99Å; H338-W361 AromaticContact CD2-CD1 3.57Å; H338-W361 AromaticContact CD2-CD2 3.2Å; H338-W361 AromaticContact CD2-CE2 3.28Å; H338-W361 AromaticContact CD2-CE3 3.72Å; H338-W361 AromaticContact CD2-CG 3.42Å; H338-W361 VanDerWaalsContact CD2-CG 3.42Å; H338-W361 AromaticContact CD2-CZ2 3.85Å; H338-W361 AromaticContact CD2-NE1 3.49Å; H338-W361 PolarHBondContact CD2-NE1 3.21Å; H338-W361 AromaticContact CE1-CG 3.85Å; H338-W361 AromaticContact CG-CD2 3.79Å; H338-W361 AromaticContact CG-CE3 3.81Å; H338-W361 AromaticContact NE2-CD1 3.31Å; H338-W361 VanDerWaalsContact NE2-CD1 3.31Å; H338-W361 AromaticContact NE2-CD2 3.49Å; H338-W361 AromaticContact NE2-CE2 3.87Å; H338-W361 AromaticContact NE2-CG 3.12Å; H338-W361 AromaticContact NE2-NE1 3.73Å; F340-W361 AromaticContact CE2-CH2 3.87Å; F340-W361 HydrophobicContact CE2-CH2 3.87Å; F340-W361 AromaticContact CE2-CZ3 3.57Å; F340-W361 HydrophobicContact CE2-CZ3 3.57Å; F340-W361 HydrophobicContact CZ-CE3 4.4Å; F340-W361 HydrophobicContact CZ-CH2 4.38Å; F340-W361 AromaticContact CZ-CZ3 3.63Å; F340-W361 HydrophobicContact CZ-CZ3 3.63Å; G359-W361 PolarHBondContact O-N 2.85Å; W361-E363 VanDerWaalsContact C-N 3.33Å; W361-E363 PolarHBondContact O-N 2.63Å; W361-G364 PolarHBondContact O-N 3.04Å; W361-L365 HydrophobicContact CH2-CD2 3.74Å; W361-L365 HydrophobicContact CZ3-CB 4.31Å; W361-L365 HydrophobicContact CZ3-CD2 3.63Å; W361-L365 PolarHBondContact O-N 3.18Å
362	T	90.6	Very high	87.3	Confident	13 Å²	13	38.5 Å²	38.5	8%	0.08	22%	0.217	C	C	.	.	H	α-helix	trans	-68.5	-33.3	179.7	54.1	0	0	0	0	112.4	F340 V355 V358 G359 L365 F366	F340-T362 HydrophobicContact CZ-CG2 4.49Å; V355-T362 HydrophobicContact CG1-CG2 3.88Å; V358-T362 PolarHBondContact N-OG1 3.27Å; G359-T362 PolarHBondContact N-OG1 3.07Å; G359-T362 PolarHBondContact O-N 3.32Å; G359-T362 PolarHBondContact O-OG1 3.45Å; T362-L365 PolarHBondContact O-N 3.39Å; T362-F366 PolarHBondContact O-N 3.22Å
363	E	90.2	Very high	86.1	Confident	108 Å²	108	44.3 Å²	44.3	51%	0.505	24%	0.242	S	C	.	.	H	α-helix	trans	-71.5	-42.4	173.8	-176.3	169.9	-157.6	0	0	111	I357 G359 D360 W361 L365 F366 N367	I357-E363 HydrophobicContact CG2-CB 3.98Å; G359-E363 WeakPolarHBondContact O-CB 3.19Å; G359-E363 PolarHBondContact O-N 3.18Å; D360-E363 PolarHBondContact O-N 3.1Å; W361-E363 VanDerWaalsContact C-N 3.33Å; W361-E363 PolarHBondContact O-N 2.63Å; E363-L365 VanDerWaalsContact C-N 3.28Å; E363-L365 PolarHBondContact O-N 2.75Å; E363-F366 WeakPolarHBondContact O-CB 3.21Å; E363-F366 PolarHBondContact O-N 3.23Å; E363-N367 PolarHBondContact O-N 2.74Å; E363-N367 PolarHBondContact O-ND2 3.26Å
364	G	90.1	Very high	84.4	Confident	23 Å²	23	54.4 Å²	54.4	24%	0.237	29%	0.289	C	S	.	.	H	α-helix	trans	-58.1	-40.7	171.5	0	0	0	0	0	112.4	V332 D360 W361 A368	V332-G364 WeakPolarHBondContact CG2-O 3.15Å; D360-G364 PolarHBondContact O-N 2.96Å; W361-G364 PolarHBondContact O-N 3.04Å; G364-A368 WeakPolarHBondContact O-CB 3.42Å; G364-A368 PolarHBondContact O-N 3.25Å
365	L	91.3	Very high	83.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-65.7	-41.7	176.2	-177.7	65.2	0	0	0	112	L310 C329 V332 V355 W361 T362 E363 A368 C369	L310-L365 HydrophobicContact CD1-CD2 3.89Å; L310-L365 HydrophobicContact CD1-CG 4.44Å; C329-L365 HydrophobicContact CB-CD1 3.9Å; V332-L365 HydrophobicContact CG2-CB 4.49Å; V355-L365 HydrophobicContact CG1-CD2 4.41Å; V355-L365 HydrophobicContact CG2-CD2 4.4Å; W361-L365 HydrophobicContact CH2-CD2 3.74Å; W361-L365 HydrophobicContact CZ3-CB 4.31Å; W361-L365 HydrophobicContact CZ3-CD2 3.63Å; W361-L365 PolarHBondContact O-N 3.18Å; T362-L365 PolarHBondContact O-N 3.39Å; E363-L365 VanDerWaalsContact C-N 3.28Å; E363-L365 PolarHBondContact O-N 2.75Å; L365-A368 PolarHBondContact O-N 2.77Å; L365-C369 PolarHBondContact O-N 3.25Å; L365-C369 PolarHBondContact O-SG 3.46Å
366	F	90.4	Very high	81.8	Confident	39 Å²	39	70.5 Å²	70.5	17%	0.171	36%	0.361	C	S	.	.	H	α-helix	trans	-58.4	-49.4	176.2	178.9	-94.6	0	0	0	111.6	I308 I357 T362 E363 C369 G370 C371 D372	I308-F366 HydrophobicContact CD1-CD2 4.46Å; I308-F366 HydrophobicContact CG2-CD2 3.5Å; I308-F366 HydrophobicContact CG2-CE2 3.72Å; I357-F366 HydrophobicContact CD1-CB 3.93Å; I357-F366 HydrophobicContact CD1-CD1 4.34Å; I357-F366 HydrophobicContact CD1-CD2 3.19Å; I357-F366 HydrophobicContact CD1-CE2 3.66Å; I357-F366 HydrophobicContact CD1-CG 3.57Å; I357-F366 HydrophobicContact CD1-CZ 4.42Å; I357-F366 HydrophobicContact CG1-CB 4.21Å; I357-F366 HydrophobicContact CG1-CD2 4.17Å; I357-F366 HydrophobicContact CG1-CG 4.38Å; T362-F366 PolarHBondContact O-N 3.22Å; E363-F366 WeakPolarHBondContact O-CB 3.21Å; E363-F366 PolarHBondContact O-N 3.23Å; F366-C369 PolarHBondContact O-N 2.97Å; F366-G370 PolarHBondContact O-N 2.87Å; F366-C371 HydrophobicContact CD1-CB 4.04Å; F366-C371 HydrophobicContact CD2-CB 3.51Å; F366-C371 HydrophobicContact CE1-CB 3.74Å; F366-C371 HydrophobicContact CE2-CB 3.21Å; F366-C371 HydrophobicContact CG-CB 3.93Å; F366-C371 HydrophobicContact CZ-CB 3.33Å; F366-C371 PolarHBondContact O-N 2.91Å; F366-D372 HydrophobicContact CE1-CB 4.42Å
367	N	89.5	Confident	80.8	Confident	74 Å²	74	68.6 Å²	68.6	40%	0.396	36%	0.356	S	S	.	.	H	α-helix	trans	-66.4	-39.7	177.8	-63.5	-23.4	0	0	0	111.9	E363 C369 G370	E363-N367 PolarHBondContact O-N 2.74Å; E363-N367 PolarHBondContact O-ND2 3.26Å; N367-C369 VanDerWaalsContact C-N 3.27Å; N367-C369 PolarHBondContact O-N 3.46Å; N367-G370 PolarHBondContact O-N 2.91Å
368	A	88.3	Confident	79.9	Confident	32 Å²	32	70.9 Å²	70.9	26%	0.264	37%	0.366	S	S	.	.	H	α-helix	trans	-64.7	-30.9	178.1	0	0	0	0	0	112.8	V332 G364 L365 G370 P383	V332-A368 HydrophobicContact CG2-CB 4.15Å; G364-A368 WeakPolarHBondContact O-CB 3.42Å; G364-A368 PolarHBondContact O-N 3.25Å; L365-A368 PolarHBondContact O-N 2.77Å; A368-G370 PolarHBondContact O-N 3.23Å; A368-P383 HydrophobicContact CB-CB 4.42Å; A368-P383 HydrophobicContact CB-CG 4.19Å; A368-P383 WeakPolarHBondContact O-CD 3.19Å
369	C	87.2	Confident	79.2	Confident	5 Å²	5	67.9 Å²	67.9	3%	0.034	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-3.8	173.3	-63.5	0	0	0	0	113	V300 L365 F366 N367 C371	V300-C369 HydrophobicContact CG1-CB 4.4Å; V300-C369 HydrophobicContact CG2-CB 4.44Å; L365-C369 PolarHBondContact O-N 3.25Å; L365-C369 PolarHBondContact O-SG 3.46Å; F366-C369 PolarHBondContact O-N 2.97Å; N367-C369 VanDerWaalsContact C-N 3.27Å; N367-C369 PolarHBondContact O-N 3.46Å; C369-C371 VanDerWaalsContact C-N 3.31Å
370	G	82.6	Confident	78.5	Confident	5 Å²	5	75.4 Å²	75.4	5%	0.052	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	19.8	179.9	0	0	0	0	0	114.2	F366 N367 A368 D372 K373	F366-G370 PolarHBondContact O-N 2.87Å; N367-G370 PolarHBondContact O-N 2.91Å; A368-G370 PolarHBondContact O-N 3.23Å; G370-D372 VanDerWaalsContact C-OD1 3.31Å; G370-D372 WeakPolarHBondContact CA-OD1 3.32Å; G370-D372 PolarHBondContact O-N 3.3Å; G370-K373 PolarHBondContact O-N 3Å; G370-K373 VanDerWaalsContact O-N 3.09Å
371	C	77.1	Confident	78.2	Confident	19 Å²	19	75.1 Å²	75.1	13%	0.128	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.6	-178.1	-60.9	0	0	0	0	113.5	I302 F366 C369 K373	I302-C371 HydrophobicContact CD1-CB 3.71Å; I302-C371 HydrophobicContact CG1-CB 4.12Å; F366-C371 HydrophobicContact CD1-CB 4.04Å; F366-C371 HydrophobicContact CD2-CB 3.51Å; F366-C371 HydrophobicContact CE1-CB 3.74Å; F366-C371 HydrophobicContact CE2-CB 3.21Å; F366-C371 HydrophobicContact CG-CB 3.93Å; F366-C371 HydrophobicContact CZ-CB 3.33Å; F366-C371 PolarHBondContact O-N 2.91Å; C369-C371 VanDerWaalsContact C-N 3.31Å; C371-K373 VanDerWaalsContact C-N 3.33Å
372	D	71.4	Confident	78.1	Confident	89 Å²	89	75.9 Å²	75.9	48%	0.476	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-18.5	171.6	62.1	-35.8	0	0	0	112.8	F366 G370	F366-D372 HydrophobicContact CE1-CB 4.42Å; G370-D372 VanDerWaalsContact C-OD1 3.31Å; G370-D372 WeakPolarHBondContact CA-OD1 3.32Å; G370-D372 PolarHBondContact O-N 3.3Å
373	K	68.2	Low	78	Confident	122 Å²	122	76.2 Å²	76.2	53%	0.53	37%	0.373	S	S	.	.	S	Bend	trans	-101.3	130.2	-177.7	-61.2	173.7	-170.4	-179.8	0	108.8	G370 C371 E375	G370-K373 PolarHBondContact O-N 3Å; G370-K373 VanDerWaalsContact O-N 3.09Å; C371-K373 VanDerWaalsContact C-N 3.33Å; K373-E375 PolarHBondContact O-N 3.43Å
374	Q	58.8	Low	78	Confident	211 Å²	211	79.8 Å²	79.8	99%	0.986	39%	0.387	S	S	*	.	S	Bend	trans	-68.9	7	176.9	-75.5	-178.3	-16.2	0	0	114.1
375	E	61.1	Low	78	Confident	161 Å²	161	79.1 Å²	79.1	75%	0.752	38%	0.378	S	S	*	.	S	Bend	trans	-99.5	137.2	-178	-69.6	-176.8	172.9	0	0	111.6	K373 Q377	K373-E375 PolarHBondContact O-N 3.43Å; E375-Q377 PolarHBondContact O-N 2.96Å
376	F	62.3	Low	78.1	Confident	193 Å²	193	79.6 Å²	79.6	85%	0.846	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-62.7	118.8	172.3	-176.2	-93.3	0	0	0	110.1
377	Q	66.2	Low	78.1	Confident	51 Å²	51	78 Å²	78	24%	0.238	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-88.9	124.9	173.8	-67.4	-147	6.6	0	0	111.4	E375 L382	E375-Q377 PolarHBondContact O-N 2.96Å; Q377-L382 HydrophobicContact CB-CD2 4.37Å
378	E	69.1	Low	78.2	Confident	74 Å²	74	74.8 Å²	74.8	35%	0.346	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-62.9	144.7	171.9	-66.8	164	-70.9	0	0	110.8	W380 K381	E378-W380 HydrophobicContact CB-CD2 3.82Å; E378-W380 HydrophobicContact CB-CE3 3.86Å; E378-W380 HydrophobicContact CB-CH2 3.68Å; E378-W380 HydrophobicContact CB-CZ2 3.6Å; E378-W380 HydrophobicContact CB-CZ3 3.79Å; E378-W380 HydrophobicContact CG-CH2 3.79Å; E378-W380 HydrophobicContact CG-CZ2 3.83Å; E378-W380 HydrophobicContact CG-CZ3 4.27Å; E378-W380 PolarHBondContact O-N 3.19Å; E378-W380 WeakPolarHBondContact OE1-CZ2 3.46Å; E378-W380 WeakPolarHBondContact OE2-CH2 3.2Å; E378-W380 WeakPolarHBondContact OE2-CZ2 3.18Å; E378-K381 WeakPolarHBondContact O-CB 3.42Å; E378-K381 PolarHBondContact O-N 3.46Å; E378-K381 IonicContact OE1-NZ 2.76Å; E378-K381 PolarHBondContact OE1-NZ 3.07Å
379	A	68.9	Low	78.1	Confident	50 Å²	50	73.5 Å²	73.5	41%	0.413	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.1	-169	0	0	0	0	0	115.2
380	W	69.8	Low	78.2	Confident	187 Å²	187	74.7 Å²	74.7	71%	0.708	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-15.4	176.5	60.9	86.1	0	0	0	114.6	E378	E378-W380 HydrophobicContact CB-CD2 3.82Å; E378-W380 HydrophobicContact CB-CE3 3.86Å; E378-W380 HydrophobicContact CB-CH2 3.68Å; E378-W380 HydrophobicContact CB-CZ2 3.6Å; E378-W380 HydrophobicContact CB-CZ3 3.79Å; E378-W380 HydrophobicContact CG-CH2 3.79Å; E378-W380 HydrophobicContact CG-CZ2 3.83Å; E378-W380 HydrophobicContact CG-CZ3 4.27Å; E378-W380 PolarHBondContact O-N 3.19Å; E378-W380 WeakPolarHBondContact OE1-CZ2 3.46Å; E378-W380 WeakPolarHBondContact OE2-CH2 3.2Å; E378-W380 WeakPolarHBondContact OE2-CZ2 3.18Å
381	K	80.3	Confident	78.3	Confident	116 Å²	116	74.6 Å²	74.6	50%	0.504	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-19.5	174.2	-66.7	174.2	177.3	153.3	0	111.8	E378	E378-K381 WeakPolarHBondContact O-CB 3.42Å; E378-K381 PolarHBondContact O-N 3.46Å; E378-K381 IonicContact OE1-NZ 2.76Å; E378-K381 PolarHBondContact OE1-NZ 3.07Å
382	L	86.1	Confident	78.4	Confident	22 Å²	22	74.5 Å²	74.5	12%	0.115	36%	0.356	C	S	.	.	S	Bend	trans	-64	148.7	177.6	-65.1	175.9	0	0	0	111.7	I297 V300 Q377	I297-L382 HydrophobicContact CB-CB 4.47Å; I297-L382 HydrophobicContact CB-CD1 3.85Å; I297-L382 HydrophobicContact CD1-CB 4.22Å; I297-L382 HydrophobicContact CG2-CD1 3.67Å; V300-L382 HydrophobicContact CG2-CD1 4.15Å; V300-L382 HydrophobicContact CG2-CD2 4Å; Q377-L382 HydrophobicContact CB-CD2 4.37Å
383	P	89.1	Confident	78.7	Confident	19 Å²	19	70.5 Å²	70.5	12%	0.123	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-67.8	147.5	-176.1	27.8	-34.3	0	0	0	111.2	I297 A331 A368 I385	I297-P383 HydrophobicContact CD1-CG 4.34Å; I297-P383 WeakPolarHBondContact CD1-O 3.45Å; A331-P383 HydrophobicContact CB-CB 4.24Å; A368-P383 HydrophobicContact CB-CB 4.42Å; A368-P383 HydrophobicContact CB-CG 4.19Å; A368-P383 WeakPolarHBondContact O-CD 3.19Å; P383-I385 PolarHBondContact O-N 3.32Å
384	K	89.4	Confident	79.1	Confident	184 Å²	184	65 Å²	65	80%	0.8	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-68.4	132.6	170.8	-67.7	179.7	-178.3	173.2	0	109.4	P330	P330-K384 VanDerWaalsContact CD-O 3.22Å; P330-K384 WeakPolarHBondContact CD-O 3.21Å
385	I	91.4	Very high	80.2	Confident	9 Å²	9	54.9 Å²	54.9	5%	0.046	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-116.1	139.9	175.2	-68.6	-175.4	0	0	0	109.6	I297 L310 V327 K328 P383 V387	I297-I385 HydrophobicContact CD1-CD1 3.52Å; I297-I385 HydrophobicContact CD1-CG1 3.98Å; I297-I385 HydrophobicContact CG1-CD1 3.98Å; I297-I385 HydrophobicContact CG1-CG1 4.46Å; L310-I385 HydrophobicContact CD1-CD1 4.1Å; V327-I385 HydrophobicContact CG1-CD1 4.4Å; V327-I385 HydrophobicContact CG1-CG2 3.59Å; K328-I385 WeakPolarHBondContact O-CA 3.2Å; P383-I385 PolarHBondContact O-N 3.32Å; I385-V387 HydrophobicContact CG2-CG2 4Å
386	A	92.3	Very high	81.2	Confident	10 Å²	10	49.2 Å²	49.2	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	138	166	0	0	0	0	0	109.5	K328 W337	K328-A386 HydrophobicContact CB-CB 4.34Å; K328-A386 PolarHBondContact N-O 3.44Å; K328-A386 PolarHBondContact O-N 2.99Å; W337-A386 HydrophobicContact CH2-CB 3.69Å; W337-A386 HydrophobicContact CZ2-CB 4.46Å; W337-A386 HydrophobicContact CZ3-CB 4.23Å; W337-A386 WeakPolarHBondContact CZ3-O 3.22Å
387	V	91.4	Very high	82.2	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.03	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	132.9	-177.9	174.6	0	0	0	0	109.8	V295 M312 I325 F326 F351 I385	V295-V387 HydrophobicContact CB-CG2 4.3Å; V295-V387 HydrophobicContact CG1-CG2 4.1Å; V295-V387 HydrophobicContact CG2-CB 4Å; V295-V387 HydrophobicContact CG2-CG2 3.81Å; M312-V387 HydrophobicContact SD-CG2 4.29Å; I325-V387 HydrophobicContact CB-CG1 3.9Å; I325-V387 HydrophobicContact CD1-CG1 3.79Å; I325-V387 HydrophobicContact CD1-CG2 4.24Å; I325-V387 HydrophobicContact CG1-CG1 4.43Å; I325-V387 HydrophobicContact CG2-CG1 3.97Å; F326-V387 CarbonylContact O-C 3.52Å; F326-V387 WeakPolarHBondContact O-CA 3.37Å; F351-V387 HydrophobicContact CE2-CG2 4.43Å; F351-V387 HydrophobicContact CZ-CG2 4.49Å; I385-V387 HydrophobicContact CG2-CG2 4Å
388	D	90.2	Very high	83.2	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.037	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	118.3	168.6	177	27.5	0	0	0	109.2	R287 R290 I325 F326 W337 F391	R287-D388 WeakPolarHBondContact CG-OD2 3.41Å; R287-D388 IonicContact CZ-OD2 3.61Å; R287-D388 IonicContact NH1-OD2 2.71Å; R287-D388 PolarHBondContact NH1-OD2 3.23Å; R290-D388 WeakPolarHBondContact CD-OD1 3.43Å; R290-D388 IonicContact CZ-OD1 3.74Å; R290-D388 IonicContact NE-OD1 3.84Å; R290-D388 IonicContact NH1-OD1 2.99Å; R290-D388 PolarHBondContact NH1-OD1 3.29Å; I325-D388 CarbonylContact C-O 3.56Å; I325-D388 WeakPolarHBondContact CA-O 3.46Å; F326-D388 HydrophobicContact CB-CB 4.2Å; F326-D388 PolarHBondContact N-O 3.12Å; F326-D388 PolarHBondContact O-N 2.92Å; W337-D388 HydrophobicContact CE3-CB 4.34Å; W337-D388 HydrophobicContact CH2-CB 4.29Å; W337-D388 HydrophobicContact CZ3-CB 3.9Å; D388-F391 VanDerWaalsContact O-CE2 3.25Å; D388-F391 WeakPolarHBondContact O-CE2 3.28Å; D388-F391 WeakPolarHBondContact OD1-CZ 3.29Å; D388-F391 WeakPolarHBondContact OD2-CZ 3.32Å
389	G	87.8	Confident	84.1	Confident	5 Å²	5	36 Å²	36	5%	0.052	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.4	-165.9	-179.4	0	0	0	0	0	112.5	R290	R290-G389 VanDerWaalsContact CD-O 3.27Å; R290-G389 WeakPolarHBondContact CD-O 3.18Å; R290-G389 PolarHBondContact NE-O 3.44Å
390	P	88.6	Confident	85	Confident	30 Å²	30	35.3 Å²	35.3	20%	0.195	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-76.3	158.2	2.4	35.5	-38.1	0	0	0	112.7	F317 K318 Q323 I325 L342	F317-P390 HydrophobicContact CE2-CG 4.5Å; F317-P390 HydrophobicContact CZ-CB 4.08Å; F317-P390 HydrophobicContact CZ-CG 4.25Å; K318-P390 VanDerWaalsContact O-CG 3.27Å; K318-P390 WeakPolarHBondContact O-CG 3.45Å; Q323-P390 HydrophobicContact CB-CB 4Å; Q323-P390 HydrophobicContact CG-CB 4.48Å; I325-P390 HydrophobicContact CG2-CB 4.5Å; L342-P390 HydrophobicContact CD1-CB 4.27Å
391	F	85.2	Confident	85.9	Confident	2 Å²	2	27 Å²	27	1%	0.009	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136.1	173.4	-65.6	-67.5	0	0	0	110.2	R73 N74 Q323 Y324 F326 D388	R73-F391 HydrophobicContact CB-CD1 3.63Å; R73-F391 HydrophobicContact CB-CE1 3.59Å; R73-F391 HydrophobicContact CB-CZ 4.47Å; N74-F391 WeakPolarHBondContact OD1-CE1 3.41Å; Q323-F391 WeakPolarHBondContact CA-O 3.46Å; Q323-F391 WeakPolarHBondContact CB-O 3.21Å; Y324-F391 HydrophobicContact CD1-CB 4Å; Y324-F391 HydrophobicContact CE1-CB 3.51Å; Y324-F391 HydrophobicContact CE2-CB 4.1Å; Y324-F391 HydrophobicContact CE2-CD2 4.14Å; Y324-F391 HydrophobicContact CE2-CG 4.46Å; Y324-F391 HydrophobicContact CG-CB 4.48Å; Y324-F391 PolarHBondContact N-O 2.62Å; Y324-F391 PolarHBondContact O-N 3.48Å; F326-F391 AromaticContact CD2-CD2 3.83Å; F326-F391 HydrophobicContact CD2-CD2 3.83Å; F326-F391 AromaticContact CD2-CE2 3.58Å; F326-F391 HydrophobicContact CD2-CE2 3.58Å; F326-F391 HydrophobicContact CE2-CD2 4.1Å; F326-F391 HydrophobicContact CE2-CE2 4.09Å; D388-F391 VanDerWaalsContact O-CE2 3.25Å; D388-F391 WeakPolarHBondContact O-CE2 3.28Å; D388-F391 WeakPolarHBondContact OD1-CZ 3.29Å; D388-F391 WeakPolarHBondContact OD2-CZ 3.32Å
392	G	78.5	Confident	86.4	Confident	17 Å²	17	24.8 Å²	24.8	18%	0.175	13%	0.13	C	C	.	.			trans	-73.3	150.6	-173.3	0	0	0	0	0	114.5	E396	G392-E396 WeakPolarHBondContact CA-OE1 3.36Å
393	T	77.8	Confident	86.7	Confident	6 Å²	6	23.8 Å²	23.8	4%	0.037	13%	0.126	C	C	.	.			trans	-136.3	164	-177.1	57.5	0	0	0	0	111.8	R80 G322 Y324 S395 E396 E568 F570	R80-T393 PolarHBondContact NH2-O 3.04Å; G322-T393 WeakPolarHBondContact O-CB 3.32Å; G322-T393 VanDerWaalsContact O-CG2 3.26Å; G322-T393 WeakPolarHBondContact O-CG2 3.27Å; G322-T393 PolarHBondContact O-OG1 3Å; Y324-T393 HydrophobicContact CD1-CG2 3.52Å; Y324-T393 HydrophobicContact CE1-CG2 3.95Å; T393-S395 PolarHBondContact O-N 3.03Å; T393-E396 PolarHBondContact N-OE1 3.33Å; T393-E396 WeakPolarHBondContact O-CB 3.26Å; T393-E396 WeakPolarHBondContact O-CG 3.4Å; T393-E396 PolarHBondContact O-N 3.47Å; T393-E568 VanDerWaalsContact CB-OE2 3.24Å; T393-E568 WeakPolarHBondContact CB-OE2 3.02Å; T393-F570 HydrophobicContact CG2-CE1 4.46Å
394	A	77.3	Confident	87	Confident	5 Å²	5	22.9 Å²	22.9	4%	0.041	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-62.1	-31.6	179.5	0	0	0	0	0	111.7	E396 D397 F535 N566 E568	A394-E396 PolarHBondContact O-N 2.92Å; A394-E396 VanDerWaalsContact O-N 3.09Å; A394-D397 WeakPolarHBondContact O-CB 3.23Å; A394-D397 PolarHBondContact O-N 3.07Å; A394-F535 VanDerWaalsContact O-CE1 3.3Å; A394-F535 WeakPolarHBondContact O-CE1 3.47Å; A394-N566 HydrophobicContact CB-CB 4.1Å; A394-E568 PolarHBondContact N-OE1 3.18Å
395	S	81.3	Confident	87.3	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-58.3	-19.9	178.7	-69.5	0	0	0	0	114.5	T393 D397 V398 E568	T393-S395 PolarHBondContact O-N 3.03Å; S395-D397 PolarHBondContact O-N 3.38Å; S395-V398 WeakPolarHBondContact O-CB 3.32Å; S395-V398 WeakPolarHBondContact O-CG2 3.47Å; S395-V398 PolarHBondContact O-N 2.95Å; S395-E568 WeakPolarHBondContact CA-OE1 3.45Å; S395-E568 VanDerWaalsContact CB-OE1 3.27Å; S395-E568 WeakPolarHBondContact CB-OE1 3.42Å; S395-E568 PolarHBondContact N-OE1 3.09Å; S395-E568 VanDerWaalsContact OG-CD 3.27Å; S395-E568 PolarHBondContact OG-OE1 2.7Å
396	E	81.8	Confident	87.5	Confident	42 Å²	42	13.7 Å²	13.7	20%	0.196	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-59.9	-30.2	171.5	-66.3	173.4	-168.6	0	0	112.5	R80 E320 Q323 G392 T393 A394 V398	R80-E396 IonicContact CZ-OE2 3.45Å; R80-E396 IonicContact NE-OE1 3.66Å; R80-E396 IonicContact NE-OE2 3.39Å; R80-E396 PolarHBondContact NE-OE2 3.4Å; R80-E396 IonicContact NH2-OE2 3.7Å; E320-E396 HydrophobicContact CB-CG 4.19Å; Q323-E396 HydrophobicContact CG-CG 4.2Å; Q323-E396 VanDerWaalsContact CG-OE1 3.25Å; Q323-E396 WeakPolarHBondContact CG-OE1 3.28Å; Q323-E396 PolarHBondContact NE2-OE1 3.06Å; G392-E396 WeakPolarHBondContact CA-OE1 3.36Å; T393-E396 PolarHBondContact N-OE1 3.33Å; T393-E396 WeakPolarHBondContact O-CB 3.26Å; T393-E396 WeakPolarHBondContact O-CG 3.4Å; T393-E396 PolarHBondContact O-N 3.47Å; A394-E396 PolarHBondContact O-N 2.92Å; A394-E396 VanDerWaalsContact O-N 3.09Å; E396-V398 PolarHBondContact O-N 2.98Å
397	D	84.1	Confident	87.6	Confident	3 Å²	3	13.2 Å²	13.2	2%	0.016	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-81.6	0.1	-177.3	-65.2	-50.2	0	0	0	112.5	R80 T88 R91 A394 S395 F399 S400 Y401	R80-D397 IonicContact CZ-OD2 3.96Å; R80-D397 IonicContact NH2-OD1 3.89Å; R80-D397 IonicContact NH2-OD2 2.69Å; R80-D397 PolarHBondContact NH2-OD2 2.84Å; T88-D397 HydrophobicContact CG2-CB 4.36Å; R91-D397 IonicContact CZ-OD1 3.36Å; R91-D397 IonicContact NH1-OD1 3.94Å; R91-D397 PolarHBondContact NH1-OD1 3.48Å; A394-D397 WeakPolarHBondContact O-CB 3.23Å; A394-D397 PolarHBondContact O-N 3.07Å; S395-D397 PolarHBondContact O-N 3.38Å; D397-F399 VanDerWaalsContact C-N 3.27Å; D397-F399 PolarHBondContact O-N 3.5Å; D397-S400 VanDerWaalsContact O-CB 3.28Å; D397-S400 WeakPolarHBondContact O-CB 3.46Å; D397-S400 PolarHBondContact O-N 3.36Å; D397-S400 PolarHBondContact O-OG 2.89Å; D397-Y401 HydrophobicContact CB-CE2 4.43Å; D397-Y401 WeakPolarHBondContact O-CD2 3.33Å; D397-Y401 WeakPolarHBondContact O-CE2 3.45Å
398	V	87.4	Confident	87.6	Confident	0 Å²	0	13 Å²	13	0%	0	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-52.9	-44.3	179.4	165.6	0	0	0	0	111.8	S395 E396 S400 Y401 V404 L406 V419 L436 F535	S395-V398 WeakPolarHBondContact O-CB 3.32Å; S395-V398 WeakPolarHBondContact O-CG2 3.47Å; S395-V398 PolarHBondContact O-N 2.95Å; E396-V398 PolarHBondContact O-N 2.98Å; V398-S400 PolarHBondContact O-N 3.04Å; V398-S400 VanDerWaalsContact O-N 3.14Å; V398-Y401 PolarHBondContact O-N 2.98Å; V398-V404 HydrophobicContact CG1-CG1 4.25Å; V398-V404 HydrophobicContact CG1-CG2 4.27Å; V398-L406 HydrophobicContact CG2-CD2 4.04Å; V398-V419 HydrophobicContact CB-CG1 4.36Å; V398-V419 HydrophobicContact CG1-CG1 3.78Å; V398-V419 HydrophobicContact CG2-CG1 4.42Å; V398-L436 HydrophobicContact CG1-CD2 4.25Å; V398-F535 HydrophobicContact CB-CE2 4.4Å; V398-F535 HydrophobicContact CB-CZ 4.43Å; V398-F535 HydrophobicContact CG2-CD1 4.11Å; V398-F535 HydrophobicContact CG2-CD2 3.84Å; V398-F535 HydrophobicContact CG2-CE1 4Å; V398-F535 HydrophobicContact CG2-CE2 3.7Å; V398-F535 HydrophobicContact CG2-CG 4.03Å; V398-F535 HydrophobicContact CG2-CZ 3.78Å
399	F	87.3	Confident	87.6	Confident	37 Å²	37	13.6 Å²	13.6	16%	0.162	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-70.2	-7.2	-179.9	-62.1	-71.4	0	0	0	114.1	V321 D397 Y401 V423 K426 L434 L436	V321-F399 HydrophobicContact CB-CE2 4.32Å; V321-F399 HydrophobicContact CG1-CE2 3.84Å; V321-F399 HydrophobicContact CG1-CZ 4.28Å; V321-F399 HydrophobicContact CG2-CD2 4.1Å; V321-F399 HydrophobicContact CG2-CE2 3.54Å; D397-F399 VanDerWaalsContact C-N 3.27Å; D397-F399 PolarHBondContact O-N 3.5Å; F399-Y401 VanDerWaalsContact C-N 3.34Å; F399-V423 HydrophobicContact CD1-CG2 4.49Å; F399-V423 HydrophobicContact CE1-CB 4.43Å; F399-V423 HydrophobicContact CE1-CG2 3.51Å; F399-V423 HydrophobicContact CZ-CG2 3.95Å; F399-K426 HydrophobicContact CD1-CD 4.42Å; F399-K426 HydrophobicContact CE1-CD 3.89Å; F399-K426 VanDerWaalsContact CE2-NZ 3.28Å; F399-K426 HydrophobicContact CZ-CD 3.98Å; F399-L434 HydrophobicContact CD1-CD2 4.4Å; F399-L436 HydrophobicContact CD1-CD2 4.37Å
400	S	87.1	Confident	87.4	Confident	36 Å²	36	14.6 Å²	14.6	25%	0.252	9%	0.09	S	C	.	.	G	3₁₀ helix	trans	-84	-8.9	177.2	77	0	0	0	0	113.8	D397 V398 K435	D397-S400 VanDerWaalsContact O-CB 3.28Å; D397-S400 WeakPolarHBondContact O-CB 3.46Å; D397-S400 PolarHBondContact O-N 3.36Å; D397-S400 PolarHBondContact O-OG 2.89Å; V398-S400 PolarHBondContact O-N 3.04Å; V398-S400 VanDerWaalsContact O-N 3.14Å; S400-K435 WeakPolarHBondContact O-CD 3.28Å; S400-K435 VanDerWaalsContact O-CE 3.29Å; S400-K435 WeakPolarHBondContact O-CE 3.42Å; S400-K435 PolarHBondContact O-NZ 3.12Å
401	Y	89.5	Confident	87.1	Confident	11 Å²	11	16 Å²	16	4%	0.043	10%	0.096	C	C	.	.			trans	-106.1	152.3	179.9	-63.1	-91.8	0	0	0	111.2	D397 V398 F399 V404 L436 F535 I564	D397-Y401 HydrophobicContact CB-CE2 4.43Å; D397-Y401 WeakPolarHBondContact O-CD2 3.33Å; D397-Y401 WeakPolarHBondContact O-CE2 3.45Å; V398-Y401 PolarHBondContact O-N 2.98Å; F399-Y401 VanDerWaalsContact C-N 3.34Å; Y401-V404 HydrophobicContact CD2-CG1 4.38Å; Y401-V404 HydrophobicContact CG-CG1 4.2Å; Y401-L436 VanDerWaalsContact O-CA 3.3Å; Y401-L436 WeakPolarHBondContact O-CA 3.23Å; Y401-F535 HydrophobicContact CD2-CE2 4.03Å; Y401-F535 AromaticContact CD2-CZ 3.9Å; Y401-F535 HydrophobicContact CD2-CZ 3.9Å; Y401-F535 HydrophobicContact CE2-CE2 4.11Å; Y401-F535 AromaticContact CE2-CZ 3.62Å; Y401-F535 HydrophobicContact CE2-CZ 3.62Å; Y401-I564 HydrophobicContact CE1-CB 4.06Å; Y401-I564 HydrophobicContact CE1-CD1 3.92Å; Y401-I564 HydrophobicContact CE1-CG1 4.18Å; Y401-I564 WeakPolarHBondContact OH-CG2 3.41Å
402	E	90.8	Very high	87	Confident	70 Å²	70	16.3 Å²	16.3	33%	0.327	10%	0.099	S	C	.	.	S	Bend	trans	-80.9	-39.3	172.8	-178.2	169.4	-172.2	0	0	111.7	K435 K437 K438	E402-K435 WeakPolarHBondContact CA-O 3.46Å; E402-K437 HydrophobicContact CG-CB 4.14Å; E402-K437 HydrophobicContact CG-CD 3.88Å; E402-K437 HydrophobicContact CG-CG 3.98Å; E402-K437 PolarHBondContact O-N 2.74Å; E402-K437 VanDerWaalsContact OE1-CD 3.25Å; E402-K437 WeakPolarHBondContact OE1-CD 3.37Å; E402-K437 WeakPolarHBondContact OE1-CE 3.48Å; E402-K437 IonicContact OE1-NZ 3.87Å; E402-K437 PolarHBondContact OE1-NZ 3.05Å; E402-K438 PolarHBondContact O-N 3.43Å
403	T	93.3	Very high	87.4	Confident	2 Å²	2	15.5 Å²	15.5	1%	0.012	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.9	177.1	-59	0	0	0	0	109.2	K438 Y440 H527 I532 G533	T403-K438 WeakPolarHBondContact CA-O 3.35Å; T403-K438 HydrophobicContact CG2-CB 4.18Å; T403-K438 HydrophobicContact CG2-CG 4.34Å; T403-Y440 HydrophobicContact CG2-CD2 3.96Å; T403-Y440 HydrophobicContact CG2-CE2 3.65Å; T403-H527 PolarHBondContact OG1-CE1 2.87Å; T403-H527 PolarHBondContact OG1-ND1 3.35Å; T403-H527 VanDerWaalsContact OG1-ND1 3.16Å; T403-I532 HydrophobicContact CG2-CG1 4.5Å; T403-I532 HydrophobicContact CG2-CG2 4.19Å; T403-I532 WeakPolarHBondContact O-CA 3.3Å; T403-G533 PolarHBondContact O-N 3.33Å; T403-G533 VanDerWaalsContact O-N 3.08Å
404	V	95	Very high	87.9	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	146.9	177.8	-59.9	0	0	0	0	112.3	V398 Y401 L406 L436 K438 I439 Y440 G533 F535	V398-V404 HydrophobicContact CG1-CG1 4.25Å; V398-V404 HydrophobicContact CG1-CG2 4.27Å; Y401-V404 HydrophobicContact CD2-CG1 4.38Å; Y401-V404 HydrophobicContact CG-CG1 4.2Å; V404-L406 HydrophobicContact CB-CD2 4.29Å; V404-L406 HydrophobicContact CG2-CD2 4Å; V404-L406 HydrophobicContact CG2-CG 4.09Å; V404-L436 HydrophobicContact CB-CD1 4.36Å; V404-L436 HydrophobicContact CG1-CD1 3.82Å; V404-L436 HydrophobicContact CG2-CD1 3.8Å; V404-K438 PolarHBondContact N-O 2.94Å; V404-I439 HydrophobicContact CG2-CB 4.24Å; V404-I439 HydrophobicContact CG2-CG1 3.87Å; V404-I439 HydrophobicContact CG2-CG2 4.1Å; V404-Y440 PolarHBondContact O-N 3.49Å; V404-G533 CarbonylContact C-O 3.58Å; V404-G533 VanDerWaalsContact CA-O 3.25Å; V404-G533 WeakPolarHBondContact CA-O 3.43Å; V404-F535 HydrophobicContact CB-CD2 4.43Å; V404-F535 HydrophobicContact CB-CE2 4.38Å; V404-F535 HydrophobicContact CG1-CE2 3.98Å
405	M	95.5	Very high	88.5	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	113.7	167.6	-61.9	176.4	67	0	0	108.2	Y440 Y442 F520 I523 I532 G533 V534 F535 F563	M405-Y440 CarbonylContact C-O 3.52Å; M405-Y440 VanDerWaalsContact CA-O 3.29Å; M405-Y440 WeakPolarHBondContact CA-O 3.47Å; M405-Y442 HydrophobicContact CE-CE2 3.93Å; M405-F520 HydrophobicContact CE-CD2 3.92Å; M405-F520 HydrophobicContact CE-CE2 3.62Å; M405-F520 HydrophobicContact CE-CZ 4.01Å; M405-F520 HydrophobicContact SD-CE1 4.34Å; M405-F520 HydrophobicContact SD-CE2 4.38Å; M405-F520 HydrophobicContact SD-CZ 4.23Å; M405-I523 HydrophobicContact CE-CD1 3.49Å; M405-I523 VanDerWaalsContact CE-CD1 3.49Å; M405-I523 HydrophobicContact CG-CD1 3.91Å; M405-I523 HydrophobicContact SD-CD1 3.57Å; M405-I523 VanDerWaalsContact SD-CD1 3.57Å; M405-I523 HydrophobicContact SD-CG2 4.42Å; M405-I532 HydrophobicContact CG-CG2 4.03Å; M405-I532 HydrophobicContact SD-CG2 4.31Å; M405-G533 PolarHBondContact N-O 2.93Å; M405-V534 HydrophobicContact CB-CG1 4.36Å; M405-V534 HydrophobicContact CB-CG2 4.27Å; M405-V534 HydrophobicContact CG-CG2 4.5Å; M405-V534 CarbonylContact O-C 3.53Å; M405-V534 WeakPolarHBondContact O-CA 3.28Å; M405-V534 HydrophobicContact SD-CG2 3.96Å; M405-F535 PolarHBondContact O-N 2.88Å; M405-F563 HydrophobicContact SD-CD1 4.02Å; M405-F563 HydrophobicContact SD-CE1 3.74Å
406	L	95.1	Very high	88.9	Confident	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	115.9	177.8	-55	-176.8	0	0	0	108.3	V398 V404 F416 V419 L420 I439 Y440 F441 Y442 F535	V398-L406 HydrophobicContact CG2-CD2 4.04Å; V404-L406 HydrophobicContact CB-CD2 4.29Å; V404-L406 HydrophobicContact CG2-CD2 4Å; V404-L406 HydrophobicContact CG2-CG 4.09Å; L406-F416 HydrophobicContact CB-CD1 3.88Å; L406-F416 HydrophobicContact CB-CD2 4.49Å; L406-F416 HydrophobicContact CB-CE1 3.97Å; L406-F416 HydrophobicContact CB-CG 4.16Å; L406-F416 HydrophobicContact CB-CZ 4.31Å; L406-F416 HydrophobicContact CD1-CD1 3.95Å; L406-F416 HydrophobicContact CD1-CG 4.42Å; L406-F416 HydrophobicContact CD2-CD1 3.9Å; L406-F416 HydrophobicContact CD2-CE1 3.76Å; L406-F416 HydrophobicContact CG-CD1 4.11Å; L406-F416 HydrophobicContact CG-CE1 4.3Å; L406-V419 HydrophobicContact CD1-CG1 4.16Å; L406-L420 HydrophobicContact CD1-CD2 4.42Å; L406-I439 HydrophobicContact CD1-CG2 3.72Å; L406-I439 HydrophobicContact CG-CG2 4.02Å; L406-Y440 PolarHBondContact N-O 2.67Å; L406-F441 HydrophobicContact CB-CD2 3.88Å; L406-F441 HydrophobicContact CD1-CD2 4.45Å; L406-F441 CarbonylContact O-C 3.58Å; L406-F441 WeakPolarHBondContact O-CA 3.34Å; L406-Y442 PolarHBondContact O-N 3.26Å; L406-F535 HydrophobicContact CD2-CB 3.97Å; L406-F535 HydrophobicContact CD2-CD2 3.91Å; L406-F535 HydrophobicContact CD2-CG 4.22Å
407	V	94.8	Very high	89.3	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	109.1	-178.2	-172.1	0	0	0	0	109.8	F416 Y442 L444 W516 F535 L536 C537 L542 L546	V407-F416 VanDerWaalsContact C-CE2 3.5Å; V407-F416 VanDerWaalsContact O-CE2 3.31Å; V407-F416 WeakPolarHBondContact O-CE2 3.45Å; V407-Y442 CarbonylContact C-O 3.57Å; V407-Y442 WeakPolarHBondContact CA-O 3.39Å; V407-Y442 HydrophobicContact CG2-CD2 4.23Å; V407-L444 HydrophobicContact CG1-CD1 3.82Å; V407-W516 HydrophobicContact CB-CH2 4.43Å; V407-W516 HydrophobicContact CG1-CH2 3.6Å; V407-W516 HydrophobicContact CG1-CZ2 3.94Å; V407-W516 HydrophobicContact CG2-CH2 3.91Å; V407-W516 HydrophobicContact CG2-CZ3 4.17Å; V407-F535 PolarHBondContact N-O 2.81Å; V407-L536 HydrophobicContact CB-CD1 4.06Å; V407-L536 HydrophobicContact CG1-CD1 3.94Å; V407-L536 WeakPolarHBondContact O-CA 3.11Å; V407-L536 WeakPolarHBondContact O-CD1 3.48Å; V407-C537 PolarHBondContact O-N 3.5Å; V407-L542 HydrophobicContact CG1-CD2 4.14Å; V407-L546 HydrophobicContact CB-CD1 3.94Å; V407-L546 HydrophobicContact CG1-CD1 3.96Å; V407-L546 HydrophobicContact CG2-CD1 3.91Å
408	G	91.9	Very high	89.7	Confident	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	137.8	175.8	0	0	0	0	0	111.8	Y442 W443 L444	G408-Y442 PolarHBondContact N-O 2.91Å; G408-W443 WeakPolarHBondContact O-CA 2.94Å; G408-L444 PolarHBondContact O-N 3.41Å
409	A	89.1	Confident	89.8	Confident	20 Å²	20	13.5 Å²	13.5	17%	0.165	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	121.2	172.2	0	0	0	0	0	111.9	I411 G412 L444 C537 L542	A409-I411 PolarHBondContact O-N 3.49Å; A409-G412 WeakPolarHBondContact O-CA 3.3Å; A409-G412 PolarHBondContact O-N 2.9Å; A409-L444 CarbonylContact C-O 3.54Å; A409-L444 VanDerWaalsContact CA-O 3.29Å; A409-L444 WeakPolarHBondContact CA-O 3.37Å; A409-C537 PolarHBondContact N-O 2.93Å; A409-L542 HydrophobicContact CB-CD2 4.27Å
410	G	84.9	Confident	90	Very high	25 Å²	25	11.9 Å²	11.9	26%	0.258	7%	0.074	S	C	.	.	G	3₁₀ helix	trans	57.9	-131.1	-176.3	0	0	0	0	0	112.3	G412 V413 W443 L444	G410-G412 PolarHBondContact O-N 2.72Å; G410-G412 VanDerWaalsContact O-N 3.13Å; G410-V413 PolarHBondContact O-N 2.97Å; G410-W443 PolarHBondContact O-NE1 3.4Å; G410-L444 PolarHBondContact N-O 2.93Å
411	I	81.5	Confident	90.1	Very high	61 Å²	61	12 Å²	12	31%	0.313	7%	0.07	S	C	.	.	G	3₁₀ helix	trans	-64.3	-12.9	174.8	-161.2	63.2	0	0	0	112.8	R356 A409 V413 T414	R356-I411 HydrophobicContact CB-CD1 4.21Å; R356-I411 HydrophobicContact CB-CG1 4.26Å; A409-I411 PolarHBondContact O-N 3.49Å; I411-V413 PolarHBondContact O-N 3.39Å; I411-T414 HydrophobicContact CD1-CG2 3.98Å; I411-T414 HydrophobicContact CG1-CG2 4.15Å; I411-T414 VanDerWaalsContact O-CG2 3.29Å; I411-T414 WeakPolarHBondContact O-CG2 3.42Å; I411-T414 PolarHBondContact O-N 3.28Å; I411-T414 PolarHBondContact O-OG1 3.48Å
412	G	83.8	Confident	90.1	Very high	7 Å²	7	11.5 Å²	11.5	7%	0.072	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-64.6	0.2	174.7	0	0	0	0	0	114.5	A409 G410 T414 P415 C537	A409-G412 WeakPolarHBondContact O-CA 3.3Å; A409-G412 PolarHBondContact O-N 2.9Å; G410-G412 PolarHBondContact O-N 2.72Å; G410-G412 VanDerWaalsContact O-N 3.13Å; G412-T414 VanDerWaalsContact C-N 3.31Å; G412-P415 WeakPolarHBondContact O-CD 3.42Å; G412-C537 WeakPolarHBondContact CA-SG 3.25Å; G412-C537 WeakPolarHBondContact O-CB 3.45Å; G412-C537 PolarHBondContact O-SG 3.48Å
413	V	86.6	Confident	90	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-74.7	-21.1	171.6	75.2	0	0	0	0	113.6	G410 I411 F416 A417 F441 W443 W453 F454	G410-V413 PolarHBondContact O-N 2.97Å; I411-V413 PolarHBondContact O-N 3.39Å; V413-F416 WeakPolarHBondContact O-CA 3.46Å; V413-F416 WeakPolarHBondContact O-CB 3.22Å; V413-F416 PolarHBondContact O-N 3.05Å; V413-A417 PolarHBondContact O-N 3.38Å; V413-F441 HydrophobicContact CG2-CE2 4.04Å; V413-F441 HydrophobicContact CG2-CZ 3.5Å; V413-W443 HydrophobicContact CB-CZ2 4.39Å; V413-W443 HydrophobicContact CG1-CZ2 3.86Å; V413-W443 HydrophobicContact CG2-CD2 4.12Å; V413-W443 HydrophobicContact CG2-CG 4.13Å; V413-W453 HydrophobicContact CG1-CH2 4.22Å; V413-W453 HydrophobicContact CG1-CZ2 3.59Å; V413-F454 HydrophobicContact CG1-CD2 4.19Å; V413-F454 HydrophobicContact CG1-CG 4.45Å; V413-F454 HydrophobicContact CG2-CD1 4.06Å; V413-F454 HydrophobicContact CG2-CD2 4Å; V413-F454 HydrophobicContact CG2-CE1 3.75Å; V413-F454 HydrophobicContact CG2-CE2 3.65Å; V413-F454 HydrophobicContact CG2-CG 4.18Å; V413-F454 HydrophobicContact CG2-CZ 3.52Å
414	T	88.2	Confident	89.5	Confident	12 Å²	12	10.2 Å²	10.2	7%	0.074	6%	0.06	C	C	.	.	H	α-helix	trans	-49.4	-45.3	-175.6	45.7	0	0	0	0	116.5	T343 H354 I411 G412 F416 A417 W453	T343-T414 HydrophobicContact CG2-CG2 3.85Å; H354-T414 HydrophobicContact CB-CG2 4.1Å; I411-T414 HydrophobicContact CD1-CG2 3.98Å; I411-T414 HydrophobicContact CG1-CG2 4.15Å; I411-T414 VanDerWaalsContact O-CG2 3.29Å; I411-T414 WeakPolarHBondContact O-CG2 3.42Å; I411-T414 PolarHBondContact O-N 3.28Å; I411-T414 PolarHBondContact O-OG1 3.48Å; G412-T414 VanDerWaalsContact C-N 3.31Å; T414-F416 PolarHBondContact O-N 3.47Å; T414-A417 VanDerWaalsContact O-CB 3.31Å; T414-A417 WeakPolarHBondContact O-CB 3.48Å; T414-A417 PolarHBondContact O-N 3.19Å; T414-W453 HydrophobicContact CG2-CH2 4.1Å; T414-W453 HydrophobicContact CG2-CZ2 4.09Å
415	P	89.3	Confident	89.1	Confident	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-60.3	-35.9	175.3	19.9	-31.1	0	0	0	112.6	T341 G412 A417 S418 V419 C537 F570	T341-P415 HydrophobicContact CG2-CB 3.74Å; T341-P415 HydrophobicContact CG2-CG 4.39Å; G412-P415 WeakPolarHBondContact O-CD 3.42Å; P415-A417 VanDerWaalsContact C-N 3.3Å; P415-A417 PolarHBondContact O-N 2.78Å; P415-S418 PolarHBondContact O-N 2.91Å; P415-V419 WeakPolarHBondContact O-CG2 3.5Å; P415-V419 PolarHBondContact O-N 2.84Å; P415-C537 HydrophobicContact CG-CB 3.81Å; P415-F570 HydrophobicContact CG-CZ 4.49Å
416	F	91.1	Very high	88.5	Confident	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-74.6	-21	-178.1	-54.8	-52.1	0	0	0	112.7	L406 V407 V413 T414 V419 L420 F441 F535 C537	L406-F416 HydrophobicContact CB-CD1 3.88Å; L406-F416 HydrophobicContact CB-CD2 4.49Å; L406-F416 HydrophobicContact CB-CE1 3.97Å; L406-F416 HydrophobicContact CB-CG 4.16Å; L406-F416 HydrophobicContact CB-CZ 4.31Å; L406-F416 HydrophobicContact CD1-CD1 3.95Å; L406-F416 HydrophobicContact CD1-CG 4.42Å; L406-F416 HydrophobicContact CD2-CD1 3.9Å; L406-F416 HydrophobicContact CD2-CE1 3.76Å; L406-F416 HydrophobicContact CG-CD1 4.11Å; L406-F416 HydrophobicContact CG-CE1 4.3Å; V407-F416 VanDerWaalsContact C-CE2 3.5Å; V407-F416 VanDerWaalsContact O-CE2 3.31Å; V407-F416 WeakPolarHBondContact O-CE2 3.45Å; V413-F416 WeakPolarHBondContact O-CA 3.46Å; V413-F416 WeakPolarHBondContact O-CB 3.22Å; V413-F416 PolarHBondContact O-N 3.05Å; T414-F416 PolarHBondContact O-N 3.47Å; F416-V419 PolarHBondContact O-N 3.46Å; F416-L420 WeakPolarHBondContact O-CB 3.3Å; F416-L420 VanDerWaalsContact O-CG 3.25Å; F416-L420 WeakPolarHBondContact O-CG 3.44Å; F416-L420 PolarHBondContact O-N 3.46Å; F416-F441 HydrophobicContact CB-CD2 4.44Å; F416-F441 HydrophobicContact CB-CE2 3.82Å; F416-F441 HydrophobicContact CD2-CE2 4.19Å; F416-F441 HydrophobicContact CG-CE2 4.27Å; F416-F535 HydrophobicContact CE1-CB 3.89Å; F416-F535 HydrophobicContact CZ-CB 4.1Å; F416-C537 HydrophobicContact CE2-CB 4.03Å; F416-C537 HydrophobicContact CZ-CB 4.27Å
417	A	89.7	Confident	87.8	Confident	1 Å²	1	18.3 Å²	18.3	1%	0.008	9%	0.093	C	C	.	.	H	α-helix	trans	-58.1	-50.1	169	0	0	0	0	0	111	V413 T414 P415 V419 L420 K421 W453 F454 L457	V413-A417 PolarHBondContact O-N 3.38Å; T414-A417 VanDerWaalsContact O-CB 3.31Å; T414-A417 WeakPolarHBondContact O-CB 3.48Å; T414-A417 PolarHBondContact O-N 3.19Å; P415-A417 VanDerWaalsContact C-N 3.3Å; P415-A417 PolarHBondContact O-N 2.78Å; A417-V419 PolarHBondContact O-N 2.88Å; A417-L420 PolarHBondContact O-N 3.49Å; A417-K421 WeakPolarHBondContact O-CB 3.5Å; A417-K421 VanDerWaalsContact O-CG 3.31Å; A417-K421 WeakPolarHBondContact O-CG 3.42Å; A417-K421 PolarHBondContact O-N 2.93Å; A417-W453 HydrophobicContact CB-CH2 4.27Å; A417-W453 HydrophobicContact CB-CZ3 4.38Å; A417-F454 HydrophobicContact CB-CD2 4.2Å; A417-F454 HydrophobicContact CB-CE2 3.68Å; A417-L457 HydrophobicContact CB-CD2 4.04Å
418	S	91.4	Very high	86.9	Confident	1 Å²	1	20 Å²	20	1%	0.007	11%	0.105	C	C	.	.	H	α-helix	trans	-63.2	-42.9	178.5	-179.6	0	0	0	0	111.5	L342 T343 S344 P415 S422	L342-S418 VanDerWaalsContact O-CB 3.31Å; L342-S418 WeakPolarHBondContact O-CB 3.31Å; T343-S418 WeakPolarHBondContact O-CA 3.32Å; T343-S418 PolarHBondContact O-N 3.47Å; S344-S418 WeakPolarHBondContact O-CB 3.43Å; S344-S418 PolarHBondContact O-OG 2.8Å; P415-S418 PolarHBondContact O-N 2.91Å; S418-S422 WeakPolarHBondContact O-CB 3.2Å; S418-S422 PolarHBondContact O-N 3.37Å
419	V	91	Very high	86.2	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.3	-53.4	176.8	172.7	0	0	0	0	111.2	V321 V398 L406 P415 F416 A417 K421 S422 V423	V321-V419 HydrophobicContact CB-CG2 4Å; V321-V419 HydrophobicContact CG2-CG2 4.16Å; V398-V419 HydrophobicContact CB-CG1 4.36Å; V398-V419 HydrophobicContact CG1-CG1 3.78Å; V398-V419 HydrophobicContact CG2-CG1 4.42Å; L406-V419 HydrophobicContact CD1-CG1 4.16Å; P415-V419 WeakPolarHBondContact O-CG2 3.5Å; P415-V419 PolarHBondContact O-N 2.84Å; F416-V419 PolarHBondContact O-N 3.46Å; A417-V419 PolarHBondContact O-N 2.88Å; V419-K421 PolarHBondContact O-N 3.37Å; V419-S422 PolarHBondContact O-N 3.16Å; V419-V423 HydrophobicContact CG1-CG2 4.28Å; V419-V423 WeakPolarHBondContact O-CB 3.34Å; V419-V423 WeakPolarHBondContact O-CG2 3.32Å; V419-V423 PolarHBondContact O-N 2.94Å
420	L	90.2	Very high	85.2	Confident	4 Å²	4	30.4 Å²	30.4	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-63.8	-40.3	-176.1	-70.9	175	0	0	0	112.1	L406 F416 A417 V423 W424 I439 F441 F454 L458 L461 L474	L406-L420 HydrophobicContact CD1-CD2 4.42Å; F416-L420 WeakPolarHBondContact O-CB 3.3Å; F416-L420 VanDerWaalsContact O-CG 3.25Å; F416-L420 WeakPolarHBondContact O-CG 3.44Å; F416-L420 PolarHBondContact O-N 3.46Å; A417-L420 PolarHBondContact O-N 3.49Å; L420-V423 PolarHBondContact O-N 3.44Å; L420-W424 PolarHBondContact O-N 3.48Å; L420-W424 VanDerWaalsContact O-N 3.09Å; L420-I439 HydrophobicContact CD2-CD1 4.01Å; L420-I439 HydrophobicContact CD2-CG2 4.37Å; L420-F441 HydrophobicContact CD1-CD2 4.29Å; L420-F441 HydrophobicContact CD1-CE2 4.36Å; L420-F454 HydrophobicContact CD1-CE1 4.45Å; L420-F454 HydrophobicContact CD1-CZ 3.86Å; L420-L458 HydrophobicContact CD1-CD2 4.06Å; L420-L461 HydrophobicContact CB-CD1 3.71Å; L420-L461 HydrophobicContact CD1-CD1 4.35Å; L420-L474 HydrophobicContact CD2-CD1 3.8Å; L420-L474 HydrophobicContact CD2-CD2 4.28Å
421	K	89.9	Confident	84	Confident	39 Å²	39	31.6 Å²	31.6	17%	0.17	16%	0.159	C	C	.	.	H	α-helix	trans	-62.2	-45.6	173.2	-72.8	178.7	167	-158.7	0	112.3	A345 E348 A417 V419 W424 Y425 L457	A345-K421 HydrophobicContact CB-CB 3.7Å; E348-K421 IonicContact OE1-NZ 3.94Å; E348-K421 PolarHBondContact OE1-NZ 2.9Å; E348-K421 IonicContact OE2-NZ 3.46Å; A417-K421 WeakPolarHBondContact O-CB 3.5Å; A417-K421 VanDerWaalsContact O-CG 3.31Å; A417-K421 WeakPolarHBondContact O-CG 3.42Å; A417-K421 PolarHBondContact O-N 2.93Å; V419-K421 PolarHBondContact O-N 3.37Å; K421-W424 WeakPolarHBondContact O-CB 3.28Å; K421-W424 PolarHBondContact O-N 2.98Å; K421-Y425 WeakPolarHBondContact O-CD2 3.39Å; K421-Y425 PolarHBondContact O-N 2.85Å; K421-L457 HydrophobicContact CD-CD1 4.38Å; K421-L457 HydrophobicContact CG-CD1 3.64Å; K421-L457 HydrophobicContact CG-CD2 4.19Å
422	S	90.1	Very high	83	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-66.6	-38.1	178.8	178.5	0	0	0	0	112.3	V321 E347 S418 V419 W424 Y425 K426	V321-S422 WeakPolarHBondContact CG1-OG 3.45Å; E347-S422 PolarHBondContact OE1-OG 3.18Å; E347-S422 WeakPolarHBondContact OE2-CA 3.47Å; E347-S422 WeakPolarHBondContact OE2-CB 3.5Å; E347-S422 PolarHBondContact OE2-OG 3.49Å; S418-S422 WeakPolarHBondContact O-CB 3.2Å; S418-S422 PolarHBondContact O-N 3.37Å; V419-S422 PolarHBondContact O-N 3.16Å; S422-W424 VanDerWaalsContact C-N 3.25Å; S422-W424 PolarHBondContact O-N 3.36Å; S422-Y425 PolarHBondContact O-N 3.01Å; S422-K426 WeakPolarHBondContact O-CB 3.5Å; S422-K426 WeakPolarHBondContact O-CG 3.26Å; S422-K426 PolarHBondContact O-N 3.5Å; S422-K426 WeakPolarHBondContact OG-CE 3.4Å
423	V	87.1	Confident	82.4	Confident	4 Å²	4	40.3 Å²	40.3	2%	0.024	21%	0.21	C	C	.	.	H	α-helix	trans	-55	-46.1	171.5	167.4	0	0	0	0	110.2	F399 V419 L420 K426 Y427 L436 I439 F473	F399-V423 HydrophobicContact CD1-CG2 4.49Å; F399-V423 HydrophobicContact CE1-CB 4.43Å; F399-V423 HydrophobicContact CE1-CG2 3.51Å; F399-V423 HydrophobicContact CZ-CG2 3.95Å; V419-V423 HydrophobicContact CG1-CG2 4.28Å; V419-V423 WeakPolarHBondContact O-CB 3.34Å; V419-V423 WeakPolarHBondContact O-CG2 3.32Å; V419-V423 PolarHBondContact O-N 2.94Å; L420-V423 PolarHBondContact O-N 3.44Å; V423-K426 PolarHBondContact O-N 2.9Å; V423-Y427 VanDerWaalsContact O-CB 3.23Å; V423-Y427 WeakPolarHBondContact O-CB 3.26Å; V423-Y427 PolarHBondContact O-N 2.91Å; V423-L436 HydrophobicContact CG2-CD2 3.86Å; V423-I439 HydrophobicContact CG1-CD1 4.12Å; V423-I439 HydrophobicContact CG2-CD1 4.05Å; V423-F473 HydrophobicContact CG1-CE1 3.48Å; V423-F473 VanDerWaalsContact CG1-CE1 3.48Å; V423-F473 HydrophobicContact CG1-CZ 3.73Å
424	W	83.5	Confident	82	Confident	40 Å²	40	42.1 Å²	42.1	15%	0.152	22%	0.219	C	C	.	.	H	α-helix	trans	-60.6	-49.7	176	168.8	-109.7	0	0	0	112.9	L420 K421 S422 K426 Y427 C428 L461 Q464	L420-W424 PolarHBondContact O-N 3.48Å; L420-W424 VanDerWaalsContact O-N 3.09Å; K421-W424 WeakPolarHBondContact O-CB 3.28Å; K421-W424 PolarHBondContact O-N 2.98Å; S422-W424 VanDerWaalsContact C-N 3.25Å; S422-W424 PolarHBondContact O-N 3.36Å; W424-K426 PolarHBondContact O-N 2.95Å; W424-Y427 PolarHBondContact O-N 3.04Å; W424-C428 WeakPolarHBondContact CH2-SG 3.16Å; W424-C428 WeakPolarHBondContact CZ2-SG 3.43Å; W424-C428 PolarHBondContact O-N 3.06Å; W424-C428 PolarHBondContact O-SG 3.44Å; W424-C428 VanDerWaalsContact O-SG 3.34Å; W424-L461 HydrophobicContact CB-CD2 3.55Å; W424-L461 HydrophobicContact CD2-CD2 4.46Å; W424-L461 HydrophobicContact CG-CD2 3.96Å; W424-Q464 HydrophobicContact CE3-CB 4.25Å; W424-Q464 HydrophobicContact CH2-CB 3.44Å; W424-Q464 VanDerWaalsContact CH2-CB 3.44Å; W424-Q464 HydrophobicContact CH2-CG 3.94Å; W424-Q464 HydrophobicContact CZ2-CB 3.82Å; W424-Q464 VanDerWaalsContact CZ2-CD 3.45Å; W424-Q464 HydrophobicContact CZ2-CG 3.84Å; W424-Q464 HydrophobicContact CZ3-CB 3.66Å
425	Y	86.3	Confident	81.9	Confident	71 Å²	71	47.5 Å²	47.5	28%	0.278	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-45.4	178.9	-75.2	-65.7	0	0	0	112.3	A345 E347 E348 K421 S422 Y427 C428 H429	A345-Y425 HydrophobicContact CB-CD2 3.85Å; A345-Y425 HydrophobicContact CB-CE2 3.83Å; E347-Y425 HydrophobicContact CB-CD1 4.27Å; E347-Y425 HydrophobicContact CB-CD2 3.77Å; E347-Y425 HydrophobicContact CB-CE2 4.37Å; E347-Y425 HydrophobicContact CB-CG 3.73Å; E347-Y425 HydrophobicContact CG-CD2 4.32Å; E347-Y425 HydrophobicContact CG-CG 4.12Å; E348-Y425 HydrophobicContact CG-CE2 3.89Å; K421-Y425 WeakPolarHBondContact O-CD2 3.39Å; K421-Y425 PolarHBondContact O-N 2.85Å; S422-Y425 PolarHBondContact O-N 3.01Å; Y425-Y427 VanDerWaalsContact C-N 3.34Å; Y425-C428 PolarHBondContact O-N 3.44Å; Y425-H429 PolarHBondContact O-N 3.07Å; Y425-H429 PolarHBondContact O-ND1 3.31Å
426	K	84.3	Confident	81.9	Confident	60 Å²	60	47.7 Å²	47.7	26%	0.261	24%	0.243	S	C	.	.	H	α-helix	trans	-65.6	-38.3	178	-69.1	178.8	-177.5	178.9	0	111.9	E347 F399 S422 V423 W424 C428 H429 D430 L434	E347-K426 WeakPolarHBondContact OE1-CE 3.41Å; F399-K426 HydrophobicContact CD1-CD 4.42Å; F399-K426 HydrophobicContact CE1-CD 3.89Å; F399-K426 VanDerWaalsContact CE2-NZ 3.28Å; F399-K426 HydrophobicContact CZ-CD 3.98Å; S422-K426 WeakPolarHBondContact O-CB 3.5Å; S422-K426 WeakPolarHBondContact O-CG 3.26Å; S422-K426 PolarHBondContact O-N 3.5Å; S422-K426 WeakPolarHBondContact OG-CE 3.4Å; V423-K426 PolarHBondContact O-N 2.9Å; W424-K426 PolarHBondContact O-N 2.95Å; K426-C428 VanDerWaalsContact C-N 3.32Å; K426-H429 PolarHBondContact O-N 3.19Å; K426-D430 CarbonylContact O-C 3.41Å; K426-D430 WeakPolarHBondContact O-CA 3.17Å; K426-D430 PolarHBondContact O-N 3.31Å; K426-L434 HydrophobicContact CB-CD1 3.96Å; K426-L434 HydrophobicContact CB-CD2 3.98Å; K426-L434 HydrophobicContact CB-CG 4.4Å; K426-L434 HydrophobicContact CD-CD2 4.16Å
427	Y	78.6	Confident	81.8	Confident	39 Å²	39	53.6 Å²	53.6	15%	0.153	27%	0.268	C	S	.	.	H	α-helix	trans	-65.7	-37.2	174.7	-169.5	-98	0	0	0	111.7	V423 W424 Y425 A431 L434 R468 N470	V423-Y427 VanDerWaalsContact O-CB 3.23Å; V423-Y427 WeakPolarHBondContact O-CB 3.26Å; V423-Y427 PolarHBondContact O-N 2.91Å; W424-Y427 PolarHBondContact O-N 3.04Å; Y425-Y427 VanDerWaalsContact C-N 3.34Å; Y427-A431 HydrophobicContact CD2-CB 4.16Å; Y427-A431 HydrophobicContact CE2-CB 4.12Å; Y427-A431 WeakPolarHBondContact O-CB 3.26Å; Y427-L434 HydrophobicContact CD2-CD1 4.38Å; Y427-R468 HydrophobicContact CE1-CB 4.5Å; Y427-N470 PolarHBondContact OH-ND2 3.46Å
428	C	76.9	Confident	81.9	Confident	37 Å²	37	55 Å²	55	25%	0.25	27%	0.274	C	S	.	.	H	α-helix	trans	-66.4	-38.2	176.6	-75.5	0	0	0	0	113.6	W424 Y425 K426	W424-C428 WeakPolarHBondContact CH2-SG 3.16Å; W424-C428 WeakPolarHBondContact CZ2-SG 3.43Å; W424-C428 PolarHBondContact O-N 3.06Å; W424-C428 PolarHBondContact O-SG 3.44Å; W424-C428 VanDerWaalsContact O-SG 3.34Å; Y425-C428 PolarHBondContact O-N 3.44Å; K426-C428 VanDerWaalsContact C-N 3.32Å
429	H	76.4	Confident	81.9	Confident	159 Å²	159	55 Å²	55	74%	0.736	27%	0.274	S	S	*	.	H	α-helix	trans	-95.6	-31.1	-172.8	-68.3	83.4	0	0	0	113.8	Y425 K426	Y425-H429 PolarHBondContact O-N 3.07Å; Y425-H429 PolarHBondContact O-ND1 3.31Å; K426-H429 PolarHBondContact O-N 3.19Å
430	D	67.9	Low	82.1	Confident	79 Å²	79	55.6 Å²	55.6	42%	0.422	28%	0.277	S	S	.	.	H	α-helix	trans	-152	54.8	-170.7	-158.9	3.4	0	0	0	112.7	K426 T432 N433	K426-D430 CarbonylContact O-C 3.41Å; K426-D430 WeakPolarHBondContact O-CA 3.17Å; K426-D430 PolarHBondContact O-N 3.31Å; D430-T432 PolarHBondContact O-N 3.44Å; D430-N433 PolarHBondContact O-N 2.92Å; D430-N433 PolarHBondContact OD1-ND2 3.44Å; D430-N433 PolarHBondContact OD2-ND2 3.45Å
431	A	61.2	Low	82.3	Confident	49 Å²	49	55.4 Å²	55.4	41%	0.405	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.4	-175.8	0	0	0	0	0	114.7	Y427	Y427-A431 HydrophobicContact CD2-CB 4.16Å; Y427-A431 HydrophobicContact CE2-CB 4.12Å; Y427-A431 WeakPolarHBondContact O-CB 3.26Å
432	T	60.1	Low	82.4	Confident	128 Å²	128	53.6 Å²	53.6	79%	0.785	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-18.3	-170.9	58.7	0	0	0	0	114.8	D430	D430-T432 PolarHBondContact O-N 3.44Å
433	N	70	Confident	82.5	Confident	123 Å²	123	53.7 Å²	53.7	66%	0.658	27%	0.268	S	S	*	.	S	Bend	trans	-107.6	1.1	-174.7	-73.3	-42.4	0	0	0	114.5	D430 K435	D430-N433 PolarHBondContact O-N 2.92Å; D430-N433 PolarHBondContact OD1-ND2 3.44Å; D430-N433 PolarHBondContact OD2-ND2 3.45Å; N433-K435 PolarHBondContact O-N 3.44Å
434	L	78.8	Confident	82.7	Confident	39 Å²	39	54.3 Å²	54.3	20%	0.204	27%	0.271	C	S	.	.			trans	-76.1	119.8	179.8	-77.3	169.3	0	0	0	111.2	F399 K426 Y427 L436	F399-L434 HydrophobicContact CD1-CD2 4.4Å; K426-L434 HydrophobicContact CB-CD1 3.96Å; K426-L434 HydrophobicContact CB-CD2 3.98Å; K426-L434 HydrophobicContact CB-CG 4.4Å; K426-L434 HydrophobicContact CD-CD2 4.16Å; Y427-L434 HydrophobicContact CD2-CD1 4.38Å; L434-L436 VanDerWaalsContact C-N 3.29Å; L434-L436 PolarHBondContact O-N 3.37Å
435	K	86.9	Confident	82.8	Confident	125 Å²	125	52.5 Å²	52.5	54%	0.543	27%	0.265	S	S	.	.	S	Bend	trans	-65.6	-34.2	172.3	-173.7	176.4	179.6	-171.5	0	112.2	S400 E402 N433 K437	S400-K435 WeakPolarHBondContact O-CD 3.28Å; S400-K435 VanDerWaalsContact O-CE 3.29Å; S400-K435 WeakPolarHBondContact O-CE 3.42Å; S400-K435 PolarHBondContact O-NZ 3.12Å; E402-K435 WeakPolarHBondContact CA-O 3.46Å; N433-K435 PolarHBondContact O-N 3.44Å; K435-K437 PolarHBondContact O-N 3.29Å
436	L	89.2	Confident	82.6	Confident	4 Å²	4	58.9 Å²	58.9	2%	0.021	29%	0.288	C	S	.	.			trans	-71.8	121	180	-178	67.5	0	0	0	110.4	V398 F399 Y401 V404 V423 L434 I439 F473	V398-L436 HydrophobicContact CG1-CD2 4.25Å; F399-L436 HydrophobicContact CD1-CD2 4.37Å; Y401-L436 VanDerWaalsContact O-CA 3.3Å; Y401-L436 WeakPolarHBondContact O-CA 3.23Å; V404-L436 HydrophobicContact CB-CD1 4.36Å; V404-L436 HydrophobicContact CG1-CD1 3.82Å; V404-L436 HydrophobicContact CG2-CD1 3.8Å; V423-L436 HydrophobicContact CG2-CD2 3.86Å; L434-L436 VanDerWaalsContact C-N 3.29Å; L434-L436 PolarHBondContact O-N 3.37Å; L436-I439 HydrophobicContact CD1-CG1 4.35Å; L436-I439 HydrophobicContact CD2-CD1 3.87Å; L436-I439 HydrophobicContact CD2-CG1 4Å; L436-I439 HydrophobicContact CG-CG1 4.34Å; L436-F473 HydrophobicContact CD2-CZ 4.32Å; L436-F473 HydrophobicContact CG-CZ 4.2Å; L436-F473 WeakPolarHBondContact O-CE2 3.19Å
437	K	87.9	Confident	82.2	Confident	124 Å²	124	58.7 Å²	58.7	54%	0.539	29%	0.29	S	S	.	.			trans	-117.1	-24.4	-176.6	-62.7	-173.4	-166.6	164.1	0	114.1	E402 K435 F473	E402-K437 HydrophobicContact CG-CB 4.14Å; E402-K437 HydrophobicContact CG-CD 3.88Å; E402-K437 HydrophobicContact CG-CG 3.98Å; E402-K437 PolarHBondContact O-N 2.74Å; E402-K437 VanDerWaalsContact OE1-CD 3.25Å; E402-K437 WeakPolarHBondContact OE1-CD 3.37Å; E402-K437 WeakPolarHBondContact OE1-CE 3.48Å; E402-K437 IonicContact OE1-NZ 3.87Å; E402-K437 PolarHBondContact OE1-NZ 3.05Å; K435-K437 PolarHBondContact O-N 3.29Å; K437-F473 WeakPolarHBondContact O-CD2 3.3Å; K437-F473 WeakPolarHBondContact O-CE2 3.43Å
438	K	91.4	Very high	81.8	Confident	30 Å²	30	58.2 Å²	58.2	13%	0.13	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	133.5	-176.6	-174.9	72.3	179.8	-171.7	0	112	E402 T403 V404 Y440 E472 S475	E402-K438 PolarHBondContact O-N 3.43Å; T403-K438 WeakPolarHBondContact CA-O 3.35Å; T403-K438 HydrophobicContact CG2-CB 4.18Å; T403-K438 HydrophobicContact CG2-CG 4.34Å; V404-K438 PolarHBondContact N-O 2.94Å; K438-Y440 HydrophobicContact CD-CE2 4.49Å; K438-Y440 HydrophobicContact CG-CD2 4.18Å; K438-Y440 HydrophobicContact CG-CE2 3.56Å; K438-E472 WeakPolarHBondContact CD-O 3.36Å; K438-E472 WeakPolarHBondContact CE-O 3.5Å; K438-E472 PolarHBondContact NZ-O 3.1Å; K438-S475 PolarHBondContact NZ-OG 3.09Å
439	I	93	Very high	81.4	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.5	174.7	-56.4	-178.4	0	0	0	109.4	V404 L406 L420 V423 L436 F441 F473 L474 S475	V404-I439 HydrophobicContact CG2-CB 4.24Å; V404-I439 HydrophobicContact CG2-CG1 3.87Å; V404-I439 HydrophobicContact CG2-CG2 4.1Å; L406-I439 HydrophobicContact CD1-CG2 3.72Å; L406-I439 HydrophobicContact CG-CG2 4.02Å; L420-I439 HydrophobicContact CD2-CD1 4.01Å; L420-I439 HydrophobicContact CD2-CG2 4.37Å; V423-I439 HydrophobicContact CG1-CD1 4.12Å; V423-I439 HydrophobicContact CG2-CD1 4.05Å; L436-I439 HydrophobicContact CD1-CG1 4.35Å; L436-I439 HydrophobicContact CD2-CD1 3.87Å; L436-I439 HydrophobicContact CD2-CG1 4Å; L436-I439 HydrophobicContact CG-CG1 4.34Å; I439-F441 HydrophobicContact CG2-CB 4.36Å; I439-F473 HydrophobicContact CD1-CD1 4.49Å; I439-F473 HydrophobicContact CD1-CE1 3.64Å; I439-F473 HydrophobicContact CD1-CZ 4.33Å; I439-F473 HydrophobicContact CG1-CE1 3.85Å; I439-F473 HydrophobicContact CG1-CZ 4.39Å; I439-F473 PolarHBondContact N-O 3.33Å; I439-L474 HydrophobicContact CB-CD1 3.79Å; I439-L474 HydrophobicContact CG2-CD1 3.61Å; I439-S475 PolarHBondContact O-N 3.05Å
440	Y	94.6	Very high	81	Confident	14 Å²	14	54 Å²	54	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	109.2	164.1	-61.9	-91.1	0	0	0	108.6	T403 V404 M405 L406 K438 S475 I523 Q526 H527	T403-Y440 HydrophobicContact CG2-CD2 3.96Å; T403-Y440 HydrophobicContact CG2-CE2 3.65Å; V404-Y440 PolarHBondContact O-N 3.49Å; M405-Y440 CarbonylContact C-O 3.52Å; M405-Y440 VanDerWaalsContact CA-O 3.29Å; M405-Y440 WeakPolarHBondContact CA-O 3.47Å; L406-Y440 PolarHBondContact N-O 2.67Å; K438-Y440 HydrophobicContact CD-CE2 4.49Å; K438-Y440 HydrophobicContact CG-CD2 4.18Å; K438-Y440 HydrophobicContact CG-CE2 3.56Å; Y440-S475 CarbonylContact C-O 3.6Å; Y440-S475 WeakPolarHBondContact CA-O 3.27Å; Y440-I523 HydrophobicContact CD1-CD1 4Å; Y440-I523 HydrophobicContact CD1-CG1 4.18Å; Y440-I523 HydrophobicContact CD2-CD1 4.1Å; Y440-I523 HydrophobicContact CD2-CG1 4.37Å; Y440-I523 HydrophobicContact CE1-CD1 4.34Å; Y440-I523 HydrophobicContact CE1-CG1 4.01Å; Y440-I523 HydrophobicContact CE2-CD1 4.44Å; Y440-I523 HydrophobicContact CE2-CG1 4.22Å; Y440-I523 HydrophobicContact CE2-CG2 4.22Å; Y440-I523 HydrophobicContact CG-CD1 3.87Å; Y440-I523 HydrophobicContact CG-CG1 4.36Å; Y440-Q526 PolarHBondContact OH-OE1 3.35Å; Y440-H527 AromaticContact CE2-NE2 3.58Å; Y440-H527 AromaticContact CZ-NE2 3.66Å; Y440-H527 PolarHBondContact OH-NE2 2.86Å
441	F	93.6	Very high	80.9	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	123.7	-177.8	177.6	-100.2	0	0	0	110.1	L406 V413 F416 L420 I439 W443 F454 L458 L474 S475 Y476 N477	L406-F441 HydrophobicContact CB-CD2 3.88Å; L406-F441 HydrophobicContact CD1-CD2 4.45Å; L406-F441 CarbonylContact O-C 3.58Å; L406-F441 WeakPolarHBondContact O-CA 3.34Å; V413-F441 HydrophobicContact CG2-CE2 4.04Å; V413-F441 HydrophobicContact CG2-CZ 3.5Å; F416-F441 HydrophobicContact CB-CD2 4.44Å; F416-F441 HydrophobicContact CB-CE2 3.82Å; F416-F441 HydrophobicContact CD2-CE2 4.19Å; F416-F441 HydrophobicContact CG-CE2 4.27Å; L420-F441 HydrophobicContact CD1-CD2 4.29Å; L420-F441 HydrophobicContact CD1-CE2 4.36Å; I439-F441 HydrophobicContact CG2-CB 4.36Å; F441-W443 HydrophobicContact CE1-CB 3.69Å; F441-W443 HydrophobicContact CE1-CG 4.45Å; F441-W443 HydrophobicContact CZ-CB 3.94Å; F441-W443 HydrophobicContact CZ-CG 4.38Å; F441-F454 HydrophobicContact CE1-CD1 4.47Å; F441-F454 AromaticContact CE1-CE1 3.55Å; F441-F454 HydrophobicContact CE1-CE1 3.55Å; F441-F454 HydrophobicContact CE1-CZ 4.21Å; F441-F454 HydrophobicContact CE2-CE1 4.22Å; F441-F454 HydrophobicContact CE2-CZ 4.07Å; F441-F454 HydrophobicContact CZ-CD1 4.32Å; F441-F454 AromaticContact CZ-CE1 3.27Å; F441-F454 HydrophobicContact CZ-CE1 3.27Å; F441-F454 AromaticContact CZ-CZ 3.54Å; F441-F454 HydrophobicContact CZ-CZ 3.54Å; F441-L458 HydrophobicContact CD1-CD2 4.35Å; F441-L458 HydrophobicContact CE1-CD1 4.16Å; F441-L458 HydrophobicContact CE1-CD2 4.28Å; F441-L474 HydrophobicContact CB-CD1 4.07Å; F441-S475 PolarHBondContact N-O 3.34Å; F441-Y476 CarbonylContact O-C 3.6Å; F441-Y476 WeakPolarHBondContact O-CA 3.31Å; F441-N477 PolarHBondContact O-N 3.14Å
442	Y	93.6	Very high	81.3	Confident	1 Å²	1	51.9 Å²	51.9	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	120.6	178.2	-63.7	-94.8	0	0	0	108.9	M405 L406 V407 G408 N477 Y479 W516 E519	M405-Y442 HydrophobicContact CE-CE2 3.93Å; L406-Y442 PolarHBondContact O-N 3.26Å; V407-Y442 CarbonylContact C-O 3.57Å; V407-Y442 WeakPolarHBondContact CA-O 3.39Å; V407-Y442 HydrophobicContact CG2-CD2 4.23Å; G408-Y442 PolarHBondContact N-O 2.91Å; Y442-N477 WeakPolarHBondContact CA-O 3.48Å; Y442-N477 HydrophobicContact CD1-CB 3.88Å; Y442-N477 HydrophobicContact CE1-CB 4.08Å; Y442-N477 WeakPolarHBondContact CE1-ND2 3.49Å; Y442-Y479 AromaticContact CD1-CE2 3.92Å; Y442-Y479 HydrophobicContact CD1-CE2 3.92Å; Y442-Y479 HydrophobicContact CE1-CE2 4.47Å; Y442-W516 HydrophobicContact CD1-CH2 4.14Å; Y442-W516 AromaticContact CD1-CZ3 3.94Å; Y442-W516 HydrophobicContact CD1-CZ3 3.94Å; Y442-W516 HydrophobicContact CD2-CZ3 4.19Å; Y442-W516 HydrophobicContact CE1-CZ3 4.28Å; Y442-W516 HydrophobicContact CE2-CZ3 4.48Å; Y442-W516 AromaticContact CG-CH2 3.96Å; Y442-W516 HydrophobicContact CG-CH2 3.96Å; Y442-W516 AromaticContact CG-CZ3 3.91Å; Y442-W516 HydrophobicContact CG-CZ3 3.91Å; Y442-E519 HydrophobicContact CE1-CG 4.08Å; Y442-E519 WeakPolarHBondContact CE1-OE2 3.43Å; Y442-E519 PolarHBondContact OH-OE2 2.93Å
443	W	91.1	Very high	81.9	Confident	1 Å²	1	47.1 Å²	47.1	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	116	177.2	-170.8	20.4	0	0	0	111.4	G408 G410 V413 F441 C445 A450 F451 F454 N477 I478 Y479	G408-W443 WeakPolarHBondContact O-CA 2.94Å; G410-W443 PolarHBondContact O-NE1 3.4Å; V413-W443 HydrophobicContact CB-CZ2 4.39Å; V413-W443 HydrophobicContact CG1-CZ2 3.86Å; V413-W443 HydrophobicContact CG2-CD2 4.12Å; V413-W443 HydrophobicContact CG2-CG 4.13Å; F441-W443 HydrophobicContact CE1-CB 3.69Å; F441-W443 HydrophobicContact CE1-CG 4.45Å; F441-W443 HydrophobicContact CZ-CB 3.94Å; F441-W443 HydrophobicContact CZ-CG 4.38Å; W443-C445 PolarHBondContact NE1-SG 3.44Å; W443-A450 WeakPolarHBondContact CH2-O 3.42Å; W443-A450 VanDerWaalsContact CZ2-O 3.31Å; W443-A450 WeakPolarHBondContact CZ2-O 3.08Å; W443-F451 AromaticContact CD2-CD1 3.94Å; W443-F451 HydrophobicContact CD2-CD1 3.94Å; W443-F451 HydrophobicContact CD2-CE1 4.03Å; W443-F451 AromaticContact CE3-CD1 3.59Å; W443-F451 HydrophobicContact CE3-CD1 3.59Å; W443-F451 HydrophobicContact CE3-CE1 4.04Å; W443-F451 VanDerWaalsContact CH2-CA 3.41Å; W443-F451 HydrophobicContact CH2-CB 4.26Å; W443-F451 AromaticContact CH2-CD1 3.69Å; W443-F451 HydrophobicContact CH2-CD1 3.69Å; W443-F451 HydrophobicContact CH2-CG 4.44Å; W443-F451 AromaticContact CZ2-CD1 3.99Å; W443-F451 HydrophobicContact CZ2-CD1 3.99Å; W443-F451 HydrophobicContact CZ3-CB 4.2Å; W443-F451 AromaticContact CZ3-CD1 3.47Å; W443-F451 HydrophobicContact CZ3-CD1 3.47Å; W443-F451 VanDerWaalsContact CZ3-CD1 3.47Å; W443-F451 HydrophobicContact CZ3-CE1 4.35Å; W443-F451 HydrophobicContact CZ3-CG 4.31Å; W443-F454 HydrophobicContact CD2-CD1 4.44Å; W443-F454 AromaticContact CE3-CD1 3.76Å; W443-F454 HydrophobicContact CE3-CD1 3.76Å; W443-F454 HydrophobicContact CE3-CE1 4.44Å; W443-F454 HydrophobicContact CE3-CG 4.49Å; W443-F454 HydrophobicContact CH2-CB 3.37Å; W443-F454 HydrophobicContact CH2-CD1 4.08Å; W443-F454 HydrophobicContact CH2-CG 4.02Å; W443-F454 HydrophobicContact CZ2-CB 4.25Å; W443-F454 HydrophobicContact CZ3-CB 3.57Å; W443-F454 AromaticContact CZ3-CD1 3.53Å; W443-F454 HydrophobicContact CZ3-CD1 3.53Å; W443-F454 AromaticContact CZ3-CG 3.93Å; W443-F454 HydrophobicContact CZ3-CG 3.93Å; W443-N477 PolarHBondContact N-O 3.03Å; W443-I478 CarbonylContact O-C 3.59Å; W443-I478 WeakPolarHBondContact O-CA 3.17Å; W443-Y479 PolarHBondContact O-N 2.89Å
444	L	90.6	Very high	82.2	Confident	17 Å²	17	41.3 Å²	41.3	9%	0.089	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	118.2	-179	-66	79.9	0	0	0	109.8	V407 G408 A409 G410 Y479 T481 P514 W516 L542	V407-L444 HydrophobicContact CG1-CD1 3.82Å; G408-L444 PolarHBondContact O-N 3.41Å; A409-L444 CarbonylContact C-O 3.54Å; A409-L444 VanDerWaalsContact CA-O 3.29Å; A409-L444 WeakPolarHBondContact CA-O 3.37Å; G410-L444 PolarHBondContact N-O 2.93Å; L444-Y479 WeakPolarHBondContact CA-O 3.35Å; L444-T481 HydrophobicContact CB-CG2 4.44Å; L444-T481 HydrophobicContact CD2-CG2 4.43Å; L444-P514 HydrophobicContact CD1-CG 4.33Å; L444-P514 HydrophobicContact CD2-CG 3.94Å; L444-P514 HydrophobicContact CG-CG 4.21Å; L444-W516 HydrophobicContact CD1-CH2 4.11Å; L444-W516 HydrophobicContact CD1-CZ2 3.97Å; L444-W516 HydrophobicContact CD2-CZ2 4.14Å; L444-L542 HydrophobicContact CD2-CD2 4.37Å
445	C	86.2	Confident	82.2	Confident	3 Å²	3	39.6 Å²	39.6	2%	0.02	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	160.1	173.4	-76.6	0	0	0	0	111.4	W443 A450 F451 Y479 T481	W443-C445 PolarHBondContact NE1-SG 3.44Å; C445-A450 HydrophobicContact CB-CB 4.36Å; C445-F451 HydrophobicContact CB-CD1 4.24Å; C445-F451 HydrophobicContact CB-CE1 3.44Å; C445-F451 VanDerWaalsContact CB-CE1 3.44Å; C445-F451 HydrophobicContact CB-CE2 4.24Å; C445-F451 HydrophobicContact CB-CZ 3.46Å; C445-F451 VanDerWaalsContact CB-CZ 3.46Å; C445-Y479 PolarHBondContact N-O 3.4Å; C445-T481 PolarHBondContact O-N 2.85Å; C445-T481 PolarHBondContact O-OG1 3.49Å
446	R	82.3	Confident	81.8	Confident	205 Å²	205	39 Å²	39	77%	0.774	18%	0.18	S	C	*	.	S	Bend	trans	-99.6	-15.6	173.8	-73.8	-174.8	66.8	142.8	3.3	113.1	T481	R446-T481 VanDerWaalsContact CG-OG1 3.27Å; R446-T481 WeakPolarHBondContact CG-OG1 3.28Å
447	D	76.6	Confident	81.4	Confident	56 Å²	56	40.2 Å²	40.2	30%	0.299	19%	0.186	S	C	.	.			trans	-131.2	139.9	-172.7	-162.4	-43.8	0	0	0	108.1	F305 H449 A450	F305-D447 HydrophobicContact CE2-CB 4.08Å; F305-D447 WeakPolarHBondContact CE2-OD2 3.43Å; F305-D447 HydrophobicContact CZ-CB 3.97Å; D447-H449 IonicContact OD1-CG 2.89Å; D447-H449 PolarHBondContact OD1-N 3Å; D447-H449 VanDerWaalsContact OD1-N 3.08Å; D447-H449 IonicContact OD1-ND1 3.96Å; D447-H449 PolarHBondContact OD1-ND1 3.13Å; D447-A450 WeakPolarHBondContact O-CB 3.28Å
448	T	69.8	Low	81.2	Confident	28 Å²	28	34.3 Å²	34.3	17%	0.172	16%	0.161	C	C	.	.	S	Bend	trans	-71.4	-33.9	-178.7	48.6	0	0	0	0	112.1	A450 F451 L480 I502	T448-A450 PolarHBondContact O-N 3.24Å; T448-F451 WeakPolarHBondContact O-CB 3.38Å; T448-F451 VanDerWaalsContact O-CD2 3.22Å; T448-F451 WeakPolarHBondContact O-CD2 3.43Å; T448-F451 PolarHBondContact O-N 3.46Å; T448-F451 VanDerWaalsContact O-N 3.08Å; T448-L480 HydrophobicContact CG2-CD1 4.03Å; T448-L480 HydrophobicContact CG2-CD2 3.68Å; T448-I502 HydrophobicContact CG2-CD1 4.16Å; T448-I502 HydrophobicContact CG2-CG2 4.14Å
449	H	69.2	Low	80.8	Confident	96 Å²	96	36.1 Å²	36.1	44%	0.444	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-70.7	-17.1	-179.4	-56	90.1	0	0	0	113	F305 D447 F451 E452	F305-H449 HydrophobicContact CB-CB 4.1Å; F305-H449 HydrophobicContact CD2-CB 3.95Å; F305-H449 HydrophobicContact CG-CB 4.3Å; D447-H449 IonicContact OD1-CG 2.89Å; D447-H449 PolarHBondContact OD1-N 3Å; D447-H449 VanDerWaalsContact OD1-N 3.08Å; D447-H449 IonicContact OD1-ND1 3.96Å; D447-H449 PolarHBondContact OD1-ND1 3.13Å; H449-F451 PolarHBondContact O-N 2.86Å; H449-E452 IonicContact CD2-OE1 2.64Å
450	A	66.9	Low	80.3	Confident	12 Å²	12	38.6 Å²	38.6	10%	0.099	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-67.3	-17.3	173.7	0	0	0	0	0	112.3	F305 W443 C445 D447 T448	F305-A450 HydrophobicContact CD1-CB 4.12Å; F305-A450 HydrophobicContact CE1-CB 4.09Å; W443-A450 WeakPolarHBondContact CH2-O 3.42Å; W443-A450 VanDerWaalsContact CZ2-O 3.31Å; W443-A450 WeakPolarHBondContact CZ2-O 3.08Å; C445-A450 HydrophobicContact CB-CB 4.36Å; D447-A450 WeakPolarHBondContact O-CB 3.28Å; T448-A450 PolarHBondContact O-N 3.24Å
451	F	66.1	Low	79.6	Confident	2 Å²	2	38.3 Å²	38.3	1%	0.009	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-79.8	-27.1	-176.3	-62.3	-55.4	0	0	0	114.4	W443 C445 T448 H449 W453 F454 A455 I478 L480 I502 T503	W443-F451 AromaticContact CD2-CD1 3.94Å; W443-F451 HydrophobicContact CD2-CD1 3.94Å; W443-F451 HydrophobicContact CD2-CE1 4.03Å; W443-F451 AromaticContact CE3-CD1 3.59Å; W443-F451 HydrophobicContact CE3-CD1 3.59Å; W443-F451 HydrophobicContact CE3-CE1 4.04Å; W443-F451 VanDerWaalsContact CH2-CA 3.41Å; W443-F451 HydrophobicContact CH2-CB 4.26Å; W443-F451 AromaticContact CH2-CD1 3.69Å; W443-F451 HydrophobicContact CH2-CD1 3.69Å; W443-F451 HydrophobicContact CH2-CG 4.44Å; W443-F451 AromaticContact CZ2-CD1 3.99Å; W443-F451 HydrophobicContact CZ2-CD1 3.99Å; W443-F451 HydrophobicContact CZ3-CB 4.2Å; W443-F451 AromaticContact CZ3-CD1 3.47Å; W443-F451 HydrophobicContact CZ3-CD1 3.47Å; W443-F451 VanDerWaalsContact CZ3-CD1 3.47Å; W443-F451 HydrophobicContact CZ3-CE1 4.35Å; W443-F451 HydrophobicContact CZ3-CG 4.31Å; C445-F451 HydrophobicContact CB-CD1 4.24Å; C445-F451 HydrophobicContact CB-CE1 3.44Å; C445-F451 VanDerWaalsContact CB-CE1 3.44Å; C445-F451 HydrophobicContact CB-CE2 4.24Å; C445-F451 HydrophobicContact CB-CZ 3.46Å; C445-F451 VanDerWaalsContact CB-CZ 3.46Å; T448-F451 WeakPolarHBondContact O-CB 3.38Å; T448-F451 VanDerWaalsContact O-CD2 3.22Å; T448-F451 WeakPolarHBondContact O-CD2 3.43Å; T448-F451 PolarHBondContact O-N 3.46Å; T448-F451 VanDerWaalsContact O-N 3.08Å; H449-F451 PolarHBondContact O-N 2.86Å; F451-W453 PolarHBondContact O-N 3.21Å; F451-F454 PolarHBondContact O-N 3.28Å; F451-A455 VanDerWaalsContact O-CB 3.23Å; F451-A455 WeakPolarHBondContact O-CB 3.41Å; F451-A455 PolarHBondContact O-N 2.61Å; F451-I478 HydrophobicContact CD1-CG2 3.79Å; F451-I478 HydrophobicContact CE1-CG2 3.23Å; F451-I478 HydrophobicContact CE2-CG2 4.2Å; F451-I478 HydrophobicContact CG-CG2 4.48Å; F451-I478 HydrophobicContact CZ-CG2 3.46Å; F451-I478 VanDerWaalsContact CZ-CG2 3.46Å; F451-L480 HydrophobicContact CE2-CD1 4.01Å; F451-L480 HydrophobicContact CZ-CD1 4.44Å; F451-I502 HydrophobicContact CD2-CG2 4.17Å; F451-T503 HydrophobicContact CB-CG2 3.98Å; F451-T503 HydrophobicContact CD2-CG2 4.42Å; F451-T503 HydrophobicContact CG-CG2 4.24Å
452	E	70.1	Confident	79	Confident	82 Å²	82	39.7 Å²	39.7	38%	0.383	19%	0.193	S	C	.	.	H	α-helix	trans	-58.8	-53	-164.4	-68	173	-158	0	0	113.4	P304 H449 F454 A455	P304-E452 HydrophobicContact CB-CB 4.46Å; P304-E452 WeakPolarHBondContact CB-OE2 3.3Å; P304-E452 HydrophobicContact CG-CB 4.32Å; P304-E452 WeakPolarHBondContact CG-OE2 3.44Å; H449-E452 IonicContact CD2-OE1 2.64Å; E452-F454 VanDerWaalsContact C-N 3.3Å; E452-F454 PolarHBondContact O-N 3.02Å; E452-A455 PolarHBondContact O-N 2.99Å
453	W	71.5	Confident	78.5	Confident	28 Å²	28	42.9 Å²	42.9	11%	0.106	21%	0.212	C	C	.	.	H	α-helix	trans	-66.5	-27.7	-174.6	76.9	-86.9	0	0	0	114.6	H303 H354 V413 T414 A417 F451	H303-W453 HydrophobicContact CB-CB 4.16Å; H303-W453 WeakPolarHBondContact ND1-CB 3.1Å; H354-W453 AromaticContact CD2-CD2 3.98Å; H354-W453 AromaticContact CD2-CE3 3.64Å; H354-W453 AromaticContact CD2-CZ3 3.76Å; H354-W453 AromaticContact CE1-CZ3 3.96Å; H354-W453 AromaticContact NE2-CE3 3.45Å; H354-W453 AromaticContact NE2-CZ3 3.58Å; V413-W453 HydrophobicContact CG1-CH2 4.22Å; V413-W453 HydrophobicContact CG1-CZ2 3.59Å; T414-W453 HydrophobicContact CG2-CH2 4.1Å; T414-W453 HydrophobicContact CG2-CZ2 4.09Å; A417-W453 HydrophobicContact CB-CH2 4.27Å; A417-W453 HydrophobicContact CB-CZ3 4.38Å; F451-W453 PolarHBondContact O-N 3.21Å
454	F	77.8	Confident	77.9	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-98	-22.6	-176.6	-169.1	-92.5	0	0	0	111.9	V413 A417 L420 F441 W443 F451 E452 D456 L457 L458	V413-F454 HydrophobicContact CG1-CD2 4.19Å; V413-F454 HydrophobicContact CG1-CG 4.45Å; V413-F454 HydrophobicContact CG2-CD1 4.06Å; V413-F454 HydrophobicContact CG2-CD2 4Å; V413-F454 HydrophobicContact CG2-CE1 3.75Å; V413-F454 HydrophobicContact CG2-CE2 3.65Å; V413-F454 HydrophobicContact CG2-CG 4.18Å; V413-F454 HydrophobicContact CG2-CZ 3.52Å; A417-F454 HydrophobicContact CB-CD2 4.2Å; A417-F454 HydrophobicContact CB-CE2 3.68Å; L420-F454 HydrophobicContact CD1-CE1 4.45Å; L420-F454 HydrophobicContact CD1-CZ 3.86Å; F441-F454 HydrophobicContact CE1-CD1 4.47Å; F441-F454 AromaticContact CE1-CE1 3.55Å; F441-F454 HydrophobicContact CE1-CE1 3.55Å; F441-F454 HydrophobicContact CE1-CZ 4.21Å; F441-F454 HydrophobicContact CE2-CE1 4.22Å; F441-F454 HydrophobicContact CE2-CZ 4.07Å; F441-F454 HydrophobicContact CZ-CD1 4.32Å; F441-F454 AromaticContact CZ-CE1 3.27Å; F441-F454 HydrophobicContact CZ-CE1 3.27Å; F441-F454 AromaticContact CZ-CZ 3.54Å; F441-F454 HydrophobicContact CZ-CZ 3.54Å; W443-F454 HydrophobicContact CD2-CD1 4.44Å; W443-F454 AromaticContact CE3-CD1 3.76Å; W443-F454 HydrophobicContact CE3-CD1 3.76Å; W443-F454 HydrophobicContact CE3-CE1 4.44Å; W443-F454 HydrophobicContact CE3-CG 4.49Å; W443-F454 HydrophobicContact CH2-CB 3.37Å; W443-F454 HydrophobicContact CH2-CD1 4.08Å; W443-F454 HydrophobicContact CH2-CG 4.02Å; W443-F454 HydrophobicContact CZ2-CB 4.25Å; W443-F454 HydrophobicContact CZ3-CB 3.57Å; W443-F454 AromaticContact CZ3-CD1 3.53Å; W443-F454 HydrophobicContact CZ3-CD1 3.53Å; W443-F454 AromaticContact CZ3-CG 3.93Å; W443-F454 HydrophobicContact CZ3-CG 3.93Å; F451-F454 PolarHBondContact O-N 3.28Å; E452-F454 VanDerWaalsContact C-N 3.3Å; E452-F454 PolarHBondContact O-N 3.02Å; F454-D456 VanDerWaalsContact C-N 3.27Å; F454-D456 PolarHBondContact O-N 3Å; F454-L457 HydrophobicContact CD2-CD2 4.21Å; F454-L457 HydrophobicContact CE2-CD2 3.92Å; F454-L457 HydrophobicContact CZ-CD2 4.44Å; F454-L457 WeakPolarHBondContact O-CB 3.34Å; F454-L457 PolarHBondContact O-N 3.45Å; F454-L458 HydrophobicContact CD1-CD1 3.77Å; F454-L458 HydrophobicContact CD1-CD2 4.47Å; F454-L458 HydrophobicContact CD1-CG 3.8Å; F454-L458 HydrophobicContact CE1-CD1 3.76Å; F454-L458 HydrophobicContact CE1-CD2 3.78Å; F454-L458 HydrophobicContact CE1-CG 3.62Å; F454-L458 PolarHBondContact O-N 3.28Å; F454-L458 VanDerWaalsContact O-N 3.08Å
455	A	77.8	Confident	77.3	Confident	4 Å²	4	44.7 Å²	44.7	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-41.8	173	0	0	0	0	0	111	F451 E452 L457 L458 Q459 L505	F451-A455 VanDerWaalsContact O-CB 3.23Å; F451-A455 WeakPolarHBondContact O-CB 3.41Å; F451-A455 PolarHBondContact O-N 2.61Å; E452-A455 PolarHBondContact O-N 2.99Å; A455-L457 VanDerWaalsContact C-N 3.3Å; A455-L457 PolarHBondContact O-N 3.13Å; A455-L458 PolarHBondContact O-N 3.46Å; A455-L458 VanDerWaalsContact O-N 3.12Å; A455-Q459 WeakPolarHBondContact O-CB 3.43Å; A455-Q459 PolarHBondContact O-N 3.33Å; A455-L505 HydrophobicContact CB-CD1 4.48Å
456	D	78.1	Confident	77	Confident	112 Å²	112	47.6 Å²	47.6	60%	0.599	23%	0.234	S	C	*	.	H	α-helix	trans	-57.3	-42.1	175.9	-69.1	-16.1	0	0	0	112.4	F454 Q459 S460	F454-D456 VanDerWaalsContact C-N 3.27Å; F454-D456 PolarHBondContact O-N 3Å; D456-Q459 PolarHBondContact O-N 3.23Å; D456-S460 WeakPolarHBondContact O-CB 3.48Å; D456-S460 PolarHBondContact O-N 2.74Å
457	L	82.2	Confident	77	Confident	29 Å²	29	44.9 Å²	44.9	15%	0.152	23%	0.23	C	C	.	.	H	α-helix	trans	-64.4	-45.4	176.3	175.9	63.2	0	0	0	111.2	A417 K421 F454 A455 S460 L461	A417-L457 HydrophobicContact CB-CD2 4.04Å; K421-L457 HydrophobicContact CD-CD1 4.38Å; K421-L457 HydrophobicContact CG-CD1 3.64Å; K421-L457 HydrophobicContact CG-CD2 4.19Å; F454-L457 HydrophobicContact CD2-CD2 4.21Å; F454-L457 HydrophobicContact CE2-CD2 3.92Å; F454-L457 HydrophobicContact CZ-CD2 4.44Å; F454-L457 WeakPolarHBondContact O-CB 3.34Å; F454-L457 PolarHBondContact O-N 3.45Å; A455-L457 VanDerWaalsContact C-N 3.3Å; A455-L457 PolarHBondContact O-N 3.13Å; L457-S460 PolarHBondContact O-N 3.33Å; L457-L461 HydrophobicContact CD1-CD1 4.09Å; L457-L461 HydrophobicContact CD1-CG 4.26Å; L457-L461 HydrophobicContact CG-CD1 4.03Å; L457-L461 WeakPolarHBondContact O-CB 3.31Å; L457-L461 VanDerWaalsContact O-CG 3.24Å; L457-L461 WeakPolarHBondContact O-CG 3.36Å; L457-L461 PolarHBondContact O-N 3.47Å
458	L	83.4	Confident	77	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.4	-41.2	177.8	-70.7	176.9	0	0	0	111.9	L420 F441 F454 A455 L461 E462 Y476 I478 L505	L420-L458 HydrophobicContact CD1-CD2 4.06Å; F441-L458 HydrophobicContact CD1-CD2 4.35Å; F441-L458 HydrophobicContact CE1-CD1 4.16Å; F441-L458 HydrophobicContact CE1-CD2 4.28Å; F454-L458 HydrophobicContact CD1-CD1 3.77Å; F454-L458 HydrophobicContact CD1-CD2 4.47Å; F454-L458 HydrophobicContact CD1-CG 3.8Å; F454-L458 HydrophobicContact CE1-CD1 3.76Å; F454-L458 HydrophobicContact CE1-CD2 3.78Å; F454-L458 HydrophobicContact CE1-CG 3.62Å; F454-L458 PolarHBondContact O-N 3.28Å; F454-L458 VanDerWaalsContact O-N 3.08Å; A455-L458 PolarHBondContact O-N 3.46Å; A455-L458 VanDerWaalsContact O-N 3.12Å; L458-L461 PolarHBondContact O-N 2.9Å; L458-E462 WeakPolarHBondContact O-CB 3.29Å; L458-E462 PolarHBondContact O-N 3.23Å; L458-Y476 HydrophobicContact CD1-CD2 4.29Å; L458-I478 HydrophobicContact CD1-CD1 4.18Å; L458-L505 HydrophobicContact CB-CD1 4.11Å; L458-L505 HydrophobicContact CB-CD2 4.01Å; L458-L505 HydrophobicContact CD1-CD1 4Å
459	Q	82	Confident	77.4	Confident	69 Å²	69	54.3 Å²	54.3	32%	0.322	27%	0.27	S	S	.	.	H	α-helix	trans	-65.4	-42.9	179.4	-166.9	179.2	50.4	0	0	111.3	A455 D456 E462 T463 G504 L505	A455-Q459 WeakPolarHBondContact O-CB 3.43Å; A455-Q459 PolarHBondContact O-N 3.33Å; D456-Q459 PolarHBondContact O-N 3.23Å; Q459-E462 PolarHBondContact O-N 3.08Å; Q459-T463 WeakPolarHBondContact O-CB 3.34Å; Q459-T463 PolarHBondContact O-N 3.36Å; Q459-T463 PolarHBondContact O-OG1 2.95Å; Q459-G504 PolarHBondContact NE2-O 3.21Å; Q459-G504 VanDerWaalsContact NE2-O 3.07Å; Q459-L505 HydrophobicContact CB-CD2 3.64Å; Q459-L505 HydrophobicContact CG-CD2 4.25Å
460	S	82.8	Confident	77.7	Confident	52 Å²	52	51.9 Å²	51.9	36%	0.364	26%	0.26	S	S	.	.	H	α-helix	trans	-60.4	-46.7	174.5	-179.8	0	0	0	0	111	D456 L457 Q464	D456-S460 WeakPolarHBondContact O-CB 3.48Å; D456-S460 PolarHBondContact O-N 2.74Å; L457-S460 PolarHBondContact O-N 3.33Å; S460-Q464 VanDerWaalsContact O-CB 3.24Å; S460-Q464 WeakPolarHBondContact O-CB 3.17Å; S460-Q464 WeakPolarHBondContact O-CG 3.49Å; S460-Q464 PolarHBondContact O-N 3.3Å; S460-Q464 VanDerWaalsContact O-N 3.11Å; S460-Q464 PolarHBondContact O-OE1 3.47Å; S460-Q464 PolarHBondContact OG-NE2 3.24Å
461	L	81.3	Confident	78	Confident	7 Å²	7	54 Å²	54	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-42.8	179.4	-72.5	170.7	0	0	0	111.9	L420 W424 L457 L458 Q464 M465 L474	L420-L461 HydrophobicContact CB-CD1 3.71Å; L420-L461 HydrophobicContact CD1-CD1 4.35Å; W424-L461 HydrophobicContact CB-CD2 3.55Å; W424-L461 HydrophobicContact CD2-CD2 4.46Å; W424-L461 HydrophobicContact CG-CD2 3.96Å; L457-L461 HydrophobicContact CD1-CD1 4.09Å; L457-L461 HydrophobicContact CD1-CG 4.26Å; L457-L461 HydrophobicContact CG-CD1 4.03Å; L457-L461 WeakPolarHBondContact O-CB 3.31Å; L457-L461 VanDerWaalsContact O-CG 3.24Å; L457-L461 WeakPolarHBondContact O-CG 3.36Å; L457-L461 PolarHBondContact O-N 3.47Å; L458-L461 PolarHBondContact O-N 2.9Å; L461-Q464 PolarHBondContact O-N 3.18Å; L461-M465 WeakPolarHBondContact O-CB 3.47Å; L461-M465 VanDerWaalsContact O-CG 3.23Å; L461-M465 WeakPolarHBondContact O-CG 3.32Å; L461-M465 PolarHBondContact O-N 3.06Å; L461-L474 HydrophobicContact CB-CD2 4.44Å
462	E	80.8	Confident	78.7	Confident	29 Å²	29	61.4 Å²	61.4	14%	0.136	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-50.8	178.7	-177.9	-176.3	-163.6	0	0	111.4	L458 Q459 Q464 M465 Q466 Y476 K506	L458-E462 WeakPolarHBondContact O-CB 3.29Å; L458-E462 PolarHBondContact O-N 3.23Å; Q459-E462 PolarHBondContact O-N 3.08Å; E462-Q464 VanDerWaalsContact C-N 3.31Å; E462-Q464 PolarHBondContact O-N 2.93Å; E462-M465 PolarHBondContact O-N 3.41Å; E462-Q466 WeakPolarHBondContact O-CG 3.46Å; E462-Q466 PolarHBondContact O-N 2.96Å; E462-Q466 PolarHBondContact OE1-NE2 3.06Å; E462-Y476 HydrophobicContact CB-CE1 4.48Å; E462-Y476 PolarHBondContact OE2-OH 2.9Å; E462-K506 WeakPolarHBondContact OE1-CB 3.43Å; E462-K506 VanDerWaalsContact OE1-CD 3.24Å; E462-K506 WeakPolarHBondContact OE1-CD 3.48Å; E462-K506 WeakPolarHBondContact OE1-CG 3.41Å
463	T	82	Confident	79.4	Confident	68 Å²	68	57.9 Å²	57.9	42%	0.417	30%	0.296	S	S	.	.	H	α-helix	trans	-57.5	-48.1	180	-54.9	0	0	0	0	110.4	Q459 M465 Q466 E467	Q459-T463 WeakPolarHBondContact O-CB 3.34Å; Q459-T463 PolarHBondContact O-N 3.36Å; Q459-T463 PolarHBondContact O-OG1 2.95Å; T463-M465 PolarHBondContact O-N 2.87Å; T463-Q466 PolarHBondContact O-N 2.86Å; T463-E467 WeakPolarHBondContact O-CG 3.27Å; T463-E467 PolarHBondContact O-N 3.36Å
464	Q	79.3	Confident	80.2	Confident	49 Å²	49	57.2 Å²	57.2	23%	0.229	30%	0.295	C	S	.	.	H	α-helix	trans	-65.9	-34.5	-178.9	-78.3	174.1	-9.9	0	0	113.7	W424 S460 L461 E462	W424-Q464 HydrophobicContact CE3-CB 4.25Å; W424-Q464 HydrophobicContact CH2-CB 3.44Å; W424-Q464 VanDerWaalsContact CH2-CB 3.44Å; W424-Q464 HydrophobicContact CH2-CG 3.94Å; W424-Q464 HydrophobicContact CZ2-CB 3.82Å; W424-Q464 VanDerWaalsContact CZ2-CD 3.45Å; W424-Q464 HydrophobicContact CZ2-CG 3.84Å; W424-Q464 HydrophobicContact CZ3-CB 3.66Å; S460-Q464 VanDerWaalsContact O-CB 3.24Å; S460-Q464 WeakPolarHBondContact O-CB 3.17Å; S460-Q464 WeakPolarHBondContact O-CG 3.49Å; S460-Q464 PolarHBondContact O-N 3.3Å; S460-Q464 VanDerWaalsContact O-N 3.11Å; S460-Q464 PolarHBondContact O-OE1 3.47Å; S460-Q464 PolarHBondContact OG-NE2 3.24Å; L461-Q464 PolarHBondContact O-N 3.18Å; E462-Q464 VanDerWaalsContact C-N 3.31Å; E462-Q464 PolarHBondContact O-N 2.93Å
465	M	78.2	Confident	80.7	Confident	8 Å²	8	59.1 Å²	59.1	4%	0.039	31%	0.308	C	S	.	.	H	α-helix	trans	-73.5	-35.8	176	-76.2	-174	141.2	0	0	112.6	L461 E462 T463 R468 N469 N470 F473 L474	L461-M465 WeakPolarHBondContact O-CB 3.47Å; L461-M465 VanDerWaalsContact O-CG 3.23Å; L461-M465 WeakPolarHBondContact O-CG 3.32Å; L461-M465 PolarHBondContact O-N 3.06Å; E462-M465 PolarHBondContact O-N 3.41Å; T463-M465 PolarHBondContact O-N 2.87Å; M465-R468 PolarHBondContact O-N 2.85Å; M465-N469 PolarHBondContact O-N 3.41Å; M465-N470 PolarHBondContact O-N 2.66Å; M465-F473 HydrophobicContact CE-CB 3.78Å; M465-F473 HydrophobicContact CE-CD1 3.1Å; M465-F473 HydrophobicContact CE-CE1 3.79Å; M465-F473 HydrophobicContact CE-CG 3.62Å; M465-F473 HydrophobicContact SD-CB 4.24Å; M465-F473 HydrophobicContact SD-CD1 4.16Å; M465-L474 HydrophobicContact SD-CB 3.72Å
466	Q	79.8	Confident	81.2	Confident	63 Å²	63	59.5 Å²	59.5	29%	0.294	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-44.3	174.4	-74.8	171.2	9.1	0	0	111.3	E462 T463 R468 N469 A471 K506	E462-Q466 WeakPolarHBondContact O-CG 3.46Å; E462-Q466 PolarHBondContact O-N 2.96Å; E462-Q466 PolarHBondContact OE1-NE2 3.06Å; T463-Q466 PolarHBondContact O-N 2.86Å; Q466-R468 PolarHBondContact O-N 2.92Å; Q466-R468 VanDerWaalsContact O-N 3.08Å; Q466-N469 PolarHBondContact O-N 3.18Å; Q466-A471 HydrophobicContact CG-CB 3.93Å; Q466-K506 VanDerWaalsContact CD-NZ 3.27Å
467	E	81.4	Confident	81.7	Confident	148 Å²	148	55.3 Å²	55.3	69%	0.692	29%	0.286	S	S	*	.	H	α-helix	trans	-56.6	-25.9	175.7	-74.2	175.1	177.8	0	0	113.4	T463	T463-E467 WeakPolarHBondContact O-CG 3.27Å; T463-E467 PolarHBondContact O-N 3.36Å
468	R	76.6	Confident	82	Confident	123 Å²	123	54 Å²	54	46%	0.464	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	15.7	179.5	-65.1	-168	175.6	-144.8	2	114.2	Y427 M465 Q466 N470	Y427-R468 HydrophobicContact CE1-CB 4.5Å; M465-R468 PolarHBondContact O-N 2.85Å; Q466-R468 PolarHBondContact O-N 2.92Å; Q466-R468 VanDerWaalsContact O-N 3.08Å; R468-N470 PolarHBondContact O-N 2.89Å
469	N	77.8	Confident	82.2	Confident	160 Å²	160	54.6 Å²	54.6	86%	0.856	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	30.1	-179	-70.9	-28.1	0	0	0	114.6	M465 Q466	M465-N469 PolarHBondContact O-N 3.41Å; Q466-N469 PolarHBondContact O-N 3.18Å
470	N	76.9	Confident	82.4	Confident	44 Å²	44	51.3 Å²	51.3	24%	0.235	27%	0.266	C	S	.	.			trans	-125.4	43.9	177.8	-161.3	4.6	0	0	0	111.7	Y427 M465 R468 E472 F473	Y427-N470 PolarHBondContact OH-ND2 3.46Å; M465-N470 PolarHBondContact O-N 2.66Å; R468-N470 PolarHBondContact O-N 2.89Å; N470-E472 PolarHBondContact O-N 3.25Å; N470-F473 WeakPolarHBondContact O-CB 3.41Å; N470-F473 PolarHBondContact O-N 2.71Å; N470-F473 VanDerWaalsContact O-N 3.11Å
471	A	72.7	Confident	82.5	Confident	58 Å²	58	51.1 Å²	51.1	48%	0.479	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-25.3	-178.9	0	0	0	0	0	112.8	Q466 F473	Q466-A471 HydrophobicContact CG-CB 3.93Å; A471-F473 VanDerWaalsContact C-N 3.32Å; A471-F473 PolarHBondContact O-N 3.4Å
472	E	80.9	Confident	82.3	Confident	157 Å²	157	52 Å²	52	73%	0.734	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-6.7	178.5	-64.5	-166.1	173.6	0	0	113.8	K438 N470 L474	K438-E472 WeakPolarHBondContact CD-O 3.36Å; K438-E472 WeakPolarHBondContact CE-O 3.5Å; K438-E472 PolarHBondContact NZ-O 3.1Å; N470-E472 PolarHBondContact O-N 3.25Å; E472-L474 PolarHBondContact O-N 2.9Å
473	F	84.8	Confident	81.7	Confident	7 Å²	7	56.5 Å²	56.5	3%	0.031	29%	0.289	C	S	.	.	S	Bend	trans	-64.3	-42.2	-176.8	-177.1	-84.1	0	0	0	113.1	V423 L436 K437 I439 M465 N470 A471	V423-F473 HydrophobicContact CG1-CE1 3.48Å; V423-F473 VanDerWaalsContact CG1-CE1 3.48Å; V423-F473 HydrophobicContact CG1-CZ 3.73Å; L436-F473 HydrophobicContact CD2-CZ 4.32Å; L436-F473 HydrophobicContact CG-CZ 4.2Å; L436-F473 WeakPolarHBondContact O-CE2 3.19Å; K437-F473 WeakPolarHBondContact O-CD2 3.3Å; K437-F473 WeakPolarHBondContact O-CE2 3.43Å; I439-F473 HydrophobicContact CD1-CD1 4.49Å; I439-F473 HydrophobicContact CD1-CE1 3.64Å; I439-F473 HydrophobicContact CD1-CZ 4.33Å; I439-F473 HydrophobicContact CG1-CE1 3.85Å; I439-F473 HydrophobicContact CG1-CZ 4.39Å; I439-F473 PolarHBondContact N-O 3.33Å; M465-F473 HydrophobicContact CE-CB 3.78Å; M465-F473 HydrophobicContact CE-CD1 3.1Å; M465-F473 HydrophobicContact CE-CE1 3.79Å; M465-F473 HydrophobicContact CE-CG 3.62Å; M465-F473 HydrophobicContact SD-CB 4.24Å; M465-F473 HydrophobicContact SD-CD1 4.16Å; N470-F473 WeakPolarHBondContact O-CB 3.41Å; N470-F473 PolarHBondContact O-N 2.71Å; N470-F473 VanDerWaalsContact O-N 3.11Å; A471-F473 VanDerWaalsContact C-N 3.32Å; A471-F473 PolarHBondContact O-N 3.4Å
474	L	88	Confident	80.9	Confident	15 Å²	15	56.5 Å²	56.5	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.7	-178.5	177.3	63.3	0	0	0	109.6	L420 I439 F441 L461 M465 E472 Y476	L420-L474 HydrophobicContact CD2-CD1 3.8Å; L420-L474 HydrophobicContact CD2-CD2 4.28Å; I439-L474 HydrophobicContact CB-CD1 3.79Å; I439-L474 HydrophobicContact CG2-CD1 3.61Å; F441-L474 HydrophobicContact CB-CD1 4.07Å; L461-L474 HydrophobicContact CB-CD2 4.44Å; M465-L474 HydrophobicContact SD-CB 3.72Å; E472-L474 PolarHBondContact O-N 2.9Å; L474-Y476 HydrophobicContact CD2-CD1 4.49Å; L474-Y476 HydrophobicContact CG-CD1 4.33Å
475	S	88.6	Confident	80.2	Confident	39 Å²	39	61.8 Å²	61.8	27%	0.273	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	113.3	169.4	-62.5	0	0	0	0	108.4	K438 I439 Y440 F441	K438-S475 PolarHBondContact NZ-OG 3.09Å; I439-S475 PolarHBondContact O-N 3.05Å; Y440-S475 CarbonylContact C-O 3.6Å; Y440-S475 WeakPolarHBondContact CA-O 3.27Å; F441-S475 PolarHBondContact N-O 3.34Å
476	Y	87.8	Confident	79.4	Confident	13 Å²	13	65.4 Å²	65.4	5%	0.051	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.6	177.3	56.5	-86	0	0	0	111.4	F441 L458 E462 L474 I478 L505 Q507	F441-Y476 CarbonylContact O-C 3.6Å; F441-Y476 WeakPolarHBondContact O-CA 3.31Å; L458-Y476 HydrophobicContact CD1-CD2 4.29Å; E462-Y476 HydrophobicContact CB-CE1 4.48Å; E462-Y476 PolarHBondContact OE2-OH 2.9Å; L474-Y476 HydrophobicContact CD2-CD1 4.49Å; L474-Y476 HydrophobicContact CG-CD1 4.33Å; Y476-I478 HydrophobicContact CD2-CD1 4.32Å; Y476-I478 HydrophobicContact CD2-CG1 4.42Å; Y476-L505 HydrophobicContact CD2-CD1 4.4Å; Y476-L505 HydrophobicContact CE2-CB 4.03Å; Y476-L505 HydrophobicContact CE2-CD1 3.73Å; Y476-L505 HydrophobicContact CE2-CG 4.31Å; Y476-Q507 HydrophobicContact CD2-CB 3.99Å; Y476-Q507 HydrophobicContact CE2-CB 3.48Å; Y476-Q507 VanDerWaalsContact CE2-CB 3.48Å; Y476-Q507 HydrophobicContact CE2-CG 4.48Å; Y476-Q507 WeakPolarHBondContact O-CG 3.48Å
477	N	89.1	Confident	78.6	Confident	23 Å²	23	65.4 Å²	65.4	12%	0.123	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.3	175	-65.9	-62.9	0	0	0	108.9	F441 Y442 W443 Y479 Q507 L510	F441-N477 PolarHBondContact O-N 3.14Å; Y442-N477 WeakPolarHBondContact CA-O 3.48Å; Y442-N477 HydrophobicContact CD1-CB 3.88Å; Y442-N477 HydrophobicContact CE1-CB 4.08Å; Y442-N477 WeakPolarHBondContact CE1-ND2 3.49Å; W443-N477 PolarHBondContact N-O 3.03Å; N477-Y479 HydrophobicContact CB-CD2 4.32Å; N477-Y479 HydrophobicContact CB-CE2 3.67Å; N477-Q507 PolarHBondContact OD1-NE2 2.86Å; N477-L510 HydrophobicContact CB-CD1 4.47Å
478	I	87.6	Confident	77.7	Confident	1 Å²	1	59.7 Å²	59.7	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	129.7	-178	-60.3	173.4	0	0	0	108.2	W443 F451 L458 Y476 T503 L505 T509 L510	W443-I478 CarbonylContact O-C 3.59Å; W443-I478 WeakPolarHBondContact O-CA 3.17Å; F451-I478 HydrophobicContact CD1-CG2 3.79Å; F451-I478 HydrophobicContact CE1-CG2 3.23Å; F451-I478 HydrophobicContact CE2-CG2 4.2Å; F451-I478 HydrophobicContact CG-CG2 4.48Å; F451-I478 HydrophobicContact CZ-CG2 3.46Å; F451-I478 VanDerWaalsContact CZ-CG2 3.46Å; L458-I478 HydrophobicContact CD1-CD1 4.18Å; Y476-I478 HydrophobicContact CD2-CD1 4.32Å; Y476-I478 HydrophobicContact CD2-CG1 4.42Å; I478-T503 HydrophobicContact CD1-CG2 4.13Å; I478-L505 HydrophobicContact CD1-CD1 3.49Å; I478-L505 VanDerWaalsContact CD1-CD1 3.49Å; I478-T509 HydrophobicContact CG2-CG2 4.25Å; I478-L510 PolarHBondContact O-N 3.46Å
479	Y	88	Confident	76.9	Confident	14 Å²	14	58.2 Å²	58.2	6%	0.055	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	120.8	-177.4	-74	-95.8	0	0	0	111.5	Y442 W443 L444 C445 N477 L510 P514	Y442-Y479 AromaticContact CD1-CE2 3.92Å; Y442-Y479 HydrophobicContact CD1-CE2 3.92Å; Y442-Y479 HydrophobicContact CE1-CE2 4.47Å; W443-Y479 PolarHBondContact O-N 2.89Å; L444-Y479 WeakPolarHBondContact CA-O 3.35Å; C445-Y479 PolarHBondContact N-O 3.4Å; N477-Y479 HydrophobicContact CB-CD2 4.32Å; N477-Y479 HydrophobicContact CB-CE2 3.67Å; Y479-L510 CarbonylContact C-O 3.51Å; Y479-L510 VanDerWaalsContact CA-O 3.25Å; Y479-L510 WeakPolarHBondContact CA-O 3.36Å; Y479-L510 HydrophobicContact CD1-CB 3.69Å; Y479-L510 HydrophobicContact CD1-CD1 4.49Å; Y479-L510 HydrophobicContact CE1-CB 3.63Å; Y479-L510 HydrophobicContact CE1-CD1 3.74Å; Y479-L510 HydrophobicContact CE1-CG 4.35Å; Y479-L510 HydrophobicContact CE2-CD1 3.91Å; Y479-L510 HydrophobicContact CG-CB 4.23Å; Y479-L510 VanDerWaalsContact CZ-CD1 3.42Å; Y479-L510 WeakPolarHBondContact OH-CD1 3.32Å; Y479-P514 HydrophobicContact CD1-CB 4.4Å; Y479-P514 HydrophobicContact CD1-CG 3.76Å; Y479-P514 HydrophobicContact CD2-CG 3.67Å; Y479-P514 HydrophobicContact CE1-CB 3.89Å; Y479-P514 HydrophobicContact CE1-CG 3.74Å; Y479-P514 HydrophobicContact CE2-CB 4.02Å; Y479-P514 HydrophobicContact CE2-CG 3.63Å; Y479-P514 HydrophobicContact CG-CG 3.71Å
480	L	86	Confident	76.1	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	109.4	169.5	-174.1	66.4	0	0	0	110	T448 F451 G482 W483 T509 L510 Y511 G512	T448-L480 HydrophobicContact CG2-CD1 4.03Å; T448-L480 HydrophobicContact CG2-CD2 3.68Å; F451-L480 HydrophobicContact CE2-CD1 4.01Å; F451-L480 HydrophobicContact CZ-CD1 4.44Å; L480-G482 WeakPolarHBondContact CG-O 3.32Å; L480-W483 HydrophobicContact CD2-CB 4.26Å; L480-T509 HydrophobicContact CB-CG2 3.95Å; L480-L510 PolarHBondContact N-O 3.03Å; L480-Y511 HydrophobicContact CB-CD1 4.34Å; L480-Y511 HydrophobicContact CB-CE1 4.46Å; L480-Y511 HydrophobicContact CD2-CD1 4.31Å; L480-Y511 HydrophobicContact CD2-CE1 3.95Å; L480-G512 PolarHBondContact O-N 2.91Å
481	T	85.6	Confident	75.3	Confident	47 Å²	47	54.9 Å²	54.9	29%	0.288	30%	0.298	S	S	.	.			trans	-96.3	-16.1	-174.3	59.1	0	0	0	0	113.9	L444 C445 R446 G512 R513	L444-T481 HydrophobicContact CB-CG2 4.44Å; L444-T481 HydrophobicContact CD2-CG2 4.43Å; C445-T481 PolarHBondContact O-N 2.85Å; C445-T481 PolarHBondContact O-OG1 3.49Å; R446-T481 VanDerWaalsContact CG-OG1 3.27Å; R446-T481 WeakPolarHBondContact CG-OG1 3.28Å; T481-G512 WeakPolarHBondContact CG2-O 3.2Å; T481-R513 HydrophobicContact CG2-CG 4.48Å
482	G	76.5	Confident	74.7	Confident	26 Å²	26	55.7 Å²	55.7	27%	0.268	30%	0.304	S	S	.	.	S	Bend	trans	-111.7	102.8	169	0	0	0	0	0	107.9	L480	L480-G482 WeakPolarHBondContact CG-O 3.32Å
483	W	67.9	Low	73.7	Confident	123 Å²	123	53.3 Å²	53.3	47%	0.466	30%	0.301	S	S	.	.			trans	-134.8	151.9	-180	63.8	-88.9	0	0	0	109.5	L480 A488 Y511	L480-W483 HydrophobicContact CD2-CB 4.26Å; W483-A488 HydrophobicContact CE3-CB 3.71Å; W483-A488 HydrophobicContact CZ3-CB 3.74Å; W483-Y511 HydrophobicContact CB-CD1 4.09Å; W483-Y511 HydrophobicContact CG-CD1 4.24Å
484	D	65.3	Low	72.6	Confident	68 Å²	68	55.9 Å²	55.9	36%	0.364	31%	0.313	S	S	.	.			trans	-113.8	162	171.2	72.7	47.5	0	0	0	111	S486 Q487 A488	D484-S486 VanDerWaalsContact C-N 3.25Å; D484-S486 PolarHBondContact O-N 2.94Å; D484-S486 WeakPolarHBondContact OD1-CA 3.45Å; D484-S486 WeakPolarHBondContact OD1-CB 3.29Å; D484-S486 PolarHBondContact OD1-N 3.4Å; D484-S486 PolarHBondContact OD1-OG 3.1Å; D484-Q487 WeakPolarHBondContact O-CB 3.29Å; D484-Q487 PolarHBondContact O-N 2.98Å; D484-Q487 WeakPolarHBondContact OD1-CB 3.44Å; D484-Q487 WeakPolarHBondContact OD1-CG 3.4Å; D484-Q487 PolarHBondContact OD1-N 3.47Å; D484-A488 PolarHBondContact O-N 2.82Å
485	E	64.1	Low	71.2	Confident	160 Å²	160	60.5 Å²	60.5	75%	0.748	33%	0.333	S	S	*	.	H	α-helix	trans	-62.2	-30.7	-177.6	-76.7	-178.8	160.7	0	0	113.2	T489	E485-T489 WeakPolarHBondContact O-CB 3.36Å; E485-T489 PolarHBondContact O-N 2.96Å; E485-T489 PolarHBondContact O-OG1 3.42Å
486	S	62.2	Low	69.8	Low	85 Å²	85	67.9 Å²	67.9	59%	0.594	36%	0.363	S	S	*	.	H	α-helix	trans	-71.2	-40	-179.6	73.1	0	0	0	0	112	D484 T489 H490	D484-S486 VanDerWaalsContact C-N 3.25Å; D484-S486 PolarHBondContact O-N 2.94Å; D484-S486 WeakPolarHBondContact OD1-CA 3.45Å; D484-S486 WeakPolarHBondContact OD1-CB 3.29Å; D484-S486 PolarHBondContact OD1-N 3.4Å; D484-S486 PolarHBondContact OD1-OG 3.1Å; S486-T489 PolarHBondContact O-N 3.13Å; S486-H490 PolarHBondContact O-N 2.94Å; S486-H490 VanDerWaalsContact O-N 3.09Å
487	Q	63.9	Low	68.8	Low	63 Å²	63	71.6 Å²	71.6	29%	0.294	38%	0.381	S	S	.	.	H	α-helix	trans	-62	-54	172.4	-79.2	-176.6	4.7	0	0	109.7	D484 T489 H490 F491	D484-Q487 WeakPolarHBondContact O-CB 3.29Å; D484-Q487 PolarHBondContact O-N 2.98Å; D484-Q487 WeakPolarHBondContact OD1-CB 3.44Å; D484-Q487 WeakPolarHBondContact OD1-CG 3.4Å; D484-Q487 PolarHBondContact OD1-N 3.47Å; Q487-T489 PolarHBondContact O-N 3.44Å; Q487-T489 VanDerWaalsContact O-N 3.17Å; Q487-H490 PolarHBondContact O-N 3.48Å; Q487-H490 VanDerWaalsContact O-N 3.15Å; Q487-F491 HydrophobicContact CB-CD2 4.28Å; Q487-F491 HydrophobicContact CB-CE2 3.66Å; Q487-F491 HydrophobicContact CB-CZ 4.44Å; Q487-F491 HydrophobicContact CG-CE2 4.34Å; Q487-F491 WeakPolarHBondContact O-CD2 3.3Å; Q487-F491 VanDerWaalsContact O-CE2 3.28Å; Q487-F491 WeakPolarHBondContact O-CE2 3.5Å; Q487-F491 VanDerWaalsContact O-CG 3.24Å; Q487-F491 WeakPolarHBondContact O-CG 3.25Å; Q487-F491 PolarHBondContact O-N 3.35Å; Q487-F491 VanDerWaalsContact O-N 3.09Å
488	A	62.1	Low	67.6	Low	28 Å²	28	79.1 Å²	79.1	23%	0.231	42%	0.416	C	S	.	.	H	α-helix	trans	-55.8	-36.6	178.6	0	0	0	0	0	113.2	W483 D484 F491 A492	W483-A488 HydrophobicContact CE3-CB 3.71Å; W483-A488 HydrophobicContact CZ3-CB 3.74Å; D484-A488 PolarHBondContact O-N 2.82Å; A488-F491 PolarHBondContact O-N 3.47Å; A488-A492 PolarHBondContact O-N 3.38Å
489	T	58.4	Low	66.9	Low	91 Å²	91	84.6 Å²	84.6	56%	0.558	44%	0.44	S	S	*	.	H	α-helix	trans	-69.3	-45.7	178.1	-51.8	0	0	0	0	111.9	E485 S486 Q487 F491 A492 V493	E485-T489 WeakPolarHBondContact O-CB 3.36Å; E485-T489 PolarHBondContact O-N 2.96Å; E485-T489 PolarHBondContact O-OG1 3.42Å; S486-T489 PolarHBondContact O-N 3.13Å; Q487-T489 PolarHBondContact O-N 3.44Å; Q487-T489 VanDerWaalsContact O-N 3.17Å; T489-F491 PolarHBondContact O-N 2.67Å; T489-A492 PolarHBondContact O-N 2.93Å; T489-V493 WeakPolarHBondContact O-CG2 3.46Å; T489-V493 PolarHBondContact O-N 3.37Å
490	H	62.6	Low	66.1	Low	103 Å²	103	84.7 Å²	84.7	48%	0.477	44%	0.441	S	S	.	.	H	α-helix	trans	-56.8	-39.4	174.5	-174.6	-88.1	0	0	0	111.3	S486 Q487 H494	S486-H490 PolarHBondContact O-N 2.94Å; S486-H490 VanDerWaalsContact O-N 3.09Å; Q487-H490 PolarHBondContact O-N 3.48Å; Q487-H490 VanDerWaalsContact O-N 3.15Å; H490-H494 AromaticContact CE1-CD2 3.81Å; H490-H494 AromaticContact CE1-NE2 3.99Å; H490-H494 AromaticContact ND1-CD2 4Å; H490-H494 PolarHBondContact O-CD2 3.5Å
491	F	60	Low	65.2	Low	32 Å²	32	88 Å²	88	14%	0.14	46%	0.461	C	S	.	.	H	α-helix	trans	-78	-32.8	-177.3	-56.4	-52	0	0	0	114.6	Q487 A488 T489 V493 H494 H495 I502 Y511	Q487-F491 HydrophobicContact CB-CD2 4.28Å; Q487-F491 HydrophobicContact CB-CE2 3.66Å; Q487-F491 HydrophobicContact CB-CZ 4.44Å; Q487-F491 HydrophobicContact CG-CE2 4.34Å; Q487-F491 WeakPolarHBondContact O-CD2 3.3Å; Q487-F491 VanDerWaalsContact O-CE2 3.28Å; Q487-F491 WeakPolarHBondContact O-CE2 3.5Å; Q487-F491 VanDerWaalsContact O-CG 3.24Å; Q487-F491 WeakPolarHBondContact O-CG 3.25Å; Q487-F491 PolarHBondContact O-N 3.35Å; Q487-F491 VanDerWaalsContact O-N 3.09Å; A488-F491 PolarHBondContact O-N 3.47Å; T489-F491 PolarHBondContact O-N 2.67Å; F491-V493 PolarHBondContact O-N 3.22Å; F491-H494 PolarHBondContact O-N 3.09Å; F491-H495 PolarHBondContact O-N 2.96Å; F491-I502 HydrophobicContact CD1-CD1 4.2Å; F491-I502 HydrophobicContact CD1-CG1 4.2Å; F491-I502 HydrophobicContact CD2-CD1 4.5Å; F491-I502 HydrophobicContact CE1-CD1 3.62Å; F491-I502 HydrophobicContact CE1-CG1 3.49Å; F491-I502 VanDerWaalsContact CE1-CG1 3.49Å; F491-I502 HydrophobicContact CE2-CD1 3.91Å; F491-I502 HydrophobicContact CZ-CD1 3.47Å; F491-I502 VanDerWaalsContact CZ-CD1 3.47Å; F491-I502 HydrophobicContact CZ-CG1 3.78Å; F491-Y511 HydrophobicContact CB-CE2 4.42Å; F491-Y511 VanDerWaalsContact CB-OH 3.24Å; F491-Y511 WeakPolarHBondContact CB-OH 3.36Å; F491-Y511 AromaticContact CD2-CE1 3.67Å; F491-Y511 HydrophobicContact CD2-CE1 3.67Å; F491-Y511 AromaticContact CD2-CZ 3.45Å; F491-Y511 VanDerWaalsContact CD2-CZ 3.45Å; F491-Y511 WeakPolarHBondContact CD2-OH 3.35Å; F491-Y511 HydrophobicContact CE2-CE1 4.04Å; F491-Y511 AromaticContact CG-CZ 3.93Å; F491-Y511 WeakPolarHBondContact CG-OH 3.25Å
492	A	60.1	Low	64.3	Low	74 Å²	74	87.6 Å²	87.6	61%	0.612	46%	0.457	S	S	*	.	H	α-helix	trans	-62.7	-34.9	174.1	0	0	0	0	0	111.7	A488 T489 H495	A488-A492 PolarHBondContact O-N 3.38Å; T489-A492 PolarHBondContact O-N 2.93Å; A492-H495 WeakPolarHBondContact O-CB 3.34Å; A492-H495 PolarHBondContact O-N 3.25Å
493	V	60	Low	64	Low	108 Å²	108	87 Å²	87	66%	0.655	45%	0.448	S	S	*	.	H	α-helix	trans	-67.7	-35.6	178.2	175.9	0	0	0	0	111.8	T489 F491	T489-V493 WeakPolarHBondContact O-CG2 3.46Å; T489-V493 PolarHBondContact O-N 3.37Å; F491-V493 PolarHBondContact O-N 3.22Å
494	H	60.2	Low	64.2	Low	61 Å²	61	82.4 Å²	82.4	28%	0.282	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	14	178.4	-65.1	-74.8	0	0	0	113.6	H490 F491 E496 E497 V501	H490-H494 AromaticContact CE1-CD2 3.81Å; H490-H494 AromaticContact CE1-NE2 3.99Å; H490-H494 AromaticContact ND1-CD2 4Å; H490-H494 PolarHBondContact O-CD2 3.5Å; F491-H494 PolarHBondContact O-N 3.09Å; H494-E496 PolarHBondContact O-N 3.32Å; H494-E497 IonicContact CE1-OE1 2.75Å; H494-E497 IonicContact CG-OE1 2.63Å; H494-E497 IonicContact ND1-OE1 3.28Å; H494-E497 PolarHBondContact ND1-OE1 2.89Å; H494-E497 PolarHBondContact O-N 3.17Å; H494-V501 HydrophobicContact CB-CG2 3.5Å
495	H	59.8	Low	64.8	Low	112 Å²	112	79.1 Å²	79.1	52%	0.519	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.3	-179.1	-164.3	81	0	0	0	113	F491 A492 E497 K508	F491-H495 PolarHBondContact O-N 2.96Å; A492-H495 WeakPolarHBondContact O-CB 3.34Å; A492-H495 PolarHBondContact O-N 3.25Å; H495-E497 VanDerWaalsContact C-N 3.34Å; H495-K508 VanDerWaalsContact CE1-CD 3.41Å; H495-K508 WeakPolarHBondContact CE1-CD 3.5Å; H495-K508 WeakPolarHBondContact O-CE 3.43Å; H495-K508 PolarHBondContact O-NZ 3.31Å
496	E	58.5	Low	65.4	Low	193 Å²	193	76.7 Å²	76.7	90%	0.902	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-7.6	177	-64.9	-171.7	168.4	0	0	113.4	H494	H494-E496 PolarHBondContact O-N 3.32Å
497	E	66.3	Low	66.2	Low	91 Å²	91	76.6 Å²	76.6	43%	0.425	40%	0.398	S	S	.	.	S	Bend	trans	-72.2	145.4	177.8	-63.7	-177.5	-171.2	0	0	112.1	H494 H495 K499	H494-E497 IonicContact CE1-OE1 2.75Å; H494-E497 IonicContact CG-OE1 2.63Å; H494-E497 IonicContact ND1-OE1 3.28Å; H494-E497 PolarHBondContact ND1-OE1 2.89Å; H494-E497 PolarHBondContact O-N 3.17Å; H495-E497 VanDerWaalsContact C-N 3.34Å; E497-K499 VanDerWaalsContact C-N 3.26Å; E497-K499 PolarHBondContact O-N 2.9Å
498	E	64.8	Low	66.9	Low	182 Å²	182	76.5 Å²	76.5	85%	0.85	40%	0.397	S	S	*	.	S	Bend	trans	-67.7	-23.9	-178.5	-79.6	-167.8	157	0	0	113.7
499	K	72.8	Confident	67.8	Low	116 Å²	116	75.5 Å²	75.5	50%	0.504	39%	0.388	S	S	.	.	S	Bend	trans	-121	147.7	179.9	-69.1	-178.6	177.9	-178	0	110.1	E497 V501 L505	E497-K499 VanDerWaalsContact C-N 3.26Å; E497-K499 PolarHBondContact O-N 2.9Å; K499-V501 PolarHBondContact O-N 3.3Å; K499-L505 WeakPolarHBondContact CA-O 3.23Å
500	D	71.4	Confident	69.1	Low	16 Å²	16	74.1 Å²	74.1	9%	0.086	38%	0.377	C	S	.	.			trans	-65.5	128.8	175.2	-174.3	73.2	0	0	0	111	I502 T503 G504 L505 T509	D500-I502 PolarHBondContact O-N 3.12Å; D500-I502 WeakPolarHBondContact OD2-CB 3.28Å; D500-I502 PolarHBondContact OD2-N 3.38Å; D500-T503 WeakPolarHBondContact CB-OG1 3.39Å; D500-T503 WeakPolarHBondContact OD2-CB 3.49Å; D500-T503 PolarHBondContact OD2-N 2.99Å; D500-T503 PolarHBondContact OD2-OG1 2.94Å; D500-G504 VanDerWaalsContact O-CA 3.23Å; D500-G504 WeakPolarHBondContact O-CA 3.46Å; D500-G504 PolarHBondContact O-N 3.23Å; D500-L505 WeakPolarHBondContact CB-O 3.42Å; D500-L505 PolarHBondContact N-O 3.4Å; D500-T509 PolarHBondContact OD1-N 2.86Å; D500-T509 PolarHBondContact OD1-OG1 3.09Å; D500-T509 PolarHBondContact OD2-OG1 3.35Å
501	V	65.9	Low	70.1	Confident	69 Å²	69	73 Å²	73	42%	0.418	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-24.3	-175.9	-173.7	0	0	0	0	112.7	H494 K499	H494-V501 HydrophobicContact CB-CG2 3.5Å; K499-V501 PolarHBondContact O-N 3.3Å
502	I	67.8	Low	71.3	Confident	38 Å²	38	72.3 Å²	72.3	20%	0.195	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-48.1	-177.5	-55.6	173.2	0	0	0	110.4	T448 F451 F491 D500 T509	T448-I502 HydrophobicContact CG2-CD1 4.16Å; T448-I502 HydrophobicContact CG2-CG2 4.14Å; F451-I502 HydrophobicContact CD2-CG2 4.17Å; F491-I502 HydrophobicContact CD1-CD1 4.2Å; F491-I502 HydrophobicContact CD1-CG1 4.2Å; F491-I502 HydrophobicContact CD2-CD1 4.5Å; F491-I502 HydrophobicContact CE1-CD1 3.62Å; F491-I502 HydrophobicContact CE1-CG1 3.49Å; F491-I502 VanDerWaalsContact CE1-CG1 3.49Å; F491-I502 HydrophobicContact CE2-CD1 3.91Å; F491-I502 HydrophobicContact CZ-CD1 3.47Å; F491-I502 VanDerWaalsContact CZ-CD1 3.47Å; F491-I502 HydrophobicContact CZ-CG1 3.78Å; D500-I502 PolarHBondContact O-N 3.12Å; D500-I502 WeakPolarHBondContact OD2-CB 3.28Å; D500-I502 PolarHBondContact OD2-N 3.38Å; I502-T509 HydrophobicContact CD1-CG2 4.45Å
503	T	70.3	Confident	72.6	Confident	14 Å²	14	79.2 Å²	79.2	9%	0.086	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-14.8	-169.2	61	0	0	0	0	113.8	F451 I478 D500 L505	F451-T503 HydrophobicContact CB-CG2 3.98Å; F451-T503 HydrophobicContact CD2-CG2 4.42Å; F451-T503 HydrophobicContact CG-CG2 4.24Å; I478-T503 HydrophobicContact CD1-CG2 4.13Å; D500-T503 WeakPolarHBondContact CB-OG1 3.39Å; D500-T503 WeakPolarHBondContact OD2-CB 3.49Å; D500-T503 PolarHBondContact OD2-N 2.99Å; D500-T503 PolarHBondContact OD2-OG1 2.94Å; T503-L505 PolarHBondContact O-N 2.97Å
504	G	72.9	Confident	74	Confident	26 Å²	26	74.5 Å²	74.5	27%	0.268	35%	0.352	S	S	.	.			trans	69	10.6	-174.8	0	0	0	0	0	114.5	Q459 D500	Q459-G504 PolarHBondContact NE2-O 3.21Å; Q459-G504 VanDerWaalsContact NE2-O 3.07Å; D500-G504 VanDerWaalsContact O-CA 3.23Å; D500-G504 WeakPolarHBondContact O-CA 3.46Å; D500-G504 PolarHBondContact O-N 3.23Å
505	L	77.7	Confident	75.6	Confident	0 Å²	0	75.7 Å²	75.7	0%	0	36%	0.361	C	S	.	.			trans	-90.2	158.4	-178.1	-64.4	171.9	0	0	0	111.4	A455 L458 Q459 Y476 I478 K499 D500 T503	A455-L505 HydrophobicContact CB-CD1 4.48Å; L458-L505 HydrophobicContact CB-CD1 4.11Å; L458-L505 HydrophobicContact CB-CD2 4.01Å; L458-L505 HydrophobicContact CD1-CD1 4Å; Q459-L505 HydrophobicContact CB-CD2 3.64Å; Q459-L505 HydrophobicContact CG-CD2 4.25Å; Y476-L505 HydrophobicContact CD2-CD1 4.4Å; Y476-L505 HydrophobicContact CE2-CB 4.03Å; Y476-L505 HydrophobicContact CE2-CD1 3.73Å; Y476-L505 HydrophobicContact CE2-CG 4.31Å; I478-L505 HydrophobicContact CD1-CD1 3.49Å; I478-L505 VanDerWaalsContact CD1-CD1 3.49Å; K499-L505 WeakPolarHBondContact CA-O 3.23Å; D500-L505 WeakPolarHBondContact CB-O 3.42Å; D500-L505 PolarHBondContact N-O 3.4Å; T503-L505 PolarHBondContact O-N 2.97Å
506	K	75.6	Confident	77.2	Confident	108 Å²	108	71.2 Å²	71.2	47%	0.47	34%	0.339	S	S	.	.	S	Bend	trans	-67.9	-39	174.5	-65.1	-167.2	-175.6	173.4	0	112.5	E462 Q466 K508	E462-K506 WeakPolarHBondContact OE1-CB 3.43Å; E462-K506 VanDerWaalsContact OE1-CD 3.24Å; E462-K506 WeakPolarHBondContact OE1-CD 3.48Å; E462-K506 WeakPolarHBondContact OE1-CG 3.41Å; Q466-K506 VanDerWaalsContact CD-NZ 3.27Å; K506-K508 PolarHBondContact O-N 3.23Å
507	Q	78.5	Confident	78.8	Confident	84 Å²	84	66.2 Å²	66.2	39%	0.393	32%	0.316	S	S	.	.	S	Bend	trans	-73.2	126.5	174.3	-168.4	76.3	1.7	0	0	110.2	Y476 N477	Y476-Q507 HydrophobicContact CD2-CB 3.99Å; Y476-Q507 HydrophobicContact CE2-CB 3.48Å; Y476-Q507 VanDerWaalsContact CE2-CB 3.48Å; Y476-Q507 HydrophobicContact CE2-CG 4.48Å; Y476-Q507 WeakPolarHBondContact O-CG 3.48Å; N477-Q507 PolarHBondContact OD1-NE2 2.86Å
508	K	79.9	Confident	80.1	Confident	61 Å²	61	65.9 Å²	65.9	27%	0.265	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-74	146.4	178.5	-63.1	-179.8	-175.2	161.2	0	112.4	H495 K506 L510	H495-K508 VanDerWaalsContact CE1-CD 3.41Å; H495-K508 WeakPolarHBondContact CE1-CD 3.5Å; H495-K508 WeakPolarHBondContact O-CE 3.43Å; H495-K508 PolarHBondContact O-NZ 3.31Å; K506-K508 PolarHBondContact O-N 3.23Å; K508-L510 PolarHBondContact O-N 2.98Å
509	T	81.3	Confident	81.5	Confident	6 Å²	6	59.4 Å²	59.4	4%	0.037	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68	129	173.3	-61.1	0	0	0	0	110.2	I478 L480 D500 I502 Y511	I478-T509 HydrophobicContact CG2-CG2 4.25Å; L480-T509 HydrophobicContact CB-CG2 3.95Å; D500-T509 PolarHBondContact OD1-N 2.86Å; D500-T509 PolarHBondContact OD1-OG1 3.09Å; D500-T509 PolarHBondContact OD2-OG1 3.35Å; I502-T509 HydrophobicContact CD1-CG2 4.45Å; T509-Y511 WeakPolarHBondContact O-CE2 3.42Å
510	L	84.4	Confident	82.6	Confident	62 Å²	62	53.9 Å²	53.9	33%	0.325	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144.5	178.1	-60.1	174.6	0	0	0	110.3	N477 I478 Y479 L480 K508	N477-L510 HydrophobicContact CB-CD1 4.47Å; I478-L510 PolarHBondContact O-N 3.46Å; Y479-L510 CarbonylContact C-O 3.51Å; Y479-L510 VanDerWaalsContact CA-O 3.25Å; Y479-L510 WeakPolarHBondContact CA-O 3.36Å; Y479-L510 HydrophobicContact CD1-CB 3.69Å; Y479-L510 HydrophobicContact CD1-CD1 4.49Å; Y479-L510 HydrophobicContact CE1-CB 3.63Å; Y479-L510 HydrophobicContact CE1-CD1 3.74Å; Y479-L510 HydrophobicContact CE1-CG 4.35Å; Y479-L510 HydrophobicContact CE2-CD1 3.91Å; Y479-L510 HydrophobicContact CG-CB 4.23Å; Y479-L510 VanDerWaalsContact CZ-CD1 3.42Å; Y479-L510 WeakPolarHBondContact OH-CD1 3.32Å; L480-L510 PolarHBondContact N-O 3.03Å; K508-L510 PolarHBondContact O-N 2.98Å
511	Y	83	Confident	83.6	Confident	80 Å²	80	56.9 Å²	56.9	31%	0.314	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.5	-177.1	-61.3	-87.4	0	0	0	112	L480 W483 F491 T509	L480-Y511 HydrophobicContact CB-CD1 4.34Å; L480-Y511 HydrophobicContact CB-CE1 4.46Å; L480-Y511 HydrophobicContact CD2-CD1 4.31Å; L480-Y511 HydrophobicContact CD2-CE1 3.95Å; W483-Y511 HydrophobicContact CB-CD1 4.09Å; W483-Y511 HydrophobicContact CG-CD1 4.24Å; F491-Y511 HydrophobicContact CB-CE2 4.42Å; F491-Y511 VanDerWaalsContact CB-OH 3.24Å; F491-Y511 WeakPolarHBondContact CB-OH 3.36Å; F491-Y511 AromaticContact CD2-CE1 3.67Å; F491-Y511 HydrophobicContact CD2-CE1 3.67Å; F491-Y511 AromaticContact CD2-CZ 3.45Å; F491-Y511 VanDerWaalsContact CD2-CZ 3.45Å; F491-Y511 WeakPolarHBondContact CD2-OH 3.35Å; F491-Y511 HydrophobicContact CE2-CE1 4.04Å; F491-Y511 AromaticContact CG-CZ 3.93Å; F491-Y511 WeakPolarHBondContact CG-OH 3.25Å; T509-Y511 WeakPolarHBondContact O-CE2 3.42Å
512	G	85.3	Confident	84.9	Confident	17 Å²	17	56.5 Å²	56.5	18%	0.175	27%	0.273	C	S	.	.	S	Bend	trans	84.1	-156.9	-179.2	0	0	0	0	0	112.9	L480 T481	L480-G512 PolarHBondContact O-N 2.91Å; T481-G512 WeakPolarHBondContact CG2-O 3.2Å
513	R	87.4	Confident	86.1	Confident	220 Å²	220	54.8 Å²	54.8	83%	0.83	26%	0.264	S	S	*	.			trans	-96.1	141.9	-176.7	-64	-176.3	-175.7	-175.4	3.8	110.2	T481 N515	T481-R513 HydrophobicContact CG2-CG 4.48Å; R513-N515 PolarHBondContact O-N 2.93Å
514	P	91.1	Very high	87.2	Confident	8 Å²	8	55 Å²	55	5%	0.052	27%	0.267	C	S	.	.			trans	-56.4	138.1	172.4	-19.4	28.6	0	0	0	110.9	L444 Y479 W516	L444-P514 HydrophobicContact CD1-CG 4.33Å; L444-P514 HydrophobicContact CD2-CG 3.94Å; L444-P514 HydrophobicContact CG-CG 4.21Å; Y479-P514 HydrophobicContact CD1-CB 4.4Å; Y479-P514 HydrophobicContact CD1-CG 3.76Å; Y479-P514 HydrophobicContact CD2-CG 3.67Å; Y479-P514 HydrophobicContact CE1-CB 3.89Å; Y479-P514 HydrophobicContact CE1-CG 3.74Å; Y479-P514 HydrophobicContact CE2-CB 4.02Å; Y479-P514 HydrophobicContact CE2-CG 3.63Å; Y479-P514 HydrophobicContact CG-CG 3.71Å; P514-W516 HydrophobicContact CB-CD2 3.94Å; P514-W516 HydrophobicContact CB-CE3 4.15Å; P514-W516 HydrophobicContact CB-CH2 4.13Å; P514-W516 HydrophobicContact CB-CZ2 3.93Å; P514-W516 HydrophobicContact CB-CZ3 4.23Å; P514-W516 HydrophobicContact CG-CH2 3.92Å; P514-W516 HydrophobicContact CG-CZ2 3.6Å; P514-W516 PolarHBondContact O-N 2.66Å
515	N	92.8	Very high	88.1	Confident	87 Å²	87	63.3 Å²	63.3	47%	0.465	29%	0.291	S	S	.	.			trans	-78.8	82	167.3	-172.3	-22.7	0	0	0	108.9	R513 E517 N518 E519	R513-N515 PolarHBondContact O-N 2.93Å; N515-E517 PolarHBondContact O-N 2.85Å; N515-E517 VanDerWaalsContact O-N 3.11Å; N515-E517 PolarHBondContact OD1-N 3.44Å; N515-N518 HydrophobicContact CB-CB 4.33Å; N515-N518 PolarHBondContact ND2-ND2 3.37Å; N515-N518 PolarHBondContact O-N 3.37Å; N515-N518 PolarHBondContact OD1-N 3Å; N515-E519 WeakPolarHBondContact O-CG 3.5Å; N515-E519 PolarHBondContact O-N 3.07Å
516	W	94.2	Very high	88.7	Confident	18 Å²	18	68.5 Å²	68.5	7%	0.068	32%	0.315	C	S	.	.	H	α-helix	trans	-55.6	-30.6	-175.8	-65.2	118.2	0	0	0	113.8	V407 Y442 L444 P514 F520 L542 T545 L546 Q549	V407-W516 HydrophobicContact CB-CH2 4.43Å; V407-W516 HydrophobicContact CG1-CH2 3.6Å; V407-W516 HydrophobicContact CG1-CZ2 3.94Å; V407-W516 HydrophobicContact CG2-CH2 3.91Å; V407-W516 HydrophobicContact CG2-CZ3 4.17Å; Y442-W516 HydrophobicContact CD1-CH2 4.14Å; Y442-W516 AromaticContact CD1-CZ3 3.94Å; Y442-W516 HydrophobicContact CD1-CZ3 3.94Å; Y442-W516 HydrophobicContact CD2-CZ3 4.19Å; Y442-W516 HydrophobicContact CE1-CZ3 4.28Å; Y442-W516 HydrophobicContact CE2-CZ3 4.48Å; Y442-W516 AromaticContact CG-CH2 3.96Å; Y442-W516 HydrophobicContact CG-CH2 3.96Å; Y442-W516 AromaticContact CG-CZ3 3.91Å; Y442-W516 HydrophobicContact CG-CZ3 3.91Å; L444-W516 HydrophobicContact CD1-CH2 4.11Å; L444-W516 HydrophobicContact CD1-CZ2 3.97Å; L444-W516 HydrophobicContact CD2-CZ2 4.14Å; P514-W516 HydrophobicContact CB-CD2 3.94Å; P514-W516 HydrophobicContact CB-CE3 4.15Å; P514-W516 HydrophobicContact CB-CH2 4.13Å; P514-W516 HydrophobicContact CB-CZ2 3.93Å; P514-W516 HydrophobicContact CB-CZ3 4.23Å; P514-W516 HydrophobicContact CG-CH2 3.92Å; P514-W516 HydrophobicContact CG-CZ2 3.6Å; P514-W516 PolarHBondContact O-N 2.66Å; W516-F520 HydrophobicContact CE3-CE2 4.22Å; W516-F520 WeakPolarHBondContact O-CB 3.47Å; W516-F520 WeakPolarHBondContact O-CD2 3.45Å; W516-F520 PolarHBondContact O-N 3.16Å; W516-L542 HydrophobicContact CZ2-CD1 3.9Å; W516-T545 HydrophobicContact CG-CG2 4.5Å; W516-L546 HydrophobicContact CD2-CD2 3.49Å; W516-L546 VanDerWaalsContact CD2-CD2 3.49Å; W516-L546 HydrophobicContact CE3-CD2 3.65Å; W516-L546 HydrophobicContact CG-CD2 3.96Å; W516-L546 HydrophobicContact CH2-CD2 4.21Å; W516-L546 HydrophobicContact CZ2-CD2 4.06Å; W516-L546 HydrophobicContact CZ3-CD2 4.02Å; W516-Q549 HydrophobicContact CB-CG 4Å
517	E	92.3	Very high	89.5	Confident	88 Å²	88	64.9 Å²	64.9	41%	0.411	30%	0.299	S	S	.	.	H	α-helix	trans	-65	-45.2	177.3	-174	177.4	165.8	0	0	111.6	N515 K521	N515-E517 PolarHBondContact O-N 2.85Å; N515-E517 VanDerWaalsContact O-N 3.11Å; N515-E517 PolarHBondContact OD1-N 3.44Å; E517-K521 HydrophobicContact CG-CD 4.2Å; E517-K521 WeakPolarHBondContact O-CB 3.18Å; E517-K521 VanDerWaalsContact O-CG 3.27Å; E517-K521 WeakPolarHBondContact O-CG 3.44Å; E517-K521 PolarHBondContact O-N 2.84Å; E517-K521 IonicContact OE1-NZ 3.84Å; E517-K521 PolarHBondContact OE1-NZ 3.23Å
518	N	93.3	Very high	89.9	Confident	84 Å²	84	65.6 Å²	65.6	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-68.7	-40.3	178.2	-73.2	-5.3	0	0	0	112	N515 K521 T522	N515-N518 HydrophobicContact CB-CB 4.33Å; N515-N518 PolarHBondContact ND2-ND2 3.37Å; N515-N518 PolarHBondContact O-N 3.37Å; N515-N518 PolarHBondContact OD1-N 3Å; N518-K521 PolarHBondContact O-N 3.15Å; N518-T522 WeakPolarHBondContact O-CB 3.36Å; N518-T522 PolarHBondContact O-N 3.44Å; N518-T522 PolarHBondContact O-OG1 3.3Å
519	E	94.1	Very high	90.1	Very high	46 Å²	46	64.8 Å²	64.8	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-59.7	-50.7	177	-66	-57.7	136.5	0	0	111	Y442 N515 K521 T522 I523	Y442-E519 HydrophobicContact CE1-CG 4.08Å; Y442-E519 WeakPolarHBondContact CE1-OE2 3.43Å; Y442-E519 PolarHBondContact OH-OE2 2.93Å; N515-E519 WeakPolarHBondContact O-CG 3.5Å; N515-E519 PolarHBondContact O-N 3.07Å; E519-K521 PolarHBondContact O-N 3.33Å; E519-T522 PolarHBondContact O-N 2.79Å; E519-I523 WeakPolarHBondContact O-CG1 3.4Å; E519-I523 PolarHBondContact O-N 3.26Å
520	F	94.6	Very high	90.4	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.1	-42.5	178.9	-85.5	-110	0	0	0	111.9	M405 W516 T522 I523 A524 V534 L546 Q549 S550 N553 F563	M405-F520 HydrophobicContact CE-CD2 3.92Å; M405-F520 HydrophobicContact CE-CE2 3.62Å; M405-F520 HydrophobicContact CE-CZ 4.01Å; M405-F520 HydrophobicContact SD-CE1 4.34Å; M405-F520 HydrophobicContact SD-CE2 4.38Å; M405-F520 HydrophobicContact SD-CZ 4.23Å; W516-F520 HydrophobicContact CE3-CE2 4.22Å; W516-F520 WeakPolarHBondContact O-CB 3.47Å; W516-F520 WeakPolarHBondContact O-CD2 3.45Å; W516-F520 PolarHBondContact O-N 3.16Å; F520-T522 VanDerWaalsContact C-N 3.31Å; F520-T522 PolarHBondContact O-N 3.16Å; F520-I523 PolarHBondContact O-N 3.48Å; F520-A524 WeakPolarHBondContact O-CB 3.22Å; F520-A524 PolarHBondContact O-N 3.25Å; F520-V534 HydrophobicContact CE1-CG2 4.02Å; F520-V534 HydrophobicContact CZ-CG1 4.14Å; F520-V534 HydrophobicContact CZ-CG2 4.12Å; F520-L546 HydrophobicContact CE2-CD2 3.89Å; F520-L546 HydrophobicContact CZ-CD2 4.23Å; F520-Q549 HydrophobicContact CD1-CB 4.3Å; F520-Q549 HydrophobicContact CD2-CB 4.12Å; F520-Q549 HydrophobicContact CE1-CB 4.28Å; F520-Q549 HydrophobicContact CE2-CB 4.06Å; F520-Q549 HydrophobicContact CG-CB 4.21Å; F520-Q549 HydrophobicContact CZ-CB 4.14Å; F520-S550 WeakPolarHBondContact CE1-OG 2.99Å; F520-N553 HydrophobicContact CB-CB 3.98Å; F520-N553 HydrophobicContact CD1-CB 4.27Å; F520-F563 HydrophobicContact CB-CZ 4.44Å; F520-F563 HydrophobicContact CD1-CB 4.49Å; F520-F563 AromaticContact CD1-CD1 3.6Å; F520-F563 HydrophobicContact CD1-CD1 3.6Å; F520-F563 HydrophobicContact CD1-CD2 4.04Å; F520-F563 AromaticContact CD1-CE1 3.67Å; F520-F563 HydrophobicContact CD1-CE1 3.67Å; F520-F563 HydrophobicContact CD1-CE2 4.12Å; F520-F563 AromaticContact CD1-CG 3.78Å; F520-F563 HydrophobicContact CD1-CG 3.78Å; F520-F563 AromaticContact CD1-CZ 3.94Å; F520-F563 HydrophobicContact CD1-CZ 3.94Å; F520-F563 HydrophobicContact CE1-CB 4.15Å; F520-F563 AromaticContact CE1-CD1 3.59Å; F520-F563 HydrophobicContact CE1-CD1 3.59Å; F520-F563 HydrophobicContact CE1-CE1 4.07Å; F520-F563 AromaticContact CE1-CG 3.84Å; F520-F563 HydrophobicContact CE1-CG 3.84Å; F520-F563 HydrophobicContact CG-CE1 4.4Å; F520-F563 WeakPolarHBondContact O-CZ 3.38Å
521	K	93.1	Very high	90.7	Very high	78 Å²	78	68.8 Å²	68.8	34%	0.339	33%	0.334	S	S	.	.	H	α-helix	trans	-61.4	-39.1	175.3	-77.2	173.7	176.2	171.5	0	112.5	E517 N518 E519 R525 N553	E517-K521 HydrophobicContact CG-CD 4.2Å; E517-K521 WeakPolarHBondContact O-CB 3.18Å; E517-K521 VanDerWaalsContact O-CG 3.27Å; E517-K521 WeakPolarHBondContact O-CG 3.44Å; E517-K521 PolarHBondContact O-N 2.84Å; E517-K521 IonicContact OE1-NZ 3.84Å; E517-K521 PolarHBondContact OE1-NZ 3.23Å; N518-K521 PolarHBondContact O-N 3.15Å; E519-K521 PolarHBondContact O-N 3.33Å; K521-R525 WeakPolarHBondContact O-CG 3.43Å; K521-R525 PolarHBondContact O-N 2.83Å; K521-N553 WeakPolarHBondContact CG-OD1 3.49Å
522	T	93.5	Very high	91.2	Very high	61 Å²	61	65 Å²	65	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-68	-47.8	179.4	-58.8	0	0	0	0	110.6	N518 E519 F520 A524 R525 Q526	N518-T522 WeakPolarHBondContact O-CB 3.36Å; N518-T522 PolarHBondContact O-N 3.44Å; N518-T522 PolarHBondContact O-OG1 3.3Å; E519-T522 PolarHBondContact O-N 2.79Å; F520-T522 VanDerWaalsContact C-N 3.31Å; F520-T522 PolarHBondContact O-N 3.16Å; T522-A524 VanDerWaalsContact C-N 3.33Å; T522-A524 PolarHBondContact O-N 2.86Å; T522-R525 PolarHBondContact O-N 3.29Å; T522-Q526 WeakPolarHBondContact O-CG 3.41Å; T522-Q526 PolarHBondContact O-N 3.09Å; T522-Q526 VanDerWaalsContact O-N 3.09Å
523	I	93.6	Very high	91.6	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.01	31%	0.311	C	S	.	.	H	α-helix	trans	-63.9	-39.9	178.1	-67.9	170.8	0	0	0	110.9	M405 Y440 E519 F520 R525 Q526 H527 I532 F563	M405-I523 HydrophobicContact CE-CD1 3.49Å; M405-I523 VanDerWaalsContact CE-CD1 3.49Å; M405-I523 HydrophobicContact CG-CD1 3.91Å; M405-I523 HydrophobicContact SD-CD1 3.57Å; M405-I523 VanDerWaalsContact SD-CD1 3.57Å; M405-I523 HydrophobicContact SD-CG2 4.42Å; Y440-I523 HydrophobicContact CD1-CD1 4Å; Y440-I523 HydrophobicContact CD1-CG1 4.18Å; Y440-I523 HydrophobicContact CD2-CD1 4.1Å; Y440-I523 HydrophobicContact CD2-CG1 4.37Å; Y440-I523 HydrophobicContact CE1-CD1 4.34Å; Y440-I523 HydrophobicContact CE1-CG1 4.01Å; Y440-I523 HydrophobicContact CE2-CD1 4.44Å; Y440-I523 HydrophobicContact CE2-CG1 4.22Å; Y440-I523 HydrophobicContact CE2-CG2 4.22Å; Y440-I523 HydrophobicContact CG-CD1 3.87Å; Y440-I523 HydrophobicContact CG-CG1 4.36Å; E519-I523 WeakPolarHBondContact O-CG1 3.4Å; E519-I523 PolarHBondContact O-N 3.26Å; F520-I523 PolarHBondContact O-N 3.48Å; I523-R525 VanDerWaalsContact C-N 3.3Å; I523-R525 PolarHBondContact O-N 3.5Å; I523-Q526 PolarHBondContact O-N 3.19Å; I523-H527 PolarHBondContact O-CD2 2.9Å; I523-H527 PolarHBondContact O-N 3.23Å; I523-I532 HydrophobicContact CG2-CD1 3.5Å; I523-F563 HydrophobicContact CB-CE1 4.46Å; I523-F563 HydrophobicContact CB-CZ 4.42Å; I523-F563 HydrophobicContact CG2-CE1 3.94Å; I523-F563 HydrophobicContact CG2-CZ 4.16Å
524	A	91.9	Very high	91.9	Very high	18 Å²	18	53.7 Å²	53.7	15%	0.149	27%	0.271	C	S	.	.	H	α-helix	trans	-57	-42.3	175.2	0	0	0	0	0	112.5	F520 T522 V561 F563	F520-A524 WeakPolarHBondContact O-CB 3.22Å; F520-A524 PolarHBondContact O-N 3.25Å; T522-A524 VanDerWaalsContact C-N 3.33Å; T522-A524 PolarHBondContact O-N 2.86Å; A524-V561 HydrophobicContact CB-CG1 3.9Å; A524-F563 HydrophobicContact CB-CE2 4.02Å; A524-F563 HydrophobicContact CB-CZ 4.08Å
525	R	91.9	Very high	92.1	Very high	202 Å²	202	53.3 Å²	53.3	76%	0.762	27%	0.269	S	S	*	.	H	α-helix	trans	-70.3	-34.3	177.4	-70.6	172	-173.8	172.7	1.4	112.9	K521 T522 I523	K521-R525 WeakPolarHBondContact O-CG 3.43Å; K521-R525 PolarHBondContact O-N 2.83Å; T522-R525 PolarHBondContact O-N 3.29Å; I523-R525 VanDerWaalsContact C-N 3.3Å; I523-R525 PolarHBondContact O-N 3.5Å
526	Q	91.9	Very high	92.1	Very high	108 Å²	108	49.2 Å²	49.2	51%	0.505	25%	0.247	S	C	.	.	H	α-helix	trans	-75.3	-27.6	-179.4	-72.6	177.4	-2.2	0	0	112.9	Y440 T522 I523 P528	Y440-Q526 PolarHBondContact OH-OE1 3.35Å; T522-Q526 WeakPolarHBondContact O-CG 3.41Å; T522-Q526 PolarHBondContact O-N 3.09Å; T522-Q526 VanDerWaalsContact O-N 3.09Å; I523-Q526 PolarHBondContact O-N 3.19Å; Q526-P528 VanDerWaalsContact C-CD 3.45Å; Q526-P528 WeakPolarHBondContact O-CD 3.29Å
527	H	90.6	Very high	91.9	Very high	32 Å²	32	48.7 Å²	48.7	15%	0.148	25%	0.246	C	C	.	.	S	Bend	trans	-126	63.2	-175	-61.6	-86	0	0	0	111.9	T403 Y440 I523 S530 I532	T403-H527 PolarHBondContact OG1-CE1 2.87Å; T403-H527 PolarHBondContact OG1-ND1 3.35Å; T403-H527 VanDerWaalsContact OG1-ND1 3.16Å; Y440-H527 AromaticContact CE2-NE2 3.58Å; Y440-H527 AromaticContact CZ-NE2 3.66Å; Y440-H527 PolarHBondContact OH-NE2 2.86Å; I523-H527 PolarHBondContact O-CD2 2.9Å; I523-H527 PolarHBondContact O-N 3.23Å; H527-S530 WeakPolarHBondContact O-CB 3.4Å; H527-S530 PolarHBondContact O-N 3.36Å; H527-I532 HydrophobicContact CB-CD1 3.96Å
528	P	87.4	Confident	91.7	Very high	99 Å²	99	45.8 Å²	45.8	64%	0.643	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	139.2	-179.4	28.2	-34.6	0	0	0	110.7	Q526 S530	Q526-P528 VanDerWaalsContact C-CD 3.45Å; Q526-P528 WeakPolarHBondContact O-CD 3.29Å; P528-S530 PolarHBondContact O-N 3.06Å; P528-S530 VanDerWaalsContact O-N 3.16Å
529	G	85.2	Confident	91.5	Very high	45 Å²	45	45.4 Å²	45.4	46%	0.464	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	10.5	178.1	0	0	0	0	0	115.9	R559 G560	G529-R559 WeakPolarHBondContact CA-O 3.4Å; G529-G560 WeakPolarHBondContact CA-O 3.28Å
530	S	87.9	Confident	91.1	Very high	21 Å²	21	46.9 Å²	46.9	15%	0.147	25%	0.248	C	C	.	.			trans	-96.4	150.2	-179	-63.7	0	0	0	0	112.3	H527 P528 V561 H562	H527-S530 WeakPolarHBondContact O-CB 3.4Å; H527-S530 PolarHBondContact O-N 3.36Å; P528-S530 PolarHBondContact O-N 3.06Å; P528-S530 VanDerWaalsContact O-N 3.16Å; S530-V561 WeakPolarHBondContact O-CA 3.5Å; S530-H562 PolarHBondContact O-N 3.05Å
531	R	90	Very high	90.8	Very high	131 Å²	131	49.2 Å²	49.2	49%	0.494	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	113.5	170.5	-61.5	178.9	72.3	-161.2	-0	108.6	H562	R531-H562 CarbonylContact C-O 3.54Å; R531-H562 WeakPolarHBondContact CA-O 3.19Å; R531-H562 HydrophobicContact CG-CB 4.37Å
532	I	93.4	Very high	90.7	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	119.8	-172.1	-53.7	-176.9	0	0	0	109.1	T403 M405 I523 H527 V561 H562 F563 I564	T403-I532 HydrophobicContact CG2-CG1 4.5Å; T403-I532 HydrophobicContact CG2-CG2 4.19Å; T403-I532 WeakPolarHBondContact O-CA 3.3Å; M405-I532 HydrophobicContact CG-CG2 4.03Å; M405-I532 HydrophobicContact SD-CG2 4.31Å; I523-I532 HydrophobicContact CG2-CD1 3.5Å; H527-I532 HydrophobicContact CB-CD1 3.96Å; I532-V561 HydrophobicContact CD1-CG2 3.76Å; I532-V561 HydrophobicContact CG1-CG2 4.25Å; I532-H562 PolarHBondContact N-O 3.16Å; I532-F563 HydrophobicContact CB-CD1 3.9Å; I532-F563 HydrophobicContact CB-CE1 4.1Å; I532-F563 HydrophobicContact CD1-CD1 4.37Å; I532-F563 HydrophobicContact CD1-CE1 3.76Å; I532-F563 HydrophobicContact CD1-CZ 3.97Å; I532-F563 HydrophobicContact CG1-CE1 4.48Å; I532-F563 HydrophobicContact CG2-CD1 3.97Å; I532-F563 HydrophobicContact CG2-CE1 4.02Å; I532-F563 WeakPolarHBondContact O-CA 3.06Å; I532-I564 PolarHBondContact O-N 2.85Å
533	G	93.3	Very high	90.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116	178.1	0	0	0	0	0	110.9	T403 V404 M405	T403-G533 PolarHBondContact O-N 3.33Å; T403-G533 VanDerWaalsContact O-N 3.08Å; V404-G533 CarbonylContact C-O 3.58Å; V404-G533 VanDerWaalsContact CA-O 3.25Å; V404-G533 WeakPolarHBondContact CA-O 3.43Å; M405-G533 PolarHBondContact N-O 2.93Å
534	V	94.6	Very high	90.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	110.2	176	-175.6	0	0	0	0	108.7	M405 F520 F563 I564 F565 N566	M405-V534 HydrophobicContact CB-CG1 4.36Å; M405-V534 HydrophobicContact CB-CG2 4.27Å; M405-V534 HydrophobicContact CG-CG2 4.5Å; M405-V534 CarbonylContact O-C 3.53Å; M405-V534 WeakPolarHBondContact O-CA 3.28Å; M405-V534 HydrophobicContact SD-CG2 3.96Å; F520-V534 HydrophobicContact CE1-CG2 4.02Å; F520-V534 HydrophobicContact CZ-CG1 4.14Å; F520-V534 HydrophobicContact CZ-CG2 4.12Å; V534-F563 HydrophobicContact CG2-CB 4.15Å; V534-F563 HydrophobicContact CG2-CD1 3.82Å; V534-F563 HydrophobicContact CG2-CG 4.48Å; V534-I564 PolarHBondContact N-O 3.08Å; V534-F565 HydrophobicContact CB-CD2 4.29Å; V534-F565 HydrophobicContact CG1-CD2 3.96Å; V534-F565 HydrophobicContact CG1-CE2 4.48Å; V534-F565 CarbonylContact O-C 3.59Å; V534-N566 PolarHBondContact O-N 2.91Å
535	F	94.1	Very high	90.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.2	-178.8	-63.1	-91.5	0	0	0	110	A394 V398 Y401 V404 M405 L406 V407 F416 N566	A394-F535 VanDerWaalsContact O-CE1 3.3Å; A394-F535 WeakPolarHBondContact O-CE1 3.47Å; V398-F535 HydrophobicContact CB-CE2 4.4Å; V398-F535 HydrophobicContact CB-CZ 4.43Å; V398-F535 HydrophobicContact CG2-CD1 4.11Å; V398-F535 HydrophobicContact CG2-CD2 3.84Å; V398-F535 HydrophobicContact CG2-CE1 4Å; V398-F535 HydrophobicContact CG2-CE2 3.7Å; V398-F535 HydrophobicContact CG2-CG 4.03Å; V398-F535 HydrophobicContact CG2-CZ 3.78Å; Y401-F535 HydrophobicContact CD2-CE2 4.03Å; Y401-F535 AromaticContact CD2-CZ 3.9Å; Y401-F535 HydrophobicContact CD2-CZ 3.9Å; Y401-F535 HydrophobicContact CE2-CE2 4.11Å; Y401-F535 AromaticContact CE2-CZ 3.62Å; Y401-F535 HydrophobicContact CE2-CZ 3.62Å; V404-F535 HydrophobicContact CB-CD2 4.43Å; V404-F535 HydrophobicContact CB-CE2 4.38Å; V404-F535 HydrophobicContact CG1-CE2 3.98Å; M405-F535 PolarHBondContact O-N 2.88Å; L406-F535 HydrophobicContact CD2-CB 3.97Å; L406-F535 HydrophobicContact CD2-CD2 3.91Å; L406-F535 HydrophobicContact CD2-CG 4.22Å; V407-F535 PolarHBondContact N-O 2.81Å; F416-F535 HydrophobicContact CE1-CB 3.89Å; F416-F535 HydrophobicContact CZ-CB 4.1Å; F535-N566 CarbonylContact C-O 3.58Å; F535-N566 WeakPolarHBondContact CA-O 3.42Å; F535-N566 HydrophobicContact CD1-CB 3.61Å; F535-N566 HydrophobicContact CE1-CB 3.75Å; F535-N566 HydrophobicContact CG-CB 4.34Å
536	L	93.1	Very high	90.5	Very high	0 Å²	0	40 Å²	40	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	130.5	176.7	171.8	69.5	0	0	0	111	V407 L542 A543 L546 F565 N566 E568	V407-L536 HydrophobicContact CB-CD1 4.06Å; V407-L536 HydrophobicContact CG1-CD1 3.94Å; V407-L536 WeakPolarHBondContact O-CA 3.11Å; V407-L536 WeakPolarHBondContact O-CD1 3.48Å; L536-L542 HydrophobicContact CD1-CD2 3.64Å; L536-L542 HydrophobicContact CD1-CG 3.94Å; L536-L542 HydrophobicContact CD2-CG 4.33Å; 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 4.06Å; L536-L546 HydrophobicContact CD1-CD1 3.86Å; L536-L546 HydrophobicContact CD2-CD1 4.12Å; L536-L546 HydrophobicContact CG-CD1 4.22Å; L536-F565 HydrophobicContact CB-CE2 3.88Å; L536-F565 HydrophobicContact CB-CZ 4.13Å; L536-F565 HydrophobicContact CD2-CE2 4.35Å; L536-F565 HydrophobicContact CD2-CZ 4.02Å; L536-N566 PolarHBondContact N-O 3.39Å; L536-E568 WeakPolarHBondContact O-CB 3.37Å; L536-E568 PolarHBondContact O-N 3.25Å
537	C	90.6	Very high	90.5	Very high	8 Å²	8	36.7 Å²	36.7	5%	0.054	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	101.7	159	176.4	0	0	0	0	110	V407 A409 G412 P415 F416 E568 F570	V407-C537 PolarHBondContact O-N 3.5Å; A409-C537 PolarHBondContact N-O 2.93Å; G412-C537 WeakPolarHBondContact CA-SG 3.25Å; G412-C537 WeakPolarHBondContact O-CB 3.45Å; G412-C537 PolarHBondContact O-SG 3.48Å; P415-C537 HydrophobicContact CG-CB 3.81Å; F416-C537 HydrophobicContact CE2-CB 4.03Å; F416-C537 HydrophobicContact CZ-CB 4.27Å; C537-E568 HydrophobicContact CB-CB 3.86Å; C537-E568 HydrophobicContact CB-CG 3.87Å; C537-F570 HydrophobicContact CB-CE2 4.49Å; C537-F570 WeakPolarHBondContact SG-CE2 3.24Å
538	G	88.6	Confident	90.5	Very high	26 Å²	26	42.2 Å²	42.2	27%	0.268	25%	0.249	S	C	.	.	S	Bend	trans	179.2	-171	-171.4	0	0	0	0	0	114.7
539	P	87.8	Confident	90.7	Very high	77 Å²	77	39.2 Å²	39.2	50%	0.5	23%	0.226	S	C	.	.			trans	-69.5	152	-174.3	28.4	-35	0	0	0	113.2	G541 L542 A543	P539-G541 VanDerWaalsContact C-N 3.29Å; P539-G541 PolarHBondContact O-N 3.3Å; P539-L542 HydrophobicContact CG-CB 4.08Å; P539-L542 WeakPolarHBondContact O-CB 3.29Å; P539-L542 PolarHBondContact O-N 3.26Å; P539-A543 PolarHBondContact O-N 3.44Å; P539-A543 VanDerWaalsContact O-N 3.13Å
540	E	85.4	Confident	91	Very high	77 Å²	77	37 Å²	37	36%	0.36	20%	0.204	S	C	.	.	H	α-helix	trans	-52.9	-41.8	-178.3	-156.5	69.5	-145.6	0	0	113.7	L542 A543 D544 K567	E540-L542 VanDerWaalsContact C-N 3.26Å; E540-L542 PolarHBondContact O-N 3.01Å; E540-A543 WeakPolarHBondContact O-CA 3.41Å; E540-A543 VanDerWaalsContact O-CB 3.28Å; E540-A543 WeakPolarHBondContact O-CB 3.48Å; E540-A543 PolarHBondContact O-N 2.93Å; E540-D544 PolarHBondContact O-N 2.91Å; E540-K567 IonicContact OE1-NZ 2.68Å; E540-K567 PolarHBondContact OE1-NZ 3.37Å; E540-K567 IonicContact OE2-NZ 3.18Å; E540-K567 PolarHBondContact OE2-NZ 2.69Å
541	G	88.4	Confident	91	Very high	48 Å²	48	38.2 Å²	38.2	50%	0.495	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-35	-179.3	0	0	0	0	0	112.7	P539 T545	P539-G541 VanDerWaalsContact C-N 3.29Å; P539-G541 PolarHBondContact O-N 3.3Å; G541-T545 PolarHBondContact O-N 3.35Å; G541-T545 PolarHBondContact O-OG1 2.67Å
542	L	90.9	Very high	91	Very high	22 Å²	22	35.7 Å²	35.7	12%	0.115	21%	0.21	C	C	.	.	H	α-helix	trans	-72.4	-35.8	173.8	179.3	59.1	0	0	0	111	V407 A409 L444 W516 L536 P539 E540 T545 L546	V407-L542 HydrophobicContact CG1-CD2 4.14Å; A409-L542 HydrophobicContact CB-CD2 4.27Å; L444-L542 HydrophobicContact CD2-CD2 4.37Å; W516-L542 HydrophobicContact CZ2-CD1 3.9Å; L536-L542 HydrophobicContact CD1-CD2 3.64Å; L536-L542 HydrophobicContact CD1-CG 3.94Å; L536-L542 HydrophobicContact CD2-CG 4.33Å; P539-L542 HydrophobicContact CG-CB 4.08Å; P539-L542 WeakPolarHBondContact O-CB 3.29Å; P539-L542 PolarHBondContact O-N 3.26Å; E540-L542 VanDerWaalsContact C-N 3.26Å; E540-L542 PolarHBondContact O-N 3.01Å; L542-T545 PolarHBondContact O-N 3.3Å; L542-L546 HydrophobicContact CD1-CD1 4.22Å; L542-L546 HydrophobicContact CD1-CG 4Å; L542-L546 HydrophobicContact CG-CD1 4.12Å; L542-L546 HydrophobicContact CG-CG 4.31Å; L542-L546 WeakPolarHBondContact O-CG 3.42Å; L542-L546 PolarHBondContact O-N 3.2Å
543	A	90.7	Very high	90.8	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-45.2	174.2	0	0	0	0	0	112.1	L536 P539 E540 T545 L546 N547 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 3.44Å; P539-A543 VanDerWaalsContact O-N 3.13Å; E540-A543 WeakPolarHBondContact O-CA 3.41Å; E540-A543 VanDerWaalsContact O-CB 3.28Å; E540-A543 WeakPolarHBondContact O-CB 3.48Å; E540-A543 PolarHBondContact O-N 2.93Å; A543-T545 VanDerWaalsContact C-N 3.32Å; A543-T545 PolarHBondContact O-N 3.49Å; A543-L546 PolarHBondContact O-N 3.27Å; A543-N547 WeakPolarHBondContact O-CB 3.25Å; A543-N547 PolarHBondContact O-N 3.11Å; A543-F565 HydrophobicContact CB-CZ 4.06Å; A543-K567 HydrophobicContact CB-CD 3.82Å; A543-K567 HydrophobicContact CB-CG 4.32Å
544	D	89.8	Confident	90.5	Very high	83 Å²	83	37.3 Å²	37.3	44%	0.444	22%	0.22	S	C	.	.	H	α-helix	trans	-62.1	-41.4	177.1	-67.4	-28.9	0	0	0	111.5	E540 K548	E540-D544 PolarHBondContact O-N 2.91Å; D544-K548 WeakPolarHBondContact O-CB 3.27Å; D544-K548 WeakPolarHBondContact O-CG 3.47Å; D544-K548 PolarHBondContact O-N 3.42Å; D544-K548 VanDerWaalsContact O-N 3.08Å
545	T	93.1	Very high	90	Very high	59 Å²	59	42 Å²	42	36%	0.362	24%	0.242	S	C	.	.	H	α-helix	trans	-64.2	-51.9	176.5	-59.8	0	0	0	0	111.7	W516 G541 L542 A543 N547 K548 Q549	W516-T545 HydrophobicContact CG-CG2 4.5Å; G541-T545 PolarHBondContact O-N 3.35Å; G541-T545 PolarHBondContact O-OG1 2.67Å; L542-T545 PolarHBondContact O-N 3.3Å; A543-T545 VanDerWaalsContact C-N 3.32Å; A543-T545 PolarHBondContact O-N 3.49Å; T545-N547 VanDerWaalsContact C-N 3.34Å; T545-N547 PolarHBondContact O-N 3.22Å; T545-K548 PolarHBondContact O-N 3.23Å; T545-Q549 HydrophobicContact CG2-CG 4.48Å; T545-Q549 WeakPolarHBondContact O-CG 3.01Å; T545-Q549 PolarHBondContact O-N 3.01Å
546	L	93.6	Very high	89.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-66	-36.3	-178.4	-69.4	-178.8	0	0	0	112.4	V407 W516 F520 L536 L542 A543 Q549 S550 F565	V407-L546 HydrophobicContact CB-CD1 3.94Å; V407-L546 HydrophobicContact CG1-CD1 3.96Å; V407-L546 HydrophobicContact CG2-CD1 3.91Å; W516-L546 HydrophobicContact CD2-CD2 3.49Å; W516-L546 VanDerWaalsContact CD2-CD2 3.49Å; W516-L546 HydrophobicContact CE3-CD2 3.65Å; W516-L546 HydrophobicContact CG-CD2 3.96Å; W516-L546 HydrophobicContact CH2-CD2 4.21Å; W516-L546 HydrophobicContact CZ2-CD2 4.06Å; W516-L546 HydrophobicContact CZ3-CD2 4.02Å; F520-L546 HydrophobicContact CE2-CD2 3.89Å; F520-L546 HydrophobicContact CZ-CD2 4.23Å; L536-L546 HydrophobicContact CB-CD1 4.06Å; L536-L546 HydrophobicContact CD1-CD1 3.86Å; L536-L546 HydrophobicContact CD2-CD1 4.12Å; L536-L546 HydrophobicContact CG-CD1 4.22Å; L542-L546 HydrophobicContact CD1-CD1 4.22Å; L542-L546 HydrophobicContact CD1-CG 4Å; L542-L546 HydrophobicContact CG-CD1 4.12Å; L542-L546 HydrophobicContact CG-CG 4.31Å; L542-L546 WeakPolarHBondContact O-CG 3.42Å; L542-L546 PolarHBondContact O-N 3.2Å; A543-L546 PolarHBondContact O-N 3.27Å; L546-Q549 PolarHBondContact O-N 3.21Å; L546-S550 WeakPolarHBondContact O-CB 3.44Å; L546-S550 PolarHBondContact O-N 3.3Å; L546-S550 PolarHBondContact O-OG 3.31Å; L546-F565 HydrophobicContact CB-CD2 4.1Å; L546-F565 HydrophobicContact CB-CE2 3.59Å; L546-F565 HydrophobicContact CB-CZ 4.34Å; L546-F565 HydrophobicContact CD1-CE2 4.36Å
547	N	91.2	Very high	88.5	Confident	40 Å²	40	48.1 Å²	48.1	21%	0.214	28%	0.284	C	S	.	.	H	α-helix	trans	-63.5	-46.1	175.1	-170	35.8	0	0	0	111.1	A543 T545 Q549 S550 I551 F565	A543-N547 WeakPolarHBondContact O-CB 3.25Å; A543-N547 PolarHBondContact O-N 3.11Å; T545-N547 VanDerWaalsContact C-N 3.34Å; T545-N547 PolarHBondContact O-N 3.22Å; N547-Q549 PolarHBondContact O-N 3.31Å; N547-S550 PolarHBondContact O-N 2.9Å; N547-I551 WeakPolarHBondContact O-CG1 3.48Å; N547-I551 PolarHBondContact O-N 3.27Å; N547-F565 HydrophobicContact CB-CD1 3.62Å; N547-F565 HydrophobicContact CB-CE1 3.77Å; N547-F565 HydrophobicContact CB-CG 4.12Å; N547-F565 HydrophobicContact CB-CZ 4.39Å; N547-F565 WeakPolarHBondContact OD1-CD1 3.48Å
548	K	91.1	Very high	87.6	Confident	148 Å²	148	52.6 Å²	52.6	64%	0.643	31%	0.313	S	S	*	.	H	α-helix	trans	-58.5	-46.8	174.9	-75	171.9	-176.6	179.8	0	111.5	D544 T545 S550 I551 S552	D544-K548 WeakPolarHBondContact O-CB 3.27Å; D544-K548 WeakPolarHBondContact O-CG 3.47Å; D544-K548 PolarHBondContact O-N 3.42Å; D544-K548 VanDerWaalsContact O-N 3.08Å; T545-K548 PolarHBondContact O-N 3.23Å; K548-S550 VanDerWaalsContact C-N 3.34Å; K548-S550 PolarHBondContact O-N 2.86Å; K548-I551 PolarHBondContact O-N 3.26Å; K548-S552 WeakPolarHBondContact O-CB 3.1Å; K548-S552 PolarHBondContact O-N 3.49Å; K548-S552 PolarHBondContact O-OG 3.12Å
549	Q	92.6	Very high	87.1	Confident	35 Å²	35	60.9 Å²	60.9	16%	0.164	34%	0.336	C	S	.	.	H	α-helix	trans	-64.5	-37.6	179.1	-68.8	-62.5	-20.9	0	0	112.5	W516 F520 T545 L546 N547 I551 S552 N553	W516-Q549 HydrophobicContact CB-CG 4Å; F520-Q549 HydrophobicContact CD1-CB 4.3Å; F520-Q549 HydrophobicContact CD2-CB 4.12Å; F520-Q549 HydrophobicContact CE1-CB 4.28Å; F520-Q549 HydrophobicContact CE2-CB 4.06Å; F520-Q549 HydrophobicContact CG-CB 4.21Å; F520-Q549 HydrophobicContact CZ-CB 4.14Å; T545-Q549 HydrophobicContact CG2-CG 4.48Å; T545-Q549 WeakPolarHBondContact O-CG 3.01Å; T545-Q549 PolarHBondContact O-N 3.01Å; L546-Q549 PolarHBondContact O-N 3.21Å; N547-Q549 PolarHBondContact O-N 3.31Å; Q549-I551 VanDerWaalsContact C-N 3.34Å; Q549-I551 PolarHBondContact O-N 3.01Å; Q549-S552 WeakPolarHBondContact CA-OG 3.04Å; Q549-S552 PolarHBondContact O-N 3.46Å; Q549-S552 PolarHBondContact O-OG 3.38Å; Q549-N553 WeakPolarHBondContact O-CB 3.21Å; Q549-N553 PolarHBondContact O-N 2.81Å; Q549-N553 PolarHBondContact O-ND2 2.03Å; Q549-N553 PolarHBondContact OE1-ND2 3.37Å
550	S	91.3	Very high	86.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-62.7	-42.9	175.5	-57.9	0	0	0	0	111.2	F520 L546 N547 K548 S554	F520-S550 WeakPolarHBondContact CE1-OG 2.99Å; L546-S550 WeakPolarHBondContact O-CB 3.44Å; L546-S550 PolarHBondContact O-N 3.3Å; L546-S550 PolarHBondContact O-OG 3.31Å; N547-S550 PolarHBondContact O-N 2.9Å; K548-S550 VanDerWaalsContact C-N 3.34Å; K548-S550 PolarHBondContact O-N 2.86Å; S550-S554 WeakPolarHBondContact O-CB 3.36Å; S550-S554 PolarHBondContact O-N 3.28Å; S550-S554 PolarHBondContact O-OG 3.42Å
551	I	88.2	Confident	87	Confident	46 Å²	46	53.9 Å²	53.9	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-69.4	-43.5	179	-64.7	165.9	0	0	0	111.4	N3 N547 K548 Q549	N3-I551 PolarHBondContact ND2-O 2.83Å; N547-I551 WeakPolarHBondContact O-CG1 3.48Å; N547-I551 PolarHBondContact O-N 3.27Å; K548-I551 PolarHBondContact O-N 3.26Å; Q549-I551 VanDerWaalsContact C-N 3.34Å; Q549-I551 PolarHBondContact O-N 3.01Å
552	S	88.9	Confident	87.1	Confident	77 Å²	77	51.9 Å²	51.9	54%	0.538	28%	0.276	S	S	.	.	H	α-helix	trans	-72.1	-30.1	-175.6	60.7	0	0	0	0	114	K548 Q549	K548-S552 WeakPolarHBondContact O-CB 3.1Å; K548-S552 PolarHBondContact O-N 3.49Å; K548-S552 PolarHBondContact O-OG 3.12Å; Q549-S552 WeakPolarHBondContact CA-OG 3.04Å; Q549-S552 PolarHBondContact O-N 3.46Å; Q549-S552 PolarHBondContact O-OG 3.38Å
553	N	89.2	Confident	87.1	Confident	25 Å²	25	50.8 Å²	50.8	13%	0.134	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	3	-178.7	-63.9	-82.1	0	0	0	113.4	F520 K521 Q549 F563	F520-N553 HydrophobicContact CB-CB 3.98Å; F520-N553 HydrophobicContact CD1-CB 4.27Å; K521-N553 WeakPolarHBondContact CG-OD1 3.49Å; Q549-N553 WeakPolarHBondContact O-CB 3.21Å; Q549-N553 PolarHBondContact O-N 2.81Å; Q549-N553 PolarHBondContact O-ND2 2.03Å; Q549-N553 PolarHBondContact OE1-ND2 3.37Å; N553-F563 HydrophobicContact CB-CD2 4.15Å; N553-F563 HydrophobicContact CB-CE2 3.96Å; N553-F563 WeakPolarHBondContact O-CE2 3.47Å
554	S	87.4	Confident	87.1	Confident	9 Å²	9	51 Å²	51	6%	0.063	27%	0.271	C	S	.	.	S	Bend	trans	-79.8	154	167.1	-62.7	0	0	0	0	110.3	N3 S550 V561 F563	N3-S554 PolarHBondContact ND2-O 3.16Å; S550-S554 WeakPolarHBondContact O-CB 3.36Å; S550-S554 PolarHBondContact O-N 3.28Å; S550-S554 PolarHBondContact O-OG 3.42Å; S554-V561 CarbonylContact C-O 3.54Å; S554-V561 WeakPolarHBondContact CA-O 3.16Å; S554-F563 PolarHBondContact OG-N 3.01Å
555	E	84.4	Confident	87.1	Confident	98 Å²	98	48 Å²	48	46%	0.458	25%	0.254	S	S	.	.			trans	-97.6	152.6	175.8	-73.6	179.3	-153.3	0	0	111.9	N3 G560 V561 H562	N3-E555 PolarHBondContact OD1-O 3.07Å; E555-G560 WeakPolarHBondContact OE2-CA 3.18Å; E555-V561 HydrophobicContact CG-CG1 4.19Å; E555-V561 PolarHBondContact N-O 3.31Å; E555-H562 PolarHBondContact O-CE1 2.93Å; E555-H562 PolarHBondContact O-ND1 3.47Å
556	A	76.6	Confident	86.9	Confident	68 Å²	68	45.4 Å²	45.4	56%	0.562	24%	0.238	S	C	*	.	S	Bend	trans	-78.5	-23.6	179.8	0	0	0	0	0	113.5	N3	N3-A556 WeakPolarHBondContact OD1-CA 3.11Å; N3-A556 PolarHBondContact OD1-N 3.43Å; N3-A556 VanDerWaalsContact OD1-N 3.1Å
557	D	78.9	Confident	86.4	Confident	62 Å²	62	47.4 Å²	47.4	33%	0.332	25%	0.246	S	C	.	.	S	Bend	trans	-72.4	127.4	173.7	-170.8	-27.9	0	0	0	108.8	R559 G560 H562	D557-R559 PolarHBondContact O-N 3.49Å; D557-R559 WeakPolarHBondContact OD1-CB 3.44Å; D557-R559 PolarHBondContact OD1-N 2.93Å; D557-R559 IonicContact OD1-NE 3.52Å; D557-R559 PolarHBondContact OD1-NE 3.39Å; D557-R559 IonicContact OD1-NH2 3.69Å; D557-R559 IonicContact OD2-CZ 2.78Å; D557-R559 IonicContact OD2-NE 3.92Å; D557-R559 PolarHBondContact OD2-NE 3.11Å; D557-R559 IonicContact OD2-NH2 3.69Å; D557-R559 PolarHBondContact OD2-NH2 3.25Å; D557-G560 PolarHBondContact O-N 3.22Å; D557-H562 PolarHBondContact O-CE1 3.42Å; D557-H562 PolarHBondContact O-NE2 3.41Å
558	P	72.3	Confident	85.8	Confident	102 Å²	102	46 Å²	46	66%	0.662	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-20.5	172.6	-27	35.4	0	0	0	114.8
559	R	77.8	Confident	84.5	Confident	199 Å²	199	42.1 Å²	42.1	75%	0.751	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-5.5	175.9	-59.1	172.2	-65.6	173.9	6.1	113.7	G529 D557	G529-R559 WeakPolarHBondContact CA-O 3.4Å; D557-R559 PolarHBondContact O-N 3.49Å; D557-R559 WeakPolarHBondContact OD1-CB 3.44Å; D557-R559 PolarHBondContact OD1-N 2.93Å; D557-R559 IonicContact OD1-NE 3.52Å; D557-R559 PolarHBondContact OD1-NE 3.39Å; D557-R559 IonicContact OD1-NH2 3.69Å; D557-R559 IonicContact OD2-CZ 2.78Å; D557-R559 IonicContact OD2-NE 3.92Å; D557-R559 PolarHBondContact OD2-NE 3.11Å; D557-R559 IonicContact OD2-NH2 3.69Å; D557-R559 PolarHBondContact OD2-NH2 3.25Å
560	G	82.2	Confident	82.8	Confident	5 Å²	5	45.7 Å²	45.7	5%	0.052	24%	0.24	C	C	.	.	S	Bend	trans	-80.3	-177.6	176.1	0	0	0	0	0	112.9	G529 E555 D557 H562	G529-G560 WeakPolarHBondContact CA-O 3.28Å; E555-G560 WeakPolarHBondContact OE2-CA 3.18Å; D557-G560 PolarHBondContact O-N 3.22Å; G560-H562 PolarHBondContact O-CD2 3.06Å; G560-H562 PolarHBondContact O-NE2 2.94Å
561	V	88.4	Confident	82.4	Confident	2 Å²	2	48 Å²	48	1%	0.012	25%	0.252	C	S	.	.			trans	-76.8	136.4	174.8	65.4	0	0	0	0	111.1	A524 S530 I532 S554 E555 F563	A524-V561 HydrophobicContact CB-CG1 3.9Å; S530-V561 WeakPolarHBondContact O-CA 3.5Å; I532-V561 HydrophobicContact CD1-CG2 3.76Å; I532-V561 HydrophobicContact CG1-CG2 4.25Å; S554-V561 CarbonylContact C-O 3.54Å; S554-V561 WeakPolarHBondContact CA-O 3.16Å; E555-V561 HydrophobicContact CG-CG1 4.19Å; E555-V561 PolarHBondContact N-O 3.31Å; V561-F563 HydrophobicContact CG1-CE2 4.44Å; V561-F563 HydrophobicContact CG2-CE2 4.07Å; V561-F563 HydrophobicContact CG2-CZ 4.4Å
562	H	89.8	Confident	82.1	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.028	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.3	-179.5	-66.4	-82.6	0	0	0	111.3	E6 S530 R531 I532 E555 D557 G560	E6-H562 IonicContact OE2-CE1 3.89Å; E6-H562 IonicContact OE2-CG 2.88Å; E6-H562 IonicContact OE2-ND1 3.9Å; E6-H562 PolarHBondContact OE2-ND1 3.08Å; S530-H562 PolarHBondContact O-N 3.05Å; R531-H562 CarbonylContact C-O 3.54Å; R531-H562 WeakPolarHBondContact CA-O 3.19Å; R531-H562 HydrophobicContact CG-CB 4.37Å; I532-H562 PolarHBondContact N-O 3.16Å; E555-H562 PolarHBondContact O-CE1 2.93Å; E555-H562 PolarHBondContact O-ND1 3.47Å; D557-H562 PolarHBondContact O-CE1 3.42Å; D557-H562 PolarHBondContact O-NE2 3.41Å; G560-H562 PolarHBondContact O-CD2 3.06Å; G560-H562 PolarHBondContact O-NE2 2.94Å
563	F	92	Very high	81.7	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	120.1	173.3	-66.5	-89.6	0	0	0	110.3	N7 M405 F520 I523 A524 I532 V534 N553 S554 V561	N7-F563 PolarHBondContact ND2-O 3.38Å; M405-F563 HydrophobicContact SD-CD1 4.02Å; M405-F563 HydrophobicContact SD-CE1 3.74Å; F520-F563 HydrophobicContact CB-CZ 4.44Å; F520-F563 HydrophobicContact CD1-CB 4.49Å; F520-F563 AromaticContact CD1-CD1 3.6Å; F520-F563 HydrophobicContact CD1-CD1 3.6Å; F520-F563 HydrophobicContact CD1-CD2 4.04Å; F520-F563 AromaticContact CD1-CE1 3.67Å; F520-F563 HydrophobicContact CD1-CE1 3.67Å; F520-F563 HydrophobicContact CD1-CE2 4.12Å; F520-F563 AromaticContact CD1-CG 3.78Å; F520-F563 HydrophobicContact CD1-CG 3.78Å; F520-F563 AromaticContact CD1-CZ 3.94Å; F520-F563 HydrophobicContact CD1-CZ 3.94Å; F520-F563 HydrophobicContact CE1-CB 4.15Å; F520-F563 AromaticContact CE1-CD1 3.59Å; F520-F563 HydrophobicContact CE1-CD1 3.59Å; F520-F563 HydrophobicContact CE1-CE1 4.07Å; F520-F563 AromaticContact CE1-CG 3.84Å; F520-F563 HydrophobicContact CE1-CG 3.84Å; F520-F563 HydrophobicContact CG-CE1 4.4Å; F520-F563 WeakPolarHBondContact O-CZ 3.38Å; I523-F563 HydrophobicContact CB-CE1 4.46Å; I523-F563 HydrophobicContact CB-CZ 4.42Å; I523-F563 HydrophobicContact CG2-CE1 3.94Å; I523-F563 HydrophobicContact CG2-CZ 4.16Å; A524-F563 HydrophobicContact CB-CE2 4.02Å; A524-F563 HydrophobicContact CB-CZ 4.08Å; I532-F563 HydrophobicContact CB-CD1 3.9Å; I532-F563 HydrophobicContact CB-CE1 4.1Å; I532-F563 HydrophobicContact CD1-CD1 4.37Å; I532-F563 HydrophobicContact CD1-CE1 3.76Å; I532-F563 HydrophobicContact CD1-CZ 3.97Å; I532-F563 HydrophobicContact CG1-CE1 4.48Å; I532-F563 HydrophobicContact CG2-CD1 3.97Å; I532-F563 HydrophobicContact CG2-CE1 4.02Å; I532-F563 WeakPolarHBondContact O-CA 3.06Å; V534-F563 HydrophobicContact CG2-CB 4.15Å; V534-F563 HydrophobicContact CG2-CD1 3.82Å; V534-F563 HydrophobicContact CG2-CG 4.48Å; N553-F563 HydrophobicContact CB-CD2 4.15Å; N553-F563 HydrophobicContact CB-CE2 3.96Å; N553-F563 WeakPolarHBondContact O-CE2 3.47Å; S554-F563 PolarHBondContact OG-N 3.01Å; V561-F563 HydrophobicContact CG1-CE2 4.44Å; V561-F563 HydrophobicContact CG2-CE2 4.07Å; V561-F563 HydrophobicContact CG2-CZ 4.4Å
564	I	89.8	Confident	81.3	Confident	7 Å²	7	47.8 Å²	47.8	4%	0.036	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	104.3	-178.5	-50.6	-160.9	0	0	0	108.9	Y401 I532 V534 N566	Y401-I564 HydrophobicContact CE1-CB 4.06Å; Y401-I564 HydrophobicContact CE1-CD1 3.92Å; Y401-I564 HydrophobicContact CE1-CG1 4.18Å; Y401-I564 WeakPolarHBondContact OH-CG2 3.41Å; I532-I564 PolarHBondContact O-N 2.85Å; V534-I564 PolarHBondContact N-O 3.08Å; I564-N566 PolarHBondContact O-ND2 3.24Å; I564-N566 VanDerWaalsContact O-ND2 3.1Å
565	F	90.4	Very high	80.9	Confident	20 Å²	20	50.2 Å²	50.2	9%	0.088	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128	-179.2	-175	-111.6	0	0	0	112.1	V534 L536 A543 L546 N547 K567	V534-F565 HydrophobicContact CB-CD2 4.29Å; V534-F565 HydrophobicContact CG1-CD2 3.96Å; V534-F565 HydrophobicContact CG1-CE2 4.48Å; V534-F565 CarbonylContact O-C 3.59Å; L536-F565 HydrophobicContact CB-CE2 3.88Å; L536-F565 HydrophobicContact CB-CZ 4.13Å; L536-F565 HydrophobicContact CD2-CE2 4.35Å; L536-F565 HydrophobicContact CD2-CZ 4.02Å; A543-F565 HydrophobicContact CB-CZ 4.06Å; L546-F565 HydrophobicContact CB-CD2 4.1Å; L546-F565 HydrophobicContact CB-CE2 3.59Å; L546-F565 HydrophobicContact CB-CZ 4.34Å; L546-F565 HydrophobicContact CD1-CE2 4.36Å; N547-F565 HydrophobicContact CB-CD1 3.62Å; N547-F565 HydrophobicContact CB-CE1 3.77Å; N547-F565 HydrophobicContact CB-CG 4.12Å; N547-F565 HydrophobicContact CB-CZ 4.39Å; N547-F565 WeakPolarHBondContact OD1-CD1 3.48Å; F565-K567 HydrophobicContact CE1-CB 3.92Å; F565-K567 HydrophobicContact CZ-CB 4.04Å
566	N	88.4	Confident	80.6	Confident	4 Å²	4	47 Å²	47	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	124.8	178.5	-61.4	-68.7	0	0	0	108.4	A394 V534 F535 L536 I564	A394-N566 HydrophobicContact CB-CB 4.1Å; V534-N566 PolarHBondContact O-N 2.91Å; F535-N566 CarbonylContact C-O 3.58Å; F535-N566 WeakPolarHBondContact CA-O 3.42Å; F535-N566 HydrophobicContact CD1-CB 3.61Å; F535-N566 HydrophobicContact CE1-CB 3.75Å; F535-N566 HydrophobicContact CG-CB 4.34Å; L536-N566 PolarHBondContact N-O 3.39Å; I564-N566 PolarHBondContact O-ND2 3.24Å; I564-N566 VanDerWaalsContact O-ND2 3.1Å
567	K	84.3	Confident	80.9	Confident	42 Å²	42	45.5 Å²	45.5	18%	0.183	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	127.8	-178.5	-174.3	-165.6	174.5	-162.8	0	109.7	E540 A543 F565	E540-K567 IonicContact OE1-NZ 2.68Å; E540-K567 PolarHBondContact OE1-NZ 3.37Å; E540-K567 IonicContact OE2-NZ 3.18Å; E540-K567 PolarHBondContact OE2-NZ 2.69Å; A543-K567 HydrophobicContact CB-CD 3.82Å; A543-K567 HydrophobicContact CB-CG 4.32Å; F565-K567 HydrophobicContact CE1-CB 3.92Å; F565-K567 HydrophobicContact CZ-CB 4.04Å
568	E	78.4	Confident	81.1	Confident	10 Å²	10	44.2 Å²	44.2	5%	0.047	21%	0.21	C	C	.	.			trans	-69.5	129.4	168.1	-65.1	-57	146.2	0	0	110.5	T393 A394 S395 L536 C537 F570	T393-E568 VanDerWaalsContact CB-OE2 3.24Å; T393-E568 WeakPolarHBondContact CB-OE2 3.02Å; A394-E568 PolarHBondContact N-OE1 3.18Å; S395-E568 WeakPolarHBondContact CA-OE1 3.45Å; S395-E568 VanDerWaalsContact CB-OE1 3.27Å; S395-E568 WeakPolarHBondContact CB-OE1 3.42Å; S395-E568 PolarHBondContact N-OE1 3.09Å; S395-E568 VanDerWaalsContact OG-CD 3.27Å; S395-E568 PolarHBondContact OG-OE1 2.7Å; L536-E568 WeakPolarHBondContact O-CB 3.37Å; L536-E568 PolarHBondContact O-N 3.25Å; C537-E568 HydrophobicContact CB-CB 3.86Å; C537-E568 HydrophobicContact CB-CG 3.87Å; E568-F570 HydrophobicContact CB-CD2 4.27Å; E568-F570 HydrophobicContact CB-CE2 3.6Å; E568-F570 HydrophobicContact CB-CZ 4.13Å; E568-F570 HydrophobicContact CG-CE2 4.27Å; E568-F570 HydrophobicContact CG-CZ 4.48Å
569	N	63.8	Low	81.8	Confident	68 Å²	68	39.4 Å²	39.4	36%	0.364	17%	0.172	S	C	.	.			trans	-117.1	102.2	177.7	-65.6	-58.6	0	0	0	108.5
570	F	56.7	Low	82.2	Confident	110 Å²	110	24.9 Å²	24.9	48%	0.482	12%	0.119	S	C	.	.			trans	-97.7	0	170.1	-58.5	-70.9	0	0	0	110.8	Y324 T341 T393 P415 C537 E568	Y324-F570 HydrophobicContact CD1-CD1 4.42Å; Y324-F570 HydrophobicContact CD1-CE1 4.13Å; Y324-F570 HydrophobicContact CG-CD1 4.27Å; Y324-F570 HydrophobicContact CG-CE1 4.15Å; T341-F570 HydrophobicContact CG2-CE1 4.43Å; T341-F570 HydrophobicContact CG2-CZ 4.22Å; T341-F570 WeakPolarHBondContact OG1-CE1 3.37Å; T341-F570 WeakPolarHBondContact OG1-CZ 3.32Å; T393-F570 HydrophobicContact CG2-CE1 4.46Å; P415-F570 HydrophobicContact CG-CZ 4.49Å; C537-F570 HydrophobicContact CB-CE2 4.49Å; C537-F570 WeakPolarHBondContact SG-CE2 3.24Å; E568-F570 HydrophobicContact CB-CD2 4.27Å; E568-F570 HydrophobicContact CB-CE2 3.6Å; E568-F570 HydrophobicContact CB-CZ 4.13Å; E568-F570 HydrophobicContact CG-CE2 4.27Å; E568-F570 HydrophobicContact CG-CZ 4.48Å

Retrieved 570 of 570 residues in 179.7 ms (Link to these results)

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