A0A096MRV2_PAPAN Loading...

NADPH oxidase 2

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

AlphaFold DB (A0A2K5U3G2), UniProt , Accession A0A096MRV2, Species PAPAN (Papio anubis, Olive baboon), Gene CYBB, 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	42.2	Very low	64.5	Low	219 Å²	219	61.2 Å²	61.2	100%	1.079	34%	0.344	S	S	*	.				0	-24.7	0	-66.6	-172.1	-152.2	0	0	113.6
2	G	48	Very low	66.3	Low	32 Å²	32	59.6 Å²	59.6	33%	0.33	33%	0.333	S	S	.	.	H	α-helix	trans	-63.8	-40.9	-178.8	0	0	0	0	0	115.5	W4 A5	G2-W4 PolarHBondContact O-N 2.89Å; G2-A5 PolarHBondContact O-N 3.17Å
3	N	55.3	Low	68	Low	30 Å²	30	65.2 Å²	65.2	16%	0.16	35%	0.352	C	S	.	.	H	α-helix	trans	-58.7	-33.5	-176.7	-59	-3.2	0	0	0	113.9	I551 S554 E555 S556	N3-I551 PolarHBondContact ND2-O 2.99Å; N3-S554 VanDerWaalsContact CG-O 3.22Å; N3-S554 PolarHBondContact ND2-O 3.35Å; N3-S554 PolarHBondContact OD1-O 3.26Å; N3-E555 PolarHBondContact OD1-O 3.2Å; N3-E555 VanDerWaalsContact OD1-O 3.1Å; N3-S556 PolarHBondContact N-OG 2.77Å; N3-S556 WeakPolarHBondContact OD1-CA 3.42Å; N3-S556 WeakPolarHBondContact OD1-CB 3.04Å; N3-S556 PolarHBondContact OD1-N 3.37Å; N3-S556 PolarHBondContact OD1-OG 2.05Å
4	W	61	Low	69.6	Low	133 Å²	133	64.1 Å²	64.1	50%	0.504	35%	0.349	S	S	.	.	H	α-helix	trans	-79.6	-37.3	-175.2	-178.4	86.3	0	0	0	112.1	G2 V6 N7 E8 I12	G2-W4 PolarHBondContact O-N 2.89Å; W4-V6 VanDerWaalsContact C-N 3.26Å; W4-V6 PolarHBondContact O-N 3.23Å; W4-N7 PolarHBondContact O-N 2.97Å; W4-E8 HydrophobicContact CD2-CB 4.24Å; W4-E8 WeakPolarHBondContact O-CB 3.24Å; W4-E8 PolarHBondContact O-N 3.13Å; W4-I12 HydrophobicContact CD2-CD1 4.44Å; W4-I12 HydrophobicContact CE3-CD1 4.38Å; W4-I12 HydrophobicContact CH2-CD1 2.95Å; W4-I12 HydrophobicContact CH2-CG1 4.32Å; W4-I12 HydrophobicContact CH2-CG2 4.43Å; W4-I12 HydrophobicContact CZ2-CD1 2.93Å; W4-I12 HydrophobicContact CZ2-CG1 4.4Å; W4-I12 HydrophobicContact CZ3-CD1 3.69Å
5	A	61.8	Low	71.1	Confident	56 Å²	56	62.5 Å²	62.5	46%	0.463	34%	0.339	S	S	.	.	H	α-helix	trans	-62.1	-33.3	177.4	0	0	0	0	0	112.5	G2 G9	G2-A5 PolarHBondContact O-N 3.17Å; A5-G9 VanDerWaalsContact O-CA 3.29Å; A5-G9 WeakPolarHBondContact O-CA 3.49Å; A5-G9 PolarHBondContact O-N 3.41Å
6	V	62.5	Low	72.5	Confident	54 Å²	54	65.3 Å²	65.3	33%	0.327	35%	0.353	S	S	.	.	H	α-helix	trans	-66.8	-38.3	178.3	178.6	0	0	0	0	112	W4 R92	W4-V6 VanDerWaalsContact C-N 3.26Å; W4-V6 PolarHBondContact O-N 3.23Å; V6-R92 PolarHBondContact O-NH2 2.86Å
7	N	63.6	Low	73.9	Confident	8 Å²	8	65.4 Å²	65.4	4%	0.043	36%	0.356	C	S	.	.	H	α-helix	trans	-92.8	-30.9	-177.1	-81.6	-27.5	0	0	0	114.2	W4 R92 F563	W4-N7 PolarHBondContact O-N 2.97Å; N7-R92 PolarHBondContact O-NH1 3.38Å; N7-R92 PolarHBondContact O-NH2 3.48Å; N7-R92 PolarHBondContact OD1-NH1 2.98Å; N7-R92 VanDerWaalsContact OD1-NH1 3.11Å; N7-F563 PolarHBondContact ND2-O 3Å
8	E	73.4	Confident	75.2	Confident	39 Å²	39	62.8 Å²	62.8	18%	0.182	34%	0.34	C	S	.	.	H	α-helix	trans	-119.4	-12	-170.3	-61.3	-62.2	144.1	0	0	113.6	W4 L10 S11 I12 R96	W4-E8 HydrophobicContact CD2-CB 4.24Å; W4-E8 WeakPolarHBondContact O-CB 3.24Å; W4-E8 PolarHBondContact O-N 3.13Å; E8-L10 PolarHBondContact O-N 3.48Å; E8-S11 WeakPolarHBondContact O-CB 3.45Å; E8-S11 PolarHBondContact O-N 2.93Å; E8-S11 VanDerWaalsContact O-N 3.07Å; E8-I12 HydrophobicContact CB-CD1 3.79Å; E8-I12 HydrophobicContact CB-CG1 4.38Å; E8-I12 WeakPolarHBondContact O-CG1 3.44Å; E8-I12 PolarHBondContact O-N 2.98Å; E8-R96 VanDerWaalsContact CD-NH2 3.27Å; E8-R96 IonicContact OE1-CZ 3.91Å; E8-R96 IonicContact OE1-NH1 3.5Å; E8-R96 IonicContact OE1-NH2 3.85Å; E8-R96 PolarHBondContact OE1-NH2 2.87Å; E8-R96 IonicContact OE2-CZ 2.88Å; E8-R96 VanDerWaalsContact OE2-CZ 3.29Å; E8-R96 IonicContact OE2-NH1 3.58Å; E8-R96 PolarHBondContact OE2-NH1 2.82Å; E8-R96 IonicContact OE2-NH2 3.01Å; E8-R96 PolarHBondContact OE2-NH2 2.85Å; E8-R96 VanDerWaalsContact OE2-NH2 3.11Å
9	G	78.8	Confident	76.3	Confident	27 Å²	27	62.9 Å²	62.9	28%	0.278	34%	0.34	S	S	.	.	H	α-helix	trans	-55.3	-49.4	-167.4	0	0	0	0	0	114.9	A5 S11 I12 F13	A5-G9 VanDerWaalsContact O-CA 3.29Å; A5-G9 WeakPolarHBondContact O-CA 3.49Å; A5-G9 PolarHBondContact O-N 3.41Å; G9-S11 PolarHBondContact O-N 2.77Å; G9-I12 PolarHBondContact O-N 3.33Å; G9-F13 WeakPolarHBondContact O-CB 3.45Å; G9-F13 PolarHBondContact O-N 3.27Å
10	L	81.5	Confident	77.4	Confident	62 Å²	62	61.9 Å²	61.9	33%	0.325	35%	0.345	S	S	.	.	H	α-helix	trans	-65	-40.2	178.6	-178.4	64.1	0	0	0	112	E8 I12 F13 V14 R89 V90 Q93	E8-L10 PolarHBondContact O-N 3.48Å; L10-I12 VanDerWaalsContact C-N 3.26Å; L10-I12 PolarHBondContact O-N 3.03Å; L10-F13 PolarHBondContact O-N 2.83Å; L10-V14 HydrophobicContact CD1-CG2 4.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.49Å; L10-V14 PolarHBondContact O-N 3.23Å; L10-R89 HydrophobicContact CD2-CB 4.39Å; L10-V90 HydrophobicContact CD2-CG2 4.12Å; L10-Q93 HydrophobicContact CD2-CB 4.09Å
11	S	81.7	Confident	78.3	Confident	13 Å²	13	62.5 Å²	62.5	9%	0.091	35%	0.347	C	S	.	.	H	α-helix	trans	-61.9	-40.5	179.1	-175.6	0	0	0	0	111.3	E8 G9 I15 Q93 R96	E8-S11 WeakPolarHBondContact O-CB 3.45Å; E8-S11 PolarHBondContact O-N 2.93Å; E8-S11 VanDerWaalsContact O-N 3.07Å; G9-S11 PolarHBondContact O-N 2.77Å; S11-I15 WeakPolarHBondContact O-CD1 3.26Å; S11-I15 VanDerWaalsContact O-CG1 3.23Å; S11-I15 WeakPolarHBondContact O-CG1 3.09Å; S11-I15 PolarHBondContact O-N 3.26Å; S11-I15 VanDerWaalsContact O-N 3.09Å; S11-Q93 PolarHBondContact OG-OE1 3.44Å; S11-R96 PolarHBondContact OG-NH1 3.41Å
12	I	85.3	Confident	81	Confident	42 Å²	42	52.3 Å²	52.3	22%	0.215	30%	0.297	C	S	.	.	H	α-helix	trans	-75.7	-40	-178.4	-66.8	177.1	0	0	0	110.7	W4 E8 G9 L10 V14 I15 L16	W4-I12 HydrophobicContact CD2-CD1 4.44Å; W4-I12 HydrophobicContact CE3-CD1 4.38Å; W4-I12 HydrophobicContact CH2-CD1 2.95Å; W4-I12 HydrophobicContact CH2-CG1 4.32Å; W4-I12 HydrophobicContact CH2-CG2 4.43Å; W4-I12 HydrophobicContact CZ2-CD1 2.93Å; W4-I12 HydrophobicContact CZ2-CG1 4.4Å; W4-I12 HydrophobicContact CZ3-CD1 3.69Å; E8-I12 HydrophobicContact CB-CD1 3.79Å; E8-I12 HydrophobicContact CB-CG1 4.38Å; E8-I12 WeakPolarHBondContact O-CG1 3.44Å; E8-I12 PolarHBondContact O-N 2.98Å; G9-I12 PolarHBondContact O-N 3.33Å; L10-I12 VanDerWaalsContact C-N 3.26Å; L10-I12 PolarHBondContact O-N 3.03Å; I12-V14 VanDerWaalsContact C-N 3.31Å; I12-V14 PolarHBondContact O-N 3.05Å; I12-I15 PolarHBondContact O-N 2.95Å; I12-I15 VanDerWaalsContact O-N 3.17Å; I12-L16 HydrophobicContact CG2-CD1 3.88Å; I12-L16 HydrophobicContact CG2-CG 4.11Å; I12-L16 WeakPolarHBondContact O-CB 3.31Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.39Å; I12-L16 PolarHBondContact O-N 3.2Å
13	F	89.5	Confident	83.4	Confident	133 Å²	133	55.2 Å²	55.2	58%	0.583	31%	0.308	S	S	*	.	H	α-helix	trans	-54.3	-48.6	171.2	177.5	-101.7	0	0	0	111.5	G9 L10 I15 L16 V17	G9-F13 WeakPolarHBondContact O-CB 3.45Å; G9-F13 PolarHBondContact O-N 3.27Å; L10-F13 PolarHBondContact O-N 2.83Å; F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 3.3Å; F13-L16 PolarHBondContact O-N 3.34Å; F13-V17 HydrophobicContact CD1-CG2 4.34Å; F13-V17 HydrophobicContact CD2-CG2 4.35Å; F13-V17 HydrophobicContact CE1-CG2 3.93Å; F13-V17 HydrophobicContact CE2-CG2 3.93Å; F13-V17 HydrophobicContact CZ-CG2 3.71Å; F13-V17 VanDerWaalsContact O-CG2 3.31Å; F13-V17 WeakPolarHBondContact O-CG2 3.26Å; F13-V17 PolarHBondContact O-N 3.13Å
14	V	89.9	Confident	85.4	Confident	50 Å²	50	59.3 Å²	59.3	30%	0.303	33%	0.325	S	S	.	.	H	α-helix	trans	-60.4	-42.8	177.1	171.9	0	0	0	0	111.7	L10 I12 W18 Q93	L10-V14 HydrophobicContact CD1-CG2 4.49Å; L10-V14 WeakPolarHBondContact O-CG2 3.49Å; L10-V14 PolarHBondContact O-N 3.23Å; I12-V14 VanDerWaalsContact C-N 3.31Å; I12-V14 PolarHBondContact O-N 3.05Å; V14-W18 WeakPolarHBondContact O-CB 3.47Å; V14-W18 PolarHBondContact O-N 3.36Å; V14-Q93 HydrophobicContact CG2-CG 4.34Å
15	I	91.8	Very high	87.2	Confident	39 Å²	39	54 Å²	54	20%	0.2	31%	0.306	C	S	.	.	H	α-helix	trans	-64.5	-44.5	177.3	-68.5	164.1	0	0	0	111	S11 I12 F13 W18 L19 M103	S11-I15 WeakPolarHBondContact O-CD1 3.26Å; S11-I15 VanDerWaalsContact O-CG1 3.23Å; S11-I15 WeakPolarHBondContact O-CG1 3.09Å; S11-I15 PolarHBondContact O-N 3.26Å; S11-I15 VanDerWaalsContact O-N 3.09Å; I12-I15 PolarHBondContact O-N 2.95Å; I12-I15 VanDerWaalsContact O-N 3.17Å; F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 3.3Å; I15-W18 HydrophobicContact CG2-CE3 4.49Å; I15-W18 PolarHBondContact O-N 3.08Å; I15-L19 HydrophobicContact CG2-CD1 3.92Å; I15-L19 HydrophobicContact CG2-CG 4.32Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 WeakPolarHBondContact O-CG 3.4Å; I15-L19 PolarHBondContact O-N 3.32Å; I15-M103 HydrophobicContact CD1-CE 3.79Å; I15-M103 HydrophobicContact CD1-SD 4.12Å; I15-M103 HydrophobicContact CG1-CE 3.83Å; I15-M103 HydrophobicContact CG1-SD 4.4Å
16	L	93.8	Very high	88.9	Confident	108 Å²	108	53.8 Å²	53.8	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-64.7	-41	179.2	-72.2	176	0	0	0	111.7	I12 F13 L19 G20	I12-L16 HydrophobicContact CG2-CD1 3.88Å; I12-L16 HydrophobicContact CG2-CG 4.11Å; I12-L16 WeakPolarHBondContact O-CB 3.31Å; I12-L16 VanDerWaalsContact O-CG 3.28Å; I12-L16 WeakPolarHBondContact O-CG 3.39Å; I12-L16 PolarHBondContact O-N 3.2Å; F13-L16 PolarHBondContact O-N 3.34Å; L16-L19 PolarHBondContact O-N 3.39Å; L16-G20 PolarHBondContact O-N 2.88Å
17	V	95.6	Very high	90.6	Very high	67 Å²	67	54.8 Å²	54.8	41%	0.406	30%	0.301	S	S	.	.	H	α-helix	trans	-62.1	-46.8	173.8	170.6	0	0	0	0	110.5	F13 L19 G20 L21	F13-V17 HydrophobicContact CD1-CG2 4.34Å; F13-V17 HydrophobicContact CD2-CG2 4.35Å; F13-V17 HydrophobicContact CE1-CG2 3.93Å; F13-V17 HydrophobicContact CE2-CG2 3.93Å; F13-V17 HydrophobicContact CZ-CG2 3.71Å; F13-V17 VanDerWaalsContact O-CG2 3.31Å; F13-V17 WeakPolarHBondContact O-CG2 3.26Å; F13-V17 PolarHBondContact O-N 3.13Å; V17-L19 PolarHBondContact O-N 2.81Å; V17-G20 PolarHBondContact O-N 2.96Å; V17-L21 HydrophobicContact CG1-CD1 4.17Å; V17-L21 WeakPolarHBondContact O-CG 3.31Å; V17-L21 PolarHBondContact O-N 3.36Å
18	W	97.1	Very high	92.2	Very high	18 Å²	18	61.4 Å²	61.4	7%	0.068	33%	0.325	C	S	.	.	H	α-helix	trans	-62.1	-42.4	177.3	166.5	73.5	0	0	0	112.8	V14 I15 L21 N22 F62 N63 F100 M103 V104 M107	V14-W18 WeakPolarHBondContact O-CB 3.47Å; V14-W18 PolarHBondContact O-N 3.36Å; I15-W18 HydrophobicContact CG2-CE3 4.49Å; I15-W18 PolarHBondContact O-N 3.08Å; W18-L21 PolarHBondContact O-N 3.5Å; W18-N22 PolarHBondContact NE1-ND2 3.19Å; W18-N22 VanDerWaalsContact NE1-ND2 3.19Å; W18-N22 PolarHBondContact O-N 2.94Å; W18-N22 VanDerWaalsContact O-N 3.11Å; W18-N22 PolarHBondContact O-ND2 2.96Å; W18-F62 AromaticContact CD1-CE1 3.7Å; W18-N63 PolarHBondContact NE1-OD1 3.17Å; W18-F100 HydrophobicContact CB-CE2 4.24Å; W18-F100 HydrophobicContact CB-CZ 4.47Å; W18-F100 HydrophobicContact CD2-CE2 4.04Å; W18-F100 HydrophobicContact CD2-CZ 4.46Å; W18-F100 HydrophobicContact CE3-CE2 4.44Å; W18-F100 AromaticContact CG-CE2 3.93Å; W18-F100 HydrophobicContact CG-CE2 3.93Å; W18-F100 HydrophobicContact CG-CZ 4.05Å; W18-M103 HydrophobicContact CH2-CB 4.24Å; W18-M103 HydrophobicContact CZ3-CB 4.37Å; W18-V104 HydrophobicContact CZ2-CG2 4.1Å; W18-M107 HydrophobicContact CH2-CB 3.88Å; W18-M107 HydrophobicContact CH2-CE 3.76Å; W18-M107 HydrophobicContact CH2-CG 4.27Å; W18-M107 HydrophobicContact CZ2-CB 3.61Å; W18-M107 HydrophobicContact CZ2-CE 4.13Å; W18-M107 HydrophobicContact CZ2-CG 3.84Å; W18-M107 HydrophobicContact CZ3-CE 4.39Å
19	L	97.1	Very high	93.3	Very high	66 Å²	66	62.4 Å²	62.4	35%	0.346	33%	0.328	S	S	.	.	H	α-helix	trans	-64.9	-44.4	174.5	-73.4	174.2	0	0	0	111.5	I15 L16 V17 L21 N22 V23 M107	I15-L19 HydrophobicContact CG2-CD1 3.92Å; I15-L19 HydrophobicContact CG2-CG 4.32Å; I15-L19 WeakPolarHBondContact O-CB 3.49Å; I15-L19 WeakPolarHBondContact O-CG 3.4Å; I15-L19 PolarHBondContact O-N 3.32Å; L16-L19 PolarHBondContact O-N 3.39Å; V17-L19 PolarHBondContact O-N 2.81Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 3.15Å; L19-N22 WeakPolarHBondContact O-CB 3.01Å; L19-N22 PolarHBondContact O-N 2.86Å; L19-N22 VanDerWaalsContact O-N 3.14Å; L19-V23 WeakPolarHBondContact O-CG2 3.43Å; L19-V23 PolarHBondContact O-N 2.94Å; L19-M107 HydrophobicContact CD2-CE 3.74Å
20	G	97.6	Very high	94.2	Very high	41 Å²	41	64.1 Å²	64.1	42%	0.423	33%	0.326	S	S	.	.	H	α-helix	trans	-58.6	-42.1	176.4	0	0	0	0	0	112.3	L16 V17 V23 F24	L16-G20 PolarHBondContact O-N 2.88Å; V17-G20 PolarHBondContact O-N 2.96Å; G20-V23 PolarHBondContact O-N 3.46Å; G20-F24 VanDerWaalsContact O-CB 3.25Å; G20-F24 WeakPolarHBondContact O-CB 3.48Å; G20-F24 PolarHBondContact O-N 3.07Å
21	L	97.8	Very high	95	Very high	76 Å²	76	68.8 Å²	68.8	40%	0.398	34%	0.34	S	S	.	.	H	α-helix	trans	-64.3	-39.8	174.4	-72.8	172.2	0	0	0	112.5	V17 W18 L19 F24 L25 F62	V17-L21 HydrophobicContact CG1-CD1 4.17Å; V17-L21 WeakPolarHBondContact O-CG 3.31Å; V17-L21 PolarHBondContact O-N 3.36Å; W18-L21 PolarHBondContact O-N 3.5Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 3.15Å; L21-F24 PolarHBondContact O-N 2.98Å; L21-L25 WeakPolarHBondContact O-CB 3.17Å; L21-L25 VanDerWaalsContact O-CG 3.24Å; L21-L25 WeakPolarHBondContact O-CG 3.45Å; L21-L25 PolarHBondContact O-N 2.77Å; L21-F62 HydrophobicContact CB-CE1 4.11Å; L21-F62 HydrophobicContact CB-CZ 4.02Å; L21-F62 HydrophobicContact CD1-CE2 4.47Å; L21-F62 HydrophobicContact CD1-CZ 3.91Å
22	N	98.3	Very high	95.6	Very high	4 Å²	4	70.4 Å²	70.4	2%	0.021	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-46	174.7	-84.4	-80	0	0	0	112	W18 L19 L25 F26 C59 N63	W18-N22 PolarHBondContact NE1-ND2 3.19Å; W18-N22 VanDerWaalsContact NE1-ND2 3.19Å; W18-N22 PolarHBondContact O-N 2.94Å; W18-N22 VanDerWaalsContact O-N 3.11Å; W18-N22 PolarHBondContact O-ND2 2.96Å; L19-N22 WeakPolarHBondContact O-CB 3.01Å; L19-N22 PolarHBondContact O-N 2.86Å; L19-N22 VanDerWaalsContact O-N 3.14Å; N22-L25 PolarHBondContact O-N 3.28Å; N22-F26 VanDerWaalsContact O-CB 3.32Å; N22-F26 WeakPolarHBondContact O-CB 3.49Å; N22-F26 PolarHBondContact O-N 2.91Å; N22-C59 PolarHBondContact O-SG 3.27Å; N22-N63 PolarHBondContact OD1-ND2 2.85Å
23	V	98.1	Very high	96.1	Very high	94 Å²	94	69.2 Å²	69.2	57%	0.57	34%	0.342	S	S	*	.	H	α-helix	trans	-63.1	-46	177.2	173.2	0	0	0	0	110.5	L19 G20 F26 V27	L19-V23 WeakPolarHBondContact O-CG2 3.43Å; L19-V23 PolarHBondContact O-N 2.94Å; G20-V23 PolarHBondContact O-N 3.46Å; V23-F26 PolarHBondContact O-N 3.46Å; V23-V27 HydrophobicContact CG1-CG2 4.34Å; V23-V27 WeakPolarHBondContact O-CG2 3.44Å; V23-V27 PolarHBondContact O-N 3.27Å
24	F	98.1	Very high	96.4	Very high	116 Å²	116	65.8 Å²	65.8	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-57.6	-51.2	176.6	171	-100.4	0	0	0	111.5	G20 L21 F26 V27 W28	G20-F24 VanDerWaalsContact O-CB 3.25Å; G20-F24 WeakPolarHBondContact O-CB 3.48Å; G20-F24 PolarHBondContact O-N 3.07Å; L21-F24 PolarHBondContact O-N 2.98Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3.49Å; F24-V27 PolarHBondContact O-N 2.94Å; F24-W28 HydrophobicContact CE2-CE3 4.48Å; F24-W28 HydrophobicContact CZ-CB 4.47Å; F24-W28 HydrophobicContact CZ-CD2 4.47Å; F24-W28 HydrophobicContact CZ-CE3 4.37Å; F24-W28 WeakPolarHBondContact O-CB 3.26Å; F24-W28 PolarHBondContact O-N 3.37Å
25	L	97.8	Very high	96.6	Very high	21 Å²	21	67.7 Å²	67.7	11%	0.11	34%	0.341	C	S	.	.	H	α-helix	trans	-60.9	-42.7	178.7	-74.6	172.5	0	0	0	111.6	L21 N22 Y29 F62	L21-L25 WeakPolarHBondContact O-CB 3.17Å; L21-L25 VanDerWaalsContact O-CG 3.24Å; L21-L25 WeakPolarHBondContact O-CG 3.45Å; L21-L25 PolarHBondContact O-N 2.77Å; N22-L25 PolarHBondContact O-N 3.28Å; L25-Y29 HydrophobicContact CD2-CD2 4.39Å; L25-Y29 HydrophobicContact CD2-CE2 4.11Å; L25-Y29 WeakPolarHBondContact O-CB 3.25Å; L25-Y29 WeakPolarHBondContact O-CD2 3.46Å; L25-Y29 PolarHBondContact O-N 3.04Å; L25-F62 HydrophobicContact CD1-CB 3.64Å; L25-F62 HydrophobicContact CD1-CD1 3.95Å; L25-F62 HydrophobicContact CD1-CD2 4.24Å; L25-F62 HydrophobicContact CD1-CG 3.69Å
26	F	98.4	Very high	96.7	Very high	52 Å²	52	68.4 Å²	68.4	23%	0.228	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-54.6	177.2	-174.4	-82.5	0	0	0	110.9	N22 V23 F24 W28 Y29 Y30 L52 A55 P56 H111	N22-F26 VanDerWaalsContact O-CB 3.32Å; N22-F26 WeakPolarHBondContact O-CB 3.49Å; N22-F26 PolarHBondContact O-N 2.91Å; V23-F26 PolarHBondContact O-N 3.46Å; F24-F26 VanDerWaalsContact C-N 3.33Å; F24-F26 PolarHBondContact O-N 3.49Å; F26-W28 PolarHBondContact O-N 3.27Å; F26-Y29 PolarHBondContact O-N 3.12Å; F26-Y30 HydrophobicContact CE1-CD2 4.3Å; F26-Y30 WeakPolarHBondContact O-CB 3.49Å; F26-Y30 PolarHBondContact O-N 2.83Å; F26-L52 HydrophobicContact CZ-CD2 4.14Å; F26-A55 HydrophobicContact CD1-CB 4.33Å; F26-A55 HydrophobicContact CD2-CB 3.81Å; F26-A55 HydrophobicContact CE1-CB 4.44Å; F26-A55 HydrophobicContact CE2-CB 3.96Å; F26-A55 HydrophobicContact CG-CB 4.02Å; F26-A55 HydrophobicContact CZ-CB 4.27Å; F26-A55 VanDerWaalsContact O-CB 3.25Å; F26-A55 WeakPolarHBondContact O-CB 3.06Å; F26-P56 HydrophobicContact CD2-CG 4.47Å; F26-P56 HydrophobicContact CE2-CG 3.93Å; F26-H111 AromaticContact CD2-CE1 3.95Å
27	V	98.1	Very high	96.7	Very high	75 Å²	75	66.2 Å²	66.2	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-64.1	-43.1	-177.9	173.7	0	0	0	0	111.3	V23 F24 Y30 R31	V23-V27 HydrophobicContact CG1-CG2 4.34Å; V23-V27 WeakPolarHBondContact O-CG2 3.44Å; V23-V27 PolarHBondContact O-N 3.27Å; F24-V27 PolarHBondContact O-N 2.94Å; V27-Y30 PolarHBondContact O-N 2.92Å; V27-R31 HydrophobicContact CG1-CG 4.46Å; V27-R31 WeakPolarHBondContact O-CB 3.21Å; V27-R31 VanDerWaalsContact O-CG 3.27Å; V27-R31 WeakPolarHBondContact O-CG 3.46Å; V27-R31 PolarHBondContact O-N 3.1Å
28	W	97.8	Very high	96.6	Very high	146 Å²	146	66.6 Å²	66.6	55%	0.553	34%	0.335	S	S	*	.	H	α-helix	trans	-59.8	-54.4	178.2	178.8	-95.7	0	0	0	111.2	F24 F26 Y30 R31 V32	F24-W28 HydrophobicContact CE2-CE3 4.48Å; F24-W28 HydrophobicContact CZ-CB 4.47Å; F24-W28 HydrophobicContact CZ-CD2 4.47Å; F24-W28 HydrophobicContact CZ-CE3 4.37Å; F24-W28 WeakPolarHBondContact O-CB 3.26Å; F24-W28 PolarHBondContact O-N 3.37Å; F26-W28 PolarHBondContact O-N 3.27Å; W28-Y30 VanDerWaalsContact C-N 3.31Å; W28-Y30 PolarHBondContact O-N 3.5Å; W28-R31 PolarHBondContact O-N 3Å; W28-V32 VanDerWaalsContact O-CG2 3.28Å; W28-V32 WeakPolarHBondContact O-CG2 3.45Å; W28-V32 PolarHBondContact O-N 3.25Å
29	Y	96.4	Very high	96.5	Very high	60 Å²	60	66 Å²	66	24%	0.235	33%	0.334	C	S	.	.	H	α-helix	trans	-69.2	-30.2	-179.6	-84.6	-86.8	0	0	0	112.3	L25 F26 V32 Y33 A58	L25-Y29 HydrophobicContact CD2-CD2 4.39Å; L25-Y29 HydrophobicContact CD2-CE2 4.11Å; L25-Y29 WeakPolarHBondContact O-CB 3.25Å; L25-Y29 WeakPolarHBondContact O-CD2 3.46Å; L25-Y29 PolarHBondContact O-N 3.04Å; F26-Y29 PolarHBondContact O-N 3.12Å; Y29-V32 PolarHBondContact O-N 3.05Å; Y29-Y33 HydrophobicContact CD1-CE2 4.17Å; Y29-Y33 VanDerWaalsContact O-CD2 3.32Å; Y29-Y33 WeakPolarHBondContact O-CD2 3.46Å; Y29-Y33 PolarHBondContact O-N 3.02Å; Y29-A58 HydrophobicContact CD1-CB 4.05Å; Y29-A58 HydrophobicContact CD2-CB 3.31Å; Y29-A58 HydrophobicContact CE1-CB 4.31Å; Y29-A58 HydrophobicContact CE2-CB 3.62Å; Y29-A58 HydrophobicContact CG-CB 3.54Å
30	Y	97.7	Very high	96.4	Very high	63 Å²	63	64.9 Å²	64.9	25%	0.247	33%	0.326	C	S	.	.	H	α-helix	trans	-58.7	-53.1	170.8	-170.3	-80	0	0	0	110	F26 V27 W28 V32 Y33 D34 A51 L52	F26-Y30 HydrophobicContact CE1-CD2 4.3Å; F26-Y30 WeakPolarHBondContact O-CB 3.49Å; F26-Y30 PolarHBondContact O-N 2.83Å; V27-Y30 PolarHBondContact O-N 2.92Å; W28-Y30 VanDerWaalsContact C-N 3.31Å; W28-Y30 PolarHBondContact O-N 3.5Å; Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 3.41Å; Y30-Y33 PolarHBondContact O-N 3.21Å; Y30-D34 HydrophobicContact CD1-CB 4.01Å; Y30-D34 HydrophobicContact CE1-CB 3.92Å; Y30-D34 WeakPolarHBondContact O-CB 3.45Å; Y30-D34 PolarHBondContact O-N 2.77Å; Y30-A51 HydrophobicContact CD1-CB 4.23Å; Y30-A51 HydrophobicContact CD2-CB 3.7Å; Y30-A51 HydrophobicContact CE1-CB 4.26Å; Y30-A51 HydrophobicContact CE2-CB 3.74Å; Y30-A51 HydrophobicContact CG-CB 3.96Å; Y30-L52 HydrophobicContact CD2-CD2 4.27Å; Y30-L52 HydrophobicContact CE2-CD2 3.8Å; Y30-L52 HydrophobicContact CE2-CG 3.97Å
31	R	97.1	Very high	96.3	Very high	160 Å²	160	63 Å²	63	60%	0.604	31%	0.306	S	S	*	.	H	α-helix	trans	-60.3	-38.1	178.3	-70.4	-82.5	178.9	131.2	-3.3	112.7	V27 W28 Y33 D34 V35 P36	V27-R31 HydrophobicContact CG1-CG 4.46Å; V27-R31 WeakPolarHBondContact O-CB 3.21Å; V27-R31 VanDerWaalsContact O-CG 3.27Å; V27-R31 WeakPolarHBondContact O-CG 3.46Å; V27-R31 PolarHBondContact O-N 3.1Å; W28-R31 PolarHBondContact O-N 3Å; R31-Y33 VanDerWaalsContact C-N 3.25Å; R31-Y33 PolarHBondContact O-N 3.31Å; R31-D34 PolarHBondContact O-N 2.84Å; R31-V35 HydrophobicContact CB-CG2 4.46Å; R31-V35 WeakPolarHBondContact O-CB 3.45Å; R31-V35 PolarHBondContact O-N 3.36Å; R31-P36 WeakPolarHBondContact O-CD 3.15Å
32	V	95.3	Very high	96.1	Very high	48 Å²	48	59.6 Å²	59.6	29%	0.291	29%	0.288	S	S	.	.	H	α-helix	trans	-60.5	-32.5	178.5	165.9	0	0	0	0	112.9	W28 Y29 Y30 P36	W28-V32 VanDerWaalsContact O-CG2 3.28Å; W28-V32 WeakPolarHBondContact O-CG2 3.45Å; W28-V32 PolarHBondContact O-N 3.25Å; Y29-V32 PolarHBondContact O-N 3.05Å; Y30-V32 VanDerWaalsContact C-N 3.33Å; Y30-V32 PolarHBondContact O-N 3.41Å; V32-P36 WeakPolarHBondContact O-CD 3.48Å; V32-P36 WeakPolarHBondContact O-CG 3.34Å
33	Y	95.4	Very high	95.9	Very high	16 Å²	16	61.4 Å²	61.4	6%	0.063	30%	0.295	C	S	.	.	H	α-helix	trans	-97.2	-24.4	178	-72.7	-91.3	0	0	0	112.7	Y29 Y30 R31 F39 R43 L50 R54 V228 N265	Y29-Y33 HydrophobicContact CD1-CE2 4.17Å; Y29-Y33 VanDerWaalsContact O-CD2 3.32Å; Y29-Y33 WeakPolarHBondContact O-CD2 3.46Å; Y29-Y33 PolarHBondContact O-N 3.02Å; Y30-Y33 PolarHBondContact O-N 3.21Å; R31-Y33 VanDerWaalsContact C-N 3.25Å; R31-Y33 PolarHBondContact O-N 3.31Å; Y33-F39 HydrophobicContact CD1-CD1 4.01Å; Y33-F39 AromaticContact CD1-CD2 3.84Å; Y33-F39 HydrophobicContact CD1-CD2 3.84Å; Y33-F39 AromaticContact CD1-CE1 3.87Å; Y33-F39 HydrophobicContact CD1-CE1 3.87Å; Y33-F39 AromaticContact CD1-CE2 3.69Å; Y33-F39 HydrophobicContact CD1-CE2 3.69Å; Y33-F39 HydrophobicContact CD1-CG 4Å; Y33-F39 AromaticContact CD1-CZ 3.71Å; Y33-F39 HydrophobicContact CD1-CZ 3.71Å; Y33-F39 HydrophobicContact CE1-CD1 4.29Å; Y33-F39 HydrophobicContact CE1-CD2 4.42Å; Y33-F39 AromaticContact CE1-CE1 3.69Å; Y33-F39 HydrophobicContact CE1-CE1 3.69Å; Y33-F39 AromaticContact CE1-CE2 3.84Å; Y33-F39 HydrophobicContact CE1-CE2 3.84Å; Y33-F39 AromaticContact CE1-CZ 3.44Å; Y33-F39 HydrophobicContact CE1-CZ 3.44Å; Y33-F39 VanDerWaalsContact CE1-CZ 3.44Å; Y33-F39 HydrophobicContact CG-CD2 4.39Å; Y33-F39 HydrophobicContact CG-CE2 4.33Å; Y33-R43 WeakPolarHBondContact O-CD 3.1Å; Y33-R43 PolarHBondContact O-NH1 3.04Å; Y33-L50 HydrophobicContact CD1-CD1 4.25Å; Y33-L50 HydrophobicContact CD1-CD2 4.34Å; Y33-L50 HydrophobicContact CD1-CG 4.25Å; Y33-R54 HydrophobicContact CD1-CB 4.43Å; Y33-R54 HydrophobicContact CD1-CG 3.83Å; Y33-R54 HydrophobicContact CD2-CB 3.51Å; Y33-R54 HydrophobicContact CD2-CG 3.84Å; Y33-R54 HydrophobicContact CE1-CB 4.42Å; Y33-R54 HydrophobicContact CE1-CG 3.74Å; Y33-R54 HydrophobicContact CE2-CB 3.53Å; Y33-R54 HydrophobicContact CE2-CG 3.78Å; Y33-R54 HydrophobicContact CG-CB 3.99Å; Y33-R54 HydrophobicContact CG-CG 3.87Å; Y33-R54 PolarHBondContact OH-NE 3.25Å; Y33-V228 HydrophobicContact CE1-CG1 3.9Å; Y33-N265 PolarHBondContact OH-ND2 3.04Å; Y33-N265 VanDerWaalsContact OH-ND2 3.13Å
34	D	95.1	Very high	95.7	Very high	61 Å²	61	61.3 Å²	61.3	33%	0.326	29%	0.287	S	S	.	.	H	α-helix	trans	-85.1	-36.4	-177.5	-163.8	53.3	0	0	0	114	Y30 R31 R43 A51	Y30-D34 HydrophobicContact CD1-CB 4.01Å; Y30-D34 HydrophobicContact CE1-CB 3.92Å; Y30-D34 WeakPolarHBondContact O-CB 3.45Å; Y30-D34 PolarHBondContact O-N 2.77Å; R31-D34 PolarHBondContact O-N 2.84Å; D34-R43 WeakPolarHBondContact O-CD 3.31Å; D34-R43 PolarHBondContact O-NE 3.43Å; D34-R43 VanDerWaalsContact O-NE 3.1Å; D34-R43 PolarHBondContact O-NH1 3.23Å; D34-A51 HydrophobicContact CB-CB 4.23Å
35	V	93.8	Very high	95.5	Very high	90 Å²	90	56.2 Å²	56.2	55%	0.545	27%	0.265	S	S	.	.	S	Bend	trans	-94.7	-56.1	-171.4	-178.9	0	0	0	0	113.5	R31 R43	R31-V35 HydrophobicContact CB-CG2 4.46Å; R31-V35 WeakPolarHBondContact O-CB 3.45Å; R31-V35 PolarHBondContact O-N 3.36Å; V35-R43 PolarHBondContact O-NH2 3.35Å
36	P	93.7	Very high	95.3	Very high	55 Å²	55	55.9 Å²	55.9	36%	0.357	26%	0.263	S	S	.	.	S	Bend	trans	-61	145	-170.6	-24.8	35.6	0	0	0	114.2	R31 V32 K38 F39 R43	R31-P36 WeakPolarHBondContact O-CD 3.15Å; V32-P36 WeakPolarHBondContact O-CD 3.48Å; V32-P36 WeakPolarHBondContact O-CG 3.34Å; P36-K38 PolarHBondContact O-N 3.46Å; P36-F39 PolarHBondContact O-N 3.32Å; P36-R43 PolarHBondContact O-NH1 3.28Å; P36-R43 PolarHBondContact O-NH2 3.41Å
37	V	94	Very high	95	Very high	61 Å²	61	55 Å²	55	37%	0.37	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-61.6	-23.6	179.4	-63.4	0	0	0	0	113.6	F39 F40 L236 E242	V37-F39 PolarHBondContact O-N 2.95Å; V37-F39 VanDerWaalsContact O-N 3.11Å; V37-F40 WeakPolarHBondContact O-CB 3.47Å; V37-F40 PolarHBondContact O-N 2.94Å; V37-L236 HydrophobicContact CB-CD2 4.46Å; V37-L236 HydrophobicContact CG2-CD2 3.97Å; V37-E242 VanDerWaalsContact CG1-OE1 3.24Å; V37-E242 WeakPolarHBondContact CG1-OE1 3.02Å
38	K	94.6	Very high	94.7	Very high	75 Å²	75	54.3 Å²	54.3	33%	0.326	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-50.6	-37.8	176.2	175.2	174.4	176.5	-174.3	0	113.7	P36 Q231 L236 N265	P36-K38 PolarHBondContact O-N 3.46Å; K38-Q231 WeakPolarHBondContact CG-O 3.39Å; K38-Q231 PolarHBondContact O-N 3.28Å; K38-L236 HydrophobicContact CB-CD1 4.14Å; K38-N265 PolarHBondContact NZ-OD1 3.37Å; K38-N265 VanDerWaalsContact NZ-OD1 3.1Å
39	F	95.3	Very high	94.6	Very high	7 Å²	7	47.5 Å²	47.5	3%	0.031	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-103.3	14.2	-178.1	-60.9	-71.5	0	0	0	112.6	Y33 P36 V37 Y41 T42 R43 L50 N265	Y33-F39 HydrophobicContact CD1-CD1 4.01Å; Y33-F39 AromaticContact CD1-CD2 3.84Å; Y33-F39 HydrophobicContact CD1-CD2 3.84Å; Y33-F39 AromaticContact CD1-CE1 3.87Å; Y33-F39 HydrophobicContact CD1-CE1 3.87Å; Y33-F39 AromaticContact CD1-CE2 3.69Å; Y33-F39 HydrophobicContact CD1-CE2 3.69Å; Y33-F39 HydrophobicContact CD1-CG 4Å; Y33-F39 AromaticContact CD1-CZ 3.71Å; Y33-F39 HydrophobicContact CD1-CZ 3.71Å; Y33-F39 HydrophobicContact CE1-CD1 4.29Å; Y33-F39 HydrophobicContact CE1-CD2 4.42Å; Y33-F39 AromaticContact CE1-CE1 3.69Å; Y33-F39 HydrophobicContact CE1-CE1 3.69Å; Y33-F39 AromaticContact CE1-CE2 3.84Å; Y33-F39 HydrophobicContact CE1-CE2 3.84Å; Y33-F39 AromaticContact CE1-CZ 3.44Å; Y33-F39 HydrophobicContact CE1-CZ 3.44Å; Y33-F39 VanDerWaalsContact CE1-CZ 3.44Å; Y33-F39 HydrophobicContact CG-CD2 4.39Å; Y33-F39 HydrophobicContact CG-CE2 4.33Å; P36-F39 PolarHBondContact O-N 3.32Å; V37-F39 PolarHBondContact O-N 2.95Å; V37-F39 VanDerWaalsContact O-N 3.11Å; F39-Y41 PolarHBondContact O-N 2.84Å; F39-T42 CarbonylContact O-C 3.53Å; F39-T42 WeakPolarHBondContact O-CB 3.39Å; F39-T42 PolarHBondContact O-N 3.45Å; F39-T42 VanDerWaalsContact O-N 3.16Å; F39-R43 WeakPolarHBondContact O-CG 3.48Å; F39-R43 PolarHBondContact O-N 2.98Å; F39-L50 HydrophobicContact CB-CD2 4.14Å; F39-N265 WeakPolarHBondContact CZ-ND2 3.35Å
40	F	94.8	Very high	94.6	Very high	41 Å²	41	44.7 Å²	44.7	18%	0.18	23%	0.231	C	C	.	.	H	α-helix	trans	-53.4	-56.7	-175.8	-176	-92.3	0	0	0	112.6	V37 T42 R43 K44 P241 E245	V37-F40 WeakPolarHBondContact O-CB 3.47Å; V37-F40 PolarHBondContact O-N 2.94Å; F40-T42 VanDerWaalsContact C-N 3.33Å; F40-T42 PolarHBondContact O-N 3.13Å; F40-R43 PolarHBondContact O-N 3.04Å; F40-K44 HydrophobicContact CD1-CG 4.47Å; F40-K44 HydrophobicContact CE1-CG 4.09Å; F40-K44 VanDerWaalsContact CZ-CE 3.45Å; F40-K44 HydrophobicContact CZ-CG 4.46Å; F40-K44 PolarHBondContact O-N 3.3Å; F40-P241 HydrophobicContact CB-CB 4.05Å; F40-P241 HydrophobicContact CB-CG 4.27Å; F40-P241 HydrophobicContact CD1-CB 3.7Å; F40-P241 HydrophobicContact CE1-CB 4.34Å; F40-P241 HydrophobicContact CG-CB 3.83Å; F40-E245 HydrophobicContact CE1-CB 4.18Å; F40-E245 HydrophobicContact CE1-CG 4.14Å; F40-E245 HydrophobicContact CZ-CG 4.4Å; F40-E245 WeakPolarHBondContact CZ-OE1 3.5Å; F40-E245 WeakPolarHBondContact CZ-OE2 3.48Å
41	Y	94.4	Very high	94.5	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-36.3	177.8	-63.7	-65.7	0	0	0	112.7	F39 R43 K44 L45 Y137 L141 H239 P241 W251 F262	F39-Y41 PolarHBondContact O-N 2.84Å; Y41-R43 VanDerWaalsContact C-N 3.3Å; Y41-R43 PolarHBondContact O-N 3.34Å; Y41-K44 PolarHBondContact O-N 3.49Å; Y41-L45 PolarHBondContact O-N 2.9Å; Y41-L45 VanDerWaalsContact O-N 3.13Å; Y41-Y137 HydrophobicContact CD1-CE1 4.37Å; Y41-Y137 WeakPolarHBondContact CD1-OH 3.42Å; Y41-Y137 WeakPolarHBondContact CE1-OH 3.35Å; Y41-L141 HydrophobicContact CD1-CD1 4.31Å; Y41-L141 HydrophobicContact CD1-CD2 3.76Å; Y41-L141 HydrophobicContact CG-CD2 4.09Å; Y41-L141 WeakPolarHBondContact O-CD1 3.37Å; Y41-H239 AromaticContact CE2-CD2 3.77Å; Y41-H239 AromaticContact CE2-NE2 3.63Å; Y41-H239 AromaticContact CZ-CD2 3.94Å; Y41-H239 AromaticContact CZ-NE2 3.38Å; Y41-H239 PolarHBondContact OH-CD2 2.95Å; Y41-H239 PolarHBondContact OH-NE2 3.11Å; Y41-P241 HydrophobicContact CE2-CB 4.1Å; Y41-P241 HydrophobicContact CE2-CG 3.95Å; Y41-P241 WeakPolarHBondContact OH-CA 3.33Å; Y41-W251 AromaticContact CD1-CH2 3.99Å; Y41-W251 HydrophobicContact CD1-CH2 3.99Å; Y41-W251 AromaticContact CE1-CH2 3.5Å; Y41-W251 HydrophobicContact CE1-CH2 3.5Å; Y41-W251 AromaticContact CE1-CZ2 3.61Å; Y41-W251 HydrophobicContact CE1-CZ2 3.61Å; Y41-W251 AromaticContact CZ-CZ2 3.94Å; Y41-F262 HydrophobicContact CD2-CE1 4.08Å; Y41-F262 HydrophobicContact CD2-CZ 4.03Å; Y41-F262 HydrophobicContact CG-CE1 4.39Å; Y41-F262 HydrophobicContact CG-CZ 4.22Å
42	T	94.6	Very high	94.5	Very high	5 Å²	5	37 Å²	37	3%	0.031	21%	0.206	C	C	.	.	H	α-helix	trans	-61.1	-40.8	175	-39.6	0	0	0	0	111.2	F39 F40 L45 L46 L50 L153 R229	F39-T42 CarbonylContact O-C 3.53Å; F39-T42 WeakPolarHBondContact O-CB 3.39Å; F39-T42 PolarHBondContact O-N 3.45Å; F39-T42 VanDerWaalsContact O-N 3.16Å; F40-T42 VanDerWaalsContact C-N 3.33Å; F40-T42 PolarHBondContact O-N 3.13Å; T42-L45 PolarHBondContact O-N 3.36Å; T42-L46 HydrophobicContact CG2-CD1 3.96Å; T42-L46 VanDerWaalsContact O-CB 3.25Å; T42-L46 WeakPolarHBondContact O-CB 3.29Å; T42-L46 WeakPolarHBondContact O-CG 3.18Å; T42-L46 PolarHBondContact O-N 3.17Å; T42-L50 HydrophobicContact CG2-CD1 4.2Å; T42-L50 HydrophobicContact CG2-CD2 3.67Å; T42-L153 HydrophobicContact CG2-CD1 4.17Å; T42-L153 WeakPolarHBondContact OG1-CD1 3.44Å; T42-R229 VanDerWaalsContact CG2-O 3.31Å; T42-R229 WeakPolarHBondContact CG2-O 3.41Å; T42-R229 PolarHBondContact OG1-O 2.95Å
43	R	94.6	Very high	94.5	Very high	42 Å²	42	34.7 Å²	34.7	16%	0.158	19%	0.192	C	C	.	.	H	α-helix	trans	-70.3	-32.9	175.7	-72.9	-169.2	-58.8	-93.7	9.1	112.9	Y33 D34 V35 P36 F39 F40 Y41 L45 L46 G47 L50	Y33-R43 WeakPolarHBondContact O-CD 3.1Å; Y33-R43 PolarHBondContact O-NH1 3.04Å; D34-R43 WeakPolarHBondContact O-CD 3.31Å; D34-R43 PolarHBondContact O-NE 3.43Å; D34-R43 VanDerWaalsContact O-NE 3.1Å; D34-R43 PolarHBondContact O-NH1 3.23Å; V35-R43 PolarHBondContact O-NH2 3.35Å; P36-R43 PolarHBondContact O-NH1 3.28Å; P36-R43 PolarHBondContact O-NH2 3.41Å; F39-R43 WeakPolarHBondContact O-CG 3.48Å; F39-R43 PolarHBondContact O-N 2.98Å; F40-R43 PolarHBondContact O-N 3.04Å; Y41-R43 VanDerWaalsContact C-N 3.3Å; Y41-R43 PolarHBondContact O-N 3.34Å; R43-L45 VanDerWaalsContact C-N 3.26Å; R43-L45 PolarHBondContact O-N 2.92Å; R43-L46 PolarHBondContact O-N 3.48Å; R43-G47 WeakPolarHBondContact O-CA 3.47Å; R43-G47 PolarHBondContact O-N 3.23Å; R43-L50 HydrophobicContact CG-CD2 3.97Å
44	K	92.6	Very high	94.6	Very high	93 Å²	93	36.9 Å²	36.9	40%	0.404	20%	0.2	S	C	.	.	H	α-helix	trans	-61.8	-39.7	172.8	-71.3	-70.9	-175.7	159.8	0	111.3	F40 Y41 Y137 L141 E245	F40-K44 HydrophobicContact CD1-CG 4.47Å; F40-K44 HydrophobicContact CE1-CG 4.09Å; F40-K44 VanDerWaalsContact CZ-CE 3.45Å; F40-K44 HydrophobicContact CZ-CG 4.46Å; F40-K44 PolarHBondContact O-N 3.3Å; Y41-K44 PolarHBondContact O-N 3.49Å; K44-Y137 HydrophobicContact CB-CD1 4.13Å; K44-Y137 HydrophobicContact CB-CE1 3.66Å; K44-Y137 HydrophobicContact CD-CE1 4.36Å; K44-Y137 HydrophobicContact CG-CE1 3.8Å; K44-L141 HydrophobicContact CB-CD1 4.14Å; K44-E245 WeakPolarHBondContact CE-OE1 3.38Å; K44-E245 IonicContact NZ-OE1 2.66Å; K44-E245 PolarHBondContact NZ-OE1 2.91Å
45	L	93.6	Very high	94.7	Very high	9 Å²	9	34 Å²	34	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-75.7	-39	176.7	-176.1	64.7	0	0	0	113.4	Y41 T42 R43 A129 L153 N154	Y41-L45 PolarHBondContact O-N 2.9Å; Y41-L45 VanDerWaalsContact O-N 3.13Å; T42-L45 PolarHBondContact O-N 3.36Å; R43-L45 VanDerWaalsContact C-N 3.26Å; R43-L45 PolarHBondContact O-N 2.92Å; L45-A129 HydrophobicContact CD1-CB 3.55Å; L45-L153 HydrophobicContact CD2-CD2 4.42Å; L45-L153 HydrophobicContact CD2-CG 4.33Å; L45-N154 HydrophobicContact CD2-CB 4.02Å
46	L	94.3	Very high	94.9	Very high	14 Å²	14	29.7 Å²	29.7	7%	0.073	16%	0.159	C	C	.	.	H	α-helix	trans	-114.8	4.8	-166.8	-62.7	-173.8	0	0	0	115	T42 R43 A49 L50 N122 W125 C126	T42-L46 HydrophobicContact CG2-CD1 3.96Å; T42-L46 VanDerWaalsContact O-CB 3.25Å; T42-L46 WeakPolarHBondContact O-CB 3.29Å; T42-L46 WeakPolarHBondContact O-CG 3.18Å; T42-L46 PolarHBondContact O-N 3.17Å; R43-L46 PolarHBondContact O-N 3.48Å; L46-A49 WeakPolarHBondContact O-CB 3.48Å; L46-A49 PolarHBondContact O-N 2.7Å; L46-L50 HydrophobicContact CB-CB 3.99Å; L46-L50 HydrophobicContact CD1-CB 4.42Å; L46-L50 HydrophobicContact CD1-CD1 4.21Å; L46-L50 PolarHBondContact O-N 2.97Å; L46-N122 HydrophobicContact CD1-CB 4.5Å; L46-N122 HydrophobicContact CD2-CB 4.02Å; L46-W125 WeakPolarHBondContact O-CZ3 3.34Å; L46-C126 VanDerWaalsContact CD2-SG 3.6Å
47	G	92.5	Very high	95	Very high	32 Å²	32	27.7 Å²	27.7	33%	0.33	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	47	-144.1	-177.4	0	0	0	0	0	114.5	R43 A49	R43-G47 WeakPolarHBondContact O-CA 3.47Å; R43-G47 PolarHBondContact O-N 3.23Å; G47-A49 VanDerWaalsContact C-N 3.27Å; G47-A49 PolarHBondContact O-N 3.32Å
48	S	92.3	Very high	95.1	Very high	61 Å²	61	25.1 Å²	25.1	43%	0.427	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-14.2	175.4	59.4	0	0	0	0	113.4	L50 A51 L52	S48-L50 PolarHBondContact O-N 3.46Å; S48-A51 PolarHBondContact O-N 3.28Å; S48-L52 PolarHBondContact O-N 3.36Å
49	A	95.1	Very high	95.3	Very high	4 Å²	4	21.6 Å²	21.6	3%	0.033	12%	0.117	C	C	.	.	H	α-helix	trans	-65	-24.8	177.8	0	0	0	0	0	112.2	L46 G47 A53 F121 N122 W125	L46-A49 WeakPolarHBondContact O-CB 3.48Å; L46-A49 PolarHBondContact O-N 2.7Å; G47-A49 VanDerWaalsContact C-N 3.27Å; G47-A49 PolarHBondContact O-N 3.32Å; A49-A53 VanDerWaalsContact O-CB 3.27Å; A49-A53 WeakPolarHBondContact O-CB 3Å; A49-A53 PolarHBondContact O-N 3.33Å; A49-F121 HydrophobicContact CB-CB 4.03Å; A49-N122 VanDerWaalsContact CB-OD1 3.27Å; A49-N122 WeakPolarHBondContact CB-OD1 3.37Å; A49-N122 PolarHBondContact O-ND2 2.99Å; A49-W125 HydrophobicContact CB-CE3 4.12Å; A49-W125 HydrophobicContact CB-CH2 3.99Å; A49-W125 HydrophobicContact CB-CZ3 3.39Å
50	L	95.3	Very high	95.4	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-59.1	-58.1	169.2	174.9	62.9	0	0	0	111	Y33 F39 T42 R43 L46 S48 L52 A53 R54 N122 V228	Y33-L50 HydrophobicContact CD1-CD1 4.25Å; Y33-L50 HydrophobicContact CD1-CD2 4.34Å; Y33-L50 HydrophobicContact CD1-CG 4.25Å; F39-L50 HydrophobicContact CB-CD2 4.14Å; T42-L50 HydrophobicContact CG2-CD1 4.2Å; T42-L50 HydrophobicContact CG2-CD2 3.67Å; R43-L50 HydrophobicContact CG-CD2 3.97Å; L46-L50 HydrophobicContact CB-CB 3.99Å; L46-L50 HydrophobicContact CD1-CB 4.42Å; L46-L50 HydrophobicContact CD1-CD1 4.21Å; L46-L50 PolarHBondContact O-N 2.97Å; S48-L50 PolarHBondContact O-N 3.46Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.32Å; L50-A53 PolarHBondContact O-N 3.44Å; L50-A53 VanDerWaalsContact O-N 3.14Å; L50-R54 HydrophobicContact CD1-CG 4.19Å; L50-R54 VanDerWaalsContact O-CG 3.3Å; L50-R54 WeakPolarHBondContact O-CG 3.09Å; L50-R54 PolarHBondContact O-N 2.64Å; L50-R54 VanDerWaalsContact O-N 3.1Å; L50-N122 PolarHBondContact N-OD1 3.5Å; L50-V228 HydrophobicContact CD1-CG1 3.76Å
51	A	96.5	Very high	95.5	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.017	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-39.6	-178.3	0	0	0	0	0	111.4	Y30 D34 S48 A53 R54 A55	Y30-A51 HydrophobicContact CD1-CB 4.23Å; Y30-A51 HydrophobicContact CD2-CB 3.7Å; Y30-A51 HydrophobicContact CE1-CB 4.26Å; Y30-A51 HydrophobicContact CE2-CB 3.74Å; Y30-A51 HydrophobicContact CG-CB 3.96Å; D34-A51 HydrophobicContact CB-CB 4.23Å; S48-A51 PolarHBondContact O-N 3.28Å; A51-A53 VanDerWaalsContact C-N 3.29Å; A51-A53 PolarHBondContact O-N 3.02Å; A51-R54 PolarHBondContact O-N 3.05Å; A51-A55 WeakPolarHBondContact O-CB 3.43Å; A51-A55 PolarHBondContact O-N 2.9Å
52	L	96.5	Very high	95.6	Very high	59 Å²	59	21.6 Å²	21.6	31%	0.309	12%	0.118	S	C	.	.	H	α-helix	trans	-68	-21.2	175.5	-72.6	175	0	0	0	114.2	F26 Y30 S48 L50 P56 A118	F26-L52 HydrophobicContact CZ-CD2 4.14Å; Y30-L52 HydrophobicContact CD2-CD2 4.27Å; Y30-L52 HydrophobicContact CE2-CD2 3.8Å; Y30-L52 HydrophobicContact CE2-CG 3.97Å; S48-L52 PolarHBondContact O-N 3.36Å; L50-L52 VanDerWaalsContact C-N 3.31Å; L50-L52 PolarHBondContact O-N 3.32Å; L52-P56 WeakPolarHBondContact O-CD 3.45Å; L52-P56 WeakPolarHBondContact O-CG 3.26Å; L52-A118 HydrophobicContact CB-CB 3.97Å
53	A	96.3	Very high	95.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-81.5	-36.9	170.4	0	0	0	0	0	111.5	A49 L50 A51 A57 H115 A118 N122	A49-A53 VanDerWaalsContact O-CB 3.27Å; A49-A53 WeakPolarHBondContact O-CB 3Å; A49-A53 PolarHBondContact O-N 3.33Å; L50-A53 PolarHBondContact O-N 3.44Å; L50-A53 VanDerWaalsContact O-N 3.14Å; A51-A53 VanDerWaalsContact C-N 3.29Å; A51-A53 PolarHBondContact O-N 3.02Å; A53-A57 WeakPolarHBondContact O-CB 3.42Å; A53-A57 PolarHBondContact O-N 3Å; A53-H115 PolarHBondContact O-ND1 2.92Å; A53-A118 HydrophobicContact CB-CB 3.82Å; A53-N122 WeakPolarHBondContact CB-ND2 3.3Å
54	R	96.2	Very high	95.9	Very high	62 Å²	62	19.5 Å²	19.5	23%	0.234	11%	0.11	C	C	.	.	H	α-helix	trans	-83.5	-36.2	-173	-59	-50.7	-67.5	169.4	-0.5	114.3	Y33 L50 A51 A57 A58 V228	Y33-R54 HydrophobicContact CD1-CB 4.43Å; Y33-R54 HydrophobicContact CD1-CG 3.83Å; Y33-R54 HydrophobicContact CD2-CB 3.51Å; Y33-R54 HydrophobicContact CD2-CG 3.84Å; Y33-R54 HydrophobicContact CE1-CB 4.42Å; Y33-R54 HydrophobicContact CE1-CG 3.74Å; Y33-R54 HydrophobicContact CE2-CB 3.53Å; Y33-R54 HydrophobicContact CE2-CG 3.78Å; Y33-R54 HydrophobicContact CG-CB 3.99Å; Y33-R54 HydrophobicContact CG-CG 3.87Å; Y33-R54 PolarHBondContact OH-NE 3.25Å; L50-R54 HydrophobicContact CD1-CG 4.19Å; L50-R54 VanDerWaalsContact O-CG 3.3Å; L50-R54 WeakPolarHBondContact O-CG 3.09Å; L50-R54 PolarHBondContact O-N 2.64Å; L50-R54 VanDerWaalsContact O-N 3.1Å; A51-R54 PolarHBondContact O-N 3.05Å; R54-A57 WeakPolarHBondContact O-CB 3.45Å; R54-A57 PolarHBondContact O-N 3.13Å; R54-A58 PolarHBondContact O-N 3.49Å; R54-V228 HydrophobicContact CG-CG1 4.48Å
55	A	97.4	Very high	96	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-62.4	-52	178.2	0	0	0	0	0	112.4	F26 A51 A57 A58 C59	F26-A55 HydrophobicContact CD1-CB 4.33Å; F26-A55 HydrophobicContact CD2-CB 3.81Å; F26-A55 HydrophobicContact CE1-CB 4.44Å; F26-A55 HydrophobicContact CE2-CB 3.96Å; F26-A55 HydrophobicContact CG-CB 4.02Å; F26-A55 HydrophobicContact CZ-CB 4.27Å; F26-A55 VanDerWaalsContact O-CB 3.25Å; F26-A55 WeakPolarHBondContact O-CB 3.06Å; A51-A55 WeakPolarHBondContact O-CB 3.43Å; A51-A55 PolarHBondContact O-N 2.9Å; A55-A57 VanDerWaalsContact C-N 3.29Å; A55-A57 PolarHBondContact O-N 2.91Å; A55-A58 PolarHBondContact O-N 2.89Å; A55-C59 PolarHBondContact O-N 3.45Å; A55-C59 PolarHBondContact O-SG 3.03Å
56	P	97.8	Very high	96.1	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61	-33.9	172.5	-22.6	33	0	0	0	113.5	F26 L52 A58 C59 L60 H111 I114 H115	F26-P56 HydrophobicContact CD2-CG 4.47Å; F26-P56 HydrophobicContact CE2-CG 3.93Å; L52-P56 WeakPolarHBondContact O-CD 3.45Å; L52-P56 WeakPolarHBondContact O-CG 3.26Å; P56-A58 VanDerWaalsContact C-N 3.27Å; P56-A58 PolarHBondContact O-N 3.07Å; P56-C59 CarbonylContact O-C 3.55Å; P56-C59 PolarHBondContact O-N 3.33Å; P56-L60 WeakPolarHBondContact O-CB 3.04Å; P56-L60 VanDerWaalsContact O-CG 3.27Å; P56-L60 WeakPolarHBondContact O-CG 3.05Å; P56-L60 PolarHBondContact O-N 3.45Å; P56-H111 HydrophobicContact CB-CB 3.97Å; P56-H111 WeakPolarHBondContact CB-O 3.44Å; P56-I114 HydrophobicContact CB-CB 4.47Å; P56-I114 HydrophobicContact CG-CB 3.96Å; P56-I114 HydrophobicContact CG-CG2 3.55Å; P56-H115 HydrophobicContact CB-CB 4.04Å
57	A	96.6	Very high	96.2	Very high	13 Å²	13	18.5 Å²	18.5	11%	0.107	11%	0.108	C	C	.	.	H	α-helix	trans	-61.1	-37	177.1	0	0	0	0	0	112.3	A53 R54 A55 N61	A53-A57 WeakPolarHBondContact O-CB 3.42Å; A53-A57 PolarHBondContact O-N 3Å; R54-A57 WeakPolarHBondContact O-CB 3.45Å; R54-A57 PolarHBondContact O-N 3.13Å; A55-A57 VanDerWaalsContact C-N 3.29Å; A55-A57 PolarHBondContact O-N 2.91Å; A57-N61 PolarHBondContact O-N 3.03Å; A57-N61 PolarHBondContact O-ND2 2.99Å
58	A	96.6	Very high	96.2	Very high	7 Å²	7	17.5 Å²	17.5	6%	0.058	10%	0.095	C	C	.	.	H	α-helix	trans	-67.5	-44.1	173.5	0	0	0	0	0	111.8	Y29 R54 A55 P56 L60 N61 F62	Y29-A58 HydrophobicContact CD1-CB 4.05Å; Y29-A58 HydrophobicContact CD2-CB 3.31Å; Y29-A58 HydrophobicContact CE1-CB 4.31Å; Y29-A58 HydrophobicContact CE2-CB 3.62Å; Y29-A58 HydrophobicContact CG-CB 3.54Å; R54-A58 PolarHBondContact O-N 3.49Å; A55-A58 PolarHBondContact O-N 2.89Å; P56-A58 VanDerWaalsContact C-N 3.27Å; P56-A58 PolarHBondContact O-N 3.07Å; A58-L60 VanDerWaalsContact C-N 3.32Å; A58-L60 PolarHBondContact O-N 2.87Å; A58-N61 PolarHBondContact O-N 2.89Å; A58-F62 PolarHBondContact O-N 3.08Å
59	C	98	Very high	96.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-37.3	175	-58.8	0	0	0	0	112.1	N22 A55 P56 F62 N63 H111	N22-C59 PolarHBondContact O-SG 3.27Å; A55-C59 PolarHBondContact O-N 3.45Å; A55-C59 PolarHBondContact O-SG 3.03Å; P56-C59 CarbonylContact O-C 3.55Å; P56-C59 PolarHBondContact O-N 3.33Å; C59-F62 PolarHBondContact O-N 3.05Å; C59-N63 PolarHBondContact O-N 2.81Å; C59-N63 PolarHBondContact O-ND2 3.04Å; C59-H111 WeakPolarHBondContact CB-CD2 3.25Å; C59-H111 VanDerWaalsContact CB-NE2 3.31Å; C59-H111 WeakPolarHBondContact CB-NE2 3.34Å
60	L	97.5	Very high	96	Very high	15 Å²	15	17.5 Å²	17.5	8%	0.079	9%	0.09	C	C	.	.	H	α-helix	trans	-61.3	-47.9	174.3	-76.7	168.7	0	0	0	110.9	P56 A58 F62 N63 C64 I108 H111 T112 H115	P56-L60 WeakPolarHBondContact O-CB 3.04Å; P56-L60 VanDerWaalsContact O-CG 3.27Å; P56-L60 WeakPolarHBondContact O-CG 3.05Å; P56-L60 PolarHBondContact O-N 3.45Å; A58-L60 VanDerWaalsContact C-N 3.32Å; A58-L60 PolarHBondContact O-N 2.87Å; L60-F62 VanDerWaalsContact C-N 3.32Å; L60-F62 PolarHBondContact O-N 3.42Å; L60-N63 PolarHBondContact O-N 3.41Å; L60-C64 VanDerWaalsContact O-CB 3.23Å; L60-C64 WeakPolarHBondContact O-CB 3.42Å; L60-C64 PolarHBondContact O-N 3.27Å; L60-C64 PolarHBondContact O-SG 3.49Å; L60-I108 HydrophobicContact CD2-CB 4.38Å; L60-I108 HydrophobicContact CD2-CG2 3.92Å; L60-I108 WeakPolarHBondContact CD2-O 3.42Å; L60-H111 HydrophobicContact CD1-CB 4.48Å; L60-H111 HydrophobicContact CD2-CB 3.87Å; L60-H111 HydrophobicContact CG-CB 3.79Å; L60-T112 WeakPolarHBondContact CD2-OG1 3.49Å; L60-H115 HydrophobicContact CD1-CB 4.03Å
61	N	96.4	Very high	95.8	Very high	16 Å²	16	19.1 Å²	19.1	9%	0.086	10%	0.1	C	C	.	.	H	α-helix	trans	-57	-45.6	175.8	-75.5	-31.6	0	0	0	111.8	A57 A58 M65 T269 W272	A57-N61 PolarHBondContact O-N 3.03Å; A57-N61 PolarHBondContact O-ND2 2.99Å; A58-N61 PolarHBondContact O-N 2.89Å; N61-M65 WeakPolarHBondContact O-CB 3.18Å; N61-M65 PolarHBondContact O-N 3.24Å; N61-T269 PolarHBondContact ND2-OG1 3.45Å; N61-T269 WeakPolarHBondContact OD1-CB 3.38Å; N61-T269 VanDerWaalsContact OD1-CG2 3.29Å; N61-T269 WeakPolarHBondContact OD1-CG2 3.45Å; N61-T269 PolarHBondContact OD1-OG1 2.91Å; N61-W272 HydrophobicContact CB-CB 4.16Å; N61-W272 HydrophobicContact CB-CD2 4.02Å; N61-W272 HydrophobicContact CB-CG 3.69Å
62	F	97.3	Very high	95.5	Very high	19 Å²	19	19.1 Å²	19.1	8%	0.083	10%	0.099	C	C	.	.	H	α-helix	trans	-61.9	-47.9	177.1	172.7	-116.9	0	0	0	112.6	W18 L21 L25 A58 C59 L60 M65 L66 W272	W18-F62 AromaticContact CD1-CE1 3.7Å; L21-F62 HydrophobicContact CB-CE1 4.11Å; L21-F62 HydrophobicContact CB-CZ 4.02Å; L21-F62 HydrophobicContact CD1-CE2 4.47Å; L21-F62 HydrophobicContact CD1-CZ 3.91Å; L25-F62 HydrophobicContact CD1-CB 3.64Å; L25-F62 HydrophobicContact CD1-CD1 3.95Å; L25-F62 HydrophobicContact CD1-CD2 4.24Å; L25-F62 HydrophobicContact CD1-CG 3.69Å; A58-F62 PolarHBondContact O-N 3.08Å; C59-F62 PolarHBondContact O-N 3.05Å; L60-F62 VanDerWaalsContact C-N 3.32Å; L60-F62 PolarHBondContact O-N 3.42Å; F62-M65 HydrophobicContact CD2-CE 3.84Å; F62-M65 HydrophobicContact CE2-CE 4.02Å; F62-M65 WeakPolarHBondContact O-CB 3.39Å; F62-M65 PolarHBondContact O-N 2.93Å; F62-L66 HydrophobicContact CD1-CD1 4.43Å; F62-L66 HydrophobicContact CD2-CD1 4.38Å; F62-L66 HydrophobicContact CE1-CD1 3.86Å; F62-L66 HydrophobicContact CE2-CD1 3.8Å; F62-L66 HydrophobicContact CE2-CG 4.3Å; F62-L66 HydrophobicContact CZ-CD1 3.52Å; F62-L66 HydrophobicContact CZ-CG 4.49Å; F62-L66 WeakPolarHBondContact O-CG 3.47Å; F62-L66 PolarHBondContact O-N 2.94Å; F62-W272 HydrophobicContact CB-CE3 4.5Å; F62-W272 HydrophobicContact CB-CZ3 4.15Å; F62-W272 HydrophobicContact CD2-CZ3 4.04Å
63	N	98	Very high	95	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-72.1	-34.2	-179.1	-71.6	-69.2	0	0	0	112.6	W18 N22 C59 L60 M65 L66 I67 V104 M107 I108	W18-N63 PolarHBondContact NE1-OD1 3.17Å; N22-N63 PolarHBondContact OD1-ND2 2.85Å; C59-N63 PolarHBondContact O-N 2.81Å; C59-N63 PolarHBondContact O-ND2 3.04Å; L60-N63 PolarHBondContact O-N 3.41Å; N63-M65 VanDerWaalsContact C-N 3.3Å; N63-M65 PolarHBondContact O-N 3.45Å; N63-L66 PolarHBondContact O-N 2.79Å; N63-L66 VanDerWaalsContact O-N 3.11Å; N63-I67 PolarHBondContact O-N 3.5Å; N63-V104 HydrophobicContact CB-CG1 3.8Å; N63-V104 WeakPolarHBondContact O-CG1 3.39Å; N63-M107 WeakPolarHBondContact ND2-CG 3.42Å; N63-I108 HydrophobicContact CB-CD1 4.15Å; N63-I108 HydrophobicContact CB-CG1 3.58Å
64	C	96.4	Very high	94.5	Very high	2 Å²	2	21 Å²	21	1%	0.014	10%	0.104	C	C	.	.	H	α-helix	trans	-68.6	-29	173.9	-66.1	0	0	0	0	112.2	L60 L66 I67 F216 L219	L60-C64 VanDerWaalsContact O-CB 3.23Å; L60-C64 WeakPolarHBondContact O-CB 3.42Å; L60-C64 PolarHBondContact O-N 3.27Å; L60-C64 PolarHBondContact O-SG 3.49Å; C64-L66 VanDerWaalsContact C-N 3.32Å; C64-I67 WeakPolarHBondContact O-CG2 3.34Å; C64-F216 HydrophobicContact CB-CE1 4.31Å; C64-L219 HydrophobicContact CB-CD2 3.89Å
65	M	95.5	Very high	94	Very high	48 Å²	48	20.9 Å²	20.9	24%	0.236	11%	0.108	C	C	.	.	H	α-helix	trans	-63.1	-41.6	168.2	176.6	-171.9	76.7	0	0	110.9	N61 F62 N63 W272 P276	N61-M65 WeakPolarHBondContact O-CB 3.18Å; N61-M65 PolarHBondContact O-N 3.24Å; F62-M65 HydrophobicContact CD2-CE 3.84Å; F62-M65 HydrophobicContact CE2-CE 4.02Å; F62-M65 WeakPolarHBondContact O-CB 3.39Å; F62-M65 PolarHBondContact O-N 2.93Å; N63-M65 VanDerWaalsContact C-N 3.3Å; N63-M65 PolarHBondContact O-N 3.45Å; M65-W272 HydrophobicContact CB-CB 4.29Å; M65-W272 HydrophobicContact CB-CE3 4.37Å; M65-W272 WeakPolarHBondContact CB-O 3.37Å; M65-W272 HydrophobicContact CE-CE3 4.31Å; M65-W272 HydrophobicContact CE-CZ3 4.34Å; M65-W272 VanDerWaalsContact CG-O 3.25Å; M65-W272 WeakPolarHBondContact CG-O 3.28Å; M65-W272 HydrophobicContact SD-CE3 3.73Å; M65-W272 HydrophobicContact SD-CZ3 4.22Å; M65-P276 HydrophobicContact CB-CG 4.23Å; M65-P276 HydrophobicContact CG-CG 3.52Å; M65-P276 WeakPolarHBondContact O-CB 3.43Å; M65-P276 WeakPolarHBondContact O-CG 3.47Å
66	L	95.4	Very high	93.5	Very high	29 Å²	29	21.9 Å²	21.9	15%	0.152	11%	0.113	C	C	.	.	H	α-helix	trans	-79.1	-32.2	-175.3	-65.9	178.9	0	0	0	113.9	F62 N63 C64 L68 L69 P70 F100 V104	F62-L66 HydrophobicContact CD1-CD1 4.43Å; F62-L66 HydrophobicContact CD2-CD1 4.38Å; F62-L66 HydrophobicContact CE1-CD1 3.86Å; F62-L66 HydrophobicContact CE2-CD1 3.8Å; F62-L66 HydrophobicContact CE2-CG 4.3Å; F62-L66 HydrophobicContact CZ-CD1 3.52Å; F62-L66 HydrophobicContact CZ-CG 4.49Å; F62-L66 WeakPolarHBondContact O-CG 3.47Å; F62-L66 PolarHBondContact O-N 2.94Å; N63-L66 PolarHBondContact O-N 2.79Å; N63-L66 VanDerWaalsContact O-N 3.11Å; C64-L66 VanDerWaalsContact C-N 3.32Å; L66-L68 PolarHBondContact O-N 3.16Å; L66-L68 VanDerWaalsContact O-N 3.09Å; L66-L69 HydrophobicContact CD2-CD1 4.25Å; L66-L69 PolarHBondContact O-N 3.46Å; L66-L69 VanDerWaalsContact O-N 3.12Å; L66-P70 WeakPolarHBondContact O-CD 3.45Å; L66-F100 HydrophobicContact CD1-CZ 4.49Å; L66-V104 HydrophobicContact CB-CG1 4.48Å
67	I	96.1	Very high	92.6	Very high	18 Å²	18	23.7 Å²	23.7	9%	0.092	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.2	-166.1	-166.3	65	0	0	0	114.8	N63 C64 H101 V104 A105 I108 F216	N63-I67 PolarHBondContact O-N 3.5Å; C64-I67 WeakPolarHBondContact O-CG2 3.34Å; I67-H101 WeakPolarHBondContact CD1-ND1 3.22Å; I67-H101 VanDerWaalsContact CD1-O 3.24Å; I67-H101 WeakPolarHBondContact CD1-O 3.19Å; I67-H101 PolarHBondContact O-ND1 2.86Å; I67-V104 HydrophobicContact CB-CG1 4.09Å; I67-V104 HydrophobicContact CD1-CB 3.87Å; I67-V104 HydrophobicContact CD1-CG1 3.76Å; I67-V104 HydrophobicContact CG1-CG1 4.5Å; I67-A105 HydrophobicContact CD1-CB 4.11Å; I67-I108 HydrophobicContact CB-CD1 4.09Å; I67-I108 HydrophobicContact CD1-CD1 4.36Å; I67-I108 HydrophobicContact CG1-CD1 4.19Å; I67-I108 HydrophobicContact CG2-CD1 4.45Å; I67-F216 HydrophobicContact CG2-CE2 4.31Å; I67-F216 HydrophobicContact CG2-CZ 3.76Å
68	L	93.4	Very high	91.9	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.063	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-29.4	-179.4	-64.9	179.6	0	0	0	113.2	L66 V71 C72 F216 P276 M277 Y280	L66-L68 PolarHBondContact O-N 3.16Å; L66-L68 VanDerWaalsContact O-N 3.09Å; L68-V71 WeakPolarHBondContact O-CG2 3.45Å; L68-V71 PolarHBondContact O-N 3.37Å; L68-C72 PolarHBondContact O-N 2.82Å; L68-C72 PolarHBondContact O-SG 3.26Å; L68-F216 HydrophobicContact CD1-CE1 4.29Å; L68-F216 HydrophobicContact CD1-CE2 4.07Å; L68-F216 HydrophobicContact CD1-CZ 3.83Å; L68-F216 HydrophobicContact CD2-CE2 3.9Å; L68-F216 HydrophobicContact CD2-CZ 4.21Å; L68-F216 HydrophobicContact CG-CE2 4.04Å; L68-F216 HydrophobicContact CG-CZ 3.83Å; L68-P276 HydrophobicContact CD1-CB 4.49Å; L68-M277 HydrophobicContact CD1-CG 4.1Å; L68-Y280 HydrophobicContact CD2-CD2 4.35Å; L68-Y280 HydrophobicContact CD2-CE2 4.49Å
69	L	91.3	Very high	91.2	Very high	54 Å²	54	32.9 Å²	32.9	28%	0.283	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-63	-43.3	-174	-55	175.7	0	0	0	113.1	L66 V71 C72 P276 L279	L66-L69 HydrophobicContact CD2-CD1 4.25Å; L66-L69 PolarHBondContact O-N 3.46Å; L66-L69 VanDerWaalsContact O-N 3.12Å; L69-V71 PolarHBondContact O-N 3.37Å; L69-V71 VanDerWaalsContact O-N 3.17Å; L69-C72 PolarHBondContact O-N 2.96Å; L69-P276 HydrophobicContact CD2-CB 4.33Å; L69-L279 HydrophobicContact CD2-CD1 4.06Å
70	P	91.6	Very high	90.1	Very high	10 Å²	10	33.3 Å²	33.3	7%	0.065	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-70.5	-8.2	-179.8	-17	29.6	0	0	0	114.3	L66 L76 N97 F100 H101	L66-P70 WeakPolarHBondContact O-CD 3.45Å; P70-L76 VanDerWaalsContact O-CD1 3.29Å; P70-L76 WeakPolarHBondContact O-CD1 3.33Å; P70-N97 HydrophobicContact CB-CB 3.86Å; P70-N97 VanDerWaalsContact CB-O 3.28Å; P70-N97 WeakPolarHBondContact CB-O 3.4Å; P70-N97 WeakPolarHBondContact O-CB 3.41Å; P70-N97 PolarHBondContact O-OD1 3.23Å; P70-F100 HydrophobicContact CG-CD1 3.76Å; P70-F100 HydrophobicContact CG-CE1 4.36Å; P70-H101 HydrophobicContact CB-CB 4.11Å; P70-H101 HydrophobicContact CG-CB 4.45Å
71	V	91.1	Very high	88.7	Confident	36 Å²	36	35.7 Å²	35.7	22%	0.218	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-104	-5.6	177	-63.3	0	0	0	0	113	L68 L69 R73 L98 Y280	L68-V71 WeakPolarHBondContact O-CG2 3.45Å; L68-V71 PolarHBondContact O-N 3.37Å; L69-V71 PolarHBondContact O-N 3.37Å; L69-V71 VanDerWaalsContact O-N 3.17Å; V71-R73 VanDerWaalsContact C-N 3.34Å; V71-R73 PolarHBondContact O-N 3.33Å; V71-L98 HydrophobicContact CG1-CD2 4.25Å; V71-Y280 HydrophobicContact CG2-CE2 4.34Å
72	C	90.3	Very high	87.5	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	20%	0.201	C	C	.	.			trans	-75.5	79.5	174.3	-69.1	0	0	0	0	111	L68 L69 N74 L75 L76 E283	L68-C72 PolarHBondContact O-N 2.82Å; L68-C72 PolarHBondContact O-SG 3.26Å; L69-C72 PolarHBondContact O-N 2.96Å; C72-N74 VanDerWaalsContact C-N 3.3Å; C72-N74 PolarHBondContact O-N 3.15Å; C72-L75 HydrophobicContact CB-CB 3.85Å; C72-L75 HydrophobicContact CB-CD2 4.33Å; C72-L75 WeakPolarHBondContact O-CB 3.4Å; C72-L75 PolarHBondContact O-N 3.27Å; C72-L75 VanDerWaalsContact O-N 3.09Å; C72-L76 WeakPolarHBondContact O-CG 3.33Å; C72-L76 PolarHBondContact O-N 3.22Å; C72-E283 HydrophobicContact CB-CG 4.13Å
73	R	86.2	Confident	85.2	Confident	75 Å²	75	40.7 Å²	40.7	28%	0.283	23%	0.234	S	C	.	.	H	α-helix	trans	-57.6	-38.8	-173.1	-62.7	-174.1	-175.8	114.5	10.4	113.4	V71 L76 S77 E283 F326 F391	V71-R73 VanDerWaalsContact C-N 3.34Å; V71-R73 PolarHBondContact O-N 3.33Å; R73-L76 PolarHBondContact O-N 3.46Å; R73-S77 WeakPolarHBondContact O-CB 3.49Å; R73-S77 PolarHBondContact O-N 2.73Å; R73-S77 PolarHBondContact O-OG 3.3Å; R73-E283 PolarHBondContact N-OE1 3.37Å; R73-F326 VanDerWaalsContact NH1-CE2 3.33Å; R73-F391 HydrophobicContact CB-CD1 3.64Å; R73-F391 HydrophobicContact CB-CE1 3.55Å; R73-F391 HydrophobicContact CB-CZ 4.41Å
74	N	86	Confident	82.9	Confident	24 Å²	24	45.3 Å²	45.3	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-63.9	-42.9	177.5	-69.8	-34.6	0	0	0	112.6	C72 L76 S77 F78 E283 R290 F391	C72-N74 VanDerWaalsContact C-N 3.3Å; C72-N74 PolarHBondContact O-N 3.15Å; N74-L76 VanDerWaalsContact C-N 3.34Å; N74-S77 PolarHBondContact O-N 3.4Å; N74-F78 VanDerWaalsContact O-CB 3.32Å; N74-F78 WeakPolarHBondContact O-CB 3.49Å; N74-F78 PolarHBondContact O-N 2.83Å; N74-E283 HydrophobicContact CB-CG 4.21Å; N74-R290 PolarHBondContact ND2-NH2 3.33Å; N74-R290 PolarHBondContact OD1-NH1 2.92Å; N74-R290 PolarHBondContact OD1-NH2 2.72Å; N74-F391 WeakPolarHBondContact OD1-CE1 3.49Å
75	L	85.8	Confident	81	Confident	59 Å²	59	45.5 Å²	45.5	31%	0.309	27%	0.273	S	S	.	.	H	α-helix	trans	-63.3	-44.2	175.7	177.7	61.9	0	0	0	110.2	C72 F78 L79	C72-L75 HydrophobicContact CB-CB 3.85Å; C72-L75 HydrophobicContact CB-CD2 4.33Å; C72-L75 WeakPolarHBondContact O-CB 3.4Å; C72-L75 PolarHBondContact O-N 3.27Å; C72-L75 VanDerWaalsContact O-N 3.09Å; L75-F78 PolarHBondContact O-N 2.76Å; L75-L79 HydrophobicContact CD1-CD1 4.23Å; L75-L79 HydrophobicContact CD1-CG 4.23Å; L75-L79 HydrophobicContact CG-CD1 4.07Å; L75-L79 HydrophobicContact CG-CG 4.47Å; L75-L79 WeakPolarHBondContact O-CB 3.3Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.33Å; L75-L79 PolarHBondContact O-N 2.9Å
76	L	85.6	Confident	79.1	Confident	22 Å²	22	48 Å²	48	12%	0.115	29%	0.294	C	S	.	.	H	α-helix	trans	-63.7	-43	177.9	-67.3	168.3	0	0	0	112.3	P70 C72 R73 N74 L79 R80 L94 N97	P70-L76 VanDerWaalsContact O-CD1 3.29Å; P70-L76 WeakPolarHBondContact O-CD1 3.33Å; C72-L76 WeakPolarHBondContact O-CG 3.33Å; C72-L76 PolarHBondContact O-N 3.22Å; R73-L76 PolarHBondContact O-N 3.46Å; N74-L76 VanDerWaalsContact C-N 3.34Å; L76-L79 PolarHBondContact O-N 2.95Å; L76-R80 VanDerWaalsContact O-CB 3.26Å; L76-R80 WeakPolarHBondContact O-CB 3.33Å; L76-R80 PolarHBondContact O-N 3.1Å; L76-L94 HydrophobicContact CD2-CD2 4.11Å; L76-N97 HydrophobicContact CD1-CB 3.81Å; L76-N97 HydrophobicContact CD2-CB 4.38Å
77	S	79.6	Confident	77.9	Confident	38 Å²	38	48.9 Å²	48.9	27%	0.266	30%	0.303	S	S	.	.	H	α-helix	trans	-64.9	-40.2	175.3	-61	0	0	0	0	111.8	R73 N74 R80 G81	R73-S77 WeakPolarHBondContact O-CB 3.49Å; R73-S77 PolarHBondContact O-N 2.73Å; R73-S77 PolarHBondContact O-OG 3.3Å; N74-S77 PolarHBondContact O-N 3.4Å; S77-R80 PolarHBondContact O-N 2.99Å; S77-G81 PolarHBondContact O-N 3.18Å; S77-G81 VanDerWaalsContact O-N 3.07Å
78	F	82.1	Confident	76.6	Confident	140 Å²	140	49.7 Å²	49.7	61%	0.614	31%	0.309	S	S	*	.	H	α-helix	trans	-62.8	-46.4	173.8	175.2	-99.9	0	0	0	112.2	N74 L75 R80 G81 S82	N74-F78 VanDerWaalsContact O-CB 3.32Å; N74-F78 WeakPolarHBondContact O-CB 3.49Å; N74-F78 PolarHBondContact O-N 2.83Å; L75-F78 PolarHBondContact O-N 2.76Å; F78-R80 VanDerWaalsContact C-N 3.32Å; F78-R80 PolarHBondContact O-N 2.85Å; F78-G81 PolarHBondContact O-N 3.47Å; F78-S82 PolarHBondContact O-N 2.96Å; F78-S82 PolarHBondContact O-OG 3.02Å
79	L	80.9	Confident	75.7	Confident	72 Å²	72	56 Å²	56	38%	0.377	33%	0.332	S	S	.	.	H	α-helix	trans	-63.6	-37.8	176.9	-71.3	174.3	0	0	0	111.9	L75 L76 S82 C85 L94	L75-L79 HydrophobicContact CD1-CD1 4.23Å; L75-L79 HydrophobicContact CD1-CG 4.23Å; L75-L79 HydrophobicContact CG-CD1 4.07Å; L75-L79 HydrophobicContact CG-CG 4.47Å; L75-L79 WeakPolarHBondContact O-CB 3.3Å; L75-L79 VanDerWaalsContact O-CG 3.26Å; L75-L79 WeakPolarHBondContact O-CG 3.33Å; L75-L79 PolarHBondContact O-N 2.9Å; L76-L79 PolarHBondContact O-N 2.95Å; L79-S82 PolarHBondContact O-N 3.5Å; L79-C85 WeakPolarHBondContact O-CB 3.48Å; L79-L94 HydrophobicContact CB-CD1 4.04Å
80	R	76.3	Confident	75	Confident	9 Å²	9	56.2 Å²	56.2	3%	0.034	34%	0.335	C	S	.	.	H	α-helix	trans	-62.5	-40.1	176.1	-176.2	179.6	174.5	84.8	18.3	112.2	L76 S77 F78 R91 L94 D95 T393 E396 D397	L76-R80 VanDerWaalsContact O-CB 3.26Å; L76-R80 WeakPolarHBondContact O-CB 3.33Å; L76-R80 PolarHBondContact O-N 3.1Å; S77-R80 PolarHBondContact O-N 2.99Å; F78-R80 VanDerWaalsContact C-N 3.32Å; F78-R80 PolarHBondContact O-N 2.85Å; R80-R91 HydrophobicContact CG-CG 4.2Å; R80-R91 PolarHBondContact O-NE 3.26Å; R80-L94 HydrophobicContact CB-CD1 4.38Å; R80-D95 IonicContact CZ-OD1 2.95Å; R80-D95 IonicContact CZ-OD2 2.76Å; R80-D95 IonicContact NH1-OD1 3.22Å; R80-D95 PolarHBondContact NH1-OD1 3.38Å; R80-D95 IonicContact NH1-OD2 3.66Å; R80-D95 PolarHBondContact NH1-OD2 2.98Å; R80-T393 PolarHBondContact NH2-O 2.96Å; R80-E396 IonicContact CZ-OE2 3.29Å; R80-E396 IonicContact NE-OE2 3.11Å; R80-E396 PolarHBondContact NE-OE2 3.44Å; R80-E396 IonicContact NH2-OE2 3.68Å; R80-D397 IonicContact CZ-OD2 3.78Å; R80-D397 IonicContact NH2-OD1 3.91Å; R80-D397 IonicContact NH2-OD2 3.93Å; R80-D397 PolarHBondContact NH2-OD2 2.9Å
81	G	67.3	Low	74.3	Confident	65 Å²	65	59 Å²	59	67%	0.67	34%	0.344	S	S	*	.	H	α-helix	trans	-82.7	-10.6	178.3	0	0	0	0	0	115.4	S77 F78	S77-G81 PolarHBondContact O-N 3.18Å; S77-G81 VanDerWaalsContact O-N 3.07Å; F78-G81 PolarHBondContact O-N 3.47Å
82	S	70.7	Confident	73.6	Confident	29 Å²	29	58.7 Å²	58.7	20%	0.203	34%	0.339	C	S	.	.	S	Bend	trans	-77.8	148	-177.9	-66.5	0	0	0	0	112.7	F78 L79 A84 C85	F78-S82 PolarHBondContact O-N 2.96Å; F78-S82 PolarHBondContact O-OG 3.02Å; L79-S82 PolarHBondContact O-N 3.5Å; S82-A84 PolarHBondContact O-N 3.47Å; S82-A84 VanDerWaalsContact O-N 3.12Å; S82-C85 PolarHBondContact O-N 3.04Å
83	S	49.9	Very low	73.2	Confident	112 Å²	112	60.2 Å²	60.2	78%	0.783	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-63	-15.3	177.1	55.3	0	0	0	0	114.4	C85 C86	S83-C85 PolarHBondContact O-N 3.47Å; S83-C86 PolarHBondContact O-SG 3.28Å
84	A	50	Low	73	Confident	97 Å²	97	58.4 Å²	58.4	80%	0.802	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-69.3	-17.3	170.1	0	0	0	0	0	113.1	S82	S82-A84 PolarHBondContact O-N 3.47Å; S82-A84 VanDerWaalsContact O-N 3.12Å
85	C	56	Low	72.7	Confident	5 Å²	5	58.7 Å²	58.7	3%	0.034	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-112.5	39.2	-177.5	-163.2	0	0	0	0	112	L79 S82 S83 S87 V90 R91	L79-C85 WeakPolarHBondContact O-CB 3.48Å; S82-C85 PolarHBondContact O-N 3.04Å; S83-C85 PolarHBondContact O-N 3.47Å; C85-S87 PolarHBondContact O-N 2.9Å; C85-S87 VanDerWaalsContact O-N 3.15Å; C85-V90 HydrophobicContact CB-CG1 4.44Å; C85-V90 VanDerWaalsContact SG-CB 3.59Å; C85-V90 WeakPolarHBondContact SG-CG1 3.27Å; C85-R91 PolarHBondContact O-NE 3.31Å; C85-R91 VanDerWaalsContact SG-CG 3.53Å; C85-R91 PolarHBondContact SG-N 3.39Å
86	C	56	Low	72.6	Confident	100 Å²	100	58.6 Å²	58.6	68%	0.676	34%	0.339	S	S	*	.			trans	-65.4	-12.8	-177.6	-79.3	0	0	0	0	115	S83	S83-C86 PolarHBondContact O-SG 3.28Å
87	S	68.7	Low	72.7	Confident	48 Å²	48	59.2 Å²	59.2	34%	0.336	34%	0.342	S	S	.	.	S	Bend	trans	-98.3	129.4	177.7	-167.3	0	0	0	0	111.8	C85 R89 V90 R91	C85-S87 PolarHBondContact O-N 2.9Å; C85-S87 VanDerWaalsContact O-N 3.15Å; S87-R89 PolarHBondContact O-N 3.18Å; S87-V90 PolarHBondContact O-N 3.31Å; S87-R91 PolarHBondContact O-N 2.98Å
88	T	70	Confident	73.1	Confident	36 Å²	36	60.8 Å²	60.8	22%	0.221	35%	0.348	C	S	.	.	H	α-helix	trans	-49.1	-29.6	169.8	-39.3	0	0	0	0	112.4	R92 D397	T88-R92 WeakPolarHBondContact O-CB 3.23Å; T88-R92 PolarHBondContact O-N 2.64Å; T88-D397 HydrophobicContact CG2-CB 4.24Å
89	R	74.1	Confident	73.5	Confident	144 Å²	144	57.8 Å²	57.8	54%	0.543	34%	0.341	S	S	.	.	H	α-helix	trans	-63.9	-40.8	175.9	-75.4	-174	-87.4	-170.2	-6.5	112.9	L10 S87 Q93	L10-R89 HydrophobicContact CD2-CB 4.39Å; S87-R89 PolarHBondContact O-N 3.18Å; R89-Q93 PolarHBondContact O-N 2.67Å
90	V	76.1	Confident	74	Confident	59 Å²	59	56.1 Å²	56.1	36%	0.358	33%	0.331	S	S	.	.	H	α-helix	trans	-74.8	-40.6	-179.8	-175.9	0	0	0	0	110.2	L10 C85 S87 R92 Q93 L94	L10-V90 HydrophobicContact CD2-CG2 4.12Å; C85-V90 HydrophobicContact CB-CG1 4.44Å; C85-V90 VanDerWaalsContact SG-CB 3.59Å; C85-V90 WeakPolarHBondContact SG-CG1 3.27Å; S87-V90 PolarHBondContact O-N 3.31Å; V90-R92 PolarHBondContact O-N 3.06Å; V90-Q93 WeakPolarHBondContact O-CA 3.45Å; V90-Q93 WeakPolarHBondContact O-CB 3.43Å; V90-Q93 PolarHBondContact O-N 2.98Å; V90-L94 PolarHBondContact O-N 3.16Å
91	R	77.1	Confident	74.9	Confident	68 Å²	68	57 Å²	57	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-57.3	-47.6	173.8	-66.8	-175.5	-178.8	166.5	-1	112	R80 C85 S87 Q93 L94 D95 D397	R80-R91 HydrophobicContact CG-CG 4.2Å; R80-R91 PolarHBondContact O-NE 3.26Å; C85-R91 PolarHBondContact O-NE 3.31Å; C85-R91 VanDerWaalsContact SG-CG 3.53Å; C85-R91 PolarHBondContact SG-N 3.39Å; S87-R91 PolarHBondContact O-N 2.98Å; R91-Q93 PolarHBondContact O-N 3.21Å; R91-L94 WeakPolarHBondContact O-CA 3.49Å; R91-L94 WeakPolarHBondContact O-CB 3.31Å; R91-L94 PolarHBondContact O-N 3Å; R91-D95 PolarHBondContact O-N 3.05Å; R91-D397 WeakPolarHBondContact CD-OD1 3.29Å; R91-D397 IonicContact CZ-OD1 3.71Å; R91-D397 IonicContact NH1-OD1 3.08Å; R91-D397 PolarHBondContact NH1-OD1 3.32Å
92	R	76.6	Confident	76.2	Confident	29 Å²	29	58.1 Å²	58.1	11%	0.109	32%	0.322	C	S	.	.	H	α-helix	trans	-59.8	-32.4	175.4	-171.5	177.2	63.8	-177.3	-7.9	113	V6 N7 T88 V90 D95 R96	V6-R92 PolarHBondContact O-NH2 2.86Å; N7-R92 PolarHBondContact O-NH1 3.38Å; N7-R92 PolarHBondContact O-NH2 3.48Å; N7-R92 PolarHBondContact OD1-NH1 2.98Å; N7-R92 VanDerWaalsContact OD1-NH1 3.11Å; T88-R92 WeakPolarHBondContact O-CB 3.23Å; T88-R92 PolarHBondContact O-N 2.64Å; V90-R92 PolarHBondContact O-N 3.06Å; R92-D95 PolarHBondContact O-N 3.47Å; R92-R96 PolarHBondContact O-N 3.43Å
93	Q	82.5	Confident	77.4	Confident	33 Å²	33	59.4 Å²	59.4	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-68.9	-40.1	174.4	-177.3	59.4	12.6	0	0	111.7	L10 S11 V14 R89 V90 R91 D95 R96	L10-Q93 HydrophobicContact CD2-CB 4.09Å; S11-Q93 PolarHBondContact OG-OE1 3.44Å; V14-Q93 HydrophobicContact CG2-CG 4.34Å; R89-Q93 PolarHBondContact O-N 2.67Å; V90-Q93 WeakPolarHBondContact O-CA 3.45Å; V90-Q93 WeakPolarHBondContact O-CB 3.43Å; V90-Q93 PolarHBondContact O-N 2.98Å; R91-Q93 PolarHBondContact O-N 3.21Å; Q93-D95 VanDerWaalsContact C-N 3.28Å; Q93-D95 PolarHBondContact O-N 2.9Å; Q93-R96 PolarHBondContact O-N 2.86Å
94	L	81.8	Confident	79.6	Confident	38 Å²	38	54.1 Å²	54.1	20%	0.199	29%	0.288	C	S	.	.	H	α-helix	trans	-62.9	-34.7	173.4	-64.7	175.3	0	0	0	111.7	L76 L79 R80 V90 R91 R96 N97	L76-L94 HydrophobicContact CD2-CD2 4.11Å; L79-L94 HydrophobicContact CB-CD1 4.04Å; R80-L94 HydrophobicContact CB-CD1 4.38Å; V90-L94 PolarHBondContact O-N 3.16Å; R91-L94 WeakPolarHBondContact O-CA 3.49Å; R91-L94 WeakPolarHBondContact O-CB 3.31Å; R91-L94 PolarHBondContact O-N 3Å; L94-R96 PolarHBondContact O-N 2.87Å; L94-N97 WeakPolarHBondContact O-CB 3.32Å; L94-N97 PolarHBondContact O-N 3.4Å; L94-N97 VanDerWaalsContact O-N 3.12Å; L94-N97 PolarHBondContact O-ND2 3.04Å
95	D	79.8	Confident	81.9	Confident	30 Å²	30	50.9 Å²	50.9	16%	0.16	26%	0.261	C	S	.	.	H	α-helix	trans	-66.7	-20.5	177.9	-61.7	-27.6	0	0	0	113.2	R80 R91 R92 Q93 N97	R80-D95 IonicContact CZ-OD1 2.95Å; R80-D95 IonicContact CZ-OD2 2.76Å; R80-D95 IonicContact NH1-OD1 3.22Å; R80-D95 PolarHBondContact NH1-OD1 3.38Å; R80-D95 IonicContact NH1-OD2 3.66Å; R80-D95 PolarHBondContact NH1-OD2 2.98Å; R91-D95 PolarHBondContact O-N 3.05Å; R92-D95 PolarHBondContact O-N 3.47Å; Q93-D95 VanDerWaalsContact C-N 3.28Å; Q93-D95 PolarHBondContact O-N 2.9Å; D95-N97 PolarHBondContact O-N 3.38Å
96	R	82.9	Confident	83.8	Confident	57 Å²	57	58.4 Å²	58.4	22%	0.215	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	12.3	175.5	-65.9	176.3	175.7	-158.2	-2.5	113.5	E8 S11 R92 Q93 L94 L98 T99 F100	E8-R96 VanDerWaalsContact CD-NH2 3.27Å; E8-R96 IonicContact OE1-CZ 3.91Å; E8-R96 IonicContact OE1-NH1 3.5Å; E8-R96 IonicContact OE1-NH2 3.85Å; E8-R96 PolarHBondContact OE1-NH2 2.87Å; E8-R96 IonicContact OE2-CZ 2.88Å; E8-R96 VanDerWaalsContact OE2-CZ 3.29Å; E8-R96 IonicContact OE2-NH1 3.58Å; E8-R96 PolarHBondContact OE2-NH1 2.82Å; E8-R96 IonicContact OE2-NH2 3.01Å; E8-R96 PolarHBondContact OE2-NH2 2.85Å; E8-R96 VanDerWaalsContact OE2-NH2 3.11Å; S11-R96 PolarHBondContact OG-NH1 3.41Å; R92-R96 PolarHBondContact O-N 3.43Å; Q93-R96 PolarHBondContact O-N 2.86Å; L94-R96 PolarHBondContact O-N 2.87Å; R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 3.2Å; R96-T99 WeakPolarHBondContact O-CB 3.08Å; R96-T99 PolarHBondContact O-N 2.88Å; R96-F100 PolarHBondContact O-N 2.85Å
97	N	87.9	Confident	85.8	Confident	34 Å²	34	55 Å²	55	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-50.1	-45.3	-178.4	60.9	62.6	0	0	0	113.4	P70 L76 L94 D95 T99 F100 H101	P70-N97 HydrophobicContact CB-CB 3.86Å; P70-N97 VanDerWaalsContact CB-O 3.28Å; P70-N97 WeakPolarHBondContact CB-O 3.4Å; P70-N97 WeakPolarHBondContact O-CB 3.41Å; P70-N97 PolarHBondContact O-OD1 3.23Å; L76-N97 HydrophobicContact CD1-CB 3.81Å; L76-N97 HydrophobicContact CD2-CB 4.38Å; L94-N97 WeakPolarHBondContact O-CB 3.32Å; L94-N97 PolarHBondContact O-N 3.4Å; L94-N97 VanDerWaalsContact O-N 3.12Å; L94-N97 PolarHBondContact O-ND2 3.04Å; D95-N97 PolarHBondContact O-N 3.38Å; N97-T99 VanDerWaalsContact C-N 3.33Å; N97-T99 PolarHBondContact O-N 3.46Å; N97-F100 PolarHBondContact O-N 3.25Å; N97-H101 PolarHBondContact O-N 2.95Å
98	L	88.8	Confident	87.2	Confident	71 Å²	71	53 Å²	53	37%	0.372	25%	0.249	S	C	.	.	H	α-helix	trans	-70.9	-29.5	-178.4	-64.3	-172.1	0	0	0	112.5	V71 R96 K102	V71-L98 HydrophobicContact CG1-CD2 4.25Å; R96-L98 VanDerWaalsContact C-N 3.32Å; R96-L98 PolarHBondContact O-N 3.2Å; L98-K102 VanDerWaalsContact O-CG 3.31Å; L98-K102 WeakPolarHBondContact O-CG 3.47Å; L98-K102 PolarHBondContact O-N 3.46Å
99	T	89.4	Confident	88.6	Confident	78 Å²	78	52.3 Å²	52.3	48%	0.479	25%	0.247	S	C	.	.	H	α-helix	trans	-68.5	-43.7	172.9	-57.8	0	0	0	0	109.7	R96 N97 K102 M103	R96-T99 WeakPolarHBondContact O-CB 3.08Å; R96-T99 PolarHBondContact O-N 2.88Å; N97-T99 VanDerWaalsContact C-N 3.33Å; N97-T99 PolarHBondContact O-N 3.46Å; T99-K102 PolarHBondContact O-N 2.69Å; T99-M103 HydrophobicContact CG2-CE 4.39Å; T99-M103 PolarHBondContact O-N 2.72Å; T99-M103 VanDerWaalsContact O-N 3.11Å
100	F	92.6	Very high	89.7	Confident	37 Å²	37	49.9 Å²	49.9	16%	0.162	24%	0.244	C	C	.	.	H	α-helix	trans	-62.1	-44.9	174.4	-173.6	-110.5	0	0	0	112.3	W18 L66 P70 R96 N97 K102 M103 V104	W18-F100 HydrophobicContact CB-CE2 4.24Å; W18-F100 HydrophobicContact CB-CZ 4.47Å; W18-F100 HydrophobicContact CD2-CE2 4.04Å; W18-F100 HydrophobicContact CD2-CZ 4.46Å; W18-F100 HydrophobicContact CE3-CE2 4.44Å; W18-F100 AromaticContact CG-CE2 3.93Å; W18-F100 HydrophobicContact CG-CE2 3.93Å; W18-F100 HydrophobicContact CG-CZ 4.05Å; L66-F100 HydrophobicContact CD1-CZ 4.49Å; P70-F100 HydrophobicContact CG-CD1 3.76Å; P70-F100 HydrophobicContact CG-CE1 4.36Å; R96-F100 PolarHBondContact O-N 2.85Å; N97-F100 PolarHBondContact O-N 3.25Å; F100-K102 VanDerWaalsContact C-N 3.3Å; F100-K102 PolarHBondContact O-N 2.83Å; F100-M103 HydrophobicContact CB-CE 4.28Å; F100-M103 HydrophobicContact CD2-CE 3.91Å; F100-M103 PolarHBondContact O-N 2.92Å; F100-M103 VanDerWaalsContact O-N 3.09Å; F100-V104 HydrophobicContact CD1-CG2 4.13Å; F100-V104 HydrophobicContact CD2-CG2 4.47Å; F100-V104 HydrophobicContact CE1-CG2 3.75Å; F100-V104 HydrophobicContact CE2-CG2 4.1Å; F100-V104 HydrophobicContact CG-CG2 4.47Å; F100-V104 HydrophobicContact CZ-CG2 3.72Å; F100-V104 WeakPolarHBondContact O-CG2 3.43Å; F100-V104 PolarHBondContact O-N 3.19Å
101	H	94.9	Very high	90.7	Very high	27 Å²	27	47.7 Å²	47.7	13%	0.125	23%	0.23	C	C	.	.	H	α-helix	trans	-52.7	-45.5	173.7	175.8	88	0	0	0	112.4	I67 P70 N97 V104 A105	I67-H101 WeakPolarHBondContact CD1-ND1 3.22Å; I67-H101 VanDerWaalsContact CD1-O 3.24Å; I67-H101 WeakPolarHBondContact CD1-O 3.19Å; I67-H101 PolarHBondContact O-ND1 2.86Å; P70-H101 HydrophobicContact CB-CB 4.11Å; P70-H101 HydrophobicContact CG-CB 4.45Å; N97-H101 PolarHBondContact O-N 2.95Å; H101-V104 PolarHBondContact O-N 3.43Å; H101-A105 WeakPolarHBondContact O-CB 3.37Å; H101-A105 PolarHBondContact O-N 3.44Å
102	K	94.9	Very high	91.7	Very high	89 Å²	89	45.2 Å²	45.2	39%	0.387	22%	0.223	S	C	.	.	H	α-helix	trans	-65	-39.9	177.5	-69	165.7	-169.4	162.7	0	112.6	L98 T99 F100 A105 W106	L98-K102 VanDerWaalsContact O-CG 3.31Å; L98-K102 WeakPolarHBondContact O-CG 3.47Å; L98-K102 PolarHBondContact O-N 3.46Å; T99-K102 PolarHBondContact O-N 2.69Å; F100-K102 VanDerWaalsContact C-N 3.3Å; F100-K102 PolarHBondContact O-N 2.83Å; K102-A105 PolarHBondContact O-N 3Å; K102-W106 PolarHBondContact O-N 3.31Å; K102-W106 VanDerWaalsContact O-N 3.08Å
103	M	95	Very high	92.7	Very high	56 Å²	56	46.2 Å²	46.2	28%	0.276	24%	0.237	S	C	.	.	H	α-helix	trans	-64.2	-43.6	176.3	-69.4	-174.6	-65.7	0	0	111.5	I15 W18 T99 F100 A105 W106 M107	I15-M103 HydrophobicContact CD1-CE 3.79Å; I15-M103 HydrophobicContact CD1-SD 4.12Å; I15-M103 HydrophobicContact CG1-CE 3.83Å; I15-M103 HydrophobicContact CG1-SD 4.4Å; W18-M103 HydrophobicContact CH2-CB 4.24Å; W18-M103 HydrophobicContact CZ3-CB 4.37Å; T99-M103 HydrophobicContact CG2-CE 4.39Å; T99-M103 PolarHBondContact O-N 2.72Å; T99-M103 VanDerWaalsContact O-N 3.11Å; F100-M103 HydrophobicContact CB-CE 4.28Å; F100-M103 HydrophobicContact CD2-CE 3.91Å; F100-M103 PolarHBondContact O-N 2.92Å; F100-M103 VanDerWaalsContact O-N 3.09Å; M103-A105 VanDerWaalsContact C-N 3.34Å; M103-A105 PolarHBondContact O-N 2.88Å; M103-W106 PolarHBondContact O-N 2.81Å; M103-M107 PolarHBondContact O-N 3.01Å
104	V	97.4	Very high	93.5	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-41.7	174.8	177.9	0	0	0	0	110.9	W18 N63 L66 I67 F100 H101 W106 M107 I108	W18-V104 HydrophobicContact CZ2-CG2 4.1Å; N63-V104 HydrophobicContact CB-CG1 3.8Å; N63-V104 WeakPolarHBondContact O-CG1 3.39Å; L66-V104 HydrophobicContact CB-CG1 4.48Å; I67-V104 HydrophobicContact CB-CG1 4.09Å; I67-V104 HydrophobicContact CD1-CB 3.87Å; I67-V104 HydrophobicContact CD1-CG1 3.76Å; I67-V104 HydrophobicContact CG1-CG1 4.5Å; F100-V104 HydrophobicContact CD1-CG2 4.13Å; F100-V104 HydrophobicContact CD2-CG2 4.47Å; F100-V104 HydrophobicContact CE1-CG2 3.75Å; F100-V104 HydrophobicContact CE2-CG2 4.1Å; F100-V104 HydrophobicContact CG-CG2 4.47Å; F100-V104 HydrophobicContact CZ-CG2 3.72Å; F100-V104 WeakPolarHBondContact O-CG2 3.43Å; F100-V104 PolarHBondContact O-N 3.19Å; H101-V104 PolarHBondContact O-N 3.43Å; V104-W106 PolarHBondContact O-N 3.48Å; V104-M107 WeakPolarHBondContact O-CB 3.24Å; V104-M107 PolarHBondContact O-N 2.95Å; V104-I108 HydrophobicContact CG1-CD1 4.15Å; V104-I108 WeakPolarHBondContact O-CG1 3.42Å; V104-I108 PolarHBondContact O-N 3.33Å
105	A	97.2	Very high	94.2	Very high	29 Å²	29	46.4 Å²	46.4	24%	0.24	24%	0.238	C	C	.	.	H	α-helix	trans	-60.4	-42.7	176.7	0	0	0	0	0	112.7	I67 H101 K102 M103 M107 I108 A109	I67-A105 HydrophobicContact CD1-CB 4.11Å; H101-A105 WeakPolarHBondContact O-CB 3.37Å; H101-A105 PolarHBondContact O-N 3.44Å; K102-A105 PolarHBondContact O-N 3Å; M103-A105 VanDerWaalsContact C-N 3.34Å; M103-A105 PolarHBondContact O-N 2.88Å; A105-M107 VanDerWaalsContact C-N 3.34Å; A105-M107 PolarHBondContact O-N 3.06Å; A105-I108 WeakPolarHBondContact O-CB 3.3Å; A105-I108 PolarHBondContact O-N 3.05Å; A105-A109 PolarHBondContact O-N 3.33Å
106	W	96.9	Very high	95	Very high	164 Å²	164	47.2 Å²	47.2	62%	0.621	24%	0.244	S	C	*	.	H	α-helix	trans	-65.3	-36.5	174.5	-76.9	117.9	0	0	0	112.8	K102 M103 V104 A109 L110 I190	K102-W106 PolarHBondContact O-N 3.31Å; K102-W106 VanDerWaalsContact O-N 3.08Å; M103-W106 PolarHBondContact O-N 2.81Å; V104-W106 PolarHBondContact O-N 3.48Å; W106-A109 HydrophobicContact CE3-CB 4.39Å; W106-A109 WeakPolarHBondContact O-CB 3.35Å; W106-A109 PolarHBondContact O-N 3.29Å; W106-L110 PolarHBondContact O-N 3.35Å; W106-I190 HydrophobicContact CH2-CG2 4.27Å; W106-I190 HydrophobicContact CZ3-CG2 4.28Å
107	M	97.8	Very high	95.7	Very high	27 Å²	27	48.9 Å²	48.9	13%	0.133	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-38.7	174.2	-171.1	60.8	76.3	0	0	112	W18 L19 N63 M103 V104 A105 A109 L110 H111	W18-M107 HydrophobicContact CH2-CB 3.88Å; W18-M107 HydrophobicContact CH2-CE 3.76Å; W18-M107 HydrophobicContact CH2-CG 4.27Å; W18-M107 HydrophobicContact CZ2-CB 3.61Å; W18-M107 HydrophobicContact CZ2-CE 4.13Å; W18-M107 HydrophobicContact CZ2-CG 3.84Å; W18-M107 HydrophobicContact CZ3-CE 4.39Å; L19-M107 HydrophobicContact CD2-CE 3.74Å; N63-M107 WeakPolarHBondContact ND2-CG 3.42Å; M103-M107 PolarHBondContact O-N 3.01Å; V104-M107 WeakPolarHBondContact O-CB 3.24Å; V104-M107 PolarHBondContact O-N 2.95Å; A105-M107 VanDerWaalsContact C-N 3.34Å; A105-M107 PolarHBondContact O-N 3.06Å; M107-A109 VanDerWaalsContact C-N 3.34Å; M107-L110 PolarHBondContact O-N 2.74Å; M107-L110 HydrophobicContact SD-CD2 4.2Å; M107-H111 PolarHBondContact O-CD2 3.34Å; M107-H111 PolarHBondContact O-N 3.36Å
108	I	98.2	Very high	96.1	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.036	25%	0.249	C	C	.	.	H	α-helix	trans	-60.8	-45.2	172.1	-68.6	168.6	0	0	0	110	L60 N63 I67 V104 A105 L110 H111 T112 L186	L60-I108 HydrophobicContact CD2-CB 4.38Å; L60-I108 HydrophobicContact CD2-CG2 3.92Å; L60-I108 WeakPolarHBondContact CD2-O 3.42Å; N63-I108 HydrophobicContact CB-CD1 4.15Å; N63-I108 HydrophobicContact CB-CG1 3.58Å; I67-I108 HydrophobicContact CB-CD1 4.09Å; I67-I108 HydrophobicContact CD1-CD1 4.36Å; I67-I108 HydrophobicContact CG1-CD1 4.19Å; I67-I108 HydrophobicContact CG2-CD1 4.45Å; V104-I108 HydrophobicContact CG1-CD1 4.15Å; V104-I108 WeakPolarHBondContact O-CG1 3.42Å; V104-I108 PolarHBondContact O-N 3.33Å; A105-I108 WeakPolarHBondContact O-CB 3.3Å; A105-I108 PolarHBondContact O-N 3.05Å; I108-L110 PolarHBondContact O-N 3.2Å; I108-H111 PolarHBondContact O-N 3.28Å; I108-T112 VanDerWaalsContact O-CB 3.27Å; I108-T112 WeakPolarHBondContact O-CB 3.33Å; I108-T112 PolarHBondContact O-N 3.21Å; I108-T112 PolarHBondContact O-OG1 3.33Å; I108-L186 HydrophobicContact CG2-CD1 4.12Å; I108-L186 HydrophobicContact CG2-CD2 4.08Å
109	A	97.8	Very high	96.5	Very high	21 Å²	21	45.8 Å²	45.8	17%	0.174	24%	0.24	C	C	.	.	H	α-helix	trans	-59.3	-48.5	177.9	0	0	0	0	0	112	A105 W106 M107 T112 A113 I190	A105-A109 PolarHBondContact O-N 3.33Å; W106-A109 HydrophobicContact CE3-CB 4.39Å; W106-A109 WeakPolarHBondContact O-CB 3.35Å; W106-A109 PolarHBondContact O-N 3.29Å; M107-A109 VanDerWaalsContact C-N 3.34Å; A109-T112 PolarHBondContact O-N 3.06Å; A109-A113 PolarHBondContact O-N 3.44Å; A109-I190 HydrophobicContact CB-CD1 3.49Å; A109-I190 VanDerWaalsContact CB-CD1 3.49Å
110	L	97.6	Very high	96.7	Very high	94 Å²	94	47.5 Å²	47.5	49%	0.492	25%	0.245	S	C	.	.	H	α-helix	trans	-58.7	-53.2	178.7	175.6	64	0	0	0	111.6	W106 M107 I108 T112 A113 I114	W106-L110 PolarHBondContact O-N 3.35Å; M107-L110 PolarHBondContact O-N 2.74Å; M107-L110 HydrophobicContact SD-CD2 4.2Å; I108-L110 PolarHBondContact O-N 3.2Å; L110-T112 VanDerWaalsContact C-N 3.29Å; L110-T112 PolarHBondContact O-N 3.34Å; L110-A113 PolarHBondContact O-N 3.23Å; L110-I114 HydrophobicContact CD1-CD1 4.17Å; L110-I114 HydrophobicContact CG-CD1 4.2Å; L110-I114 WeakPolarHBondContact O-CG1 3.37Å; L110-I114 PolarHBondContact O-N 3.15Å; L110-I114 VanDerWaalsContact O-N 3.14Å
111	H	98.3	Very high	96.9	Very high	13 Å²	13	50.3 Å²	50.3	6%	0.06	26%	0.257	C	S	.	.	H	α-helix	trans	-68.7	-28.6	-179.1	-76.3	-53.6	0	0	0	112.8	F26 P56 C59 L60 M107 I108 H115	F26-H111 AromaticContact CD2-CE1 3.95Å; P56-H111 HydrophobicContact CB-CB 3.97Å; P56-H111 WeakPolarHBondContact CB-O 3.44Å; C59-H111 WeakPolarHBondContact CB-CD2 3.25Å; C59-H111 VanDerWaalsContact CB-NE2 3.31Å; C59-H111 WeakPolarHBondContact CB-NE2 3.34Å; L60-H111 HydrophobicContact CD1-CB 4.48Å; L60-H111 HydrophobicContact CD2-CB 3.87Å; L60-H111 HydrophobicContact CG-CB 3.79Å; M107-H111 PolarHBondContact O-CD2 3.34Å; M107-H111 PolarHBondContact O-N 3.36Å; I108-H111 PolarHBondContact O-N 3.28Å; H111-H115 WeakPolarHBondContact O-CB 3.49Å; H111-H115 PolarHBondContact O-N 3.01Å
112	T	98.1	Very high	96.9	Very high	16 Å²	16	49.2 Å²	49.2	10%	0.098	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-46	172.5	-58.5	0	0	0	0	110.4	L60 I108 A109 L110 I114 H115 T116 L186	L60-T112 WeakPolarHBondContact CD2-OG1 3.49Å; I108-T112 VanDerWaalsContact O-CB 3.27Å; I108-T112 WeakPolarHBondContact O-CB 3.33Å; I108-T112 PolarHBondContact O-N 3.21Å; I108-T112 PolarHBondContact O-OG1 3.33Å; A109-T112 PolarHBondContact O-N 3.06Å; L110-T112 VanDerWaalsContact C-N 3.29Å; L110-T112 PolarHBondContact O-N 3.34Å; T112-I114 PolarHBondContact O-N 3.22Å; T112-H115 PolarHBondContact O-N 3.39Å; T112-T116 WeakPolarHBondContact O-CB 3.47Å; T112-T116 PolarHBondContact O-N 2.89Å; T112-T116 PolarHBondContact O-OG1 3.31Å; T112-L186 HydrophobicContact CG2-CD2 3.84Å; T112-L186 WeakPolarHBondContact OG1-CD2 2.99Å
113	A	97.6	Very high	97	Very high	49 Å²	49	46.5 Å²	46.5	41%	0.405	24%	0.243	S	C	.	.	H	α-helix	trans	-58.7	-49	177.3	0	0	0	0	0	111.7	A109 L110 H115 T116 I117	A109-A113 PolarHBondContact O-N 3.44Å; L110-A113 PolarHBondContact O-N 3.23Å; A113-H115 PolarHBondContact O-N 3.35Å; A113-T116 PolarHBondContact O-N 3.45Å; A113-I117 WeakPolarHBondContact O-CB 3.43Å; A113-I117 WeakPolarHBondContact O-CD1 3.42Å; A113-I117 WeakPolarHBondContact O-CG1 3.41Å; A113-I117 PolarHBondContact O-N 3.43Å
114	I	98.1	Very high	97	Very high	56 Å²	56	48 Å²	48	29%	0.287	25%	0.249	S	C	.	.	H	α-helix	trans	-61.8	-45.5	178.3	-58.1	168.2	0	0	0	110.8	P56 L110 T112 A118	P56-I114 HydrophobicContact CB-CB 4.47Å; P56-I114 HydrophobicContact CG-CB 3.96Å; P56-I114 HydrophobicContact CG-CG2 3.55Å; L110-I114 HydrophobicContact CD1-CD1 4.17Å; L110-I114 HydrophobicContact CG-CD1 4.2Å; L110-I114 WeakPolarHBondContact O-CG1 3.37Å; L110-I114 PolarHBondContact O-N 3.15Å; L110-I114 VanDerWaalsContact O-N 3.14Å; T112-I114 PolarHBondContact O-N 3.22Å; I114-A118 VanDerWaalsContact O-CB 3.32Å; I114-A118 WeakPolarHBondContact O-CB 3.47Å; I114-A118 PolarHBondContact O-N 3.15Å
115	H	97.4	Very high	96.9	Very high	20 Å²	20	52.2 Å²	52.2	9%	0.093	27%	0.265	C	S	.	.	H	α-helix	trans	-59.5	-49.4	179.1	179.5	70.3	0	0	0	112.3	A53 P56 L60 H111 T112 A113 A118 H119 H222	A53-H115 PolarHBondContact O-ND1 2.92Å; P56-H115 HydrophobicContact CB-CB 4.04Å; L60-H115 HydrophobicContact CD1-CB 4.03Å; H111-H115 WeakPolarHBondContact O-CB 3.49Å; H111-H115 PolarHBondContact O-N 3.01Å; T112-H115 PolarHBondContact O-N 3.39Å; A113-H115 PolarHBondContact O-N 3.35Å; H115-A118 PolarHBondContact O-N 2.95Å; H115-H119 AromaticContact CD2-CD2 3.84Å; H115-H119 AromaticContact CE1-CD2 3.16Å; H115-H119 PolarHBondContact CE1-CD2 3.45Å; H115-H119 AromaticContact CE1-NE2 3.02Å; H115-H119 PolarHBondContact CE1-NE2 2.86Å; H115-H119 AromaticContact CG-CD2 3.96Å; H115-H119 AromaticContact ND1-CD2 3.55Å; H115-H119 AromaticContact ND1-NE2 3.68Å; H115-H119 AromaticContact NE2-CD2 3.35Å; H115-H119 PolarHBondContact NE2-CD2 3.4Å; H115-H119 AromaticContact NE2-NE2 3.56Å; H115-H119 PolarHBondContact O-CD2 3.23Å; H115-H119 PolarHBondContact O-N 2.95Å; H115-H222 AromaticContact NE2-NE2 3.81Å
116	T	96.6	Very high	96.8	Very high	46 Å²	46	50.9 Å²	50.9	28%	0.282	26%	0.255	S	S	.	.	H	α-helix	trans	-65	-46.9	-178.9	-60.9	0	0	0	0	110.8	T112 A113 A118 H119 L120	T112-T116 WeakPolarHBondContact O-CB 3.47Å; T112-T116 PolarHBondContact O-N 2.89Å; T112-T116 PolarHBondContact O-OG1 3.31Å; A113-T116 PolarHBondContact O-N 3.45Å; T116-A118 VanDerWaalsContact C-N 3.34Å; T116-A118 PolarHBondContact O-N 3.39Å; T116-H119 PolarHBondContact O-N 3.44Å; T116-H119 VanDerWaalsContact O-N 3.12Å; T116-L120 WeakPolarHBondContact O-CG 3.23Å; T116-L120 PolarHBondContact O-N 2.79Å
117	I	96.9	Very high	96.8	Very high	93 Å²	93	43.2 Å²	43.2	48%	0.477	23%	0.226	S	C	.	.	H	α-helix	trans	-59.3	-45.9	177.5	-68.7	166.9	0	0	0	110.8	A113 H119 L120 F121	A113-I117 WeakPolarHBondContact O-CB 3.43Å; A113-I117 WeakPolarHBondContact O-CD1 3.42Å; A113-I117 WeakPolarHBondContact O-CG1 3.41Å; A113-I117 PolarHBondContact O-N 3.43Å; I117-H119 VanDerWaalsContact C-N 3.3Å; I117-H119 PolarHBondContact O-N 2.95Å; I117-L120 WeakPolarHBondContact O-CB 3.44Å; I117-L120 PolarHBondContact O-N 3.03Å; I117-F121 HydrophobicContact CG2-CD2 4.01Å; I117-F121 HydrophobicContact CG2-CE2 3.62Å; I117-F121 VanDerWaalsContact O-CD2 3.27Å; I117-F121 WeakPolarHBondContact O-CD2 3.39Å; I117-F121 PolarHBondContact O-N 2.73Å
118	A	97.4	Very high	96.7	Very high	5 Å²	5	43.2 Å²	43.2	4%	0.041	23%	0.226	C	C	.	.	H	α-helix	trans	-62.1	-37.7	176.9	0	0	0	0	0	112.1	L52 A53 I114 H115 T116 F121 N122	L52-A118 HydrophobicContact CB-CB 3.97Å; A53-A118 HydrophobicContact CB-CB 3.82Å; I114-A118 VanDerWaalsContact O-CB 3.32Å; I114-A118 WeakPolarHBondContact O-CB 3.47Å; I114-A118 PolarHBondContact O-N 3.15Å; H115-A118 PolarHBondContact O-N 2.95Å; T116-A118 VanDerWaalsContact C-N 3.34Å; T116-A118 PolarHBondContact O-N 3.39Å; A118-F121 PolarHBondContact O-N 3.22Å; A118-N122 PolarHBondContact O-N 3.17Å; A118-N122 PolarHBondContact O-ND2 2.9Å
119	H	95.8	Very high	96.6	Very high	35 Å²	35	43 Å²	43	16%	0.162	23%	0.225	C	C	.	.	H	α-helix	trans	-67.9	-34.2	174.1	-88.2	-63.5	0	0	0	113.7	H115 T116 I117 N122 V123	H115-H119 AromaticContact CD2-CD2 3.84Å; H115-H119 AromaticContact CE1-CD2 3.16Å; H115-H119 PolarHBondContact CE1-CD2 3.45Å; H115-H119 AromaticContact CE1-NE2 3.02Å; H115-H119 PolarHBondContact CE1-NE2 2.86Å; H115-H119 AromaticContact CG-CD2 3.96Å; H115-H119 AromaticContact ND1-CD2 3.55Å; H115-H119 AromaticContact ND1-NE2 3.68Å; H115-H119 AromaticContact NE2-CD2 3.35Å; H115-H119 PolarHBondContact NE2-CD2 3.4Å; H115-H119 AromaticContact NE2-NE2 3.56Å; H115-H119 PolarHBondContact O-CD2 3.23Å; H115-H119 PolarHBondContact O-N 2.95Å; T116-H119 PolarHBondContact O-N 3.44Å; T116-H119 VanDerWaalsContact O-N 3.12Å; I117-H119 VanDerWaalsContact C-N 3.3Å; I117-H119 PolarHBondContact O-N 2.95Å; H119-N122 PolarHBondContact O-N 3.26Å; H119-V123 VanDerWaalsContact O-CG2 3.3Å; H119-V123 WeakPolarHBondContact O-CG2 3.46Å; H119-V123 PolarHBondContact O-N 3.41Å
120	L	95.4	Very high	96.5	Very high	114 Å²	114	42.8 Å²	42.8	60%	0.597	22%	0.22	S	C	*	.	H	α-helix	trans	-61.2	-46.7	173.7	-67.5	174.3	0	0	0	111.1	T116 I117 N122 V123 E124	T116-L120 WeakPolarHBondContact O-CG 3.23Å; T116-L120 PolarHBondContact O-N 2.79Å; I117-L120 WeakPolarHBondContact O-CB 3.44Å; I117-L120 PolarHBondContact O-N 3.03Å; L120-N122 PolarHBondContact O-N 3.21Å; L120-V123 PolarHBondContact O-N 2.61Å; L120-E124 WeakPolarHBondContact O-CB 3.49Å; L120-E124 PolarHBondContact O-N 3.49Å
121	F	96.1	Very high	96.4	Very high	95 Å²	95	40 Å²	40	42%	0.417	21%	0.207	S	C	.	.	H	α-helix	trans	-60.8	-43.8	173.5	-72.8	-62.3	0	0	0	112.3	A49 I117 A118 V123 E124 W125	A49-F121 HydrophobicContact CB-CB 4.03Å; I117-F121 HydrophobicContact CG2-CD2 4.01Å; I117-F121 HydrophobicContact CG2-CE2 3.62Å; I117-F121 VanDerWaalsContact O-CD2 3.27Å; I117-F121 WeakPolarHBondContact O-CD2 3.39Å; I117-F121 PolarHBondContact O-N 2.73Å; A118-F121 PolarHBondContact O-N 3.22Å; F121-V123 VanDerWaalsContact C-N 3.31Å; F121-V123 PolarHBondContact O-N 3.35Å; F121-E124 PolarHBondContact O-N 2.69Å; F121-W125 HydrophobicContact CB-CH2 4.41Å; F121-W125 HydrophobicContact CB-CZ2 4.36Å; F121-W125 HydrophobicContact CB-CZ3 4.5Å; F121-W125 HydrophobicContact CD1-CZ2 4.33Å; F121-W125 WeakPolarHBondContact O-CB 3.34Å; F121-W125 VanDerWaalsContact O-CG 3.28Å; F121-W125 PolarHBondContact O-N 3.31Å
122	N	95.6	Very high	96.1	Very high	5 Å²	5	41.5 Å²	41.5	3%	0.027	23%	0.226	C	C	.	.	H	α-helix	trans	-60	-41.9	177.6	-71	-38.4	0	0	0	112.1	L46 A49 L50 A53 A118 H119 L120 C126	L46-N122 HydrophobicContact CD1-CB 4.5Å; L46-N122 HydrophobicContact CD2-CB 4.02Å; A49-N122 VanDerWaalsContact CB-OD1 3.27Å; A49-N122 WeakPolarHBondContact CB-OD1 3.37Å; A49-N122 PolarHBondContact O-ND2 2.99Å; L50-N122 PolarHBondContact N-OD1 3.5Å; A53-N122 WeakPolarHBondContact CB-ND2 3.3Å; A118-N122 PolarHBondContact O-N 3.17Å; A118-N122 PolarHBondContact O-ND2 2.9Å; H119-N122 PolarHBondContact O-N 3.26Å; L120-N122 PolarHBondContact O-N 3.21Å; N122-C126 VanDerWaalsContact O-CB 3.29Å; N122-C126 WeakPolarHBondContact O-CB 3.34Å; N122-C126 PolarHBondContact O-N 3.11Å; N122-C126 PolarHBondContact O-SG 2.88Å; N122-C126 VanDerWaalsContact O-SG 3.36Å
123	V	95.6	Very high	95.8	Very high	32 Å²	32	46.3 Å²	46.3	19%	0.194	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-46.9	177.1	169.3	0	0	0	0	110.5	H119 L120 F121 W125 C126 V127 F155 L169	H119-V123 VanDerWaalsContact O-CG2 3.3Å; H119-V123 WeakPolarHBondContact O-CG2 3.46Å; H119-V123 PolarHBondContact O-N 3.41Å; L120-V123 PolarHBondContact O-N 2.61Å; F121-V123 VanDerWaalsContact C-N 3.31Å; F121-V123 PolarHBondContact O-N 3.35Å; V123-W125 PolarHBondContact O-N 2.68Å; V123-C126 PolarHBondContact O-N 2.77Å; V123-V127 HydrophobicContact CG1-CG2 4.4Å; V123-V127 WeakPolarHBondContact O-CG2 3.38Å; V123-V127 PolarHBondContact O-N 3.06Å; V123-F155 HydrophobicContact CG2-CE2 4.15Å; V123-F155 HydrophobicContact CG2-CZ 3.95Å; V123-L169 HydrophobicContact CG1-CD1 4.12Å
124	E	95.3	Very high	95.5	Very high	86 Å²	86	46.3 Å²	46.3	40%	0.402	25%	0.248	S	C	.	.	H	α-helix	trans	-56.9	-49.9	179	-175	-178	170.5	0	0	111.6	L120 F121 V127 N128 N162	L120-E124 WeakPolarHBondContact O-CB 3.49Å; L120-E124 PolarHBondContact O-N 3.49Å; F121-E124 PolarHBondContact O-N 2.69Å; E124-V127 PolarHBondContact O-N 2.76Å; E124-N128 WeakPolarHBondContact O-CB 3.41Å; E124-N128 VanDerWaalsContact O-CG 3.27Å; E124-N128 PolarHBondContact O-N 3.41Å; E124-N128 PolarHBondContact O-ND2 2.71Å; E124-N162 PolarHBondContact O-ND2 2.91Å
125	W	95.8	Very high	95.2	Very high	89 Å²	89	47.7 Å²	47.7	34%	0.337	26%	0.256	S	S	.	.	H	α-helix	trans	-65.7	-41.3	-179.9	-64	-18.1	0	0	0	112.6	L46 A49 F121 V123 V127 N128 A129	L46-W125 WeakPolarHBondContact O-CZ3 3.34Å; A49-W125 HydrophobicContact CB-CE3 4.12Å; A49-W125 HydrophobicContact CB-CH2 3.99Å; A49-W125 HydrophobicContact CB-CZ3 3.39Å; F121-W125 HydrophobicContact CB-CH2 4.41Å; F121-W125 HydrophobicContact CB-CZ2 4.36Å; F121-W125 HydrophobicContact CB-CZ3 4.5Å; F121-W125 HydrophobicContact CD1-CZ2 4.33Å; F121-W125 WeakPolarHBondContact O-CB 3.34Å; F121-W125 VanDerWaalsContact O-CG 3.28Å; F121-W125 PolarHBondContact O-N 3.31Å; V123-W125 PolarHBondContact O-N 2.68Å; W125-V127 PolarHBondContact O-N 3.13Å; W125-N128 PolarHBondContact O-N 2.75Å; W125-A129 VanDerWaalsContact O-CB 3.31Å; W125-A129 WeakPolarHBondContact O-CB 3.29Å; W125-A129 PolarHBondContact O-N 3Å
126	C	95.6	Very high	94.8	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.014	29%	0.286	C	S	.	.	H	α-helix	trans	-58.3	-46.1	172.5	-85.4	0	0	0	0	112.5	L46 N122 V123 R130 N154 F155 A156	L46-C126 VanDerWaalsContact CD2-SG 3.6Å; N122-C126 VanDerWaalsContact O-CB 3.29Å; N122-C126 WeakPolarHBondContact O-CB 3.34Å; N122-C126 PolarHBondContact O-N 3.11Å; N122-C126 PolarHBondContact O-SG 2.88Å; N122-C126 VanDerWaalsContact O-SG 3.36Å; V123-C126 PolarHBondContact O-N 2.77Å; C126-R130 WeakPolarHBondContact O-CB 3.28Å; C126-R130 PolarHBondContact O-N 3.48Å; C126-N154 WeakPolarHBondContact CB-OD1 3.36Å; C126-N154 PolarHBondContact O-ND2 3.37Å; C126-N154 PolarHBondContact SG-OD1 2.89Å; C126-F155 HydrophobicContact CB-CE1 4.43Å; C126-F155 HydrophobicContact CB-CZ 4.27Å; C126-F155 VanDerWaalsContact SG-CE1 3.58Å; C126-A156 HydrophobicContact CB-CB 4.11Å
127	V	96.5	Very high	94.4	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-46.1	-179.8	171.5	0	0	0	0	110.7	V123 E124 W125 A129 R130 V131 A156 I160 N162 L169	V123-V127 HydrophobicContact CG1-CG2 4.4Å; V123-V127 WeakPolarHBondContact O-CG2 3.38Å; V123-V127 PolarHBondContact O-N 3.06Å; E124-V127 PolarHBondContact O-N 2.76Å; W125-V127 PolarHBondContact O-N 3.13Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 2.99Å; V127-R130 WeakPolarHBondContact O-CB 3.17Å; V127-R130 PolarHBondContact O-N 3.26Å; V127-V131 WeakPolarHBondContact O-CG2 3.26Å; V127-V131 PolarHBondContact O-N 3.28Å; V127-A156 HydrophobicContact CG2-CB 4.18Å; V127-I160 WeakPolarHBondContact CG1-O 2.86Å; V127-N162 WeakPolarHBondContact CB-ND2 3.33Å; V127-N162 HydrophobicContact CG1-CB 4.42Å; V127-N162 VanDerWaalsContact CG1-CG 3.47Å; V127-N162 WeakPolarHBondContact CG1-ND2 3.28Å; V127-N162 VanDerWaalsContact CG1-OD1 3.31Å; V127-N162 WeakPolarHBondContact CG1-OD1 3.38Å; V127-L169 HydrophobicContact CG2-CD1 3.56Å
128	N	95.9	Very high	94.2	Very high	27 Å²	27	46.3 Å²	46.3	14%	0.144	26%	0.258	C	S	.	.	H	α-helix	trans	-58.6	-44.5	177.9	-75.1	-13.5	0	0	0	111.7	E124 W125 R130 V131 G132 N133 N162	E124-N128 WeakPolarHBondContact O-CB 3.41Å; E124-N128 VanDerWaalsContact O-CG 3.27Å; E124-N128 PolarHBondContact O-N 3.41Å; E124-N128 PolarHBondContact O-ND2 2.71Å; W125-N128 PolarHBondContact O-N 2.75Å; N128-R130 VanDerWaalsContact C-N 3.31Å; N128-R130 PolarHBondContact O-N 2.86Å; N128-V131 WeakPolarHBondContact O-CG2 3.33Å; N128-V131 PolarHBondContact O-N 3.5Å; N128-G132 PolarHBondContact O-N 2.78Å; N128-N133 CarbonylContact O-C 3.59Å; N128-N133 WeakPolarHBondContact O-CA 3.42Å; N128-N133 PolarHBondContact O-N 3.11Å; N128-N162 PolarHBondContact OD1-ND2 2.79Å
129	A	95.3	Very high	94	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-63.6	-34.3	174.6	0	0	0	0	0	112.9	L45 W125 V127	L45-A129 HydrophobicContact CD1-CB 3.55Å; W125-A129 VanDerWaalsContact O-CB 3.31Å; W125-A129 WeakPolarHBondContact O-CB 3.29Å; W125-A129 PolarHBondContact O-N 3Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 2.99Å
130	R	95.1	Very high	93.7	Very high	18 Å²	18	48.2 Å²	48.2	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-71.6	-35.2	179.1	-171.1	61.1	177.9	169.4	3.9	113.6	C126 V127 N128 G132 S142 D146 A156 R157 R159	C126-R130 WeakPolarHBondContact O-CB 3.28Å; C126-R130 PolarHBondContact O-N 3.48Å; V127-R130 WeakPolarHBondContact O-CB 3.17Å; V127-R130 PolarHBondContact O-N 3.26Å; N128-R130 VanDerWaalsContact C-N 3.31Å; N128-R130 PolarHBondContact O-N 2.86Å; R130-G132 VanDerWaalsContact C-N 3.32Å; R130-S142 WeakPolarHBondContact CA-OG 3.27Å; R130-S142 WeakPolarHBondContact CD-OG 3.32Å; R130-S142 PolarHBondContact N-OG 2.75Å; R130-S142 PolarHBondContact NH1-O 2.78Å; R130-D146 IonicContact CZ-OD1 3.36Å; R130-D146 IonicContact CZ-OD2 3.35Å; R130-D146 IonicContact NH1-OD1 2.68Å; R130-D146 PolarHBondContact NH1-OD1 3.38Å; R130-D146 IonicContact NH1-OD2 2.77Å; R130-D146 PolarHBondContact NH1-OD2 3.4Å; R130-D146 IonicContact NH2-OD1 3.06Å; R130-D146 PolarHBondContact NH2-OD1 2.84Å; R130-D146 IonicContact NH2-OD2 2.68Å; R130-D146 PolarHBondContact NH2-OD2 2.8Å; R130-A156 WeakPolarHBondContact CD-O 3.44Å; R130-A156 WeakPolarHBondContact CG-O 3.45Å; R130-R157 VanDerWaalsContact CZ-O 3.24Å; R130-R157 PolarHBondContact NE-O 2.79Å; R130-R157 PolarHBondContact NH2-O 2.84Å; R130-R159 HydrophobicContact CG-CG 4.27Å
131	V	95.4	Very high	93.5	Very high	36 Å²	36	42.8 Å²	42.8	22%	0.218	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	3.4	178.7	-58.8	0	0	0	0	113.8	V127 N128 N133 I160 K161	V127-V131 WeakPolarHBondContact O-CG2 3.26Å; V127-V131 PolarHBondContact O-N 3.28Å; N128-V131 WeakPolarHBondContact O-CG2 3.33Å; N128-V131 PolarHBondContact O-N 3.5Å; V131-N133 VanDerWaalsContact C-N 3.33Å; V131-N133 HydrophobicContact CG2-CB 3.89Å; V131-I160 WeakPolarHBondContact CG1-O 3.2Å; V131-K161 HydrophobicContact CB-CG 4.31Å; V131-K161 HydrophobicContact CG1-CG 4.15Å; V131-K161 HydrophobicContact CG2-CG 4.34Å
132	G	92.5	Very high	93.4	Very high	44 Å²	44	38.3 Å²	38.3	45%	0.454	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.5	10.8	-179.3	0	0	0	0	0	114.5	N128 R130 S134	N128-G132 PolarHBondContact O-N 2.78Å; R130-G132 VanDerWaalsContact C-N 3.32Å; G132-S134 VanDerWaalsContact C-N 3.28Å; G132-S134 PolarHBondContact O-N 2.55Å
133	N	92	Very high	93.1	Very high	116 Å²	116	40 Å²	40	62%	0.62	24%	0.242	S	C	*	.			trans	-95	46.8	178.6	-168.4	35.8	0	0	0	111.3	N128 V131	N128-N133 CarbonylContact O-C 3.59Å; N128-N133 WeakPolarHBondContact O-CA 3.42Å; N128-N133 PolarHBondContact O-N 3.11Å; V131-N133 VanDerWaalsContact C-N 3.33Å; V131-N133 HydrophobicContact CG2-CB 3.89Å
134	S	92.1	Very high	92.9	Very high	50 Å²	50	39.2 Å²	39.2	35%	0.35	24%	0.236	S	C	.	.	S	Bend	trans	-152.9	178.3	-178.5	-168.6	0	0	0	0	108.8	G132 S138	G132-S134 VanDerWaalsContact C-N 3.28Å; G132-S134 PolarHBondContact O-N 2.55Å; S134-S138 WeakPolarHBondContact OG-CB 3.43Å
135	D	91.1	Very high	92.5	Very high	84 Å²	84	36.2 Å²	36.2	45%	0.449	23%	0.229	S	C	.	.			trans	-62.6	150.1	176.6	64.6	-81.7	0	0	0	111.4	Y137 S138 V139	D135-Y137 PolarHBondContact O-N 3.39Å; D135-Y137 WeakPolarHBondContact OD2-CB 3.45Å; D135-Y137 PolarHBondContact OD2-N 2.76Å; D135-S138 VanDerWaalsContact CG-OG 3.29Å; D135-S138 PolarHBondContact O-N 2.88Å; D135-S138 VanDerWaalsContact O-N 3.1Å; D135-S138 VanDerWaalsContact OD1-CB 3.27Å; D135-S138 WeakPolarHBondContact OD1-CB 3.32Å; D135-S138 PolarHBondContact OD1-OG 3.37Å; D135-S138 PolarHBondContact OD2-N 2.93Å; D135-S138 PolarHBondContact OD2-OG 3.29Å; D135-V139 WeakPolarHBondContact O-CG2 3.4Å; D135-V139 PolarHBondContact O-N 3.21Å
136	A	88.4	Confident	92.1	Very high	87 Å²	87	35.9 Å²	35.9	72%	0.719	23%	0.233	S	C	*	.	H	α-helix	trans	-56.7	-29.2	-174.9	0	0	0	0	0	113	A140	A136-A140 WeakPolarHBondContact O-CB 3.29Å; A136-A140 PolarHBondContact O-N 3.22Å
137	Y	89.5	Confident	91.7	Very high	40 Å²	40	44.6 Å²	44.6	16%	0.157	27%	0.266	C	S	.	.	H	α-helix	trans	-68.6	-51.1	178	-170.6	-70.8	0	0	0	110.9	Y41 K44 D135 V139 A140 L141 E245 I248	Y41-Y137 HydrophobicContact CD1-CE1 4.37Å; Y41-Y137 WeakPolarHBondContact CD1-OH 3.42Å; Y41-Y137 WeakPolarHBondContact CE1-OH 3.35Å; K44-Y137 HydrophobicContact CB-CD1 4.13Å; K44-Y137 HydrophobicContact CB-CE1 3.66Å; K44-Y137 HydrophobicContact CD-CE1 4.36Å; K44-Y137 HydrophobicContact CG-CE1 3.8Å; D135-Y137 PolarHBondContact O-N 3.39Å; D135-Y137 WeakPolarHBondContact OD2-CB 3.45Å; D135-Y137 PolarHBondContact OD2-N 2.76Å; Y137-V139 VanDerWaalsContact C-N 3.31Å; Y137-V139 PolarHBondContact O-N 2.78Å; Y137-A140 PolarHBondContact O-N 2.92Å; Y137-L141 HydrophobicContact CD1-CD1 3.84Å; Y137-L141 HydrophobicContact CD1-CG 4.21Å; Y137-L141 HydrophobicContact CE1-CD1 3.54Å; Y137-L141 HydrophobicContact CE1-CG 4.03Å; Y137-L141 PolarHBondContact O-N 3.11Å; Y137-E245 HydrophobicContact CE2-CG 3.76Å; Y137-E245 WeakPolarHBondContact OH-CG 3.36Å; Y137-I248 HydrophobicContact CD1-CD1 4.41Å; Y137-I248 HydrophobicContact CD2-CD1 2.97Å; Y137-I248 HydrophobicContact CD2-CG1 4.23Å; Y137-I248 HydrophobicContact CE2-CD1 3.1Å; Y137-I248 HydrophobicContact CE2-CG1 3.94Å; Y137-I248 HydrophobicContact CG-CD1 3.63Å
138	S	92.6	Very high	90.7	Very high	3 Å²	3	53 Å²	53	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-38.8	175.4	-65.7	0	0	0	0	112.5	S134 D135 L141 S142	S134-S138 WeakPolarHBondContact OG-CB 3.43Å; D135-S138 VanDerWaalsContact CG-OG 3.29Å; D135-S138 PolarHBondContact O-N 2.88Å; D135-S138 VanDerWaalsContact O-N 3.1Å; D135-S138 VanDerWaalsContact OD1-CB 3.27Å; D135-S138 WeakPolarHBondContact OD1-CB 3.32Å; D135-S138 PolarHBondContact OD1-OG 3.37Å; D135-S138 PolarHBondContact OD2-N 2.93Å; D135-S138 PolarHBondContact OD2-OG 3.29Å; S138-L141 PolarHBondContact O-N 3.25Å; S138-S142 VanDerWaalsContact O-CB 3.26Å; S138-S142 WeakPolarHBondContact O-CB 3.46Å; S138-S142 PolarHBondContact O-N 3.07Å
139	V	91.6	Very high	90	Very high	47 Å²	47	58.7 Å²	58.7	29%	0.285	34%	0.336	S	S	.	.	H	α-helix	trans	-63.8	-44.1	175.5	177.2	0	0	0	0	111.2	D135 Y137 S142 A143	D135-V139 WeakPolarHBondContact O-CG2 3.4Å; D135-V139 PolarHBondContact O-N 3.21Å; Y137-V139 VanDerWaalsContact C-N 3.31Å; Y137-V139 PolarHBondContact O-N 2.78Å; V139-S142 WeakPolarHBondContact O-CB 3.14Å; V139-S142 PolarHBondContact O-N 3.33Å; V139-A143 PolarHBondContact O-N 2.94Å; V139-A143 VanDerWaalsContact O-N 3.07Å
140	A	89.9	Confident	89.6	Confident	33 Å²	33	60.3 Å²	60.3	27%	0.273	34%	0.343	S	S	.	.	H	α-helix	trans	-62.6	-43.5	176.8	0	0	0	0	0	112	A136 Y137 S142 A143 I248	A136-A140 WeakPolarHBondContact O-CB 3.29Å; A136-A140 PolarHBondContact O-N 3.22Å; Y137-A140 PolarHBondContact O-N 2.92Å; A140-S142 VanDerWaalsContact C-N 3.31Å; A140-S142 PolarHBondContact O-N 3.02Å; A140-A143 PolarHBondContact O-N 3.4Å; A140-I248 HydrophobicContact CB-CG2 3.76Å
141	L	91.9	Very high	89.5	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-62.1	-37.7	174.3	-76.9	-178.6	0	0	0	113	Y41 K44 Y137 S138 A143 L144 L153 W251	Y41-L141 HydrophobicContact CD1-CD1 4.31Å; Y41-L141 HydrophobicContact CD1-CD2 3.76Å; Y41-L141 HydrophobicContact CG-CD2 4.09Å; Y41-L141 WeakPolarHBondContact O-CD1 3.37Å; K44-L141 HydrophobicContact CB-CD1 4.14Å; Y137-L141 HydrophobicContact CD1-CD1 3.84Å; Y137-L141 HydrophobicContact CD1-CG 4.21Å; Y137-L141 HydrophobicContact CE1-CD1 3.54Å; Y137-L141 HydrophobicContact CE1-CG 4.03Å; Y137-L141 PolarHBondContact O-N 3.11Å; S138-L141 PolarHBondContact O-N 3.25Å; L141-A143 VanDerWaalsContact C-N 3.31Å; L141-L144 HydrophobicContact CD2-CD1 4.15Å; L141-L144 WeakPolarHBondContact O-CB 3.47Å; L141-L144 PolarHBondContact O-N 3.35Å; L141-L153 HydrophobicContact CB-CD2 4.42Å; L141-L153 HydrophobicContact CD1-CD2 4.26Å; L141-L153 HydrophobicContact CD2-CD2 4.28Å; L141-W251 HydrophobicContact CD2-CH2 3.82Å; L141-W251 HydrophobicContact CD2-CZ3 3.88Å
142	S	93.1	Very high	89.4	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	35%	0.347	C	S	.	.	H	α-helix	trans	-69.7	-27.8	179.5	-174.6	0	0	0	0	113	R130 S138 V139 A140 L144 N154	R130-S142 WeakPolarHBondContact CA-OG 3.27Å; R130-S142 WeakPolarHBondContact CD-OG 3.32Å; R130-S142 PolarHBondContact N-OG 2.75Å; R130-S142 PolarHBondContact NH1-O 2.78Å; S138-S142 VanDerWaalsContact O-CB 3.26Å; S138-S142 WeakPolarHBondContact O-CB 3.46Å; S138-S142 PolarHBondContact O-N 3.07Å; V139-S142 WeakPolarHBondContact O-CB 3.14Å; V139-S142 PolarHBondContact O-N 3.33Å; A140-S142 VanDerWaalsContact C-N 3.31Å; A140-S142 PolarHBondContact O-N 3.02Å; S142-L144 VanDerWaalsContact C-N 3.32Å; S142-N154 PolarHBondContact OG-ND2 2.85Å
143	A	90.6	Very high	89.5	Confident	41 Å²	41	59.9 Å²	59.9	34%	0.339	33%	0.327	S	S	.	.	H	α-helix	trans	-73.1	-21.7	177.1	0	0	0	0	0	113.5	V139 A140 L141 G145 D146	V139-A143 PolarHBondContact O-N 2.94Å; V139-A143 VanDerWaalsContact O-N 3.07Å; A140-A143 PolarHBondContact O-N 3.4Å; L141-A143 VanDerWaalsContact C-N 3.31Å; A143-G145 PolarHBondContact O-N 3.29Å; A143-D146 PolarHBondContact O-N 3.49Å
144	L	90.7	Very high	89.6	Confident	16 Å²	16	54.4 Å²	54.4	8%	0.084	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	138.3	179.9	-64.5	177.9	0	0	0	111.9	L141 S142 R157 W251 I259 P260 F262	L141-L144 HydrophobicContact CD2-CD1 4.15Å; L141-L144 WeakPolarHBondContact O-CB 3.47Å; L141-L144 PolarHBondContact O-N 3.35Å; S142-L144 VanDerWaalsContact C-N 3.32Å; L144-R157 PolarHBondContact O-NH1 3.16Å; L144-R157 PolarHBondContact O-NH2 3.05Å; L144-W251 HydrophobicContact CD1-CZ3 4.16Å; L144-I259 HydrophobicContact CD2-CG2 4.04Å; L144-P260 HydrophobicContact CD1-CG 4.08Å; L144-F262 HydrophobicContact CD1-CE2 3.77Å; L144-F262 HydrophobicContact CD1-CZ 4.48Å
145	G	87.7	Confident	89.6	Confident	23 Å²	23	52.9 Å²	52.9	24%	0.237	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.8	4.9	-179.9	0	0	0	0	0	114.7	A143 E150 S151 R157	A143-G145 PolarHBondContact O-N 3.29Å; G145-E150 PolarHBondContact N-OE2 3.39Å; G145-S151 PolarHBondContact N-O 2.87Å; G145-R157 PolarHBondContact O-NH2 3.45Å
146	D	86.8	Confident	89.8	Confident	82 Å²	82	49 Å²	49	44%	0.439	26%	0.264	S	S	.	.	S	Bend	trans	-81.5	-17.7	171.7	-72.7	-22	0	0	0	112.1	R130 A143 R157	R130-D146 IonicContact CZ-OD1 3.36Å; R130-D146 IonicContact CZ-OD2 3.35Å; R130-D146 IonicContact NH1-OD1 2.68Å; R130-D146 PolarHBondContact NH1-OD1 3.38Å; R130-D146 IonicContact NH1-OD2 2.77Å; R130-D146 PolarHBondContact NH1-OD2 3.4Å; R130-D146 IonicContact NH2-OD1 3.06Å; R130-D146 PolarHBondContact NH2-OD1 2.84Å; R130-D146 IonicContact NH2-OD2 2.68Å; R130-D146 PolarHBondContact NH2-OD2 2.8Å; A143-D146 PolarHBondContact O-N 3.49Å; D146-R157 IonicContact OD1-CZ 3.53Å; D146-R157 IonicContact OD1-NH2 2.84Å; D146-R157 PolarHBondContact OD1-NH2 2.86Å
147	R	86	Confident	89.9	Confident	185 Å²	185	47 Å²	47	70%	0.698	24%	0.238	S	C	*	.	S	Bend	trans	-103.8	158.8	178.7	-56.8	179.8	-177.2	159.3	-2.5	112	E150	R147-E150 HydrophobicContact CB-CG 4.17Å; R147-E150 WeakPolarHBondContact CD-OE1 3.48Å; R147-E150 PolarHBondContact O-N 3.07Å
148	Q	77.4	Confident	90	Very high	178 Å²	178	48.6 Å²	48.6	83%	0.832	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	137.4	176.8	-162.2	170.3	3.9	0	0	110.6	E150	Q148-E150 VanDerWaalsContact C-N 3.29Å; Q148-E150 PolarHBondContact O-N 3.33Å
149	N	81.3	Confident	90.1	Very high	148 Å²	148	56.7 Å²	56.7	79%	0.791	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	10	-176.4	-52.2	-32.1	0	0	0	116.4	Q261	N149-Q261 PolarHBondContact O-NE2 2.94Å
150	E	86.7	Confident	90.2	Very high	34 Å²	34	56.9 Å²	56.9	16%	0.159	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-97.4	135.2	169.1	-64.7	-177.3	-179.4	0	0	111.2	G145 R147 Q148 I259	G145-E150 PolarHBondContact N-OE2 3.39Å; R147-E150 HydrophobicContact CB-CG 4.17Å; R147-E150 WeakPolarHBondContact CD-OE1 3.48Å; R147-E150 PolarHBondContact O-N 3.07Å; Q148-E150 VanDerWaalsContact C-N 3.29Å; Q148-E150 PolarHBondContact O-N 3.33Å; E150-I259 HydrophobicContact CG-CD1 4.16Å; E150-I259 HydrophobicContact CG-CG2 4.21Å; E150-I259 WeakPolarHBondContact OE1-CD1 3.45Å
151	S	92.4	Very high	90.4	Very high	17 Å²	17	62.8 Å²	62.8	12%	0.119	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-79.9	155.1	162.3	73.3	0	0	0	0	111.4	G145 Q261 F262	G145-S151 PolarHBondContact N-O 2.87Å; S151-Q261 VanDerWaalsContact CB-OE1 3.25Å; S151-Q261 VanDerWaalsContact OG-CA 3.28Å; S151-Q261 WeakPolarHBondContact OG-CA 3.16Å; S151-Q261 PolarHBondContact OG-OE1 3.09Å; S151-F262 WeakPolarHBondContact CB-O 3.12Å; S151-F262 PolarHBondContact OG-N 3.3Å
152	Y	92.8	Very high	90.4	Very high	66 Å²	66	65.1 Å²	65.1	26%	0.259	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-97.5	150	172.8	68.5	-87.8	0	0	0	112.5	N154 F155 R229	Y152-N154 WeakPolarHBondContact CD2-O 3.49Å; Y152-F155 HydrophobicContact CE2-CB 4.45Å; Y152-R229 VanDerWaalsContact O-CD 3.25Å; Y152-R229 WeakPolarHBondContact O-CD 3.3Å; Y152-R229 PolarHBondContact O-NE 3.34Å; Y152-R229 PolarHBondContact OH-NH1 3.19Å
153	L	93.9	Very high	90.5	Very high	7 Å²	7	70.2 Å²	70.2	4%	0.037	34%	0.343	C	S	.	.	S	Bend	trans	-100.8	-49.3	167.1	-180	60.3	0	0	0	111.1	T42 L45 L141 R229 F262	T42-L153 HydrophobicContact CG2-CD1 4.17Å; T42-L153 WeakPolarHBondContact OG1-CD1 3.44Å; L45-L153 HydrophobicContact CD2-CD2 4.42Å; L45-L153 HydrophobicContact CD2-CG 4.33Å; L141-L153 HydrophobicContact CB-CD2 4.42Å; L141-L153 HydrophobicContact CD1-CD2 4.26Å; L141-L153 HydrophobicContact CD2-CD2 4.28Å; L153-R229 HydrophobicContact CD1-CB 4.31Å; L153-F262 HydrophobicContact CB-CD1 4.46Å; L153-F262 HydrophobicContact CB-CD2 3.97Å; L153-F262 HydrophobicContact CB-CE2 4.05Å; L153-F262 HydrophobicContact CB-CG 4.18Å; L153-F262 HydrophobicContact CB-CZ 4.34Å; L153-F262 HydrophobicContact CD1-CD1 3.77Å; L153-F262 HydrophobicContact CD1-CE1 4.01Å; L153-F262 HydrophobicContact CD1-CG 4.16Å; L153-F262 HydrophobicContact CD2-CE1 4.18Å; L153-F262 HydrophobicContact CD2-CZ 4.13Å; L153-F262 HydrophobicContact CG-CE1 4.48Å
154	N	94.7	Very high	90.7	Very high	1 Å²	1	75 Å²	75	1%	0.005	36%	0.359	C	S	.	.			trans	-81.1	123	-180	-171.3	-5.3	0	0	0	111.6	L45 C126 S142 Y152 A156 R157	L45-N154 HydrophobicContact CD2-CB 4.02Å; C126-N154 WeakPolarHBondContact CB-OD1 3.36Å; C126-N154 PolarHBondContact O-ND2 3.37Å; C126-N154 PolarHBondContact SG-OD1 2.89Å; S142-N154 PolarHBondContact OG-ND2 2.85Å; Y152-N154 WeakPolarHBondContact CD2-O 3.49Å; N154-A156 WeakPolarHBondContact OD1-CB 3.43Å; N154-A156 PolarHBondContact OD1-N 2.62Å; N154-R157 WeakPolarHBondContact O-CD 3.38Å; N154-R157 PolarHBondContact O-NH1 2.91Å; N154-R157 VanDerWaalsContact O-NH1 3.14Å
155	F	93.1	Very high	90.9	Very high	17 Å²	17	74.4 Å²	74.4	8%	0.075	36%	0.357	C	S	.	.	S	Bend	trans	-78.1	-16.8	177.4	62.7	-95.7	0	0	0	113.5	V123 C126 Y152 R157 L169 R173 I227	V123-F155 HydrophobicContact CG2-CE2 4.15Å; V123-F155 HydrophobicContact CG2-CZ 3.95Å; C126-F155 HydrophobicContact CB-CE1 4.43Å; C126-F155 HydrophobicContact CB-CZ 4.27Å; C126-F155 VanDerWaalsContact SG-CE1 3.58Å; Y152-F155 HydrophobicContact CE2-CB 4.45Å; F155-R157 PolarHBondContact O-N 3.32Å; F155-L169 HydrophobicContact CD2-CD1 4.49Å; F155-L169 HydrophobicContact CD2-CD2 4.48Å; F155-L169 HydrophobicContact CE2-CD1 4.1Å; F155-R173 PolarHBondContact O-NH2 2.75Å; F155-I227 HydrophobicContact CB-CB 4.49Å; F155-I227 HydrophobicContact CD1-CB 4.35Å; F155-I227 HydrophobicContact CG-CB 4.42Å
156	A	93.7	Very high	91.2	Very high	2 Å²	2	74 Å²	74	2%	0.017	35%	0.353	C	S	.	.			trans	-76.3	99.3	168.9	0	0	0	0	0	109.2	C126 V127 R130 N154 L169	C126-A156 HydrophobicContact CB-CB 4.11Å; V127-A156 HydrophobicContact CG2-CB 4.18Å; R130-A156 WeakPolarHBondContact CD-O 3.44Å; R130-A156 WeakPolarHBondContact CG-O 3.45Å; N154-A156 WeakPolarHBondContact OD1-CB 3.43Å; N154-A156 PolarHBondContact OD1-N 2.62Å; A156-L169 HydrophobicContact CB-CD1 3.67Å
157	R	92	Very high	91.5	Very high	46 Å²	46	75.7 Å²	75.7	17%	0.174	36%	0.361	C	S	.	.			trans	-94.2	-31.9	-176.6	-57.7	-47.8	-60.4	177.4	-5.2	113.1	R130 L144 G145 D146 N154 F155	R130-R157 VanDerWaalsContact CZ-O 3.24Å; R130-R157 PolarHBondContact NE-O 2.79Å; R130-R157 PolarHBondContact NH2-O 2.84Å; L144-R157 PolarHBondContact O-NH1 3.16Å; L144-R157 PolarHBondContact O-NH2 3.05Å; G145-R157 PolarHBondContact O-NH2 3.45Å; D146-R157 IonicContact OD1-CZ 3.53Å; D146-R157 IonicContact OD1-NH2 2.84Å; D146-R157 PolarHBondContact OD1-NH2 2.86Å; N154-R157 WeakPolarHBondContact O-CD 3.38Å; N154-R157 PolarHBondContact O-NH1 2.91Å; N154-R157 VanDerWaalsContact O-NH1 3.14Å; F155-R157 PolarHBondContact O-N 3.32Å
158	D	91.8	Very high	91.9	Very high	73 Å²	73	71.3 Å²	71.3	39%	0.39	35%	0.345	S	S	.	.	S	Bend	trans	-81.8	143.6	179.6	-53.1	-65.9	0	0	0	111.5	I160 Y168	D158-I160 VanDerWaalsContact C-N 3.29Å; D158-I160 HydrophobicContact CB-CD1 4Å; D158-I160 HydrophobicContact CB-CG1 4.05Å; D158-I160 PolarHBondContact O-N 3.25Å; D158-I160 VanDerWaalsContact O-N 3.15Å; D158-Y168 HydrophobicContact CB-CE1 4.46Å; D158-Y168 VanDerWaalsContact OD2-CE1 3.31Å; D158-Y168 WeakPolarHBondContact OD2-CE1 3.43Å
159	R	93.4	Very high	92.7	Very high	174 Å²	174	63.2 Å²	63.2	66%	0.657	31%	0.307	S	S	*	.			trans	-89.8	63.5	-179.1	-67.3	-177.2	-179.5	-122.6	1.1	110.9	R130	R130-R159 HydrophobicContact CG-CG 4.27Å
160	I	94.4	Very high	93.2	Very high	50 Å²	50	57.6 Å²	57.6	26%	0.256	28%	0.282	S	S	.	.			trans	-107	129.3	178.6	-53.4	172.3	0	0	0	108.1	V127 V131 D158 E164 Y168	V127-I160 WeakPolarHBondContact CG1-O 2.86Å; V131-I160 WeakPolarHBondContact CG1-O 3.2Å; D158-I160 VanDerWaalsContact C-N 3.29Å; D158-I160 HydrophobicContact CB-CD1 4Å; D158-I160 HydrophobicContact CB-CG1 4.05Å; D158-I160 PolarHBondContact O-N 3.25Å; D158-I160 VanDerWaalsContact O-N 3.15Å; I160-E164 HydrophobicContact CG2-CB 3.81Å; I160-Y168 HydrophobicContact CD1-CD1 4.02Å; I160-Y168 HydrophobicContact CD1-CD2 4.19Å; I160-Y168 HydrophobicContact CD1-CE1 4.41Å; I160-Y168 HydrophobicContact CD1-CG 3.9Å
161	K	94.7	Very high	93.6	Very high	157 Å²	157	60.2 Å²	60.2	68%	0.683	30%	0.3	S	S	*	.			trans	-73	152	-178.9	-67.4	-176.8	179.6	-180	0	111.3	V131 E164 G165	V131-K161 HydrophobicContact CB-CG 4.31Å; V131-K161 HydrophobicContact CG1-CG 4.15Å; V131-K161 HydrophobicContact CG2-CG 4.34Å; K161-E164 PolarHBondContact O-N 3.24Å; K161-G165 PolarHBondContact O-N 3.23Å
162	N	92.4	Very high	93.6	Very high	49 Å²	49	62.3 Å²	62.3	26%	0.262	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	146.5	169.1	-76.9	-41.4	0	0	0	110.6	E124 V127 N128 G166	E124-N162 PolarHBondContact O-ND2 2.91Å; V127-N162 WeakPolarHBondContact CB-ND2 3.33Å; V127-N162 HydrophobicContact CG1-CB 4.42Å; V127-N162 VanDerWaalsContact CG1-CG 3.47Å; V127-N162 WeakPolarHBondContact CG1-ND2 3.28Å; V127-N162 VanDerWaalsContact CG1-OD1 3.31Å; V127-N162 WeakPolarHBondContact CG1-OD1 3.38Å; N128-N162 PolarHBondContact OD1-ND2 2.79Å; N162-G166 PolarHBondContact OD1-N 3.18Å
163	P	93.7	Very high	93.7	Very high	108 Å²	108	61.9 Å²	61.9	70%	0.701	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.9	-13.2	5.2	33.2	-35.6	0	0	0	115	G165 G166 L167	P163-G165 PolarHBondContact O-N 2.86Å; P163-G166 PolarHBondContact O-N 3.38Å; P163-L167 PolarHBondContact O-N 2.9Å; P163-L167 VanDerWaalsContact O-N 3.09Å
164	E	95.6	Very high	93.7	Very high	142 Å²	142	64.6 Å²	64.6	66%	0.664	33%	0.327	S	S	*	.	H	α-helix	trans	-60.9	-40.8	-175.3	-65.7	179.1	176.9	0	0	112.8	I160 K161 G166 L167 Y168	I160-E164 HydrophobicContact CG2-CB 3.81Å; K161-E164 PolarHBondContact O-N 3.24Å; E164-G166 PolarHBondContact O-N 2.94Å; E164-L167 PolarHBondContact O-N 3.39Å; E164-Y168 VanDerWaalsContact O-CB 3.29Å; E164-Y168 WeakPolarHBondContact O-CB 3.48Å; E164-Y168 PolarHBondContact O-N 3Å
165	G	93.8	Very high	93.6	Very high	4 Å²	4	65.1 Å²	65.1	4%	0.041	33%	0.331	C	S	.	.	H	α-helix	trans	-63.5	-41.2	178.2	0	0	0	0	0	112.9	K161 P163 Y168 L169	K161-G165 PolarHBondContact O-N 3.23Å; P163-G165 PolarHBondContact O-N 2.86Å; G165-Y168 PolarHBondContact O-N 3.36Å; G165-L169 WeakPolarHBondContact O-CG 3.14Å; G165-L169 PolarHBondContact O-N 3.3Å
166	G	93.8	Very high	93.7	Very high	15 Å²	15	65.2 Å²	65.2	16%	0.155	34%	0.337	C	S	.	.	H	α-helix	trans	-63.5	-44.6	174.5	0	0	0	0	0	112.3	N162 P163 E164 L169 A170	N162-G166 PolarHBondContact OD1-N 3.18Å; P163-G166 PolarHBondContact O-N 3.38Å; E164-G166 PolarHBondContact O-N 2.94Å; G166-L169 PolarHBondContact O-N 2.97Å; G166-A170 PolarHBondContact O-N 2.82Å
167	L	94.1	Very high	93.8	Very high	116 Å²	116	68.8 Å²	68.8	61%	0.607	36%	0.355	S	S	*	.	H	α-helix	trans	-63.7	-43.7	176.2	-177.3	62.7	0	0	0	111.6	P163 E164 L169 A170 V171	P163-L167 PolarHBondContact O-N 2.9Å; P163-L167 VanDerWaalsContact O-N 3.09Å; E164-L167 PolarHBondContact O-N 3.39Å; L167-L169 VanDerWaalsContact C-N 3.31Å; L167-L169 PolarHBondContact O-N 3.09Å; L167-A170 WeakPolarHBondContact O-CB 3.37Å; L167-A170 PolarHBondContact O-N 2.88Å; L167-A170 VanDerWaalsContact O-N 3.09Å; L167-V171 HydrophobicContact CD1-CG1 4.42Å; L167-V171 WeakPolarHBondContact O-CG2 3.48Å; L167-V171 PolarHBondContact O-N 3.29Å; L167-V171 VanDerWaalsContact O-N 3.09Å
168	Y	95.2	Very high	94	Very high	93 Å²	93	67.2 Å²	67.2	37%	0.365	35%	0.35	S	S	.	.	H	α-helix	trans	-55	-46.9	175.5	176.6	-96.9	0	0	0	111.1	D158 I160 E164 G165 A170 V171 T172	D158-Y168 HydrophobicContact CB-CE1 4.46Å; D158-Y168 VanDerWaalsContact OD2-CE1 3.31Å; D158-Y168 WeakPolarHBondContact OD2-CE1 3.43Å; I160-Y168 HydrophobicContact CD1-CD1 4.02Å; I160-Y168 HydrophobicContact CD1-CD2 4.19Å; I160-Y168 HydrophobicContact CD1-CE1 4.41Å; I160-Y168 HydrophobicContact CD1-CG 3.9Å; E164-Y168 VanDerWaalsContact O-CB 3.29Å; E164-Y168 WeakPolarHBondContact O-CB 3.48Å; E164-Y168 PolarHBondContact O-N 3Å; G165-Y168 PolarHBondContact O-N 3.36Å; Y168-A170 VanDerWaalsContact C-N 3.34Å; Y168-A170 PolarHBondContact O-N 3.3Å; Y168-V171 PolarHBondContact O-N 3.31Å; Y168-T172 HydrophobicContact CD1-CG2 4.44Å; Y168-T172 HydrophobicContact CD2-CG2 3.9Å; Y168-T172 HydrophobicContact CE1-CG2 4.15Å; Y168-T172 HydrophobicContact CE2-CG2 3.59Å; Y168-T172 HydrophobicContact CG-CG2 4.32Å; Y168-T172 WeakPolarHBondContact O-CB 3.39Å; Y168-T172 WeakPolarHBondContact O-CG2 3.12Å; Y168-T172 PolarHBondContact O-N 2.71Å; Y168-T172 PolarHBondContact O-OG1 3.03Å
169	L	93.8	Very high	94.2	Very high	8 Å²	8	64.4 Å²	64.4	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-65.1	-37.6	176.9	-67.9	168.5	0	0	0	112.4	V123 V127 F155 A156 G165 G166 L167 V171 R173	V123-L169 HydrophobicContact CG1-CD1 4.12Å; V127-L169 HydrophobicContact CG2-CD1 3.56Å; F155-L169 HydrophobicContact CD2-CD1 4.49Å; F155-L169 HydrophobicContact CD2-CD2 4.48Å; F155-L169 HydrophobicContact CE2-CD1 4.1Å; A156-L169 HydrophobicContact CB-CD1 3.67Å; G165-L169 WeakPolarHBondContact O-CG 3.14Å; G165-L169 PolarHBondContact O-N 3.3Å; G166-L169 PolarHBondContact O-N 2.97Å; L167-L169 VanDerWaalsContact C-N 3.31Å; L167-L169 PolarHBondContact O-N 3.09Å; L169-V171 VanDerWaalsContact C-N 3.26Å; L169-V171 PolarHBondContact O-N 2.76Å; L169-R173 HydrophobicContact CB-CG 4.29Å; L169-R173 HydrophobicContact CD2-CG 3.84Å; L169-R173 WeakPolarHBondContact O-CB 3.26Å; L169-R173 VanDerWaalsContact O-CG 3.32Å; L169-R173 WeakPolarHBondContact O-CG 3.5Å; L169-R173 PolarHBondContact O-N 3.12Å; L169-R173 VanDerWaalsContact O-N 3.09Å
170	A	92.2	Very high	94.3	Very high	31 Å²	31	60.4 Å²	60.4	26%	0.256	33%	0.334	S	S	.	.	H	α-helix	trans	-62.9	-31.6	177.1	0	0	0	0	0	112.9	G166 L167 Y168 G176 I177	G166-A170 PolarHBondContact O-N 2.82Å; L167-A170 WeakPolarHBondContact O-CB 3.37Å; L167-A170 PolarHBondContact O-N 2.88Å; L167-A170 VanDerWaalsContact O-N 3.09Å; Y168-A170 VanDerWaalsContact C-N 3.34Å; Y168-A170 PolarHBondContact O-N 3.3Å; A170-G176 CarbonylContact O-C 3.58Å; A170-G176 WeakPolarHBondContact O-CA 3.45Å; A170-I177 PolarHBondContact O-N 2.78Å
171	V	93.4	Very high	94.5	Very high	88 Å²	88	61 Å²	61	53%	0.533	34%	0.34	S	S	.	.	H	α-helix	trans	-102.5	-9.7	-177	-56.3	0	0	0	0	114.9	L167 Y168 L169 I177	L167-V171 HydrophobicContact CD1-CG1 4.42Å; L167-V171 WeakPolarHBondContact O-CG2 3.48Å; L167-V171 PolarHBondContact O-N 3.29Å; L167-V171 VanDerWaalsContact O-N 3.09Å; Y168-V171 PolarHBondContact O-N 3.31Å; L169-V171 VanDerWaalsContact C-N 3.26Å; L169-V171 PolarHBondContact O-N 2.76Å; V171-I177 VanDerWaalsContact O-CD1 3.23Å; V171-I177 WeakPolarHBondContact O-CD1 3.37Å; V171-I177 VanDerWaalsContact O-CG1 3.31Å; V171-I177 WeakPolarHBondContact O-CG1 3.38Å
172	T	93.7	Very high	94.6	Very high	61 Å²	61	54.3 Å²	54.3	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-108.9	-30.9	179.3	56.4	0	0	0	0	113.5	Y168	Y168-T172 HydrophobicContact CD1-CG2 4.44Å; Y168-T172 HydrophobicContact CD2-CG2 3.9Å; Y168-T172 HydrophobicContact CE1-CG2 4.15Å; Y168-T172 HydrophobicContact CE2-CG2 3.59Å; Y168-T172 HydrophobicContact CG-CG2 4.32Å; Y168-T172 WeakPolarHBondContact O-CB 3.39Å; Y168-T172 WeakPolarHBondContact O-CG2 3.12Å; Y168-T172 PolarHBondContact O-N 2.71Å; Y168-T172 PolarHBondContact O-OG1 3.03Å
173	R	93.7	Very high	94.9	Very high	57 Å²	57	53.5 Å²	53.5	22%	0.215	31%	0.308	C	S	.	.	S	Bend	trans	-83.3	141.5	-178.5	-60	-72.2	171.4	-173.5	-5.7	110.2	F155 L169 A175 G176 I177 E225	F155-R173 PolarHBondContact O-NH2 2.75Å; L169-R173 HydrophobicContact CB-CG 4.29Å; L169-R173 HydrophobicContact CD2-CG 3.84Å; L169-R173 WeakPolarHBondContact O-CB 3.26Å; L169-R173 VanDerWaalsContact O-CG 3.32Å; L169-R173 WeakPolarHBondContact O-CG 3.5Å; L169-R173 PolarHBondContact O-N 3.12Å; L169-R173 VanDerWaalsContact O-N 3.09Å; R173-A175 VanDerWaalsContact C-N 3.28Å; R173-A175 PolarHBondContact O-N 2.81Å; R173-G176 WeakPolarHBondContact O-CA 3.35Å; R173-G176 PolarHBondContact O-N 3.07Å; R173-I177 WeakPolarHBondContact O-CG1 3.2Å; R173-I177 PolarHBondContact O-N 2.85Å; R173-E225 WeakPolarHBondContact CD-OE1 3.27Å; R173-E225 IonicContact CZ-OE1 3.65Å; R173-E225 IonicContact NE-OE1 3.35Å; R173-E225 IonicContact NH1-OE1 2.67Å; R173-E225 PolarHBondContact NH1-OE1 3.05Å; R173-E225 VanDerWaalsContact NH1-OE1 3.08Å
174	V	94.9	Very high	95	Very high	65 Å²	65	53.4 Å²	53.4	39%	0.394	30%	0.301	S	S	.	.	H	α-helix	trans	-60.3	-44.2	179.8	175.6	0	0	0	0	109.7	G176 T178 E225	V174-G176 VanDerWaalsContact C-N 3.28Å; V174-G176 PolarHBondContact O-N 3.46Å; V174-T178 HydrophobicContact CG1-CG2 4.13Å; V174-T178 VanDerWaalsContact O-CB 3.29Å; V174-T178 WeakPolarHBondContact O-CB 3.09Å; V174-T178 WeakPolarHBondContact O-CG2 3.43Å; V174-T178 PolarHBondContact O-N 3.06Å; V174-T178 PolarHBondContact O-OG1 2.86Å; V174-E225 HydrophobicContact CB-CB 4.38Å; V174-E225 PolarHBondContact N-OE2 3.14Å
175	A	93.3	Very high	95.2	Very high	12 Å²	12	47 Å²	47	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-62.3	-35	176.5	0	0	0	0	0	112.6	R173 T178 G179 H222 E225 I227	R173-A175 VanDerWaalsContact C-N 3.28Å; R173-A175 PolarHBondContact O-N 2.81Å; A175-T178 PolarHBondContact O-OG1 2.76Å; A175-G179 WeakPolarHBondContact O-CA 3.4Å; A175-G179 PolarHBondContact O-N 2.96Å; A175-H222 PolarHBondContact O-CE1 2.53Å; A175-H222 PolarHBondContact O-ND1 3.44Å; A175-H222 VanDerWaalsContact O-ND1 3.14Å; A175-E225 PolarHBondContact N-OE2 2.62Å; A175-I227 HydrophobicContact CB-CD1 3.71Å; A175-I227 HydrophobicContact CB-CG1 4.41Å; A175-I227 HydrophobicContact CB-CG2 4.49Å
176	G	94.2	Very high	95.3	Very high	19 Å²	19	47.7 Å²	47.7	20%	0.196	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-58.4	176.7	0	0	0	0	0	112.2	A170 R173 V174 T178 G179 V180	A170-G176 CarbonylContact O-C 3.58Å; A170-G176 WeakPolarHBondContact O-CA 3.45Å; R173-G176 WeakPolarHBondContact O-CA 3.35Å; R173-G176 PolarHBondContact O-N 3.07Å; V174-G176 VanDerWaalsContact C-N 3.28Å; V174-G176 PolarHBondContact O-N 3.46Å; G176-T178 VanDerWaalsContact C-N 3.35Å; G176-T178 PolarHBondContact O-N 2.86Å; G176-G179 PolarHBondContact O-N 2.94Å; G176-G179 VanDerWaalsContact O-N 3.12Å; G176-V180 WeakPolarHBondContact O-CG2 3.4Å; G176-V180 PolarHBondContact O-N 2.79Å
177	I	95.8	Very high	95.5	Very high	77 Å²	77	51.6 Å²	51.6	40%	0.395	29%	0.291	S	S	.	.	H	α-helix	trans	-58.9	-50.3	-176.2	-61.7	166	0	0	0	109.7	A170 V171 R173 G179 V180 V181	A170-I177 PolarHBondContact O-N 2.78Å; V171-I177 VanDerWaalsContact O-CD1 3.23Å; V171-I177 WeakPolarHBondContact O-CD1 3.37Å; V171-I177 VanDerWaalsContact O-CG1 3.31Å; V171-I177 WeakPolarHBondContact O-CG1 3.38Å; R173-I177 WeakPolarHBondContact O-CG1 3.2Å; R173-I177 PolarHBondContact O-N 2.85Å; I177-G179 VanDerWaalsContact C-N 3.31Å; I177-G179 PolarHBondContact O-N 3.17Å; I177-V180 PolarHBondContact O-N 2.79Å; I177-V181 HydrophobicContact CG2-CG2 4.49Å; I177-V181 WeakPolarHBondContact O-CG2 3.4Å; I177-V181 PolarHBondContact O-N 3.14Å
178	T	96.6	Very high	95.7	Very high	12 Å²	12	49.6 Å²	49.6	7%	0.074	28%	0.281	C	S	.	.	H	α-helix	trans	-64.1	-38.9	-179.9	58.1	0	0	0	0	111.1	V174 A175 G176 V181 I182 I221 H222	V174-T178 HydrophobicContact CG1-CG2 4.13Å; V174-T178 VanDerWaalsContact O-CB 3.29Å; V174-T178 WeakPolarHBondContact O-CB 3.09Å; V174-T178 WeakPolarHBondContact O-CG2 3.43Å; V174-T178 PolarHBondContact O-N 3.06Å; V174-T178 PolarHBondContact O-OG1 2.86Å; A175-T178 PolarHBondContact O-OG1 2.76Å; G176-T178 VanDerWaalsContact C-N 3.35Å; G176-T178 PolarHBondContact O-N 2.86Å; T178-V181 PolarHBondContact O-N 3.01Å; T178-I182 WeakPolarHBondContact O-CB 3.46Å; T178-I182 WeakPolarHBondContact O-CG1 3.49Å; T178-I182 WeakPolarHBondContact O-CG2 3.22Å; T178-I182 PolarHBondContact O-N 3.13Å; T178-I221 HydrophobicContact CG2-CD1 3.52Å; T178-I221 HydrophobicContact CG2-CG1 3.66Å; T178-H222 WeakPolarHBondContact OG1-CA 3.43Å; T178-H222 PolarHBondContact OG1-ND1 3.19Å
179	G	96	Very high	95.8	Very high	15 Å²	15	46 Å²	46	16%	0.155	27%	0.267	C	S	.	.	H	α-helix	trans	-59.4	-45.2	176	0	0	0	0	0	113.1	A175 G176 I177 I182 T183 H222	A175-G179 WeakPolarHBondContact O-CA 3.4Å; A175-G179 PolarHBondContact O-N 2.96Å; G176-G179 PolarHBondContact O-N 2.94Å; G176-G179 VanDerWaalsContact O-N 3.12Å; I177-G179 VanDerWaalsContact C-N 3.31Å; I177-G179 PolarHBondContact O-N 3.17Å; G179-I182 WeakPolarHBondContact O-CG1 3.46Å; G179-T183 WeakPolarHBondContact O-CB 3.22Å; G179-T183 PolarHBondContact O-N 2.99Å; G179-T183 PolarHBondContact O-OG1 3.1Å; G179-H222 PolarHBondContact N-ND1 3.48Å
180	V	96.3	Very high	95.9	Very high	89 Å²	89	47.3 Å²	47.3	54%	0.539	27%	0.274	S	S	.	.	H	α-helix	trans	-63.9	-50.2	175.7	174.1	0	0	0	0	110.7	G176 I177 T183 L184	G176-V180 WeakPolarHBondContact O-CG2 3.4Å; G176-V180 PolarHBondContact O-N 2.79Å; I177-V180 PolarHBondContact O-N 2.79Å; V180-T183 PolarHBondContact O-N 2.86Å; V180-L184 WeakPolarHBondContact O-CB 3.34Å; V180-L184 PolarHBondContact O-N 2.98Å
181	V	97.4	Very high	96.1	Very high	64 Å²	64	49 Å²	49	39%	0.388	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-48.2	-178.4	171.6	0	0	0	0	111.7	I177 T178 T183 L184 C185 I214	I177-V181 HydrophobicContact CG2-CG2 4.49Å; I177-V181 WeakPolarHBondContact O-CG2 3.4Å; I177-V181 PolarHBondContact O-N 3.14Å; T178-V181 PolarHBondContact O-N 3.01Å; V181-T183 VanDerWaalsContact C-N 3.34Å; V181-T183 PolarHBondContact O-N 3.42Å; V181-L184 PolarHBondContact O-N 3.28Å; V181-C185 PolarHBondContact O-N 3.26Å; V181-C185 PolarHBondContact O-SG 2.91Å; V181-I214 HydrophobicContact CG1-CG2 4.06Å
182	I	97.4	Very high	96.2	Very high	15 Å²	15	45.1 Å²	45.1	8%	0.077	26%	0.258	C	S	.	.	H	α-helix	trans	-68	-34.9	-179.1	68.5	-169.3	0	0	0	111.9	T178 G179 C185 L186 F215 H222	T178-I182 WeakPolarHBondContact O-CB 3.46Å; T178-I182 WeakPolarHBondContact O-CG1 3.49Å; T178-I182 WeakPolarHBondContact O-CG2 3.22Å; T178-I182 PolarHBondContact O-N 3.13Å; G179-I182 WeakPolarHBondContact O-CG1 3.46Å; I182-C185 PolarHBondContact O-N 3.45Å; I182-L186 WeakPolarHBondContact O-CB 3.29Å; I182-L186 PolarHBondContact O-N 3.05Å; I182-F215 HydrophobicContact CB-CD2 4.08Å; I182-F215 HydrophobicContact CB-CE2 4.48Å; I182-H222 HydrophobicContact CD1-CB 4.42Å
183	T	97.4	Very high	96.2	Very high	33 Å²	33	43.7 Å²	43.7	20%	0.202	25%	0.25	C	S	.	.	H	α-helix	trans	-69.6	-41.9	177.4	-64.3	0	0	0	0	110.9	G179 V180 V181 L186 I187	G179-T183 WeakPolarHBondContact O-CB 3.22Å; G179-T183 PolarHBondContact O-N 2.99Å; G179-T183 PolarHBondContact O-OG1 3.1Å; V180-T183 PolarHBondContact O-N 2.86Å; V181-T183 VanDerWaalsContact C-N 3.34Å; V181-T183 PolarHBondContact O-N 3.42Å; T183-L186 PolarHBondContact O-N 2.86Å; T183-I187 HydrophobicContact CG2-CD1 3.99Å; T183-I187 VanDerWaalsContact O-CG1 3.31Å; T183-I187 WeakPolarHBondContact O-CG1 3.19Å; T183-I187 PolarHBondContact O-N 2.91Å
184	L	97.4	Very high	96.1	Very high	106 Å²	106	43.4 Å²	43.4	56%	0.555	26%	0.255	S	S	*	.	H	α-helix	trans	-61	-46	173.8	-174.4	116.7	0	0	0	111.4	V180 V181 L186 I187 L188	V180-L184 WeakPolarHBondContact O-CB 3.34Å; V180-L184 PolarHBondContact O-N 2.98Å; V181-L184 PolarHBondContact O-N 3.28Å; L184-L186 VanDerWaalsContact C-N 3.31Å; L184-L186 PolarHBondContact O-N 3.18Å; L184-I187 PolarHBondContact O-N 3.19Å; L184-L188 HydrophobicContact CD2-CD1 4.04Å; L184-L188 HydrophobicContact CG-CD1 4.44Å; L184-L188 WeakPolarHBondContact O-CG 3.15Å; L184-L188 PolarHBondContact O-N 3.49Å
185	C	98.1	Very high	95.8	Very high	7 Å²	7	45.6 Å²	45.6	5%	0.047	26%	0.259	C	S	.	.	H	α-helix	trans	-57.4	-45.9	174.4	-68.2	0	0	0	0	111.3	V181 I182 I187 L188 I189 L211 F215	V181-C185 PolarHBondContact O-N 3.26Å; V181-C185 PolarHBondContact O-SG 2.91Å; I182-C185 PolarHBondContact O-N 3.45Å; C185-I187 PolarHBondContact O-N 3.33Å; C185-L188 PolarHBondContact O-N 2.96Å; C185-I189 WeakPolarHBondContact O-CB 3.44Å; C185-I189 WeakPolarHBondContact O-CD1 2.79Å; C185-I189 WeakPolarHBondContact O-CG1 3.34Å; C185-I189 PolarHBondContact O-N 3.18Å; C185-L211 HydrophobicContact CB-CB 4.31Å; C185-F215 HydrophobicContact CB-CB 4.48Å
186	L	97.8	Very high	95.6	Very high	18 Å²	18	50.3 Å²	50.3	9%	0.094	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-42.8	179.7	-176.8	65.5	0	0	0	112.1	I108 T112 I182 T183 L184 I189 I190 F215	I108-L186 HydrophobicContact CG2-CD1 4.12Å; I108-L186 HydrophobicContact CG2-CD2 4.08Å; T112-L186 HydrophobicContact CG2-CD2 3.84Å; T112-L186 WeakPolarHBondContact OG1-CD2 2.99Å; I182-L186 WeakPolarHBondContact O-CB 3.29Å; I182-L186 PolarHBondContact O-N 3.05Å; T183-L186 PolarHBondContact O-N 2.86Å; L184-L186 VanDerWaalsContact C-N 3.31Å; L184-L186 PolarHBondContact O-N 3.18Å; L186-I189 PolarHBondContact O-N 3.12Å; L186-I190 HydrophobicContact CD1-CD1 3.78Å; L186-I190 HydrophobicContact CD1-CG1 4.11Å; L186-I190 HydrophobicContact CD2-CD1 4.32Å; L186-I190 HydrophobicContact CG-CD1 3.72Å; L186-I190 HydrophobicContact CG-CG1 4.37Å; L186-I190 WeakPolarHBondContact O-CB 2.94Å; L186-I190 VanDerWaalsContact O-CG1 3.31Å; L186-I190 WeakPolarHBondContact O-CG1 3.23Å; L186-I190 PolarHBondContact O-N 3.37Å; L186-F215 HydrophobicContact CB-CD2 4.32Å; L186-F215 HydrophobicContact CB-CE2 4.25Å; L186-F215 HydrophobicContact CD1-CE2 4.3Å
187	I	97.7	Very high	95.4	Very high	98 Å²	98	52.2 Å²	52.2	50%	0.503	29%	0.292	S	S	.	.	H	α-helix	trans	-59.9	-48.4	176.7	-70.6	166.3	0	0	0	110.3	T183 L184 C185 I189 I190 T191	T183-I187 HydrophobicContact CG2-CD1 3.99Å; T183-I187 VanDerWaalsContact O-CG1 3.31Å; T183-I187 WeakPolarHBondContact O-CG1 3.19Å; T183-I187 PolarHBondContact O-N 2.91Å; L184-I187 PolarHBondContact O-N 3.19Å; C185-I187 PolarHBondContact O-N 3.33Å; I187-I189 PolarHBondContact O-N 3.38Å; I187-I190 PolarHBondContact O-N 3.23Å; I187-T191 HydrophobicContact CG2-CG2 4.26Å; I187-T191 WeakPolarHBondContact O-CB 3.16Å; I187-T191 VanDerWaalsContact O-CG2 3.27Å; I187-T191 WeakPolarHBondContact O-CG2 3.47Å; I187-T191 PolarHBondContact O-N 2.6Å; I187-T191 PolarHBondContact O-OG1 3.46Å
188	L	97.3	Very high	95	Very high	74 Å²	74	52.3 Å²	52.3	39%	0.387	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-44	178.2	-68.1	175.1	0	0	0	111.9	L184 C185 T191 S192 L211	L184-L188 HydrophobicContact CD2-CD1 4.04Å; L184-L188 HydrophobicContact CG-CD1 4.44Å; L184-L188 WeakPolarHBondContact O-CG 3.15Å; L184-L188 PolarHBondContact O-N 3.49Å; C185-L188 PolarHBondContact O-N 2.96Å; L188-T191 PolarHBondContact O-OG1 3.35Å; L188-T191 VanDerWaalsContact O-OG1 3.11Å; L188-S192 WeakPolarHBondContact O-CB 3.39Å; L188-S192 PolarHBondContact O-N 2.76Å; L188-S192 VanDerWaalsContact O-N 3.14Å; L188-S192 PolarHBondContact O-OG 3.28Å; L188-S192 VanDerWaalsContact O-OG 3.05Å; L188-L211 HydrophobicContact CB-CD1 3.87Å; L188-L211 HydrophobicContact CD1-CD1 3.82Å
189	I	97.7	Very high	94.2	Very high	17 Å²	17	59.5 Å²	59.5	9%	0.087	31%	0.313	C	S	.	.	H	α-helix	trans	-60.9	-48.4	176.9	-68.9	163.3	0	0	0	111	C185 L186 I187 S192 S193 T208 L211 F212	C185-I189 WeakPolarHBondContact O-CB 3.44Å; C185-I189 WeakPolarHBondContact O-CD1 2.79Å; C185-I189 WeakPolarHBondContact O-CG1 3.34Å; C185-I189 PolarHBondContact O-N 3.18Å; L186-I189 PolarHBondContact O-N 3.12Å; I187-I189 PolarHBondContact O-N 3.38Å; I189-S192 PolarHBondContact O-OG 3.06Å; I189-S193 WeakPolarHBondContact O-CB 3.48Å; I189-S193 PolarHBondContact O-N 3.32Å; I189-S193 VanDerWaalsContact O-N 3.15Å; I189-S193 PolarHBondContact O-OG 3.05Å; I189-T208 WeakPolarHBondContact CG1-O 3.33Å; I189-L211 HydrophobicContact CD1-CB 3.94Å; I189-L211 HydrophobicContact CG1-CB 3.93Å; I189-F212 HydrophobicContact CD1-CB 4.42Å
190	I	95.9	Very high	93.5	Very high	36 Å²	36	62.7 Å²	62.7	19%	0.185	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-47.1	-175.8	-70.4	171.9	0	0	0	110.8	W106 A109 L186 I187 S193 T194	W106-I190 HydrophobicContact CH2-CG2 4.27Å; W106-I190 HydrophobicContact CZ3-CG2 4.28Å; A109-I190 HydrophobicContact CB-CD1 3.49Å; A109-I190 VanDerWaalsContact CB-CD1 3.49Å; L186-I190 HydrophobicContact CD1-CD1 3.78Å; L186-I190 HydrophobicContact CD1-CG1 4.11Å; L186-I190 HydrophobicContact CD2-CD1 4.32Å; L186-I190 HydrophobicContact CG-CD1 3.72Å; L186-I190 HydrophobicContact CG-CG1 4.37Å; L186-I190 WeakPolarHBondContact O-CB 2.94Å; L186-I190 VanDerWaalsContact O-CG1 3.31Å; L186-I190 WeakPolarHBondContact O-CG1 3.23Å; L186-I190 PolarHBondContact O-N 3.37Å; I187-I190 PolarHBondContact O-N 3.23Å; I190-S193 PolarHBondContact O-N 3.26Å; I190-T194 PolarHBondContact O-N 2.99Å
191	T	95.3	Very high	93	Very high	66 Å²	66	66 Å²	66	41%	0.405	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-48.4	-177.6	49.4	0	0	0	0	111.4	I187 L188 S193 T194 I197	I187-T191 HydrophobicContact CG2-CG2 4.26Å; I187-T191 WeakPolarHBondContact O-CB 3.16Å; I187-T191 VanDerWaalsContact O-CG2 3.27Å; I187-T191 WeakPolarHBondContact O-CG2 3.47Å; I187-T191 PolarHBondContact O-N 2.6Å; I187-T191 PolarHBondContact O-OG1 3.46Å; L188-T191 PolarHBondContact O-OG1 3.35Å; L188-T191 VanDerWaalsContact O-OG1 3.11Å; T191-S193 PolarHBondContact O-N 3.49Å; T191-T194 WeakPolarHBondContact O-CB 3.18Å; T191-T194 VanDerWaalsContact O-CG2 3.25Å; T191-T194 WeakPolarHBondContact O-CG2 3.31Å; T191-T194 PolarHBondContact O-N 3.44Å; T191-T194 PolarHBondContact O-OG1 3.15Å; T191-I197 WeakPolarHBondContact O-CD1 3.46Å
192	S	95.6	Very high	92.3	Very high	6 Å²	6	67.8 Å²	67.8	4%	0.042	34%	0.34	C	S	.	.	H	α-helix	trans	-66.9	-25.8	177.9	72.6	0	0	0	0	113.4	L188 I189 T194 I197 T208	L188-S192 WeakPolarHBondContact O-CB 3.39Å; L188-S192 PolarHBondContact O-N 2.76Å; L188-S192 VanDerWaalsContact O-N 3.14Å; L188-S192 PolarHBondContact O-OG 3.28Å; L188-S192 VanDerWaalsContact O-OG 3.05Å; I189-S192 PolarHBondContact O-OG 3.06Å; S192-T194 VanDerWaalsContact C-N 3.27Å; S192-T194 PolarHBondContact O-N 3.42Å; S192-I197 WeakPolarHBondContact O-CG2 3.46Å; S192-T208 WeakPolarHBondContact CB-OG1 3.33Å; S192-T208 PolarHBondContact OG-OG1 2.81Å
193	S	94.6	Very high	91.7	Very high	31 Å²	31	70.2 Å²	70.2	22%	0.217	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.7	179	-59.6	0	0	0	0	114.2	I189 I190 T191 H209	I189-S193 WeakPolarHBondContact O-CB 3.48Å; I189-S193 PolarHBondContact O-N 3.32Å; I189-S193 VanDerWaalsContact O-N 3.15Å; I189-S193 PolarHBondContact O-OG 3.05Å; I190-S193 PolarHBondContact O-N 3.26Å; T191-S193 PolarHBondContact O-N 3.49Å; S193-H209 PolarHBondContact OG-CE1 2.97Å; S193-H209 PolarHBondContact OG-ND1 3.09Å
194	T	92.5	Very high	91.3	Very high	52 Å²	52	72.1 Å²	72.1	32%	0.319	36%	0.363	S	S	.	.	S	Bend	trans	-60.5	149.3	175.3	59.2	0	0	0	0	111.5	I190 T191 S192 T196 I197 R198	I190-T194 PolarHBondContact O-N 2.99Å; T191-T194 WeakPolarHBondContact O-CB 3.18Å; T191-T194 VanDerWaalsContact O-CG2 3.25Å; T191-T194 WeakPolarHBondContact O-CG2 3.31Å; T191-T194 PolarHBondContact O-N 3.44Å; T191-T194 PolarHBondContact O-OG1 3.15Å; S192-T194 VanDerWaalsContact C-N 3.27Å; S192-T194 PolarHBondContact O-N 3.42Å; T194-T196 PolarHBondContact O-N 3.04Å; T194-I197 PolarHBondContact O-N 2.89Å; T194-R198 VanDerWaalsContact O-CB 3.32Å; T194-R198 WeakPolarHBondContact O-CB 3.42Å; T194-R198 PolarHBondContact O-N 2.99Å
195	K	88	Confident	91	Very high	111 Å²	111	68.7 Å²	68.7	48%	0.483	34%	0.343	S	S	.	.	H	α-helix	trans	-58.6	-34.5	-175.3	-175.8	178.8	177.6	-177.2	0	112.6	R199	K195-R199 VanDerWaalsContact O-CB 3.32Å; K195-R199 WeakPolarHBondContact O-CB 3.37Å; K195-R199 VanDerWaalsContact O-CG 3.29Å; K195-R199 WeakPolarHBondContact O-CG 3.26Å; K195-R199 PolarHBondContact O-N 3.02Å
196	T	88.9	Confident	90.6	Very high	111 Å²	111	72.1 Å²	72.1	68%	0.681	36%	0.355	S	S	*	.	H	α-helix	trans	-67.3	-55.7	179.9	-48.9	0	0	0	0	110.7	T194 R199 S200	T194-T196 PolarHBondContact O-N 3.04Å; T196-R199 PolarHBondContact O-N 3.49Å; T196-S200 PolarHBondContact O-N 3.39Å; T196-S200 PolarHBondContact O-OG 3.08Å
197	I	89	Confident	90.2	Very high	59 Å²	59	76.8 Å²	76.8	30%	0.303	37%	0.372	S	S	.	.	H	α-helix	trans	-64.4	-48.5	-178.7	-68.2	168.7	0	0	0	110.6	T191 S192 T194 R199 S200 Y201 V204	T191-I197 WeakPolarHBondContact O-CD1 3.46Å; S192-I197 WeakPolarHBondContact O-CG2 3.46Å; T194-I197 PolarHBondContact O-N 2.89Å; I197-R199 PolarHBondContact O-N 2.96Å; I197-R199 VanDerWaalsContact O-N 3.16Å; I197-S200 PolarHBondContact O-N 3.41Å; I197-Y201 CarbonylContact O-C 2.99Å; I197-Y201 WeakPolarHBondContact O-CA 3.26Å; I197-Y201 PolarHBondContact O-N 3.25Å; I197-V204 HydrophobicContact CG2-CG1 4.39Å
198	R	88.3	Confident	90.1	Very high	78 Å²	78	73.7 Å²	73.7	29%	0.294	36%	0.358	S	S	.	.	H	α-helix	trans	-60.9	-29.9	-177.8	-171.1	-175.5	70.5	-173.9	2.9	113.9	T194 F202 F205	T194-R198 VanDerWaalsContact O-CB 3.32Å; T194-R198 WeakPolarHBondContact O-CB 3.42Å; T194-R198 PolarHBondContact O-N 2.99Å; R198-F202 HydrophobicContact CG-CD2 4.23Å; R198-F205 HydrophobicContact CB-CB 4.23Å; R198-F205 HydrophobicContact CB-CG 4.26Å; R198-F205 HydrophobicContact CG-CB 4.04Å; R198-F205 HydrophobicContact CG-CD1 3.72Å; R198-F205 HydrophobicContact CG-CD2 4.13Å; R198-F205 HydrophobicContact CG-CE1 4.19Å; R198-F205 HydrophobicContact CG-CG 3.67Å
199	R	79.4	Confident	90	Very high	163 Å²	163	72.5 Å²	72.5	62%	0.615	35%	0.351	S	S	*	.	H	α-helix	trans	-79.9	-32.8	178.8	-81.6	-175.8	166	-164.5	-7.5	113.1	K195 T196 I197	K195-R199 VanDerWaalsContact O-CB 3.32Å; K195-R199 WeakPolarHBondContact O-CB 3.37Å; K195-R199 VanDerWaalsContact O-CG 3.29Å; K195-R199 WeakPolarHBondContact O-CG 3.26Å; K195-R199 PolarHBondContact O-N 3.02Å; T196-R199 PolarHBondContact O-N 3.49Å; I197-R199 PolarHBondContact O-N 2.96Å; I197-R199 VanDerWaalsContact O-N 3.16Å
200	S	82.7	Confident	89.9	Confident	82 Å²	82	74.8 Å²	74.8	57%	0.573	36%	0.36	S	S	*	.	H	α-helix	trans	-92.7	-33.9	-177.8	-62.1	0	0	0	0	112.8	T196 I197	T196-S200 PolarHBondContact O-N 3.39Å; T196-S200 PolarHBondContact O-OG 3.08Å; I197-S200 PolarHBondContact O-N 3.41Å
201	Y	84.9	Confident	89.9	Confident	159 Å²	159	75 Å²	75	62%	0.624	36%	0.362	S	S	*	.			trans	-136.5	73.2	-173.1	-57.4	-74.8	0	0	0	110.1	I197 E203 V204 F205	I197-Y201 CarbonylContact O-C 2.99Å; I197-Y201 WeakPolarHBondContact O-CA 3.26Å; I197-Y201 PolarHBondContact O-N 3.25Å; Y201-E203 VanDerWaalsContact C-N 3.32Å; Y201-E203 PolarHBondContact O-N 3.12Å; Y201-V204 PolarHBondContact O-N 2.76Å; Y201-F205 PolarHBondContact O-N 3.23Å
202	F	81.6	Confident	89.9	Confident	102 Å²	102	73.8 Å²	73.8	45%	0.447	35%	0.351	S	S	.	.	H	α-helix	trans	-62.1	-37.9	-176.3	-174.4	-96.6	0	0	0	112.8	R198 V204 F205 W206	R198-F202 HydrophobicContact CG-CD2 4.23Å; F202-V204 PolarHBondContact O-N 3.17Å; F202-F205 AromaticContact CD2-CD1 3.94Å; F202-F205 HydrophobicContact CD2-CD1 3.94Å; F202-F205 HydrophobicContact CD2-CE1 4.44Å; F202-F205 AromaticContact CE2-CD1 3.75Å; F202-F205 HydrophobicContact CE2-CD1 3.75Å; F202-F205 AromaticContact CE2-CE1 3.8Å; F202-F205 HydrophobicContact CE2-CE1 3.8Å; F202-F205 HydrophobicContact CZ-CD1 4.2Å; F202-F205 HydrophobicContact CZ-CE1 4.12Å; F202-F205 WeakPolarHBondContact O-CB 3.27Å; F202-F205 PolarHBondContact O-N 3Å; F202-W206 HydrophobicContact CE1-CB 4.36Å; F202-W206 PolarHBondContact O-N 3.44Å
203	E	84.8	Confident	89.9	Confident	65 Å²	65	76.9 Å²	76.9	30%	0.304	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-44.1	178.1	-66.5	-52.2	117.8	0	0	112.3	Y201 F205 W206 Y207	Y201-E203 VanDerWaalsContact C-N 3.32Å; Y201-E203 PolarHBondContact O-N 3.12Å; E203-F205 VanDerWaalsContact C-N 3.3Å; E203-F205 PolarHBondContact O-N 2.99Å; E203-W206 PolarHBondContact O-N 3.23Å; E203-Y207 HydrophobicContact CB-CD2 4.27Å; E203-Y207 HydrophobicContact CB-CE2 4.14Å; E203-Y207 WeakPolarHBondContact O-CD2 3.49Å; E203-Y207 PolarHBondContact O-N 2.82Å; E203-Y207 WeakPolarHBondContact OE2-CE2 3.23Å
204	V	90.2	Very high	90	Very high	74 Å²	74	79.2 Å²	79.2	45%	0.448	38%	0.379	S	S	.	.	H	α-helix	trans	-58.4	-46.1	176.6	175.7	0	0	0	0	110.3	I197 Y201 F202 T208	I197-V204 HydrophobicContact CG2-CG1 4.39Å; Y201-V204 PolarHBondContact O-N 2.76Å; F202-V204 PolarHBondContact O-N 3.17Å; V204-T208 HydrophobicContact CG1-CG2 4.45Å; V204-T208 WeakPolarHBondContact O-CB 3.47Å; V204-T208 VanDerWaalsContact O-CG2 3.28Å; V204-T208 WeakPolarHBondContact O-CG2 3.29Å; V204-T208 PolarHBondContact O-N 3.02Å; V204-T208 PolarHBondContact O-OG1 3.12Å
205	F	91.6	Very high	90.2	Very high	33 Å²	33	77.7 Å²	77.7	15%	0.145	37%	0.368	C	S	.	.	H	α-helix	trans	-55.8	-53	171.8	156.1	-104.5	0	0	0	110.8	R198 Y201 F202 E203 Y207 T208 H209	R198-F205 HydrophobicContact CB-CB 4.23Å; R198-F205 HydrophobicContact CB-CG 4.26Å; R198-F205 HydrophobicContact CG-CB 4.04Å; R198-F205 HydrophobicContact CG-CD1 3.72Å; R198-F205 HydrophobicContact CG-CD2 4.13Å; R198-F205 HydrophobicContact CG-CE1 4.19Å; R198-F205 HydrophobicContact CG-CG 3.67Å; Y201-F205 PolarHBondContact O-N 3.23Å; F202-F205 AromaticContact CD2-CD1 3.94Å; F202-F205 HydrophobicContact CD2-CD1 3.94Å; F202-F205 HydrophobicContact CD2-CE1 4.44Å; F202-F205 AromaticContact CE2-CD1 3.75Å; F202-F205 HydrophobicContact CE2-CD1 3.75Å; F202-F205 AromaticContact CE2-CE1 3.8Å; F202-F205 HydrophobicContact CE2-CE1 3.8Å; F202-F205 HydrophobicContact CZ-CD1 4.2Å; F202-F205 HydrophobicContact CZ-CE1 4.12Å; F202-F205 WeakPolarHBondContact O-CB 3.27Å; F202-F205 PolarHBondContact O-N 3Å; E203-F205 VanDerWaalsContact C-N 3.3Å; E203-F205 PolarHBondContact O-N 2.99Å; F205-Y207 PolarHBondContact O-N 2.78Å; F205-T208 PolarHBondContact O-OG1 3.42Å; F205-H209 HydrophobicContact CD2-CB 4.49Å; F205-H209 HydrophobicContact CE2-CB 4.25Å; F205-H209 AromaticContact CE2-CG 3.94Å; F205-H209 AromaticContact CE2-ND1 3.59Å; F205-H209 WeakPolarHBondContact O-CB 3.45Å; F205-H209 PolarHBondContact O-N 3.45Å
206	W	87.9	Confident	90.6	Very high	79 Å²	79	72.9 Å²	72.9	30%	0.299	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-50.5	-172.7	-168.8	96.7	0	0	0	112.7	F202 E203 H209 H210	F202-W206 HydrophobicContact CE1-CB 4.36Å; F202-W206 PolarHBondContact O-N 3.44Å; E203-W206 PolarHBondContact O-N 3.23Å; W206-H209 PolarHBondContact O-N 3.34Å; W206-H210 AromaticContact CD2-CE1 3.59Å; W206-H210 AromaticContact CD2-ND1 3.93Å; W206-H210 AromaticContact CE2-CE1 3.36Å; W206-H210 AromaticContact CE3-CE1 3.77Å; W206-H210 AromaticContact CE3-ND1 3.8Å; W206-H210 AromaticContact CH2-CE1 3.52Å; W206-H210 AromaticContact CH2-NE2 3.97Å; W206-H210 AromaticContact CZ2-CE1 3.34Å; W206-H210 WeakPolarHBondContact CZ2-CE1 3.29Å; W206-H210 AromaticContact CZ2-NE2 3.86Å; W206-H210 AromaticContact CZ3-CE1 3.73Å; W206-H210 AromaticContact CZ3-ND1 3.88Å; W206-H210 AromaticContact NE1-CE1 3.99Å; W206-H210 PolarHBondContact O-ND1 3.44Å
207	Y	90.8	Very high	90.9	Very high	116 Å²	116	72.4 Å²	72.4	46%	0.455	34%	0.339	S	S	.	.	H	α-helix	trans	-66.6	-45.8	-178.4	-72.4	-68.9	0	0	0	112.2	E203 F205 H209 H210	E203-Y207 HydrophobicContact CB-CD2 4.27Å; E203-Y207 HydrophobicContact CB-CE2 4.14Å; E203-Y207 WeakPolarHBondContact O-CD2 3.49Å; E203-Y207 PolarHBondContact O-N 2.82Å; E203-Y207 WeakPolarHBondContact OE2-CE2 3.23Å; F205-Y207 PolarHBondContact O-N 2.78Å; Y207-H209 VanDerWaalsContact C-N 3.31Å; Y207-H209 PolarHBondContact O-N 2.65Å; Y207-H210 PolarHBondContact O-N 3.24Å
208	T	95.3	Very high	91.2	Very high	34 Å²	34	70 Å²	70	21%	0.209	33%	0.328	C	S	.	.	H	α-helix	trans	-68.6	-30.6	179.7	57.3	0	0	0	0	112.3	I189 S192 V204 F205 H210 L211	I189-T208 WeakPolarHBondContact CG1-O 3.33Å; S192-T208 WeakPolarHBondContact CB-OG1 3.33Å; S192-T208 PolarHBondContact OG-OG1 2.81Å; V204-T208 HydrophobicContact CG1-CG2 4.45Å; V204-T208 WeakPolarHBondContact O-CB 3.47Å; V204-T208 VanDerWaalsContact O-CG2 3.28Å; V204-T208 WeakPolarHBondContact O-CG2 3.29Å; V204-T208 PolarHBondContact O-N 3.02Å; V204-T208 PolarHBondContact O-OG1 3.12Å; F205-T208 PolarHBondContact O-OG1 3.42Å; T208-H210 PolarHBondContact O-N 3.24Å; T208-L211 VanDerWaalsContact O-CB 3.22Å; T208-L211 WeakPolarHBondContact O-CB 3.41Å; T208-L211 WeakPolarHBondContact O-CG 3.46Å; T208-L211 PolarHBondContact O-N 2.94Å; T208-L211 VanDerWaalsContact O-N 3.1Å
209	H	95.7	Very high	91.5	Very high	49 Å²	49	67 Å²	67	23%	0.227	32%	0.318	C	S	.	.	H	α-helix	trans	-63.7	-29.4	177.5	-149.4	79.8	0	0	0	111.8	S193 F205 W206 Y207 L211 F212	S193-H209 PolarHBondContact OG-CE1 2.97Å; S193-H209 PolarHBondContact OG-ND1 3.09Å; F205-H209 HydrophobicContact CD2-CB 4.49Å; F205-H209 HydrophobicContact CE2-CB 4.25Å; F205-H209 AromaticContact CE2-CG 3.94Å; F205-H209 AromaticContact CE2-ND1 3.59Å; F205-H209 WeakPolarHBondContact O-CB 3.45Å; F205-H209 PolarHBondContact O-N 3.45Å; W206-H209 PolarHBondContact O-N 3.34Å; Y207-H209 VanDerWaalsContact C-N 3.31Å; Y207-H209 PolarHBondContact O-N 2.65Å; H209-L211 PolarHBondContact O-N 2.75Å; H209-F212 VanDerWaalsContact O-CD1 3.27Å; H209-F212 WeakPolarHBondContact O-CD1 3.46Å; H209-F212 PolarHBondContact O-N 3.23Å; H209-F212 VanDerWaalsContact O-N 3.13Å
210	H	94.5	Very high	92.2	Very high	64 Å²	64	61 Å²	61	30%	0.296	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-12.6	175.9	-75.1	81.5	0	0	0	114.3	W206 Y207 T208 F212 V213	W206-H210 AromaticContact CD2-CE1 3.59Å; W206-H210 AromaticContact CD2-ND1 3.93Å; W206-H210 AromaticContact CE2-CE1 3.36Å; W206-H210 AromaticContact CE3-CE1 3.77Å; W206-H210 AromaticContact CE3-ND1 3.8Å; W206-H210 AromaticContact CH2-CE1 3.52Å; W206-H210 AromaticContact CH2-NE2 3.97Å; W206-H210 AromaticContact CZ2-CE1 3.34Å; W206-H210 WeakPolarHBondContact CZ2-CE1 3.29Å; W206-H210 AromaticContact CZ2-NE2 3.86Å; W206-H210 AromaticContact CZ3-CE1 3.73Å; W206-H210 AromaticContact CZ3-ND1 3.88Å; W206-H210 AromaticContact NE1-CE1 3.99Å; W206-H210 PolarHBondContact O-ND1 3.44Å; Y207-H210 PolarHBondContact O-N 3.24Å; T208-H210 PolarHBondContact O-N 3.24Å; H210-F212 PolarHBondContact O-N 3.36Å; H210-V213 PolarHBondContact O-N 3.45Å
211	L	96.9	Very high	92.8	Very high	42 Å²	42	60.8 Å²	60.8	22%	0.22	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-11.7	168.5	-64	174.2	0	0	0	112.5	C185 L188 I189 T208 H209 V213 I214 F215	C185-L211 HydrophobicContact CB-CB 4.31Å; L188-L211 HydrophobicContact CB-CD1 3.87Å; L188-L211 HydrophobicContact CD1-CD1 3.82Å; I189-L211 HydrophobicContact CD1-CB 3.94Å; I189-L211 HydrophobicContact CG1-CB 3.93Å; T208-L211 VanDerWaalsContact O-CB 3.22Å; T208-L211 WeakPolarHBondContact O-CB 3.41Å; T208-L211 WeakPolarHBondContact O-CG 3.46Å; T208-L211 PolarHBondContact O-N 2.94Å; T208-L211 VanDerWaalsContact O-N 3.1Å; H209-L211 PolarHBondContact O-N 2.75Å; L211-V213 PolarHBondContact O-N 3.42Å; L211-V213 VanDerWaalsContact O-N 3.14Å; L211-I214 HydrophobicContact CD2-CD1 3.9Å; L211-I214 PolarHBondContact O-N 3.34Å; L211-I214 VanDerWaalsContact O-N 3.08Å; L211-F215 PolarHBondContact O-N 3.41Å
212	F	95.6	Very high	93.3	Very high	40 Å²	40	54.9 Å²	54.9	18%	0.175	27%	0.273	C	S	.	.	H	α-helix	trans	-52.9	-31.8	169.7	84.8	-96.9	0	0	0	112	I189 H209 H210 F215 F216 Y280	I189-F212 HydrophobicContact CD1-CB 4.42Å; H209-F212 VanDerWaalsContact O-CD1 3.27Å; H209-F212 WeakPolarHBondContact O-CD1 3.46Å; H209-F212 PolarHBondContact O-N 3.23Å; H209-F212 VanDerWaalsContact O-N 3.13Å; H210-F212 PolarHBondContact O-N 3.36Å; F212-F215 WeakPolarHBondContact O-CB 3.32Å; F212-F215 PolarHBondContact O-N 2.87Å; F212-F216 HydrophobicContact CD2-CD2 4.02Å; F212-F216 HydrophobicContact CD2-CE2 4.35Å; F212-F216 VanDerWaalsContact O-CD2 3.29Å; F212-F216 WeakPolarHBondContact O-CD2 3.37Å; F212-F216 PolarHBondContact O-N 3.08Å; F212-Y280 AromaticContact CE2-CE1 3.96Å; F212-Y280 HydrophobicContact CE2-CE1 3.96Å; F212-Y280 AromaticContact CZ-CE1 3.8Å; F212-Y280 HydrophobicContact CZ-CE1 3.8Å; F212-Y280 AromaticContact CZ-CZ 3.81Å; F212-Y280 VanDerWaalsContact CZ-OH 3.23Å; F212-Y280 WeakPolarHBondContact CZ-OH 3.43Å
213	V	95	Very high	93.8	Very high	71 Å²	71	51.3 Å²	51.3	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-62.3	-48.9	177.4	178.1	0	0	0	0	110.5	H210 L211 F215 F216 I217	H210-V213 PolarHBondContact O-N 3.45Å; L211-V213 PolarHBondContact O-N 3.42Å; L211-V213 VanDerWaalsContact O-N 3.14Å; V213-F215 VanDerWaalsContact C-N 3.33Å; V213-F216 PolarHBondContact O-N 3.43Å; V213-I217 HydrophobicContact CG1-CD1 4.01Å; V213-I217 WeakPolarHBondContact O-CG1 3.31Å; V213-I217 PolarHBondContact O-N 3.47Å; V213-I217 VanDerWaalsContact O-N 3.08Å
214	I	96.6	Very high	94.1	Very high	80 Å²	80	52 Å²	52	41%	0.41	27%	0.274	S	S	.	.	H	α-helix	trans	-64.3	-41.7	176.9	-58.4	178.7	0	0	0	110	V181 L211 F216 I217 G218	V181-I214 HydrophobicContact CG1-CG2 4.06Å; L211-I214 HydrophobicContact CD2-CD1 3.9Å; L211-I214 PolarHBondContact O-N 3.34Å; L211-I214 VanDerWaalsContact O-N 3.08Å; I214-F216 PolarHBondContact O-N 3.4Å; I214-I217 PolarHBondContact O-N 3.33Å; I214-G218 PolarHBondContact O-N 3.08Å
215	F	97.1	Very high	94.2	Very high	19 Å²	19	50.7 Å²	50.7	8%	0.083	26%	0.262	C	S	.	.	H	α-helix	trans	-56	-49.6	176	173.9	-91.4	0	0	0	112.2	I182 C185 L186 L211 F212 V213 G218 L219	I182-F215 HydrophobicContact CB-CD2 4.08Å; I182-F215 HydrophobicContact CB-CE2 4.48Å; C185-F215 HydrophobicContact CB-CB 4.48Å; L186-F215 HydrophobicContact CB-CD2 4.32Å; L186-F215 HydrophobicContact CB-CE2 4.25Å; L186-F215 HydrophobicContact CD1-CE2 4.3Å; L211-F215 PolarHBondContact O-N 3.41Å; F212-F215 WeakPolarHBondContact O-CB 3.32Å; F212-F215 PolarHBondContact O-N 2.87Å; V213-F215 VanDerWaalsContact C-N 3.33Å; F215-G218 PolarHBondContact O-N 3.4Å; F215-L219 HydrophobicContact CE1-CD2 3.96Å; F215-L219 HydrophobicContact CZ-CD2 4.29Å; F215-L219 WeakPolarHBondContact O-CB 3.13Å; F215-L219 PolarHBondContact O-N 2.95Å
216	F	95.9	Very high	94.3	Very high	10 Å²	10	55.1 Å²	55.1	4%	0.044	28%	0.278	C	S	.	.	H	α-helix	trans	-70	-37.8	-179.3	-86.8	-79.5	0	0	0	113.1	C64 I67 L68 F212 V213 I214 L219 A220 I273 M277	C64-F216 HydrophobicContact CB-CE1 4.31Å; I67-F216 HydrophobicContact CG2-CE2 4.31Å; I67-F216 HydrophobicContact CG2-CZ 3.76Å; L68-F216 HydrophobicContact CD1-CE1 4.29Å; L68-F216 HydrophobicContact CD1-CE2 4.07Å; L68-F216 HydrophobicContact CD1-CZ 3.83Å; L68-F216 HydrophobicContact CD2-CE2 3.9Å; L68-F216 HydrophobicContact CD2-CZ 4.21Å; L68-F216 HydrophobicContact CG-CE2 4.04Å; L68-F216 HydrophobicContact CG-CZ 3.83Å; F212-F216 HydrophobicContact CD2-CD2 4.02Å; F212-F216 HydrophobicContact CD2-CE2 4.35Å; F212-F216 VanDerWaalsContact O-CD2 3.29Å; F212-F216 WeakPolarHBondContact O-CD2 3.37Å; F212-F216 PolarHBondContact O-N 3.08Å; V213-F216 PolarHBondContact O-N 3.43Å; I214-F216 PolarHBondContact O-N 3.4Å; F216-L219 PolarHBondContact O-N 2.91Å; F216-A220 PolarHBondContact O-N 2.64Å; F216-I273 HydrophobicContact CD1-CB 4.28Å; F216-I273 HydrophobicContact CD1-CG2 4.18Å; F216-I273 HydrophobicContact CE1-CB 4.36Å; F216-I273 HydrophobicContact CE1-CG2 4.03Å; F216-M277 HydrophobicContact CB-SD 4.13Å; F216-M277 HydrophobicContact CD1-CG 4.31Å; F216-M277 HydrophobicContact CD1-SD 4.02Å; F216-M277 HydrophobicContact CG-SD 4.32Å
217	I	94.8	Very high	94.4	Very high	102 Å²	102	52.8 Å²	52.8	52%	0.523	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-50.6	173.6	-68.6	169.2	0	0	0	109.6	V213 I214 L219 A220 I221	V213-I217 HydrophobicContact CG1-CD1 4.01Å; V213-I217 WeakPolarHBondContact O-CG1 3.31Å; V213-I217 PolarHBondContact O-N 3.47Å; V213-I217 VanDerWaalsContact O-N 3.08Å; I214-I217 PolarHBondContact O-N 3.33Å; I217-L219 VanDerWaalsContact C-N 3.33Å; I217-L219 PolarHBondContact O-N 2.58Å; I217-A220 WeakPolarHBondContact O-CB 3.45Å; I217-A220 PolarHBondContact O-N 3.1Å; I217-I221 WeakPolarHBondContact O-CG1 3.26Å; I217-I221 PolarHBondContact O-N 2.93Å
218	G	95.3	Very high	94.5	Very high	7 Å²	7	48 Å²	48	7%	0.072	25%	0.254	C	S	.	.	H	α-helix	trans	-59.6	-42.4	177.7	0	0	0	0	0	112.5	I214 F215 A220 I221 H222	I214-G218 PolarHBondContact O-N 3.08Å; F215-G218 PolarHBondContact O-N 3.4Å; G218-A220 VanDerWaalsContact C-N 3.33Å; G218-A220 PolarHBondContact O-N 3.28Å; G218-I221 WeakPolarHBondContact O-CG1 3.29Å; G218-I221 PolarHBondContact O-N 3.01Å; G218-H222 VanDerWaalsContact O-CB 3.29Å; G218-H222 WeakPolarHBondContact O-CB 3.06Å; G218-H222 PolarHBondContact O-N 3.01Å
219	L	95	Very high	94.4	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-37.1	178	-177.8	60.2	0	0	0	112.3	C64 F215 F216 I217 I221 T269 I273	C64-L219 HydrophobicContact CB-CD2 3.89Å; F215-L219 HydrophobicContact CE1-CD2 3.96Å; F215-L219 HydrophobicContact CZ-CD2 4.29Å; F215-L219 WeakPolarHBondContact O-CB 3.13Å; F215-L219 PolarHBondContact O-N 2.95Å; F216-L219 PolarHBondContact O-N 2.91Å; I217-L219 VanDerWaalsContact C-N 3.33Å; I217-L219 PolarHBondContact O-N 2.58Å; L219-I221 VanDerWaalsContact C-N 3.35Å; L219-I221 PolarHBondContact O-N 2.6Å; L219-T269 HydrophobicContact CD1-CG2 4.01Å; L219-T269 HydrophobicContact CD2-CG2 4.31Å; L219-T269 HydrophobicContact CG-CG2 3.66Å; L219-T269 WeakPolarHBondContact O-CG2 3.07Å; L219-I273 HydrophobicContact CD2-CG2 4.33Å
220	A	93.9	Very high	94.4	Very high	38 Å²	38	45.9 Å²	45.9	31%	0.314	24%	0.241	S	C	.	.	H	α-helix	trans	-63.9	-39	176.9	0	0	0	0	0	112.6	F216 I217 G218 I273	F216-A220 PolarHBondContact O-N 2.64Å; I217-A220 WeakPolarHBondContact O-CB 3.45Å; I217-A220 PolarHBondContact O-N 3.1Å; G218-A220 VanDerWaalsContact C-N 3.33Å; G218-A220 PolarHBondContact O-N 3.28Å; A220-I273 HydrophobicContact CB-CD1 3.79Å
221	I	94.9	Very high	94.4	Very high	77 Å²	77	42.9 Å²	42.9	40%	0.395	23%	0.227	S	C	.	.	H	α-helix	trans	-89.3	-20.7	-177.6	61.4	171.8	0	0	0	113.6	T178 I217 G218 L219 G223 V224	T178-I221 HydrophobicContact CG2-CD1 3.52Å; T178-I221 HydrophobicContact CG2-CG1 3.66Å; I217-I221 WeakPolarHBondContact O-CG1 3.26Å; I217-I221 PolarHBondContact O-N 2.93Å; G218-I221 WeakPolarHBondContact O-CG1 3.29Å; G218-I221 PolarHBondContact O-N 3.01Å; L219-I221 VanDerWaalsContact C-N 3.35Å; L219-I221 PolarHBondContact O-N 2.6Å; I221-G223 VanDerWaalsContact C-N 3.25Å; I221-G223 PolarHBondContact O-N 3.15Å; I221-G223 VanDerWaalsContact O-N 3.12Å; I221-V224 VanDerWaalsContact O-CB 3.31Å; I221-V224 WeakPolarHBondContact O-CB 3.33Å; I221-V224 VanDerWaalsContact O-CG2 3.28Å; I221-V224 WeakPolarHBondContact O-CG2 3.23Å; I221-V224 PolarHBondContact O-N 2.92Å
222	H	95.1	Very high	94.3	Very high	36 Å²	36	42.7 Å²	42.7	17%	0.167	23%	0.228	C	C	.	.	H	α-helix	trans	-54	-37.8	-173	-179.9	67.3	0	0	0	114.1	H115 A175 T178 G179 I182 G218	H115-H222 AromaticContact NE2-NE2 3.81Å; A175-H222 PolarHBondContact O-CE1 2.53Å; A175-H222 PolarHBondContact O-ND1 3.44Å; A175-H222 VanDerWaalsContact O-ND1 3.14Å; T178-H222 WeakPolarHBondContact OG1-CA 3.43Å; T178-H222 PolarHBondContact OG1-ND1 3.19Å; G179-H222 PolarHBondContact N-ND1 3.48Å; I182-H222 HydrophobicContact CD1-CB 4.42Å; G218-H222 VanDerWaalsContact O-CB 3.29Å; G218-H222 WeakPolarHBondContact O-CB 3.06Å; G218-H222 PolarHBondContact O-N 3.01Å
223	G	92.3	Very high	94.2	Very high	26 Å²	26	44.6 Å²	44.6	27%	0.268	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-0.4	-179.2	0	0	0	0	0	115.9	I221 E225 R226	I221-G223 VanDerWaalsContact C-N 3.25Å; I221-G223 PolarHBondContact O-N 3.15Å; I221-G223 VanDerWaalsContact O-N 3.12Å; G223-E225 PolarHBondContact O-N 3.36Å; G223-R226 PolarHBondContact O-N 3.15Å
224	V	93	Very high	94.1	Very high	81 Å²	81	48.6 Å²	48.6	49%	0.491	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-31.7	-167.6	171.8	0	0	0	0	113.1	I221 R226	I221-V224 VanDerWaalsContact O-CB 3.31Å; I221-V224 WeakPolarHBondContact O-CB 3.33Å; I221-V224 VanDerWaalsContact O-CG2 3.28Å; I221-V224 WeakPolarHBondContact O-CG2 3.23Å; I221-V224 PolarHBondContact O-N 2.92Å; V224-R226 WeakPolarHBondContact O-CG 3.46Å; V224-R226 PolarHBondContact O-N 3.21Å
225	E	91.1	Very high	94	Very high	45 Å²	45	45.1 Å²	45.1	21%	0.21	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.1	-178.4	-169.4	176.3	-175.4	0	0	113.5	R173 V174 A175 G223 I227	R173-E225 WeakPolarHBondContact CD-OE1 3.27Å; R173-E225 IonicContact CZ-OE1 3.65Å; R173-E225 IonicContact NE-OE1 3.35Å; R173-E225 IonicContact NH1-OE1 2.67Å; R173-E225 PolarHBondContact NH1-OE1 3.05Å; R173-E225 VanDerWaalsContact NH1-OE1 3.08Å; V174-E225 HydrophobicContact CB-CB 4.38Å; V174-E225 PolarHBondContact N-OE2 3.14Å; A175-E225 PolarHBondContact N-OE2 2.62Å; G223-E225 PolarHBondContact O-N 3.36Å; E225-I227 VanDerWaalsContact C-N 3.27Å; E225-I227 HydrophobicContact CB-CG2 3.96Å; E225-I227 HydrophobicContact CG-CG2 3.66Å; E225-I227 PolarHBondContact O-N 3.11Å
226	R	93.5	Very high	93.9	Very high	127 Å²	127	46 Å²	46	48%	0.479	25%	0.253	S	S	.	.			trans	53.6	39.6	177.6	-45.2	-173.1	-175	-179.2	0.6	113.9	G223 V224 V228 G264 N265	G223-R226 PolarHBondContact O-N 3.15Å; V224-R226 WeakPolarHBondContact O-CG 3.46Å; V224-R226 PolarHBondContact O-N 3.21Å; R226-V228 PolarHBondContact O-N 3.31Å; R226-V228 VanDerWaalsContact O-N 3.12Å; R226-G264 VanDerWaalsContact O-CA 3.28Å; R226-G264 WeakPolarHBondContact O-CA 3.19Å; R226-N265 WeakPolarHBondContact CB-O 3.36Å; R226-N265 WeakPolarHBondContact CG-O 3.45Å
227	I	90.9	Very high	93.7	Very high	29 Å²	29	50.7 Å²	50.7	15%	0.149	28%	0.282	C	S	.	.			trans	-60.7	-22.3	-176.6	61	168.8	0	0	0	114.4	F155 A175 E225 R229	F155-I227 HydrophobicContact CB-CB 4.49Å; F155-I227 HydrophobicContact CD1-CB 4.35Å; F155-I227 HydrophobicContact CG-CB 4.42Å; A175-I227 HydrophobicContact CB-CD1 3.71Å; A175-I227 HydrophobicContact CB-CG1 4.41Å; A175-I227 HydrophobicContact CB-CG2 4.49Å; E225-I227 VanDerWaalsContact C-N 3.27Å; E225-I227 HydrophobicContact CB-CG2 3.96Å; E225-I227 HydrophobicContact CG-CG2 3.66Å; E225-I227 PolarHBondContact O-N 3.11Å; I227-R229 PolarHBondContact O-N 3.2Å
228	V	91.7	Very high	93.6	Very high	17 Å²	17	52.8 Å²	52.8	10%	0.103	29%	0.288	C	S	.	.			trans	-87.4	103.4	176.8	-178.4	0	0	0	0	108.8	Y33 L50 R54 R226 N265	Y33-V228 HydrophobicContact CE1-CG1 3.9Å; L50-V228 HydrophobicContact CD1-CG1 3.76Å; R54-V228 HydrophobicContact CG-CG1 4.48Å; R226-V228 PolarHBondContact O-N 3.31Å; R226-V228 VanDerWaalsContact O-N 3.12Å; V228-N265 PolarHBondContact O-N 3.03Å; V228-N265 VanDerWaalsContact O-N 3.14Å
229	R	94.3	Very high	93.4	Very high	37 Å²	37	52.5 Å²	52.5	14%	0.14	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	145.2	-174	-54.2	179.4	75.5	109.6	-3.5	111	T42 Y152 L153 I227 F262 A263	T42-R229 VanDerWaalsContact CG2-O 3.31Å; T42-R229 WeakPolarHBondContact CG2-O 3.41Å; T42-R229 PolarHBondContact OG1-O 2.95Å; Y152-R229 VanDerWaalsContact O-CD 3.25Å; Y152-R229 WeakPolarHBondContact O-CD 3.3Å; Y152-R229 PolarHBondContact O-NE 3.34Å; Y152-R229 PolarHBondContact OH-NH1 3.19Å; L153-R229 HydrophobicContact CD1-CB 4.31Å; I227-R229 PolarHBondContact O-N 3.2Å; R229-F262 HydrophobicContact CB-CB 4.34Å; R229-F262 PolarHBondContact NH2-O 3.41Å; R229-A263 WeakPolarHBondContact CA-O 3.36Å
230	G	94.6	Very high	93.3	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.01	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	165.9	171.5	0	0	0	0	0	109.9	F262 A263	G230-F262 VanDerWaalsContact O-CA 3.31Å; G230-F262 WeakPolarHBondContact O-CA 3.42Å; G230-A263 PolarHBondContact N-O 3.21Å; G230-A263 PolarHBondContact O-N 3.42Å
231	Q	95.5	Very high	93.2	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	138.4	178.8	-163	175.5	4.5	0	0	110.1	K38 S235 L236 H239 Q261 F262	K38-Q231 WeakPolarHBondContact CG-O 3.39Å; K38-Q231 PolarHBondContact O-N 3.28Å; Q231-S235 PolarHBondContact NE2-O 3.12Å; Q231-S235 PolarHBondContact NE2-OG 3.05Å; Q231-L236 HydrophobicContact CB-CD2 4.18Å; Q231-L236 HydrophobicContact CB-CG 4.07Å; Q231-L236 HydrophobicContact CG-CD2 4.19Å; Q231-L236 HydrophobicContact CG-CG 3.97Å; Q231-H239 PolarHBondContact NE2-CD2 3.24Å; Q231-H239 PolarHBondContact NE2-O 3.19Å; Q231-Q261 WeakPolarHBondContact CA-O 3.35Å; Q231-F262 HydrophobicContact CB-CD1 4.28Å; Q231-F262 HydrophobicContact CB-CE1 4.22Å
232	T	95.1	Very high	92.9	Very high	38 Å²	38	59.3 Å²	59.3	23%	0.233	30%	0.301	C	S	.	.			trans	-70	154	178.3	56.3	0	0	0	0	110.6	E234 S235 L236 Q261 A263	T232-E234 VanDerWaalsContact C-N 3.3Å; T232-E234 PolarHBondContact O-N 3.16Å; T232-S235 PolarHBondContact O-N 3.33Å; T232-S235 WeakPolarHBondContact OG1-CB 3.35Å; T232-S235 PolarHBondContact OG1-N 3.03Å; T232-L236 WeakPolarHBondContact O-CG 3.37Å; T232-L236 PolarHBondContact O-N 3.16Å; T232-Q261 PolarHBondContact N-O 2.92Å; T232-Q261 PolarHBondContact OG1-O 2.83Å; T232-Q261 VanDerWaalsContact OG1-O 3.06Å; T232-A263 HydrophobicContact CG2-CB 3.65Å
233	A	93.5	Very high	92.6	Very high	80 Å²	80	61.6 Å²	61.6	66%	0.661	32%	0.318	S	S	*	.	H	α-helix	trans	-59.7	-42.1	179	0	0	0	0	0	111.8	S235 L236 V237	A233-S235 VanDerWaalsContact C-N 3.35Å; A233-S235 PolarHBondContact O-N 3.04Å; A233-L236 PolarHBondContact O-N 3.04Å; A233-V237 PolarHBondContact O-N 3.4Å
234	E	93.1	Very high	92.5	Very high	154 Å²	154	60.4 Å²	60.4	72%	0.72	31%	0.305	S	S	*	.	H	α-helix	trans	-62.4	-41.3	175.5	-65.2	174.5	-162.4	0	0	112.1	T232 V237 K238	T232-E234 VanDerWaalsContact C-N 3.3Å; T232-E234 PolarHBondContact O-N 3.16Å; E234-V237 PolarHBondContact O-N 3.48Å; E234-K238 PolarHBondContact O-N 3.25Å
235	S	93.4	Very high	92.2	Very high	8 Å²	8	58.8 Å²	58.8	6%	0.056	29%	0.292	C	S	.	.	H	α-helix	trans	-69.2	-35.1	176.6	-179.4	0	0	0	0	112.4	Q231 T232 A233 V237 K238 H239 P260 Q261	Q231-S235 PolarHBondContact NE2-O 3.12Å; Q231-S235 PolarHBondContact NE2-OG 3.05Å; T232-S235 PolarHBondContact O-N 3.33Å; T232-S235 WeakPolarHBondContact OG1-CB 3.35Å; T232-S235 PolarHBondContact OG1-N 3.03Å; A233-S235 VanDerWaalsContact C-N 3.35Å; A233-S235 PolarHBondContact O-N 3.04Å; S235-V237 VanDerWaalsContact C-N 3.26Å; S235-V237 PolarHBondContact O-N 3.39Å; S235-K238 PolarHBondContact O-N 3.26Å; S235-H239 WeakPolarHBondContact O-CA 3.2Å; S235-H239 WeakPolarHBondContact O-CB 3.25Å; S235-H239 PolarHBondContact O-N 3.26Å; S235-P260 WeakPolarHBondContact OG-CA 3.33Å; S235-Q261 PolarHBondContact OG-N 2.99Å
236	L	94.2	Very high	92	Very high	37 Å²	37	64.7 Å²	64.7	19%	0.194	32%	0.319	C	S	.	.	H	α-helix	trans	-62.7	-33.1	176.9	-79.4	164.9	0	0	0	112.7	V37 K38 Q231 T232 A233 P241	V37-L236 HydrophobicContact CB-CD2 4.46Å; V37-L236 HydrophobicContact CG2-CD2 3.97Å; K38-L236 HydrophobicContact CB-CD1 4.14Å; Q231-L236 HydrophobicContact CB-CD2 4.18Å; Q231-L236 HydrophobicContact CB-CG 4.07Å; Q231-L236 HydrophobicContact CG-CD2 4.19Å; Q231-L236 HydrophobicContact CG-CG 3.97Å; T232-L236 WeakPolarHBondContact O-CG 3.37Å; T232-L236 PolarHBondContact O-N 3.16Å; A233-L236 PolarHBondContact O-N 3.04Å; L236-P241 HydrophobicContact CD2-CG 4.14Å
237	V	92.8	Very high	91.6	Very high	109 Å²	109	62.8 Å²	62.8	66%	0.661	32%	0.315	S	S	*	.	H	α-helix	trans	-68.6	-42.1	176.9	175.9	0	0	0	0	110.9	A233 E234 S235	A233-V237 PolarHBondContact O-N 3.4Å; E234-V237 PolarHBondContact O-N 3.48Å; S235-V237 VanDerWaalsContact C-N 3.26Å; S235-V237 PolarHBondContact O-N 3.39Å
238	K	92.2	Very high	91.3	Very high	146 Å²	146	63.5 Å²	63.5	64%	0.635	32%	0.318	S	S	*	.	H	α-helix	trans	-87.1	-33.6	-175.4	-62.9	-178	180	179.7	0	113.9	E234 S235 P258	E234-K238 PolarHBondContact O-N 3.25Å; S235-K238 PolarHBondContact O-N 3.26Å; K238-P258 HydrophobicContact CB-CG 3.9Å; K238-P258 WeakPolarHBondContact O-CD 3.44Å
239	H	92.4	Very high	90.9	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-123.3	94.2	-177.5	-176.7	106.1	0	0	0	108.6	Y41 Q231 S235 P241 C244 W251 P258	Y41-H239 AromaticContact CE2-CD2 3.77Å; Y41-H239 AromaticContact CE2-NE2 3.63Å; Y41-H239 AromaticContact CZ-CD2 3.94Å; Y41-H239 AromaticContact CZ-NE2 3.38Å; Y41-H239 PolarHBondContact OH-CD2 2.95Å; Y41-H239 PolarHBondContact OH-NE2 3.11Å; Q231-H239 PolarHBondContact NE2-CD2 3.24Å; Q231-H239 PolarHBondContact NE2-O 3.19Å; S235-H239 WeakPolarHBondContact O-CA 3.2Å; S235-H239 WeakPolarHBondContact O-CB 3.25Å; S235-H239 PolarHBondContact O-N 3.26Å; H239-P241 WeakPolarHBondContact O-CD 3.46Å; H239-C244 VanDerWaalsContact CE1-CB 3.45Å; H239-C244 WeakPolarHBondContact CE1-CB 3.28Å; H239-C244 WeakPolarHBondContact NE2-CB 3.37Å; H239-W251 AromaticContact CE1-CD1 3.92Å; H239-W251 AromaticContact CE1-CD2 3.83Å; H239-W251 AromaticContact CE1-CE2 3.58Å; H239-W251 AromaticContact CE1-NE1 3.63Å; H239-W251 AromaticContact NE2-CE2 3.93Å; H239-W251 AromaticContact NE2-CZ2 3.96Å; H239-P258 HydrophobicContact CB-CG 4.42Å; H239-P258 PolarHBondContact ND1-O 3.48Å
240	R	92.2	Very high	90.5	Very high	157 Å²	157	68.7 Å²	68.7	59%	0.592	35%	0.353	S	S	*	.			trans	-85	119	-178	-65.8	-175.1	-175.1	-176.8	1.2	110.4	E242 V243 C244	R240-E242 PolarHBondContact O-N 3.22Å; R240-V243 PolarHBondContact O-N 3.31Å; R240-C244 WeakPolarHBondContact O-CB 3.45Å; R240-C244 PolarHBondContact O-N 3.34Å
241	P	91.8	Very high	90.2	Very high	3 Å²	3	70 Å²	70	2%	0.019	36%	0.357	C	S	.	.	H	α-helix	trans	-56.2	-37.1	-176.6	-27.3	35.7	0	0	0	114.3	F40 Y41 L236 H239 V243 E245	F40-P241 HydrophobicContact CB-CB 4.05Å; F40-P241 HydrophobicContact CB-CG 4.27Å; F40-P241 HydrophobicContact CD1-CB 3.7Å; F40-P241 HydrophobicContact CE1-CB 4.34Å; F40-P241 HydrophobicContact CG-CB 3.83Å; Y41-P241 HydrophobicContact CE2-CB 4.1Å; Y41-P241 HydrophobicContact CE2-CG 3.95Å; Y41-P241 WeakPolarHBondContact OH-CA 3.33Å; L236-P241 HydrophobicContact CD2-CG 4.14Å; H239-P241 WeakPolarHBondContact O-CD 3.46Å; P241-V243 PolarHBondContact O-N 3.49Å; P241-E245 WeakPolarHBondContact O-CB 3.28Å; P241-E245 PolarHBondContact O-N 2.78Å
242	E	88.7	Confident	89.7	Confident	114 Å²	114	72 Å²	72	53%	0.533	38%	0.379	S	S	.	.	H	α-helix	trans	-64.1	-27.1	-176.3	-54	82.5	-175.8	0	0	113.2	V37 R240	V37-E242 VanDerWaalsContact CG1-OE1 3.24Å; V37-E242 WeakPolarHBondContact CG1-OE1 3.02Å; R240-E242 PolarHBondContact O-N 3.22Å
243	V	88.9	Confident	89.3	Confident	84 Å²	84	78.1 Å²	78.1	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-100	-44	-179.5	-178.8	0	0	0	0	110.5	R240 P241	R240-V243 PolarHBondContact O-N 3.31Å; P241-V243 PolarHBondContact O-N 3.49Å
244	C	89.8	Confident	89	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-81.6	-19.7	-171.1	-62.7	0	0	0	0	113.5	H239 R240 Q246 K247 W251 C257	H239-C244 VanDerWaalsContact CE1-CB 3.45Å; H239-C244 WeakPolarHBondContact CE1-CB 3.28Å; H239-C244 WeakPolarHBondContact NE2-CB 3.37Å; R240-C244 WeakPolarHBondContact O-CB 3.45Å; R240-C244 PolarHBondContact O-N 3.34Å; C244-Q246 PolarHBondContact O-N 3.11Å; C244-K247 PolarHBondContact O-N 2.82Å; C244-K247 VanDerWaalsContact O-N 3.1Å; C244-W251 PolarHBondContact O-NE1 3.39Å; C244-C257 WeakPolarHBondContact CA-SG 3.25Å; C244-C257 HydrophobicContact CB-CB 3.88Å; C244-C257 WeakPolarHBondContact CB-SG 3.23Å; C244-C257 VanDerWaalsContact SG-CA 3.52Å; C244-C257 WeakPolarHBondContact SG-CB 3.14Å; C244-C257 CovalentContact SG-SG 2.05Å; C244-C257 PolarHBondContact SG-SG 3.49Å
245	E	87.4	Confident	88.6	Confident	48 Å²	48	78.8 Å²	78.8	22%	0.224	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-52.9	-39.6	175	171.3	176.9	-152.1	0	0	112.8	F40 K44 Y137 P241 K247	F40-E245 HydrophobicContact CE1-CB 4.18Å; F40-E245 HydrophobicContact CE1-CG 4.14Å; F40-E245 HydrophobicContact CZ-CG 4.4Å; F40-E245 WeakPolarHBondContact CZ-OE1 3.5Å; F40-E245 WeakPolarHBondContact CZ-OE2 3.48Å; K44-E245 WeakPolarHBondContact CE-OE1 3.38Å; K44-E245 IonicContact NZ-OE1 2.66Å; K44-E245 PolarHBondContact NZ-OE1 2.91Å; Y137-E245 HydrophobicContact CE2-CG 3.76Å; Y137-E245 WeakPolarHBondContact OH-CG 3.36Å; P241-E245 WeakPolarHBondContact O-CB 3.28Å; P241-E245 PolarHBondContact O-N 2.78Å; E245-K247 VanDerWaalsContact C-N 3.25Å; E245-K247 PolarHBondContact O-N 3.49Å
246	Q	85.9	Confident	88.2	Confident	168 Å²	168	81.9 Å²	81.9	79%	0.785	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-76.7	-12.5	-176.2	-62.2	-179.7	-0.4	0	0	113.3	C244	C244-Q246 PolarHBondContact O-N 3.11Å
247	K	85.8	Confident	88	Confident	88 Å²	88	80.1 Å²	80.1	38%	0.383	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-122.9	39.5	-168.3	-62.2	-173.9	173.6	-164.2	0	113.6	C244 E245 S249 E250 W251 I254	C244-K247 PolarHBondContact O-N 2.82Å; C244-K247 VanDerWaalsContact O-N 3.1Å; E245-K247 VanDerWaalsContact C-N 3.25Å; E245-K247 PolarHBondContact O-N 3.49Å; K247-S249 VanDerWaalsContact C-N 3.29Å; K247-S249 PolarHBondContact O-N 2.95Å; K247-E250 HydrophobicContact CB-CB 4.33Å; K247-E250 PolarHBondContact O-N 2.83Å; K247-W251 PolarHBondContact O-N 3.33Å; K247-W251 PolarHBondContact O-NE1 3Å; K247-I254 HydrophobicContact CD-CD1 4.24Å
248	I	83.6	Confident	87.9	Confident	44 Å²	44	76.9 Å²	76.9	23%	0.226	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-54.7	-41.7	-175.7	-65	163.7	0	0	0	113.5	Y137 A140 E250 W251	Y137-I248 HydrophobicContact CD1-CD1 4.41Å; Y137-I248 HydrophobicContact CD2-CD1 2.97Å; Y137-I248 HydrophobicContact CD2-CG1 4.23Å; Y137-I248 HydrophobicContact CE2-CD1 3.1Å; Y137-I248 HydrophobicContact CE2-CG1 3.94Å; Y137-I248 HydrophobicContact CG-CD1 3.63Å; A140-I248 HydrophobicContact CB-CG2 3.76Å; I248-E250 PolarHBondContact O-N 3.1Å; I248-W251 HydrophobicContact CB-CZ2 4.38Å; I248-W251 HydrophobicContact CG1-CH2 4.02Å; I248-W251 HydrophobicContact CG1-CZ2 3.62Å; I248-W251 HydrophobicContact CG2-CD2 4.4Å; I248-W251 HydrophobicContact CG2-CE3 4.35Å; I248-W251 HydrophobicContact CG2-CZ3 4.43Å; I248-W251 WeakPolarHBondContact O-CB 3.37Å; I248-W251 PolarHBondContact O-N 3.12Å
249	S	83.2	Confident	87.9	Confident	89 Å²	89	72.2 Å²	72.2	62%	0.622	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-66.3	-15.8	-179.2	53.1	0	0	0	0	113.6	K247 K253	K247-S249 VanDerWaalsContact C-N 3.29Å; K247-S249 PolarHBondContact O-N 2.95Å; S249-K253 WeakPolarHBondContact O-CE 3.49Å; S249-K253 PolarHBondContact O-NZ 2.87Å
250	E	85.5	Confident	87.9	Confident	74 Å²	74	72.2 Å²	72.2	35%	0.346	37%	0.372	S	S	.	.	G	3₁₀ helix	trans	-101.6	-2.4	179.9	-60.8	177.5	-163.7	0	0	112.9	K247 I248 G252 K253 I254	K247-E250 HydrophobicContact CB-CB 4.33Å; K247-E250 PolarHBondContact O-N 2.83Å; I248-E250 PolarHBondContact O-N 3.1Å; E250-G252 PolarHBondContact O-N 3.47Å; E250-K253 WeakPolarHBondContact O-CB 3.42Å; E250-K253 PolarHBondContact O-N 3.38Å; E250-I254 HydrophobicContact CB-CD1 4.23Å; E250-I254 HydrophobicContact CB-CG1 4.28Å; E250-I254 PolarHBondContact O-N 2.91Å
251	W	88.7	Confident	88	Confident	27 Å²	27	67.8 Å²	67.8	10%	0.102	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	128.4	179.4	-71.2	2	0	0	0	111.7	Y41 L141 L144 H239 C244 K247 I248 K253 C257 P260	Y41-W251 AromaticContact CD1-CH2 3.99Å; Y41-W251 HydrophobicContact CD1-CH2 3.99Å; Y41-W251 AromaticContact CE1-CH2 3.5Å; Y41-W251 HydrophobicContact CE1-CH2 3.5Å; Y41-W251 AromaticContact CE1-CZ2 3.61Å; Y41-W251 HydrophobicContact CE1-CZ2 3.61Å; Y41-W251 AromaticContact CZ-CZ2 3.94Å; L141-W251 HydrophobicContact CD2-CH2 3.82Å; L141-W251 HydrophobicContact CD2-CZ3 3.88Å; L144-W251 HydrophobicContact CD1-CZ3 4.16Å; H239-W251 AromaticContact CE1-CD1 3.92Å; H239-W251 AromaticContact CE1-CD2 3.83Å; H239-W251 AromaticContact CE1-CE2 3.58Å; H239-W251 AromaticContact CE1-NE1 3.63Å; H239-W251 AromaticContact NE2-CE2 3.93Å; H239-W251 AromaticContact NE2-CZ2 3.96Å; C244-W251 PolarHBondContact O-NE1 3.39Å; K247-W251 PolarHBondContact O-N 3.33Å; K247-W251 PolarHBondContact O-NE1 3Å; I248-W251 HydrophobicContact CB-CZ2 4.38Å; I248-W251 HydrophobicContact CG1-CH2 4.02Å; I248-W251 HydrophobicContact CG1-CZ2 3.62Å; I248-W251 HydrophobicContact CG2-CD2 4.4Å; I248-W251 HydrophobicContact CG2-CE3 4.35Å; I248-W251 HydrophobicContact CG2-CZ3 4.43Å; I248-W251 WeakPolarHBondContact O-CB 3.37Å; I248-W251 PolarHBondContact O-N 3.12Å; W251-K253 PolarHBondContact O-N 3.5Å; W251-C257 WeakPolarHBondContact CA-O 3.35Å; W251-P260 HydrophobicContact CE3-CG 4.08Å; W251-P260 HydrophobicContact CH2-CG 4.48Å; W251-P260 HydrophobicContact CZ3-CG 3.97Å
252	G	84.8	Confident	88.2	Confident	45 Å²	45	67.9 Å²	67.9	46%	0.464	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	-5.4	-176.2	0	0	0	0	0	115.1	E250 C257	E250-G252 PolarHBondContact O-N 3.47Å; G252-C257 PolarHBondContact N-O 3.03Å
253	K	87.3	Confident	88.5	Confident	166 Å²	166	64.5 Å²	64.5	72%	0.722	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-28.8	174	-59.2	-179.6	-175.2	160.7	0	112.4	S249 E250 W251	S249-K253 WeakPolarHBondContact O-CE 3.49Å; S249-K253 PolarHBondContact O-NZ 2.87Å; E250-K253 WeakPolarHBondContact O-CB 3.42Å; E250-K253 PolarHBondContact O-N 3.38Å; W251-K253 PolarHBondContact O-N 3.5Å
254	I	87.3	Confident	88.6	Confident	53 Å²	53	61.2 Å²	61.2	27%	0.272	33%	0.333	S	S	.	.	S	Bend	trans	-112.2	142.2	177.6	61.3	170.8	0	0	0	110.7	K247 E250 A256 C257	K247-I254 HydrophobicContact CD-CD1 4.24Å; E250-I254 HydrophobicContact CB-CD1 4.23Å; E250-I254 HydrophobicContact CB-CG1 4.28Å; E250-I254 PolarHBondContact O-N 2.91Å; I254-A256 HydrophobicContact CD1-CB 4.33Å; I254-A256 PolarHBondContact O-N 3.41Å; I254-C257 HydrophobicContact CD1-CB 3.99Å; I254-C257 HydrophobicContact CG1-CB 3.94Å; I254-C257 CarbonylContact O-C 3.45Å; I254-C257 PolarHBondContact O-N 3.22Å
255	E	84.3	Confident	88.6	Confident	195 Å²	195	62.5 Å²	62.5	91%	0.911	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-30.2	178.3	-68	-171	163.6	0	0	112.7	C257	E255-C257 VanDerWaalsContact C-N 3.27Å; E255-C257 PolarHBondContact O-N 3.48Å
256	A	85.4	Confident	88.7	Confident	72 Å²	72	63.7 Å²	63.7	60%	0.595	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-20.4	-179.6	0	0	0	0	0	114	I254	I254-A256 HydrophobicContact CD1-CB 4.33Å; I254-A256 PolarHBondContact O-N 3.41Å
257	C	90	Very high	88.9	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.007	32%	0.324	C	S	.	.	S	Bend	trans	-138.3	72.7	179.7	-69.3	0	0	0	0	110.8	C244 W251 G252 I254 E255	C244-C257 WeakPolarHBondContact CA-SG 3.25Å; C244-C257 HydrophobicContact CB-CB 3.88Å; C244-C257 WeakPolarHBondContact CB-SG 3.23Å; C244-C257 VanDerWaalsContact SG-CA 3.52Å; C244-C257 WeakPolarHBondContact SG-CB 3.14Å; C244-C257 CovalentContact SG-SG 2.05Å; C244-C257 PolarHBondContact SG-SG 3.49Å; W251-C257 WeakPolarHBondContact CA-O 3.35Å; G252-C257 PolarHBondContact N-O 3.03Å; I254-C257 HydrophobicContact CD1-CB 3.99Å; I254-C257 HydrophobicContact CG1-CB 3.94Å; I254-C257 CarbonylContact O-C 3.45Å; I254-C257 PolarHBondContact O-N 3.22Å; E255-C257 VanDerWaalsContact C-N 3.27Å; E255-C257 PolarHBondContact O-N 3.48Å
258	P	91.8	Very high	89.1	Confident	41 Å²	41	56.3 Å²	56.3	27%	0.266	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-66	162.5	173.2	29.9	-33.4	0	0	0	110.4	K238 H239	K238-P258 HydrophobicContact CB-CG 3.9Å; K238-P258 WeakPolarHBondContact O-CD 3.44Å; H239-P258 HydrophobicContact CB-CG 4.42Å; H239-P258 PolarHBondContact ND1-O 3.48Å
259	I	91.1	Very high	89.6	Confident	47 Å²	47	55.2 Å²	55.2	24%	0.241	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-60.6	128.5	-177.5	-57.2	177.4	0	0	0	110.6	L144 E150	L144-I259 HydrophobicContact CD2-CG2 4.04Å; E150-I259 HydrophobicContact CG-CD1 4.16Å; E150-I259 HydrophobicContact CG-CG2 4.21Å; E150-I259 WeakPolarHBondContact OE1-CD1 3.45Å
260	P	93.1	Very high	89.9	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-67.4	140.5	-177.3	25.9	-32	0	0	0	111.5	L144 S235 W251 F262	L144-P260 HydrophobicContact CD1-CG 4.08Å; S235-P260 WeakPolarHBondContact OG-CA 3.33Å; W251-P260 HydrophobicContact CE3-CG 4.08Å; W251-P260 HydrophobicContact CH2-CG 4.48Å; W251-P260 HydrophobicContact CZ3-CG 3.97Å; P260-F262 HydrophobicContact CB-CE2 3.98Å; P260-F262 HydrophobicContact CB-CZ 3.88Å; P260-F262 HydrophobicContact CG-CE2 3.93Å; P260-F262 HydrophobicContact CG-CZ 3.98Å
261	Q	94.6	Very high	90.3	Very high	65 Å²	65	59.4 Å²	59.4	30%	0.304	32%	0.32	S	S	.	.			trans	-111.7	131.3	-179.1	-57.6	-67.3	-27	0	0	111	N149 S151 Q231 T232 S235	N149-Q261 PolarHBondContact O-NE2 2.94Å; S151-Q261 VanDerWaalsContact CB-OE1 3.25Å; S151-Q261 VanDerWaalsContact OG-CA 3.28Å; S151-Q261 WeakPolarHBondContact OG-CA 3.16Å; S151-Q261 PolarHBondContact OG-OE1 3.09Å; Q231-Q261 WeakPolarHBondContact CA-O 3.35Å; T232-Q261 PolarHBondContact N-O 2.92Å; T232-Q261 PolarHBondContact OG1-O 2.83Å; T232-Q261 VanDerWaalsContact OG1-O 3.06Å; S235-Q261 PolarHBondContact OG-N 2.99Å
262	F	95.3	Very high	90.5	Very high	5 Å²	5	60.9 Å²	60.9	2%	0.022	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.1	-171.2	-58.5	-79.6	0	0	0	111.7	Y41 L144 S151 L153 R229 G230 Q231 P260	Y41-F262 HydrophobicContact CD2-CE1 4.08Å; Y41-F262 HydrophobicContact CD2-CZ 4.03Å; Y41-F262 HydrophobicContact CG-CE1 4.39Å; Y41-F262 HydrophobicContact CG-CZ 4.22Å; L144-F262 HydrophobicContact CD1-CE2 3.77Å; L144-F262 HydrophobicContact CD1-CZ 4.48Å; S151-F262 WeakPolarHBondContact CB-O 3.12Å; S151-F262 PolarHBondContact OG-N 3.3Å; L153-F262 HydrophobicContact CB-CD1 4.46Å; L153-F262 HydrophobicContact CB-CD2 3.97Å; L153-F262 HydrophobicContact CB-CE2 4.05Å; L153-F262 HydrophobicContact CB-CG 4.18Å; L153-F262 HydrophobicContact CB-CZ 4.34Å; L153-F262 HydrophobicContact CD1-CD1 3.77Å; L153-F262 HydrophobicContact CD1-CE1 4.01Å; L153-F262 HydrophobicContact CD1-CG 4.16Å; L153-F262 HydrophobicContact CD2-CE1 4.18Å; L153-F262 HydrophobicContact CD2-CZ 4.13Å; L153-F262 HydrophobicContact CG-CE1 4.48Å; R229-F262 HydrophobicContact CB-CB 4.34Å; R229-F262 PolarHBondContact NH2-O 3.41Å; G230-F262 VanDerWaalsContact O-CA 3.31Å; G230-F262 WeakPolarHBondContact O-CA 3.42Å; Q231-F262 HydrophobicContact CB-CD1 4.28Å; Q231-F262 HydrophobicContact CB-CE1 4.22Å; P260-F262 HydrophobicContact CB-CE2 3.98Å; P260-F262 HydrophobicContact CB-CZ 3.88Å; P260-F262 HydrophobicContact CG-CE2 3.93Å; P260-F262 HydrophobicContact CG-CZ 3.98Å
263	A	94.6	Very high	90.9	Very high	43 Å²	43	58.9 Å²	58.9	36%	0.355	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.2	174.4	0	0	0	0	0	111.2	R229 G230 T232	R229-A263 WeakPolarHBondContact CA-O 3.36Å; G230-A263 PolarHBondContact N-O 3.21Å; G230-A263 PolarHBondContact O-N 3.42Å; T232-A263 HydrophobicContact CG2-CB 3.65Å
264	G	91.9	Very high	91.2	Very high	14 Å²	14	55.1 Å²	55.1	14%	0.144	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	139.8	174.4	0	0	0	0	0	112	R226	R226-G264 VanDerWaalsContact O-CA 3.28Å; R226-G264 WeakPolarHBondContact O-CA 3.19Å
265	N	88.4	Confident	91.4	Very high	27 Å²	27	54.4 Å²	54.4	14%	0.144	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-66	143.1	174.8	-67.7	-34.3	0	0	0	110.7	Y33 K38 F39 R226 V228	Y33-N265 PolarHBondContact OH-ND2 3.04Å; Y33-N265 VanDerWaalsContact OH-ND2 3.13Å; K38-N265 PolarHBondContact NZ-OD1 3.37Å; K38-N265 VanDerWaalsContact NZ-OD1 3.1Å; F39-N265 WeakPolarHBondContact CZ-ND2 3.35Å; R226-N265 WeakPolarHBondContact CB-O 3.36Å; R226-N265 WeakPolarHBondContact CG-O 3.45Å; V228-N265 PolarHBondContact O-N 3.03Å; V228-N265 VanDerWaalsContact O-N 3.14Å
266	P	90.1	Very high	91.8	Very high	74 Å²	74	45.7 Å²	45.7	48%	0.481	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-64.6	149.4	177.2	27.7	-34.4	0	0	0	111.3	M268	P266-M268 PolarHBondContact O-N 3.11Å
267	P	90.4	Very high	92.1	Very high	29 Å²	29	45.9 Å²	45.9	19%	0.188	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-64.8	130.9	175.2	27.2	-33.6	0	0	0	110.1	W270	P267-W270 VanDerWaalsContact O-CD1 3.31Å; P267-W270 PolarHBondContact O-NE1 3.45Å
268	M	90.3	Very high	92.2	Very high	72 Å²	72	51.9 Å²	51.9	36%	0.355	28%	0.277	S	S	.	.			trans	-106.8	-19.6	-178.6	-68	-64.1	-74.4	0	0	113	P266 W270 K271 W272	P266-M268 PolarHBondContact O-N 3.11Å; M268-W270 VanDerWaalsContact C-N 3.33Å; M268-W270 PolarHBondContact O-N 2.76Å; M268-K271 HydrophobicContact CE-CD 3.73Å; M268-K271 VanDerWaalsContact O-CB 3.31Å; M268-K271 WeakPolarHBondContact O-CB 2.98Å; M268-K271 PolarHBondContact O-N 3.08Å; M268-K271 HydrophobicContact SD-CD 3.95Å; M268-K271 PolarHBondContact SD-NZ 2.87Å; M268-K271 VanDerWaalsContact SD-NZ 3.42Å; M268-W272 VanDerWaalsContact O-CD1 3.27Å
269	T	92.9	Very high	92.2	Very high	20 Å²	20	53.8 Å²	53.8	12%	0.123	28%	0.284	C	S	.	.	H	α-helix	trans	-56.8	-40.3	-171.8	-62.3	0	0	0	0	113.8	N61 L219 K271 W272 I273	N61-T269 PolarHBondContact ND2-OG1 3.45Å; N61-T269 WeakPolarHBondContact OD1-CB 3.38Å; N61-T269 VanDerWaalsContact OD1-CG2 3.29Å; N61-T269 WeakPolarHBondContact OD1-CG2 3.45Å; N61-T269 PolarHBondContact OD1-OG1 2.91Å; L219-T269 HydrophobicContact CD1-CG2 4.01Å; L219-T269 HydrophobicContact CD2-CG2 4.31Å; L219-T269 HydrophobicContact CG-CG2 3.66Å; L219-T269 WeakPolarHBondContact O-CG2 3.07Å; T269-K271 PolarHBondContact O-N 3.41Å; T269-K271 VanDerWaalsContact O-N 3.16Å; T269-W272 WeakPolarHBondContact O-CB 3.3Å; T269-W272 PolarHBondContact O-N 2.72Å; T269-I273 HydrophobicContact CG2-CD1 4.22Å; T269-I273 HydrophobicContact CG2-CG2 4.35Å; T269-I273 PolarHBondContact O-N 2.72Å
270	W	90.6	Very high	92.3	Very high	134 Å²	134	53 Å²	53	51%	0.508	28%	0.278	S	S	.	.	H	α-helix	trans	-55.7	-34.6	177.5	69.5	-92.9	0	0	0	112.8	P267 M268 W272 I273 V274	P267-W270 VanDerWaalsContact O-CD1 3.31Å; P267-W270 PolarHBondContact O-NE1 3.45Å; M268-W270 VanDerWaalsContact C-N 3.33Å; M268-W270 PolarHBondContact O-N 2.76Å; W270-W272 PolarHBondContact O-N 3.29Å; W270-I273 PolarHBondContact O-N 2.91Å; W270-V274 HydrophobicContact CB-CG2 4.43Å; W270-V274 HydrophobicContact CE3-CG2 4.47Å; W270-V274 WeakPolarHBondContact O-CB 3.48Å; W270-V274 WeakPolarHBondContact O-CG2 3.29Å; W270-V274 PolarHBondContact O-N 3.12Å; W270-V274 VanDerWaalsContact O-N 3.08Å
271	K	92.8	Very high	92.2	Very high	117 Å²	117	57.6 Å²	57.6	51%	0.509	30%	0.302	S	S	.	.	H	α-helix	trans	-63.9	-28.1	178.6	-59.8	-178.2	177.9	178.3	0	112.5	M268 T269	M268-K271 HydrophobicContact CE-CD 3.73Å; M268-K271 VanDerWaalsContact O-CB 3.31Å; M268-K271 WeakPolarHBondContact O-CB 2.98Å; M268-K271 PolarHBondContact O-N 3.08Å; M268-K271 HydrophobicContact SD-CD 3.95Å; M268-K271 PolarHBondContact SD-NZ 2.87Å; M268-K271 VanDerWaalsContact SD-NZ 3.42Å; T269-K271 PolarHBondContact O-N 3.41Å; T269-K271 VanDerWaalsContact O-N 3.16Å
272	W	94.2	Very high	92.2	Very high	58 Å²	58	56.8 Å²	56.8	22%	0.22	30%	0.303	C	S	.	.	H	α-helix	trans	-87.9	-36.4	-179	-63.3	90.1	0	0	0	112.2	N61 F62 M65 M268 T269 W270 P276	N61-W272 HydrophobicContact CB-CB 4.16Å; N61-W272 HydrophobicContact CB-CD2 4.02Å; N61-W272 HydrophobicContact CB-CG 3.69Å; F62-W272 HydrophobicContact CB-CE3 4.5Å; F62-W272 HydrophobicContact CB-CZ3 4.15Å; F62-W272 HydrophobicContact CD2-CZ3 4.04Å; M65-W272 HydrophobicContact CB-CB 4.29Å; M65-W272 HydrophobicContact CB-CE3 4.37Å; M65-W272 WeakPolarHBondContact CB-O 3.37Å; M65-W272 HydrophobicContact CE-CE3 4.31Å; M65-W272 HydrophobicContact CE-CZ3 4.34Å; M65-W272 VanDerWaalsContact CG-O 3.25Å; M65-W272 WeakPolarHBondContact CG-O 3.28Å; M65-W272 HydrophobicContact SD-CE3 3.73Å; M65-W272 HydrophobicContact SD-CZ3 4.22Å; M268-W272 VanDerWaalsContact O-CD1 3.27Å; T269-W272 WeakPolarHBondContact O-CB 3.3Å; T269-W272 PolarHBondContact O-N 2.72Å; W270-W272 PolarHBondContact O-N 3.29Å; W272-P276 WeakPolarHBondContact O-CD 3.22Å
273	I	93.1	Very high	92	Very high	4 Å²	4	57 Å²	57	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-95.2	-26.2	-170.4	66.1	175.5	0	0	0	114.1	F216 L219 A220 T269 W270 G275 P276 M277	F216-I273 HydrophobicContact CD1-CB 4.28Å; F216-I273 HydrophobicContact CD1-CG2 4.18Å; F216-I273 HydrophobicContact CE1-CB 4.36Å; F216-I273 HydrophobicContact CE1-CG2 4.03Å; L219-I273 HydrophobicContact CD2-CG2 4.33Å; A220-I273 HydrophobicContact CB-CD1 3.79Å; T269-I273 HydrophobicContact CG2-CD1 4.22Å; T269-I273 HydrophobicContact CG2-CG2 4.35Å; T269-I273 PolarHBondContact O-N 2.72Å; W270-I273 PolarHBondContact O-N 2.91Å; I273-G275 PolarHBondContact O-N 3.26Å; I273-P276 WeakPolarHBondContact O-CD 3.35Å; I273-M277 HydrophobicContact CB-SD 4.28Å; I273-M277 HydrophobicContact CD1-SD 4.18Å; I273-M277 HydrophobicContact CG1-SD 4.28Å; I273-M277 VanDerWaalsContact O-CB 3.25Å; I273-M277 WeakPolarHBondContact O-CB 3.39Å; I273-M277 VanDerWaalsContact O-CG 3.23Å; I273-M277 WeakPolarHBondContact O-CG 3.27Å; I273-M277 PolarHBondContact O-N 2.84Å
274	V	92.3	Very high	91.8	Very high	86 Å²	86	59.8 Å²	59.8	52%	0.521	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-46.3	-173.9	164.2	0	0	0	0	112.3	W270 M277 F278	W270-V274 HydrophobicContact CB-CG2 4.43Å; W270-V274 HydrophobicContact CE3-CG2 4.47Å; W270-V274 WeakPolarHBondContact O-CB 3.48Å; W270-V274 WeakPolarHBondContact O-CG2 3.29Å; W270-V274 PolarHBondContact O-N 3.12Å; W270-V274 VanDerWaalsContact O-N 3.08Å; V274-M277 PolarHBondContact O-N 3.18Å; V274-F278 WeakPolarHBondContact O-CB 3.16Å; V274-F278 PolarHBondContact O-N 3.11Å
275	G	92.1	Very high	91.9	Very high	38 Å²	38	64 Å²	64	39%	0.392	32%	0.324	S	S	.	.	H	α-helix	trans	-60.3	-57.5	179.7	0	0	0	0	0	113	I273 M277 F278 L279	I273-G275 PolarHBondContact O-N 3.26Å; G275-M277 VanDerWaalsContact C-N 3.34Å; G275-M277 PolarHBondContact O-N 3.31Å; G275-F278 PolarHBondContact O-N 2.9Å; G275-L279 WeakPolarHBondContact O-CG 3.47Å; G275-L279 PolarHBondContact O-N 3.44Å
276	P	92.1	Very high	92	Very high	13 Å²	13	65.9 Å²	65.9	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-38.6	177	-24.7	32.6	0	0	0	113.9	M65 L68 L69 W272 I273 L279 Y280	M65-P276 HydrophobicContact CB-CG 4.23Å; M65-P276 HydrophobicContact CG-CG 3.52Å; M65-P276 WeakPolarHBondContact O-CB 3.43Å; M65-P276 WeakPolarHBondContact O-CG 3.47Å; L68-P276 HydrophobicContact CD1-CB 4.49Å; L69-P276 HydrophobicContact CD2-CB 4.33Å; W272-P276 WeakPolarHBondContact O-CD 3.22Å; I273-P276 WeakPolarHBondContact O-CD 3.35Å; P276-L279 PolarHBondContact O-N 2.9Å; P276-Y280 WeakPolarHBondContact O-CB 3.36Å; P276-Y280 PolarHBondContact O-N 3.39Å
277	M	92	Very high	91.9	Very high	75 Å²	75	63.7 Å²	63.7	37%	0.369	32%	0.319	S	S	.	.	H	α-helix	trans	-64.7	-41	176.4	-77.5	-175.8	59.8	0	0	112	L68 F216 I273 V274 G275 Y280 L281	L68-M277 HydrophobicContact CD1-CG 4.1Å; F216-M277 HydrophobicContact CB-SD 4.13Å; F216-M277 HydrophobicContact CD1-CG 4.31Å; F216-M277 HydrophobicContact CD1-SD 4.02Å; F216-M277 HydrophobicContact CG-SD 4.32Å; I273-M277 HydrophobicContact CB-SD 4.28Å; I273-M277 HydrophobicContact CD1-SD 4.18Å; I273-M277 HydrophobicContact CG1-SD 4.28Å; I273-M277 VanDerWaalsContact O-CB 3.25Å; I273-M277 WeakPolarHBondContact O-CB 3.39Å; I273-M277 VanDerWaalsContact O-CG 3.23Å; I273-M277 WeakPolarHBondContact O-CG 3.27Å; I273-M277 PolarHBondContact O-N 2.84Å; V274-M277 PolarHBondContact O-N 3.18Å; G275-M277 VanDerWaalsContact C-N 3.34Å; G275-M277 PolarHBondContact O-N 3.31Å; M277-Y280 PolarHBondContact O-N 3.39Å; M277-L281 WeakPolarHBondContact O-CB 3.47Å; M277-L281 PolarHBondContact O-N 2.91Å
278	F	92.8	Very high	91.9	Very high	128 Å²	128	68.5 Å²	68.5	56%	0.561	34%	0.337	S	S	*	.	H	α-helix	trans	-62.9	-46	174.9	177.5	-101.3	0	0	0	111.5	V274 G275 Y280 L281 C282	V274-F278 WeakPolarHBondContact O-CB 3.16Å; V274-F278 PolarHBondContact O-N 3.11Å; G275-F278 PolarHBondContact O-N 2.9Å; F278-Y280 VanDerWaalsContact C-N 3.3Å; F278-Y280 PolarHBondContact O-N 2.93Å; F278-L281 WeakPolarHBondContact O-CB 3.22Å; F278-L281 PolarHBondContact O-N 3.25Å; F278-C282 PolarHBondContact O-N 3.05Å; F278-C282 PolarHBondContact O-SG 3.1Å; F278-C282 VanDerWaalsContact O-SG 3.4Å
279	L	92	Very high	91.9	Very high	81 Å²	81	73.4 Å²	73.4	42%	0.424	35%	0.351	S	S	.	.	H	α-helix	trans	-59.4	-41.7	175.5	-70.1	175.5	0	0	0	112.1	L69 G275 P276 C282 E283	L69-L279 HydrophobicContact CD2-CD1 4.06Å; G275-L279 WeakPolarHBondContact O-CG 3.47Å; G275-L279 PolarHBondContact O-N 3.44Å; P276-L279 PolarHBondContact O-N 2.9Å; L279-C282 PolarHBondContact O-N 3.33Å; L279-E283 WeakPolarHBondContact O-CB 3.39Å; L279-E283 PolarHBondContact O-N 3.06Å
280	Y	92.4	Very high	91.7	Very high	31 Å²	31	74.2 Å²	74.2	12%	0.122	35%	0.352	C	S	.	.	H	α-helix	trans	-65.4	-40.4	175.8	-176.5	-96.3	0	0	0	112.2	L68 V71 F212 P276 M277 F278 E283 R284	L68-Y280 HydrophobicContact CD2-CD2 4.35Å; L68-Y280 HydrophobicContact CD2-CE2 4.49Å; V71-Y280 HydrophobicContact CG2-CE2 4.34Å; F212-Y280 AromaticContact CE2-CE1 3.96Å; F212-Y280 HydrophobicContact CE2-CE1 3.96Å; F212-Y280 AromaticContact CZ-CE1 3.8Å; F212-Y280 HydrophobicContact CZ-CE1 3.8Å; F212-Y280 AromaticContact CZ-CZ 3.81Å; F212-Y280 VanDerWaalsContact CZ-OH 3.23Å; F212-Y280 WeakPolarHBondContact CZ-OH 3.43Å; P276-Y280 WeakPolarHBondContact O-CB 3.36Å; P276-Y280 PolarHBondContact O-N 3.39Å; M277-Y280 PolarHBondContact O-N 3.39Å; F278-Y280 VanDerWaalsContact C-N 3.3Å; F278-Y280 PolarHBondContact O-N 2.93Å; Y280-E283 WeakPolarHBondContact O-CB 3.46Å; Y280-E283 PolarHBondContact O-N 3.07Å; Y280-R284 HydrophobicContact CD1-CG 4.1Å; Y280-R284 HydrophobicContact CE1-CG 3.76Å; Y280-R284 VanDerWaalsContact CZ-NE 3.29Å; Y280-R284 WeakPolarHBondContact O-CG 3.17Å; Y280-R284 PolarHBondContact O-N 3.39Å; Y280-R284 VanDerWaalsContact OH-CZ 3.31Å; Y280-R284 PolarHBondContact OH-NE 2.91Å; Y280-R284 PolarHBondContact OH-NH2 3.41Å
281	L	92.4	Very high	91.5	Very high	96 Å²	96	68.6 Å²	68.6	50%	0.503	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-46.7	175.2	-179.9	62.7	0	0	0	111.2	M277 F278 E283 R284 L285	M277-L281 WeakPolarHBondContact O-CB 3.47Å; M277-L281 PolarHBondContact O-N 2.91Å; F278-L281 WeakPolarHBondContact O-CB 3.22Å; F278-L281 PolarHBondContact O-N 3.25Å; L281-E283 VanDerWaalsContact C-N 3.29Å; L281-E283 PolarHBondContact O-N 2.6Å; L281-R284 PolarHBondContact O-N 3.38Å; L281-R284 VanDerWaalsContact O-N 3.15Å; L281-L285 HydrophobicContact CG-CD1 4.31Å; L281-L285 WeakPolarHBondContact O-CG 3.32Å; L281-L285 PolarHBondContact O-N 3.24Å
282	C	93	Very high	91.3	Very high	47 Å²	47	69.1 Å²	69.1	32%	0.318	34%	0.338	S	S	.	.	H	α-helix	trans	-57.6	-42.5	173.8	-69.7	0	0	0	0	111.7	F278 L279 R284 L285 V286	F278-C282 PolarHBondContact O-N 3.05Å; F278-C282 PolarHBondContact O-SG 3.1Å; F278-C282 VanDerWaalsContact O-SG 3.4Å; L279-C282 PolarHBondContact O-N 3.33Å; C282-R284 VanDerWaalsContact C-N 3.33Å; C282-R284 PolarHBondContact O-N 2.87Å; C282-L285 PolarHBondContact O-N 3.07Å; C282-V286 WeakPolarHBondContact O-CG2 3.47Å; C282-V286 PolarHBondContact O-N 3.48Å
283	E	91.7	Very high	91.1	Very high	10 Å²	10	69.2 Å²	69.2	5%	0.047	34%	0.34	C	S	.	.	H	α-helix	trans	-58.6	-43.7	175.5	-173.1	-95.1	-169.7	0	0	112.2	C72 R73 N74 L279 Y280 L281 V286 R287	C72-E283 HydrophobicContact CB-CG 4.13Å; R73-E283 PolarHBondContact N-OE1 3.37Å; N74-E283 HydrophobicContact CB-CG 4.21Å; L279-E283 WeakPolarHBondContact O-CB 3.39Å; L279-E283 PolarHBondContact O-N 3.06Å; Y280-E283 WeakPolarHBondContact O-CB 3.46Å; Y280-E283 PolarHBondContact O-N 3.07Å; L281-E283 VanDerWaalsContact C-N 3.29Å; L281-E283 PolarHBondContact O-N 2.6Å; E283-V286 PolarHBondContact O-N 3.05Å; E283-R287 WeakPolarHBondContact O-CG 3.03Å; E283-R287 PolarHBondContact O-N 3.2Å; E283-R287 IonicContact OE1-CZ 2.72Å; E283-R287 IonicContact OE1-NE 3.62Å; E283-R287 PolarHBondContact OE1-NE 3.42Å; E283-R287 IonicContact OE1-NH2 2.62Å; E283-R287 PolarHBondContact OE1-NH2 3.04Å; E283-R287 IonicContact OE2-NE 3.71Å; E283-R287 PolarHBondContact OE2-NE 3.43Å
284	R	91.2	Very high	91.1	Very high	102 Å²	102	77.3 Å²	77.3	39%	0.385	38%	0.376	S	S	.	.	H	α-helix	trans	-67.9	-39.5	177.2	-69.2	-59	-168.3	168.9	6.3	112.7	Y280 L281 C282 R287 F288	Y280-R284 HydrophobicContact CD1-CG 4.1Å; Y280-R284 HydrophobicContact CE1-CG 3.76Å; Y280-R284 VanDerWaalsContact CZ-NE 3.29Å; Y280-R284 WeakPolarHBondContact O-CG 3.17Å; Y280-R284 PolarHBondContact O-N 3.39Å; Y280-R284 VanDerWaalsContact OH-CZ 3.31Å; Y280-R284 PolarHBondContact OH-NE 2.91Å; Y280-R284 PolarHBondContact OH-NH2 3.41Å; L281-R284 PolarHBondContact O-N 3.38Å; L281-R284 VanDerWaalsContact O-N 3.15Å; C282-R284 VanDerWaalsContact C-N 3.33Å; C282-R284 PolarHBondContact O-N 2.87Å; R284-R287 PolarHBondContact O-N 3.27Å; R284-F288 WeakPolarHBondContact O-CB 3.32Å; R284-F288 PolarHBondContact O-N 3.38Å
285	L	92.4	Very high	91.1	Very high	103 Å²	103	74 Å²	74	54%	0.539	36%	0.356	S	S	.	.	H	α-helix	trans	-62.7	-42.5	176	-70.7	173	0	0	0	111.7	L281 C282 R287 F288 W289	L281-L285 HydrophobicContact CG-CD1 4.31Å; L281-L285 WeakPolarHBondContact O-CG 3.32Å; L281-L285 PolarHBondContact O-N 3.24Å; C282-L285 PolarHBondContact O-N 3.07Å; L285-R287 PolarHBondContact O-N 3.47Å; L285-F288 PolarHBondContact O-N 3.36Å; L285-W289 PolarHBondContact O-N 3.24Å
286	V	90.6	Very high	91.1	Very high	66 Å²	66	75.6 Å²	75.6	40%	0.4	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-44.3	175.6	170.9	0	0	0	0	111.3	C282 E283 W289 R290	C282-V286 WeakPolarHBondContact O-CG2 3.47Å; C282-V286 PolarHBondContact O-N 3.48Å; E283-V286 PolarHBondContact O-N 3.05Å; V286-W289 PolarHBondContact O-N 3.21Å; V286-R290 WeakPolarHBondContact O-CG 3.37Å; V286-R290 PolarHBondContact O-N 3.42Å
287	R	89.7	Confident	91.1	Very high	27 Å²	27	75.5 Å²	75.5	10%	0.102	36%	0.356	C	S	.	.	H	α-helix	trans	-62.5	-44.3	175.9	-69.1	178.6	-178.2	-115.1	16.9	112	E283 R284 L285 W289 R290 S291 D388	E283-R287 WeakPolarHBondContact O-CG 3.03Å; E283-R287 PolarHBondContact O-N 3.2Å; E283-R287 IonicContact OE1-CZ 2.72Å; E283-R287 IonicContact OE1-NE 3.62Å; E283-R287 PolarHBondContact OE1-NE 3.42Å; E283-R287 IonicContact OE1-NH2 2.62Å; E283-R287 PolarHBondContact OE1-NH2 3.04Å; E283-R287 IonicContact OE2-NE 3.71Å; E283-R287 PolarHBondContact OE2-NE 3.43Å; R284-R287 PolarHBondContact O-N 3.27Å; L285-R287 PolarHBondContact O-N 3.47Å; R287-W289 PolarHBondContact O-N 3.33Å; R287-R290 PolarHBondContact O-N 2.92Å; R287-S291 WeakPolarHBondContact O-CB 3.31Å; R287-S291 PolarHBondContact O-N 3.37Å; R287-D388 WeakPolarHBondContact CG-OD2 3.29Å; R287-D388 IonicContact CZ-OD2 2.71Å; R287-D388 IonicContact NE-OD2 3.87Å; R287-D388 IonicContact NH1-OD2 3.77Å; R287-D388 PolarHBondContact NH1-OD2 3.28Å
288	F	89.8	Confident	91	Very high	130 Å²	130	75.2 Å²	75.2	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-58.7	-49.2	177.2	-179.8	-100.2	0	0	0	110.6	R284 L285 R290 S291 Q292	R284-F288 WeakPolarHBondContact O-CB 3.32Å; R284-F288 PolarHBondContact O-N 3.38Å; L285-F288 PolarHBondContact O-N 3.36Å; F288-R290 PolarHBondContact O-N 3.05Å; F288-S291 WeakPolarHBondContact O-CB 3.43Å; F288-S291 PolarHBondContact O-N 3.48Å; F288-S291 VanDerWaalsContact O-N 3.13Å; F288-S291 PolarHBondContact O-OG 2.9Å; F288-Q292 HydrophobicContact CE1-CG 4.34Å; F288-Q292 HydrophobicContact CZ-CG 4.38Å; F288-Q292 WeakPolarHBondContact O-CG 3.4Å; F288-Q292 PolarHBondContact O-N 3.39Å
289	W	90.1	Very high	90.9	Very high	175 Å²	175	74.8 Å²	74.8	66%	0.663	36%	0.357	S	S	*	.	H	α-helix	trans	-58.8	-46.1	177.2	-178	73.6	0	0	0	112.6	L285 V286 R287 S291 Q292	L285-W289 PolarHBondContact O-N 3.24Å; V286-W289 PolarHBondContact O-N 3.21Å; R287-W289 PolarHBondContact O-N 3.33Å; W289-S291 VanDerWaalsContact C-N 3.28Å; W289-S291 PolarHBondContact O-N 2.99Å; W289-Q292 PolarHBondContact O-N 2.97Å
290	R	88.1	Confident	90.7	Very high	38 Å²	38	72.9 Å²	72.9	14%	0.143	35%	0.348	C	S	.	.	H	α-helix	trans	-63.8	-31.5	176.1	-73.3	-170.3	-55.4	-158.9	-2.5	113.4	N74 V286 R287 F288 Q292 Q293 K314 D388	N74-R290 PolarHBondContact ND2-NH2 3.33Å; N74-R290 PolarHBondContact OD1-NH1 2.92Å; N74-R290 PolarHBondContact OD1-NH2 2.72Å; V286-R290 WeakPolarHBondContact O-CG 3.37Å; V286-R290 PolarHBondContact O-N 3.42Å; R287-R290 PolarHBondContact O-N 2.92Å; F288-R290 PolarHBondContact O-N 3.05Å; R290-Q292 VanDerWaalsContact C-N 3.27Å; R290-Q292 PolarHBondContact O-N 3.24Å; R290-Q293 WeakPolarHBondContact O-CB 3.26Å; R290-Q293 PolarHBondContact O-N 2.81Å; R290-K314 PolarHBondContact O-NZ 3.35Å; R290-D388 IonicContact CZ-OD1 3.78Å; R290-D388 IonicContact NE-OD1 3.27Å; R290-D388 PolarHBondContact NE-OD1 3.3Å; R290-D388 VanDerWaalsContact NE-OD1 3.16Å; R290-D388 IonicContact NH2-OD1 3.88Å; R290-D388 PolarHBondContact NH2-OD1 2.95Å
291	S	86.8	Confident	90.5	Very high	16 Å²	16	73 Å²	73	11%	0.112	35%	0.352	C	S	.	.	H	α-helix	trans	-69.7	-23	178.7	77.2	0	0	0	0	113.5	R287 F288 W289 Q293	R287-S291 WeakPolarHBondContact O-CB 3.31Å; R287-S291 PolarHBondContact O-N 3.37Å; F288-S291 WeakPolarHBondContact O-CB 3.43Å; F288-S291 PolarHBondContact O-N 3.48Å; F288-S291 VanDerWaalsContact O-N 3.13Å; F288-S291 PolarHBondContact O-OG 2.9Å; W289-S291 VanDerWaalsContact C-N 3.28Å; W289-S291 PolarHBondContact O-N 2.99Å; S291-Q293 VanDerWaalsContact C-N 3.34Å
292	Q	88.7	Confident	90.1	Very high	128 Å²	128	72.3 Å²	72.3	60%	0.598	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-10.3	177.3	-60.1	-57.3	-38.5	0	0	112.9	F288 W289 R290	F288-Q292 HydrophobicContact CE1-CG 4.34Å; F288-Q292 HydrophobicContact CZ-CG 4.38Å; F288-Q292 WeakPolarHBondContact O-CG 3.4Å; F288-Q292 PolarHBondContact O-N 3.39Å; W289-Q292 PolarHBondContact O-N 2.97Å; R290-Q292 VanDerWaalsContact C-N 3.27Å; R290-Q292 PolarHBondContact O-N 3.24Å
293	Q	90.5	Very high	89.6	Confident	59 Å²	59	72.1 Å²	72.1	28%	0.276	35%	0.346	S	S	.	.	S	Bend	trans	-71.2	132	178.8	-66.2	176.4	-32.6	0	0	110.6	R290 S291 V295	R290-Q293 WeakPolarHBondContact O-CB 3.26Å; R290-Q293 PolarHBondContact O-N 2.81Å; S291-Q293 VanDerWaalsContact C-N 3.34Å; Q293-V295 PolarHBondContact O-N 3.18Å
294	K	91.7	Very high	88.7	Confident	175 Å²	175	74.4 Å²	74.4	76%	0.761	36%	0.362	S	S	*	.			trans	-64.2	127.9	-179.6	-171.8	178.5	-180	-177.7	0	111
295	V	93.7	Very high	87.9	Confident	16 Å²	16	72.2 Å²	72.2	10%	0.097	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.4	170.3	-175.9	0	0	0	0	108.1	Q293 M312 K314 F351 I385 V387	Q293-V295 PolarHBondContact O-N 3.18Å; V295-M312 HydrophobicContact CG1-CB 3.93Å; V295-M312 HydrophobicContact CG1-CG 4.14Å; V295-M312 HydrophobicContact CG1-SD 4.01Å; V295-K314 HydrophobicContact CG2-CB 4.35Å; V295-K314 HydrophobicContact CG2-CD 4.03Å; V295-K314 HydrophobicContact CG2-CG 4.22Å; V295-F351 HydrophobicContact CG1-CZ 4.03Å; V295-I385 WeakPolarHBondContact CB-O 3.46Å; V295-V387 HydrophobicContact CG1-CG2 4.15Å; V295-V387 HydrophobicContact CG2-CB 4.02Å; V295-V387 HydrophobicContact CG2-CG2 3.91Å
296	V	91.7	Very high	87.4	Confident	71 Å²	71	74.8 Å²	74.8	43%	0.43	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.2	177.9	-179.4	0	0	0	0	108.1	M312 K313	V296-M312 CarbonylContact O-C 3.53Å; V296-M312 VanDerWaalsContact O-CA 3.26Å; V296-M312 WeakPolarHBondContact O-CA 3.25Å; V296-K313 PolarHBondContact N-O 2.69Å; V296-K313 PolarHBondContact O-N 3.42Å
297	I	92.3	Very high	87.1	Confident	12 Å²	12	71.8 Å²	71.8	6%	0.062	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	122.2	169.2	-59.1	166.3	0	0	0	107.1	V300 Q311 M312 L382 P383 I385	I297-V300 HydrophobicContact CG2-CG2 3.82Å; I297-Q311 CarbonylContact C-O 3.59Å; I297-Q311 WeakPolarHBondContact CA-O 3.29Å; I297-M312 HydrophobicContact CG1-CG 4.19Å; I297-L382 HydrophobicContact CB-CD1 3.93Å; I297-L382 HydrophobicContact CD1-CB 4.14Å; I297-L382 HydrophobicContact CG2-CD1 3.79Å; I297-P383 HydrophobicContact CD1-CG 4.44Å; I297-P383 WeakPolarHBondContact CD1-O 3.35Å; I297-I385 HydrophobicContact CD1-CG1 3.79Å; I297-I385 HydrophobicContact CG1-CG1 4.27Å
298	T	89.9	Confident	87.1	Confident	69 Å²	69	70.5 Å²	70.5	42%	0.423	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-37.8	179.4	51.6	0	0	0	0	112.1	Q311 K313	T298-Q311 PolarHBondContact N-O 2.99Å; T298-Q311 WeakPolarHBondContact OG1-CB 3.37Å; T298-Q311 PolarHBondContact OG1-O 3.29Å; T298-Q311 VanDerWaalsContact OG1-O 3.13Å; T298-K313 HydrophobicContact CG2-CB 4.38Å; T298-K313 HydrophobicContact CG2-CD 4.05Å; T298-K313 HydrophobicContact CG2-CG 3.83Å
299	K	89.4	Confident	87.1	Confident	118 Å²	118	65.1 Å²	65.1	51%	0.513	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	143.8	-177.3	-164	-179.3	-177.6	-174.3	0	110.8	V301 Q311	K299-V301 HydrophobicContact CD-CG2 3.73Å; K299-V301 VanDerWaalsContact CE-CG2 3.5Å; K299-V301 HydrophobicContact CG-CG2 3.87Å; K299-Q311 HydrophobicContact CB-CB 4.05Å; K299-Q311 HydrophobicContact CB-CG 4.25Å; K299-Q311 PolarHBondContact N-O 3.09Å; K299-Q311 PolarHBondContact O-N 3.26Å
300	V	89.6	Confident	87.3	Confident	42 Å²	42	56.9 Å²	56.9	26%	0.255	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.2	171.2	-177	0	0	0	0	109	I297 L310 C369 L382	I297-V300 HydrophobicContact CG2-CG2 3.82Å; V300-L310 HydrophobicContact CB-CD2 4.33Å; V300-L310 HydrophobicContact CG1-CD2 3.92Å; V300-L310 HydrophobicContact CG2-CD2 3.78Å; V300-C369 HydrophobicContact CG1-CB 4.43Å; V300-L382 HydrophobicContact CG2-CD1 4.41Å; V300-L382 HydrophobicContact CG2-CD2 4.13Å
301	V	86.6	Confident	87.6	Confident	34 Å²	34	56.4 Å²	56.4	21%	0.206	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	109	170.7	-133.1	0	0	0	0	116	K299 I308 E309	K299-V301 HydrophobicContact CD-CG2 3.73Å; K299-V301 VanDerWaalsContact CE-CG2 3.5Å; K299-V301 HydrophobicContact CG-CG2 3.87Å; V301-I308 CarbonylContact O-C 3.54Å; V301-I308 WeakPolarHBondContact O-CA 3.31Å; V301-E309 WeakPolarHBondContact CA-O 3.28Å; V301-E309 HydrophobicContact CB-CB 4.27Å; V301-E309 PolarHBondContact N-O 3.19Å; V301-E309 PolarHBondContact O-N 3.4Å
302	T	85.3	Confident	88	Confident	81 Å²	81	55.6 Å²	55.6	50%	0.497	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	120.4	164.1	53.1	0	0	0	0	109.6	I308 F366 C371	T302-I308 HydrophobicContact CG2-CG2 4.33Å; T302-F366 HydrophobicContact CG2-CE2 4.4Å; T302-C371 HydrophobicContact CG2-CB 3.86Å
303	H	81.3	Confident	88.2	Confident	42 Å²	42	54 Å²	54	19%	0.194	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	154.6	177.2	-69.5	-73.1	0	0	0	110.6	T307 E309 H354 W453	H303-T307 WeakPolarHBondContact CA-O 3.23Å; H303-T307 WeakPolarHBondContact CB-O 3.47Å; H303-T307 PolarHBondContact N-O 3Å; H303-E309 IonicContact NE2-OE2 3.83Å; H303-E309 PolarHBondContact NE2-OE2 3.33Å; H303-H354 AromaticContact CD2-CD2 3.94Å; H303-H354 AromaticContact CD2-NE2 3.97Å; H303-H354 AromaticContact NE2-NE2 3.57Å; H303-W453 HydrophobicContact CB-CB 4.16Å
304	P	74.3	Confident	88.3	Confident	58 Å²	58	52.2 Å²	52.2	38%	0.377	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	162.3	167.7	-26.3	36.5	0	0	0	112.1	K306 E452	P304-K306 PolarHBondContact O-N 3.16Å; P304-E452 WeakPolarHBondContact CB-OE2 3.35Å; P304-E452 HydrophobicContact CG-CB 4.36Å; P304-E452 WeakPolarHBondContact CG-OE2 3.45Å
305	F	74.5	Confident	88.3	Confident	57 Å²	57	53.4 Å²	53.4	25%	0.25	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.8	40.4	179.9	-160.9	-116.5	0	0	0	114.7	T307 R356 D447 H449 A450	F305-T307 VanDerWaalsContact C-N 3.3Å; F305-T307 PolarHBondContact O-N 2.96Å; F305-T307 PolarHBondContact O-OG1 3.37Å; F305-R356 VanDerWaalsContact CE1-CZ 3.41Å; F305-R356 VanDerWaalsContact CE1-NH2 3.29Å; F305-D447 HydrophobicContact CE2-CB 3.79Å; F305-D447 VanDerWaalsContact CE2-CG 3.44Å; F305-D447 WeakPolarHBondContact CE2-OD2 3.48Å; F305-D447 HydrophobicContact CZ-CB 3.83Å; F305-H449 HydrophobicContact CB-CB 4.09Å; F305-H449 HydrophobicContact CD2-CB 4.07Å; F305-H449 HydrophobicContact CG-CB 4.41Å; F305-A450 HydrophobicContact CD1-CB 3.84Å; F305-A450 HydrophobicContact CE1-CB 3.95Å; F305-A450 HydrophobicContact CG-CB 4.35Å
306	K	81.3	Confident	88	Confident	156 Å²	156	56.3 Å²	56.3	68%	0.678	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	46.4	174.1	-65.7	-169.8	176.7	-170.9	0	112.4	P304 I357	P304-K306 PolarHBondContact O-N 3.16Å; K306-I357 HydrophobicContact CB-CB 4.17Å; K306-I357 HydrophobicContact CB-CD1 4.08Å; K306-I357 HydrophobicContact CB-CG1 4.5Å; K306-I357 VanDerWaalsContact O-CG1 3.31Å; K306-I357 WeakPolarHBondContact O-CG1 3.45Å; K306-I357 PolarHBondContact O-N 3.01Å
307	T	84.9	Confident	87.9	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.018	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139	179.7	-60.3	0	0	0	0	109.8	H303 F305 H354 I355 I411	H303-T307 WeakPolarHBondContact CA-O 3.23Å; H303-T307 WeakPolarHBondContact CB-O 3.47Å; H303-T307 PolarHBondContact N-O 3Å; F305-T307 VanDerWaalsContact C-N 3.3Å; F305-T307 PolarHBondContact O-N 2.96Å; F305-T307 PolarHBondContact O-OG1 3.37Å; T307-H354 HydrophobicContact CG2-CB 4.27Å; T307-I355 CarbonylContact C-O 3.56Å; T307-I355 VanDerWaalsContact CA-O 3.32Å; T307-I355 WeakPolarHBondContact CA-O 3.07Å; T307-I411 HydrophobicContact CG2-CD1 4.35Å
308	I	89.1	Confident	87.7	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	142.5	172.5	60.2	173.9	0	0	0	111.5	V301 T302 L310 H354 I355 F366	V301-I308 CarbonylContact O-C 3.54Å; V301-I308 WeakPolarHBondContact O-CA 3.31Å; T302-I308 HydrophobicContact CG2-CG2 4.33Å; I308-L310 HydrophobicContact CD1-CD2 4.39Å; I308-L310 HydrophobicContact CD1-CG 4.39Å; I308-H354 CarbonylContact O-C 3.51Å; I308-H354 WeakPolarHBondContact O-CA 3.18Å; I308-I355 HydrophobicContact CG1-CB 3.88Å; I308-I355 PolarHBondContact N-O 2.95Å; I308-I355 PolarHBondContact O-N 3.11Å; I308-F366 HydrophobicContact CD1-CD2 4.45Å; I308-F366 HydrophobicContact CG2-CD2 3.35Å; I308-F366 HydrophobicContact CG2-CE2 3.42Å; I308-F366 VanDerWaalsContact CG2-CE2 3.42Å
309	E	90.5	Very high	87.7	Confident	18 Å²	18	60.3 Å²	60.3	8%	0.084	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.2	168	178.1	-172	177.8	0	0	109.4	V301 H303 Q311 S352 I353 H354	V301-E309 WeakPolarHBondContact CA-O 3.28Å; V301-E309 HydrophobicContact CB-CB 4.27Å; V301-E309 PolarHBondContact N-O 3.19Å; V301-E309 PolarHBondContact O-N 3.4Å; H303-E309 IonicContact NE2-OE2 3.83Å; H303-E309 PolarHBondContact NE2-OE2 3.33Å; E309-Q311 HydrophobicContact CG-CG 4.22Å; E309-Q311 WeakPolarHBondContact OE1-CG 3.44Å; E309-Q311 PolarHBondContact OE1-NE2 3.39Å; E309-S352 PolarHBondContact OE1-OG 3.15Å; E309-I353 WeakPolarHBondContact CA-O 3.42Å; E309-H354 VanDerWaalsContact CG-CE1 3.49Å; E309-H354 WeakPolarHBondContact CG-CE1 3.44Å; E309-H354 IonicContact OE1-CE1 2.85Å; E309-H354 IonicContact OE2-CE1 2.84Å; E309-H354 IonicContact OE2-NE2 3.9Å
310	L	93.3	Very high	87.7	Confident	1 Å²	1	59.8 Å²	59.8	1%	0.005	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	114.1	172.7	-63.6	179.9	0	0	0	109.3	V300 I308 M312 S352 I353 I355 L365	V300-L310 HydrophobicContact CB-CD2 4.33Å; V300-L310 HydrophobicContact CG1-CD2 3.92Å; V300-L310 HydrophobicContact CG2-CD2 3.78Å; I308-L310 HydrophobicContact CD1-CD2 4.39Å; I308-L310 HydrophobicContact CD1-CG 4.39Å; L310-M312 HydrophobicContact CB-CE 4.25Å; L310-S352 WeakPolarHBondContact O-CA 3.37Å; L310-S352 WeakPolarHBondContact O-CB 3.46Å; L310-I353 HydrophobicContact CB-CG1 4.02Å; L310-I353 HydrophobicContact CD1-CD1 4.5Å; L310-I353 PolarHBondContact N-O 2.99Å; L310-I353 PolarHBondContact O-N 3.4Å; L310-I353 VanDerWaalsContact O-N 3.15Å; L310-I355 HydrophobicContact CD1-CD1 3.82Å; L310-I355 HydrophobicContact CG-CD1 4.48Å; L310-L365 HydrophobicContact CD1-CD2 3.99Å
311	Q	94.1	Very high	87.6	Confident	28 Å²	28	57.9 Å²	57.9	13%	0.131	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.9	172.9	-58.5	-172.8	-10.4	0	0	109.7	I297 T298 K299 E309 F350	I297-Q311 CarbonylContact C-O 3.59Å; I297-Q311 WeakPolarHBondContact CA-O 3.29Å; T298-Q311 PolarHBondContact N-O 2.99Å; T298-Q311 WeakPolarHBondContact OG1-CB 3.37Å; T298-Q311 PolarHBondContact OG1-O 3.29Å; T298-Q311 VanDerWaalsContact OG1-O 3.13Å; K299-Q311 HydrophobicContact CB-CB 4.05Å; K299-Q311 HydrophobicContact CB-CG 4.25Å; K299-Q311 PolarHBondContact N-O 3.09Å; K299-Q311 PolarHBondContact O-N 3.26Å; E309-Q311 HydrophobicContact CG-CG 4.22Å; E309-Q311 WeakPolarHBondContact OE1-CG 3.44Å; E309-Q311 PolarHBondContact OE1-NE2 3.39Å; Q311-F350 HydrophobicContact CB-CD2 3.82Å; Q311-F350 HydrophobicContact CB-CE2 4.2Å; Q311-F350 HydrophobicContact CB-CG 4.43Å; Q311-F350 VanDerWaalsContact CD-CE2 3.45Å; Q311-F350 HydrophobicContact CG-CD2 3.85Å; Q311-F350 HydrophobicContact CG-CE2 3.7Å; Q311-F350 HydrophobicContact CG-CZ 4.48Å
312	M	94.9	Very high	87.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	154.6	-170.2	-67.9	174	-78.1	0	0	112	V295 V296 I297 L310 I325 F351 I353 I385 V387	V295-M312 HydrophobicContact CG1-CB 3.93Å; V295-M312 HydrophobicContact CG1-CG 4.14Å; V295-M312 HydrophobicContact CG1-SD 4.01Å; V296-M312 CarbonylContact O-C 3.53Å; V296-M312 VanDerWaalsContact O-CA 3.26Å; V296-M312 WeakPolarHBondContact O-CA 3.25Å; I297-M312 HydrophobicContact CG1-CG 4.19Å; L310-M312 HydrophobicContact CB-CE 4.25Å; M312-I325 HydrophobicContact CE-CD1 4.36Å; M312-F351 HydrophobicContact CB-CD1 4.46Å; M312-F351 HydrophobicContact CB-CD2 4.11Å; M312-F351 HydrophobicContact CB-CE1 3.97Å; M312-F351 HydrophobicContact CB-CE2 3.57Å; M312-F351 HydrophobicContact CB-CZ 3.49Å; M312-F351 VanDerWaalsContact CB-CZ 3.49Å; M312-F351 HydrophobicContact CE-CD2 4.06Å; M312-F351 HydrophobicContact CE-CE2 3.63Å; M312-F351 HydrophobicContact CG-CE2 4.39Å; M312-F351 PolarHBondContact N-O 3.46Å; M312-F351 VanDerWaalsContact O-CD1 3.26Å; M312-F351 WeakPolarHBondContact O-CD1 3.27Å; M312-F351 PolarHBondContact O-N 3.03Å; M312-F351 HydrophobicContact SD-CE2 4.02Å; M312-F351 HydrophobicContact SD-CZ 4.44Å; M312-I353 HydrophobicContact CE-CD1 3.78Å; M312-I353 HydrophobicContact CE-CG1 3.86Å; M312-I385 HydrophobicContact SD-CG2 4.17Å; M312-V387 HydrophobicContact SD-CG2 4.32Å
313	K	93.8	Very high	87.7	Confident	95 Å²	95	53.4 Å²	53.4	41%	0.413	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	140.6	170.8	-69.2	-168.9	-177.6	-158.9	0	111.3	V296 T298 D349 F350	V296-K313 PolarHBondContact N-O 2.69Å; V296-K313 PolarHBondContact O-N 3.42Å; T298-K313 HydrophobicContact CG2-CB 4.38Å; T298-K313 HydrophobicContact CG2-CD 4.05Å; T298-K313 HydrophobicContact CG2-CG 3.83Å; K313-D349 WeakPolarHBondContact CE-O 3.23Å; K313-D349 PolarHBondContact NZ-O 3.01Å; K313-F350 HydrophobicContact CG-CB 4.13Å
314	K	92.4	Very high	88.2	Confident	20 Å²	20	52.9 Å²	52.9	9%	0.087	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	130.3	-179.6	-178	-179.8	-173.9	-179	0	109.2	R290 V295 G316 F317 F351 V387	R290-K314 PolarHBondContact O-NZ 3.35Å; V295-K314 HydrophobicContact CG2-CB 4.35Å; V295-K314 HydrophobicContact CG2-CD 4.03Å; V295-K314 HydrophobicContact CG2-CG 4.22Å; K314-G316 PolarHBondContact O-N 3.48Å; K314-F317 HydrophobicContact CB-CB 3.78Å; K314-F317 HydrophobicContact CB-CG 4.33Å; K314-F317 HydrophobicContact CD-CB 4.26Å; K314-F317 HydrophobicContact CD-CD2 3.96Å; K314-F317 HydrophobicContact CD-CG 4.42Å; K314-F317 HydrophobicContact CG-CB 4.11Å; K314-F317 VanDerWaalsContact O-CB 3.31Å; K314-F317 WeakPolarHBondContact O-CB 3.34Å; K314-F317 PolarHBondContact O-N 3.4Å; K314-F351 HydrophobicContact CB-CE1 3.63Å; K314-F351 HydrophobicContact CB-CZ 4.05Å; K314-V387 PolarHBondContact NZ-O 3.01Å
315	K	90.8	Very high	89	Confident	201 Å²	201	50.1 Å²	50.1	87%	0.874	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	128.1	-177.5	-174.2	178.3	-179.7	178.6	0	110.7	F317	K315-F317 PolarHBondContact O-N 3.07Å
316	G	87.5	Confident	89.9	Confident	76 Å²	76	48.4 Å²	48.4	78%	0.784	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.7	12.6	178.1	0	0	0	0	0	114.5	K314	K314-G316 PolarHBondContact O-N 3.48Å
317	F	90	Very high	90.5	Very high	37 Å²	37	41 Å²	41	16%	0.162	20%	0.203	C	C	.	.			trans	-78.4	122.1	174.6	-172.8	-96.4	0	0	0	109.7	K314 K315 M319 I325 L342 F351 V387 P390	K314-F317 HydrophobicContact CB-CB 3.78Å; K314-F317 HydrophobicContact CB-CG 4.33Å; K314-F317 HydrophobicContact CD-CB 4.26Å; K314-F317 HydrophobicContact CD-CD2 3.96Å; K314-F317 HydrophobicContact CD-CG 4.42Å; K314-F317 HydrophobicContact CG-CB 4.11Å; K314-F317 VanDerWaalsContact O-CB 3.31Å; K314-F317 WeakPolarHBondContact O-CB 3.34Å; K314-F317 PolarHBondContact O-N 3.4Å; K315-F317 PolarHBondContact O-N 3.07Å; F317-M319 HydrophobicContact CE1-CB 3.95Å; F317-M319 HydrophobicContact CE1-CG 4.47Å; F317-M319 HydrophobicContact CE1-SD 4.25Å; F317-M319 HydrophobicContact CZ-CB 4.49Å; F317-I325 HydrophobicContact CE2-CG2 4.18Å; F317-I325 HydrophobicContact CZ-CG2 3.82Å; F317-L342 HydrophobicContact CE1-CD1 4.44Å; F317-L342 HydrophobicContact CZ-CD1 4.22Å; F317-F351 HydrophobicContact CD1-CB 4.23Å; F317-F351 AromaticContact CD1-CD1 3.42Å; F317-F351 HydrophobicContact CD1-CD1 3.42Å; F317-F351 VanDerWaalsContact CD1-CD1 3.42Å; F317-F351 AromaticContact CD1-CE1 3.85Å; F317-F351 HydrophobicContact CD1-CE1 3.85Å; F317-F351 AromaticContact CD1-CG 3.86Å; F317-F351 HydrophobicContact CD1-CG 3.86Å; F317-F351 HydrophobicContact CE1-CB 3.77Å; F317-F351 AromaticContact CE1-CD1 3.62Å; F317-F351 HydrophobicContact CE1-CD1 3.62Å; F317-F351 HydrophobicContact CE1-CD2 4.03Å; F317-F351 HydrophobicContact CE1-CE1 4.18Å; F317-F351 AromaticContact CE1-CG 3.53Å; F317-F351 HydrophobicContact CE1-CG 3.53Å; F317-F351 HydrophobicContact CG-CD1 4.17Å; F317-F351 HydrophobicContact CG-CE1 4.15Å; F317-F351 HydrophobicContact CZ-CD1 4.5Å; F317-F351 HydrophobicContact CZ-CD2 4.36Å; F317-F351 HydrophobicContact CZ-CG 4.3Å; F317-V387 HydrophobicContact CE2-CG1 4.31Å; F317-P390 HydrophobicContact CE2-CB 4.46Å; F317-P390 HydrophobicContact CE2-CG 4.39Å; F317-P390 HydrophobicContact CZ-CB 4.18Å; F317-P390 HydrophobicContact CZ-CG 4.35Å
318	K	88.8	Confident	90.9	Very high	182 Å²	182	42.7 Å²	42.7	79%	0.791	21%	0.21	S	C	*	.			trans	-124.2	135.1	174	-64.1	-174.3	178	-173.3	0	107.4	P390	K318-P390 VanDerWaalsContact O-CG 3.24Å; K318-P390 WeakPolarHBondContact O-CG 3.38Å
319	M	89.8	Confident	91.1	Very high	17 Å²	17	42.7 Å²	42.7	8%	0.084	21%	0.21	C	C	.	.			trans	-127.2	156.7	-179.3	67.7	-171.8	177.2	0	0	110.9	F317 L342 S344 A345 P346 F351	F317-M319 HydrophobicContact CE1-CB 3.95Å; F317-M319 HydrophobicContact CE1-CG 4.47Å; F317-M319 HydrophobicContact CE1-SD 4.25Å; F317-M319 HydrophobicContact CZ-CB 4.49Å; M319-L342 HydrophobicContact CB-CD1 3.66Å; M319-L342 HydrophobicContact CG-CD1 4.29Å; M319-L342 HydrophobicContact SD-CB 4.34Å; M319-L342 HydrophobicContact SD-CD1 3.82Å; M319-L342 HydrophobicContact SD-CD2 4.42Å; M319-L342 HydrophobicContact SD-CG 4.43Å; M319-S344 WeakPolarHBondContact CE-OG 3.48Å; M319-S344 PolarHBondContact SD-OG 2.85Å; M319-A345 VanDerWaalsContact CE-C 3.42Å; M319-A345 WeakPolarHBondContact CE-O 3.49Å; M319-P346 WeakPolarHBondContact O-CB 3.36Å; M319-P346 WeakPolarHBondContact O-CG 3.43Å; M319-F351 HydrophobicContact CE-CB 4.11Å; M319-F351 HydrophobicContact SD-CB 3.55Å; M319-F351 VanDerWaalsContact SD-CB 3.55Å
320	E	88.3	Confident	91.2	Very high	107 Å²	107	44.8 Å²	44.8	50%	0.5	23%	0.226	S	C	.	.			trans	-112.8	164.8	169.4	-65.1	-65.2	158.6	0	0	110.1	Q323 E396	E320-Q323 HydrophobicContact CB-CG 4Å; E320-Q323 WeakPolarHBondContact O-CB 3.43Å; E320-Q323 WeakPolarHBondContact O-CG 3.34Å; E320-Q323 PolarHBondContact O-N 3.23Å; E320-E396 HydrophobicContact CB-CG 4.39Å
321	V	88.4	Confident	91.1	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	138.8	-178	-65.8	0	0	0	0	112.5	Q323 P346 F399 I419	V321-Q323 PolarHBondContact O-N 2.84Å; V321-Q323 VanDerWaalsContact O-N 3.11Å; V321-P346 HydrophobicContact CG1-CG 3.91Å; V321-F399 HydrophobicContact CB-CE2 4.34Å; V321-F399 HydrophobicContact CG1-CE2 3.9Å; V321-F399 HydrophobicContact CG1-CZ 4.43Å; V321-F399 HydrophobicContact CG2-CD2 4.03Å; V321-F399 HydrophobicContact CG2-CE2 3.55Å; V321-I419 HydrophobicContact CB-CG1 3.98Å; V321-I419 HydrophobicContact CG2-CG1 4.18Å
322	G	84.6	Confident	90.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	4.5	175.4	0	0	0	0	0	115	T393	G322-T393 VanDerWaalsContact C-OG1 3.28Å; G322-T393 WeakPolarHBondContact O-CB 3.46Å; G322-T393 VanDerWaalsContact O-CG2 3.26Å; G322-T393 WeakPolarHBondContact O-CG2 3.33Å; G322-T393 PolarHBondContact O-OG1 3.14Å
323	Q	89.7	Confident	90.7	Very high	22 Å²	22	53.3 Å²	53.3	10%	0.103	27%	0.268	C	S	.	.			trans	-65.5	161.9	171.6	-71.2	-169.8	-34.6	0	0	111.6	E320 V321 L342 P390 F391 E396	E320-Q323 HydrophobicContact CB-CG 4Å; E320-Q323 WeakPolarHBondContact O-CB 3.43Å; E320-Q323 WeakPolarHBondContact O-CG 3.34Å; E320-Q323 PolarHBondContact O-N 3.23Å; V321-Q323 PolarHBondContact O-N 2.84Å; V321-Q323 VanDerWaalsContact O-N 3.11Å; Q323-L342 HydrophobicContact CB-CD1 4.08Å; Q323-L342 WeakPolarHBondContact O-CB 3.36Å; Q323-L342 PolarHBondContact O-N 2.64Å; Q323-P390 HydrophobicContact CB-CB 4.1Å; Q323-F391 WeakPolarHBondContact CA-O 3.46Å; Q323-F391 WeakPolarHBondContact CB-O 3.34Å; Q323-E396 HydrophobicContact CG-CG 4.11Å; Q323-E396 WeakPolarHBondContact CG-OE1 3.49Å; Q323-E396 PolarHBondContact NE2-OE1 2.85Å
324	Y	90.8	Very high	90.4	Very high	30 Å²	30	56.7 Å²	56.7	12%	0.118	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	161.3	176.5	73.6	-75.9	0	0	0	111.6	F326 P339 F340 F391 T393 F570	Y324-F326 HydrophobicContact CD2-CE2 4.25Å; Y324-F326 HydrophobicContact CE2-CD2 4.15Å; Y324-F326 AromaticContact CE2-CE2 3.47Å; Y324-F326 HydrophobicContact CE2-CE2 3.47Å; Y324-F326 VanDerWaalsContact CE2-CE2 3.47Å; Y324-F326 HydrophobicContact CE2-CZ 4.04Å; Y324-P339 HydrophobicContact CD2-CB 4.04Å; Y324-P339 HydrophobicContact CE2-CB 4.32Å; Y324-F340 CarbonylContact C-O 3.48Å; Y324-F340 WeakPolarHBondContact CA-O 3.2Å; Y324-F340 WeakPolarHBondContact CB-O 3.17Å; Y324-F391 HydrophobicContact CD1-CB 3.98Å; Y324-F391 WeakPolarHBondContact CD1-O 3.41Å; Y324-F391 HydrophobicContact CE1-CB 3.48Å; Y324-F391 VanDerWaalsContact CE1-CB 3.48Å; Y324-F391 HydrophobicContact CE2-CB 4.2Å; Y324-F391 HydrophobicContact CE2-CD2 4.26Å; Y324-F391 PolarHBondContact N-O 3.46Å; Y324-F391 PolarHBondContact O-N 3.09Å; Y324-T393 HydrophobicContact CD1-CG2 3.43Å; Y324-T393 VanDerWaalsContact CD1-CG2 3.43Å; Y324-T393 HydrophobicContact CE1-CG2 3.89Å; Y324-F570 HydrophobicContact CD1-CD1 4.31Å; Y324-F570 HydrophobicContact CD1-CE1 4.33Å; Y324-F570 HydrophobicContact CG-CD1 4.46Å
325	I	92.9	Very high	90	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	156.5	177.9	55.2	167.5	0	0	0	110.4	M312 F317 V327 P339 F340 L342 F351 I353 V387 D388 P390	M312-I325 HydrophobicContact CE-CD1 4.36Å; F317-I325 HydrophobicContact CE2-CG2 4.18Å; F317-I325 HydrophobicContact CZ-CG2 3.82Å; I325-V327 HydrophobicContact CD1-CG2 3.77Å; I325-V327 HydrophobicContact CG1-CG2 4.04Å; I325-P339 CarbonylContact O-C 3.43Å; I325-P339 WeakPolarHBondContact O-CA 3.29Å; I325-F340 PolarHBondContact N-O 3.26Å; I325-F340 PolarHBondContact O-N 3.34Å; I325-L342 HydrophobicContact CD1-CD2 3.91Å; I325-L342 HydrophobicContact CG1-CD2 3.96Å; I325-L342 HydrophobicContact CG2-CD1 4.1Å; I325-L342 HydrophobicContact CG2-CD2 4.02Å; I325-L342 HydrophobicContact CG2-CG 4.21Å; I325-F351 HydrophobicContact CD1-CD2 4.2Å; I325-F351 HydrophobicContact CD1-CE2 3.99Å; I325-I353 HydrophobicContact CD1-CG2 3.81Å; I325-I353 HydrophobicContact CG1-CG2 4.01Å; I325-V387 HydrophobicContact CB-CG1 4Å; I325-V387 HydrophobicContact CD1-CG1 3.79Å; I325-V387 HydrophobicContact CD1-CG2 4.3Å; I325-V387 HydrophobicContact CG1-CG1 4.5Å; I325-V387 HydrophobicContact CG2-CG1 4.01Å; I325-D388 WeakPolarHBondContact CA-O 3.27Å; I325-P390 HydrophobicContact CG2-CB 4.34Å
326	F	93	Very high	89.9	Confident	22 Å²	22	52.9 Å²	52.9	10%	0.096	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.7	164.9	-76.4	-95.9	0	0	0	109.6	R73 Y324 W337 H338 P339 V387 D388 F391	R73-F326 VanDerWaalsContact NH1-CE2 3.33Å; Y324-F326 HydrophobicContact CD2-CE2 4.25Å; Y324-F326 HydrophobicContact CE2-CD2 4.15Å; Y324-F326 AromaticContact CE2-CE2 3.47Å; Y324-F326 HydrophobicContact CE2-CE2 3.47Å; Y324-F326 VanDerWaalsContact CE2-CE2 3.47Å; Y324-F326 HydrophobicContact CE2-CZ 4.04Å; F326-W337 HydrophobicContact CB-CB 4.35Å; F326-W337 HydrophobicContact CB-CE3 3.92Å; F326-W337 HydrophobicContact CD1-CB 4.05Å; F326-H338 WeakPolarHBondContact CA-O 3.17Å; F326-P339 HydrophobicContact CD1-CB 4.13Å; F326-P339 HydrophobicContact CE1-CB 3.79Å; F326-P339 HydrophobicContact CE1-CG 4.12Å; F326-P339 HydrophobicContact CE2-CB 4.49Å; F326-P339 HydrophobicContact CZ-CB 3.98Å; F326-V387 WeakPolarHBondContact O-CA 3.36Å; F326-D388 HydrophobicContact CB-CB 4.22Å; F326-D388 PolarHBondContact N-O 3.36Å; F326-D388 PolarHBondContact O-N 2.97Å; F326-F391 AromaticContact CD2-CD2 3.79Å; F326-F391 HydrophobicContact CD2-CD2 3.79Å; F326-F391 AromaticContact CD2-CE2 3.55Å; F326-F391 HydrophobicContact CD2-CE2 3.55Å; F326-F391 HydrophobicContact CE2-CD2 4.06Å; F326-F391 HydrophobicContact CE2-CE2 4.07Å
327	V	93.8	Very high	90	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	133.5	-177.1	-178.1	0	0	0	0	109.1	I325 W337 H338 F340 I353 W361 I385 A386	I325-V327 HydrophobicContact CD1-CG2 3.77Å; I325-V327 HydrophobicContact CG1-CG2 4.04Å; V327-W337 WeakPolarHBondContact O-CA 3.29Å; V327-H338 PolarHBondContact N-O 3.06Å; V327-H338 PolarHBondContact O-N 3.25Å; V327-F340 HydrophobicContact CB-CD2 4.04Å; V327-F340 HydrophobicContact CB-CE2 4.32Å; V327-F340 HydrophobicContact CG2-CD2 3.9Å; V327-I353 HydrophobicContact CG2-CD1 3.72Å; V327-W361 HydrophobicContact CB-CH2 4.43Å; V327-W361 HydrophobicContact CG1-CH2 4.16Å; V327-I385 HydrophobicContact CG1-CG2 3.54Å; V327-A386 WeakPolarHBondContact CA-O 3.03Å
328	K	93.6	Very high	89.9	Confident	37 Å²	37	53 Å²	53	16%	0.161	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.5	170.3	173	176.9	71.4	169.3	0	110	K334 E336 W337 A386	K328-K334 WeakPolarHBondContact CD-O 3.07Å; K328-E336 WeakPolarHBondContact CB-O 3.45Å; K328-E336 VanDerWaalsContact CG-O 3.3Å; K328-E336 WeakPolarHBondContact CG-O 3.24Å; K328-W337 HydrophobicContact CB-CD2 3.6Å; K328-W337 HydrophobicContact CB-CE3 3.54Å; K328-W337 HydrophobicContact CB-CG 4.24Å; K328-W337 HydrophobicContact CB-CH2 3.97Å; K328-W337 HydrophobicContact CB-CZ2 4.01Å; K328-W337 HydrophobicContact CB-CZ3 3.74Å; K328-W337 HydrophobicContact CD-CD2 4.35Å; K328-W337 HydrophobicContact CD-CZ2 3.93Å; K328-W337 VanDerWaalsContact CE-CZ2 3.44Å; K328-A386 HydrophobicContact CB-CB 4.34Å; K328-A386 PolarHBondContact N-O 2.65Å; K328-A386 PolarHBondContact O-N 2.98Å
329	C	93.1	Very high	90.1	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.226	C	C	.	.			trans	-116.2	100.3	172.8	-176.2	0	0	0	0	109.6	K331 V332 S333 W361 L365 I385	C329-K331 PolarHBondContact O-N 2.83Å; C329-K331 VanDerWaalsContact O-N 3.07Å; C329-V332 HydrophobicContact CB-CB 4.33Å; C329-V332 HydrophobicContact CB-CG2 4.12Å; C329-V332 PolarHBondContact O-N 3.01Å; C329-S333 CarbonylContact C-O 3.42Å; C329-S333 PolarHBondContact O-N 3.38Å; C329-W361 HydrophobicContact CB-CZ2 4.14Å; C329-L365 HydrophobicContact CB-CD1 3.93Å; C329-I385 HydrophobicContact CB-CD1 3.66Å
330	P	91.7	Very high	90.1	Very high	63 Å²	63	47.3 Å²	47.3	41%	0.409	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-17.8	-178.7	-25.7	36.5	0	0	0	115.2	V332 S333 K384	P330-V332 VanDerWaalsContact C-N 3.33Å; P330-S333 WeakPolarHBondContact CA-O 3.31Å; P330-K384 WeakPolarHBondContact CD-O 3.46Å
331	K	90.4	Very high	90.3	Very high	139 Å²	139	42.8 Å²	42.8	60%	0.604	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-27.2	173.7	-172.6	175.6	173.2	-172.1	0	112.1	C329 A368 P383	C329-K331 PolarHBondContact O-N 2.83Å; C329-K331 VanDerWaalsContact O-N 3.07Å; K331-A368 HydrophobicContact CD-CB 4.01Å; K331-A368 HydrophobicContact CG-CB 4.46Å; K331-A368 PolarHBondContact NZ-O 3.5Å; K331-P383 HydrophobicContact CB-CB 4.36Å; K331-P383 HydrophobicContact CD-CB 4.15Å
332	V	90.4	Very high	90.5	Very high	48 Å²	48	42.7 Å²	42.7	29%	0.291	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-56.2	178	-179	0	0	0	0	110	C329 P330 W361 G364 L365 A368	C329-V332 HydrophobicContact CB-CB 4.33Å; C329-V332 HydrophobicContact CB-CG2 4.12Å; C329-V332 PolarHBondContact O-N 3.01Å; P330-V332 VanDerWaalsContact C-N 3.33Å; V332-W361 HydrophobicContact CG1-CG 4.09Å; V332-G364 VanDerWaalsContact CG2-C 3.41Å; V332-G364 WeakPolarHBondContact CG2-O 3.48Å; V332-L365 HydrophobicContact CG2-CB 4.46Å; V332-A368 HydrophobicContact CG2-CB 4.15Å
333	S	90.1	Very high	90.8	Very high	20 Å²	20	42.7 Å²	42.7	14%	0.14	21%	0.208	C	C	.	.			trans	-146.5	136.1	179.2	178	0	0	0	0	110.5	C329 P330 E336	C329-S333 CarbonylContact C-O 3.42Å; C329-S333 PolarHBondContact O-N 3.38Å; P330-S333 WeakPolarHBondContact CA-O 3.31Å; S333-E336 VanDerWaalsContact CB-OE1 3.29Å; S333-E336 WeakPolarHBondContact CB-OE1 3.15Å; S333-E336 VanDerWaalsContact OG-CD 3.25Å; S333-E336 WeakPolarHBondContact OG-CG 3.33Å; S333-E336 PolarHBondContact OG-N 3.31Å; S333-E336 PolarHBondContact OG-OE1 3.26Å
334	K	87.9	Confident	90.9	Very high	167 Å²	167	41.7 Å²	41.7	73%	0.726	20%	0.203	S	C	*	.	S	Bend	trans	-76.8	-23.4	-176.7	-68.1	-177.3	-178.5	175.8	0	113.1	K328	K328-K334 WeakPolarHBondContact CD-O 3.07Å
335	L	85.1	Confident	91	Very high	103 Å²	103	40.2 Å²	40.2	54%	0.539	20%	0.197	S	C	.	.	S	Bend	trans	-116.8	-28	-168.6	-61.9	179.6	0	0	0	113.6
336	E	87.3	Confident	90.9	Very high	37 Å²	37	42.2 Å²	42.2	17%	0.173	21%	0.21	C	C	.	.			trans	-74	142.1	-174.4	-73.6	161.5	-120	0	0	113.5	K328 S333 H338	K328-E336 WeakPolarHBondContact CB-O 3.45Å; K328-E336 VanDerWaalsContact CG-O 3.3Å; K328-E336 WeakPolarHBondContact CG-O 3.24Å; S333-E336 VanDerWaalsContact CB-OE1 3.29Å; S333-E336 WeakPolarHBondContact CB-OE1 3.15Å; S333-E336 VanDerWaalsContact OG-CD 3.25Å; S333-E336 WeakPolarHBondContact OG-CG 3.33Å; S333-E336 PolarHBondContact OG-N 3.31Å; S333-E336 PolarHBondContact OG-OE1 3.26Å; E336-H338 IonicContact OE2-CE1 2.64Å; E336-H338 IonicContact OE2-NE2 3.98Å; E336-H338 PolarHBondContact OE2-NE2 2.78Å
337	W	89.9	Confident	90.7	Very high	75 Å²	75	44.4 Å²	44.4	28%	0.284	22%	0.221	S	C	.	.			trans	-129.7	122	175.2	-70.5	87.2	0	0	0	108.9	F326 V327 K328 A386 D388	F326-W337 HydrophobicContact CB-CB 4.35Å; F326-W337 HydrophobicContact CB-CE3 3.92Å; F326-W337 HydrophobicContact CD1-CB 4.05Å; V327-W337 WeakPolarHBondContact O-CA 3.29Å; K328-W337 HydrophobicContact CB-CD2 3.6Å; K328-W337 HydrophobicContact CB-CE3 3.54Å; K328-W337 HydrophobicContact CB-CG 4.24Å; K328-W337 HydrophobicContact CB-CH2 3.97Å; K328-W337 HydrophobicContact CB-CZ2 4.01Å; K328-W337 HydrophobicContact CB-CZ3 3.74Å; K328-W337 HydrophobicContact CD-CD2 4.35Å; K328-W337 HydrophobicContact CD-CZ2 3.93Å; K328-W337 VanDerWaalsContact CE-CZ2 3.44Å; W337-A386 HydrophobicContact CH2-CB 3.69Å; W337-A386 HydrophobicContact CZ3-CB 4.16Å; W337-A386 WeakPolarHBondContact CZ3-O 3.37Å; W337-D388 HydrophobicContact CE3-CB 4.33Å; W337-D388 HydrophobicContact CH2-CB 4.35Å; W337-D388 HydrophobicContact CZ3-CB 3.88Å
338	H	89.4	Confident	90.6	Very high	42 Å²	42	45.7 Å²	45.7	19%	0.194	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	131.8	-176.4	-69.5	-91.5	0	0	0	110.7	F326 V327 E336 F340 W361	F326-H338 WeakPolarHBondContact CA-O 3.17Å; V327-H338 PolarHBondContact N-O 3.06Å; V327-H338 PolarHBondContact O-N 3.25Å; E336-H338 IonicContact OE2-CE1 2.64Å; E336-H338 IonicContact OE2-NE2 3.98Å; E336-H338 PolarHBondContact OE2-NE2 2.78Å; H338-F340 HydrophobicContact CB-CD2 4.49Å; H338-F340 HydrophobicContact CB-CE2 3.62Å; H338-F340 HydrophobicContact CB-CZ 3.99Å; H338-W361 HydrophobicContact CB-CD2 4.48Å; H338-W361 HydrophobicContact CB-CE3 4.17Å; H338-W361 HydrophobicContact CB-CH2 4.16Å; H338-W361 HydrophobicContact CB-CZ2 4.46Å; H338-W361 HydrophobicContact CB-CZ3 4.03Å; H338-W361 AromaticContact CD2-CD1 3.55Å; H338-W361 AromaticContact CD2-CD2 3.21Å; H338-W361 AromaticContact CD2-CE2 3.27Å; H338-W361 AromaticContact CD2-CE3 3.74Å; H338-W361 AromaticContact CD2-CG 3.42Å; H338-W361 VanDerWaalsContact CD2-CG 3.42Å; H338-W361 AromaticContact CD2-CZ2 3.84Å; H338-W361 AromaticContact CD2-NE1 3.46Å; H338-W361 PolarHBondContact CD2-NE1 2.81Å; H338-W361 AromaticContact CE1-CG 3.89Å; H338-W361 AromaticContact CG-CD2 3.81Å; H338-W361 AromaticContact CG-CE3 3.85Å; H338-W361 AromaticContact NE2-CD1 3.3Å; H338-W361 VanDerWaalsContact NE2-CD1 3.3Å; H338-W361 AromaticContact NE2-CD2 3.52Å; H338-W361 AromaticContact NE2-CE2 3.88Å; H338-W361 AromaticContact NE2-CG 3.15Å; H338-W361 AromaticContact NE2-NE1 3.72Å
339	P	91	Very high	90.4	Very high	48 Å²	48	50.8 Å²	50.8	31%	0.312	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	134.9	-179.8	31.4	-32.3	0	0	0	111.7	Y324 I325 F326	Y324-P339 HydrophobicContact CD2-CB 4.04Å; Y324-P339 HydrophobicContact CE2-CB 4.32Å; I325-P339 CarbonylContact O-C 3.43Å; I325-P339 WeakPolarHBondContact O-CA 3.29Å; F326-P339 HydrophobicContact CD1-CB 4.13Å; F326-P339 HydrophobicContact CE1-CB 3.79Å; F326-P339 HydrophobicContact CE1-CG 4.12Å; F326-P339 HydrophobicContact CE2-CB 4.49Å; F326-P339 HydrophobicContact CZ-CB 3.98Å
340	F	91.8	Very high	90.5	Very high	30 Å²	30	53 Å²	53	13%	0.132	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	136.3	173.4	-63.5	-73.8	0	0	0	111.2	Y324 I325 V327 H338 I353 I355 W361 T362	Y324-F340 CarbonylContact C-O 3.48Å; Y324-F340 WeakPolarHBondContact CA-O 3.2Å; Y324-F340 WeakPolarHBondContact CB-O 3.17Å; I325-F340 PolarHBondContact N-O 3.26Å; I325-F340 PolarHBondContact O-N 3.34Å; V327-F340 HydrophobicContact CB-CD2 4.04Å; V327-F340 HydrophobicContact CB-CE2 4.32Å; V327-F340 HydrophobicContact CG2-CD2 3.9Å; H338-F340 HydrophobicContact CB-CD2 4.49Å; H338-F340 HydrophobicContact CB-CE2 3.62Å; H338-F340 HydrophobicContact CB-CZ 3.99Å; F340-I353 HydrophobicContact CB-CB 4.01Å; F340-I353 HydrophobicContact CB-CD1 4.09Å; F340-I353 HydrophobicContact CB-CG2 3.95Å; F340-I353 HydrophobicContact CD2-CD1 4.1Å; F340-I353 HydrophobicContact CG-CD1 4.2Å; F340-I355 HydrophobicContact CD1-CG1 3.82Å; F340-I355 HydrophobicContact CD2-CD1 4.36Å; F340-I355 HydrophobicContact CD2-CG1 4.47Å; F340-I355 HydrophobicContact CE1-CB 4.13Å; F340-I355 HydrophobicContact CE1-CD1 4.31Å; F340-I355 HydrophobicContact CE1-CG1 3.78Å; F340-I355 HydrophobicContact CE1-CG2 3.68Å; F340-I355 HydrophobicContact CE2-CD1 4.12Å; F340-I355 HydrophobicContact CE2-CG1 4.42Å; F340-I355 HydrophobicContact CG-CG1 4.19Å; F340-I355 HydrophobicContact CZ-CD1 4.1Å; F340-I355 HydrophobicContact CZ-CG1 4.09Å; F340-I355 HydrophobicContact CZ-CG2 3.88Å; F340-W361 AromaticContact CE2-CH2 3.87Å; F340-W361 HydrophobicContact CE2-CH2 3.87Å; F340-W361 AromaticContact CE2-CZ3 3.56Å; F340-W361 HydrophobicContact CE2-CZ3 3.56Å; F340-W361 HydrophobicContact CZ-CE3 4.39Å; F340-W361 HydrophobicContact CZ-CH2 4.42Å; F340-W361 AromaticContact CZ-CZ3 3.65Å; F340-W361 HydrophobicContact CZ-CZ3 3.65Å; F340-T362 HydrophobicContact CZ-CG2 4.43Å
341	T	91.6	Very high	90.6	Very high	12 Å²	12	50.3 Å²	50.3	7%	0.074	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.8	175.9	-52.4	0	0	0	0	110.6	T343 P415 F570	T341-T343 PolarHBondContact O-N 2.73Å; T341-P415 HydrophobicContact CG2-CB 3.73Å; T341-P415 HydrophobicContact CG2-CG 4.36Å; T341-F570 WeakPolarHBondContact OG1-CE2 3.4Å
342	L	92.7	Very high	90.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-72	123.9	174	-64.4	169.8	0	0	0	109.1	F317 M319 Q323 I325 F351 S352 I353 P390 S418	F317-L342 HydrophobicContact CE1-CD1 4.44Å; F317-L342 HydrophobicContact CZ-CD1 4.22Å; M319-L342 HydrophobicContact CB-CD1 3.66Å; M319-L342 HydrophobicContact CG-CD1 4.29Å; M319-L342 HydrophobicContact SD-CB 4.34Å; M319-L342 HydrophobicContact SD-CD1 3.82Å; M319-L342 HydrophobicContact SD-CD2 4.42Å; M319-L342 HydrophobicContact SD-CG 4.43Å; Q323-L342 HydrophobicContact CB-CD1 4.08Å; Q323-L342 WeakPolarHBondContact O-CB 3.36Å; Q323-L342 PolarHBondContact O-N 2.64Å; I325-L342 HydrophobicContact CD1-CD2 3.91Å; I325-L342 HydrophobicContact CG1-CD2 3.96Å; I325-L342 HydrophobicContact CG2-CD1 4.1Å; I325-L342 HydrophobicContact CG2-CD2 4.02Å; I325-L342 HydrophobicContact CG2-CG 4.21Å; L342-F351 HydrophobicContact CD2-CB 4.17Å; L342-F351 HydrophobicContact CD2-CD2 3.96Å; L342-F351 HydrophobicContact CD2-CG 4.49Å; L342-S352 WeakPolarHBondContact CA-O 3.25Å; L342-I353 HydrophobicContact CD2-CG2 4.02Å; L342-P390 HydrophobicContact CD1-CB 4.17Å; L342-S418 WeakPolarHBondContact O-CB 3.32Å
343	T	91.4	Very high	90.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.006	21%	0.205	C	C	.	.			trans	-98.9	-20.9	-178.5	47.4	0	0	0	0	113	T341 S352 H354 T414 S418	T341-T343 PolarHBondContact O-N 2.73Å; T343-S352 PolarHBondContact N-O 3.43Å; T343-S352 VanDerWaalsContact OG1-C 3.31Å; T343-S352 PolarHBondContact OG1-O 3.18Å; T343-S352 VanDerWaalsContact OG1-O 3.07Å; T343-S352 PolarHBondContact OG1-OG 3.45Å; T343-H354 VanDerWaalsContact CB-ND1 3.33Å; T343-H354 WeakPolarHBondContact CB-ND1 3.33Å; T343-H354 HydrophobicContact CG2-CB 4.02Å; T343-H354 VanDerWaalsContact CG2-ND1 3.33Å; T343-H354 WeakPolarHBondContact CG2-ND1 3.33Å; T343-H354 PolarHBondContact OG1-CE1 2.9Å; T343-H354 PolarHBondContact OG1-ND1 3.37Å; T343-T414 HydrophobicContact CG2-CG2 3.8Å; T343-S418 WeakPolarHBondContact O-CA 3.19Å; T343-S418 PolarHBondContact O-N 3.31Å
344	S	91.9	Very high	91	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-70.6	153.4	172.5	48.2	0	0	0	0	112	M319 E348 F351 S352 S418	M319-S344 WeakPolarHBondContact CE-OG 3.48Å; M319-S344 PolarHBondContact SD-OG 2.85Å; S344-E348 WeakPolarHBondContact CA-OE2 3.41Å; S344-E348 WeakPolarHBondContact CB-OE2 3.39Å; S344-F351 VanDerWaalsContact OG-CA 3.25Å; S344-F351 WeakPolarHBondContact OG-CA 3.31Å; S344-S352 PolarHBondContact N-OG 2.85Å; S344-S352 PolarHBondContact OG-N 2.97Å; S344-S418 VanDerWaalsContact O-CB 3.3Å; S344-S418 WeakPolarHBondContact O-CB 3.44Å; S344-S418 PolarHBondContact O-OG 3.39Å
345	A	91.4	Very high	91.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.167	C	C	.	.			trans	-86.3	148	173.8	0	0	0	0	0	111.1	M319 E347 E348 K421 Y425	M319-A345 VanDerWaalsContact CE-C 3.42Å; M319-A345 WeakPolarHBondContact CE-O 3.49Å; A345-E347 VanDerWaalsContact CB-OE2 3.31Å; A345-E347 WeakPolarHBondContact CB-OE2 3.49Å; A345-E347 PolarHBondContact O-N 3.34Å; A345-E348 HydrophobicContact CB-CG 4.3Å; A345-E348 PolarHBondContact N-OE2 2.62Å; A345-E348 WeakPolarHBondContact O-CB 3.33Å; A345-E348 PolarHBondContact O-N 2.92Å; A345-K421 HydrophobicContact CB-CB 3.7Å; A345-Y425 HydrophobicContact CB-CD2 3.77Å; A345-Y425 HydrophobicContact CB-CE2 3.76Å
346	P	90.4	Very high	91.2	Very high	41 Å²	41	33 Å²	33	27%	0.266	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-25.6	175.8	-30	38	0	0	0	115	M319 V321 E348	M319-P346 WeakPolarHBondContact O-CB 3.36Å; M319-P346 WeakPolarHBondContact O-CG 3.43Å; V321-P346 HydrophobicContact CG1-CG 3.91Å; P346-E348 VanDerWaalsContact C-N 3.32Å
347	E	89.9	Confident	91.2	Very high	68 Å²	68	32.5 Å²	32.5	32%	0.318	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-10.9	179.5	-57.9	83.8	176.1	0	0	113.6	A345 S422 Y425 K426	A345-E347 VanDerWaalsContact CB-OE2 3.31Å; A345-E347 WeakPolarHBondContact CB-OE2 3.49Å; A345-E347 PolarHBondContact O-N 3.34Å; E347-S422 PolarHBondContact OE1-OG 3.06Å; E347-S422 WeakPolarHBondContact OE2-CA 3.23Å; E347-S422 WeakPolarHBondContact OE2-CB 3.31Å; E347-S422 PolarHBondContact OE2-OG 3.11Å; E347-Y425 HydrophobicContact CB-CD1 4.46Å; E347-Y425 HydrophobicContact CB-CD2 3.77Å; E347-Y425 HydrophobicContact CB-CE2 4.41Å; E347-Y425 HydrophobicContact CB-CG 3.81Å; E347-Y425 HydrophobicContact CG-CD2 4.33Å; E347-Y425 HydrophobicContact CG-CG 4.22Å; E347-K426 VanDerWaalsContact OE1-CE 3.29Å; E347-K426 WeakPolarHBondContact OE1-CE 3.31Å
348	E	90.6	Very high	91	Very high	29 Å²	29	34.3 Å²	34.3	14%	0.136	18%	0.176	C	C	.	.	S	Bend	trans	-84	145.8	177.5	-65.5	174.6	155	0	0	111.9	S344 A345 P346 F350 K421 Y425	S344-E348 WeakPolarHBondContact CA-OE2 3.41Å; S344-E348 WeakPolarHBondContact CB-OE2 3.39Å; A345-E348 HydrophobicContact CB-CG 4.3Å; A345-E348 PolarHBondContact N-OE2 2.62Å; A345-E348 WeakPolarHBondContact O-CB 3.33Å; A345-E348 PolarHBondContact O-N 2.92Å; P346-E348 VanDerWaalsContact C-N 3.32Å; E348-F350 HydrophobicContact CB-CE1 4.38Å; E348-F350 PolarHBondContact O-N 3.34Å; E348-F350 VanDerWaalsContact O-N 3.13Å; E348-K421 IonicContact OE1-NZ 2.69Å; E348-K421 PolarHBondContact OE1-NZ 3.19Å; E348-K421 VanDerWaalsContact OE1-NZ 3.08Å; E348-K421 IonicContact OE2-NZ 2.89Å; E348-Y425 HydrophobicContact CG-CE2 3.78Å; E348-Y425 WeakPolarHBondContact CG-OH 3.31Å; E348-Y425 PolarHBondContact OE1-OH 3.32Å
349	D	91.3	Very high	90.7	Very high	144 Å²	144	33.8 Å²	33.8	77%	0.77	18%	0.182	S	C	*	.	S	Bend	trans	-71.9	-3.4	-178.7	-75.8	-30.8	0	0	0	115	K313	K313-D349 WeakPolarHBondContact CE-O 3.23Å; K313-D349 PolarHBondContact NZ-O 3.01Å
350	F	93.6	Very high	90.6	Very high	47 Å²	47	37.8 Å²	37.8	21%	0.206	20%	0.201	C	C	.	.	S	Bend	trans	-134.5	159.9	179.7	63.5	-90.4	0	0	0	109.1	Q311 K313 E348	Q311-F350 HydrophobicContact CB-CD2 3.82Å; Q311-F350 HydrophobicContact CB-CE2 4.2Å; Q311-F350 HydrophobicContact CB-CG 4.43Å; Q311-F350 VanDerWaalsContact CD-CE2 3.45Å; Q311-F350 HydrophobicContact CG-CD2 3.85Å; Q311-F350 HydrophobicContact CG-CE2 3.7Å; Q311-F350 HydrophobicContact CG-CZ 4.48Å; K313-F350 HydrophobicContact CG-CB 4.13Å; E348-F350 HydrophobicContact CB-CE1 4.38Å; E348-F350 PolarHBondContact O-N 3.34Å; E348-F350 VanDerWaalsContact O-N 3.13Å
351	F	94.9	Very high	90.5	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.8	167.8	65.8	-87.3	0	0	0	109.9	V295 M312 K314 F317 M319 I325 L342 S344 V387	V295-F351 HydrophobicContact CG1-CZ 4.03Å; M312-F351 HydrophobicContact CB-CD1 4.46Å; M312-F351 HydrophobicContact CB-CD2 4.11Å; M312-F351 HydrophobicContact CB-CE1 3.97Å; M312-F351 HydrophobicContact CB-CE2 3.57Å; M312-F351 HydrophobicContact CB-CZ 3.49Å; M312-F351 VanDerWaalsContact CB-CZ 3.49Å; M312-F351 HydrophobicContact CE-CD2 4.06Å; M312-F351 HydrophobicContact CE-CE2 3.63Å; M312-F351 HydrophobicContact CG-CE2 4.39Å; M312-F351 PolarHBondContact N-O 3.46Å; M312-F351 VanDerWaalsContact O-CD1 3.26Å; M312-F351 WeakPolarHBondContact O-CD1 3.27Å; M312-F351 PolarHBondContact O-N 3.03Å; M312-F351 HydrophobicContact SD-CE2 4.02Å; M312-F351 HydrophobicContact SD-CZ 4.44Å; K314-F351 HydrophobicContact CB-CE1 3.63Å; K314-F351 HydrophobicContact CB-CZ 4.05Å; F317-F351 HydrophobicContact CD1-CB 4.23Å; F317-F351 AromaticContact CD1-CD1 3.42Å; F317-F351 HydrophobicContact CD1-CD1 3.42Å; F317-F351 VanDerWaalsContact CD1-CD1 3.42Å; F317-F351 AromaticContact CD1-CE1 3.85Å; F317-F351 HydrophobicContact CD1-CE1 3.85Å; F317-F351 AromaticContact CD1-CG 3.86Å; F317-F351 HydrophobicContact CD1-CG 3.86Å; F317-F351 HydrophobicContact CE1-CB 3.77Å; F317-F351 AromaticContact CE1-CD1 3.62Å; F317-F351 HydrophobicContact CE1-CD1 3.62Å; F317-F351 HydrophobicContact CE1-CD2 4.03Å; F317-F351 HydrophobicContact CE1-CE1 4.18Å; F317-F351 AromaticContact CE1-CG 3.53Å; F317-F351 HydrophobicContact CE1-CG 3.53Å; F317-F351 HydrophobicContact CG-CD1 4.17Å; F317-F351 HydrophobicContact CG-CE1 4.15Å; F317-F351 HydrophobicContact CZ-CD1 4.5Å; F317-F351 HydrophobicContact CZ-CD2 4.36Å; F317-F351 HydrophobicContact CZ-CG 4.3Å; M319-F351 HydrophobicContact CE-CB 4.11Å; M319-F351 HydrophobicContact SD-CB 3.55Å; M319-F351 VanDerWaalsContact SD-CB 3.55Å; I325-F351 HydrophobicContact CD1-CD2 4.2Å; I325-F351 HydrophobicContact CD1-CE2 3.99Å; L342-F351 HydrophobicContact CD2-CB 4.17Å; L342-F351 HydrophobicContact CD2-CD2 3.96Å; L342-F351 HydrophobicContact CD2-CG 4.49Å; S344-F351 VanDerWaalsContact OG-CA 3.25Å; S344-F351 WeakPolarHBondContact OG-CA 3.31Å; F351-V387 HydrophobicContact CE2-CG1 4.36Å; F351-V387 HydrophobicContact CE2-CG2 4.21Å; F351-V387 HydrophobicContact CZ-CG2 4.31Å
352	S	93.9	Very high	90.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	153.8	-179.2	75.1	0	0	0	0	113.1	E309 L310 L342 T343 S344	E309-S352 PolarHBondContact OE1-OG 3.15Å; L310-S352 WeakPolarHBondContact O-CA 3.37Å; L310-S352 WeakPolarHBondContact O-CB 3.46Å; L342-S352 WeakPolarHBondContact CA-O 3.25Å; T343-S352 PolarHBondContact N-O 3.43Å; T343-S352 VanDerWaalsContact OG1-C 3.31Å; T343-S352 PolarHBondContact OG1-O 3.18Å; T343-S352 VanDerWaalsContact OG1-O 3.07Å; T343-S352 PolarHBondContact OG1-OG 3.45Å; S344-S352 PolarHBondContact N-OG 2.85Å; S344-S352 PolarHBondContact OG-N 2.97Å
353	I	93.9	Very high	90.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.7	173.6	59.6	-178.5	0	0	0	109.3	E309 L310 M312 I325 V327 F340 L342 I355	E309-I353 WeakPolarHBondContact CA-O 3.42Å; L310-I353 HydrophobicContact CB-CG1 4.02Å; L310-I353 HydrophobicContact CD1-CD1 4.5Å; L310-I353 PolarHBondContact N-O 2.99Å; L310-I353 PolarHBondContact O-N 3.4Å; L310-I353 VanDerWaalsContact O-N 3.15Å; M312-I353 HydrophobicContact CE-CD1 3.78Å; M312-I353 HydrophobicContact CE-CG1 3.86Å; I325-I353 HydrophobicContact CD1-CG2 3.81Å; I325-I353 HydrophobicContact CG1-CG2 4.01Å; V327-I353 HydrophobicContact CG2-CD1 3.72Å; F340-I353 HydrophobicContact CB-CB 4.01Å; F340-I353 HydrophobicContact CB-CD1 4.09Å; F340-I353 HydrophobicContact CB-CG2 3.95Å; F340-I353 HydrophobicContact CD2-CD1 4.1Å; F340-I353 HydrophobicContact CG-CD1 4.2Å; L342-I353 HydrophobicContact CD2-CG2 4.02Å; I353-I355 HydrophobicContact CD1-CD1 3.77Å; I353-I355 HydrophobicContact CD1-CG1 4.13Å; I353-I355 HydrophobicContact CG1-CD1 4.18Å; I353-I355 HydrophobicContact CG1-CG1 4.15Å
354	H	90.3	Very high	90.4	Very high	15 Å²	15	43 Å²	43	7%	0.069	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.4	171.3	-71.9	61	0	0	0	109.5	H303 T307 I308 E309 T343 T414 W453	H303-H354 AromaticContact CD2-CD2 3.94Å; H303-H354 AromaticContact CD2-NE2 3.97Å; H303-H354 AromaticContact NE2-NE2 3.57Å; T307-H354 HydrophobicContact CG2-CB 4.27Å; I308-H354 CarbonylContact O-C 3.51Å; I308-H354 WeakPolarHBondContact O-CA 3.18Å; E309-H354 VanDerWaalsContact CG-CE1 3.49Å; E309-H354 WeakPolarHBondContact CG-CE1 3.44Å; E309-H354 IonicContact OE1-CE1 2.85Å; E309-H354 IonicContact OE2-CE1 2.84Å; E309-H354 IonicContact OE2-NE2 3.9Å; T343-H354 VanDerWaalsContact CB-ND1 3.33Å; T343-H354 WeakPolarHBondContact CB-ND1 3.33Å; T343-H354 HydrophobicContact CG2-CB 4.02Å; T343-H354 VanDerWaalsContact CG2-ND1 3.33Å; T343-H354 WeakPolarHBondContact CG2-ND1 3.33Å; T343-H354 PolarHBondContact OG1-CE1 2.9Å; T343-H354 PolarHBondContact OG1-ND1 3.37Å; H354-T414 HydrophobicContact CB-CG2 3.99Å; H354-W453 AromaticContact CD2-CE3 3.58Å; H354-W453 AromaticContact CD2-CZ3 3.64Å; H354-W453 AromaticContact NE2-CE3 3.5Å; H354-W453 AromaticContact NE2-CZ3 3.57Å
355	I	90.3	Very high	90.4	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	116.8	-174.2	-54.6	178.1	0	0	0	108.4	T307 I308 L310 F340 I353 T362 L365	T307-I355 CarbonylContact C-O 3.56Å; T307-I355 VanDerWaalsContact CA-O 3.32Å; T307-I355 WeakPolarHBondContact CA-O 3.07Å; I308-I355 HydrophobicContact CG1-CB 3.88Å; I308-I355 PolarHBondContact N-O 2.95Å; I308-I355 PolarHBondContact O-N 3.11Å; L310-I355 HydrophobicContact CD1-CD1 3.82Å; L310-I355 HydrophobicContact CG-CD1 4.48Å; F340-I355 HydrophobicContact CD1-CG1 3.82Å; F340-I355 HydrophobicContact CD2-CD1 4.36Å; F340-I355 HydrophobicContact CD2-CG1 4.47Å; F340-I355 HydrophobicContact CE1-CB 4.13Å; F340-I355 HydrophobicContact CE1-CD1 4.31Å; F340-I355 HydrophobicContact CE1-CG1 3.78Å; F340-I355 HydrophobicContact CE1-CG2 3.68Å; F340-I355 HydrophobicContact CE2-CD1 4.12Å; F340-I355 HydrophobicContact CE2-CG1 4.42Å; F340-I355 HydrophobicContact CG-CG1 4.19Å; F340-I355 HydrophobicContact CZ-CD1 4.1Å; F340-I355 HydrophobicContact CZ-CG1 4.09Å; F340-I355 HydrophobicContact CZ-CG2 3.88Å; I353-I355 HydrophobicContact CD1-CD1 3.77Å; I353-I355 HydrophobicContact CD1-CG1 4.13Å; I353-I355 HydrophobicContact CG1-CD1 4.18Å; I353-I355 HydrophobicContact CG1-CG1 4.15Å; I355-T362 HydrophobicContact CG2-CG2 3.79Å; I355-L365 HydrophobicContact CD1-CD2 3.46Å; I355-L365 VanDerWaalsContact CD1-CD2 3.46Å
356	R	87.8	Confident	90.4	Very high	98 Å²	98	44.8 Å²	44.8	37%	0.37	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.9	169.3	-169.2	-178.1	175.6	-169.2	-2.4	109.8	F305 V358 I411	F305-R356 VanDerWaalsContact CE1-CZ 3.41Å; F305-R356 VanDerWaalsContact CE1-NH2 3.29Å; R356-V358 HydrophobicContact CB-CG2 4.12Å; R356-V358 HydrophobicContact CG-CG2 3.67Å; R356-V358 PolarHBondContact O-N 2.93Å; R356-I411 HydrophobicContact CB-CD1 4.01Å; R356-I411 HydrophobicContact CB-CG1 4.15Å
357	I	88.1	Confident	90.3	Very high	26 Å²	26	46.3 Å²	46.3	13%	0.133	25%	0.246	C	C	.	.			trans	-82.2	106.8	179	-50.7	159.1	0	0	0	108.3	K306 E363 F366	K306-I357 HydrophobicContact CB-CB 4.17Å; K306-I357 HydrophobicContact CB-CD1 4.08Å; K306-I357 HydrophobicContact CB-CG1 4.5Å; K306-I357 VanDerWaalsContact O-CG1 3.31Å; K306-I357 WeakPolarHBondContact O-CG1 3.45Å; K306-I357 PolarHBondContact O-N 3.01Å; I357-E363 HydrophobicContact CG2-CB 4Å; I357-F366 HydrophobicContact CD1-CB 3.99Å; I357-F366 HydrophobicContact CD1-CD1 4.09Å; I357-F366 HydrophobicContact CD1-CD2 3.18Å; I357-F366 HydrophobicContact CD1-CE1 4.33Å; I357-F366 HydrophobicContact CD1-CE2 3.51Å; I357-F366 HydrophobicContact CD1-CG 3.5Å; I357-F366 HydrophobicContact CD1-CZ 4.09Å; I357-F366 HydrophobicContact CG1-CB 4.27Å; I357-F366 HydrophobicContact CG1-CD2 4.08Å; I357-F366 HydrophobicContact CG1-CG 4.3Å
358	V	84.2	Confident	90.3	Very high	114 Å²	114	43.5 Å²	43.5	69%	0.691	23%	0.234	S	C	*	.			trans	-134.7	-25.7	-175.7	-171.4	0	0	0	0	112.6	R356 T362	R356-V358 HydrophobicContact CB-CG2 4.12Å; R356-V358 HydrophobicContact CG-CG2 3.67Å; R356-V358 PolarHBondContact O-N 2.93Å; V358-T362 PolarHBondContact N-OG1 2.89Å
359	G	84.9	Confident	90.1	Very high	31 Å²	31	42.4 Å²	42.4	32%	0.32	23%	0.229	S	C	.	.	S	Bend	trans	-132.5	174.6	-179.3	0	0	0	0	0	113.4	W361 T362 E363	G359-W361 PolarHBondContact O-N 3.08Å; G359-T362 PolarHBondContact N-OG1 3.5Å; G359-T362 PolarHBondContact O-N 3.14Å; G359-T362 VanDerWaalsContact O-N 3.15Å; G359-T362 PolarHBondContact O-OG1 2.87Å; G359-E363 WeakPolarHBondContact O-CB 3.42Å; G359-E363 PolarHBondContact O-N 2.68Å
360	D	87.8	Confident	89.7	Confident	132 Å²	132	36 Å²	36	71%	0.706	20%	0.197	S	C	*	.	H	α-helix	trans	-51.3	-47.3	-179.6	58.9	-18.4	0	0	0	113.5	E363 G364	D360-E363 PolarHBondContact O-N 3.41Å; D360-G364 PolarHBondContact O-N 3.29Å
361	W	90.6	Very high	88.9	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.015	20%	0.195	C	C	.	.	H	α-helix	trans	-67.1	-42	179.2	-173.4	95.7	0	0	0	112.1	V327 C329 V332 H338 F340 G359 E363 G364 L365	V327-W361 HydrophobicContact CB-CH2 4.43Å; V327-W361 HydrophobicContact CG1-CH2 4.16Å; C329-W361 HydrophobicContact CB-CZ2 4.14Å; V332-W361 HydrophobicContact CG1-CG 4.09Å; H338-W361 HydrophobicContact CB-CD2 4.48Å; H338-W361 HydrophobicContact CB-CE3 4.17Å; H338-W361 HydrophobicContact CB-CH2 4.16Å; H338-W361 HydrophobicContact CB-CZ2 4.46Å; H338-W361 HydrophobicContact CB-CZ3 4.03Å; H338-W361 AromaticContact CD2-CD1 3.55Å; H338-W361 AromaticContact CD2-CD2 3.21Å; H338-W361 AromaticContact CD2-CE2 3.27Å; H338-W361 AromaticContact CD2-CE3 3.74Å; H338-W361 AromaticContact CD2-CG 3.42Å; H338-W361 VanDerWaalsContact CD2-CG 3.42Å; H338-W361 AromaticContact CD2-CZ2 3.84Å; H338-W361 AromaticContact CD2-NE1 3.46Å; H338-W361 PolarHBondContact CD2-NE1 2.81Å; H338-W361 AromaticContact CE1-CG 3.89Å; H338-W361 AromaticContact CG-CD2 3.81Å; H338-W361 AromaticContact CG-CE3 3.85Å; H338-W361 AromaticContact NE2-CD1 3.3Å; H338-W361 VanDerWaalsContact NE2-CD1 3.3Å; H338-W361 AromaticContact NE2-CD2 3.52Å; H338-W361 AromaticContact NE2-CE2 3.88Å; H338-W361 AromaticContact NE2-CG 3.15Å; H338-W361 AromaticContact NE2-NE1 3.72Å; F340-W361 AromaticContact CE2-CH2 3.87Å; F340-W361 HydrophobicContact CE2-CH2 3.87Å; F340-W361 AromaticContact CE2-CZ3 3.56Å; F340-W361 HydrophobicContact CE2-CZ3 3.56Å; F340-W361 HydrophobicContact CZ-CE3 4.39Å; F340-W361 HydrophobicContact CZ-CH2 4.42Å; F340-W361 AromaticContact CZ-CZ3 3.65Å; F340-W361 HydrophobicContact CZ-CZ3 3.65Å; G359-W361 PolarHBondContact O-N 3.08Å; W361-E363 VanDerWaalsContact C-N 3.34Å; W361-G364 PolarHBondContact O-N 3.45Å; W361-L365 HydrophobicContact CH2-CD2 3.69Å; W361-L365 HydrophobicContact CZ3-CB 4.35Å; W361-L365 HydrophobicContact CZ3-CD2 3.63Å; W361-L365 WeakPolarHBondContact O-CB 3.42Å; W361-L365 PolarHBondContact O-N 3.18Å
362	T	91.3	Very high	87.8	Confident	16 Å²	16	39.2 Å²	39.2	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-68.7	-34.5	179.8	52.8	0	0	0	0	112.2	F340 I355 V358 G359 L365 F366	F340-T362 HydrophobicContact CZ-CG2 4.43Å; I355-T362 HydrophobicContact CG2-CG2 3.79Å; V358-T362 PolarHBondContact N-OG1 2.89Å; G359-T362 PolarHBondContact N-OG1 3.5Å; G359-T362 PolarHBondContact O-N 3.14Å; G359-T362 VanDerWaalsContact O-N 3.15Å; G359-T362 PolarHBondContact O-OG1 2.87Å; T362-L365 PolarHBondContact O-N 3.49Å; T362-F366 PolarHBondContact O-N 3.33Å
363	E	90.9	Very high	86.6	Confident	110 Å²	110	45.7 Å²	45.7	51%	0.514	25%	0.247	S	C	.	.	H	α-helix	trans	-70.4	-44.6	173.6	-175.1	170.3	-156.8	0	0	110.9	I357 G359 D360 W361 L365 F366 N367	I357-E363 HydrophobicContact CG2-CB 4Å; G359-E363 WeakPolarHBondContact O-CB 3.42Å; G359-E363 PolarHBondContact O-N 2.68Å; D360-E363 PolarHBondContact O-N 3.41Å; W361-E363 VanDerWaalsContact C-N 3.34Å; E363-L365 VanDerWaalsContact C-N 3.25Å; E363-L365 PolarHBondContact O-N 3.06Å; E363-F366 WeakPolarHBondContact O-CB 3.23Å; E363-F366 PolarHBondContact O-N 3.08Å; E363-F366 VanDerWaalsContact O-N 3.12Å; E363-N367 VanDerWaalsContact O-CG 3.24Å; E363-N367 PolarHBondContact O-N 3.49Å; E363-N367 PolarHBondContact O-OD1 2.9Å; E363-N367 VanDerWaalsContact O-OD1 3.1Å
364	G	90.7	Very high	85	Confident	22 Å²	22	55.7 Å²	55.7	23%	0.227	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-38.9	172.7	0	0	0	0	0	112.7	V332 D360 W361 A368	V332-G364 VanDerWaalsContact CG2-C 3.41Å; V332-G364 WeakPolarHBondContact CG2-O 3.48Å; D360-G364 PolarHBondContact O-N 3.29Å; W361-G364 PolarHBondContact O-N 3.45Å; G364-A368 WeakPolarHBondContact O-CB 3.44Å; G364-A368 PolarHBondContact O-N 3.36Å
365	L	91.7	Very high	83.7	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-68.1	-42.3	175.5	-177.6	64.1	0	0	0	112.2	L310 C329 V332 I355 W361 T362 E363 N367 A368 C369 I385	L310-L365 HydrophobicContact CD1-CD2 3.99Å; C329-L365 HydrophobicContact CB-CD1 3.93Å; V332-L365 HydrophobicContact CG2-CB 4.46Å; I355-L365 HydrophobicContact CD1-CD2 3.46Å; I355-L365 VanDerWaalsContact CD1-CD2 3.46Å; W361-L365 HydrophobicContact CH2-CD2 3.69Å; W361-L365 HydrophobicContact CZ3-CB 4.35Å; W361-L365 HydrophobicContact CZ3-CD2 3.63Å; W361-L365 WeakPolarHBondContact O-CB 3.42Å; W361-L365 PolarHBondContact O-N 3.18Å; T362-L365 PolarHBondContact O-N 3.49Å; E363-L365 VanDerWaalsContact C-N 3.25Å; E363-L365 PolarHBondContact O-N 3.06Å; L365-N367 VanDerWaalsContact C-N 3.35Å; L365-N367 PolarHBondContact O-N 3.45Å; L365-A368 PolarHBondContact O-N 3.02Å; L365-C369 WeakPolarHBondContact O-CB 3.4Å; L365-C369 PolarHBondContact O-N 3.18Å; L365-C369 PolarHBondContact O-SG 2.67Å; L365-C369 VanDerWaalsContact O-SG 3.37Å; L365-I385 HydrophobicContact CD1-CD1 3.98Å
366	F	90.8	Very high	82.5	Confident	37 Å²	37	71.8 Å²	71.8	16%	0.162	37%	0.366	C	S	.	.	H	α-helix	trans	-55.1	-51.4	175.5	-174.6	-105.9	0	0	0	111.3	T302 I308 I357 T362 E363 A368 C369 G370 C371 D372	T302-F366 HydrophobicContact CG2-CE2 4.4Å; I308-F366 HydrophobicContact CD1-CD2 4.45Å; I308-F366 HydrophobicContact CG2-CD2 3.35Å; I308-F366 HydrophobicContact CG2-CE2 3.42Å; I308-F366 VanDerWaalsContact CG2-CE2 3.42Å; I357-F366 HydrophobicContact CD1-CB 3.99Å; I357-F366 HydrophobicContact CD1-CD1 4.09Å; I357-F366 HydrophobicContact CD1-CD2 3.18Å; I357-F366 HydrophobicContact CD1-CE1 4.33Å; I357-F366 HydrophobicContact CD1-CE2 3.51Å; I357-F366 HydrophobicContact CD1-CG 3.5Å; I357-F366 HydrophobicContact CD1-CZ 4.09Å; I357-F366 HydrophobicContact CG1-CB 4.27Å; I357-F366 HydrophobicContact CG1-CD2 4.08Å; I357-F366 HydrophobicContact CG1-CG 4.3Å; T362-F366 PolarHBondContact O-N 3.33Å; E363-F366 WeakPolarHBondContact O-CB 3.23Å; E363-F366 PolarHBondContact O-N 3.08Å; E363-F366 VanDerWaalsContact O-N 3.12Å; F366-A368 VanDerWaalsContact C-N 3.34Å; F366-A368 PolarHBondContact O-N 3.5Å; F366-C369 PolarHBondContact O-N 3.46Å; F366-G370 PolarHBondContact O-N 2.94Å; F366-C371 HydrophobicContact CD1-CB 4.08Å; F366-C371 HydrophobicContact CD2-CB 3.48Å; F366-C371 VanDerWaalsContact CD2-CB 3.48Å; F366-C371 HydrophobicContact CE1-CB 3.83Å; F366-C371 HydrophobicContact CE2-CB 3.19Å; F366-C371 HydrophobicContact CG-CB 3.93Å; F366-C371 HydrophobicContact CZ-CB 3.38Å; F366-C371 PolarHBondContact O-N 3.09Å; F366-D372 VanDerWaalsContact CD1-OD1 3.26Å; F366-D372 WeakPolarHBondContact CD1-OD1 3.45Å; F366-D372 WeakPolarHBondContact CE1-OD1 3.41Å
367	N	89.6	Confident	81.5	Confident	74 Å²	74	69.5 Å²	69.5	40%	0.396	36%	0.359	S	S	.	.	H	α-helix	trans	-67.8	-37.8	-179.7	-55.4	3	0	0	0	110.9	E363 L365 C369 G370 D372	E363-N367 VanDerWaalsContact O-CG 3.24Å; E363-N367 PolarHBondContact O-N 3.49Å; E363-N367 PolarHBondContact O-OD1 2.9Å; E363-N367 VanDerWaalsContact O-OD1 3.1Å; L365-N367 VanDerWaalsContact C-N 3.35Å; L365-N367 PolarHBondContact O-N 3.45Å; N367-C369 VanDerWaalsContact C-N 3.31Å; N367-C369 PolarHBondContact O-N 2.99Å; N367-G370 PolarHBondContact O-N 3.48Å; N367-D372 VanDerWaalsContact CA-OD2 3.31Å; N367-D372 WeakPolarHBondContact CA-OD2 3.4Å; N367-D372 WeakPolarHBondContact CB-OD2 3.38Å; N367-D372 PolarHBondContact OD1-OD2 2.97Å
368	A	88.4	Confident	80.7	Confident	9 Å²	9	70.8 Å²	70.8	7%	0.074	37%	0.366	C	S	.	.	H	α-helix	trans	-64.3	-34.4	178.8	0	0	0	0	0	113.2	K331 V332 G364 L365 F366 P383	K331-A368 HydrophobicContact CD-CB 4.01Å; K331-A368 HydrophobicContact CG-CB 4.46Å; K331-A368 PolarHBondContact NZ-O 3.5Å; V332-A368 HydrophobicContact CG2-CB 4.15Å; G364-A368 WeakPolarHBondContact O-CB 3.44Å; G364-A368 PolarHBondContact O-N 3.36Å; L365-A368 PolarHBondContact O-N 3.02Å; F366-A368 VanDerWaalsContact C-N 3.34Å; F366-A368 PolarHBondContact O-N 3.5Å; A368-P383 HydrophobicContact CB-CB 4.47Å; A368-P383 HydrophobicContact CB-CG 4.26Å; A368-P383 WeakPolarHBondContact O-CD 3.27Å
369	C	87	Confident	79.9	Confident	5 Å²	5	68.7 Å²	68.7	3%	0.034	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-7.7	173.5	-70.7	0	0	0	0	113.2	V300 L365 F366 N367	V300-C369 HydrophobicContact CG1-CB 4.43Å; L365-C369 WeakPolarHBondContact O-CB 3.4Å; L365-C369 PolarHBondContact O-N 3.18Å; L365-C369 PolarHBondContact O-SG 2.67Å; L365-C369 VanDerWaalsContact O-SG 3.37Å; F366-C369 PolarHBondContact O-N 3.46Å; N367-C369 VanDerWaalsContact C-N 3.31Å; N367-C369 PolarHBondContact O-N 2.99Å
370	G	82.8	Confident	79.2	Confident	9 Å²	9	76.7 Å²	76.7	9%	0.093	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.8	19.3	178.2	0	0	0	0	0	114	F366 N367 D372 K373	F366-G370 PolarHBondContact O-N 2.94Å; N367-G370 PolarHBondContact O-N 3.48Å; G370-D372 PolarHBondContact O-N 3.02Å; G370-K373 PolarHBondContact O-N 3.35Å
371	C	77	Confident	78.8	Confident	25 Å²	25	75.4 Å²	75.4	17%	0.169	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.8	-177.1	-59.7	0	0	0	0	113.9	T302 F366	T302-C371 HydrophobicContact CG2-CB 3.86Å; F366-C371 HydrophobicContact CD1-CB 4.08Å; F366-C371 HydrophobicContact CD2-CB 3.48Å; F366-C371 VanDerWaalsContact CD2-CB 3.48Å; F366-C371 HydrophobicContact CE1-CB 3.83Å; F366-C371 HydrophobicContact CE2-CB 3.19Å; F366-C371 HydrophobicContact CG-CB 3.93Å; F366-C371 HydrophobicContact CZ-CB 3.38Å; F366-C371 PolarHBondContact O-N 3.09Å
372	D	71.1	Confident	78.6	Confident	97 Å²	97	76.7 Å²	76.7	52%	0.519	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.1	172.4	-55	-53.1	0	0	0	113.1	F366 N367 G370	F366-D372 VanDerWaalsContact CD1-OD1 3.26Å; F366-D372 WeakPolarHBondContact CD1-OD1 3.45Å; F366-D372 WeakPolarHBondContact CE1-OD1 3.41Å; N367-D372 VanDerWaalsContact CA-OD2 3.31Å; N367-D372 WeakPolarHBondContact CA-OD2 3.4Å; N367-D372 WeakPolarHBondContact CB-OD2 3.38Å; N367-D372 PolarHBondContact OD1-OD2 2.97Å; G370-D372 PolarHBondContact O-N 3.02Å
373	K	70	Confident	78.5	Confident	135 Å²	135	76.4 Å²	76.4	59%	0.587	38%	0.375	S	S	*	.	S	Bend	trans	-103.3	131.5	-173.3	-59.1	-177.2	178.9	-173.6	0	108.7	G370 E375	G370-K373 PolarHBondContact O-N 3.35Å; K373-E375 PolarHBondContact O-N 3.03Å
374	Q	60.1	Low	78.5	Confident	210 Å²	210	80 Å²	80	98%	0.981	39%	0.389	S	S	*	.	S	Bend	trans	-70.1	-5	176.5	-75	-178.8	-17.4	0	0	113.6
375	E	62.9	Low	78.6	Confident	153 Å²	153	79.5 Å²	79.5	72%	0.715	38%	0.381	S	S	*	.	S	Bend	trans	-88.9	138.1	-178.9	-68.9	-179.5	172	0	0	112.6	K373 Q377	K373-E375 PolarHBondContact O-N 3.03Å; E375-Q377 PolarHBondContact O-N 3Å
376	F	64.5	Low	78.7	Confident	200 Å²	200	80 Å²	80	88%	0.877	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-63.3	119.7	172.4	-160.3	-91.7	0	0	0	110
377	Q	67.4	Low	78.9	Confident	50 Å²	50	78.2 Å²	78.2	23%	0.234	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-86.7	129.3	178.3	-69.7	-99.4	-34.2	0	0	110.3	E375	E375-Q377 PolarHBondContact O-N 3Å
378	D	70.9	Confident	79	Confident	53 Å²	53	75 Å²	75	28%	0.283	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-59.3	143.8	170.6	-56.3	-61.2	0	0	0	111.4	W380 K381	D378-W380 HydrophobicContact CB-CD2 3.59Å; D378-W380 HydrophobicContact CB-CE3 3.77Å; D378-W380 HydrophobicContact CB-CG 4.33Å; D378-W380 HydrophobicContact CB-CH2 3.52Å; D378-W380 HydrophobicContact CB-CZ2 3.33Å; D378-W380 HydrophobicContact CB-CZ3 3.74Å; D378-W380 PolarHBondContact O-N 3.12Å; D378-W380 WeakPolarHBondContact OD1-CH2 3.49Å; D378-W380 VanDerWaalsContact OD2-CZ2 3.24Å; D378-W380 WeakPolarHBondContact OD2-CZ2 3.36Å; D378-K381 HydrophobicContact CB-CD 4.29Å; D378-K381 HydrophobicContact CB-CG 4.48Å; D378-K381 WeakPolarHBondContact O-CB 3.39Å; D378-K381 PolarHBondContact O-N 3.43Å; D378-K381 WeakPolarHBondContact OD2-CE 3.4Å; D378-K381 IonicContact OD2-NZ 3.11Å; D378-K381 PolarHBondContact OD2-NZ 2.83Å
379	A	68.4	Low	79	Confident	70 Å²	70	74.8 Å²	74.8	58%	0.579	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.6	-175.9	0	0	0	0	0	114.3
380	W	69.3	Low	79.1	Confident	199 Å²	199	75.9 Å²	75.9	75%	0.754	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-15.3	177.2	62.4	81	0	0	0	114.4	D378	D378-W380 HydrophobicContact CB-CD2 3.59Å; D378-W380 HydrophobicContact CB-CE3 3.77Å; D378-W380 HydrophobicContact CB-CG 4.33Å; D378-W380 HydrophobicContact CB-CH2 3.52Å; D378-W380 HydrophobicContact CB-CZ2 3.33Å; D378-W380 HydrophobicContact CB-CZ3 3.74Å; D378-W380 PolarHBondContact O-N 3.12Å; D378-W380 WeakPolarHBondContact OD1-CH2 3.49Å; D378-W380 VanDerWaalsContact OD2-CZ2 3.24Å; D378-W380 WeakPolarHBondContact OD2-CZ2 3.36Å
381	K	79.6	Confident	79.3	Confident	106 Å²	106	75.6 Å²	75.6	46%	0.461	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-18.2	175.6	-67.4	172	177.6	154.8	0	112.4	D378	D378-K381 HydrophobicContact CB-CD 4.29Å; D378-K381 HydrophobicContact CB-CG 4.48Å; D378-K381 WeakPolarHBondContact O-CB 3.39Å; D378-K381 PolarHBondContact O-N 3.43Å; D378-K381 WeakPolarHBondContact OD2-CE 3.4Å; D378-K381 IonicContact OD2-NZ 3.11Å; D378-K381 PolarHBondContact OD2-NZ 2.83Å
382	L	85.7	Confident	79.4	Confident	31 Å²	31	75.1 Å²	75.1	16%	0.162	36%	0.362	C	S	.	.	S	Bend	trans	-63.8	147.1	177.8	-66.7	175.7	0	0	0	111.7	I297 V300	I297-L382 HydrophobicContact CB-CD1 3.93Å; I297-L382 HydrophobicContact CD1-CB 4.14Å; I297-L382 HydrophobicContact CG2-CD1 3.79Å; V300-L382 HydrophobicContact CG2-CD1 4.41Å; V300-L382 HydrophobicContact CG2-CD2 4.13Å
383	P	89.7	Confident	79.7	Confident	10 Å²	10	70.8 Å²	70.8	7%	0.065	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-66.7	148.2	-178.1	27.1	-33.4	0	0	0	111.6	I297 K331 A368 I385	I297-P383 HydrophobicContact CD1-CG 4.44Å; I297-P383 WeakPolarHBondContact CD1-O 3.35Å; K331-P383 HydrophobicContact CB-CB 4.36Å; K331-P383 HydrophobicContact CD-CB 4.15Å; A368-P383 HydrophobicContact CB-CB 4.47Å; A368-P383 HydrophobicContact CB-CG 4.26Å; A368-P383 WeakPolarHBondContact O-CD 3.27Å; P383-I385 HydrophobicContact CG-CD1 4.5Å; P383-I385 PolarHBondContact O-N 3.27Å
384	K	90.9	Very high	80	Confident	185 Å²	185	64.7 Å²	64.7	80%	0.804	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-68.7	130.3	168.8	-67.6	-179.1	-178.8	175.5	0	109.2	P330	P330-K384 WeakPolarHBondContact CD-O 3.46Å
385	I	93.1	Very high	81	Confident	11 Å²	11	54.7 Å²	54.7	6%	0.056	27%	0.267	C	S	.	.			trans	-115.8	135.9	177	-60.9	-62.9	0	0	0	109.5	V295 I297 M312 V327 C329 L365 P383 V387	V295-I385 WeakPolarHBondContact CB-O 3.46Å; I297-I385 HydrophobicContact CD1-CG1 3.79Å; I297-I385 HydrophobicContact CG1-CG1 4.27Å; M312-I385 HydrophobicContact SD-CG2 4.17Å; V327-I385 HydrophobicContact CG1-CG2 3.54Å; C329-I385 HydrophobicContact CB-CD1 3.66Å; L365-I385 HydrophobicContact CD1-CD1 3.98Å; P383-I385 HydrophobicContact CG-CD1 4.5Å; P383-I385 PolarHBondContact O-N 3.27Å; I385-V387 HydrophobicContact CG2-CG2 4.04Å
386	A	94.2	Very high	81.8	Confident	10 Å²	10	49.4 Å²	49.4	8%	0.083	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	135.6	168.7	0	0	0	0	0	109.4	V327 K328 W337	V327-A386 WeakPolarHBondContact CA-O 3.03Å; K328-A386 HydrophobicContact CB-CB 4.34Å; K328-A386 PolarHBondContact N-O 2.65Å; K328-A386 PolarHBondContact O-N 2.98Å; W337-A386 HydrophobicContact CH2-CB 3.69Å; W337-A386 HydrophobicContact CZ3-CB 4.16Å; W337-A386 WeakPolarHBondContact CZ3-O 3.37Å
387	V	93.5	Very high	82.7	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	123.9	-177.1	173.9	0	0	0	0	110.3	V295 M312 K314 F317 I325 F326 F351 I385	V295-V387 HydrophobicContact CG1-CG2 4.15Å; V295-V387 HydrophobicContact CG2-CB 4.02Å; V295-V387 HydrophobicContact CG2-CG2 3.91Å; M312-V387 HydrophobicContact SD-CG2 4.32Å; K314-V387 PolarHBondContact NZ-O 3.01Å; F317-V387 HydrophobicContact CE2-CG1 4.31Å; I325-V387 HydrophobicContact CB-CG1 4Å; I325-V387 HydrophobicContact CD1-CG1 3.79Å; I325-V387 HydrophobicContact CD1-CG2 4.3Å; I325-V387 HydrophobicContact CG1-CG1 4.5Å; I325-V387 HydrophobicContact CG2-CG1 4.01Å; F326-V387 WeakPolarHBondContact O-CA 3.36Å; F351-V387 HydrophobicContact CE2-CG1 4.36Å; F351-V387 HydrophobicContact CE2-CG2 4.21Å; F351-V387 HydrophobicContact CZ-CG2 4.31Å; I385-V387 HydrophobicContact CG2-CG2 4.04Å
388	D	91.7	Very high	83.6	Confident	6 Å²	6	37.9 Å²	37.9	3%	0.032	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129	171.8	-175.7	35.6	0	0	0	109.9	R287 R290 I325 F326 W337 F391	R287-D388 WeakPolarHBondContact CG-OD2 3.29Å; R287-D388 IonicContact CZ-OD2 2.71Å; R287-D388 IonicContact NE-OD2 3.87Å; R287-D388 IonicContact NH1-OD2 3.77Å; R287-D388 PolarHBondContact NH1-OD2 3.28Å; R290-D388 IonicContact CZ-OD1 3.78Å; R290-D388 IonicContact NE-OD1 3.27Å; R290-D388 PolarHBondContact NE-OD1 3.3Å; R290-D388 VanDerWaalsContact NE-OD1 3.16Å; R290-D388 IonicContact NH2-OD1 3.88Å; R290-D388 PolarHBondContact NH2-OD1 2.95Å; I325-D388 WeakPolarHBondContact CA-O 3.27Å; F326-D388 HydrophobicContact CB-CB 4.22Å; F326-D388 PolarHBondContact N-O 3.36Å; F326-D388 PolarHBondContact O-N 2.97Å; W337-D388 HydrophobicContact CE3-CB 4.33Å; W337-D388 HydrophobicContact CH2-CB 4.35Å; W337-D388 HydrophobicContact CZ3-CB 3.88Å; D388-F391 WeakPolarHBondContact O-CE2 3.48Å; D388-F391 WeakPolarHBondContact OD2-CZ 3.35Å
389	G	88.8	Confident	84.3	Confident	5 Å²	5	37.1 Å²	37.1	5%	0.052	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	130.8	-166.5	-173.2	0	0	0	0	0	113
390	P	89.6	Confident	85.1	Confident	29 Å²	29	35.5 Å²	35.5	19%	0.188	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-76.8	159.5	6.3	34.7	-36.9	0	0	0	113.2	F317 K318 Q323 I325 L342	F317-P390 HydrophobicContact CE2-CB 4.46Å; F317-P390 HydrophobicContact CE2-CG 4.39Å; F317-P390 HydrophobicContact CZ-CB 4.18Å; F317-P390 HydrophobicContact CZ-CG 4.35Å; K318-P390 VanDerWaalsContact O-CG 3.24Å; K318-P390 WeakPolarHBondContact O-CG 3.38Å; Q323-P390 HydrophobicContact CB-CB 4.1Å; I325-P390 HydrophobicContact CG2-CB 4.34Å; L342-P390 HydrophobicContact CD1-CB 4.17Å
391	F	86.2	Confident	86	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.009	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	136	177	-63.2	-68.3	0	0	0	110.6	R73 N74 Q323 Y324 F326 D388	R73-F391 HydrophobicContact CB-CD1 3.64Å; R73-F391 HydrophobicContact CB-CE1 3.55Å; R73-F391 HydrophobicContact CB-CZ 4.41Å; N74-F391 WeakPolarHBondContact OD1-CE1 3.49Å; Q323-F391 WeakPolarHBondContact CA-O 3.46Å; Q323-F391 WeakPolarHBondContact CB-O 3.34Å; Y324-F391 HydrophobicContact CD1-CB 3.98Å; Y324-F391 WeakPolarHBondContact CD1-O 3.41Å; Y324-F391 HydrophobicContact CE1-CB 3.48Å; Y324-F391 VanDerWaalsContact CE1-CB 3.48Å; Y324-F391 HydrophobicContact CE2-CB 4.2Å; Y324-F391 HydrophobicContact CE2-CD2 4.26Å; Y324-F391 PolarHBondContact N-O 3.46Å; Y324-F391 PolarHBondContact O-N 3.09Å; F326-F391 AromaticContact CD2-CD2 3.79Å; F326-F391 HydrophobicContact CD2-CD2 3.79Å; F326-F391 AromaticContact CD2-CE2 3.55Å; F326-F391 HydrophobicContact CD2-CE2 3.55Å; F326-F391 HydrophobicContact CE2-CD2 4.06Å; F326-F391 HydrophobicContact CE2-CE2 4.07Å; D388-F391 WeakPolarHBondContact O-CE2 3.48Å; D388-F391 WeakPolarHBondContact OD2-CZ 3.35Å
392	G	78.9	Confident	86.5	Confident	16 Å²	16	24.3 Å²	24.3	17%	0.165	13%	0.128	C	C	.	.			trans	-74.6	152.6	-174.9	0	0	0	0	0	115.3	E396	G392-E396 WeakPolarHBondContact CA-OE1 3.2Å
393	T	77.8	Confident	86.8	Confident	6 Å²	6	23 Å²	23	4%	0.037	12%	0.121	C	C	.	.			trans	-137.2	166	-174.4	61.6	0	0	0	0	110.8	R80 G322 Y324 S395 E396 E568 F570	R80-T393 PolarHBondContact NH2-O 2.96Å; G322-T393 VanDerWaalsContact C-OG1 3.28Å; G322-T393 WeakPolarHBondContact O-CB 3.46Å; G322-T393 VanDerWaalsContact O-CG2 3.26Å; G322-T393 WeakPolarHBondContact O-CG2 3.33Å; G322-T393 PolarHBondContact O-OG1 3.14Å; Y324-T393 HydrophobicContact CD1-CG2 3.43Å; Y324-T393 VanDerWaalsContact CD1-CG2 3.43Å; Y324-T393 HydrophobicContact CE1-CG2 3.89Å; T393-S395 PolarHBondContact O-N 3Å; T393-E396 PolarHBondContact O-N 3.1Å; T393-E568 VanDerWaalsContact CB-OE2 3.31Å; T393-E568 WeakPolarHBondContact CB-OE2 3.38Å; T393-F570 HydrophobicContact CG2-CE1 3.62Å; T393-F570 HydrophobicContact CG2-CZ 4.31Å
394	A	76.5	Confident	87	Confident	7 Å²	7	22.6 Å²	22.6	6%	0.058	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-62.1	-32.8	177.6	0	0	0	0	0	111.5	E396 D397 F535 N566	A394-E396 PolarHBondContact O-N 2.87Å; A394-E396 VanDerWaalsContact O-N 3.12Å; A394-D397 PolarHBondContact O-N 3.3Å; A394-F535 WeakPolarHBondContact O-CE1 3.32Å; A394-N566 HydrophobicContact CB-CB 4.05Å
395	S	80.5	Confident	87.2	Confident	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.	G	3₁₀ helix	trans	-55.6	-22.6	177.2	-76.7	0	0	0	0	115.2	T393 D397 V398 E568	T393-S395 PolarHBondContact O-N 3Å; S395-D397 PolarHBondContact O-N 3.14Å; S395-V398 WeakPolarHBondContact O-CB 3.2Å; S395-V398 WeakPolarHBondContact O-CG2 3.37Å; S395-V398 PolarHBondContact O-N 3.47Å; S395-E568 WeakPolarHBondContact CA-OE1 3.44Å; S395-E568 WeakPolarHBondContact CB-OE1 3.47Å; S395-E568 PolarHBondContact N-OE1 3.11Å; S395-E568 VanDerWaalsContact OG-CD 3.28Å; S395-E568 PolarHBondContact OG-OE1 3.35Å
396	E	80.9	Confident	87.3	Confident	42 Å²	42	13.2 Å²	13.2	20%	0.196	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-60.6	-30.9	173.8	-66.3	176.8	-178.5	0	0	112.5	R80 E320 Q323 G392 T393 A394 V398	R80-E396 IonicContact CZ-OE2 3.29Å; R80-E396 IonicContact NE-OE2 3.11Å; R80-E396 PolarHBondContact NE-OE2 3.44Å; R80-E396 IonicContact NH2-OE2 3.68Å; E320-E396 HydrophobicContact CB-CG 4.39Å; Q323-E396 HydrophobicContact CG-CG 4.11Å; Q323-E396 WeakPolarHBondContact CG-OE1 3.49Å; Q323-E396 PolarHBondContact NE2-OE1 2.85Å; G392-E396 WeakPolarHBondContact CA-OE1 3.2Å; T393-E396 PolarHBondContact O-N 3.1Å; A394-E396 PolarHBondContact O-N 2.87Å; A394-E396 VanDerWaalsContact O-N 3.12Å; E396-V398 PolarHBondContact O-N 3.49Å
397	D	82.3	Confident	87.3	Confident	7 Å²	7	12.8 Å²	12.8	4%	0.037	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-81.3	2.8	-176.5	-66.1	-49	0	0	0	112.4	R80 T88 R91 A394 S395 F399 S400 Y401	R80-D397 IonicContact CZ-OD2 3.78Å; R80-D397 IonicContact NH2-OD1 3.91Å; R80-D397 IonicContact NH2-OD2 3.93Å; R80-D397 PolarHBondContact NH2-OD2 2.9Å; T88-D397 HydrophobicContact CG2-CB 4.24Å; R91-D397 WeakPolarHBondContact CD-OD1 3.29Å; R91-D397 IonicContact CZ-OD1 3.71Å; R91-D397 IonicContact NH1-OD1 3.08Å; R91-D397 PolarHBondContact NH1-OD1 3.32Å; A394-D397 PolarHBondContact O-N 3.3Å; S395-D397 PolarHBondContact O-N 3.14Å; D397-F399 VanDerWaalsContact C-N 3.27Å; D397-F399 PolarHBondContact O-N 2.9Å; D397-S400 VanDerWaalsContact O-CB 3.27Å; D397-S400 WeakPolarHBondContact O-CB 3.32Å; D397-S400 PolarHBondContact O-N 3.27Å; D397-S400 PolarHBondContact O-OG 3.17Å; D397-Y401 HydrophobicContact CB-CE2 4.49Å; D397-Y401 VanDerWaalsContact O-CD2 3.23Å; D397-Y401 WeakPolarHBondContact O-CD2 3.37Å; D397-Y401 WeakPolarHBondContact O-CE2 3.41Å
398	V	86.1	Confident	87.2	Confident	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-53.5	-43	-180	163.7	0	0	0	0	112.1	S395 E396 S400 Y401 V404 L406 I419 L436 F535	S395-V398 WeakPolarHBondContact O-CB 3.2Å; S395-V398 WeakPolarHBondContact O-CG2 3.37Å; S395-V398 PolarHBondContact O-N 3.47Å; E396-V398 PolarHBondContact O-N 3.49Å; V398-S400 PolarHBondContact O-N 2.78Å; V398-S400 VanDerWaalsContact O-N 3.16Å; V398-Y401 PolarHBondContact O-N 2.91Å; V398-V404 HydrophobicContact CG1-CG1 4.24Å; V398-V404 HydrophobicContact CG1-CG2 4.31Å; V398-L406 HydrophobicContact CG2-CD2 4.14Å; V398-I419 HydrophobicContact CG1-CG2 3.86Å; V398-I419 HydrophobicContact CG2-CD1 3.86Å; V398-L436 HydrophobicContact CG1-CD2 4.31Å; V398-F535 HydrophobicContact CB-CE2 4.4Å; V398-F535 HydrophobicContact CB-CZ 4.4Å; V398-F535 HydrophobicContact CG2-CD1 4.03Å; V398-F535 HydrophobicContact CG2-CD2 3.79Å; V398-F535 HydrophobicContact CG2-CE1 3.89Å; V398-F535 HydrophobicContact CG2-CE2 3.62Å; V398-F535 HydrophobicContact CG2-CG 3.99Å; V398-F535 HydrophobicContact CG2-CZ 3.66Å
399	F	85.6	Confident	87.1	Confident	38 Å²	38	13.4 Å²	13.4	17%	0.167	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	-70.8	-7.2	179.2	-64.3	-69.8	0	0	0	114.1	V321 D397 Y401 V423 K426 L436	V321-F399 HydrophobicContact CB-CE2 4.34Å; V321-F399 HydrophobicContact CG1-CE2 3.9Å; V321-F399 HydrophobicContact CG1-CZ 4.43Å; V321-F399 HydrophobicContact CG2-CD2 4.03Å; V321-F399 HydrophobicContact CG2-CE2 3.55Å; D397-F399 VanDerWaalsContact C-N 3.27Å; D397-F399 PolarHBondContact O-N 2.9Å; F399-Y401 VanDerWaalsContact C-N 3.33Å; F399-V423 HydrophobicContact CE1-CG2 3.56Å; F399-V423 HydrophobicContact CZ-CG2 3.94Å; F399-K426 HydrophobicContact CE1-CD 4.13Å; F399-K426 VanDerWaalsContact CE2-NZ 3.31Å; F399-K426 HydrophobicContact CZ-CD 4.14Å; F399-L436 HydrophobicContact CD1-CD2 4.22Å; F399-L436 HydrophobicContact CE1-CD2 4.43Å
400	S	85.3	Confident	86.9	Confident	35 Å²	35	14.2 Å²	14.2	25%	0.245	9%	0.088	C	C	.	.	G	3₁₀ helix	trans	-83.3	-9.2	176.7	77	0	0	0	0	113.9	D397 V398 R435	D397-S400 VanDerWaalsContact O-CB 3.27Å; D397-S400 WeakPolarHBondContact O-CB 3.32Å; D397-S400 PolarHBondContact O-N 3.27Å; D397-S400 PolarHBondContact O-OG 3.17Å; V398-S400 PolarHBondContact O-N 2.78Å; V398-S400 VanDerWaalsContact O-N 3.16Å; S400-R435 VanDerWaalsContact O-CD 3.31Å; S400-R435 WeakPolarHBondContact O-CD 3.35Å; S400-R435 VanDerWaalsContact O-CZ 3.32Å; S400-R435 PolarHBondContact O-NE 3.41Å; S400-R435 PolarHBondContact O-NH1 3.07Å
401	Y	88.4	Confident	86.6	Confident	10 Å²	10	15.9 Å²	15.9	4%	0.039	9%	0.094	C	C	.	.			trans	-104.6	151.8	-179.4	-65.6	-93.6	0	0	0	111.3	D397 V398 F399 V404 L436 G533 F535 I564 N566	D397-Y401 HydrophobicContact CB-CE2 4.49Å; D397-Y401 VanDerWaalsContact O-CD2 3.23Å; D397-Y401 WeakPolarHBondContact O-CD2 3.37Å; D397-Y401 WeakPolarHBondContact O-CE2 3.41Å; V398-Y401 PolarHBondContact O-N 2.91Å; F399-Y401 VanDerWaalsContact C-N 3.33Å; Y401-V404 HydrophobicContact CD2-CG1 4.47Å; Y401-V404 HydrophobicContact CG-CG1 4.24Å; Y401-L436 VanDerWaalsContact O-CA 3.29Å; Y401-L436 WeakPolarHBondContact O-CA 3.25Å; Y401-L436 PolarHBondContact O-N 3.1Å; Y401-G533 VanDerWaalsContact CD1-CA 3.49Å; Y401-G533 VanDerWaalsContact CD1-N 3.3Å; Y401-F535 HydrophobicContact CD2-CE2 4.09Å; Y401-F535 AromaticContact CD2-CZ 3.93Å; Y401-F535 HydrophobicContact CD2-CZ 3.93Å; Y401-F535 HydrophobicContact CE2-CE2 4.15Å; Y401-F535 AromaticContact CE2-CZ 3.65Å; Y401-F535 HydrophobicContact CE2-CZ 3.65Å; Y401-I564 HydrophobicContact CE1-CB 4.04Å; Y401-I564 HydrophobicContact CE1-CD1 4Å; Y401-I564 HydrophobicContact CE1-CG1 4.3Å; Y401-I564 WeakPolarHBondContact OH-CG2 3.35Å; Y401-N566 PolarHBondContact OH-ND2 2.66Å
402	E	89.8	Confident	86.5	Confident	61 Å²	61	16.1 Å²	16.1	29%	0.285	10%	0.098	S	C	.	.	S	Bend	trans	-80.9	-35.6	173.2	-69.5	-178.6	-135	0	0	112	R435 K437 K438 T530	E402-R435 WeakPolarHBondContact CA-O 3.33Å; E402-R435 HydrophobicContact CG-CG 3.69Å; E402-R435 IonicContact OE1-NE 3.16Å; E402-R435 IonicContact OE1-NH2 2.67Å; E402-K437 PolarHBondContact O-N 3.13Å; E402-K437 IonicContact OE2-NZ 3.68Å; E402-K437 PolarHBondContact OE2-NZ 3.34Å; E402-K438 PolarHBondContact O-N 2.94Å; E402-T530 HydrophobicContact CB-CG2 4.22Å
403	V	93.2	Very high	86.8	Confident	4 Å²	4	15.4 Å²	15.4	2%	0.024	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	132.6	179.4	-176.8	0	0	0	0	108.1	K438 Y440 H527 T530 I532 G533	V403-K438 WeakPolarHBondContact CA-O 3.48Å; V403-K438 HydrophobicContact CG1-CB 4.28Å; V403-K438 HydrophobicContact CG1-CG 4.44Å; V403-K438 HydrophobicContact CG2-CB 4.26Å; V403-Y440 HydrophobicContact CG1-CD2 3.98Å; V403-Y440 HydrophobicContact CG1-CE2 3.74Å; V403-H527 HydrophobicContact CG2-CB 4.45Å; V403-T530 HydrophobicContact CB-CG2 4.48Å; V403-T530 HydrophobicContact CG2-CG2 4Å; V403-I532 HydrophobicContact CB-CG1 4.15Å; V403-I532 HydrophobicContact CG1-CG1 4.29Å; V403-I532 HydrophobicContact CG1-CG2 4.24Å; V403-I532 WeakPolarHBondContact O-CA 3.36Å; V403-G533 PolarHBondContact O-N 2.96Å
404	V	94.4	Very high	87.3	Confident	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	144.7	177.8	-59.8	0	0	0	0	111.8	V398 Y401 L406 L436 K438 I439 Y440 G533 F535	V398-V404 HydrophobicContact CG1-CG1 4.24Å; V398-V404 HydrophobicContact CG1-CG2 4.31Å; Y401-V404 HydrophobicContact CD2-CG1 4.47Å; Y401-V404 HydrophobicContact CG-CG1 4.24Å; V404-L406 HydrophobicContact CB-CD2 4.28Å; V404-L406 HydrophobicContact CG2-CD2 4.02Å; V404-L406 HydrophobicContact CG2-CG 4.1Å; V404-L436 HydrophobicContact CB-CD1 4.32Å; V404-L436 HydrophobicContact CG1-CD1 3.79Å; V404-L436 HydrophobicContact CG2-CD1 3.76Å; V404-K438 PolarHBondContact N-O 3.3Å; V404-K438 VanDerWaalsContact N-O 3.07Å; V404-I439 HydrophobicContact CG2-CB 4.23Å; V404-I439 HydrophobicContact CG2-CG1 3.88Å; V404-I439 HydrophobicContact CG2-CG2 4.08Å; V404-Y440 PolarHBondContact O-N 3.31Å; V404-G533 CarbonylContact C-O 3.5Å; V404-G533 VanDerWaalsContact CA-O 3.26Å; V404-G533 WeakPolarHBondContact CA-O 3.42Å; V404-F535 HydrophobicContact CB-CD2 4.44Å; V404-F535 HydrophobicContact CB-CE2 4.39Å; V404-F535 HydrophobicContact CG1-CE2 4Å
405	M	95.1	Very high	87.9	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	110.9	169	-166.8	176.4	73.4	0	0	108.3	V407 Y440 Y442 W516 F520 I523 G533 V534 F535 L546	M405-V407 HydrophobicContact CE-CG2 3.87Å; M405-V407 HydrophobicContact CG-CG2 4.09Å; M405-V407 HydrophobicContact SD-CG2 4.47Å; M405-Y440 CarbonylContact C-O 3.57Å; M405-Y440 VanDerWaalsContact CA-O 3.29Å; M405-Y440 WeakPolarHBondContact CA-O 3.46Å; M405-Y442 HydrophobicContact CG-CD2 3.71Å; M405-Y442 HydrophobicContact CG-CE2 3.58Å; M405-Y442 HydrophobicContact SD-CD2 4.16Å; M405-Y442 HydrophobicContact SD-CE2 3.73Å; M405-W516 HydrophobicContact CE-CZ3 4.49Å; M405-W516 HydrophobicContact SD-CZ3 4.46Å; M405-F520 HydrophobicContact CE-CD2 4.37Å; M405-F520 HydrophobicContact CE-CE1 4.24Å; M405-F520 HydrophobicContact CE-CE2 3.42Å; M405-F520 VanDerWaalsContact CE-CE2 3.42Å; M405-F520 HydrophobicContact CE-CZ 3.33Å; M405-F520 HydrophobicContact SD-CE2 4.13Å; M405-F520 HydrophobicContact SD-CZ 4.4Å; M405-I523 HydrophobicContact SD-CD1 3.96Å; M405-G533 PolarHBondContact N-O 2.7Å; M405-V534 HydrophobicContact CB-CG2 4.25Å; M405-V534 HydrophobicContact CE-CB 4.18Å; M405-V534 HydrophobicContact CE-CG1 3.3Å; M405-V534 HydrophobicContact CE-CG2 3.9Å; M405-V534 CarbonylContact O-C 3.56Å; M405-V534 WeakPolarHBondContact O-CA 3.34Å; M405-F535 PolarHBondContact O-N 3.17Å; M405-L546 HydrophobicContact CE-CD2 4.29Å
406	L	94.6	Very high	88.4	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	115.8	179.3	-55	-177	0	0	0	108.3	V398 V404 F416 I419 I439 Y440 F441 Y442 F535	V398-L406 HydrophobicContact CG2-CD2 4.14Å; V404-L406 HydrophobicContact CB-CD2 4.28Å; V404-L406 HydrophobicContact CG2-CD2 4.02Å; V404-L406 HydrophobicContact CG2-CG 4.1Å; L406-F416 HydrophobicContact CB-CD1 3.81Å; L406-F416 HydrophobicContact CB-CD2 4.45Å; L406-F416 HydrophobicContact CB-CE1 3.91Å; L406-F416 HydrophobicContact CB-CG 4.11Å; L406-F416 HydrophobicContact CB-CZ 4.27Å; L406-F416 HydrophobicContact CD1-CB 4.45Å; L406-F416 HydrophobicContact CD1-CD1 3.9Å; L406-F416 HydrophobicContact CD1-CG 4.36Å; L406-F416 HydrophobicContact CD2-CD1 3.85Å; L406-F416 HydrophobicContact CD2-CE1 3.74Å; L406-F416 HydrophobicContact CG-CD1 4.05Å; L406-F416 HydrophobicContact CG-CE1 4.26Å; L406-I419 HydrophobicContact CD1-CG2 4.22Å; L406-I439 HydrophobicContact CD1-CG2 3.72Å; L406-I439 HydrophobicContact CG-CG2 4.06Å; L406-Y440 PolarHBondContact N-O 3.44Å; L406-F441 HydrophobicContact CB-CD2 3.91Å; L406-F441 HydrophobicContact CD1-CD2 4.47Å; L406-F441 CarbonylContact O-C 3.59Å; L406-F441 WeakPolarHBondContact O-CA 3.45Å; L406-Y442 PolarHBondContact O-N 2.65Å; L406-F535 HydrophobicContact CD2-CB 3.98Å; L406-F535 HydrophobicContact CD2-CD2 3.93Å; L406-F535 HydrophobicContact CD2-CG 4.24Å
407	V	94.4	Very high	88.8	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	109.6	-178.5	-172.1	0	0	0	0	109.6	M405 F416 Y442 L444 W516 F535 L536 C537 L542 L546	M405-V407 HydrophobicContact CE-CG2 3.87Å; M405-V407 HydrophobicContact CG-CG2 4.09Å; M405-V407 HydrophobicContact SD-CG2 4.47Å; V407-F416 VanDerWaalsContact C-CE2 3.46Å; V407-F416 VanDerWaalsContact O-CE2 3.3Å; V407-F416 WeakPolarHBondContact O-CE2 3.24Å; V407-Y442 CarbonylContact C-O 3.45Å; V407-Y442 WeakPolarHBondContact CA-O 3.47Å; V407-Y442 HydrophobicContact CG2-CD2 4.3Å; V407-L444 HydrophobicContact CG1-CD1 3.56Å; V407-W516 HydrophobicContact CB-CH2 4.47Å; V407-W516 HydrophobicContact CG1-CH2 3.63Å; V407-W516 HydrophobicContact CG1-CZ2 4.01Å; V407-W516 HydrophobicContact CG2-CH2 3.94Å; V407-W516 HydrophobicContact CG2-CZ3 4.18Å; V407-F535 PolarHBondContact N-O 3.25Å; V407-L536 HydrophobicContact CB-CD1 4.04Å; V407-L536 HydrophobicContact CG1-CD1 3.92Å; V407-L536 WeakPolarHBondContact O-CA 3.45Å; V407-L536 WeakPolarHBondContact O-CD1 3.31Å; V407-C537 PolarHBondContact O-N 3.36Å; V407-L542 HydrophobicContact CG1-CD2 4.18Å; V407-L546 HydrophobicContact CB-CD1 3.98Å; V407-L546 HydrophobicContact CG1-CD1 3.98Å; V407-L546 HydrophobicContact CG2-CD1 3.94Å
408	G	91.8	Very high	89.2	Confident	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	137	176.4	0	0	0	0	0	111.6	Y442 W443 L444	G408-Y442 PolarHBondContact N-O 3.43Å; G408-W443 WeakPolarHBondContact O-CA 3.47Å; G408-L444 PolarHBondContact O-N 2.91Å
409	A	89.2	Confident	89.4	Confident	20 Å²	20	13.1 Å²	13.1	17%	0.165	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.6	172.6	0	0	0	0	0	111.7	I411 G412 L444 C537 P539 L542	A409-I411 PolarHBondContact O-N 2.64Å; A409-G412 WeakPolarHBondContact O-CA 3.38Å; A409-G412 PolarHBondContact O-N 3.29Å; A409-L444 CarbonylContact C-O 3.55Å; A409-L444 VanDerWaalsContact CA-O 3.29Å; A409-L444 WeakPolarHBondContact CA-O 3.25Å; A409-C537 PolarHBondContact N-O 3.33Å; A409-P539 VanDerWaalsContact CB-CD 3.49Å; A409-P539 HydrophobicContact CB-CG 4.49Å; A409-L542 HydrophobicContact CB-CD2 4.34Å
410	G	84.8	Confident	89.6	Confident	22 Å²	22	11.4 Å²	11.4	23%	0.227	7%	0.071	C	C	.	.	G	3₁₀ helix	trans	57.7	-130.9	-175.8	0	0	0	0	0	112.3	G412 V413 W443 L444	G410-G412 PolarHBondContact O-N 2.86Å; G410-G412 VanDerWaalsContact O-N 3.11Å; G410-V413 PolarHBondContact O-N 2.94Å; G410-W443 PolarHBondContact O-NE1 3.43Å; G410-L444 PolarHBondContact N-O 2.98Å
411	I	82.3	Confident	89.8	Confident	63 Å²	63	11.6 Å²	11.6	32%	0.323	7%	0.067	S	C	.	.	G	3₁₀ helix	trans	-62.9	-13	174.4	-159.8	69	0	0	0	112.9	T307 R356 A409 V413 T414	T307-I411 HydrophobicContact CG2-CD1 4.35Å; R356-I411 HydrophobicContact CB-CD1 4.01Å; R356-I411 HydrophobicContact CB-CG1 4.15Å; A409-I411 PolarHBondContact O-N 2.64Å; I411-V413 PolarHBondContact O-N 3.12Å; I411-T414 HydrophobicContact CD1-CG2 4.27Å; I411-T414 HydrophobicContact CG1-CG2 4.22Å; I411-T414 VanDerWaalsContact O-CG2 3.29Å; I411-T414 WeakPolarHBondContact O-CG2 3.45Å; I411-T414 PolarHBondContact O-N 3.18Å; I411-T414 PolarHBondContact O-OG1 3.23Å
412	G	83.7	Confident	89.8	Confident	8 Å²	8	11.1 Å²	11.1	8%	0.082	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	-63.8	-2.4	175.9	0	0	0	0	0	114.5	A409 G410 T414 P415 C537	A409-G412 WeakPolarHBondContact O-CA 3.38Å; A409-G412 PolarHBondContact O-N 3.29Å; G410-G412 PolarHBondContact O-N 2.86Å; G410-G412 VanDerWaalsContact O-N 3.11Å; G412-T414 VanDerWaalsContact C-N 3.28Å; G412-P415 WeakPolarHBondContact O-CD 3.15Å; G412-C537 WeakPolarHBondContact CA-SG 3.43Å; G412-C537 WeakPolarHBondContact O-CB 3.29Å; G412-C537 PolarHBondContact O-SG 2.65Å
413	V	86.4	Confident	89.6	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-71.1	-21.6	171.5	69.3	0	0	0	0	113.8	G410 I411 F416 A417 F441 W443 W453 F454	G410-V413 PolarHBondContact O-N 2.94Å; I411-V413 PolarHBondContact O-N 3.12Å; V413-F416 WeakPolarHBondContact O-CA 3.43Å; V413-F416 WeakPolarHBondContact O-CB 3.35Å; V413-F416 PolarHBondContact O-N 3.46Å; V413-A417 PolarHBondContact O-N 3.19Å; V413-F441 HydrophobicContact CG2-CE2 4.02Å; V413-F441 HydrophobicContact CG2-CZ 3.54Å; V413-W443 HydrophobicContact CB-CZ2 4.45Å; V413-W443 HydrophobicContact CG1-CZ2 3.9Å; V413-W443 HydrophobicContact CG2-CD2 4.33Å; V413-W443 HydrophobicContact CG2-CG 4.43Å; V413-W453 HydrophobicContact CG1-CH2 4.16Å; V413-W453 HydrophobicContact CG1-CZ2 3.51Å; V413-F454 HydrophobicContact CG1-CD2 4.47Å; V413-F454 HydrophobicContact CG2-CD1 3.88Å; V413-F454 HydrophobicContact CG2-CD2 4.02Å; V413-F454 HydrophobicContact CG2-CE1 3.6Å; V413-F454 HydrophobicContact CG2-CE2 3.73Å; V413-F454 HydrophobicContact CG2-CG 4.07Å; V413-F454 HydrophobicContact CG2-CZ 3.5Å
414	T	88.2	Confident	89	Confident	12 Å²	12	10 Å²	10	7%	0.074	6%	0.059	C	C	.	.	H	α-helix	trans	-48	-46.8	-175.8	44.9	0	0	0	0	116.8	T343 H354 I411 G412 F416 A417 W453	T343-T414 HydrophobicContact CG2-CG2 3.8Å; H354-T414 HydrophobicContact CB-CG2 3.99Å; I411-T414 HydrophobicContact CD1-CG2 4.27Å; I411-T414 HydrophobicContact CG1-CG2 4.22Å; I411-T414 VanDerWaalsContact O-CG2 3.29Å; I411-T414 WeakPolarHBondContact O-CG2 3.45Å; I411-T414 PolarHBondContact O-N 3.18Å; I411-T414 PolarHBondContact O-OG1 3.23Å; G412-T414 VanDerWaalsContact C-N 3.28Å; T414-F416 PolarHBondContact O-N 3.36Å; T414-A417 VanDerWaalsContact O-CB 3.26Å; T414-A417 WeakPolarHBondContact O-CB 3.35Å; T414-A417 PolarHBondContact O-N 3.17Å; T414-W453 HydrophobicContact CG2-CH2 4.11Å; T414-W453 HydrophobicContact CG2-CZ2 4.17Å
415	P	88.8	Confident	88.6	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60	-35.4	174.9	19.5	-31.2	0	0	0	112.9	T341 G412 A417 S418 I419 C537 F570	T341-P415 HydrophobicContact CG2-CB 3.73Å; T341-P415 HydrophobicContact CG2-CG 4.36Å; G412-P415 WeakPolarHBondContact O-CD 3.15Å; P415-A417 VanDerWaalsContact C-N 3.29Å; P415-A417 PolarHBondContact O-N 2.74Å; P415-S418 PolarHBondContact O-N 3.42Å; P415-I419 WeakPolarHBondContact O-CG1 3.4Å; P415-I419 PolarHBondContact O-N 3.5Å; P415-C537 HydrophobicContact CG-CB 3.79Å; P415-F570 HydrophobicContact CG-CE2 4.34Å
416	F	90.4	Very high	88	Confident	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-74.1	-22.5	-178.3	-53.8	-50.7	0	0	0	112.2	L406 V407 V413 T414 I419 L420 F441 F535 C537	L406-F416 HydrophobicContact CB-CD1 3.81Å; L406-F416 HydrophobicContact CB-CD2 4.45Å; L406-F416 HydrophobicContact CB-CE1 3.91Å; L406-F416 HydrophobicContact CB-CG 4.11Å; L406-F416 HydrophobicContact CB-CZ 4.27Å; L406-F416 HydrophobicContact CD1-CB 4.45Å; L406-F416 HydrophobicContact CD1-CD1 3.9Å; L406-F416 HydrophobicContact CD1-CG 4.36Å; L406-F416 HydrophobicContact CD2-CD1 3.85Å; L406-F416 HydrophobicContact CD2-CE1 3.74Å; L406-F416 HydrophobicContact CG-CD1 4.05Å; L406-F416 HydrophobicContact CG-CE1 4.26Å; V407-F416 VanDerWaalsContact C-CE2 3.46Å; V407-F416 VanDerWaalsContact O-CE2 3.3Å; V407-F416 WeakPolarHBondContact O-CE2 3.24Å; V413-F416 WeakPolarHBondContact O-CA 3.43Å; V413-F416 WeakPolarHBondContact O-CB 3.35Å; V413-F416 PolarHBondContact O-N 3.46Å; T414-F416 PolarHBondContact O-N 3.36Å; F416-I419 HydrophobicContact CD1-CD1 3.69Å; F416-I419 HydrophobicContact CE1-CD1 4.26Å; F416-I419 PolarHBondContact O-N 3.02Å; F416-L420 WeakPolarHBondContact O-CB 3.28Å; F416-L420 VanDerWaalsContact O-CG 3.28Å; F416-L420 WeakPolarHBondContact O-CG 3.28Å; F416-L420 PolarHBondContact O-N 3.16Å; F416-F441 HydrophobicContact CB-CD2 4.38Å; F416-F441 HydrophobicContact CB-CE2 3.82Å; F416-F441 HydrophobicContact CD2-CE2 4.1Å; F416-F441 HydrophobicContact CG-CE2 4.22Å; F416-F535 HydrophobicContact CE1-CB 3.91Å; F416-F535 HydrophobicContact CZ-CB 4.17Å; F416-C537 HydrophobicContact CE2-CB 4.02Å; F416-C537 HydrophobicContact CZ-CB 4.2Å
417	A	89.3	Confident	87.1	Confident	2 Å²	2	18.9 Å²	18.9	2%	0.017	10%	0.095	C	C	.	.	H	α-helix	trans	-57.7	-51.6	169.5	0	0	0	0	0	111.6	V413 T414 P415 I419 L420 K421 W453 F454 L457	V413-A417 PolarHBondContact O-N 3.19Å; T414-A417 VanDerWaalsContact O-CB 3.26Å; T414-A417 WeakPolarHBondContact O-CB 3.35Å; T414-A417 PolarHBondContact O-N 3.17Å; P415-A417 VanDerWaalsContact C-N 3.29Å; P415-A417 PolarHBondContact O-N 2.74Å; A417-I419 VanDerWaalsContact C-N 3.32Å; A417-I419 PolarHBondContact O-N 3.35Å; A417-L420 PolarHBondContact O-N 2.86Å; A417-K421 WeakPolarHBondContact O-CB 3.46Å; A417-K421 WeakPolarHBondContact O-CG 3.49Å; A417-K421 PolarHBondContact O-N 2.88Å; A417-W453 HydrophobicContact CB-CH2 4.37Å; A417-W453 HydrophobicContact CB-CZ3 4.49Å; A417-F454 HydrophobicContact CB-CD2 4.24Å; A417-F454 HydrophobicContact CB-CE2 3.59Å; A417-L457 HydrophobicContact CB-CD2 4.28Å
418	S	90.8	Very high	86.1	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.4	-42.3	178.6	178.7	0	0	0	0	111.4	L342 T343 S344 P415 S422	L342-S418 WeakPolarHBondContact O-CB 3.32Å; T343-S418 WeakPolarHBondContact O-CA 3.19Å; T343-S418 PolarHBondContact O-N 3.31Å; S344-S418 VanDerWaalsContact O-CB 3.3Å; S344-S418 WeakPolarHBondContact O-CB 3.44Å; S344-S418 PolarHBondContact O-OG 3.39Å; P415-S418 PolarHBondContact O-N 3.42Å; S418-S422 WeakPolarHBondContact O-CB 3.27Å; S418-S422 PolarHBondContact O-N 3Å
419	I	90.5	Very high	85.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.7	-53.1	177.3	-69.1	161.4	0	0	0	111.2	V321 V398 L406 P415 F416 A417 K421 S422 V423	V321-I419 HydrophobicContact CB-CG1 3.98Å; V321-I419 HydrophobicContact CG2-CG1 4.18Å; V398-I419 HydrophobicContact CG1-CG2 3.86Å; V398-I419 HydrophobicContact CG2-CD1 3.86Å; L406-I419 HydrophobicContact CD1-CG2 4.22Å; P415-I419 WeakPolarHBondContact O-CG1 3.4Å; P415-I419 PolarHBondContact O-N 3.5Å; F416-I419 HydrophobicContact CD1-CD1 3.69Å; F416-I419 HydrophobicContact CE1-CD1 4.26Å; F416-I419 PolarHBondContact O-N 3.02Å; A417-I419 VanDerWaalsContact C-N 3.32Å; A417-I419 PolarHBondContact O-N 3.35Å; I419-K421 VanDerWaalsContact C-N 3.34Å; I419-K421 PolarHBondContact O-N 3.48Å; I419-S422 PolarHBondContact O-N 3.43Å; I419-V423 HydrophobicContact CG2-CG2 4.29Å; I419-V423 WeakPolarHBondContact O-CB 3.4Å; I419-V423 VanDerWaalsContact O-CG2 3.23Å; I419-V423 WeakPolarHBondContact O-CG2 3.46Å; I419-V423 PolarHBondContact O-N 3.22Å
420	L	89.6	Confident	84.3	Confident	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-64.9	-38.3	-176	-70.4	178.3	0	0	0	111.8	F416 A417 V423 W424 I439 F441 F454 L458 L461 L474	F416-L420 WeakPolarHBondContact O-CB 3.28Å; F416-L420 VanDerWaalsContact O-CG 3.28Å; F416-L420 WeakPolarHBondContact O-CG 3.28Å; F416-L420 PolarHBondContact O-N 3.16Å; A417-L420 PolarHBondContact O-N 2.86Å; L420-V423 WeakPolarHBondContact O-CB 3.31Å; L420-V423 PolarHBondContact O-N 3.32Å; L420-W424 WeakPolarHBondContact O-CB 3.11Å; L420-W424 PolarHBondContact O-N 3.03Å; L420-I439 HydrophobicContact CD2-CD1 4.03Å; L420-I439 HydrophobicContact CD2-CG2 4.4Å; L420-F441 HydrophobicContact CD1-CD2 4.45Å; L420-F454 HydrophobicContact CD1-CE1 4.38Å; L420-F454 HydrophobicContact CD1-CZ 3.88Å; L420-L458 HydrophobicContact CD1-CD2 4.01Å; L420-L461 HydrophobicContact CB-CD1 3.72Å; L420-L461 HydrophobicContact CD1-CD1 4.12Å; L420-L461 HydrophobicContact CG-CD1 4.38Å; L420-L474 HydrophobicContact CD2-CD1 3.89Å; L420-L474 HydrophobicContact CD2-CD2 4.36Å
421	K	89.2	Confident	83.2	Confident	39 Å²	39	32.4 Å²	32.4	17%	0.17	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-43.3	172.1	-73.6	179.9	168.6	-159.8	0	112.7	A345 E348 A417 I419 W424 Y425 L457	A345-K421 HydrophobicContact CB-CB 3.7Å; E348-K421 IonicContact OE1-NZ 2.69Å; E348-K421 PolarHBondContact OE1-NZ 3.19Å; E348-K421 VanDerWaalsContact OE1-NZ 3.08Å; E348-K421 IonicContact OE2-NZ 2.89Å; A417-K421 WeakPolarHBondContact O-CB 3.46Å; A417-K421 WeakPolarHBondContact O-CG 3.49Å; A417-K421 PolarHBondContact O-N 2.88Å; I419-K421 VanDerWaalsContact C-N 3.34Å; I419-K421 PolarHBondContact O-N 3.48Å; K421-W424 VanDerWaalsContact O-CB 3.26Å; K421-W424 WeakPolarHBondContact O-CB 3.4Å; K421-W424 PolarHBondContact O-N 3.49Å; K421-Y425 HydrophobicContact CB-CE2 4.39Å; K421-Y425 WeakPolarHBondContact O-CD2 3.43Å; K421-Y425 PolarHBondContact O-N 3.46Å; K421-L457 HydrophobicContact CG-CD1 3.67Å; K421-L457 HydrophobicContact CG-CD2 4.03Å
422	S	89.3	Confident	81.9	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-67.9	-39	177.7	178.8	0	0	0	0	112	E347 S418 I419 W424 Y425 K426	E347-S422 PolarHBondContact OE1-OG 3.06Å; E347-S422 WeakPolarHBondContact OE2-CA 3.23Å; E347-S422 WeakPolarHBondContact OE2-CB 3.31Å; E347-S422 PolarHBondContact OE2-OG 3.11Å; S418-S422 WeakPolarHBondContact O-CB 3.27Å; S418-S422 PolarHBondContact O-N 3Å; I419-S422 PolarHBondContact O-N 3.43Å; S422-W424 PolarHBondContact O-N 3.37Å; S422-Y425 PolarHBondContact O-N 3.26Å; S422-K426 WeakPolarHBondContact O-CB 3.33Å; S422-K426 VanDerWaalsContact O-CG 3.3Å; S422-K426 WeakPolarHBondContact O-CG 3.29Å; S422-K426 PolarHBondContact O-N 3.14Å; S422-K426 WeakPolarHBondContact OG-CE 3.34Å
423	V	85.3	Confident	80.9	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.012	22%	0.224	C	C	.	.	H	α-helix	trans	-54.5	-46.3	170.6	165.6	0	0	0	0	110	F399 I419 L420 Y427 L436 I439 F473	F399-V423 HydrophobicContact CE1-CG2 3.56Å; F399-V423 HydrophobicContact CZ-CG2 3.94Å; I419-V423 HydrophobicContact CG2-CG2 4.29Å; I419-V423 WeakPolarHBondContact O-CB 3.4Å; I419-V423 VanDerWaalsContact O-CG2 3.23Å; I419-V423 WeakPolarHBondContact O-CG2 3.46Å; I419-V423 PolarHBondContact O-N 3.22Å; L420-V423 WeakPolarHBondContact O-CB 3.31Å; L420-V423 PolarHBondContact O-N 3.32Å; V423-Y427 WeakPolarHBondContact O-CB 3.34Å; V423-Y427 PolarHBondContact O-N 3.02Å; V423-L436 HydrophobicContact CG2-CD2 4.03Å; V423-I439 HydrophobicContact CG1-CD1 4.18Å; V423-I439 HydrophobicContact CG2-CD1 4.01Å; V423-F473 HydrophobicContact CG1-CE1 3.51Å; V423-F473 HydrophobicContact CG1-CZ 3.88Å
424	W	82	Confident	80.2	Confident	40 Å²	40	44.7 Å²	44.7	15%	0.152	24%	0.237	C	C	.	.	H	α-helix	trans	-57.7	-56.5	175.1	167.3	-108.5	0	0	0	112.7	L420 K421 S422 K426 Y427 C428 L461 Q464	L420-W424 WeakPolarHBondContact O-CB 3.11Å; L420-W424 PolarHBondContact O-N 3.03Å; K421-W424 VanDerWaalsContact O-CB 3.26Å; K421-W424 WeakPolarHBondContact O-CB 3.4Å; K421-W424 PolarHBondContact O-N 3.49Å; S422-W424 PolarHBondContact O-N 3.37Å; W424-K426 VanDerWaalsContact C-N 3.31Å; W424-K426 PolarHBondContact O-N 2.96Å; W424-Y427 WeakPolarHBondContact O-CB 3.38Å; W424-Y427 PolarHBondContact O-N 2.86Å; W424-C428 VanDerWaalsContact CD2-SG 3.53Å; W424-C428 WeakPolarHBondContact CH2-SG 3.31Å; W424-C428 WeakPolarHBondContact CZ2-SG 3.46Å; W424-C428 PolarHBondContact O-N 3.46Å; W424-C428 PolarHBondContact O-SG 3.3Å; W424-L461 HydrophobicContact CB-CD2 3.58Å; W424-L461 HydrophobicContact CD2-CD2 4.35Å; W424-L461 HydrophobicContact CE3-CD2 4.32Å; W424-L461 HydrophobicContact CG-CD2 4.08Å; W424-Q464 HydrophobicContact CE3-CB 4.18Å; W424-Q464 HydrophobicContact CH2-CB 3.19Å; W424-Q464 HydrophobicContact CH2-CG 3.36Å; W424-Q464 VanDerWaalsContact CH2-OE1 3.23Å; W424-Q464 HydrophobicContact CZ2-CB 4.15Å; W424-Q464 HydrophobicContact CZ2-CG 3.87Å; W424-Q464 HydrophobicContact CZ3-CB 3.19Å; W424-Q464 HydrophobicContact CZ3-CG 3.88Å
425	Y	84.9	Confident	80.1	Confident	72 Å²	72	50.4 Å²	50.4	28%	0.282	26%	0.257	S	S	.	.	H	α-helix	trans	-57.8	-41.6	-179.7	-72	-62.5	0	0	0	113	A345 E347 E348 K421 S422 Y427 C428 N429	A345-Y425 HydrophobicContact CB-CD2 3.77Å; A345-Y425 HydrophobicContact CB-CE2 3.76Å; E347-Y425 HydrophobicContact CB-CD1 4.46Å; E347-Y425 HydrophobicContact CB-CD2 3.77Å; E347-Y425 HydrophobicContact CB-CE2 4.41Å; E347-Y425 HydrophobicContact CB-CG 3.81Å; E347-Y425 HydrophobicContact CG-CD2 4.33Å; E347-Y425 HydrophobicContact CG-CG 4.22Å; E348-Y425 HydrophobicContact CG-CE2 3.78Å; E348-Y425 WeakPolarHBondContact CG-OH 3.31Å; E348-Y425 PolarHBondContact OE1-OH 3.32Å; K421-Y425 HydrophobicContact CB-CE2 4.39Å; K421-Y425 WeakPolarHBondContact O-CD2 3.43Å; K421-Y425 PolarHBondContact O-N 3.46Å; S422-Y425 PolarHBondContact O-N 3.26Å; Y425-Y427 VanDerWaalsContact C-N 3.31Å; Y425-Y427 PolarHBondContact O-N 3.01Å; Y425-C428 PolarHBondContact O-N 3.4Å; Y425-N429 WeakPolarHBondContact O-CB 3.39Å; Y425-N429 VanDerWaalsContact O-CG 3.31Å; Y425-N429 PolarHBondContact O-N 3.09Å; Y425-N429 PolarHBondContact O-ND2 3.38Å
426	K	82.4	Confident	80	Confident	53 Å²	53	50.7 Å²	50.7	23%	0.23	26%	0.258	C	S	.	.	H	α-helix	trans	-65.7	-35.9	177.4	-70.2	175.6	-176.7	177	0	112.1	E347 F399 S422 W424 A431 L434	E347-K426 VanDerWaalsContact OE1-CE 3.29Å; E347-K426 WeakPolarHBondContact OE1-CE 3.31Å; F399-K426 HydrophobicContact CE1-CD 4.13Å; F399-K426 VanDerWaalsContact CE2-NZ 3.31Å; F399-K426 HydrophobicContact CZ-CD 4.14Å; S422-K426 WeakPolarHBondContact O-CB 3.33Å; S422-K426 VanDerWaalsContact O-CG 3.3Å; S422-K426 WeakPolarHBondContact O-CG 3.29Å; S422-K426 PolarHBondContact O-N 3.14Å; S422-K426 WeakPolarHBondContact OG-CE 3.34Å; W424-K426 VanDerWaalsContact C-N 3.31Å; W424-K426 PolarHBondContact O-N 2.96Å; K426-A431 HydrophobicContact CB-CB 4.29Å; K426-A431 WeakPolarHBondContact O-CB 3.14Å; K426-A431 PolarHBondContact O-N 3.09Å; K426-A431 VanDerWaalsContact O-N 3.1Å; K426-L434 HydrophobicContact CB-CD1 4.03Å; K426-L434 HydrophobicContact CB-CD2 4.22Å; K426-L434 HydrophobicContact CD-CD2 3.99Å
427	Y	75.9	Confident	79.9	Confident	62 Å²	62	56.9 Å²	56.9	24%	0.243	29%	0.285	C	S	.	.	H	α-helix	trans	-71.7	-41	175.7	-158.4	-99.3	0	0	0	111.9	V423 W424 Y425 N429 N430 R468 N470	V423-Y427 WeakPolarHBondContact O-CB 3.34Å; V423-Y427 PolarHBondContact O-N 3.02Å; W424-Y427 WeakPolarHBondContact O-CB 3.38Å; W424-Y427 PolarHBondContact O-N 2.86Å; Y425-Y427 VanDerWaalsContact C-N 3.31Å; Y425-Y427 PolarHBondContact O-N 3.01Å; Y427-N429 VanDerWaalsContact C-N 3.31Å; Y427-N429 PolarHBondContact O-N 3.34Å; Y427-N430 PolarHBondContact O-N 3.44Å; Y427-R468 HydrophobicContact CE1-CB 4.24Å; Y427-R468 PolarHBondContact O-NH1 2.96Å; Y427-N470 WeakPolarHBondContact OH-CB 3.22Å; Y427-N470 PolarHBondContact OH-ND2 2.99Å
428	C	74.1	Confident	80	Confident	33 Å²	33	58.1 Å²	58.1	22%	0.223	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-43.1	175	-69.9	0	0	0	0	112.5	W424 Y425 N430	W424-C428 VanDerWaalsContact CD2-SG 3.53Å; W424-C428 WeakPolarHBondContact CH2-SG 3.31Å; W424-C428 WeakPolarHBondContact CZ2-SG 3.46Å; W424-C428 PolarHBondContact O-N 3.46Å; W424-C428 PolarHBondContact O-SG 3.3Å; Y425-C428 PolarHBondContact O-N 3.4Å; C428-N430 PolarHBondContact O-N 2.81Å
429	N	77.2	Confident	80	Confident	124 Å²	124	58.1 Å²	58.1	66%	0.663	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.3	15.4	-175.8	-66.5	-18.7	0	0	0	113.8	Y425 Y427 A431	Y425-N429 WeakPolarHBondContact O-CB 3.39Å; Y425-N429 VanDerWaalsContact O-CG 3.31Å; Y425-N429 PolarHBondContact O-N 3.09Å; Y425-N429 PolarHBondContact O-ND2 3.38Å; Y427-N429 VanDerWaalsContact C-N 3.31Å; Y427-N429 PolarHBondContact O-N 3.34Å; N429-A431 VanDerWaalsContact C-N 3.28Å; N429-A431 PolarHBondContact O-N 3.04Å
430	N	64.8	Low	80.2	Confident	121 Å²	121	58.9 Å²	58.9	65%	0.647	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.8	45.4	-178.2	-78.2	-12	0	0	0	112.9	Y427 C428 T432	Y427-N430 PolarHBondContact O-N 3.44Å; C428-N430 PolarHBondContact O-N 2.81Å; N430-T432 WeakPolarHBondContact O-CG2 3.39Å; N430-T432 PolarHBondContact O-N 3.32Å
431	A	62.4	Low	80.4	Confident	48 Å²	48	58.8 Å²	58.8	40%	0.397	29%	0.293	S	S	.	.			trans	-62.1	100.5	172.7	0	0	0	0	0	109.2	K426 N429 N433 L434	K426-A431 HydrophobicContact CB-CB 4.29Å; K426-A431 WeakPolarHBondContact O-CB 3.14Å; K426-A431 PolarHBondContact O-N 3.09Å; K426-A431 VanDerWaalsContact O-N 3.1Å; N429-A431 VanDerWaalsContact C-N 3.28Å; N429-A431 PolarHBondContact O-N 3.04Å; A431-N433 PolarHBondContact O-N 3.49Å; A431-L434 HydrophobicContact CB-CG 4.4Å
432	T	53.9	Low	80.6	Confident	126 Å²	126	57 Å²	57	77%	0.773	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	1.7	-166	40.2	0	0	0	0	115.4	N430	N430-T432 WeakPolarHBondContact O-CG2 3.39Å; N430-T432 PolarHBondContact O-N 3.32Å
433	N	63.1	Low	80.7	Confident	152 Å²	152	57 Å²	57	81%	0.813	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.2	48	-173.7	-75.1	-52.2	0	0	0	114	A431 R435	A431-N433 PolarHBondContact O-N 3.49Å; N433-R435 PolarHBondContact O-N 3.24Å
434	L	72.8	Confident	80.9	Confident	50 Å²	50	57.7 Å²	57.7	26%	0.262	29%	0.288	S	S	.	.			trans	-72.4	119.7	168	-69.5	175.2	0	0	0	109.9	K426 A431 L436	K426-L434 HydrophobicContact CB-CD1 4.03Å; K426-L434 HydrophobicContact CB-CD2 4.22Å; K426-L434 HydrophobicContact CD-CD2 3.99Å; A431-L434 HydrophobicContact CB-CG 4.4Å; L434-L436 PolarHBondContact O-N 2.95Å
435	R	84.6	Confident	81.1	Confident	133 Å²	133	56.1 Å²	56.1	50%	0.502	28%	0.283	S	S	.	.	S	Bend	trans	-64.1	-34	172.1	-176.4	174.4	-177.7	173.6	9.6	111.7	S400 E402 N433 K437	S400-R435 VanDerWaalsContact O-CD 3.31Å; S400-R435 WeakPolarHBondContact O-CD 3.35Å; S400-R435 VanDerWaalsContact O-CZ 3.32Å; S400-R435 PolarHBondContact O-NE 3.41Å; S400-R435 PolarHBondContact O-NH1 3.07Å; E402-R435 WeakPolarHBondContact CA-O 3.33Å; E402-R435 HydrophobicContact CG-CG 3.69Å; E402-R435 IonicContact OE1-NE 3.16Å; E402-R435 IonicContact OE1-NH2 2.67Å; N433-R435 PolarHBondContact O-N 3.24Å; R435-K437 PolarHBondContact O-N 2.74Å
436	L	87.9	Confident	81	Confident	6 Å²	6	61.9 Å²	61.9	3%	0.031	31%	0.305	C	S	.	.			trans	-68.7	119	179.3	-177.1	64.6	0	0	0	110.7	V398 F399 Y401 V404 V423 L434 I439 F473	V398-L436 HydrophobicContact CG1-CD2 4.31Å; F399-L436 HydrophobicContact CD1-CD2 4.22Å; F399-L436 HydrophobicContact CE1-CD2 4.43Å; Y401-L436 VanDerWaalsContact O-CA 3.29Å; Y401-L436 WeakPolarHBondContact O-CA 3.25Å; Y401-L436 PolarHBondContact O-N 3.1Å; V404-L436 HydrophobicContact CB-CD1 4.32Å; V404-L436 HydrophobicContact CG1-CD1 3.79Å; V404-L436 HydrophobicContact CG2-CD1 3.76Å; V423-L436 HydrophobicContact CG2-CD2 4.03Å; L434-L436 PolarHBondContact O-N 2.95Å; L436-I439 HydrophobicContact CD1-CG1 4.32Å; L436-I439 HydrophobicContact CD2-CD1 3.85Å; L436-I439 HydrophobicContact CD2-CG1 3.97Å; L436-I439 HydrophobicContact CG-CG1 4.28Å; L436-F473 HydrophobicContact CD2-CZ 4.42Å; L436-F473 HydrophobicContact CG-CZ 4.28Å; L436-F473 WeakPolarHBondContact O-CE2 3.48Å
437	K	87.3	Confident	80.8	Confident	129 Å²	129	61.9 Å²	61.9	56%	0.561	31%	0.307	S	S	*	.			trans	-112.8	-26.7	-176.1	-66.3	172.2	-174.5	162.6	0	113.5	E402 R435 F473	E402-K437 PolarHBondContact O-N 3.13Å; E402-K437 IonicContact OE2-NZ 3.68Å; E402-K437 PolarHBondContact OE2-NZ 3.34Å; R435-K437 PolarHBondContact O-N 2.74Å; K437-F473 WeakPolarHBondContact O-CD2 3.46Å; K437-F473 WeakPolarHBondContact O-CE2 3.27Å
438	K	91.1	Very high	80.6	Confident	29 Å²	29	60.1 Å²	60.1	13%	0.126	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	134.2	-175.1	-175.7	67.9	177.5	168.3	0	111.8	E402 V403 V404 Y440 G472 S475	E402-K438 PolarHBondContact O-N 2.94Å; V403-K438 WeakPolarHBondContact CA-O 3.48Å; V403-K438 HydrophobicContact CG1-CB 4.28Å; V403-K438 HydrophobicContact CG1-CG 4.44Å; V403-K438 HydrophobicContact CG2-CB 4.26Å; V404-K438 PolarHBondContact N-O 3.3Å; V404-K438 VanDerWaalsContact N-O 3.07Å; K438-Y440 HydrophobicContact CD-CE2 4.45Å; K438-Y440 HydrophobicContact CG-CD2 4.13Å; K438-Y440 HydrophobicContact CG-CE2 3.52Å; K438-G472 WeakPolarHBondContact CD-O 3.33Å; K438-G472 WeakPolarHBondContact CE-O 3.46Å; K438-G472 PolarHBondContact NZ-O 3.15Å; K438-S475 PolarHBondContact NZ-OG 3.49Å
439	I	92.6	Very high	80.5	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.7	175.1	-56	-179.8	0	0	0	109.1	V404 L406 L420 V423 L436 F441 F473 L474 S475	V404-I439 HydrophobicContact CG2-CB 4.23Å; V404-I439 HydrophobicContact CG2-CG1 3.88Å; V404-I439 HydrophobicContact CG2-CG2 4.08Å; L406-I439 HydrophobicContact CD1-CG2 3.72Å; L406-I439 HydrophobicContact CG-CG2 4.06Å; L420-I439 HydrophobicContact CD2-CD1 4.03Å; L420-I439 HydrophobicContact CD2-CG2 4.4Å; V423-I439 HydrophobicContact CG1-CD1 4.18Å; V423-I439 HydrophobicContact CG2-CD1 4.01Å; L436-I439 HydrophobicContact CD1-CG1 4.32Å; L436-I439 HydrophobicContact CD2-CD1 3.85Å; L436-I439 HydrophobicContact CD2-CG1 3.97Å; L436-I439 HydrophobicContact CG-CG1 4.28Å; I439-F441 HydrophobicContact CG2-CB 4.4Å; I439-F473 HydrophobicContact CD1-CE1 3.64Å; I439-F473 HydrophobicContact CD1-CZ 4.21Å; I439-F473 HydrophobicContact CG1-CE1 3.93Å; I439-F473 HydrophobicContact CG1-CZ 4.31Å; I439-F473 PolarHBondContact N-O 3.45Å; I439-L474 HydrophobicContact CB-CD1 3.8Å; I439-L474 HydrophobicContact CG2-CD1 3.62Å; I439-S475 PolarHBondContact O-N 2.93Å
440	Y	94.2	Very high	80.1	Confident	15 Å²	15	57.5 Å²	57.5	6%	0.059	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	110	164.6	-63.1	-91.5	0	0	0	108.5	V403 V404 M405 L406 K438 S475 I523 Q526 H527	V403-Y440 HydrophobicContact CG1-CD2 3.98Å; V403-Y440 HydrophobicContact CG1-CE2 3.74Å; V404-Y440 PolarHBondContact O-N 3.31Å; M405-Y440 CarbonylContact C-O 3.57Å; M405-Y440 VanDerWaalsContact CA-O 3.29Å; M405-Y440 WeakPolarHBondContact CA-O 3.46Å; L406-Y440 PolarHBondContact N-O 3.44Å; K438-Y440 HydrophobicContact CD-CE2 4.45Å; K438-Y440 HydrophobicContact CG-CD2 4.13Å; K438-Y440 HydrophobicContact CG-CE2 3.52Å; Y440-S475 CarbonylContact C-O 3.53Å; Y440-S475 WeakPolarHBondContact CA-O 3.48Å; Y440-I523 HydrophobicContact CD1-CD1 4.18Å; Y440-I523 HydrophobicContact CD1-CG1 4.24Å; Y440-I523 HydrophobicContact CD2-CD1 4.24Å; Y440-I523 HydrophobicContact CD2-CG1 4.43Å; Y440-I523 HydrophobicContact CD2-CG2 4.4Å; Y440-I523 HydrophobicContact CE1-CG1 4.09Å; Y440-I523 HydrophobicContact CE2-CG1 4.3Å; Y440-I523 HydrophobicContact CE2-CG2 4.03Å; Y440-I523 HydrophobicContact CG-CD1 4.03Å; Y440-I523 HydrophobicContact CG-CG1 4.41Å; Y440-Q526 PolarHBondContact OH-OE1 3.4Å; Y440-H527 AromaticContact CE2-NE2 3.63Å; Y440-H527 AromaticContact CZ-NE2 3.67Å; Y440-H527 PolarHBondContact OH-NE2 2.9Å
441	F	93.3	Very high	80.3	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.7	-177.7	176.7	-102.7	0	0	0	109.9	L406 V413 F416 L420 I439 W443 F454 L458 L474 S475 Y476 N477	L406-F441 HydrophobicContact CB-CD2 3.91Å; L406-F441 HydrophobicContact CD1-CD2 4.47Å; L406-F441 CarbonylContact O-C 3.59Å; L406-F441 WeakPolarHBondContact O-CA 3.45Å; V413-F441 HydrophobicContact CG2-CE2 4.02Å; V413-F441 HydrophobicContact CG2-CZ 3.54Å; F416-F441 HydrophobicContact CB-CD2 4.38Å; F416-F441 HydrophobicContact CB-CE2 3.82Å; F416-F441 HydrophobicContact CD2-CE2 4.1Å; F416-F441 HydrophobicContact CG-CE2 4.22Å; L420-F441 HydrophobicContact CD1-CD2 4.45Å; I439-F441 HydrophobicContact CG2-CB 4.4Å; F441-W443 HydrophobicContact CE1-CB 3.73Å; F441-W443 HydrophobicContact CZ-CB 3.88Å; F441-W443 HydrophobicContact CZ-CG 4.36Å; F441-F454 HydrophobicContact CE1-CD1 4.44Å; F441-F454 AromaticContact CE1-CE1 3.64Å; F441-F454 HydrophobicContact CE1-CE1 3.64Å; F441-F454 HydrophobicContact CE1-CZ 4.47Å; F441-F454 HydrophobicContact CE2-CE1 4.24Å; F441-F454 HydrophobicContact CE2-CZ 4.33Å; F441-F454 HydrophobicContact CZ-CD1 4.29Å; F441-F454 AromaticContact CZ-CE1 3.36Å; F441-F454 HydrophobicContact CZ-CE1 3.36Å; F441-F454 AromaticContact CZ-CZ 3.86Å; F441-F454 HydrophobicContact CZ-CZ 3.86Å; F441-L458 HydrophobicContact CD1-CD2 4.32Å; F441-L458 HydrophobicContact CE1-CD1 4.15Å; F441-L458 HydrophobicContact CE1-CD2 4.28Å; F441-L474 HydrophobicContact CB-CD1 4.1Å; F441-S475 PolarHBondContact N-O 3.28Å; F441-Y476 CarbonylContact O-C 3.54Å; F441-Y476 VanDerWaalsContact O-CA 3.22Å; F441-Y476 WeakPolarHBondContact O-CA 3.14Å; F441-N477 PolarHBondContact O-N 3.25Å
442	Y	93.2	Very high	80.7	Confident	1 Å²	1	53.5 Å²	53.5	0%	0.004	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.4	178.1	-65.4	-96.2	0	0	0	108.8	M405 L406 V407 G408 N477 Y479 W516 E519	M405-Y442 HydrophobicContact CG-CD2 3.71Å; M405-Y442 HydrophobicContact CG-CE2 3.58Å; M405-Y442 HydrophobicContact SD-CD2 4.16Å; M405-Y442 HydrophobicContact SD-CE2 3.73Å; L406-Y442 PolarHBondContact O-N 2.65Å; V407-Y442 CarbonylContact C-O 3.45Å; V407-Y442 WeakPolarHBondContact CA-O 3.47Å; V407-Y442 HydrophobicContact CG2-CD2 4.3Å; G408-Y442 PolarHBondContact N-O 3.43Å; Y442-N477 WeakPolarHBondContact CA-O 3.31Å; Y442-N477 HydrophobicContact CD1-CB 3.87Å; Y442-N477 HydrophobicContact CE1-CB 4.04Å; Y442-N477 WeakPolarHBondContact CE1-ND2 3.46Å; Y442-Y479 AromaticContact CD1-CE2 3.84Å; Y442-Y479 HydrophobicContact CD1-CE2 3.84Å; Y442-Y479 HydrophobicContact CE1-CE2 4.35Å; Y442-W516 HydrophobicContact CD1-CH2 4.15Å; Y442-W516 AromaticContact CD1-CZ3 3.98Å; Y442-W516 HydrophobicContact CD1-CZ3 3.98Å; Y442-W516 HydrophobicContact CD2-CZ3 4.3Å; Y442-W516 HydrophobicContact CE1-CZ3 4.31Å; Y442-W516 HydrophobicContact CG-CH2 4.03Å; Y442-W516 AromaticContact CG-CZ3 4Å; Y442-W516 HydrophobicContact CG-CZ3 4Å; Y442-E519 HydrophobicContact CE1-CG 4.11Å; Y442-E519 PolarHBondContact OH-OE2 3.31Å
443	W	91.1	Very high	81.5	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.6	176.1	-171.7	18.3	0	0	0	111.1	G408 G410 V413 F441 A450 F451 F454 N477 Y479	G408-W443 WeakPolarHBondContact O-CA 3.47Å; G410-W443 PolarHBondContact O-NE1 3.43Å; V413-W443 HydrophobicContact CB-CZ2 4.45Å; V413-W443 HydrophobicContact CG1-CZ2 3.9Å; V413-W443 HydrophobicContact CG2-CD2 4.33Å; V413-W443 HydrophobicContact CG2-CG 4.43Å; F441-W443 HydrophobicContact CE1-CB 3.73Å; F441-W443 HydrophobicContact CZ-CB 3.88Å; F441-W443 HydrophobicContact CZ-CG 4.36Å; W443-A450 WeakPolarHBondContact CH2-O 3.3Å; W443-A450 VanDerWaalsContact CZ2-O 3.28Å; W443-A450 WeakPolarHBondContact CZ2-O 3.4Å; W443-F451 AromaticContact CD2-CD1 3.86Å; W443-F451 HydrophobicContact CD2-CD1 3.86Å; W443-F451 AromaticContact CD2-CE1 3.94Å; W443-F451 HydrophobicContact CD2-CE1 3.94Å; W443-F451 AromaticContact CE3-CD1 3.57Å; W443-F451 HydrophobicContact CE3-CD1 3.57Å; W443-F451 HydrophobicContact CE3-CE1 4.02Å; W443-F451 HydrophobicContact CG-CE1 4.43Å; W443-F451 VanDerWaalsContact CH2-CA 3.41Å; W443-F451 HydrophobicContact CH2-CB 4.27Å; 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 3.93Å; W443-F451 HydrophobicContact CZ2-CD1 3.93Å; W443-F451 HydrophobicContact CZ2-CE1 4.5Å; W443-F451 HydrophobicContact CZ3-CB 4.21Å; W443-F451 AromaticContact CZ3-CD1 3.49Å; W443-F451 HydrophobicContact CZ3-CD1 3.49Å; W443-F451 VanDerWaalsContact CZ3-CD1 3.49Å; W443-F451 HydrophobicContact CZ3-CE1 4.37Å; W443-F451 HydrophobicContact CZ3-CG 4.32Å; W443-F454 AromaticContact CE3-CD1 3.88Å; W443-F454 HydrophobicContact CE3-CD1 3.88Å; W443-F454 HydrophobicContact CH2-CB 3.39Å; W443-F454 HydrophobicContact CH2-CD1 4.15Å; W443-F454 HydrophobicContact CH2-CG 4.09Å; W443-F454 HydrophobicContact CZ2-CB 4.31Å; W443-F454 HydrophobicContact CZ3-CB 3.58Å; W443-F454 AromaticContact CZ3-CD1 3.62Å; W443-F454 HydrophobicContact CZ3-CD1 3.62Å; W443-F454 HydrophobicContact CZ3-CG 4Å; W443-N477 PolarHBondContact N-O 3.3Å; W443-Y479 PolarHBondContact O-N 3.37Å
444	L	90.7	Very high	82.1	Confident	16 Å²	16	41.7 Å²	41.7	8%	0.084	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	120.1	178.7	-59	91.5	0	0	0	109.6	V407 G408 A409 G410 T481 P514 W516 L542	V407-L444 HydrophobicContact CG1-CD1 3.56Å; G408-L444 PolarHBondContact O-N 2.91Å; A409-L444 CarbonylContact C-O 3.55Å; A409-L444 VanDerWaalsContact CA-O 3.29Å; A409-L444 WeakPolarHBondContact CA-O 3.25Å; G410-L444 PolarHBondContact N-O 2.98Å; L444-T481 HydrophobicContact CB-CG2 4.48Å; L444-T481 HydrophobicContact CD2-CG2 4.44Å; L444-P514 HydrophobicContact CD2-CG 3.84Å; L444-P514 HydrophobicContact CG-CG 4.32Å; L444-W516 HydrophobicContact CD1-CH2 4.21Å; L444-W516 HydrophobicContact CD1-CZ2 4.05Å; L444-W516 HydrophobicContact CD2-CZ2 4.17Å; L444-L542 HydrophobicContact CD1-CD2 4.34Å
445	C	86.1	Confident	82.3	Confident	7 Å²	7	39.5 Å²	39.5	5%	0.047	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	160.4	172.6	-157.6	0	0	0	0	112	D447 A450 F451 Y479 T481	C445-D447 PolarHBondContact SG-O 3.38Å; C445-A450 WeakPolarHBondContact SG-CB 3.31Å; C445-F451 HydrophobicContact CB-CD1 4.24Å; C445-F451 HydrophobicContact CB-CE1 3.38Å; C445-F451 HydrophobicContact CB-CE2 4.22Å; C445-F451 HydrophobicContact CB-CZ 3.38Å; C445-Y479 PolarHBondContact N-O 3.45Å; C445-T481 PolarHBondContact O-N 2.88Å; C445-T481 PolarHBondContact O-OG1 2.83Å
446	R	82.9	Confident	81.9	Confident	193 Å²	193	38.5 Å²	38.5	73%	0.728	18%	0.177	S	C	*	.	S	Bend	trans	-99.8	-18.1	172.9	-72	-176.5	67	119.5	3.9	113	T481	R446-T481 VanDerWaalsContact CG-OG1 3.28Å; R446-T481 WeakPolarHBondContact CG-OG1 3.28Å
447	D	77.6	Confident	81.6	Confident	54 Å²	54	39.4 Å²	39.4	29%	0.289	18%	0.182	S	C	.	.			trans	-126.5	139.2	-173.4	-161.6	-50.3	0	0	0	108.7	F305 C445 H449	F305-D447 HydrophobicContact CE2-CB 3.79Å; F305-D447 VanDerWaalsContact CE2-CG 3.44Å; F305-D447 WeakPolarHBondContact CE2-OD2 3.48Å; F305-D447 HydrophobicContact CZ-CB 3.83Å; C445-D447 PolarHBondContact SG-O 3.38Å; D447-H449 IonicContact OD1-CG 3.08Å; D447-H449 PolarHBondContact OD1-N 2.91Å; D447-H449 IonicContact OD1-ND1 2.77Å; D447-H449 PolarHBondContact OD1-ND1 2.84Å
448	T	72.4	Confident	81.4	Confident	24 Å²	24	33.2 Å²	33.2	15%	0.147	16%	0.155	C	C	.	.	S	Bend	trans	-71.2	-35.9	-178.7	50.4	0	0	0	0	112.1	A450 F451 L480 I502	T448-A450 PolarHBondContact O-N 3.41Å; T448-F451 WeakPolarHBondContact O-CB 3.25Å; T448-F451 VanDerWaalsContact O-CD2 3.29Å; T448-F451 WeakPolarHBondContact O-CD2 3.32Å; T448-F451 PolarHBondContact O-N 3.4Å; T448-L480 HydrophobicContact CG2-CD1 4.04Å; T448-L480 HydrophobicContact CG2-CD2 3.79Å; T448-I502 HydrophobicContact CG2-CD1 4.09Å; T448-I502 HydrophobicContact CG2-CG2 4.33Å
449	H	71.5	Confident	80.9	Confident	96 Å²	96	35.5 Å²	35.5	44%	0.444	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-68.9	-19.7	-178.1	-57.7	91.4	0	0	0	113	F305 D447 F451 E452	F305-H449 HydrophobicContact CB-CB 4.09Å; F305-H449 HydrophobicContact CD2-CB 4.07Å; F305-H449 HydrophobicContact CG-CB 4.41Å; D447-H449 IonicContact OD1-CG 3.08Å; D447-H449 PolarHBondContact OD1-N 2.91Å; D447-H449 IonicContact OD1-ND1 2.77Å; D447-H449 PolarHBondContact OD1-ND1 2.84Å; H449-F451 PolarHBondContact O-N 3.49Å; H449-E452 IonicContact CD2-OE1 3.71Å
450	A	69.5	Low	80.3	Confident	6 Å²	6	39.7 Å²	39.7	5%	0.05	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-68.7	-16.9	175.1	0	0	0	0	0	112.4	F305 W443 C445 T448	F305-A450 HydrophobicContact CD1-CB 3.84Å; F305-A450 HydrophobicContact CE1-CB 3.95Å; F305-A450 HydrophobicContact CG-CB 4.35Å; W443-A450 WeakPolarHBondContact CH2-O 3.3Å; W443-A450 VanDerWaalsContact CZ2-O 3.28Å; W443-A450 WeakPolarHBondContact CZ2-O 3.4Å; C445-A450 WeakPolarHBondContact SG-CB 3.31Å; T448-A450 PolarHBondContact O-N 3.41Å
451	F	68.6	Low	79.7	Confident	1 Å²	1	39.1 Å²	39.1	0%	0.004	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-77.5	-26.2	-179.2	-61.8	-54.7	0	0	0	113.8	W443 C445 T448 H449 W453 F454 A455 I478 L480 I502 T503	W443-F451 AromaticContact CD2-CD1 3.86Å; W443-F451 HydrophobicContact CD2-CD1 3.86Å; W443-F451 AromaticContact CD2-CE1 3.94Å; W443-F451 HydrophobicContact CD2-CE1 3.94Å; W443-F451 AromaticContact CE3-CD1 3.57Å; W443-F451 HydrophobicContact CE3-CD1 3.57Å; W443-F451 HydrophobicContact CE3-CE1 4.02Å; W443-F451 HydrophobicContact CG-CE1 4.43Å; W443-F451 VanDerWaalsContact CH2-CA 3.41Å; W443-F451 HydrophobicContact CH2-CB 4.27Å; 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 3.93Å; W443-F451 HydrophobicContact CZ2-CD1 3.93Å; W443-F451 HydrophobicContact CZ2-CE1 4.5Å; W443-F451 HydrophobicContact CZ3-CB 4.21Å; W443-F451 AromaticContact CZ3-CD1 3.49Å; W443-F451 HydrophobicContact CZ3-CD1 3.49Å; W443-F451 VanDerWaalsContact CZ3-CD1 3.49Å; W443-F451 HydrophobicContact CZ3-CE1 4.37Å; W443-F451 HydrophobicContact CZ3-CG 4.32Å; C445-F451 HydrophobicContact CB-CD1 4.24Å; C445-F451 HydrophobicContact CB-CE1 3.38Å; C445-F451 HydrophobicContact CB-CE2 4.22Å; C445-F451 HydrophobicContact CB-CZ 3.38Å; T448-F451 WeakPolarHBondContact O-CB 3.25Å; T448-F451 VanDerWaalsContact O-CD2 3.29Å; T448-F451 WeakPolarHBondContact O-CD2 3.32Å; T448-F451 PolarHBondContact O-N 3.4Å; H449-F451 PolarHBondContact O-N 3.49Å; F451-W453 PolarHBondContact O-N 2.8Å; F451-F454 PolarHBondContact O-N 3.42Å; F451-A455 VanDerWaalsContact O-CB 3.27Å; F451-A455 WeakPolarHBondContact O-CB 3.19Å; F451-A455 PolarHBondContact O-N 3.45Å; F451-I478 HydrophobicContact CD1-CG2 3.76Å; F451-I478 HydrophobicContact CE1-CG2 3.25Å; F451-I478 HydrophobicContact CE2-CG2 4.2Å; F451-I478 HydrophobicContact CG-CG2 4.43Å; F451-I478 HydrophobicContact CZ-CG2 3.5Å; F451-L480 HydrophobicContact CE2-CB 4.5Å; F451-L480 HydrophobicContact CE2-CD1 3.98Å; F451-L480 HydrophobicContact CZ-CD1 4.44Å; F451-I502 HydrophobicContact CD2-CG2 4.11Å; F451-T503 HydrophobicContact CB-CG2 3.91Å; F451-T503 HydrophobicContact CG-CG2 4.26Å
452	E	70.8	Confident	79	Confident	85 Å²	85	41.4 Å²	41.4	40%	0.397	20%	0.197	S	C	.	.	H	α-helix	trans	-59.7	-52.4	-167.7	-68.5	172.6	-161	0	0	113.2	P304 H449 F454 A455	P304-E452 WeakPolarHBondContact CB-OE2 3.35Å; P304-E452 HydrophobicContact CG-CB 4.36Å; P304-E452 WeakPolarHBondContact CG-OE2 3.45Å; H449-E452 IonicContact CD2-OE1 3.71Å; E452-F454 PolarHBondContact O-N 3.33Å; E452-F454 VanDerWaalsContact O-N 3.16Å; E452-A455 PolarHBondContact O-N 2.94Å
453	W	70.8	Confident	78.4	Confident	29 Å²	29	43.5 Å²	43.5	11%	0.11	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-23.4	-173.8	77.8	-87.3	0	0	0	114.6	H303 H354 V413 T414 A417 F451	H303-W453 HydrophobicContact CB-CB 4.16Å; H354-W453 AromaticContact CD2-CE3 3.58Å; H354-W453 AromaticContact CD2-CZ3 3.64Å; H354-W453 AromaticContact NE2-CE3 3.5Å; H354-W453 AromaticContact NE2-CZ3 3.57Å; V413-W453 HydrophobicContact CG1-CH2 4.16Å; V413-W453 HydrophobicContact CG1-CZ2 3.51Å; T414-W453 HydrophobicContact CG2-CH2 4.11Å; T414-W453 HydrophobicContact CG2-CZ2 4.17Å; A417-W453 HydrophobicContact CB-CH2 4.37Å; A417-W453 HydrophobicContact CB-CZ3 4.49Å; F451-W453 PolarHBondContact O-N 2.8Å
454	F	75.8	Confident	77.7	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-103	-20.4	-176.9	-166.2	-100.5	0	0	0	112.4	V413 A417 L420 F441 W443 F451 E452 D456 L457 L458	V413-F454 HydrophobicContact CG1-CD2 4.47Å; V413-F454 HydrophobicContact CG2-CD1 3.88Å; V413-F454 HydrophobicContact CG2-CD2 4.02Å; V413-F454 HydrophobicContact CG2-CE1 3.6Å; V413-F454 HydrophobicContact CG2-CE2 3.73Å; V413-F454 HydrophobicContact CG2-CG 4.07Å; V413-F454 HydrophobicContact CG2-CZ 3.5Å; A417-F454 HydrophobicContact CB-CD2 4.24Å; A417-F454 HydrophobicContact CB-CE2 3.59Å; L420-F454 HydrophobicContact CD1-CE1 4.38Å; L420-F454 HydrophobicContact CD1-CZ 3.88Å; F441-F454 HydrophobicContact CE1-CD1 4.44Å; F441-F454 AromaticContact CE1-CE1 3.64Å; F441-F454 HydrophobicContact CE1-CE1 3.64Å; F441-F454 HydrophobicContact CE1-CZ 4.47Å; F441-F454 HydrophobicContact CE2-CE1 4.24Å; F441-F454 HydrophobicContact CE2-CZ 4.33Å; F441-F454 HydrophobicContact CZ-CD1 4.29Å; F441-F454 AromaticContact CZ-CE1 3.36Å; F441-F454 HydrophobicContact CZ-CE1 3.36Å; F441-F454 AromaticContact CZ-CZ 3.86Å; F441-F454 HydrophobicContact CZ-CZ 3.86Å; W443-F454 AromaticContact CE3-CD1 3.88Å; W443-F454 HydrophobicContact CE3-CD1 3.88Å; W443-F454 HydrophobicContact CH2-CB 3.39Å; W443-F454 HydrophobicContact CH2-CD1 4.15Å; W443-F454 HydrophobicContact CH2-CG 4.09Å; W443-F454 HydrophobicContact CZ2-CB 4.31Å; W443-F454 HydrophobicContact CZ3-CB 3.58Å; W443-F454 AromaticContact CZ3-CD1 3.62Å; W443-F454 HydrophobicContact CZ3-CD1 3.62Å; W443-F454 HydrophobicContact CZ3-CG 4Å; F451-F454 PolarHBondContact O-N 3.42Å; E452-F454 PolarHBondContact O-N 3.33Å; E452-F454 VanDerWaalsContact O-N 3.16Å; F454-D456 VanDerWaalsContact C-N 3.29Å; F454-D456 PolarHBondContact O-N 2.86Å; F454-L457 HydrophobicContact CD2-CD2 4.23Å; F454-L457 HydrophobicContact CE2-CD2 3.78Å; F454-L457 HydrophobicContact CZ-CD2 4.3Å; F454-L457 PolarHBondContact O-N 2.73Å; F454-L458 HydrophobicContact CD1-CD1 3.78Å; F454-L458 HydrophobicContact CD1-CD2 4.45Å; F454-L458 HydrophobicContact CD1-CG 3.85Å; F454-L458 HydrophobicContact CE1-CD1 3.87Å; F454-L458 HydrophobicContact CE1-CD2 3.82Å; F454-L458 HydrophobicContact CE1-CG 3.73Å; F454-L458 PolarHBondContact O-N 3.34Å
455	A	76.4	Confident	77.1	Confident	4 Å²	4	45.3 Å²	45.3	3%	0.033	22%	0.22	C	C	.	.	H	α-helix	trans	-58.9	-42.2	175.5	0	0	0	0	0	111.1	F451 E452 L457 L458 Q459	F451-A455 VanDerWaalsContact O-CB 3.27Å; F451-A455 WeakPolarHBondContact O-CB 3.19Å; F451-A455 PolarHBondContact O-N 3.45Å; E452-A455 PolarHBondContact O-N 2.94Å; A455-L457 VanDerWaalsContact C-N 3.27Å; A455-L457 PolarHBondContact O-N 3.36Å; A455-L458 PolarHBondContact O-N 2.91Å; A455-Q459 WeakPolarHBondContact O-CB 3.27Å; A455-Q459 PolarHBondContact O-N 3.42Å
456	D	77.1	Confident	76.7	Confident	112 Å²	112	50.1 Å²	50.1	60%	0.599	24%	0.241	S	C	*	.	H	α-helix	trans	-55.7	-42.2	177	-67.9	-16.2	0	0	0	112.4	F454 Q459 L460	F454-D456 VanDerWaalsContact C-N 3.29Å; F454-D456 PolarHBondContact O-N 2.86Å; D456-Q459 PolarHBondContact O-N 3.42Å; D456-L460 WeakPolarHBondContact O-CB 3.07Å; D456-L460 PolarHBondContact O-N 2.94Å
457	L	80.8	Confident	76.6	Confident	25 Å²	25	47.3 Å²	47.3	13%	0.131	24%	0.237	C	C	.	.	H	α-helix	trans	-66.2	-42.5	177.3	178.1	62.7	0	0	0	111.3	A417 K421 F454 A455 L460 L461	A417-L457 HydrophobicContact CB-CD2 4.28Å; K421-L457 HydrophobicContact CG-CD1 3.67Å; K421-L457 HydrophobicContact CG-CD2 4.03Å; F454-L457 HydrophobicContact CD2-CD2 4.23Å; F454-L457 HydrophobicContact CE2-CD2 3.78Å; F454-L457 HydrophobicContact CZ-CD2 4.3Å; F454-L457 PolarHBondContact O-N 2.73Å; A455-L457 VanDerWaalsContact C-N 3.27Å; A455-L457 PolarHBondContact O-N 3.36Å; L457-L460 PolarHBondContact O-N 3.14Å; L457-L461 HydrophobicContact CD1-CD1 4.26Å; L457-L461 HydrophobicContact CD1-CG 4.43Å; L457-L461 HydrophobicContact CG-CD1 4.06Å; L457-L461 WeakPolarHBondContact O-CD1 3.49Å; L457-L461 WeakPolarHBondContact O-CG 3.34Å; L457-L461 PolarHBondContact O-N 3.1Å
458	L	82.8	Confident	76.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-40.5	178.2	-69.4	176.4	0	0	0	111.9	L420 F441 F454 A455 L461 E462 Y476 I478 L505	L420-L458 HydrophobicContact CD1-CD2 4.01Å; F441-L458 HydrophobicContact CD1-CD2 4.32Å; F441-L458 HydrophobicContact CE1-CD1 4.15Å; F441-L458 HydrophobicContact CE1-CD2 4.28Å; F454-L458 HydrophobicContact CD1-CD1 3.78Å; F454-L458 HydrophobicContact CD1-CD2 4.45Å; F454-L458 HydrophobicContact CD1-CG 3.85Å; F454-L458 HydrophobicContact CE1-CD1 3.87Å; F454-L458 HydrophobicContact CE1-CD2 3.82Å; F454-L458 HydrophobicContact CE1-CG 3.73Å; F454-L458 PolarHBondContact O-N 3.34Å; A455-L458 PolarHBondContact O-N 2.91Å; L458-L461 PolarHBondContact O-N 3.14Å; L458-E462 WeakPolarHBondContact O-CB 2.91Å; L458-E462 PolarHBondContact O-N 3.32Å; L458-Y476 HydrophobicContact CD1-CD2 4.41Å; L458-I478 HydrophobicContact CD1-CD1 4.2Å; L458-L505 HydrophobicContact CB-CD1 4.05Å; L458-L505 HydrophobicContact CB-CD2 4Å; L458-L505 HydrophobicContact CD1-CD1 3.99Å
459	Q	80.8	Confident	76.7	Confident	77 Å²	77	56.3 Å²	56.3	36%	0.36	28%	0.276	S	S	.	.	H	α-helix	trans	-65.1	-41.8	178.5	-166.5	178.1	24.9	0	0	111.3	A455 D456 E462 S463 L505	A455-Q459 WeakPolarHBondContact O-CB 3.27Å; A455-Q459 PolarHBondContact O-N 3.42Å; D456-Q459 PolarHBondContact O-N 3.42Å; Q459-E462 PolarHBondContact O-N 2.9Å; Q459-S463 PolarHBondContact O-N 2.68Å; Q459-S463 PolarHBondContact O-OG 2.84Å; Q459-S463 VanDerWaalsContact O-OG 3.08Å; Q459-L505 HydrophobicContact CB-CD2 3.69Å; Q459-L505 HydrophobicContact CG-CD2 4.29Å
460	L	80.8	Confident	76.9	Confident	88 Å²	88	53.9 Å²	53.9	46%	0.461	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-44.5	173.9	-177.6	65.9	0	0	0	111.3	D456 L457 S463 Q464	D456-L460 WeakPolarHBondContact O-CB 3.07Å; D456-L460 PolarHBondContact O-N 2.94Å; L457-L460 PolarHBondContact O-N 3.14Å; L460-S463 PolarHBondContact O-OG 2.92Å; L460-Q464 HydrophobicContact CD1-CG 4.3Å; L460-Q464 WeakPolarHBondContact O-CB 3.3Å; L460-Q464 WeakPolarHBondContact O-CG 3.32Å; L460-Q464 PolarHBondContact O-N 3.06Å
461	L	80	Confident	77.1	Confident	3 Å²	3	56.8 Å²	56.8	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-64.3	-42.2	178.3	-70.8	166.7	0	0	0	112.3	L420 W424 L457 L458 M465 L474	L420-L461 HydrophobicContact CB-CD1 3.72Å; L420-L461 HydrophobicContact CD1-CD1 4.12Å; L420-L461 HydrophobicContact CG-CD1 4.38Å; W424-L461 HydrophobicContact CB-CD2 3.58Å; W424-L461 HydrophobicContact CD2-CD2 4.35Å; W424-L461 HydrophobicContact CE3-CD2 4.32Å; W424-L461 HydrophobicContact CG-CD2 4.08Å; L457-L461 HydrophobicContact CD1-CD1 4.26Å; L457-L461 HydrophobicContact CD1-CG 4.43Å; L457-L461 HydrophobicContact CG-CD1 4.06Å; L457-L461 WeakPolarHBondContact O-CD1 3.49Å; L457-L461 WeakPolarHBondContact O-CG 3.34Å; L457-L461 PolarHBondContact O-N 3.1Å; L458-L461 PolarHBondContact O-N 3.14Å; L461-M465 WeakPolarHBondContact O-CB 3.38Å; L461-M465 VanDerWaalsContact O-CG 3.25Å; L461-M465 WeakPolarHBondContact O-CG 3.35Å; L461-M465 PolarHBondContact O-N 2.9Å; L461-L474 HydrophobicContact CB-CD2 4.2Å; L461-L474 HydrophobicContact CD1-CD2 4.26Å
462	E	79.4	Confident	77.5	Confident	47 Å²	47	59 Å²	59	22%	0.22	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-52.3	-179.7	177.7	170.4	-120.6	0	0	112	L458 Q459 Q464 M465 Q466 Y476 K506	L458-E462 WeakPolarHBondContact O-CB 2.91Å; L458-E462 PolarHBondContact O-N 3.32Å; Q459-E462 PolarHBondContact O-N 2.9Å; E462-Q464 VanDerWaalsContact C-N 3.28Å; E462-Q464 PolarHBondContact O-N 2.82Å; E462-M465 PolarHBondContact O-N 3.38Å; E462-Q466 WeakPolarHBondContact O-CB 3.18Å; E462-Q466 PolarHBondContact O-N 3.41Å; E462-Y476 HydrophobicContact CB-CE1 4.46Å; E462-Y476 PolarHBondContact OE1-OH 3.35Å; E462-Y476 PolarHBondContact OE2-OH 3.18Å; E462-K506 WeakPolarHBondContact OE1-CB 3.29Å
463	S	80.9	Confident	78.2	Confident	46 Å²	46	55.4 Å²	55.4	32%	0.322	30%	0.297	S	S	.	.	H	α-helix	trans	-56.3	-45.1	-179.4	55.6	0	0	0	0	111.5	Q459 L460 Q466 E467	Q459-S463 PolarHBondContact O-N 2.68Å; Q459-S463 PolarHBondContact O-OG 2.84Å; Q459-S463 VanDerWaalsContact O-OG 3.08Å; L460-S463 PolarHBondContact O-OG 2.92Å; S463-Q466 WeakPolarHBondContact O-CB 3.39Å; S463-Q466 PolarHBondContact O-N 3.29Å; S463-E467 WeakPolarHBondContact O-CG 3.45Å; S463-E467 PolarHBondContact O-N 3.02Å
464	Q	77.2	Confident	79	Confident	46 Å²	46	54.7 Å²	54.7	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-75.3	-34.2	-176.7	-64.9	-66.9	-64.8	0	0	113.8	W424 L460 E462 Q466 E467 R468	W424-Q464 HydrophobicContact CE3-CB 4.18Å; W424-Q464 HydrophobicContact CH2-CB 3.19Å; W424-Q464 HydrophobicContact CH2-CG 3.36Å; W424-Q464 VanDerWaalsContact CH2-OE1 3.23Å; W424-Q464 HydrophobicContact CZ2-CB 4.15Å; W424-Q464 HydrophobicContact CZ2-CG 3.87Å; W424-Q464 HydrophobicContact CZ3-CB 3.19Å; W424-Q464 HydrophobicContact CZ3-CG 3.88Å; L460-Q464 HydrophobicContact CD1-CG 4.3Å; L460-Q464 WeakPolarHBondContact O-CB 3.3Å; L460-Q464 WeakPolarHBondContact O-CG 3.32Å; L460-Q464 PolarHBondContact O-N 3.06Å; E462-Q464 VanDerWaalsContact C-N 3.28Å; E462-Q464 PolarHBondContact O-N 2.82Å; Q464-Q466 VanDerWaalsContact C-N 3.27Å; Q464-Q466 PolarHBondContact O-N 2.86Å; Q464-E467 VanDerWaalsContact NE2-CD 3.31Å; Q464-E467 PolarHBondContact NE2-OE1 3.36Å; Q464-E467 PolarHBondContact NE2-OE2 3.04Å; Q464-E467 PolarHBondContact O-N 3.19Å; Q464-E467 PolarHBondContact OE1-OE2 3.29Å; Q464-R468 PolarHBondContact O-N 3.48Å
465	M	76.9	Confident	79.6	Confident	8 Å²	8	56.7 Å²	56.7	4%	0.039	31%	0.309	C	S	.	.	H	α-helix	trans	-66.7	-33.4	172.8	-76.9	-175.5	173.8	0	0	111.8	L461 E462 R468 N469 N470 A471 F473 L474	L461-M465 WeakPolarHBondContact O-CB 3.38Å; L461-M465 VanDerWaalsContact O-CG 3.25Å; L461-M465 WeakPolarHBondContact O-CG 3.35Å; L461-M465 PolarHBondContact O-N 2.9Å; E462-M465 PolarHBondContact O-N 3.38Å; M465-R468 PolarHBondContact O-N 3.01Å; M465-N469 PolarHBondContact O-N 3.38Å; M465-N470 CarbonylContact O-C 3.57Å; M465-N470 PolarHBondContact O-N 3.42Å; M465-A471 PolarHBondContact O-N 3.47Å; M465-F473 HydrophobicContact CE-CB 4.41Å; M465-F473 HydrophobicContact CE-CD1 3.29Å; M465-F473 HydrophobicContact CE-CE1 3.85Å; M465-F473 HydrophobicContact CE-CG 4.15Å; M465-F473 HydrophobicContact SD-CB 4.1Å; M465-F473 HydrophobicContact SD-CD1 3.95Å; M465-F473 HydrophobicContact SD-CG 4.47Å; M465-L474 HydrophobicContact CE-CB 4.19Å; M465-L474 HydrophobicContact SD-CB 3.61Å
466	Q	78.8	Confident	80.1	Confident	108 Å²	108	57 Å²	57	51%	0.505	31%	0.309	S	S	.	.	H	α-helix	trans	-68	-44.5	174.8	-172.1	173.5	-13.3	0	0	111.7	E462 S463 Q464 R468 N469	E462-Q466 WeakPolarHBondContact O-CB 3.18Å; E462-Q466 PolarHBondContact O-N 3.41Å; S463-Q466 WeakPolarHBondContact O-CB 3.39Å; S463-Q466 PolarHBondContact O-N 3.29Å; Q464-Q466 VanDerWaalsContact C-N 3.27Å; Q464-Q466 PolarHBondContact O-N 2.86Å; Q466-R468 PolarHBondContact O-N 3.12Å; Q466-R468 VanDerWaalsContact O-N 3.13Å; Q466-N469 PolarHBondContact O-N 3.48Å
467	E	80	Confident	80.6	Confident	135 Å²	135	52.8 Å²	52.8	63%	0.631	29%	0.287	S	S	*	.	H	α-helix	trans	-56	-29.5	175.6	-75.9	173	-165.6	0	0	113.1	S463 Q464	S463-E467 WeakPolarHBondContact O-CG 3.45Å; S463-E467 PolarHBondContact O-N 3.02Å; Q464-E467 VanDerWaalsContact NE2-CD 3.31Å; Q464-E467 PolarHBondContact NE2-OE1 3.36Å; Q464-E467 PolarHBondContact NE2-OE2 3.04Å; Q464-E467 PolarHBondContact O-N 3.19Å; Q464-E467 PolarHBondContact OE1-OE2 3.29Å
468	R	74.9	Confident	81	Confident	105 Å²	105	51.7 Å²	51.7	40%	0.396	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.8	15	179.8	-64.7	-172.7	175.3	-149.9	-0.1	114.4	Y427 Q464 M465 Q466 N470	Y427-R468 HydrophobicContact CE1-CB 4.24Å; Y427-R468 PolarHBondContact O-NH1 2.96Å; Q464-R468 PolarHBondContact O-N 3.48Å; M465-R468 PolarHBondContact O-N 3.01Å; Q466-R468 PolarHBondContact O-N 3.12Å; Q466-R468 VanDerWaalsContact O-N 3.13Å; R468-N470 PolarHBondContact O-N 3.43Å
469	N	76.6	Confident	81.2	Confident	162 Å²	162	52.4 Å²	52.4	87%	0.866	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	28.7	-178.2	-74	-28.6	0	0	0	114.7	M465 Q466	M465-N469 PolarHBondContact O-N 3.38Å; Q466-N469 PolarHBondContact O-N 3.48Å
470	N	77	Confident	81.4	Confident	45 Å²	45	48.7 Å²	48.7	24%	0.241	27%	0.267	C	S	.	.			trans	-122.7	38.3	178.5	-162.8	17.5	0	0	0	112.1	Y427 M465 R468 G472 F473	Y427-N470 WeakPolarHBondContact OH-CB 3.22Å; Y427-N470 PolarHBondContact OH-ND2 2.99Å; M465-N470 CarbonylContact O-C 3.57Å; M465-N470 PolarHBondContact O-N 3.42Å; R468-N470 PolarHBondContact O-N 3.43Å; N470-G472 PolarHBondContact O-N 2.98Å; N470-F473 WeakPolarHBondContact O-CB 3.41Å; N470-F473 PolarHBondContact O-N 2.91Å
471	A	71.9	Confident	81.7	Confident	66 Å²	66	46.6 Å²	46.6	55%	0.545	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.3	178.4	0	0	0	0	0	113	M465 F473	M465-A471 PolarHBondContact O-N 3.47Å; A471-F473 VanDerWaalsContact C-N 3.3Å; A471-F473 PolarHBondContact O-N 2.95Å
472	G	78.5	Confident	81.5	Confident	49 Å²	49	47.5 Å²	47.5	51%	0.505	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-0.9	176.9	0	0	0	0	0	115.4	K438 N470	K438-G472 WeakPolarHBondContact CD-O 3.33Å; K438-G472 WeakPolarHBondContact CE-O 3.46Å; K438-G472 PolarHBondContact NZ-O 3.15Å; N470-G472 PolarHBondContact O-N 2.98Å
473	F	84.4	Confident	81	Confident	8 Å²	8	51.4 Å²	51.4	4%	0.035	28%	0.28	C	S	.	.	S	Bend	trans	-77.8	-42.7	-175.5	-178.7	-87.4	0	0	0	113.8	V423 L436 K437 I439 M465 N470 A471	V423-F473 HydrophobicContact CG1-CE1 3.51Å; V423-F473 HydrophobicContact CG1-CZ 3.88Å; L436-F473 HydrophobicContact CD2-CZ 4.42Å; L436-F473 HydrophobicContact CG-CZ 4.28Å; L436-F473 WeakPolarHBondContact O-CE2 3.48Å; K437-F473 WeakPolarHBondContact O-CD2 3.46Å; K437-F473 WeakPolarHBondContact O-CE2 3.27Å; I439-F473 HydrophobicContact CD1-CE1 3.64Å; I439-F473 HydrophobicContact CD1-CZ 4.21Å; I439-F473 HydrophobicContact CG1-CE1 3.93Å; I439-F473 HydrophobicContact CG1-CZ 4.31Å; I439-F473 PolarHBondContact N-O 3.45Å; M465-F473 HydrophobicContact CE-CB 4.41Å; M465-F473 HydrophobicContact CE-CD1 3.29Å; M465-F473 HydrophobicContact CE-CE1 3.85Å; M465-F473 HydrophobicContact CE-CG 4.15Å; M465-F473 HydrophobicContact SD-CB 4.1Å; M465-F473 HydrophobicContact SD-CD1 3.95Å; M465-F473 HydrophobicContact SD-CG 4.47Å; N470-F473 WeakPolarHBondContact O-CB 3.41Å; N470-F473 PolarHBondContact O-N 2.91Å; A471-F473 VanDerWaalsContact C-N 3.3Å; A471-F473 PolarHBondContact O-N 2.95Å
474	L	87.8	Confident	80.2	Confident	14 Å²	14	53.9 Å²	53.9	7%	0.073	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	119.3	179.3	177.8	63.3	0	0	0	109.1	L420 I439 F441 L461 M465 Y476	L420-L474 HydrophobicContact CD2-CD1 3.89Å; L420-L474 HydrophobicContact CD2-CD2 4.36Å; I439-L474 HydrophobicContact CB-CD1 3.8Å; I439-L474 HydrophobicContact CG2-CD1 3.62Å; F441-L474 HydrophobicContact CB-CD1 4.1Å; L461-L474 HydrophobicContact CB-CD2 4.2Å; L461-L474 HydrophobicContact CD1-CD2 4.26Å; M465-L474 HydrophobicContact CE-CB 4.19Å; M465-L474 HydrophobicContact SD-CB 3.61Å; L474-Y476 HydrophobicContact CG-CD1 4.38Å
475	S	88.2	Confident	79.6	Confident	42 Å²	42	58.7 Å²	58.7	29%	0.294	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.5	167.1	-69.8	0	0	0	0	107.9	K438 I439 Y440 F441	K438-S475 PolarHBondContact NZ-OG 3.49Å; I439-S475 PolarHBondContact O-N 2.93Å; Y440-S475 CarbonylContact C-O 3.53Å; Y440-S475 WeakPolarHBondContact CA-O 3.48Å; F441-S475 PolarHBondContact N-O 3.28Å
476	Y	87.3	Confident	79	Confident	11 Å²	11	61.8 Å²	61.8	4%	0.043	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.8	177.2	57.8	-87.1	0	0	0	110.5	F441 L458 E462 L474 I478 L505 Q507	F441-Y476 CarbonylContact O-C 3.54Å; F441-Y476 VanDerWaalsContact O-CA 3.22Å; F441-Y476 WeakPolarHBondContact O-CA 3.14Å; L458-Y476 HydrophobicContact CD1-CD2 4.41Å; E462-Y476 HydrophobicContact CB-CE1 4.46Å; E462-Y476 PolarHBondContact OE1-OH 3.35Å; E462-Y476 PolarHBondContact OE2-OH 3.18Å; L474-Y476 HydrophobicContact CG-CD1 4.38Å; Y476-I478 HydrophobicContact CD2-CD1 4.38Å; Y476-I478 HydrophobicContact CD2-CG1 4.39Å; Y476-L505 HydrophobicContact CD2-CD1 4.3Å; Y476-L505 HydrophobicContact CE2-CB 4.01Å; Y476-L505 HydrophobicContact CE2-CD1 3.68Å; Y476-L505 HydrophobicContact CE2-CG 4.29Å; Y476-Q507 HydrophobicContact CD2-CB 4.08Å; Y476-Q507 HydrophobicContact CE2-CB 3.45Å; Y476-Q507 VanDerWaalsContact CE2-CB 3.45Å; Y476-Q507 HydrophobicContact CE2-CG 4.44Å; Y476-Q507 WeakPolarHBondContact O-CG 3.21Å; Y476-Q507 PolarHBondContact OH-N 3.17Å
477	N	88.6	Confident	78.3	Confident	24 Å²	24	60 Å²	60	13%	0.128	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.4	176	-64.5	-58.3	0	0	0	108.6	F441 Y442 W443 Y479	F441-N477 PolarHBondContact O-N 3.25Å; Y442-N477 WeakPolarHBondContact CA-O 3.31Å; Y442-N477 HydrophobicContact CD1-CB 3.87Å; Y442-N477 HydrophobicContact CE1-CB 4.04Å; Y442-N477 WeakPolarHBondContact CE1-ND2 3.46Å; W443-N477 PolarHBondContact N-O 3.3Å; N477-Y479 HydrophobicContact CB-CD2 4.31Å; N477-Y479 HydrophobicContact CB-CE2 3.63Å
478	I	87.4	Confident	77.5	Confident	2 Å²	2	54.7 Å²	54.7	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.6	-178.6	-57	179.2	0	0	0	108.2	F451 L458 Y476 T503 L505 T509 L510	F451-I478 HydrophobicContact CD1-CG2 3.76Å; F451-I478 HydrophobicContact CE1-CG2 3.25Å; F451-I478 HydrophobicContact CE2-CG2 4.2Å; F451-I478 HydrophobicContact CG-CG2 4.43Å; F451-I478 HydrophobicContact CZ-CG2 3.5Å; L458-I478 HydrophobicContact CD1-CD1 4.2Å; Y476-I478 HydrophobicContact CD2-CD1 4.38Å; Y476-I478 HydrophobicContact CD2-CG1 4.39Å; I478-T503 HydrophobicContact CD1-CG2 4.04Å; I478-L505 HydrophobicContact CD1-CD1 3.57Å; I478-T509 HydrophobicContact CG2-CG2 4.21Å; I478-L510 PolarHBondContact O-N 3.41Å
479	Y	88.1	Confident	76.8	Confident	14 Å²	14	54.9 Å²	54.9	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.7	-178.2	-73	-96	0	0	0	111.3	Y442 W443 C445 N477 L510 P514	Y442-Y479 AromaticContact CD1-CE2 3.84Å; Y442-Y479 HydrophobicContact CD1-CE2 3.84Å; Y442-Y479 HydrophobicContact CE1-CE2 4.35Å; W443-Y479 PolarHBondContact O-N 3.37Å; C445-Y479 PolarHBondContact N-O 3.45Å; N477-Y479 HydrophobicContact CB-CD2 4.31Å; N477-Y479 HydrophobicContact CB-CE2 3.63Å; Y479-L510 CarbonylContact C-O 3.57Å; Y479-L510 VanDerWaalsContact CA-O 3.25Å; Y479-L510 WeakPolarHBondContact CA-O 3.47Å; Y479-L510 HydrophobicContact CD1-CB 3.72Å; Y479-L510 HydrophobicContact CE1-CB 3.67Å; Y479-L510 HydrophobicContact CE1-CD1 3.75Å; Y479-L510 HydrophobicContact CE1-CG 4.37Å; Y479-L510 HydrophobicContact CE2-CD1 3.98Å; Y479-L510 HydrophobicContact CG-CB 4.28Å; Y479-L510 VanDerWaalsContact CZ-CD1 3.45Å; Y479-L510 WeakPolarHBondContact OH-CD1 3.49Å; Y479-P514 HydrophobicContact CD1-CB 4.43Å; Y479-P514 HydrophobicContact CD1-CG 3.77Å; Y479-P514 HydrophobicContact CD2-CG 3.68Å; Y479-P514 HydrophobicContact CE1-CB 3.91Å; Y479-P514 HydrophobicContact CE1-CG 3.73Å; Y479-P514 HydrophobicContact CE2-CB 4.06Å; Y479-P514 HydrophobicContact CE2-CG 3.62Å; Y479-P514 HydrophobicContact CG-CG 3.73Å
480	L	85.8	Confident	76.3	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	110.3	169.4	-174.7	66.2	0	0	0	109.9	T448 F451 G482 W483 T509 L510 Y511 G512	T448-L480 HydrophobicContact CG2-CD1 4.04Å; T448-L480 HydrophobicContact CG2-CD2 3.79Å; F451-L480 HydrophobicContact CE2-CB 4.5Å; F451-L480 HydrophobicContact CE2-CD1 3.98Å; F451-L480 HydrophobicContact CZ-CD1 4.44Å; L480-G482 WeakPolarHBondContact CD1-O 3.47Å; L480-G482 WeakPolarHBondContact CG-O 3.44Å; L480-W483 HydrophobicContact CD2-CB 4.28Å; L480-T509 HydrophobicContact CB-CG2 3.94Å; L480-L510 PolarHBondContact N-O 2.89Å; L480-Y511 HydrophobicContact CB-CD1 4.39Å; L480-Y511 HydrophobicContact CB-CE1 4.49Å; L480-Y511 HydrophobicContact CD2-CD1 4.37Å; L480-Y511 HydrophobicContact CD2-CE1 4.02Å; L480-G512 PolarHBondContact O-N 3.19Å
481	T	85.4	Confident	75.6	Confident	43 Å²	43	51 Å²	51	26%	0.264	29%	0.289	S	S	.	.			trans	-97.7	-15.2	-174.2	59.3	0	0	0	0	113.9	L444 C445 R446 G512 R513	L444-T481 HydrophobicContact CB-CG2 4.48Å; L444-T481 HydrophobicContact CD2-CG2 4.44Å; C445-T481 PolarHBondContact O-N 2.88Å; C445-T481 PolarHBondContact O-OG1 2.83Å; R446-T481 VanDerWaalsContact CG-OG1 3.28Å; R446-T481 WeakPolarHBondContact CG-OG1 3.28Å; T481-G512 WeakPolarHBondContact CG2-O 3.2Å; T481-R513 HydrophobicContact CG2-CG 4.39Å
482	G	77.1	Confident	75	Confident	22 Å²	22	51.2 Å²	51.2	23%	0.227	29%	0.291	C	S	.	.	S	Bend	trans	-114.4	109.9	170	0	0	0	0	0	107.8	L480	L480-G482 WeakPolarHBondContact CD1-O 3.47Å; L480-G482 WeakPolarHBondContact CG-O 3.44Å
483	W	67.8	Low	74.2	Confident	130 Å²	130	54.3 Å²	54.3	49%	0.492	30%	0.3	S	S	.	.			trans	-139.9	150.1	179.6	62.8	-83.3	0	0	0	109.1	L480 A488 Y511	L480-W483 HydrophobicContact CD2-CB 4.28Å; W483-A488 HydrophobicContact CE3-CB 3.5Å; W483-A488 VanDerWaalsContact CE3-CB 3.5Å; W483-A488 HydrophobicContact CZ3-CB 3.41Å; W483-A488 VanDerWaalsContact CZ3-CB 3.41Å; W483-Y511 HydrophobicContact CB-CD1 4.39Å; W483-Y511 HydrophobicContact CG-CD1 4.45Å
484	D	65.4	Low	73.1	Confident	97 Å²	97	57 Å²	57	52%	0.519	31%	0.312	S	S	.	.			trans	-111.6	157.5	174.1	-175.3	35.4	0	0	0	110	S486 Q487 A488	D484-S486 PolarHBondContact O-N 3.41Å; D484-S486 PolarHBondContact OD2-OG 3.29Å; D484-Q487 WeakPolarHBondContact O-CB 3.08Å; D484-Q487 PolarHBondContact O-N 2.89Å; D484-Q487 VanDerWaalsContact O-N 3.11Å; D484-A488 PolarHBondContact O-N 3.27Å
485	E	64.3	Low	71.8	Confident	148 Å²	148	61.2 Å²	61.2	69%	0.692	33%	0.331	S	S	*	.	H	α-helix	trans	-59.4	-35.3	-177.1	-73.6	-175.3	170.8	0	0	112.2	A488 N489	E485-A488 PolarHBondContact O-N 3.4Å; E485-N489 VanDerWaalsContact O-CG 3.3Å; E485-N489 PolarHBondContact O-N 3.31Å; E485-N489 PolarHBondContact O-ND2 3.44Å
486	S	63.2	Low	70.5	Confident	73 Å²	73	66.6 Å²	66.6	51%	0.51	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-43.9	175.7	60.5	0	0	0	0	112.6	D484 H490	D484-S486 PolarHBondContact O-N 3.41Å; D484-S486 PolarHBondContact OD2-OG 3.29Å; S486-H490 PolarHBondContact O-N 3.29Å
487	Q	65.4	Low	69.6	Low	71 Å²	71	70.5 Å²	70.5	33%	0.332	38%	0.375	S	S	.	.	H	α-helix	trans	-67.6	-46.2	177.2	-70.9	-176.8	-18.4	0	0	110.6	D484 N489 H490 F491	D484-Q487 WeakPolarHBondContact O-CB 3.08Å; D484-Q487 PolarHBondContact O-N 2.89Å; D484-Q487 VanDerWaalsContact O-N 3.11Å; Q487-N489 VanDerWaalsContact C-N 3.28Å; Q487-N489 PolarHBondContact O-N 3.48Å; Q487-H490 PolarHBondContact O-N 3.17Å; Q487-F491 VanDerWaalsContact C-CD2 3.4Å; Q487-F491 HydrophobicContact CB-CD2 4.29Å; Q487-F491 HydrophobicContact CB-CE2 3.68Å; Q487-F491 HydrophobicContact CB-CZ 4.39Å; Q487-F491 WeakPolarHBondContact O-CD2 3.28Å; Q487-F491 WeakPolarHBondContact O-CE2 3.17Å; Q487-F491 VanDerWaalsContact O-CG 3.23Å; Q487-F491 WeakPolarHBondContact O-CG 3.34Å; Q487-F491 PolarHBondContact O-N 3.06Å
488	A	63.3	Low	68.5	Low	23 Å²	23	77.8 Å²	77.8	19%	0.19	41%	0.409	C	S	.	.	H	α-helix	trans	-56.5	-41.8	178.4	0	0	0	0	0	112.6	W483 D484 E485 F491 A492	W483-A488 HydrophobicContact CE3-CB 3.5Å; W483-A488 VanDerWaalsContact CE3-CB 3.5Å; W483-A488 HydrophobicContact CZ3-CB 3.41Å; W483-A488 VanDerWaalsContact CZ3-CB 3.41Å; D484-A488 PolarHBondContact O-N 3.27Å; E485-A488 PolarHBondContact O-N 3.4Å; A488-F491 PolarHBondContact O-N 2.81Å; A488-A492 WeakPolarHBondContact O-CB 3.48Å; A488-A492 PolarHBondContact O-N 3.34Å
489	N	59.2	Low	67.8	Low	108 Å²	108	83.7 Å²	83.7	58%	0.578	43%	0.434	S	S	*	.	H	α-helix	trans	-66.8	-44.1	178.7	-73.1	-21.6	0	0	0	112.2	E485 Q487 F491 A492 V493	E485-N489 VanDerWaalsContact O-CG 3.3Å; E485-N489 PolarHBondContact O-N 3.31Å; E485-N489 PolarHBondContact O-ND2 3.44Å; Q487-N489 VanDerWaalsContact C-N 3.28Å; Q487-N489 PolarHBondContact O-N 3.48Å; N489-F491 VanDerWaalsContact C-N 3.25Å; N489-F491 PolarHBondContact O-N 2.83Å; N489-A492 PolarHBondContact O-N 3.11Å; N489-V493 VanDerWaalsContact O-CG2 3.27Å; N489-V493 WeakPolarHBondContact O-CG2 3.22Å; N489-V493 PolarHBondContact O-N 3.3Å
490	H	65.5	Low	67.1	Low	99 Å²	99	83.7 Å²	83.7	46%	0.458	44%	0.435	S	S	.	.	H	α-helix	trans	-57.6	-41.1	174.2	-175.5	-92.1	0	0	0	111.2	S486 Q487 H494	S486-H490 PolarHBondContact O-N 3.29Å; Q487-H490 PolarHBondContact O-N 3.17Å; H490-H494 AromaticContact CE1-CD2 3.91Å; H490-H494 PolarHBondContact O-CD2 2.98Å; H490-H494 VanDerWaalsContact O-CD2 3.22Å; H490-H494 PolarHBondContact O-N 2.93Å
491	F	62.3	Low	66.2	Low	28 Å²	28	86.7 Å²	86.7	12%	0.123	45%	0.454	C	S	.	.	H	α-helix	trans	-76.2	-32.3	-178.8	-56.8	-49.7	0	0	0	114.6	Q487 A488 N489 V493 H494 H495 I502 Y511	Q487-F491 VanDerWaalsContact C-CD2 3.4Å; Q487-F491 HydrophobicContact CB-CD2 4.29Å; Q487-F491 HydrophobicContact CB-CE2 3.68Å; Q487-F491 HydrophobicContact CB-CZ 4.39Å; Q487-F491 WeakPolarHBondContact O-CD2 3.28Å; Q487-F491 WeakPolarHBondContact O-CE2 3.17Å; Q487-F491 VanDerWaalsContact O-CG 3.23Å; Q487-F491 WeakPolarHBondContact O-CG 3.34Å; Q487-F491 PolarHBondContact O-N 3.06Å; A488-F491 PolarHBondContact O-N 2.81Å; N489-F491 VanDerWaalsContact C-N 3.25Å; N489-F491 PolarHBondContact O-N 2.83Å; F491-V493 VanDerWaalsContact C-N 3.29Å; F491-H494 CarbonylContact O-C 3.59Å; F491-H494 PolarHBondContact O-N 3.36Å; F491-H495 PolarHBondContact O-N 3.19Å; F491-H495 VanDerWaalsContact O-N 3.15Å; F491-I502 HydrophobicContact CD1-CD1 4.27Å; F491-I502 HydrophobicContact CD1-CG1 4.26Å; F491-I502 HydrophobicContact CE1-CD1 3.58Å; F491-I502 HydrophobicContact CE1-CG1 3.47Å; F491-I502 VanDerWaalsContact CE1-CG1 3.47Å; F491-I502 HydrophobicContact CE2-CD1 3.97Å; F491-I502 HydrophobicContact CZ-CD1 3.42Å; F491-I502 VanDerWaalsContact CZ-CD1 3.42Å; F491-I502 HydrophobicContact CZ-CG1 3.77Å; F491-Y511 HydrophobicContact CB-CE2 4.42Å; F491-Y511 WeakPolarHBondContact CB-OH 3.08Å; F491-Y511 AromaticContact CD2-CE1 3.6Å; F491-Y511 HydrophobicContact CD2-CE1 3.6Å; F491-Y511 AromaticContact CD2-CZ 3.52Å; F491-Y511 WeakPolarHBondContact CD2-OH 3.25Å; F491-Y511 HydrophobicContact CE2-CE1 4.04Å; F491-Y511 HydrophobicContact CG-CE1 4.43Å; F491-Y511 AromaticContact CG-CZ 3.9Å; F491-Y511 WeakPolarHBondContact CG-OH 3.5Å
492	A	60.8	Low	65.4	Low	70 Å²	70	86.6 Å²	86.6	58%	0.579	45%	0.451	S	S	*	.	H	α-helix	trans	-65.1	-36.6	174.5	0	0	0	0	0	111.6	A488 N489 H495	A488-A492 WeakPolarHBondContact O-CB 3.48Å; A488-A492 PolarHBondContact O-N 3.34Å; N489-A492 PolarHBondContact O-N 3.11Å; A492-H495 WeakPolarHBondContact O-CB 3.43Å; A492-H495 PolarHBondContact O-N 3.4Å
493	V	60.3	Low	65.1	Low	114 Å²	114	86.1 Å²	86.1	69%	0.691	44%	0.444	S	S	*	.	H	α-helix	trans	-67.5	-36.5	178.3	174.2	0	0	0	0	111.8	N489 F491	N489-V493 VanDerWaalsContact O-CG2 3.27Å; N489-V493 WeakPolarHBondContact O-CG2 3.22Å; N489-V493 PolarHBondContact O-N 3.3Å; F491-V493 VanDerWaalsContact C-N 3.29Å
494	H	61.7	Low	65.3	Low	65 Å²	65	81.2 Å²	81.2	30%	0.301	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	16.2	178	-66.8	-76.4	0	0	0	113.2	H490 F491 D496 E497 V501	H490-H494 AromaticContact CE1-CD2 3.91Å; H490-H494 PolarHBondContact O-CD2 2.98Å; H490-H494 VanDerWaalsContact O-CD2 3.22Å; H490-H494 PolarHBondContact O-N 2.93Å; F491-H494 CarbonylContact O-C 3.59Å; F491-H494 PolarHBondContact O-N 3.36Å; H494-D496 PolarHBondContact O-N 3.35Å; H494-E497 IonicContact CE1-OE1 3.82Å; H494-E497 IonicContact CG-OE1 3.91Å; H494-E497 IonicContact ND1-OE1 2.76Å; H494-E497 PolarHBondContact ND1-OE1 3.34Å; H494-E497 PolarHBondContact O-N 2.92Å; H494-V501 HydrophobicContact CB-CG2 3.48Å; H494-V501 VanDerWaalsContact CB-CG2 3.48Å
495	H	60.1	Low	65.8	Low	102 Å²	102	76.7 Å²	76.7	47%	0.472	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-28	-178.7	-169	78.1	0	0	0	112	F491 A492 E497 K508	F491-H495 PolarHBondContact O-N 3.19Å; F491-H495 VanDerWaalsContact O-N 3.15Å; A492-H495 WeakPolarHBondContact O-CB 3.43Å; A492-H495 PolarHBondContact O-N 3.4Å; H495-E497 PolarHBondContact O-N 2.91Å; H495-K508 PolarHBondContact CD2-NZ 2.97Å; H495-K508 VanDerWaalsContact CE1-CD 3.46Å; H495-K508 WeakPolarHBondContact CE1-CD 3.21Å; H495-K508 PolarHBondContact NE2-NZ 3.49Å; H495-K508 WeakPolarHBondContact O-CE 3.44Å; H495-K508 PolarHBondContact O-NZ 2.84Å
496	D	62.4	Low	66.3	Low	155 Å²	155	75.9 Å²	75.9	83%	0.829	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.1	-177	-66.3	-27.9	0	0	0	114	H494	H494-D496 PolarHBondContact O-N 3.35Å
497	E	68.4	Low	67	Low	92 Å²	92	76.5 Å²	76.5	43%	0.43	40%	0.398	S	S	.	.	S	Bend	trans	-71.1	145.4	175.1	-64.5	-176.4	-173.6	0	0	111.9	H494 H495 K499	H494-E497 IonicContact CE1-OE1 3.82Å; H494-E497 IonicContact CG-OE1 3.91Å; H494-E497 IonicContact ND1-OE1 2.76Å; H494-E497 PolarHBondContact ND1-OE1 3.34Å; H494-E497 PolarHBondContact O-N 2.92Å; H495-E497 PolarHBondContact O-N 2.91Å; E497-K499 PolarHBondContact O-N 3.24Å
498	E	65.3	Low	67.7	Low	178 Å²	178	76.3 Å²	76.3	83%	0.832	40%	0.396	S	S	*	.	S	Bend	trans	-68	-22.2	-178.1	-74.7	-164.9	154.1	0	0	113.7
499	K	72.8	Confident	68.6	Low	125 Å²	125	75.5 Å²	75.5	54%	0.543	39%	0.389	S	S	.	.	S	Bend	trans	-121.3	148.5	-179.4	-68.3	-179	179.1	178.9	0	110.2	E497 V501 L505	E497-K499 PolarHBondContact O-N 3.24Å; K499-V501 PolarHBondContact O-N 2.96Å; K499-L505 WeakPolarHBondContact CA-O 3.32Å
500	D	72.3	Confident	69.7	Low	14 Å²	14	73.3 Å²	73.3	8%	0.075	38%	0.377	C	S	.	.			trans	-65.5	129.2	175.4	-174.4	72.8	0	0	0	111.1	I502 T503 G504 L505 T509	D500-I502 PolarHBondContact O-N 3.42Å; D500-I502 PolarHBondContact OD2-N 3.48Å; D500-T503 WeakPolarHBondContact CB-OG1 3.47Å; D500-T503 WeakPolarHBondContact OD2-CB 3.27Å; D500-T503 PolarHBondContact OD2-N 3.43Å; D500-T503 PolarHBondContact OD2-OG1 2.9Å; D500-G504 VanDerWaalsContact O-CA 3.23Å; D500-G504 WeakPolarHBondContact O-CA 3.44Å; D500-G504 PolarHBondContact O-N 2.91Å; D500-L505 WeakPolarHBondContact CB-O 3.32Å; D500-L505 PolarHBondContact N-O 3.38Å; D500-T509 WeakPolarHBondContact OD1-CB 3.46Å; D500-T509 PolarHBondContact OD1-N 3Å; D500-T509 PolarHBondContact OD1-OG1 3.4Å; D500-T509 PolarHBondContact OD2-OG1 3.16Å
501	V	67.4	Low	70.5	Confident	64 Å²	64	72.8 Å²	72.8	39%	0.388	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.4	-175.7	-175.4	0	0	0	0	112.9	H494 K499	H494-V501 HydrophobicContact CB-CG2 3.48Å; H494-V501 VanDerWaalsContact CB-CG2 3.48Å; K499-V501 PolarHBondContact O-N 2.96Å
502	I	68.8	Low	71.6	Confident	40 Å²	40	72.4 Å²	72.4	21%	0.205	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-48.2	-176.7	-55.2	173	0	0	0	110.4	T448 F451 F491 D500	T448-I502 HydrophobicContact CG2-CD1 4.09Å; T448-I502 HydrophobicContact CG2-CG2 4.33Å; F451-I502 HydrophobicContact CD2-CG2 4.11Å; F491-I502 HydrophobicContact CD1-CD1 4.27Å; F491-I502 HydrophobicContact CD1-CG1 4.26Å; F491-I502 HydrophobicContact CE1-CD1 3.58Å; F491-I502 HydrophobicContact CE1-CG1 3.47Å; F491-I502 VanDerWaalsContact CE1-CG1 3.47Å; F491-I502 HydrophobicContact CE2-CD1 3.97Å; F491-I502 HydrophobicContact CZ-CD1 3.42Å; F491-I502 VanDerWaalsContact CZ-CD1 3.42Å; F491-I502 HydrophobicContact CZ-CG1 3.77Å; D500-I502 PolarHBondContact O-N 3.42Å; D500-I502 PolarHBondContact OD2-N 3.48Å
503	T	69.8	Low	72.8	Confident	13 Å²	13	79.2 Å²	79.2	8%	0.08	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-14.3	-169.5	60.9	0	0	0	0	113.7	F451 I478 D500 L505	F451-T503 HydrophobicContact CB-CG2 3.91Å; F451-T503 HydrophobicContact CG-CG2 4.26Å; I478-T503 HydrophobicContact CD1-CG2 4.04Å; D500-T503 WeakPolarHBondContact CB-OG1 3.47Å; D500-T503 WeakPolarHBondContact OD2-CB 3.27Å; D500-T503 PolarHBondContact OD2-N 3.43Å; D500-T503 PolarHBondContact OD2-OG1 2.9Å; T503-L505 PolarHBondContact O-N 3.2Å
504	G	72.3	Confident	74.3	Confident	27 Å²	27	74.2 Å²	74.2	28%	0.278	36%	0.356	S	S	.	.			trans	68.8	7.7	-174.3	0	0	0	0	0	114.3	D500	D500-G504 VanDerWaalsContact O-CA 3.23Å; D500-G504 WeakPolarHBondContact O-CA 3.44Å; D500-G504 PolarHBondContact O-N 2.91Å
505	L	76.9	Confident	75.7	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.005	36%	0.364	C	S	.	.			trans	-85.9	158.5	-177.5	-64.9	172.2	0	0	0	111.7	L458 Q459 Y476 I478 K499 D500 T503	L458-L505 HydrophobicContact CB-CD1 4.05Å; L458-L505 HydrophobicContact CB-CD2 4Å; L458-L505 HydrophobicContact CD1-CD1 3.99Å; Q459-L505 HydrophobicContact CB-CD2 3.69Å; Q459-L505 HydrophobicContact CG-CD2 4.29Å; Y476-L505 HydrophobicContact CD2-CD1 4.3Å; Y476-L505 HydrophobicContact CE2-CB 4.01Å; Y476-L505 HydrophobicContact CE2-CD1 3.68Å; Y476-L505 HydrophobicContact CE2-CG 4.29Å; I478-L505 HydrophobicContact CD1-CD1 3.57Å; K499-L505 WeakPolarHBondContact CA-O 3.32Å; D500-L505 WeakPolarHBondContact CB-O 3.32Å; D500-L505 PolarHBondContact N-O 3.38Å; T503-L505 PolarHBondContact O-N 3.2Å
506	K	74.6	Confident	77.3	Confident	131 Å²	131	71.2 Å²	71.2	57%	0.57	34%	0.344	S	S	*	.	S	Bend	trans	-70.2	-36	176.9	-169.1	179.5	-179	176.7	0	112.2	E462	E462-K506 WeakPolarHBondContact OE1-CB 3.29Å
507	Q	77.9	Confident	78.7	Confident	87 Å²	87	66.1 Å²	66.1	41%	0.407	32%	0.317	S	S	.	.	S	Bend	trans	-78.2	125.7	174	-168.1	76.1	9.3	0	0	110.1	Y476	Y476-Q507 HydrophobicContact CD2-CB 4.08Å; Y476-Q507 HydrophobicContact CE2-CB 3.45Å; Y476-Q507 VanDerWaalsContact CE2-CB 3.45Å; Y476-Q507 HydrophobicContact CE2-CG 4.44Å; Y476-Q507 WeakPolarHBondContact O-CG 3.21Å; Y476-Q507 PolarHBondContact OH-N 3.17Å
508	K	80	Confident	79.8	Confident	66 Å²	66	65.7 Å²	65.7	29%	0.287	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-71.4	146.1	178.9	-62	-179.3	-173.1	165.9	0	112.4	H495	H495-K508 PolarHBondContact CD2-NZ 2.97Å; H495-K508 VanDerWaalsContact CE1-CD 3.46Å; H495-K508 WeakPolarHBondContact CE1-CD 3.21Å; H495-K508 PolarHBondContact NE2-NZ 3.49Å; H495-K508 WeakPolarHBondContact O-CE 3.44Å; H495-K508 PolarHBondContact O-NZ 2.84Å
509	T	81.1	Confident	81.2	Confident	6 Å²	6	59.4 Å²	59.4	4%	0.037	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-67.7	129	172.7	-61	0	0	0	0	110.3	I478 L480 D500 Y511	I478-T509 HydrophobicContact CG2-CG2 4.21Å; L480-T509 HydrophobicContact CB-CG2 3.94Å; D500-T509 WeakPolarHBondContact OD1-CB 3.46Å; D500-T509 PolarHBondContact OD1-N 3Å; D500-T509 PolarHBondContact OD1-OG1 3.4Å; D500-T509 PolarHBondContact OD2-OG1 3.16Å; T509-Y511 WeakPolarHBondContact O-CE2 3.48Å
510	L	83.9	Confident	82.2	Confident	63 Å²	63	53.5 Å²	53.5	33%	0.33	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	142.7	179	-60.9	174.8	0	0	0	110.7	I478 Y479 L480	I478-L510 PolarHBondContact O-N 3.41Å; Y479-L510 CarbonylContact C-O 3.57Å; Y479-L510 VanDerWaalsContact CA-O 3.25Å; Y479-L510 WeakPolarHBondContact CA-O 3.47Å; Y479-L510 HydrophobicContact CD1-CB 3.72Å; Y479-L510 HydrophobicContact CE1-CB 3.67Å; Y479-L510 HydrophobicContact CE1-CD1 3.75Å; Y479-L510 HydrophobicContact CE1-CG 4.37Å; Y479-L510 HydrophobicContact CE2-CD1 3.98Å; Y479-L510 HydrophobicContact CG-CB 4.28Å; Y479-L510 VanDerWaalsContact CZ-CD1 3.45Å; Y479-L510 WeakPolarHBondContact OH-CD1 3.49Å; L480-L510 PolarHBondContact N-O 2.89Å
511	Y	82.1	Confident	83.1	Confident	88 Å²	88	57.8 Å²	57.8	35%	0.345	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	142.3	-177.4	-60.8	-83	0	0	0	112.2	L480 W483 F491 T509	L480-Y511 HydrophobicContact CB-CD1 4.39Å; L480-Y511 HydrophobicContact CB-CE1 4.49Å; L480-Y511 HydrophobicContact CD2-CD1 4.37Å; L480-Y511 HydrophobicContact CD2-CE1 4.02Å; W483-Y511 HydrophobicContact CB-CD1 4.39Å; W483-Y511 HydrophobicContact CG-CD1 4.45Å; F491-Y511 HydrophobicContact CB-CE2 4.42Å; F491-Y511 WeakPolarHBondContact CB-OH 3.08Å; F491-Y511 AromaticContact CD2-CE1 3.6Å; F491-Y511 HydrophobicContact CD2-CE1 3.6Å; F491-Y511 AromaticContact CD2-CZ 3.52Å; F491-Y511 WeakPolarHBondContact CD2-OH 3.25Å; F491-Y511 HydrophobicContact CE2-CE1 4.04Å; F491-Y511 HydrophobicContact CG-CE1 4.43Å; F491-Y511 AromaticContact CG-CZ 3.9Å; F491-Y511 WeakPolarHBondContact CG-OH 3.5Å; T509-Y511 WeakPolarHBondContact O-CE2 3.48Å
512	G	84.4	Confident	84.3	Confident	20 Å²	20	57.8 Å²	57.8	21%	0.206	28%	0.281	C	S	.	.	S	Bend	trans	84.1	-152.9	179.6	0	0	0	0	0	112.8	L480 T481	L480-G512 PolarHBondContact O-N 3.19Å; T481-G512 WeakPolarHBondContact CG2-O 3.2Å
513	R	86.9	Confident	85.4	Confident	213 Å²	213	56 Å²	56	80%	0.804	27%	0.272	S	S	*	.			trans	-102.6	142.1	-175.3	-63.9	-175.6	-176	-168.9	4	110.3	T481 N515	T481-R513 HydrophobicContact CG2-CG 4.39Å; R513-N515 PolarHBondContact O-N 3.25Å
514	P	90.4	Very high	86.4	Confident	8 Å²	8	56.3 Å²	56.3	5%	0.052	28%	0.276	C	S	.	.			trans	-57.3	137	173.6	-18.7	27.5	0	0	0	111	L444 Y479 W516	L444-P514 HydrophobicContact CD2-CG 3.84Å; L444-P514 HydrophobicContact CG-CG 4.32Å; Y479-P514 HydrophobicContact CD1-CB 4.43Å; Y479-P514 HydrophobicContact CD1-CG 3.77Å; Y479-P514 HydrophobicContact CD2-CG 3.68Å; Y479-P514 HydrophobicContact CE1-CB 3.91Å; Y479-P514 HydrophobicContact CE1-CG 3.73Å; Y479-P514 HydrophobicContact CE2-CB 4.06Å; Y479-P514 HydrophobicContact CE2-CG 3.62Å; Y479-P514 HydrophobicContact CG-CG 3.73Å; P514-W516 VanDerWaalsContact C-N 3.28Å; P514-W516 HydrophobicContact CB-CD2 4Å; P514-W516 HydrophobicContact CB-CE3 4.18Å; P514-W516 HydrophobicContact CB-CH2 4.11Å; P514-W516 HydrophobicContact CB-CZ2 3.93Å; P514-W516 HydrophobicContact CB-CZ3 4.23Å; P514-W516 HydrophobicContact CG-CH2 3.91Å; P514-W516 HydrophobicContact CG-CZ2 3.62Å; P514-W516 PolarHBondContact O-N 3.38Å
515	N	92.1	Very high	87.3	Confident	86 Å²	86	59.4 Å²	59.4	46%	0.46	29%	0.293	S	S	.	.			trans	-79	83.8	167.4	-173.1	-14.9	0	0	0	109.2	R513 D517 N518 E519	R513-N515 PolarHBondContact O-N 3.25Å; N515-D517 PolarHBondContact O-N 2.87Å; N515-D517 VanDerWaalsContact O-N 3.1Å; N515-D517 PolarHBondContact OD1-N 3.48Å; N515-N518 HydrophobicContact CB-CB 4.34Å; N515-N518 PolarHBondContact ND2-ND2 3Å; N515-N518 PolarHBondContact O-N 3.37Å; N515-N518 VanDerWaalsContact O-N 3.07Å; N515-E519 WeakPolarHBondContact O-CG 3.45Å; N515-E519 PolarHBondContact O-N 3.19Å
516	W	93.6	Very high	88	Confident	18 Å²	18	64.3 Å²	64.3	7%	0.068	32%	0.316	C	S	.	.	H	α-helix	trans	-56.1	-28.8	-176.3	-63.4	115.7	0	0	0	114.1	M405 V407 Y442 L444 P514 F520 L542 L546 Q549	M405-W516 HydrophobicContact CE-CZ3 4.49Å; M405-W516 HydrophobicContact SD-CZ3 4.46Å; V407-W516 HydrophobicContact CB-CH2 4.47Å; V407-W516 HydrophobicContact CG1-CH2 3.63Å; V407-W516 HydrophobicContact CG1-CZ2 4.01Å; V407-W516 HydrophobicContact CG2-CH2 3.94Å; V407-W516 HydrophobicContact CG2-CZ3 4.18Å; Y442-W516 HydrophobicContact CD1-CH2 4.15Å; Y442-W516 AromaticContact CD1-CZ3 3.98Å; Y442-W516 HydrophobicContact CD1-CZ3 3.98Å; Y442-W516 HydrophobicContact CD2-CZ3 4.3Å; Y442-W516 HydrophobicContact CE1-CZ3 4.31Å; Y442-W516 HydrophobicContact CG-CH2 4.03Å; Y442-W516 AromaticContact CG-CZ3 4Å; Y442-W516 HydrophobicContact CG-CZ3 4Å; L444-W516 HydrophobicContact CD1-CH2 4.21Å; L444-W516 HydrophobicContact CD1-CZ2 4.05Å; L444-W516 HydrophobicContact CD2-CZ2 4.17Å; P514-W516 VanDerWaalsContact C-N 3.28Å; P514-W516 HydrophobicContact CB-CD2 4Å; P514-W516 HydrophobicContact CB-CE3 4.18Å; P514-W516 HydrophobicContact CB-CH2 4.11Å; P514-W516 HydrophobicContact CB-CZ2 3.93Å; P514-W516 HydrophobicContact CB-CZ3 4.23Å; P514-W516 HydrophobicContact CG-CH2 3.91Å; P514-W516 HydrophobicContact CG-CZ2 3.62Å; P514-W516 PolarHBondContact O-N 3.38Å; W516-F520 HydrophobicContact CB-CD2 4.45Å; W516-F520 HydrophobicContact CB-CE2 4.49Å; W516-F520 HydrophobicContact CE3-CE2 4.2Å; W516-F520 WeakPolarHBondContact O-CB 3.26Å; W516-F520 WeakPolarHBondContact O-CD2 3.47Å; W516-F520 PolarHBondContact O-N 3.28Å; W516-L542 HydrophobicContact CZ2-CD1 3.95Å; W516-L546 HydrophobicContact CD2-CD2 3.47Å; W516-L546 VanDerWaalsContact CD2-CD2 3.47Å; W516-L546 HydrophobicContact CE3-CD2 3.63Å; W516-L546 HydrophobicContact CG-CD2 3.95Å; W516-L546 HydrophobicContact CH2-CD2 4.21Å; W516-L546 HydrophobicContact CZ2-CD2 4.07Å; W516-L546 HydrophobicContact CZ3-CD2 4.01Å; W516-Q549 HydrophobicContact CB-CG 4.02Å
517	D	91.3	Very high	88.7	Confident	49 Å²	49	59.9 Å²	59.9	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-66.1	-45.9	177.4	-173.3	61.5	0	0	0	111.1	N515 K521	N515-D517 PolarHBondContact O-N 2.87Å; N515-D517 VanDerWaalsContact O-N 3.1Å; N515-D517 PolarHBondContact OD1-N 3.48Å; D517-K521 WeakPolarHBondContact O-CB 3.31Å; D517-K521 VanDerWaalsContact O-CG 3.27Å; D517-K521 WeakPolarHBondContact O-CG 3.48Å; D517-K521 PolarHBondContact O-N 3.19Å; D517-K521 VanDerWaalsContact O-N 3.08Å; D517-K521 IonicContact OD1-NZ 3.62Å; D517-K521 WeakPolarHBondContact OD2-CE 3.27Å; D517-K521 IonicContact OD2-NZ 2.79Å; D517-K521 PolarHBondContact OD2-NZ 3.07Å
518	N	92.7	Very high	89.2	Confident	83 Å²	83	59.5 Å²	59.5	44%	0.444	30%	0.302	S	S	.	.	H	α-helix	trans	-67.6	-41	177.6	-71.7	0.3	0	0	0	112.2	N515 K521 T522	N515-N518 HydrophobicContact CB-CB 4.34Å; N515-N518 PolarHBondContact ND2-ND2 3Å; N515-N518 PolarHBondContact O-N 3.37Å; N515-N518 VanDerWaalsContact O-N 3.07Å; N518-K521 PolarHBondContact O-N 3.48Å; N518-T522 WeakPolarHBondContact O-CB 3.49Å; N518-T522 PolarHBondContact O-N 3.03Å; N518-T522 PolarHBondContact O-OG1 2.79Å
519	E	93.4	Very high	89.5	Confident	46 Å²	46	61.3 Å²	61.3	22%	0.215	32%	0.315	C	S	.	.	H	α-helix	trans	-60.9	-48.8	177.8	-66	-58.3	139.2	0	0	110.9	Y442 N515 K521 T522 I523	Y442-E519 HydrophobicContact CE1-CG 4.11Å; Y442-E519 PolarHBondContact OH-OE2 3.31Å; N515-E519 WeakPolarHBondContact O-CG 3.45Å; N515-E519 PolarHBondContact O-N 3.19Å; E519-K521 PolarHBondContact O-N 2.77Å; E519-T522 PolarHBondContact O-N 2.79Å; E519-I523 VanDerWaalsContact O-CG1 3.27Å; E519-I523 WeakPolarHBondContact O-CG1 3.44Å; E519-I523 PolarHBondContact O-N 3.31Å
520	F	93.8	Very high	89.8	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-40.9	179.3	-85.4	-109.6	0	0	0	112	M405 W516 I523 A524 V534 L546 Q549 S550 N553 F563	M405-F520 HydrophobicContact CE-CD2 4.37Å; M405-F520 HydrophobicContact CE-CE1 4.24Å; M405-F520 HydrophobicContact CE-CE2 3.42Å; M405-F520 VanDerWaalsContact CE-CE2 3.42Å; M405-F520 HydrophobicContact CE-CZ 3.33Å; M405-F520 HydrophobicContact SD-CE2 4.13Å; M405-F520 HydrophobicContact SD-CZ 4.4Å; W516-F520 HydrophobicContact CB-CD2 4.45Å; W516-F520 HydrophobicContact CB-CE2 4.49Å; W516-F520 HydrophobicContact CE3-CE2 4.2Å; W516-F520 WeakPolarHBondContact O-CB 3.26Å; W516-F520 WeakPolarHBondContact O-CD2 3.47Å; W516-F520 PolarHBondContact O-N 3.28Å; F520-I523 PolarHBondContact O-N 3.42Å; F520-A524 VanDerWaalsContact O-CB 3.23Å; F520-A524 WeakPolarHBondContact O-CB 3.5Å; F520-A524 PolarHBondContact O-N 2.94Å; F520-V534 HydrophobicContact CE1-CG2 4.12Å; F520-V534 HydrophobicContact CZ-CG1 4.4Å; F520-V534 HydrophobicContact CZ-CG2 4.27Å; F520-L546 HydrophobicContact CE2-CD2 3.88Å; F520-L546 HydrophobicContact CZ-CD2 4.21Å; F520-Q549 HydrophobicContact CD1-CB 4.4Å; F520-Q549 HydrophobicContact CD2-CB 4.14Å; F520-Q549 HydrophobicContact CE1-CB 4.28Å; F520-Q549 HydrophobicContact CE2-CB 3.95Å; F520-Q549 HydrophobicContact CG-CB 4.32Å; F520-Q549 HydrophobicContact CZ-CB 4.02Å; F520-S550 WeakPolarHBondContact CE1-OG 3.18Å; F520-N553 HydrophobicContact CB-CB 3.98Å; F520-N553 HydrophobicContact CD1-CB 4.24Å; F520-F563 HydrophobicContact CB-CZ 4.41Å; F520-F563 HydrophobicContact CD1-CB 4.5Å; F520-F563 AromaticContact CD1-CD1 3.58Å; F520-F563 HydrophobicContact CD1-CD1 3.58Å; F520-F563 HydrophobicContact CD1-CD2 4.01Å; F520-F563 AromaticContact CD1-CE1 3.63Å; F520-F563 HydrophobicContact CD1-CE1 3.63Å; F520-F563 HydrophobicContact CD1-CE2 4.06Å; F520-F563 AromaticContact CD1-CG 3.77Å; F520-F563 HydrophobicContact CD1-CG 3.77Å; F520-F563 AromaticContact CD1-CZ 3.88Å; F520-F563 HydrophobicContact CD1-CZ 3.88Å; F520-F563 HydrophobicContact CE1-CB 4.17Å; F520-F563 AromaticContact CE1-CD1 3.59Å; F520-F563 HydrophobicContact CE1-CD1 3.59Å; F520-F563 HydrophobicContact CE1-CE1 4.05Å; F520-F563 AromaticContact CE1-CG 3.84Å; F520-F563 HydrophobicContact CE1-CG 3.84Å; F520-F563 HydrophobicContact CG-CE1 4.37Å; F520-F563 HydrophobicContact CG-CZ 4.47Å; F520-F563 WeakPolarHBondContact O-CZ 3.49Å
521	K	91.7	Very high	90	Very high	105 Å²	105	64.2 Å²	64.2	46%	0.457	32%	0.323	S	S	.	.	H	α-helix	trans	-62.5	-42.5	175.7	-75.2	170.9	178.4	169.9	0	112.2	D517 N518 E519 A524 S525	D517-K521 WeakPolarHBondContact O-CB 3.31Å; D517-K521 VanDerWaalsContact O-CG 3.27Å; D517-K521 WeakPolarHBondContact O-CG 3.48Å; D517-K521 PolarHBondContact O-N 3.19Å; D517-K521 VanDerWaalsContact O-N 3.08Å; D517-K521 IonicContact OD1-NZ 3.62Å; D517-K521 WeakPolarHBondContact OD2-CE 3.27Å; D517-K521 IonicContact OD2-NZ 2.79Å; D517-K521 PolarHBondContact OD2-NZ 3.07Å; N518-K521 PolarHBondContact O-N 3.48Å; E519-K521 PolarHBondContact O-N 2.77Å; K521-A524 PolarHBondContact O-N 3.24Å; K521-S525 PolarHBondContact O-N 3.43Å; K521-S525 PolarHBondContact O-OG 3.04Å
522	T	92.6	Very high	90.5	Very high	64 Å²	64	60 Å²	60	39%	0.393	31%	0.307	S	S	.	.	H	α-helix	trans	-64.9	-45.3	177.8	-57.7	0	0	0	0	111.3	N518 E519 A524 S525 Q526	N518-T522 WeakPolarHBondContact O-CB 3.49Å; N518-T522 PolarHBondContact O-N 3.03Å; N518-T522 PolarHBondContact O-OG1 2.79Å; E519-T522 PolarHBondContact O-N 2.79Å; T522-A524 VanDerWaalsContact C-N 3.32Å; T522-A524 PolarHBondContact O-N 3.36Å; T522-S525 PolarHBondContact O-N 3.05Å; T522-S525 PolarHBondContact O-OG 3.05Å; T522-Q526 VanDerWaalsContact O-CG 3.3Å; T522-Q526 WeakPolarHBondContact O-CG 3.48Å; T522-Q526 PolarHBondContact O-N 3.31Å; T522-Q526 VanDerWaalsContact O-N 3.12Å
523	I	92.9	Very high	90.9	Very high	2 Å²	2	59 Å²	59	1%	0.01	30%	0.297	C	S	.	.	H	α-helix	trans	-66.8	-37.8	177.6	-63.3	169.2	0	0	0	110.3	M405 Y440 E519 F520 S525 Q526 H527 I532 F563	M405-I523 HydrophobicContact SD-CD1 3.96Å; Y440-I523 HydrophobicContact CD1-CD1 4.18Å; Y440-I523 HydrophobicContact CD1-CG1 4.24Å; Y440-I523 HydrophobicContact CD2-CD1 4.24Å; Y440-I523 HydrophobicContact CD2-CG1 4.43Å; Y440-I523 HydrophobicContact CD2-CG2 4.4Å; Y440-I523 HydrophobicContact CE1-CG1 4.09Å; Y440-I523 HydrophobicContact CE2-CG1 4.3Å; Y440-I523 HydrophobicContact CE2-CG2 4.03Å; Y440-I523 HydrophobicContact CG-CD1 4.03Å; Y440-I523 HydrophobicContact CG-CG1 4.41Å; E519-I523 VanDerWaalsContact O-CG1 3.27Å; E519-I523 WeakPolarHBondContact O-CG1 3.44Å; E519-I523 PolarHBondContact O-N 3.31Å; F520-I523 PolarHBondContact O-N 3.42Å; I523-S525 PolarHBondContact O-N 3.41Å; I523-Q526 PolarHBondContact O-N 2.87Å; I523-H527 PolarHBondContact O-CD2 3.45Å; I523-H527 PolarHBondContact O-N 2.93Å; I523-H527 VanDerWaalsContact O-N 3.1Å; I523-I532 HydrophobicContact CG2-CD1 3.7Å; I523-F563 HydrophobicContact CB-CE1 4.48Å; I523-F563 HydrophobicContact CB-CZ 4.43Å; I523-F563 HydrophobicContact CG2-CE1 4.18Å; I523-F563 HydrophobicContact CG2-CZ 4.37Å
524	A	90.7	Very high	91.2	Very high	19 Å²	19	48.9 Å²	48.9	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-62.9	-41	177.1	0	0	0	0	0	112.3	F520 K521 T522 V561 F563	F520-A524 VanDerWaalsContact O-CB 3.23Å; F520-A524 WeakPolarHBondContact O-CB 3.5Å; F520-A524 PolarHBondContact O-N 2.94Å; K521-A524 PolarHBondContact O-N 3.24Å; T522-A524 VanDerWaalsContact C-N 3.32Å; T522-A524 PolarHBondContact O-N 3.36Å; A524-V561 HydrophobicContact CB-CB 4.48Å; A524-V561 HydrophobicContact CB-CG1 4.27Å; A524-F563 HydrophobicContact CB-CE2 3.99Å; A524-F563 HydrophobicContact CB-CZ 4.07Å
525	S	90.9	Very high	91.4	Very high	93 Å²	93	48.5 Å²	48.5	65%	0.65	26%	0.256	S	S	*	.	H	α-helix	trans	-70	-32.3	177.6	67.5	0	0	0	0	112.9	K521 T522 I523	K521-S525 PolarHBondContact O-N 3.43Å; K521-S525 PolarHBondContact O-OG 3.04Å; T522-S525 PolarHBondContact O-N 3.05Å; T522-S525 PolarHBondContact O-OG 3.05Å; I523-S525 PolarHBondContact O-N 3.41Å
526	Q	91.3	Very high	91.4	Very high	103 Å²	103	44.4 Å²	44.4	48%	0.481	24%	0.235	S	C	.	.	H	α-helix	trans	-74.5	-27.5	178.1	-72.3	176.2	5.3	0	0	113.5	Y440 T522 I523 P528	Y440-Q526 PolarHBondContact OH-OE1 3.4Å; T522-Q526 VanDerWaalsContact O-CG 3.3Å; T522-Q526 WeakPolarHBondContact O-CG 3.48Å; T522-Q526 PolarHBondContact O-N 3.31Å; T522-Q526 VanDerWaalsContact O-N 3.12Å; I523-Q526 PolarHBondContact O-N 2.87Å; Q526-P528 WeakPolarHBondContact O-CD 3.5Å
527	H	90.1	Very high	91.3	Very high	39 Å²	39	44 Å²	44	18%	0.181	23%	0.234	C	C	.	.	S	Bend	trans	-128.2	64.4	-173.1	-60.8	-76.2	0	0	0	112.9	V403 Y440 I523 T530 I532 V561	V403-H527 HydrophobicContact CG2-CB 4.45Å; Y440-H527 AromaticContact CE2-NE2 3.63Å; Y440-H527 AromaticContact CZ-NE2 3.67Å; Y440-H527 PolarHBondContact OH-NE2 2.9Å; I523-H527 PolarHBondContact O-CD2 3.45Å; I523-H527 PolarHBondContact O-N 2.93Å; I523-H527 VanDerWaalsContact O-N 3.1Å; H527-T530 WeakPolarHBondContact O-CB 3.35Å; H527-T530 PolarHBondContact O-OG1 3.49Å; H527-I532 HydrophobicContact CB-CD1 4.43Å; H527-V561 VanDerWaalsContact O-CG2 3.26Å; H527-V561 WeakPolarHBondContact O-CG2 3.38Å
528	P	86.6	Confident	91.2	Very high	79 Å²	79	42.9 Å²	42.9	51%	0.513	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	152.9	178.6	28.3	-35.2	0	0	0	111.4	Q526 T530	Q526-P528 WeakPolarHBondContact O-CD 3.5Å; P528-T530 PolarHBondContact O-N 3.3Å; P528-T530 VanDerWaalsContact O-N 3.12Å; P528-T530 PolarHBondContact O-OG1 2.95Å
529	N	87.2	Confident	91	Very high	103 Å²	103	42.5 Å²	42.5	55%	0.551	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	19.2	-179.5	-54.6	-88.3	0	0	0	115.7	R559	N529-R559 VanDerWaalsContact CG-O 3.24Å; N529-R559 WeakPolarHBondContact OD1-CA 3.42Å; N529-R559 WeakPolarHBondContact OD1-CB 3.11Å; N529-R559 PolarHBondContact OD1-O 3.47Å
530	T	87.6	Confident	90.6	Very high	23 Å²	23	43.5 Å²	43.5	14%	0.141	24%	0.241	C	C	.	.			trans	-111.1	145.1	-172.4	-50.3	0	0	0	0	112.2	E402 V403 H527 P528 H562	E402-T530 HydrophobicContact CB-CG2 4.22Å; V403-T530 HydrophobicContact CB-CG2 4.48Å; V403-T530 HydrophobicContact CG2-CG2 4Å; H527-T530 WeakPolarHBondContact O-CB 3.35Å; H527-T530 PolarHBondContact O-OG1 3.49Å; P528-T530 PolarHBondContact O-N 3.3Å; P528-T530 VanDerWaalsContact O-N 3.12Å; P528-T530 PolarHBondContact O-OG1 2.95Å; T530-H562 PolarHBondContact O-N 3.19Å
531	R	89	Confident	90.4	Very high	107 Å²	107	47 Å²	47	40%	0.404	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	111.7	169.3	-63.7	179.7	70.4	-164.4	-1.7	108.8	H562	R531-H562 CarbonylContact C-O 3.57Å; R531-H562 WeakPolarHBondContact CA-O 3.35Å; R531-H562 HydrophobicContact CG-CB 4.37Å
532	I	92.2	Very high	90.4	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	123.3	-176.4	-59	162.5	0	0	0	109	V403 I523 H527 V561 H562 F563 I564	V403-I532 HydrophobicContact CB-CG1 4.15Å; V403-I532 HydrophobicContact CG1-CG1 4.29Å; V403-I532 HydrophobicContact CG1-CG2 4.24Å; V403-I532 WeakPolarHBondContact O-CA 3.36Å; I523-I532 HydrophobicContact CG2-CD1 3.7Å; H527-I532 HydrophobicContact CB-CD1 4.43Å; I532-V561 HydrophobicContact CD1-CG1 3.54Å; I532-V561 HydrophobicContact CG1-CG1 4.4Å; I532-H562 PolarHBondContact N-O 3Å; I532-F563 HydrophobicContact CB-CD1 3.88Å; I532-F563 HydrophobicContact CB-CE1 4.08Å; I532-F563 HydrophobicContact CD1-CD1 4.08Å; I532-F563 HydrophobicContact CD1-CE1 3.48Å; I532-F563 VanDerWaalsContact CD1-CE1 3.48Å; I532-F563 HydrophobicContact CD1-CE2 4.32Å; I532-F563 HydrophobicContact CD1-CZ 3.62Å; I532-F563 HydrophobicContact CG1-CE1 4.4Å; I532-F563 HydrophobicContact CG2-CD1 3.9Å; I532-F563 HydrophobicContact CG2-CE1 3.96Å; I532-I564 PolarHBondContact O-N 2.78Å
533	G	92.4	Very high	90.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	117.1	176.5	0	0	0	0	0	110.8	Y401 V403 V404 M405	Y401-G533 VanDerWaalsContact CD1-CA 3.49Å; Y401-G533 VanDerWaalsContact CD1-N 3.3Å; V403-G533 PolarHBondContact O-N 2.96Å; V404-G533 CarbonylContact C-O 3.5Å; V404-G533 VanDerWaalsContact CA-O 3.26Å; V404-G533 WeakPolarHBondContact CA-O 3.42Å; M405-G533 PolarHBondContact N-O 2.7Å
534	V	94	Very high	90.2	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.2	177.1	178.8	0	0	0	0	109	M405 F520 F563 I564 F565 N566	M405-V534 HydrophobicContact CB-CG2 4.25Å; M405-V534 HydrophobicContact CE-CB 4.18Å; M405-V534 HydrophobicContact CE-CG1 3.3Å; M405-V534 HydrophobicContact CE-CG2 3.9Å; M405-V534 CarbonylContact O-C 3.56Å; M405-V534 WeakPolarHBondContact O-CA 3.34Å; F520-V534 HydrophobicContact CE1-CG2 4.12Å; F520-V534 HydrophobicContact CZ-CG1 4.4Å; F520-V534 HydrophobicContact CZ-CG2 4.27Å; V534-F563 HydrophobicContact CG2-CB 4.22Å; V534-F563 HydrophobicContact CG2-CD1 3.8Å; V534-I564 PolarHBondContact N-O 3.24Å; V534-F565 HydrophobicContact CB-CD2 4.32Å; V534-F565 HydrophobicContact CG1-CD2 3.85Å; V534-F565 HydrophobicContact CG1-CE2 4.37Å; V534-N566 PolarHBondContact O-N 3.1Å
535	F	93.5	Very high	90.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.7	-178.6	-62.9	-91.3	0	0	0	110.2	A394 V398 Y401 V404 M405 L406 V407 F416 N566	A394-F535 WeakPolarHBondContact O-CE1 3.32Å; V398-F535 HydrophobicContact CB-CE2 4.4Å; V398-F535 HydrophobicContact CB-CZ 4.4Å; V398-F535 HydrophobicContact CG2-CD1 4.03Å; V398-F535 HydrophobicContact CG2-CD2 3.79Å; V398-F535 HydrophobicContact CG2-CE1 3.89Å; V398-F535 HydrophobicContact CG2-CE2 3.62Å; V398-F535 HydrophobicContact CG2-CG 3.99Å; V398-F535 HydrophobicContact CG2-CZ 3.66Å; Y401-F535 HydrophobicContact CD2-CE2 4.09Å; Y401-F535 AromaticContact CD2-CZ 3.93Å; Y401-F535 HydrophobicContact CD2-CZ 3.93Å; Y401-F535 HydrophobicContact CE2-CE2 4.15Å; Y401-F535 AromaticContact CE2-CZ 3.65Å; Y401-F535 HydrophobicContact CE2-CZ 3.65Å; V404-F535 HydrophobicContact CB-CD2 4.44Å; V404-F535 HydrophobicContact CB-CE2 4.39Å; V404-F535 HydrophobicContact CG1-CE2 4Å; M405-F535 PolarHBondContact O-N 3.17Å; L406-F535 HydrophobicContact CD2-CB 3.98Å; L406-F535 HydrophobicContact CD2-CD2 3.93Å; L406-F535 HydrophobicContact CD2-CG 4.24Å; V407-F535 PolarHBondContact N-O 3.25Å; F416-F535 HydrophobicContact CE1-CB 3.91Å; F416-F535 HydrophobicContact CZ-CB 4.17Å; F535-N566 WeakPolarHBondContact CA-O 2.96Å; F535-N566 HydrophobicContact CD1-CB 3.59Å; F535-N566 HydrophobicContact CE1-CB 3.72Å; F535-N566 WeakPolarHBondContact CE1-ND2 3.24Å; F535-N566 HydrophobicContact CG-CB 4.32Å; F535-N566 WeakPolarHBondContact CZ-ND2 3.45Å
536	L	92.9	Very high	90.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.9	176.4	172	70.3	0	0	0	111.1	V407 L542 A543 L546 F565 N566 E568	V407-L536 HydrophobicContact CB-CD1 4.04Å; V407-L536 HydrophobicContact CG1-CD1 3.92Å; V407-L536 WeakPolarHBondContact O-CA 3.45Å; V407-L536 WeakPolarHBondContact O-CD1 3.31Å; L536-L542 HydrophobicContact CD1-CD2 3.69Å; L536-L542 HydrophobicContact CD1-CG 3.98Å; L536-L542 HydrophobicContact CD2-CB 4.48Å; L536-L542 HydrophobicContact CD2-CG 4.33Å; L536-A543 HydrophobicContact CD2-CB 3.44Å; L536-A543 VanDerWaalsContact CD2-CB 3.44Å; L536-A543 VanDerWaalsContact CD2-N 3.33Å; L536-L546 HydrophobicContact CB-CD1 4.09Å; L536-L546 HydrophobicContact CD1-CD1 3.89Å; L536-L546 HydrophobicContact CD2-CD1 4.12Å; L536-L546 HydrophobicContact CG-CD1 4.23Å; L536-F565 HydrophobicContact CB-CE2 3.91Å; L536-F565 HydrophobicContact CB-CZ 4.14Å; L536-F565 HydrophobicContact CD2-CE2 4.37Å; L536-F565 HydrophobicContact CD2-CZ 4.05Å; L536-N566 PolarHBondContact N-O 3.24Å; L536-E568 WeakPolarHBondContact O-CB 3.13Å; L536-E568 PolarHBondContact O-N 3.28Å
537	C	90.6	Very high	90.3	Very high	9 Å²	9	41.2 Å²	41.2	6%	0.061	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	102.4	160.9	-178.7	0	0	0	0	109.3	V407 A409 G412 P415 F416 E568	V407-C537 PolarHBondContact O-N 3.36Å; A409-C537 PolarHBondContact N-O 3.33Å; G412-C537 WeakPolarHBondContact CA-SG 3.43Å; G412-C537 WeakPolarHBondContact O-CB 3.29Å; G412-C537 PolarHBondContact O-SG 2.65Å; P415-C537 HydrophobicContact CG-CB 3.79Å; F416-C537 HydrophobicContact CE2-CB 4.02Å; F416-C537 HydrophobicContact CZ-CB 4.2Å; C537-E568 HydrophobicContact CB-CB 3.99Å; C537-E568 HydrophobicContact CB-CG 3.96Å
538	G	89	Confident	90.4	Very high	26 Å²	26	46.6 Å²	46.6	27%	0.268	26%	0.257	S	S	.	.	S	Bend	trans	174.6	-170.5	-171.1	0	0	0	0	0	114.8
539	P	88.4	Confident	90.6	Very high	74 Å²	74	44.4 Å²	44.4	48%	0.481	24%	0.24	S	C	.	.			trans	-67.9	149.5	-172.5	27.1	-34	0	0	0	113	A409 A541 L542 A543	A409-P539 VanDerWaalsContact CB-CD 3.49Å; A409-P539 HydrophobicContact CB-CG 4.49Å; P539-A541 PolarHBondContact O-N 2.82Å; P539-A541 VanDerWaalsContact O-N 3.15Å; P539-L542 HydrophobicContact CG-CB 4.06Å; P539-L542 WeakPolarHBondContact O-CB 3.14Å; P539-L542 PolarHBondContact O-N 2.88Å; P539-A543 PolarHBondContact O-N 3.17Å; P539-A543 VanDerWaalsContact O-N 3.1Å
540	E	86	Confident	90.7	Very high	68 Å²	68	39.5 Å²	39.5	32%	0.318	21%	0.213	S	C	.	.	H	α-helix	trans	-56.1	-33.8	-178.7	-172.7	63.1	-159.5	0	0	113.7	L542 A543 K544 K567	E540-L542 VanDerWaalsContact C-N 3.35Å; E540-A543 WeakPolarHBondContact O-CB 3.44Å; E540-A543 PolarHBondContact O-N 2.97Å; E540-K544 WeakPolarHBondContact O-CG 3.11Å; E540-K544 PolarHBondContact O-N 3.49Å; E540-K567 IonicContact OE2-NZ 3.73Å; E540-K567 PolarHBondContact OE2-NZ 3.05Å
541	A	89.4	Confident	90.7	Very high	73 Å²	73	41 Å²	41	60%	0.603	22%	0.22	S	C	*	.	H	α-helix	trans	-62.8	-42.7	177.3	0	0	0	0	0	111.5	P539 A543 K544 T545	P539-A541 PolarHBondContact O-N 2.82Å; P539-A541 VanDerWaalsContact O-N 3.15Å; A541-A543 VanDerWaalsContact C-N 3.34Å; A541-K544 PolarHBondContact O-N 3.29Å; A541-T545 PolarHBondContact O-N 2.79Å; A541-T545 PolarHBondContact O-OG1 3.42Å
542	L	91.1	Very high	90.6	Very high	22 Å²	22	39.2 Å²	39.2	12%	0.115	22%	0.224	C	C	.	.	H	α-helix	trans	-67.9	-36.9	175.7	-177.7	57.5	0	0	0	111.1	V407 A409 L444 W516 L536 P539 E540 K544 T545 L546	V407-L542 HydrophobicContact CG1-CD2 4.18Å; A409-L542 HydrophobicContact CB-CD2 4.34Å; L444-L542 HydrophobicContact CD1-CD2 4.34Å; W516-L542 HydrophobicContact CZ2-CD1 3.95Å; L536-L542 HydrophobicContact CD1-CD2 3.69Å; L536-L542 HydrophobicContact CD1-CG 3.98Å; L536-L542 HydrophobicContact CD2-CB 4.48Å; L536-L542 HydrophobicContact CD2-CG 4.33Å; P539-L542 HydrophobicContact CG-CB 4.06Å; P539-L542 WeakPolarHBondContact O-CB 3.14Å; P539-L542 PolarHBondContact O-N 2.88Å; E540-L542 VanDerWaalsContact C-N 3.35Å; L542-K544 VanDerWaalsContact C-N 3.34Å; L542-K544 PolarHBondContact O-N 3.45Å; L542-T545 PolarHBondContact O-N 3.28Å; L542-L546 HydrophobicContact CD1-CD1 4.28Å; L542-L546 HydrophobicContact CD1-CG 4.06Å; L542-L546 HydrophobicContact CG-CD1 4.12Å; L542-L546 HydrophobicContact CG-CG 4.32Å; L542-L546 PolarHBondContact O-N 3.02Å
543	A	90.6	Very high	90.4	Very high	4 Å²	4	40.5 Å²	40.5	3%	0.033	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-44	175.4	0	0	0	0	0	112.7	L536 P539 E540 A541 S547 F565 K567	L536-A543 HydrophobicContact CD2-CB 3.44Å; L536-A543 VanDerWaalsContact CD2-CB 3.44Å; L536-A543 VanDerWaalsContact CD2-N 3.33Å; P539-A543 PolarHBondContact O-N 3.17Å; P539-A543 VanDerWaalsContact O-N 3.1Å; E540-A543 WeakPolarHBondContact O-CB 3.44Å; E540-A543 PolarHBondContact O-N 2.97Å; A541-A543 VanDerWaalsContact C-N 3.34Å; A543-S547 WeakPolarHBondContact O-CB 3.33Å; A543-S547 PolarHBondContact O-N 3.22Å; A543-F565 HydrophobicContact CB-CZ 4.09Å; A543-F565 WeakPolarHBondContact O-CZ 3.4Å; A543-K567 HydrophobicContact CB-CD 3.82Å; A543-K567 HydrophobicContact CB-CG 4.17Å
544	K	90.1	Very high	90.1	Very high	140 Å²	140	40.8 Å²	40.8	61%	0.609	23%	0.233	S	C	*	.	H	α-helix	trans	-62.4	-42.8	175.8	-70.8	-179.1	177.7	-170.1	0	112	E540 A541 L542 K548	E540-K544 WeakPolarHBondContact O-CG 3.11Å; E540-K544 PolarHBondContact O-N 3.49Å; A541-K544 PolarHBondContact O-N 3.29Å; L542-K544 VanDerWaalsContact C-N 3.34Å; L542-K544 PolarHBondContact O-N 3.45Å; K544-K548 WeakPolarHBondContact O-CB 3.38Å; K544-K548 PolarHBondContact O-N 3.43Å
545	T	92.8	Very high	89.6	Confident	63 Å²	63	45.9 Å²	45.9	39%	0.387	26%	0.257	S	S	.	.	H	α-helix	trans	-63.3	-52.6	178.3	-57.4	0	0	0	0	111.3	A541 L542 S547 K548 Q549	A541-T545 PolarHBondContact O-N 2.79Å; A541-T545 PolarHBondContact O-OG1 3.42Å; L542-T545 PolarHBondContact O-N 3.28Å; T545-S547 VanDerWaalsContact C-N 3.34Å; T545-S547 PolarHBondContact O-N 3.1Å; T545-K548 PolarHBondContact O-N 3.24Å; T545-Q549 HydrophobicContact CG2-CG 4.5Å; T545-Q549 WeakPolarHBondContact O-CG 3.35Å; T545-Q549 PolarHBondContact O-N 3.44Å
546	L	93	Very high	88.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-37	-179.4	-68.8	-178.6	0	0	0	112.6	M405 V407 W516 F520 L536 L542 Q549 S550 F565	M405-L546 HydrophobicContact CE-CD2 4.29Å; V407-L546 HydrophobicContact CB-CD1 3.98Å; V407-L546 HydrophobicContact CG1-CD1 3.98Å; V407-L546 HydrophobicContact CG2-CD1 3.94Å; W516-L546 HydrophobicContact CD2-CD2 3.47Å; W516-L546 VanDerWaalsContact CD2-CD2 3.47Å; W516-L546 HydrophobicContact CE3-CD2 3.63Å; W516-L546 HydrophobicContact CG-CD2 3.95Å; W516-L546 HydrophobicContact CH2-CD2 4.21Å; W516-L546 HydrophobicContact CZ2-CD2 4.07Å; W516-L546 HydrophobicContact CZ3-CD2 4.01Å; F520-L546 HydrophobicContact CE2-CD2 3.88Å; F520-L546 HydrophobicContact CZ-CD2 4.21Å; L536-L546 HydrophobicContact CB-CD1 4.09Å; L536-L546 HydrophobicContact CD1-CD1 3.89Å; L536-L546 HydrophobicContact CD2-CD1 4.12Å; L536-L546 HydrophobicContact CG-CD1 4.23Å; L542-L546 HydrophobicContact CD1-CD1 4.28Å; L542-L546 HydrophobicContact CD1-CG 4.06Å; L542-L546 HydrophobicContact CG-CD1 4.12Å; L542-L546 HydrophobicContact CG-CG 4.32Å; L542-L546 PolarHBondContact O-N 3.02Å; L546-Q549 PolarHBondContact O-N 3.21Å; L546-S550 WeakPolarHBondContact O-CB 3.45Å; L546-S550 PolarHBondContact O-N 3Å; L546-S550 PolarHBondContact O-OG 3.24Å; L546-F565 HydrophobicContact CB-CD2 4.07Å; L546-F565 HydrophobicContact CB-CE2 3.57Å; L546-F565 HydrophobicContact CB-CZ 4.34Å; L546-F565 HydrophobicContact CD1-CE2 4.37Å
547	S	90.6	Very high	87.2	Confident	35 Å²	35	51.2 Å²	51.2	25%	0.245	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-46.3	174.2	177.1	0	0	0	0	111.3	A543 T545 Q549 S550 I551	A543-S547 WeakPolarHBondContact O-CB 3.33Å; A543-S547 PolarHBondContact O-N 3.22Å; T545-S547 VanDerWaalsContact C-N 3.34Å; T545-S547 PolarHBondContact O-N 3.1Å; S547-Q549 PolarHBondContact O-N 2.8Å; S547-S550 PolarHBondContact O-N 3.43Å; S547-I551 WeakPolarHBondContact O-CG1 3.27Å; S547-I551 PolarHBondContact O-N 3.13Å; S547-I551 VanDerWaalsContact O-N 3.15Å
548	K	90.6	Very high	85.9	Confident	153 Å²	153	57 Å²	57	67%	0.665	34%	0.337	S	S	*	.	H	α-helix	trans	-59.7	-47.6	175.5	-175.5	-178.8	177.3	-175.4	0	111.1	K544 T545 S550 I551 S552	K544-K548 WeakPolarHBondContact O-CB 3.38Å; K544-K548 PolarHBondContact O-N 3.43Å; T545-K548 PolarHBondContact O-N 3.24Å; K548-S550 VanDerWaalsContact C-N 3.33Å; K548-S550 PolarHBondContact O-N 3.42Å; K548-I551 PolarHBondContact O-N 3.47Å; K548-S552 PolarHBondContact O-N 2.75Å; K548-S552 PolarHBondContact O-OG 3.02Å
549	Q	91.6	Very high	85	Confident	33 Å²	33	65.5 Å²	65.5	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-63.6	-37.8	-179.9	-69.8	-61.7	-12.5	0	0	112.8	W516 F520 T545 L546 S547 I551 S552 N553	W516-Q549 HydrophobicContact CB-CG 4.02Å; F520-Q549 HydrophobicContact CD1-CB 4.4Å; F520-Q549 HydrophobicContact CD2-CB 4.14Å; F520-Q549 HydrophobicContact CE1-CB 4.28Å; F520-Q549 HydrophobicContact CE2-CB 3.95Å; F520-Q549 HydrophobicContact CG-CB 4.32Å; F520-Q549 HydrophobicContact CZ-CB 4.02Å; T545-Q549 HydrophobicContact CG2-CG 4.5Å; T545-Q549 WeakPolarHBondContact O-CG 3.35Å; T545-Q549 PolarHBondContact O-N 3.44Å; L546-Q549 PolarHBondContact O-N 3.21Å; S547-Q549 PolarHBondContact O-N 2.8Å; Q549-I551 VanDerWaalsContact C-N 3.3Å; Q549-I551 PolarHBondContact O-N 3.23Å; Q549-S552 WeakPolarHBondContact CA-OG 3.42Å; Q549-S552 PolarHBondContact O-N 3.02Å; Q549-S552 PolarHBondContact O-OG 3.3Å; Q549-S552 VanDerWaalsContact O-OG 3.11Å; Q549-S552 PolarHBondContact OE1-OG 3.1Å; Q549-N553 WeakPolarHBondContact O-CB 3.4Å; Q549-N553 PolarHBondContact O-N 2.87Å; Q549-N553 PolarHBondContact O-ND2 3.43Å; Q549-N553 PolarHBondContact OE1-ND2 3.18Å
550	S	90.3	Very high	84.5	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.4	-38	175.5	-58.1	0	0	0	0	111.7	F520 L546 S547 K548 S554	F520-S550 WeakPolarHBondContact CE1-OG 3.18Å; L546-S550 WeakPolarHBondContact O-CB 3.45Å; L546-S550 PolarHBondContact O-N 3Å; L546-S550 PolarHBondContact O-OG 3.24Å; S547-S550 PolarHBondContact O-N 3.43Å; K548-S550 VanDerWaalsContact C-N 3.33Å; K548-S550 PolarHBondContact O-N 3.42Å; S550-S554 WeakPolarHBondContact O-CB 3.05Å; S550-S554 PolarHBondContact O-N 2.7Å; S550-S554 PolarHBondContact O-OG 3.36Å
551	I	86.8	Confident	84.5	Confident	53 Å²	53	59 Å²	59	27%	0.272	33%	0.325	S	S	.	.	H	α-helix	trans	-74.8	-41.6	179.5	-64.9	166.1	0	0	0	111.4	N3 S547 K548 Q549	N3-I551 PolarHBondContact ND2-O 2.99Å; S547-I551 WeakPolarHBondContact O-CG1 3.27Å; S547-I551 PolarHBondContact O-N 3.13Å; S547-I551 VanDerWaalsContact O-N 3.15Å; K548-I551 PolarHBondContact O-N 3.47Å; Q549-I551 VanDerWaalsContact C-N 3.3Å; Q549-I551 PolarHBondContact O-N 3.23Å
552	S	87.8	Confident	84.5	Confident	71 Å²	71	56.5 Å²	56.5	50%	0.497	30%	0.301	S	S	.	.	H	α-helix	trans	-70.2	-36.1	-177.7	55.2	0	0	0	0	113.2	K548 Q549	K548-S552 PolarHBondContact O-N 2.75Å; K548-S552 PolarHBondContact O-OG 3.02Å; Q549-S552 WeakPolarHBondContact CA-OG 3.42Å; Q549-S552 PolarHBondContact O-N 3.02Å; Q549-S552 PolarHBondContact O-OG 3.3Å; Q549-S552 VanDerWaalsContact O-OG 3.11Å; Q549-S552 PolarHBondContact OE1-OG 3.1Å
553	N	87.2	Confident	84.4	Confident	26 Å²	26	55.5 Å²	55.5	14%	0.139	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	4.8	-178.6	-64.8	-77.5	0	0	0	113.4	F520 Q549 F563	F520-N553 HydrophobicContact CB-CB 3.98Å; F520-N553 HydrophobicContact CD1-CB 4.24Å; Q549-N553 WeakPolarHBondContact O-CB 3.4Å; Q549-N553 PolarHBondContact O-N 2.87Å; Q549-N553 PolarHBondContact O-ND2 3.43Å; Q549-N553 PolarHBondContact OE1-ND2 3.18Å; N553-F563 HydrophobicContact CB-CD2 4.19Å; N553-F563 HydrophobicContact CB-CE2 4.04Å; N553-F563 WeakPolarHBondContact O-CD2 3.39Å; N553-F563 WeakPolarHBondContact O-CE2 3.44Å
554	S	85.6	Confident	84.3	Confident	7 Å²	7	55.4 Å²	55.4	5%	0.049	29%	0.294	C	S	.	.			trans	-81.9	148.7	167.7	-69	0	0	0	0	110.3	N3 S550 V561 F563	N3-S554 VanDerWaalsContact CG-O 3.22Å; N3-S554 PolarHBondContact ND2-O 3.35Å; N3-S554 PolarHBondContact OD1-O 3.26Å; S550-S554 WeakPolarHBondContact O-CB 3.05Å; S550-S554 PolarHBondContact O-N 2.7Å; S550-S554 PolarHBondContact O-OG 3.36Å; S554-V561 CarbonylContact C-O 3.5Å; S554-V561 WeakPolarHBondContact CA-O 3.45Å; S554-F563 PolarHBondContact OG-N 3.18Å; S554-F563 PolarHBondContact OG-O 3.49Å
555	E	83.6	Confident	84.3	Confident	107 Å²	107	50.3 Å²	50.3	50%	0.5	27%	0.272	S	S	.	.			trans	-100.4	153.6	174.4	-70.8	176.7	-169.5	0	0	111.3	N3 G560 V561 H562	N3-E555 PolarHBondContact OD1-O 3.2Å; N3-E555 VanDerWaalsContact OD1-O 3.1Å; E555-G560 WeakPolarHBondContact OE2-CA 3.38Å; E555-V561 PolarHBondContact N-O 2.88Å; E555-H562 PolarHBondContact O-CE1 2.92Å; E555-H562 PolarHBondContact O-ND1 3.21Å
556	S	67.9	Low	84.1	Confident	77 Å²	77	47.7 Å²	47.7	54%	0.538	26%	0.256	S	S	.	.	S	Bend	trans	-87.3	-12.8	-173.4	-73.4	0	0	0	0	114.2	N3	N3-S556 PolarHBondContact N-OG 2.77Å; N3-S556 WeakPolarHBondContact OD1-CA 3.42Å; N3-S556 WeakPolarHBondContact OD1-CB 3.04Å; N3-S556 PolarHBondContact OD1-N 3.37Å; N3-S556 PolarHBondContact OD1-OG 2.05Å
557	G	68.4	Low	83.7	Confident	34 Å²	34	50.1 Å²	50.1	35%	0.351	27%	0.266	S	S	.	.	S	Bend	trans	-86.5	154.1	179.9	0	0	0	0	0	112.8	R559 G560 H562	G557-R559 PolarHBondContact O-N 2.94Å; G557-G560 PolarHBondContact O-N 3.21Å; G557-H562 PolarHBondContact O-CE1 3.19Å; G557-H562 PolarHBondContact O-NE2 3.44Å
558	P	63.2	Low	83	Confident	131 Å²	131	49 Å²	49	85%	0.851	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-14.1	178.5	26.6	-33.9	0	0	0	114.1
559	R	70.6	Confident	81.7	Confident	204 Å²	204	45.6 Å²	45.6	77%	0.77	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	8.5	173.6	-76.5	-170.9	-75.4	170	-3.3	112.4	N529 G557	N529-R559 VanDerWaalsContact CG-O 3.24Å; N529-R559 WeakPolarHBondContact OD1-CA 3.42Å; N529-R559 WeakPolarHBondContact OD1-CB 3.11Å; N529-R559 PolarHBondContact OD1-O 3.47Å; G557-R559 PolarHBondContact O-N 2.94Å
560	G	77.7	Confident	80.1	Confident	2 Å²	2	49.9 Å²	49.9	2%	0.021	27%	0.265	C	S	.	.	S	Bend	trans	-87.1	165	-179.8	0	0	0	0	0	113	E555 G557 H562	E555-G560 WeakPolarHBondContact OE2-CA 3.38Å; G557-G560 PolarHBondContact O-N 3.21Å; G560-H562 PolarHBondContact O-CD2 3.18Å
561	V	86.3	Confident	79.6	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.018	28%	0.278	C	S	.	.			trans	-74	133	168.4	-177.6	0	0	0	0	109.3	A524 H527 I532 S554 E555 F563	A524-V561 HydrophobicContact CB-CB 4.48Å; A524-V561 HydrophobicContact CB-CG1 4.27Å; H527-V561 VanDerWaalsContact O-CG2 3.26Å; H527-V561 WeakPolarHBondContact O-CG2 3.38Å; I532-V561 HydrophobicContact CD1-CG1 3.54Å; I532-V561 HydrophobicContact CG1-CG1 4.4Å; S554-V561 CarbonylContact C-O 3.5Å; S554-V561 WeakPolarHBondContact CA-O 3.45Å; E555-V561 PolarHBondContact N-O 2.88Å; V561-F563 HydrophobicContact CG1-CD2 4.24Å; V561-F563 HydrophobicContact CG1-CE2 3.76Å; V561-F563 HydrophobicContact CG1-CZ 4.18Å
562	H	88.3	Confident	79.2	Confident	22 Å²	22	52.3 Å²	52.3	10%	0.102	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	115.6	179.2	-57.4	-65.6	0	0	0	111	T530 R531 I532 E555 G557 G560	T530-H562 PolarHBondContact O-N 3.19Å; R531-H562 CarbonylContact C-O 3.57Å; R531-H562 WeakPolarHBondContact CA-O 3.35Å; R531-H562 HydrophobicContact CG-CB 4.37Å; I532-H562 PolarHBondContact N-O 3Å; E555-H562 PolarHBondContact O-CE1 2.92Å; E555-H562 PolarHBondContact O-ND1 3.21Å; G557-H562 PolarHBondContact O-CE1 3.19Å; G557-H562 PolarHBondContact O-NE2 3.44Å; G560-H562 PolarHBondContact O-CD2 3.18Å
563	F	90.4	Very high	78.8	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	123.7	172.7	-67	-89.9	0	0	0	110.3	N7 F520 I523 A524 I532 V534 N553 S554 V561	N7-F563 PolarHBondContact ND2-O 3Å; F520-F563 HydrophobicContact CB-CZ 4.41Å; F520-F563 HydrophobicContact CD1-CB 4.5Å; F520-F563 AromaticContact CD1-CD1 3.58Å; F520-F563 HydrophobicContact CD1-CD1 3.58Å; F520-F563 HydrophobicContact CD1-CD2 4.01Å; F520-F563 AromaticContact CD1-CE1 3.63Å; F520-F563 HydrophobicContact CD1-CE1 3.63Å; F520-F563 HydrophobicContact CD1-CE2 4.06Å; F520-F563 AromaticContact CD1-CG 3.77Å; F520-F563 HydrophobicContact CD1-CG 3.77Å; F520-F563 AromaticContact CD1-CZ 3.88Å; F520-F563 HydrophobicContact CD1-CZ 3.88Å; F520-F563 HydrophobicContact CE1-CB 4.17Å; F520-F563 AromaticContact CE1-CD1 3.59Å; F520-F563 HydrophobicContact CE1-CD1 3.59Å; F520-F563 HydrophobicContact CE1-CE1 4.05Å; F520-F563 AromaticContact CE1-CG 3.84Å; F520-F563 HydrophobicContact CE1-CG 3.84Å; F520-F563 HydrophobicContact CG-CE1 4.37Å; F520-F563 HydrophobicContact CG-CZ 4.47Å; F520-F563 WeakPolarHBondContact O-CZ 3.49Å; I523-F563 HydrophobicContact CB-CE1 4.48Å; I523-F563 HydrophobicContact CB-CZ 4.43Å; I523-F563 HydrophobicContact CG2-CE1 4.18Å; I523-F563 HydrophobicContact CG2-CZ 4.37Å; A524-F563 HydrophobicContact CB-CE2 3.99Å; A524-F563 HydrophobicContact CB-CZ 4.07Å; I532-F563 HydrophobicContact CB-CD1 3.88Å; I532-F563 HydrophobicContact CB-CE1 4.08Å; I532-F563 HydrophobicContact CD1-CD1 4.08Å; I532-F563 HydrophobicContact CD1-CE1 3.48Å; I532-F563 VanDerWaalsContact CD1-CE1 3.48Å; I532-F563 HydrophobicContact CD1-CE2 4.32Å; I532-F563 HydrophobicContact CD1-CZ 3.62Å; I532-F563 HydrophobicContact CG1-CE1 4.4Å; I532-F563 HydrophobicContact CG2-CD1 3.9Å; I532-F563 HydrophobicContact CG2-CE1 3.96Å; V534-F563 HydrophobicContact CG2-CB 4.22Å; V534-F563 HydrophobicContact CG2-CD1 3.8Å; N553-F563 HydrophobicContact CB-CD2 4.19Å; N553-F563 HydrophobicContact CB-CE2 4.04Å; N553-F563 WeakPolarHBondContact O-CD2 3.39Å; N553-F563 WeakPolarHBondContact O-CE2 3.44Å; S554-F563 PolarHBondContact OG-N 3.18Å; S554-F563 PolarHBondContact OG-O 3.49Å; V561-F563 HydrophobicContact CG1-CD2 4.24Å; V561-F563 HydrophobicContact CG1-CE2 3.76Å; V561-F563 HydrophobicContact CG1-CZ 4.18Å
564	I	88.6	Confident	78.3	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.015	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	103.8	-177.8	-54.6	-165.6	0	0	0	108.8	Y401 I532 V534	Y401-I564 HydrophobicContact CE1-CB 4.04Å; Y401-I564 HydrophobicContact CE1-CD1 4Å; Y401-I564 HydrophobicContact CE1-CG1 4.3Å; Y401-I564 WeakPolarHBondContact OH-CG2 3.35Å; I532-I564 PolarHBondContact O-N 2.78Å; V534-I564 PolarHBondContact N-O 3.24Å
565	F	89.9	Confident	77.8	Confident	32 Å²	32	55.6 Å²	55.6	14%	0.14	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	125.2	-179	-174.6	-109.8	0	0	0	111.9	V534 L536 A543 L546 K567	V534-F565 HydrophobicContact CB-CD2 4.32Å; V534-F565 HydrophobicContact CG1-CD2 3.85Å; V534-F565 HydrophobicContact CG1-CE2 4.37Å; L536-F565 HydrophobicContact CB-CE2 3.91Å; L536-F565 HydrophobicContact CB-CZ 4.14Å; L536-F565 HydrophobicContact CD2-CE2 4.37Å; L536-F565 HydrophobicContact CD2-CZ 4.05Å; A543-F565 HydrophobicContact CB-CZ 4.09Å; A543-F565 WeakPolarHBondContact O-CZ 3.4Å; L546-F565 HydrophobicContact CB-CD2 4.07Å; L546-F565 HydrophobicContact CB-CE2 3.57Å; L546-F565 HydrophobicContact CB-CZ 4.34Å; L546-F565 HydrophobicContact CD1-CE2 4.37Å; F565-K567 HydrophobicContact CE1-CB 3.84Å; F565-K567 HydrophobicContact CE1-CG 4.5Å; F565-K567 HydrophobicContact CZ-CB 4Å; F565-K567 HydrophobicContact CZ-CG 4.34Å
566	N	87.6	Confident	77.4	Confident	8 Å²	8	52.2 Å²	52.2	4%	0.043	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	123.7	177.1	-64.8	-51	0	0	0	108	A394 Y401 V534 F535 L536	A394-N566 HydrophobicContact CB-CB 4.05Å; Y401-N566 PolarHBondContact OH-ND2 2.66Å; V534-N566 PolarHBondContact O-N 3.1Å; F535-N566 WeakPolarHBondContact CA-O 2.96Å; F535-N566 HydrophobicContact CD1-CB 3.59Å; F535-N566 HydrophobicContact CE1-CB 3.72Å; F535-N566 WeakPolarHBondContact CE1-ND2 3.24Å; F535-N566 HydrophobicContact CG-CB 4.32Å; F535-N566 WeakPolarHBondContact CZ-ND2 3.45Å; L536-N566 PolarHBondContact N-O 3.24Å
567	K	84	Confident	78.1	Confident	52 Å²	52	50.4 Å²	50.4	23%	0.226	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	128.8	-179.5	-168.3	-155.3	166.4	-160.2	0	109.5	E540 A543 F565 N569	E540-K567 IonicContact OE2-NZ 3.73Å; E540-K567 PolarHBondContact OE2-NZ 3.05Å; A543-K567 HydrophobicContact CB-CD 3.82Å; A543-K567 HydrophobicContact CB-CG 4.17Å; F565-K567 HydrophobicContact CE1-CB 3.84Å; F565-K567 HydrophobicContact CE1-CG 4.5Å; F565-K567 HydrophobicContact CZ-CB 4Å; F565-K567 HydrophobicContact CZ-CG 4.34Å; K567-N569 PolarHBondContact O-ND2 2.85Å
568	E	77.7	Confident	78.8	Confident	10 Å²	10	51.7 Å²	51.7	5%	0.047	25%	0.247	C	C	.	.			trans	-68.5	133.3	167.5	-66.6	-51.4	145.3	0	0	111.2	T393 S395 L536 C537 F570	T393-E568 VanDerWaalsContact CB-OE2 3.31Å; T393-E568 WeakPolarHBondContact CB-OE2 3.38Å; S395-E568 WeakPolarHBondContact CA-OE1 3.44Å; S395-E568 WeakPolarHBondContact CB-OE1 3.47Å; S395-E568 PolarHBondContact N-OE1 3.11Å; S395-E568 VanDerWaalsContact OG-CD 3.28Å; S395-E568 PolarHBondContact OG-OE1 3.35Å; L536-E568 WeakPolarHBondContact O-CB 3.13Å; L536-E568 PolarHBondContact O-N 3.28Å; C537-E568 HydrophobicContact CB-CB 3.99Å; C537-E568 HydrophobicContact CB-CG 3.96Å; E568-F570 HydrophobicContact CB-CD2 4.31Å; E568-F570 HydrophobicContact CB-CE1 4.03Å; E568-F570 HydrophobicContact CB-CE2 3.61Å; E568-F570 HydrophobicContact CB-CZ 3.46Å; E568-F570 VanDerWaalsContact CB-CZ 3.46Å; E568-F570 HydrophobicContact CG-CE1 4.38Å; E568-F570 HydrophobicContact CG-CE2 4.02Å; E568-F570 HydrophobicContact CG-CZ 3.6Å; E568-F570 WeakPolarHBondContact OE2-CE1 3.4Å; E568-F570 WeakPolarHBondContact OE2-CZ 3.18Å
569	N	62.8	Low	80.1	Confident	83 Å²	83	45.1 Å²	45.1	44%	0.444	20%	0.197	S	C	.	.			trans	-121.9	78.5	-177.4	-65.9	-54.3	0	0	0	108.8	K567	K567-N569 PolarHBondContact O-ND2 2.85Å
570	F	57.9	Low	81	Confident	122 Å²	122	30.6 Å²	30.6	54%	0.535	15%	0.145	S	C	.	.			trans	-108.8	0	168.6	-26.7	-55.6	0	0	0	109.4	Y324 T341 T393 P415 E568	Y324-F570 HydrophobicContact CD1-CD1 4.31Å; Y324-F570 HydrophobicContact CD1-CE1 4.33Å; Y324-F570 HydrophobicContact CG-CD1 4.46Å; T341-F570 WeakPolarHBondContact OG1-CE2 3.4Å; T393-F570 HydrophobicContact CG2-CE1 3.62Å; T393-F570 HydrophobicContact CG2-CZ 4.31Å; P415-F570 HydrophobicContact CG-CE2 4.34Å; E568-F570 HydrophobicContact CB-CD2 4.31Å; E568-F570 HydrophobicContact CB-CE1 4.03Å; E568-F570 HydrophobicContact CB-CE2 3.61Å; E568-F570 HydrophobicContact CB-CZ 3.46Å; E568-F570 VanDerWaalsContact CB-CZ 3.46Å; E568-F570 HydrophobicContact CG-CE1 4.38Å; E568-F570 HydrophobicContact CG-CE2 4.02Å; E568-F570 HydrophobicContact CG-CZ 3.6Å; E568-F570 WeakPolarHBondContact OE2-CE1 3.4Å; E568-F570 WeakPolarHBondContact OE2-CZ 3.18Å

Retrieved 570 of 570 residues in 230.9 ms (Link to these results)

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