A0A087Y9Y3_POEFO Loading...

P2X purinoceptor

ATP-gated nonselective transmembrane cation channel permeable to potassium, sodium and calcium. Activation by extracellular ATP induces a variety of cellular responses, such as excitatory postsynaptic responses in sensory neurons, neuromuscular junctions (NMJ) formation, hearing, perception of taste and peristalsis. In the inner ear, regulates sound transduction and auditory neurotransmission, outer hair cell electromotility, inner ear gap junctions, and K(+) recycling. Mediates synaptic transmission between neurons and from neurons to smooth muscle. Receptor for ATP that acts as a ligand-gated ion channel.

AlphaFold DB , UniProt , Accession A0A087Y9Y3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 414 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	45.2	Very low	56.5	Low	246 Å²	246	109 Å²	109	100%	1.212	60%	0.604	S	S	*	*				0	106.5	0	-165.8	175.2	78.4	0	0	107.3
2	S	53.2	Low	57.4	Low	67 Å²	67	108.4 Å²	108.4	47%	0.469	60%	0.598	S	S	.	*			cis	-162.2	121	1	-179.8	0	0	0	0	107	G4 L5	S2-G4 PolarHBondContact O-N 3.24Å; S2-G4 VanDerWaalsContact O-N 3.11Å; S2-G4 WeakPolarHBondContact OG-CA 3.45Å; S2-G4 PolarHBondContact OG-N 3.45Å; S2-G4 VanDerWaalsContact OG-N 3.09Å; S2-L5 PolarHBondContact O-N 3.49Å
3	E	54.3	Low	58.2	Low	182 Å²	182	112.7 Å²	112.7	85%	0.85	60%	0.599	S	S	*	*	H	α-helix	trans	-53.9	-22.3	164.3	-77	178.6	139.8	0	0	111.5	T7	E3-T7 PolarHBondContact O-N 2.91Å; E3-T7 PolarHBondContact O-OG1 3.39Å
4	G	57.4	Low	59.2	Low	39 Å²	39	110.1 Å²	110.1	40%	0.402	59%	0.586	S	S	.	*	H	α-helix	trans	-66.3	-27	171.4	0	0	0	0	0	115.3	S2 T7 A8	S2-G4 PolarHBondContact O-N 3.24Å; S2-G4 VanDerWaalsContact O-N 3.11Å; S2-G4 WeakPolarHBondContact OG-CA 3.45Å; S2-G4 PolarHBondContact OG-N 3.45Å; S2-G4 VanDerWaalsContact OG-N 3.09Å; G4-T7 VanDerWaalsContact CA-OG1 3.24Å; G4-T7 WeakPolarHBondContact CA-OG1 3.38Å; G4-T7 PolarHBondContact O-OG1 2.88Å; G4-A8 VanDerWaalsContact O-CB 3.28Å; G4-A8 WeakPolarHBondContact O-CB 3.12Å; G4-A8 PolarHBondContact O-N 3.09Å; G4-A8 VanDerWaalsContact O-N 3.11Å
5	L	54.8	Low	60.1	Low	122 Å²	122	111.9 Å²	111.9	64%	0.639	59%	0.587	S	S	*	*	H	α-helix	trans	-78.6	-36.7	178.1	-161.6	83.9	0	0	0	111.1	S2 V9	S2-L5 PolarHBondContact O-N 3.49Å; L5-V9 WeakPolarHBondContact O-CB 3.16Å; L5-V9 VanDerWaalsContact O-CG2 3.24Å; L5-V9 WeakPolarHBondContact O-CG2 3.48Å; L5-V9 PolarHBondContact O-N 3.21Å
6	Y	57.2	Low	61	Low	185 Å²	185	111.3 Å²	111.3	73%	0.725	58%	0.584	S	S	*	*	H	α-helix	trans	-68.9	-39.3	176.1	-112.3	-89.1	0	0	0	112	M10	Y6-M10 WeakPolarHBondContact O-CB 3.34Å; Y6-M10 WeakPolarHBondContact O-CG 3.44Å; Y6-M10 PolarHBondContact O-N 3Å
7	T	57.9	Low	61.8	Low	84 Å²	84	111.9 Å²	111.9	52%	0.515	58%	0.58	S	S	.	*	H	α-helix	trans	-69.6	-37.6	174.7	35	0	0	0	0	112.5	E3 G4 G11	E3-T7 PolarHBondContact O-N 2.91Å; E3-T7 PolarHBondContact O-OG1 3.39Å; G4-T7 VanDerWaalsContact CA-OG1 3.24Å; G4-T7 WeakPolarHBondContact CA-OG1 3.38Å; G4-T7 PolarHBondContact O-OG1 2.88Å; T7-G11 PolarHBondContact O-N 2.96Å
8	A	59.6	Low	62.7	Low	50 Å²	50	113.8 Å²	113.8	41%	0.413	59%	0.586	S	S	.	*	H	α-helix	trans	-66.3	-41.3	174	0	0	0	0	0	113	G4 G11 I12	G4-A8 VanDerWaalsContact O-CB 3.28Å; G4-A8 WeakPolarHBondContact O-CB 3.12Å; G4-A8 PolarHBondContact O-N 3.09Å; G4-A8 VanDerWaalsContact O-N 3.11Å; A8-G11 PolarHBondContact O-N 3.28Å; A8-I12 WeakPolarHBondContact O-CB 3.37Å; A8-I12 WeakPolarHBondContact O-CD1 3.46Å; A8-I12 VanDerWaalsContact O-CG1 3.25Å; A8-I12 WeakPolarHBondContact O-CG1 3.35Å; A8-I12 PolarHBondContact O-N 3.25Å
9	V	60.8	Low	63.5	Low	91 Å²	91	116.3 Å²	116.3	55%	0.552	59%	0.588	S	S	*	*	H	α-helix	trans	-69.3	-36.8	177.3	172.5	0	0	0	0	111.7	L5 R13	L5-V9 WeakPolarHBondContact O-CB 3.16Å; L5-V9 VanDerWaalsContact O-CG2 3.24Å; L5-V9 WeakPolarHBondContact O-CG2 3.48Å; L5-V9 PolarHBondContact O-N 3.21Å; V9-R13 VanDerWaalsContact O-CB 3.32Å; V9-R13 WeakPolarHBondContact O-CB 3.44Å; V9-R13 PolarHBondContact O-N 2.97Å
10	M	57.5	Low	64.2	Low	93 Å²	93	116.9 Å²	116.9	46%	0.458	59%	0.587	S	S	.	*	H	α-helix	trans	-68.1	-43.2	172.4	-74.9	-166.9	-62.6	0	0	112.1	Y6 I12 R13 D14	Y6-M10 WeakPolarHBondContact O-CB 3.34Å; Y6-M10 WeakPolarHBondContact O-CG 3.44Å; Y6-M10 PolarHBondContact O-N 3Å; M10-I12 PolarHBondContact O-N 3.07Å; M10-R13 WeakPolarHBondContact O-CB 3.05Å; M10-R13 PolarHBondContact O-N 2.97Å; M10-R13 VanDerWaalsContact O-N 3.15Å; M10-D14 WeakPolarHBondContact O-CB 3.4Å; M10-D14 VanDerWaalsContact O-CG 3.27Å; M10-D14 PolarHBondContact O-N 3.46Å
11	G	63.4	Low	64.9	Low	40 Å²	40	115.5 Å²	115.5	41%	0.412	58%	0.582	S	S	.	*	H	α-helix	trans	-62.7	-37.9	176	0	0	0	0	0	113.5	T7 A8 F15	T7-G11 PolarHBondContact O-N 2.96Å; A8-G11 PolarHBondContact O-N 3.28Å; G11-F15 WeakPolarHBondContact O-CB 3.36Å; G11-F15 PolarHBondContact O-N 3.18Å
12	I	67.8	Low	66.4	Low	102 Å²	102	105.6 Å²	105.6	52%	0.523	54%	0.542	S	S	.	.	H	α-helix	trans	-69.2	-38.1	173.1	-69.7	164.1	0	0	0	111	A8 M10 L16	A8-I12 WeakPolarHBondContact O-CB 3.37Å; A8-I12 WeakPolarHBondContact O-CD1 3.46Å; A8-I12 VanDerWaalsContact O-CG1 3.25Å; A8-I12 WeakPolarHBondContact O-CG1 3.35Å; A8-I12 PolarHBondContact O-N 3.25Å; M10-I12 PolarHBondContact O-N 3.07Å; I12-L16 HydrophobicContact CG2-CD1 3.74Å; I12-L16 HydrophobicContact CG2-CG 4.33Å; I12-L16 VanDerWaalsContact O-CB 3.22Å; I12-L16 WeakPolarHBondContact O-CB 3.18Å; I12-L16 WeakPolarHBondContact O-CD1 3.21Å; I12-L16 WeakPolarHBondContact O-CG 3.14Å; I12-L16 PolarHBondContact O-N 3.4Å
13	R	68	Low	67.8	Low	164 Å²	164	109.5 Å²	109.5	62%	0.619	55%	0.551	S	S	*	*	H	α-helix	trans	-66.7	-40.4	176.4	-164.2	-178.1	82.8	160.4	3.7	111.7	V9 M10 K17	V9-R13 VanDerWaalsContact O-CB 3.32Å; V9-R13 WeakPolarHBondContact O-CB 3.44Å; V9-R13 PolarHBondContact O-N 2.97Å; M10-R13 WeakPolarHBondContact O-CB 3.05Å; M10-R13 PolarHBondContact O-N 2.97Å; M10-R13 VanDerWaalsContact O-N 3.15Å; R13-K17 WeakPolarHBondContact O-CB 3.37Å; R13-K17 PolarHBondContact O-N 2.98Å
14	D	71.6	Confident	69.3	Low	77 Å²	77	109.1 Å²	109.1	41%	0.412	54%	0.542	S	S	.	.	H	α-helix	trans	-73.8	-38.4	179	-66.9	-24.3	0	0	0	110.9	M10 K17 E18	M10-D14 WeakPolarHBondContact O-CB 3.4Å; M10-D14 VanDerWaalsContact O-CG 3.27Å; M10-D14 PolarHBondContact O-N 3.46Å; D14-K17 CarbonylContact O-C 3.58Å; D14-K17 PolarHBondContact O-N 2.97Å; D14-E18 WeakPolarHBondContact O-CB 3.45Å; D14-E18 PolarHBondContact O-N 3.2Å
15	F	72.7	Confident	70.8	Confident	137 Å²	137	113 Å²	113	60%	0.601	55%	0.553	S	S	*	*	H	α-helix	trans	-63	-45.3	170.7	-179.9	-98.3	0	0	0	112.5	G11 K17 E18 Y19	G11-F15 WeakPolarHBondContact O-CB 3.36Å; G11-F15 PolarHBondContact O-N 3.18Å; F15-K17 VanDerWaalsContact C-N 3.27Å; F15-K17 PolarHBondContact O-N 2.91Å; F15-E18 PolarHBondContact O-N 3.43Å; F15-Y19 VanDerWaalsContact O-CB 3.3Å; F15-Y19 WeakPolarHBondContact O-CB 3.41Å; F15-Y19 PolarHBondContact O-N 3Å
16	L	75	Confident	72.3	Confident	102 Å²	102	116.8 Å²	116.8	53%	0.534	56%	0.561	S	S	.	*	H	α-helix	trans	-64.8	-34	174.8	-77.7	167.6	0	0	0	111.6	I12 F20	I12-L16 HydrophobicContact CG2-CD1 3.74Å; I12-L16 HydrophobicContact CG2-CG 4.33Å; I12-L16 VanDerWaalsContact O-CB 3.22Å; I12-L16 WeakPolarHBondContact O-CB 3.18Å; I12-L16 WeakPolarHBondContact O-CD1 3.21Å; I12-L16 WeakPolarHBondContact O-CG 3.14Å; I12-L16 PolarHBondContact O-N 3.4Å; L16-F20 WeakPolarHBondContact O-CB 3.26Å; L16-F20 PolarHBondContact O-N 3.46Å
17	K	74.4	Confident	73.7	Confident	122 Å²	122	116.6 Å²	116.6	53%	0.53	57%	0.566	S	S	.	*	H	α-helix	trans	-72.3	-39.5	176.7	-170.5	178.7	-179.6	-171.8	0	111.7	R13 D14 F15 N21	R13-K17 WeakPolarHBondContact O-CB 3.37Å; R13-K17 PolarHBondContact O-N 2.98Å; D14-K17 CarbonylContact O-C 3.58Å; D14-K17 PolarHBondContact O-N 2.97Å; F15-K17 VanDerWaalsContact C-N 3.27Å; F15-K17 PolarHBondContact O-N 2.91Å; K17-N21 WeakPolarHBondContact O-CB 3.26Å; K17-N21 PolarHBondContact O-N 2.93Å; K17-N21 PolarHBondContact O-ND2 2.83Å; K17-N21 PolarHBondContact O-OD1 3.37Å
18	E	77.5	Confident	75.2	Confident	145 Å²	145	116.9 Å²	116.9	68%	0.678	57%	0.568	S	S	*	*	H	α-helix	trans	-66.5	-43.2	172.3	-81	-176.5	164.7	0	0	111.8	D14 F15 N21 G22	D14-E18 WeakPolarHBondContact O-CB 3.45Å; D14-E18 PolarHBondContact O-N 3.2Å; F15-E18 PolarHBondContact O-N 3.43Å; E18-N21 PolarHBondContact O-N 3.25Å; E18-G22 PolarHBondContact O-N 3.47Å
19	Y	78.1	Confident	76.5	Confident	162 Å²	162	119.5 Å²	119.5	64%	0.635	58%	0.581	S	S	*	*	H	α-helix	trans	-65.1	-42.1	175.8	-171.7	-97.3	0	0	0	111.9	F15 G22 F23	F15-Y19 VanDerWaalsContact O-CB 3.3Å; F15-Y19 WeakPolarHBondContact O-CB 3.41Å; F15-Y19 PolarHBondContact O-N 3Å; Y19-G22 PolarHBondContact O-N 2.73Å; Y19-F23 WeakPolarHBondContact O-CB 3.48Å; Y19-F23 PolarHBondContact O-N 3.43Å
20	F	78.6	Confident	77.7	Confident	128 Å²	128	125 Å²	125	56%	0.561	60%	0.598	S	S	*	*	H	α-helix	trans	-67	-42.5	176.6	-162.1	-99.3	0	0	0	111	L16 F23 W24	L16-F20 WeakPolarHBondContact O-CB 3.26Å; L16-F20 PolarHBondContact O-N 3.46Å; F20-F23 WeakPolarHBondContact O-CB 3.37Å; F20-F23 PolarHBondContact O-N 2.95Å; F20-W24 AromaticContact CD1-CD1 3.84Å; F20-W24 AromaticContact CD1-NE1 3.49Å; F20-W24 AromaticContact CE1-CD1 3.85Å; F20-W24 AromaticContact CE1-NE1 3.08Å; F20-W24 HydrophobicContact CZ-CZ2 4.24Å; F20-W24 AromaticContact CZ-NE1 3.42Å; F20-W24 PolarHBondContact O-N 3.06Å
21	N	77.4	Confident	78.9	Confident	88 Å²	88	128 Å²	128	47%	0.471	61%	0.613	S	S	.	*	H	α-helix	trans	-64.2	-44	175.3	-72.3	-9.7	0	0	0	111.6	K17 E18 F23 W24 D25	K17-N21 WeakPolarHBondContact O-CB 3.26Å; K17-N21 PolarHBondContact O-N 2.93Å; K17-N21 PolarHBondContact O-ND2 2.83Å; K17-N21 PolarHBondContact O-OD1 3.37Å; E18-N21 PolarHBondContact O-N 3.25Å; N21-F23 PolarHBondContact O-N 2.92Å; N21-W24 PolarHBondContact O-N 2.95Å; N21-D25 PolarHBondContact O-N 3.18Å
22	G	78.1	Confident	79.9	Confident	38 Å²	38	129.7 Å²	129.7	39%	0.392	61%	0.61	S	S	.	*	H	α-helix	trans	-61.1	-30.4	174.8	0	0	0	0	0	113.5	E18 Y19 W24 D25	E18-G22 PolarHBondContact O-N 3.47Å; Y19-G22 PolarHBondContact O-N 2.73Å; G22-W24 VanDerWaalsContact C-N 3.28Å; G22-W24 PolarHBondContact O-N 2.98Å; G22-D25 WeakPolarHBondContact CA-OD2 3.28Å; G22-D25 WeakPolarHBondContact O-CB 3.4Å; G22-D25 PolarHBondContact O-N 3.16Å
23	F	81.1	Confident	80.7	Confident	148 Å²	148	130.7 Å²	130.7	65%	0.649	62%	0.621	S	S	*	*	H	α-helix	trans	-67.1	-27.6	173.3	-179	-95.9	0	0	0	113.1	Y19 F20 N21	Y19-F23 WeakPolarHBondContact O-CB 3.48Å; Y19-F23 PolarHBondContact O-N 3.43Å; F20-F23 WeakPolarHBondContact O-CB 3.37Å; F20-F23 PolarHBondContact O-N 2.95Å; N21-F23 PolarHBondContact O-N 2.92Å
24	W	86.4	Confident	81.5	Confident	174 Å²	174	125.2 Å²	125.2	66%	0.659	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.5	0.1	175.8	-62	103.3	0	0	0	113.3	F20 N21 G22	F20-W24 AromaticContact CD1-CD1 3.84Å; F20-W24 AromaticContact CD1-NE1 3.49Å; F20-W24 AromaticContact CE1-CD1 3.85Å; F20-W24 AromaticContact CE1-NE1 3.08Å; F20-W24 HydrophobicContact CZ-CZ2 4.24Å; F20-W24 AromaticContact CZ-NE1 3.42Å; F20-W24 PolarHBondContact O-N 3.06Å; N21-W24 PolarHBondContact O-N 2.95Å; G22-W24 VanDerWaalsContact C-N 3.28Å; G22-W24 PolarHBondContact O-N 2.98Å
25	D	88.7	Confident	82.2	Confident	120 Å²	120	131.4 Å²	131.4	64%	0.642	63%	0.627	S	S	*	*			trans	-74.1	130.7	176.8	-71.7	-22.9	0	0	0	110.3	N21 G22	N21-D25 PolarHBondContact O-N 3.18Å; G22-D25 WeakPolarHBondContact CA-OD2 3.28Å; G22-D25 WeakPolarHBondContact O-CB 3.4Å; G22-D25 PolarHBondContact O-N 3.16Å
26	Y	87.2	Confident	82.8	Confident	202 Å²	202	126.6 Å²	126.6	79%	0.792	61%	0.607	S	S	*	*			trans	-105	103.5	176.7	174.4	-113.1	0	0	0	109.5	T28	Y26-T28 HydrophobicContact CD1-CG2 3.69Å; Y26-T28 HydrophobicContact CE1-CG2 3.08Å; Y26-T28 HydrophobicContact CE2-CG2 4.49Å
27	E	86.6	Confident	83.4	Confident	181 Å²	181	132.5 Å²	132.5	85%	0.846	62%	0.623	S	S	*	*			trans	-76.7	133.4	178.2	-65.1	-175.3	176.8	0	0	111.4
28	T	87.9	Confident	84	Confident	91 Å²	91	130.6 Å²	130.6	56%	0.558	62%	0.622	S	S	*	*			trans	-131	140.2	172	53.8	0	0	0	0	110.4	Y26	Y26-T28 HydrophobicContact CD1-CG2 3.69Å; Y26-T28 HydrophobicContact CE1-CG2 3.08Å; Y26-T28 HydrophobicContact CE2-CG2 4.49Å
29	P	87.3	Confident	84.4	Confident	104 Å²	104	124.3 Å²	124.3	68%	0.675	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-68	140.6	176.8	28.4	-34	0	0	0	110.3	M31	P29-M31 HydrophobicContact CG-SD 4.35Å; P29-M31 PolarHBondContact O-N 3.24Å
30	K	86	Confident	85	Confident	207 Å²	207	118.2 Å²	118.2	90%	0.9	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-69.3	116	170.2	-172.5	-179	178	-171.9	0	108.8
31	M	84.1	Confident	85.6	Confident	157 Å²	157	116.9 Å²	116.9	77%	0.773	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-96.5	134	-177.3	-63.7	-68.6	-82.9	0	0	111.5	P29	P29-M31 HydrophobicContact CG-SD 4.35Å; P29-M31 PolarHBondContact O-N 3.24Å
32	M	84.1	Confident	86.2	Confident	75 Å²	75	115.6 Å²	115.6	37%	0.369	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-92.2	131	170.7	-179.5	179.3	55.3	0	0	110.5	I34 R378 K379	M32-I34 HydrophobicContact CE-CD1 3.66Å; M32-I34 HydrophobicContact CE-CG1 3.93Å; M32-I34 HydrophobicContact CG-CG1 4.29Å; M32-I34 HydrophobicContact SD-CG1 4.25Å; M32-R378 HydrophobicContact SD-CB 3.73Å; M32-K379 HydrophobicContact CE-CB 3.93Å; M32-K379 HydrophobicContact CE-CG 4.4Å
33	V	85.1	Confident	86.8	Confident	122 Å²	122	117.8 Å²	117.8	74%	0.739	57%	0.571	S	S	*	*			trans	-106.7	112.6	176.2	-178.1	0	0	0	0	110.3
34	I	84.7	Confident	87.4	Confident	50 Å²	50	118.8 Å²	118.8	26%	0.256	57%	0.571	S	S	.	*			trans	-94.5	120.1	179.8	-63.7	154	0	0	0	110.4	M32 N36 L39 M365 Y375	M32-I34 HydrophobicContact CE-CD1 3.66Å; M32-I34 HydrophobicContact CE-CG1 3.93Å; M32-I34 HydrophobicContact CG-CG1 4.29Å; M32-I34 HydrophobicContact SD-CG1 4.25Å; I34-N36 HydrophobicContact CG2-CB 3.76Å; I34-N36 PolarHBondContact O-N 2.91Å; I34-L39 HydrophobicContact CD1-CD2 4.39Å; I34-L39 HydrophobicContact CG2-CD2 4.12Å; I34-M365 HydrophobicContact CD1-CE 4.41Å; I34-M365 HydrophobicContact CD1-SD 3.14Å; I34-M365 WeakPolarHBondContact CD1-SD 3.35Å; I34-M365 HydrophobicContact CG1-SD 4.47Å; I34-Y375 HydrophobicContact CB-CE1 4.45Å; I34-Y375 HydrophobicContact CD1-CD1 4.27Å; I34-Y375 HydrophobicContact CG1-CD1 4.05Å; I34-Y375 HydrophobicContact CG1-CE1 4.17Å; I34-Y375 HydrophobicContact CG2-CD1 4.17Å; I34-Y375 HydrophobicContact CG2-CE1 3.5Å; I34-Y375 VanDerWaalsContact CG2-CE1 3.5Å
35	K	84.4	Confident	87.6	Confident	206 Å²	206	113.1 Å²	113.1	90%	0.896	56%	0.561	S	S	*	*			trans	-92.6	65.6	177.4	-65.3	-176.1	-179.7	178	0	111.3
36	N	86.1	Confident	87.8	Confident	37 Å²	37	109 Å²	109	20%	0.198	54%	0.54	C	S	.	.			trans	-120.3	118.8	177.6	-169	-12.8	0	0	0	110.6	I34 P38 L39 G40 Y375	I34-N36 HydrophobicContact CG2-CB 3.76Å; I34-N36 PolarHBondContact O-N 2.91Å; N36-P38 WeakPolarHBondContact OD1-CD 3.48Å; N36-P38 WeakPolarHBondContact OD1-CG 3.35Å; N36-L39 HydrophobicContact CB-CB 4.16Å; N36-G40 PolarHBondContact O-N 3.5Å; N36-Y375 PolarHBondContact ND2-OH 2.91Å
37	R	87.4	Confident	88	Confident	226 Å²	226	100.3 Å²	100.3	85%	0.853	51%	0.507	S	S	*	.	H	α-helix	trans	-63.1	-52.4	-174.2	-79.2	-162	177.1	152.6	0.9	114.3	L39 G40 V41	R37-L39 PolarHBondContact O-N 2.93Å; R37-G40 PolarHBondContact O-N 2.79Å; R37-V41 WeakPolarHBondContact O-CG2 3.22Å; R37-V41 PolarHBondContact O-N 2.86Å
38	P	87.2	Confident	88.4	Confident	81 Å²	81	98.7 Å²	98.7	53%	0.526	50%	0.498	S	S	.	.	H	α-helix	trans	-57.4	-44.3	177.1	18.7	-34	0	0	0	112.9	N36 G40 V41 I42	N36-P38 WeakPolarHBondContact OD1-CD 3.48Å; N36-P38 WeakPolarHBondContact OD1-CG 3.35Å; P38-G40 VanDerWaalsContact C-N 3.34Å; P38-G40 PolarHBondContact O-N 3.4Å; P38-V41 PolarHBondContact O-N 2.87Å; P38-I42 WeakPolarHBondContact O-CG1 3.3Å; P38-I42 PolarHBondContact O-N 3.5Å
39	L	86.8	Confident	88.7	Confident	13 Å²	13	100 Å²	100	7%	0.068	50%	0.501	C	S	.	.	H	α-helix	trans	-63.6	-40.5	176.5	-177.3	59.5	0	0	0	111.8	I34 N36 R37 V41 I42 Y43 C361 M365 I369	I34-L39 HydrophobicContact CD1-CD2 4.39Å; I34-L39 HydrophobicContact CG2-CD2 4.12Å; N36-L39 HydrophobicContact CB-CB 4.16Å; R37-L39 PolarHBondContact O-N 2.93Å; L39-V41 PolarHBondContact O-N 3.5Å; L39-I42 PolarHBondContact O-N 3.33Å; L39-Y43 WeakPolarHBondContact O-CB 3.31Å; L39-Y43 PolarHBondContact O-N 3.34Å; L39-C361 HydrophobicContact CD1-CB 4.37Å; L39-M365 HydrophobicContact CD1-CB 4.26Å; L39-M365 HydrophobicContact CD2-CB 4.02Å; L39-M365 HydrophobicContact CD2-CG 3.93Å; L39-M365 HydrophobicContact CD2-SD 4.22Å; L39-I369 HydrophobicContact CB-CD1 3.94Å; L39-I369 HydrophobicContact CD1-CD1 3.92Å; L39-I369 HydrophobicContact CG-CD1 4.35Å
40	G	89.2	Confident	89	Confident	34 Å²	34	96.4 Å²	96.4	35%	0.351	48%	0.477	S	S	.	.	H	α-helix	trans	-62.9	-39	174.8	0	0	0	0	0	113.4	N36 R37 P38 Y43 R44	N36-G40 PolarHBondContact O-N 3.5Å; R37-G40 PolarHBondContact O-N 2.79Å; P38-G40 VanDerWaalsContact C-N 3.34Å; P38-G40 PolarHBondContact O-N 3.4Å; G40-Y43 PolarHBondContact O-N 3.17Å; G40-R44 WeakPolarHBondContact O-CB 3.41Å; G40-R44 WeakPolarHBondContact O-CG 3.36Å; G40-R44 PolarHBondContact O-N 3.26Å
41	V	91.8	Very high	89.3	Confident	101 Å²	101	90.2 Å²	90.2	61%	0.612	45%	0.453	S	S	*	.	H	α-helix	trans	-64.1	-46	174.1	172	0	0	0	0	110.6	R37 P38 L39 R44 A45	R37-V41 WeakPolarHBondContact O-CG2 3.22Å; R37-V41 PolarHBondContact O-N 2.86Å; P38-V41 PolarHBondContact O-N 2.87Å; L39-V41 PolarHBondContact O-N 3.5Å; V41-R44 PolarHBondContact O-N 2.95Å; V41-A45 VanDerWaalsContact O-CB 3.26Å; V41-A45 WeakPolarHBondContact O-CB 3.48Å; V41-A45 PolarHBondContact O-N 3.42Å
42	I	90.1	Very high	89.8	Confident	60 Å²	60	85.6 Å²	85.6	31%	0.308	43%	0.433	S	S	.	.	H	α-helix	trans	-59.6	-48.7	176.6	-67.2	167	0	0	0	110.4	P38 L39 R44 A45 V46 I364	P38-I42 WeakPolarHBondContact O-CG1 3.3Å; P38-I42 PolarHBondContact O-N 3.5Å; L39-I42 PolarHBondContact O-N 3.33Å; I42-R44 PolarHBondContact O-N 2.98Å; I42-A45 PolarHBondContact O-N 3Å; I42-V46 HydrophobicContact CG2-CG2 4.44Å; I42-V46 WeakPolarHBondContact O-CG2 3.44Å; I42-V46 PolarHBondContact O-N 2.95Å; I42-I364 HydrophobicContact CD1-CG2 4.42Å; I42-I364 HydrophobicContact CG2-CD1 3.86Å
43	Y	90.4	Very high	90.4	Very high	84 Å²	84	87.5 Å²	87.5	33%	0.329	44%	0.437	S	S	.	.	H	α-helix	trans	-58.1	-47.2	178.6	179.5	-104.5	0	0	0	112.5	L39 G40 Q47 C357 C361	L39-Y43 WeakPolarHBondContact O-CB 3.31Å; L39-Y43 PolarHBondContact O-N 3.34Å; G40-Y43 PolarHBondContact O-N 3.17Å; Y43-Q47 VanDerWaalsContact CE1-CD 3.44Å; Y43-Q47 HydrophobicContact CE1-CG 4.38Å; Y43-Q47 WeakPolarHBondContact O-CB 3.49Å; Y43-Q47 VanDerWaalsContact O-CG 3.31Å; Y43-Q47 WeakPolarHBondContact O-CG 3.26Å; Y43-Q47 PolarHBondContact O-N 3.4Å; Y43-Q47 PolarHBondContact OH-NE2 2.72Å; Y43-C357 HydrophobicContact CD2-CB 4.5Å; Y43-C357 HydrophobicContact CE2-CB 4.23Å; Y43-C361 WeakPolarHBondContact CA-SG 3.16Å; Y43-C361 HydrophobicContact CD2-CB 3.99Å
44	R	93.3	Very high	90.9	Very high	169 Å²	169	82.9 Å²	82.9	64%	0.638	41%	0.407	S	S	*	.	H	α-helix	trans	-67.8	-34.9	177.1	-68.8	-57.8	-169.1	179.9	5	113	G40 V41 I42 F48	G40-R44 WeakPolarHBondContact O-CB 3.41Å; G40-R44 WeakPolarHBondContact O-CG 3.36Å; G40-R44 PolarHBondContact O-N 3.26Å; V41-R44 PolarHBondContact O-N 2.95Å; I42-R44 PolarHBondContact O-N 2.98Å; R44-F48 VanDerWaalsContact O-CB 3.3Å; R44-F48 WeakPolarHBondContact O-CB 3.26Å; R44-F48 PolarHBondContact O-N 3.45Å
45	A	92.3	Very high	91.4	Very high	55 Å²	55	85 Å²	85	46%	0.455	42%	0.418	S	S	.	.	H	α-helix	trans	-66.3	-44.8	176.8	0	0	0	0	0	111.9	V41 I42 F48 L49	V41-A45 VanDerWaalsContact O-CB 3.26Å; V41-A45 WeakPolarHBondContact O-CB 3.48Å; V41-A45 PolarHBondContact O-N 3.42Å; I42-A45 PolarHBondContact O-N 3Å; A45-F48 PolarHBondContact O-N 3.36Å; A45-L49 PolarHBondContact O-N 2.98Å
46	V	91.6	Very high	91.9	Very high	34 Å²	34	83.7 Å²	83.7	21%	0.206	41%	0.408	C	S	.	.	H	α-helix	trans	-64.3	-44.4	176	178.7	0	0	0	0	110.5	I42 F48 L49 V50 C357 I360	I42-V46 HydrophobicContact CG2-CG2 4.44Å; I42-V46 WeakPolarHBondContact O-CG2 3.44Å; I42-V46 PolarHBondContact O-N 2.95Å; V46-F48 VanDerWaalsContact C-N 3.33Å; V46-F48 PolarHBondContact O-N 2.91Å; V46-L49 PolarHBondContact O-N 3.32Å; V46-V50 WeakPolarHBondContact O-CG2 3.32Å; V46-V50 PolarHBondContact O-N 3.36Å; V46-C357 HydrophobicContact CG1-CB 4.13Å; V46-I360 HydrophobicContact CG1-CD1 4.43Å
47	Q	92.8	Very high	92.4	Very high	20 Å²	20	86.9 Å²	86.9	9%	0.093	42%	0.417	C	S	.	.	H	α-helix	trans	-56.6	-46.7	173.8	-76.9	-173	-29.3	0	0	112.2	Y43 L49 V50 I51 V354 C357	Y43-Q47 VanDerWaalsContact CE1-CD 3.44Å; Y43-Q47 HydrophobicContact CE1-CG 4.38Å; Y43-Q47 WeakPolarHBondContact O-CB 3.49Å; Y43-Q47 VanDerWaalsContact O-CG 3.31Å; Y43-Q47 WeakPolarHBondContact O-CG 3.26Å; Y43-Q47 PolarHBondContact O-N 3.4Å; Y43-Q47 PolarHBondContact OH-NE2 2.72Å; Q47-L49 VanDerWaalsContact C-N 3.32Å; Q47-L49 PolarHBondContact O-N 2.97Å; Q47-V50 PolarHBondContact O-N 3.14Å; Q47-I51 WeakPolarHBondContact O-CB 3.45Å; Q47-I51 VanDerWaalsContact O-CG1 3.26Å; Q47-I51 WeakPolarHBondContact O-CG1 3.44Å; Q47-I51 PolarHBondContact O-N 2.81Å; Q47-V354 HydrophobicContact CG-CG1 4.24Å; Q47-C357 HydrophobicContact CG-CB 3.94Å
48	F	93.9	Very high	92.8	Very high	147 Å²	147	77.3 Å²	77.3	65%	0.645	38%	0.384	S	S	*	.	H	α-helix	trans	-61.1	-41.5	178.6	178.3	-98.8	0	0	0	111.9	R44 A45 V46 T52	R44-F48 VanDerWaalsContact O-CB 3.3Å; R44-F48 WeakPolarHBondContact O-CB 3.26Å; R44-F48 PolarHBondContact O-N 3.45Å; A45-F48 PolarHBondContact O-N 3.36Å; V46-F48 VanDerWaalsContact C-N 3.33Å; V46-F48 PolarHBondContact O-N 2.91Å; F48-T52 VanDerWaalsContact O-CB 3.26Å; F48-T52 WeakPolarHBondContact O-CB 3.35Å; F48-T52 PolarHBondContact O-N 3.01Å; F48-T52 PolarHBondContact O-OG1 2.72Å
49	L	93.6	Very high	93.1	Very high	119 Å²	119	75.4 Å²	75.4	62%	0.623	37%	0.368	S	S	*	.	H	α-helix	trans	-61.6	-49.5	176.4	-167.9	166.9	0	0	0	111	A45 V46 Q47 I51 T52 Y53	A45-L49 PolarHBondContact O-N 2.98Å; V46-L49 PolarHBondContact O-N 3.32Å; Q47-L49 VanDerWaalsContact C-N 3.32Å; Q47-L49 PolarHBondContact O-N 2.97Å; L49-I51 PolarHBondContact O-N 3.2Å; L49-T52 PolarHBondContact O-N 2.9Å; L49-Y53 WeakPolarHBondContact O-CB 3.44Å; L49-Y53 PolarHBondContact O-N 3.03Å
50	V	93.8	Very high	93.4	Very high	28 Å²	28	79.3 Å²	79.3	17%	0.17	39%	0.387	C	S	.	.	H	α-helix	trans	-60.3	-48.4	178.7	174	0	0	0	0	110.9	V46 Q47 T52 Y53 F54 V354	V46-V50 WeakPolarHBondContact O-CG2 3.32Å; V46-V50 PolarHBondContact O-N 3.36Å; Q47-V50 PolarHBondContact O-N 3.14Å; V50-T52 VanDerWaalsContact C-N 3.33Å; V50-T52 PolarHBondContact O-N 2.81Å; V50-Y53 WeakPolarHBondContact O-CB 3.25Å; V50-Y53 PolarHBondContact O-N 2.89Å; V50-F54 HydrophobicContact CG1-CD2 3.9Å; V50-F54 HydrophobicContact CG1-CE2 3.9Å; V50-F54 WeakPolarHBondContact O-CD2 3.14Å; V50-F54 PolarHBondContact O-N 3.5Å; V50-V354 HydrophobicContact CG1-CG2 4.5Å
51	I	93.3	Very high	93.6	Very high	77 Å²	77	81.1 Å²	81.1	40%	0.395	40%	0.395	S	S	.	.	H	α-helix	trans	-60.4	-44.9	178.3	-69.4	168	0	0	0	110.7	Q47 L49 Y53 F54 I55 V354	Q47-I51 WeakPolarHBondContact O-CB 3.45Å; Q47-I51 VanDerWaalsContact O-CG1 3.26Å; Q47-I51 WeakPolarHBondContact O-CG1 3.44Å; Q47-I51 PolarHBondContact O-N 2.81Å; L49-I51 PolarHBondContact O-N 3.2Å; I51-Y53 VanDerWaalsContact C-N 3.33Å; I51-Y53 PolarHBondContact O-N 3.3Å; I51-F54 PolarHBondContact O-N 3.1Å; I51-I55 HydrophobicContact CG2-CD1 3.59Å; I51-I55 HydrophobicContact CG2-CG1 4.28Å; I51-I55 WeakPolarHBondContact O-CG1 3.32Å; I51-I55 PolarHBondContact O-N 3.28Å; I51-V354 HydrophobicContact CG1-CG2 4.36Å
52	T	95.2	Very high	93.7	Very high	60 Å²	60	81.7 Å²	81.7	37%	0.368	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-41.6	178.4	-59	0	0	0	0	111.3	F48 L49 V50 I55 W56	F48-T52 VanDerWaalsContact O-CB 3.26Å; F48-T52 WeakPolarHBondContact O-CB 3.35Å; F48-T52 PolarHBondContact O-N 3.01Å; F48-T52 PolarHBondContact O-OG1 2.72Å; L49-T52 PolarHBondContact O-N 2.9Å; V50-T52 VanDerWaalsContact C-N 3.33Å; V50-T52 PolarHBondContact O-N 2.81Å; T52-I55 PolarHBondContact O-N 3.26Å; T52-W56 VanDerWaalsContact O-CB 3.22Å; T52-W56 WeakPolarHBondContact O-CB 3.42Å; T52-W56 PolarHBondContact O-N 3.29Å
53	Y	95.1	Very high	93.9	Very high	115 Å²	115	82.2 Å²	82.2	45%	0.451	39%	0.391	S	S	.	.	H	α-helix	trans	-59	-49.1	174.3	168.3	-96.3	0	0	0	111.6	L49 V50 I51 Y57 V58	L49-Y53 WeakPolarHBondContact O-CB 3.44Å; L49-Y53 PolarHBondContact O-N 3.03Å; V50-Y53 WeakPolarHBondContact O-CB 3.25Å; V50-Y53 PolarHBondContact O-N 2.89Å; I51-Y53 VanDerWaalsContact C-N 3.33Å; I51-Y53 PolarHBondContact O-N 3.3Å; Y53-Y57 HydrophobicContact CD2-CD1 4.31Å; Y53-Y57 HydrophobicContact CD2-CG 4.35Å; Y53-Y57 AromaticContact CE2-CD1 3.44Å; Y53-Y57 HydrophobicContact CE2-CD1 3.44Å; Y53-Y57 VanDerWaalsContact CE2-CD1 3.44Å; Y53-Y57 HydrophobicContact CE2-CE1 4.15Å; Y53-Y57 AromaticContact CE2-CG 3.85Å; Y53-Y57 HydrophobicContact CE2-CG 3.85Å; Y53-Y57 AromaticContact CZ-CD1 3.58Å; Y53-Y57 WeakPolarHBondContact O-CA 3.4Å; Y53-Y57 VanDerWaalsContact O-CB 3.22Å; Y53-Y57 WeakPolarHBondContact O-CB 3.48Å; Y53-Y57 PolarHBondContact O-N 3.41Å; Y53-Y57 WeakPolarHBondContact OH-CD1 3.22Å; Y53-V58 HydrophobicContact CD1-CG2 4.4Å; Y53-V58 HydrophobicContact CE1-CG2 3.83Å; Y53-V58 PolarHBondContact O-N 2.94Å
54	F	95.7	Very high	94.1	Very high	24 Å²	24	79.5 Å²	79.5	11%	0.105	39%	0.386	C	S	.	.	I	π-helix	trans	-62.9	-47	179	-85.4	-80.7	0	0	0	112	V50 I51 V58 F59 T349 A350 S353	V50-F54 HydrophobicContact CG1-CD2 3.9Å; V50-F54 HydrophobicContact CG1-CE2 3.9Å; V50-F54 WeakPolarHBondContact O-CD2 3.14Å; V50-F54 PolarHBondContact O-N 3.5Å; I51-F54 PolarHBondContact O-N 3.1Å; F54-V58 HydrophobicContact CD1-CB 4.08Å; F54-V58 HydrophobicContact CD1-CG1 4.31Å; F54-V58 HydrophobicContact CD1-CG2 3.81Å; F54-V58 HydrophobicContact CE1-CG2 4.2Å; F54-V58 HydrophobicContact CG-CG2 4.47Å; F54-V58 WeakPolarHBondContact O-CA 3.48Å; F54-V58 VanDerWaalsContact O-CB 3.31Å; F54-V58 WeakPolarHBondContact O-CB 3.21Å; F54-V58 PolarHBondContact O-N 3.2Å; F54-F59 WeakPolarHBondContact O-CD2 3.46Å; F54-F59 PolarHBondContact O-N 3.45Å; F54-T349 HydrophobicContact CE1-CG2 4.33Å; F54-A350 HydrophobicContact CB-CB 4.07Å; F54-A350 HydrophobicContact CD1-CB 3.53Å; F54-A350 HydrophobicContact CD2-CB 4.17Å; F54-A350 HydrophobicContact CE1-CB 3.99Å; F54-A350 HydrophobicContact CG-CB 3.65Å; F54-A350 HydrophobicContact CZ-CB 4.5Å; F54-S353 VanDerWaalsContact CE2-CB 3.44Å; F54-S353 VanDerWaalsContact CZ-OG 3.32Å; F54-S353 WeakPolarHBondContact CZ-OG 3.31Å
55	I	94.9	Very high	94.2	Very high	95 Å²	95	74.3 Å²	74.3	49%	0.487	37%	0.367	S	S	.	.	I	π-helix	trans	-63.6	-51.7	-179.4	-65.9	173.1	0	0	0	110.7	I51 T52 F59 I60	I51-I55 HydrophobicContact CG2-CD1 3.59Å; I51-I55 HydrophobicContact CG2-CG1 4.28Å; I51-I55 WeakPolarHBondContact O-CG1 3.32Å; I51-I55 PolarHBondContact O-N 3.28Å; T52-I55 PolarHBondContact O-N 3.26Å; I55-F59 WeakPolarHBondContact O-CB 3.16Å; I55-I60 HydrophobicContact CG2-CD1 4.25Å; I55-I60 WeakPolarHBondContact O-CG1 3.43Å; I55-I60 PolarHBondContact O-N 3.22Å
56	W	95.8	Very high	94.3	Very high	179 Å²	179	72.7 Å²	72.7	68%	0.678	35%	0.349	S	S	*	.	I	π-helix	trans	-77.9	-50.5	-172.6	-171.3	-95.8	0	0	0	113	T52 I60 S61	T52-W56 VanDerWaalsContact O-CB 3.22Å; T52-W56 WeakPolarHBondContact O-CB 3.42Å; T52-W56 PolarHBondContact O-N 3.29Å; W56-I60 HydrophobicContact CE3-CD1 4.02Å; W56-I60 HydrophobicContact CZ3-CD1 4.45Å; W56-I60 WeakPolarHBondContact O-CB 3.43Å; W56-S61 PolarHBondContact O-N 2.88Å
57	Y	95.8	Very high	94.5	Very high	103 Å²	103	74.7 Å²	74.7	40%	0.404	36%	0.357	S	S	.	.	I	π-helix	trans	-82.7	-53.7	-174.9	-177.6	-103.4	0	0	0	111.5	Y53 S61 Q62	Y53-Y57 HydrophobicContact CD2-CD1 4.31Å; Y53-Y57 HydrophobicContact CD2-CG 4.35Å; Y53-Y57 AromaticContact CE2-CD1 3.44Å; Y53-Y57 HydrophobicContact CE2-CD1 3.44Å; Y53-Y57 VanDerWaalsContact CE2-CD1 3.44Å; Y53-Y57 HydrophobicContact CE2-CE1 4.15Å; Y53-Y57 AromaticContact CE2-CG 3.85Å; Y53-Y57 HydrophobicContact CE2-CG 3.85Å; Y53-Y57 AromaticContact CZ-CD1 3.58Å; Y53-Y57 WeakPolarHBondContact O-CA 3.4Å; Y53-Y57 VanDerWaalsContact O-CB 3.22Å; Y53-Y57 WeakPolarHBondContact O-CB 3.48Å; Y53-Y57 PolarHBondContact O-N 3.41Å; Y53-Y57 WeakPolarHBondContact OH-CD1 3.22Å; Y57-S61 VanDerWaalsContact O-CB 3.31Å; Y57-S61 WeakPolarHBondContact O-CB 3.24Å; Y57-S61 PolarHBondContact O-N 3.34Å; Y57-Q62 HydrophobicContact CD1-CG 4.37Å; Y57-Q62 HydrophobicContact CE1-CG 4.01Å; Y57-Q62 HydrophobicContact CE2-CG 4.42Å; Y57-Q62 WeakPolarHBondContact O-CG 3.4Å; Y57-Q62 PolarHBondContact O-N 2.99Å; Y57-Q62 PolarHBondContact OH-NE2 2.91Å
58	V	95.8	Very high	94.5	Very high	25 Å²	25	76.7 Å²	76.7	15%	0.152	37%	0.373	C	S	.	.	I	π-helix	trans	-74.9	-49.4	-172.7	-178.3	0	0	0	0	111.7	Y53 F54 Q62 K63 A64	Y53-V58 HydrophobicContact CD1-CG2 4.4Å; Y53-V58 HydrophobicContact CE1-CG2 3.83Å; Y53-V58 PolarHBondContact O-N 2.94Å; F54-V58 HydrophobicContact CD1-CB 4.08Å; F54-V58 HydrophobicContact CD1-CG1 4.31Å; F54-V58 HydrophobicContact CD1-CG2 3.81Å; F54-V58 HydrophobicContact CE1-CG2 4.2Å; F54-V58 HydrophobicContact CG-CG2 4.47Å; F54-V58 WeakPolarHBondContact O-CA 3.48Å; F54-V58 VanDerWaalsContact O-CB 3.31Å; F54-V58 WeakPolarHBondContact O-CB 3.21Å; F54-V58 PolarHBondContact O-N 3.2Å; V58-Q62 WeakPolarHBondContact O-CB 3.31Å; V58-K63 PolarHBondContact O-N 3.02Å; V58-A64 HydrophobicContact CG1-CB 3.67Å; V58-A64 VanDerWaalsContact O-CB 3.31Å; V58-A64 WeakPolarHBondContact O-CB 3.49Å; V58-A64 PolarHBondContact O-N 3.24Å; V58-A64 VanDerWaalsContact O-N 3.12Å
59	F	94.5	Very high	94.6	Very high	42 Å²	42	71 Å²	71	18%	0.184	35%	0.349	C	S	.	.	I	π-helix	trans	-80.6	-48.6	-177.9	-78.9	-77.5	0	0	0	112.8	F54 I55 K63 Y65	F54-F59 WeakPolarHBondContact O-CD2 3.46Å; F54-F59 PolarHBondContact O-N 3.45Å; I55-F59 WeakPolarHBondContact O-CB 3.16Å; F59-K63 VanDerWaalsContact O-CA 3.26Å; F59-K63 WeakPolarHBondContact O-CA 3.31Å; F59-K63 PolarHBondContact O-N 3.18Å; F59-Y65 HydrophobicContact CD1-CD1 4.27Å; F59-Y65 VanDerWaalsContact O-CD1 3.3Å; F59-Y65 WeakPolarHBondContact O-CD1 3.44Å; F59-Y65 WeakPolarHBondContact O-CE1 3.22Å
60	I	93	Very high	94.5	Very high	94 Å²	94	68.9 Å²	68.9	48%	0.482	34%	0.34	S	S	.	.	I	π-helix	trans	-82.6	-54.3	-175.5	-64.6	167.4	0	0	0	111.9	I55 W56	I55-I60 HydrophobicContact CG2-CD1 4.25Å; I55-I60 WeakPolarHBondContact O-CG1 3.43Å; I55-I60 PolarHBondContact O-N 3.22Å; W56-I60 HydrophobicContact CE3-CD1 4.02Å; W56-I60 HydrophobicContact CZ3-CD1 4.45Å; W56-I60 WeakPolarHBondContact O-CB 3.43Å
61	S	93	Very high	94.4	Very high	73 Å²	73	75.1 Å²	75.1	51%	0.51	37%	0.367	S	S	.	.	I	π-helix	trans	-74.2	-46.7	-173.9	-168.8	0	0	0	0	113.1	W56 Y57	W56-S61 PolarHBondContact O-N 2.88Å; Y57-S61 VanDerWaalsContact O-CB 3.31Å; Y57-S61 WeakPolarHBondContact O-CB 3.24Å; Y57-S61 PolarHBondContact O-N 3.34Å
62	Q	93.8	Very high	94.4	Very high	112 Å²	112	72.7 Å²	72.7	52%	0.523	36%	0.356	S	S	.	.	S	Bend	trans	-88.1	-8.8	-178.4	-65.1	-65.5	-21.1	0	0	113	Y57 V58 A64	Y57-Q62 HydrophobicContact CD1-CG 4.37Å; Y57-Q62 HydrophobicContact CE1-CG 4.01Å; Y57-Q62 HydrophobicContact CE2-CG 4.42Å; Y57-Q62 WeakPolarHBondContact O-CG 3.4Å; Y57-Q62 PolarHBondContact O-N 2.99Å; Y57-Q62 PolarHBondContact OH-NE2 2.91Å; V58-Q62 WeakPolarHBondContact O-CB 3.31Å; Q62-A64 PolarHBondContact O-N 3.08Å
63	K	94.8	Very high	94.4	Very high	72 Å²	72	75.4 Å²	75.4	31%	0.313	37%	0.365	S	S	.	.			trans	50.8	41.3	-179.9	-57.4	178.3	-172	165.3	0	112.8	V58 F59 Y65 Q66	V58-K63 PolarHBondContact O-N 3.02Å; F59-K63 VanDerWaalsContact O-CA 3.26Å; F59-K63 WeakPolarHBondContact O-CA 3.31Å; F59-K63 PolarHBondContact O-N 3.18Å; K63-Y65 HydrophobicContact CB-CE1 4.12Å; K63-Y65 HydrophobicContact CG-CE1 4.35Å; K63-Y65 PolarHBondContact O-N 3.23Å; K63-Q66 HydrophobicContact CB-CG 4.19Å; K63-Q66 WeakPolarHBondContact O-CB 3.49Å; K63-Q66 PolarHBondContact O-N 3.24Å
64	A	94.2	Very high	94.3	Very high	26 Å²	26	72.8 Å²	72.8	22%	0.215	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-12.6	-175.8	0	0	0	0	0	114.4	V58 Q62 Q66 P342 S346	V58-A64 HydrophobicContact CG1-CB 3.67Å; V58-A64 VanDerWaalsContact O-CB 3.31Å; V58-A64 WeakPolarHBondContact O-CB 3.49Å; V58-A64 PolarHBondContact O-N 3.24Å; V58-A64 VanDerWaalsContact O-N 3.12Å; Q62-A64 PolarHBondContact O-N 3.08Å; A64-Q66 VanDerWaalsContact C-N 3.25Å; A64-P342 WeakPolarHBondContact O-CB 3.46Å; A64-S346 WeakPolarHBondContact CB-OG 3.36Å; A64-S346 PolarHBondContact O-OG 2.78Å
65	Y	94.5	Very high	94.3	Very high	61 Å²	61	75.4 Å²	75.4	24%	0.239	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-13.8	171.1	65.4	-94.4	0	0	0	113.4	F59 K63 F338 S339 T343	F59-Y65 HydrophobicContact CD1-CD1 4.27Å; F59-Y65 VanDerWaalsContact O-CD1 3.3Å; F59-Y65 WeakPolarHBondContact O-CD1 3.44Å; F59-Y65 WeakPolarHBondContact O-CE1 3.22Å; K63-Y65 HydrophobicContact CB-CE1 4.12Å; K63-Y65 HydrophobicContact CG-CE1 4.35Å; K63-Y65 PolarHBondContact O-N 3.23Å; Y65-F338 AromaticContact CD2-CD2 3.88Å; Y65-F338 HydrophobicContact CD2-CD2 3.88Å; Y65-S339 PolarHBondContact O-N 3Å; Y65-T343 WeakPolarHBondContact CA-OG1 3.3Å; Y65-T343 WeakPolarHBondContact CB-OG1 3.4Å; Y65-T343 PolarHBondContact O-OG1 2.83Å; Y65-T343 VanDerWaalsContact O-OG1 3.1Å
66	Q	95.6	Very high	94.3	Very high	20 Å²	20	71.9 Å²	71.9	9%	0.093	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	142.1	178.8	-60.3	-172.3	-27.1	0	0	110.6	K63 A64 N273 D275 K337	K63-Q66 HydrophobicContact CB-CG 4.19Å; K63-Q66 WeakPolarHBondContact O-CB 3.49Å; K63-Q66 PolarHBondContact O-N 3.24Å; A64-Q66 VanDerWaalsContact C-N 3.25Å; Q66-N273 PolarHBondContact NE2-OD1 3.36Å; Q66-D275 PolarHBondContact NE2-OD2 3.44Å; Q66-K337 CarbonylContact C-O 3.6Å; Q66-K337 VanDerWaalsContact CA-O 3.32Å; Q66-K337 WeakPolarHBondContact CA-O 3.44Å
67	Q	95.1	Very high	94.2	Very high	76 Å²	76	68.3 Å²	68.3	36%	0.355	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	130	158.9	-168.4	170.1	29.6	0	0	107.9	F206 G336 K337 P342	Q67-F206 HydrophobicContact CB-CE1 4.49Å; Q67-F206 HydrophobicContact CB-CZ 4.5Å; Q67-F206 WeakPolarHBondContact O-CZ 3.49Å; Q67-G336 WeakPolarHBondContact O-CA 3.33Å; Q67-K337 PolarHBondContact N-O 3.23Å; Q67-K337 PolarHBondContact O-N 2.83Å; Q67-P342 HydrophobicContact CB-CG 4.42Å
68	S	93.9	Very high	94.2	Very high	63 Å²	63	63.4 Å²	63.4	44%	0.441	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	157	178.5	56.9	0	0	0	0	112.7	K205 A335	S68-K205 PolarHBondContact O-NZ 2.86Å; S68-A335 CarbonylContact C-O 3.53Å; S68-A335 VanDerWaalsContact CA-O 3.23Å; S68-A335 WeakPolarHBondContact CA-O 3.43Å
69	E	94.6	Very high	94.2	Very high	28 Å²	28	64.2 Å²	64.2	13%	0.131	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	120.6	169.3	-176.2	172.3	-144.9	0	0	108.1	F203 P204 K205 F206 Q334 A335	E69-F203 HydrophobicContact CB-CD1 4.41Å; E69-F203 HydrophobicContact CG-CD1 4.24Å; E69-F203 WeakPolarHBondContact OE2-CA 3.31Å; E69-F203 VanDerWaalsContact OE2-CB 3.23Å; E69-F203 WeakPolarHBondContact OE2-CB 3.25Å; E69-P204 WeakPolarHBondContact OE1-CD 3.43Å; E69-K205 HydrophobicContact CB-CD 4.26Å; E69-K205 VanDerWaalsContact CD-CB 3.4Å; E69-K205 HydrophobicContact CG-CB 4.39Å; E69-K205 VanDerWaalsContact OE1-CB 3.25Å; E69-K205 WeakPolarHBondContact OE1-CB 3.35Å; E69-K205 PolarHBondContact OE1-N 3.47Å; E69-K205 VanDerWaalsContact OE1-N 3.15Å; E69-K205 VanDerWaalsContact OE2-CB 3.31Å; E69-K205 WeakPolarHBondContact OE2-CB 3.44Å; E69-K205 PolarHBondContact OE2-N 3.42Å; E69-F206 HydrophobicContact CB-CD2 4.22Å; E69-F206 HydrophobicContact CB-CE2 3.55Å; E69-F206 HydrophobicContact CB-CZ 4.28Å; E69-F206 WeakPolarHBondContact OE2-CD2 3Å; E69-Q334 WeakPolarHBondContact O-CA 3.49Å; E69-A335 PolarHBondContact N-O 2.9Å; E69-A335 PolarHBondContact O-N 2.96Å
70	T	92.8	Very high	94.2	Very high	73 Å²	73	62.3 Å²	62.3	45%	0.448	33%	0.331	S	S	.	.			trans	-105.6	-6.8	-174.3	52.3	0	0	0	0	113.8	P72 G333 Q334	T70-P72 WeakPolarHBondContact O-CD 3.41Å; T70-G333 CarbonylContact C-O 2.99Å; T70-Q334 HydrophobicContact CG2-CG 4.31Å
71	H	91.3	Very high	94.2	Very high	160 Å²	160	62.5 Å²	62.5	74%	0.741	33%	0.328	S	S	*	.			trans	-124.8	79.1	-176.4	-63.9	-67	0	0	0	110.2
72	P	93.2	Very high	94.1	Very high	25 Å²	25	60 Å²	60	16%	0.162	31%	0.313	C	S	.	.			trans	-71	153.1	171.9	28.6	-33.3	0	0	0	111.4	T70 H202 F203 G333	T70-P72 WeakPolarHBondContact O-CD 3.41Å; P72-H202 CarbonylContact C-O 3.55Å; P72-H202 VanDerWaalsContact CA-O 3.3Å; P72-H202 WeakPolarHBondContact CA-O 3.12Å; P72-H202 VanDerWaalsContact CB-O 3.29Å; P72-H202 WeakPolarHBondContact CB-O 3.3Å; P72-F203 HydrophobicContact CB-CD1 3.78Å; P72-F203 HydrophobicContact CB-CE1 3.62Å; P72-F203 HydrophobicContact CB-CG 4.45Å; P72-F203 HydrophobicContact CB-CZ 4.18Å; P72-F203 HydrophobicContact CG-CE1 3.94Å; P72-F203 HydrophobicContact CG-CZ 4.4Å; P72-G333 VanDerWaalsContact CD-O 3.24Å; P72-G333 WeakPolarHBondContact CD-O 3.43Å
73	E	94.6	Very high	94.1	Very high	117 Å²	117	61.6 Å²	61.6	55%	0.547	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127.2	163.1	-66.7	171.6	168.7	0	0	108.4	I201 H202 P204	E73-I201 CarbonylContact O-C 3.59Å; E73-I201 WeakPolarHBondContact O-CA 3.39Å; E73-H202 HydrophobicContact CB-CB 4.22Å; E73-H202 PolarHBondContact N-O 2.93Å; E73-H202 PolarHBondContact O-N 3.49Å; E73-H202 IonicContact OE2-CE1 3.06Å; E73-H202 IonicContact OE2-CG 3.9Å; E73-H202 IonicContact OE2-ND1 2.85Å; E73-H202 PolarHBondContact OE2-ND1 2.86Å; E73-P204 VanDerWaalsContact CD-CG 3.46Å; E73-P204 HydrophobicContact CG-CG 3.82Å
74	S	94.4	Very high	93.9	Very high	61 Å²	61	58.2 Å²	58.2	43%	0.427	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	133.1	-175.8	157.7	0	0	0	0	110.1
75	S	94	Very high	93.7	Very high	78 Å²	78	63.7 Å²	63.7	55%	0.545	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.8	169	179.8	0	0	0	0	109.3	N199 S200	S75-N199 WeakPolarHBondContact O-CA 3.3Å; S75-N199 PolarHBondContact O-ND2 2.87Å; S75-S200 PolarHBondContact N-O 3.25Å; S75-S200 PolarHBondContact O-N 2.8Å
76	V	95.4	Very high	93.2	Very high	22 Å²	22	62 Å²	62	13%	0.133	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	134.3	-179.9	178.4	0	0	0	0	108.8	T78 I197 R198 N199 I329 V331	V76-T78 HydrophobicContact CG1-CG2 3.89Å; V76-I197 HydrophobicContact CG1-CG2 4.47Å; V76-R198 WeakPolarHBondContact CA-O 3.3Å; V76-N199 HydrophobicContact CG2-CB 4.5Å; V76-I329 HydrophobicContact CG1-CB 4.07Å; V76-I329 HydrophobicContact CG1-CG1 4.44Å; V76-I329 HydrophobicContact CG1-CG2 3.76Å; V76-I329 HydrophobicContact CG2-CG2 4.09Å; V76-V331 HydrophobicContact CG2-CG2 3.6Å
77	Y	94.5	Very high	92.6	Very high	103 Å²	103	64.6 Å²	64.6	40%	0.404	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.5	170.4	172.9	-102.2	0	0	0	109.1	L79 G102 F196 R198	Y77-L79 HydrophobicContact CE1-CB 4.29Å; Y77-G102 WeakPolarHBondContact CD2-O 3.49Å; Y77-F196 HydrophobicContact CD1-CD1 4.32Å; Y77-F196 HydrophobicContact CD1-CE1 4.09Å; Y77-F196 HydrophobicContact CE1-CD1 4.32Å; Y77-F196 HydrophobicContact CE1-CE1 4.26Å; Y77-R198 HydrophobicContact CD1-CB 4.48Å; Y77-R198 PolarHBondContact N-O 2.02Å; Y77-R198 PolarHBondContact O-N 2.88Å
78	T	95.7	Very high	92.1	Very high	1 Å²	1	69.2 Å²	69.2	1%	0.006	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.3	-177.6	59	0	0	0	0	112.3	V76 G102 V103 I106 F196 I197 I329	V76-T78 HydrophobicContact CG1-CG2 3.89Å; T78-G102 PolarHBondContact N-O 3.03Å; T78-G102 WeakPolarHBondContact O-CA 3.22Å; T78-G102 VanDerWaalsContact OG1-C 3.31Å; T78-V103 WeakPolarHBondContact CG2-O 3.22Å; T78-V103 PolarHBondContact OG1-O 3.28Å; T78-I106 HydrophobicContact CG2-CG2 4.47Å; T78-F196 CarbonylContact C-O 3.53Å; T78-F196 VanDerWaalsContact CA-O 3.27Å; T78-F196 WeakPolarHBondContact CA-O 3.29Å; T78-I197 HydrophobicContact CG2-CG1 4.29Å; T78-I197 HydrophobicContact CG2-CG2 4.38Å; T78-I329 HydrophobicContact CG2-CD1 3.68Å; T78-I329 HydrophobicContact CG2-CG1 3.96Å
79	L	94.6	Very high	91.9	Very high	42 Å²	42	71.5 Å²	71.5	22%	0.22	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	124.2	175.5	176.8	63.6	0	0	0	110	Y77 K81 F196	Y77-L79 HydrophobicContact CE1-CB 4.29Å; L79-K81 VanDerWaalsContact CD2-CE 3.44Å; L79-K81 HydrophobicContact CD2-CG 4.35Å; L79-K81 HydrophobicContact CG-CG 4.24Å; L79-F196 HydrophobicContact CB-CB 4.35Å; L79-F196 HydrophobicContact CB-CD1 4.44Å; L79-F196 PolarHBondContact N-O 3.32Å; L79-F196 WeakPolarHBondContact O-CB 3.32Å; L79-F196 PolarHBondContact O-N 2.89Å
80	I	94.6	Very high	91.7	Very high	1 Å²	1	74.7 Å²	74.7	1%	0.005	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	135.9	173.2	-52.9	165.2	0	0	0	108.7	N93 Y96 A97 I106 A108 F193 T194 V195	I80-N93 WeakPolarHBondContact O-CB 3.48Å; I80-Y96 HydrophobicContact CB-CE2 3.94Å; I80-Y96 HydrophobicContact CG2-CD2 4.35Å; I80-Y96 HydrophobicContact CG2-CE2 3.48Å; I80-Y96 VanDerWaalsContact CG2-CE2 3.48Å; I80-A97 HydrophobicContact CB-CB 4.39Å; I80-A97 HydrophobicContact CD1-CB 4.07Å; I80-I106 HydrophobicContact CD1-CD1 3.8Å; I80-I106 HydrophobicContact CD1-CG1 3.82Å; I80-I106 HydrophobicContact CG1-CD1 3.74Å; I80-I106 HydrophobicContact CG1-CG1 4.29Å; I80-A108 HydrophobicContact CD1-CB 3.84Å; I80-F193 HydrophobicContact CG2-CB 4.31Å; I80-F193 HydrophobicContact CG2-CD2 4.5Å; I80-T194 CarbonylContact C-O 3.58Å; I80-T194 WeakPolarHBondContact CA-O 3.23Å; I80-V195 HydrophobicContact CG1-CG1 4.39Å; I80-V195 HydrophobicContact CG1-CG2 4.28Å
81	K	93	Very high	91.7	Very high	98 Å²	98	71.8 Å²	71.8	43%	0.426	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.5	176.8	-61.3	177.8	-176.8	170.8	0	109.8	L79 T194	L79-K81 VanDerWaalsContact CD2-CE 3.44Å; L79-K81 HydrophobicContact CD2-CG 4.35Å; L79-K81 HydrophobicContact CG-CG 4.24Å; K81-T194 PolarHBondContact N-O 2.84Å; K81-T194 PolarHBondContact O-N 2.92Å; K81-T194 PolarHBondContact O-OG1 3.37Å
82	G	92.4	Very high	91.7	Very high	20 Å²	20	66.6 Å²	66.6	21%	0.206	37%	0.367	C	S	.	.			trans	162.5	151.9	-177.2	0	0	0	0	0	109.3	Y96	G82-Y96 WeakPolarHBondContact CA-OH 3.5Å; G82-Y96 PolarHBondContact N-OH 2.67Å; G82-Y96 WeakPolarHBondContact O-CE1 3.25Å; G82-Y96 PolarHBondContact O-OH 3.34Å
83	K	92.8	Very high	91.6	Very high	147 Å²	147	68 Å²	68	64%	0.639	37%	0.373	S	S	*	.			trans	-127.4	139.6	171.8	-62.7	-175.6	178	-164.8	0	106.9	L91 D92 F193	K83-L91 WeakPolarHBondContact CA-O 3.46Å; K83-D92 WeakPolarHBondContact CE-OD2 3.45Å; K83-D92 IonicContact NZ-OD2 2.74Å; K83-F193 WeakPolarHBondContact O-CE1 3.45Å
84	A	91.1	Very high	91.5	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.008	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.3	174.4	0	0	0	0	0	110.6	L91 L187 Q189 F193	A84-L91 PolarHBondContact N-O 3.26Å; A84-L91 PolarHBondContact O-N 3.03Å; A84-L187 HydrophobicContact CB-CD1 3.51Å; A84-L187 HydrophobicContact CB-CD2 3.99Å; A84-L187 HydrophobicContact CB-CG 3.94Å; A84-Q189 VanDerWaalsContact CA-OE1 3.25Å; A84-Q189 HydrophobicContact CB-CB 3.92Å; A84-F193 HydrophobicContact CB-CE1 3.98Å; A84-F193 HydrophobicContact CB-CZ 3.58Å
85	E	88.9	Confident	91.3	Very high	140 Å²	140	69 Å²	69	65%	0.654	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	130.4	172.4	-68.7	172.7	-177.4	0	0	108.5	Q189	E85-Q189 VanDerWaalsContact N-OE1 3.1Å
86	H	84.6	Confident	91.1	Very high	26 Å²	26	65.4 Å²	65.4	12%	0.12	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	91.7	-177.8	-168.6	78.9	0	0	0	109.8	D88 D89 L91 E184 P185 L187	H86-D88 PolarHBondContact O-N 2.9Å; H86-D89 PolarHBondContact N-O 3.5Å; H86-D89 PolarHBondContact O-N 3.26Å; H86-L91 HydrophobicContact CB-CD1 3.83Å; H86-L91 HydrophobicContact CB-CG 4.09Å; H86-E184 IonicContact NE2-OE2 3.84Å; H86-P185 PolarHBondContact CE1-O 3.45Å; H86-P185 VanDerWaalsContact CE1-O 3.23Å; H86-L187 HydrophobicContact CB-CD1 4.46Å
87	G	83.6	Confident	91.1	Very high	75 Å²	75	65 Å²	65	77%	0.773	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-125	-168.6	0	0	0	0	0	109.8
88	D	84.9	Confident	90.9	Very high	173 Å²	173	64.2 Å²	64.2	93%	0.925	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-9	177.1	-61.9	-37.8	0	0	0	113.1	H86	H86-D88 PolarHBondContact O-N 2.9Å
89	D	88.4	Confident	90.8	Very high	111 Å²	111	65.8 Å²	65.8	59%	0.594	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	149.3	-176.7	-68.4	-40.6	0	0	0	112.4	H86	H86-D89 PolarHBondContact N-O 3.5Å; H86-D89 PolarHBondContact O-N 3.26Å
90	V	91.4	Very high	90.3	Very high	94 Å²	94	68.3 Å²	68.3	57%	0.57	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.9	171.6	-179.2	0	0	0	0	109.2
91	L	91.7	Very high	89.9	Confident	12 Å²	12	74.6 Å²	74.6	6%	0.063	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	127.3	176.3	-56.4	179.2	0	0	0	110.2	K83 A84 H86 E95 Y96 L187	K83-L91 WeakPolarHBondContact CA-O 3.46Å; A84-L91 PolarHBondContact N-O 3.26Å; A84-L91 PolarHBondContact O-N 3.03Å; H86-L91 HydrophobicContact CB-CD1 3.83Å; H86-L91 HydrophobicContact CB-CG 4.09Å; L91-E95 HydrophobicContact CB-CB 4.48Å; L91-E95 HydrophobicContact CD2-CB 3.99Å; L91-E95 HydrophobicContact CD2-CG 4.08Å; L91-Y96 HydrophobicContact CB-CD1 4.47Å; L91-L187 HydrophobicContact CD1-CD1 4.15Å; L91-L187 HydrophobicContact CD1-CD2 4.23Å
92	D	92.6	Very high	89.1	Confident	52 Å²	52	70.1 Å²	70.1	28%	0.278	39%	0.392	S	S	.	.			trans	-114.4	-175.3	172.3	-153.2	-15.3	0	0	0	110	K83 V94 E95 Y96	K83-D92 WeakPolarHBondContact CE-OD2 3.45Å; K83-D92 IonicContact NZ-OD2 2.74Å; D92-V94 PolarHBondContact O-N 2.94Å; D92-V94 VanDerWaalsContact O-N 3.1Å; D92-E95 VanDerWaalsContact CA-OE2 3.31Å; D92-E95 WeakPolarHBondContact CA-OE2 3.28Å; D92-E95 PolarHBondContact N-OE2 3.3Å; D92-E95 PolarHBondContact O-N 3.28Å; D92-E95 VanDerWaalsContact O-N 3.09Å; D92-Y96 WeakPolarHBondContact O-CD1 3.24Å; D92-Y96 WeakPolarHBondContact O-CE1 3.34Å
93	N	91.3	Very high	88.9	Confident	55 Å²	55	72.5 Å²	72.5	29%	0.294	40%	0.402	S	S	.	.	H	α-helix	trans	-56.6	-28.2	-173.9	71.6	-52.4	0	0	0	114.1	I80 E95 Y96 A97	I80-N93 WeakPolarHBondContact O-CB 3.48Å; N93-E95 VanDerWaalsContact C-N 3.33Å; N93-Y96 VanDerWaalsContact CA-CZ 3.42Å; N93-Y96 HydrophobicContact CB-CE2 4.4Å; N93-A97 WeakPolarHBondContact O-CB 3.35Å; N93-A97 PolarHBondContact O-N 3.43Å
94	V	90.9	Very high	88.9	Confident	111 Å²	111	69.5 Å²	69.5	67%	0.673	39%	0.393	S	S	*	.	H	α-helix	trans	-72.3	-29.8	-178.7	-176.7	0	0	0	0	111.6	D92	D92-V94 PolarHBondContact O-N 2.94Å; D92-V94 VanDerWaalsContact O-N 3.1Å
95	E	90.7	Very high	89.1	Confident	86 Å²	86	71.1 Å²	71.1	40%	0.402	40%	0.402	S	S	.	.	H	α-helix	trans	-83.6	-32.7	-177.1	-67.9	72.2	-153.1	0	0	113.1	L91 D92 N93	L91-E95 HydrophobicContact CB-CB 4.48Å; L91-E95 HydrophobicContact CD2-CB 3.99Å; L91-E95 HydrophobicContact CD2-CG 4.08Å; D92-E95 VanDerWaalsContact CA-OE2 3.31Å; D92-E95 WeakPolarHBondContact CA-OE2 3.28Å; D92-E95 PolarHBondContact N-OE2 3.3Å; D92-E95 PolarHBondContact O-N 3.28Å; D92-E95 VanDerWaalsContact O-N 3.09Å; N93-E95 VanDerWaalsContact C-N 3.33Å
96	Y	91.1	Very high	89.4	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.016	37%	0.372	C	S	.	.	H	α-helix	trans	-109.4	-22.7	-174.5	63.1	-110.2	0	0	0	115	I80 G82 L91 D92 N93 T109 F193	I80-Y96 HydrophobicContact CB-CE2 3.94Å; I80-Y96 HydrophobicContact CG2-CD2 4.35Å; I80-Y96 HydrophobicContact CG2-CE2 3.48Å; I80-Y96 VanDerWaalsContact CG2-CE2 3.48Å; G82-Y96 WeakPolarHBondContact CA-OH 3.5Å; G82-Y96 PolarHBondContact N-OH 2.67Å; G82-Y96 WeakPolarHBondContact O-CE1 3.25Å; G82-Y96 PolarHBondContact O-OH 3.34Å; L91-Y96 HydrophobicContact CB-CD1 4.47Å; D92-Y96 WeakPolarHBondContact O-CD1 3.24Å; D92-Y96 WeakPolarHBondContact O-CE1 3.34Å; N93-Y96 VanDerWaalsContact CA-CZ 3.42Å; N93-Y96 HydrophobicContact CB-CE2 4.4Å; Y96-T109 WeakPolarHBondContact O-CB 3.28Å; Y96-T109 PolarHBondContact O-N 3.36Å; Y96-T109 PolarHBondContact O-OG1 2.84Å; Y96-F193 AromaticContact CD1-CE2 3.74Å; Y96-F193 HydrophobicContact CD1-CE2 3.74Å; Y96-F193 HydrophobicContact CD1-CZ 4.36Å; Y96-F193 HydrophobicContact CD2-CD2 4.44Å; Y96-F193 HydrophobicContact CD2-CE2 4.27Å; Y96-F193 HydrophobicContact CE1-CD2 4.17Å; Y96-F193 AromaticContact CE1-CE2 3.45Å; Y96-F193 HydrophobicContact CE1-CE2 3.45Å; Y96-F193 VanDerWaalsContact CE1-CE2 3.45Å; Y96-F193 AromaticContact CE1-CZ 3.91Å; Y96-F193 HydrophobicContact CE1-CZ 3.91Å; Y96-F193 HydrophobicContact CE2-CD2 4.03Å; Y96-F193 HydrophobicContact CE2-CE2 4.05Å; Y96-F193 HydrophobicContact CG-CE2 4.16Å; Y96-F193 AromaticContact CZ-CD2 3.88Å; Y96-F193 AromaticContact CZ-CE2 3.64Å
97	A	93.7	Very high	89.8	Confident	12 Å²	12	63.4 Å²	63.4	10%	0.099	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.9	-176.8	0	0	0	0	0	111.9	I80 N93 S107	I80-A97 HydrophobicContact CB-CB 4.39Å; I80-A97 HydrophobicContact CD1-CB 4.07Å; N93-A97 WeakPolarHBondContact O-CB 3.35Å; N93-A97 PolarHBondContact O-N 3.43Å; A97-S107 WeakPolarHBondContact CA-O 3.49Å
98	H	91.9	Very high	90.4	Very high	87 Å²	87	60 Å²	60	40%	0.403	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	134.5	178.5	-167.2	78.4	0	0	0	112.4	S107 Y303	H98-S107 PolarHBondContact N-O 2.86Å; H98-S107 WeakPolarHBondContact O-CA 3.49Å; H98-S107 VanDerWaalsContact O-CB 3.32Å; H98-S107 WeakPolarHBondContact O-CB 3.31Å; H98-S107 PolarHBondContact O-N 3.41Å; H98-Y303 VanDerWaalsContact CB-OH 3.31Å; H98-Y303 WeakPolarHBondContact CB-OH 3.49Å
99	P	92	Very high	90.8	Very high	35 Å²	35	52 Å²	52	23%	0.227	29%	0.289	C	S	.	.	S	Bend	cis	-71.7	150.6	-6.9	34.1	-37.4	0	0	0	111.3	E101 G102 V105	P99-E101 WeakPolarHBondContact CB-OE2 3.17Å; P99-E101 PolarHBondContact O-N 2.79Å; P99-G102 PolarHBondContact O-N 3.48Å; P99-V105 WeakPolarHBondContact CD-O 3.3Å
100	P	85.3	Confident	91.1	Very high	94 Å²	94	47 Å²	47	61%	0.61	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-19.6	-176.5	27.9	-36	0	0	0	113.9	G102	P100-G102 PolarHBondContact O-N 2.99Å
101	E	85.4	Confident	91.1	Very high	134 Å²	134	44.4 Å²	44.4	63%	0.626	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-23.8	-179	-64.9	80.6	180	0	0	112.8	P99 V103	P99-E101 WeakPolarHBondContact CB-OE2 3.17Å; P99-E101 PolarHBondContact O-N 2.79Å; E101-V103 HydrophobicContact CB-CG2 4.28Å
102	G	75.8	Confident	91.2	Very high	4 Å²	4	45.3 Å²	45.3	4%	0.041	24%	0.244	C	C	.	.			trans	71.5	65.9	172.1	0	0	0	0	0	113.8	Y77 T78 P99 P100	Y77-G102 WeakPolarHBondContact CD2-O 3.49Å; T78-G102 PolarHBondContact N-O 3.03Å; T78-G102 WeakPolarHBondContact O-CA 3.22Å; T78-G102 VanDerWaalsContact OG1-C 3.31Å; P99-G102 PolarHBondContact O-N 3.48Å; P100-G102 PolarHBondContact O-N 2.99Å
103	V	89.1	Confident	91.2	Very high	69 Å²	69	43.4 Å²	43.4	42%	0.418	23%	0.234	S	C	.	.			trans	-95.6	-156.2	-177.2	-154	0	0	0	0	110.2	T78 E101	T78-V103 WeakPolarHBondContact CG2-O 3.22Å; T78-V103 PolarHBondContact OG1-O 3.28Å; E101-V103 HydrophobicContact CB-CG2 4.28Å
104	D	92.5	Very high	91.4	Very high	84 Å²	84	41.6 Å²	41.6	45%	0.449	22%	0.223	S	C	.	.	S	Bend	trans	-70	-19.2	173.6	61.4	-27.9	0	0	0	112.9	I329	D104-I329 WeakPolarHBondContact O-CB 3.26Å; D104-I329 WeakPolarHBondContact O-CD1 3.1Å; D104-I329 PolarHBondContact O-N 2.87Å
105	V	95	Very high	91.6	Very high	35 Å²	35	36.3 Å²	36.3	21%	0.212	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	123.8	172.7	178.3	0	0	0	0	109.6	P99 R326 L327 D328	P99-V105 WeakPolarHBondContact CD-O 3.3Å; V105-R326 HydrophobicContact CG1-CG 3.96Å; V105-R326 VanDerWaalsContact CG1-NE 3.26Å; V105-L327 WeakPolarHBondContact CA-O 3.01Å; V105-D328 WeakPolarHBondContact CG1-OD1 3.48Å
106	I	95.1	Very high	91.8	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.015	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.8	175.6	-168.9	165.7	0	0	0	111.1	T78 I80 L327 I329	T78-I106 HydrophobicContact CG2-CG2 4.47Å; I80-I106 HydrophobicContact CD1-CD1 3.8Å; I80-I106 HydrophobicContact CD1-CG1 3.82Å; I80-I106 HydrophobicContact CG1-CD1 3.74Å; I80-I106 HydrophobicContact CG1-CG1 4.29Å; I106-L327 HydrophobicContact CG2-CB 4.04Å; I106-L327 HydrophobicContact CG2-CD1 4.42Å; I106-L327 PolarHBondContact N-O 3.16Å; I106-L327 WeakPolarHBondContact O-CA 3.48Å; I106-L327 WeakPolarHBondContact O-CB 3.44Å; I106-L327 PolarHBondContact O-N 3.44Å; I106-I329 HydrophobicContact CG2-CD1 4.16Å
107	S	94.4	Very high	91.9	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.5	-179.2	-56.5	0	0	0	0	110.7	A97 H98 Y301 I325	A97-S107 WeakPolarHBondContact CA-O 3.49Å; H98-S107 PolarHBondContact N-O 2.86Å; H98-S107 WeakPolarHBondContact O-CA 3.49Å; H98-S107 VanDerWaalsContact O-CB 3.32Å; H98-S107 WeakPolarHBondContact O-CB 3.31Å; H98-S107 PolarHBondContact O-N 3.41Å; S107-Y301 PolarHBondContact OG-OH 3.42Å; S107-I325 CarbonylContact C-O 3.5Å; S107-I325 VanDerWaalsContact CA-O 3.28Å; S107-I325 WeakPolarHBondContact CA-O 3.44Å
108	A	94.9	Very high	91.9	Very high	2 Å²	2	39.5 Å²	39.5	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	111.7	170.9	0	0	0	0	0	108.8	I80 L110 L243 G324 I325	I80-A108 HydrophobicContact CD1-CB 3.84Å; A108-L110 PolarHBondContact O-N 2.79Å; A108-L243 HydrophobicContact CB-CD1 4.04Å; A108-G324 CarbonylContact O-C 3.52Å; A108-G324 WeakPolarHBondContact O-CA 3.25Å; A108-I325 PolarHBondContact N-O 2.73Å; A108-I325 PolarHBondContact O-N 2.83Å
109	T	94.1	Very high	92.1	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.043	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.9	174.6	-58	0	0	0	0	109.6	Y96 R112 Y303 A322	Y96-T109 WeakPolarHBondContact O-CB 3.28Å; Y96-T109 PolarHBondContact O-N 3.36Å; Y96-T109 PolarHBondContact O-OG1 2.84Å; T109-R112 HydrophobicContact CG2-CG 3.47Å; T109-R112 VanDerWaalsContact CG2-CG 3.47Å; T109-Y303 PolarHBondContact OG1-OH 3.38Å; T109-Y303 VanDerWaalsContact OG1-OH 3.08Å; T109-A322 HydrophobicContact CG2-CB 3.68Å
110	L	93.3	Very high	92.1	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-24.5	-177.8	-61	180	0	0	0	112.6	A108 L187 A190 F254 C258 Y323 I325	A108-L110 PolarHBondContact O-N 2.79Å; L110-L187 VanDerWaalsContact O-CB 3.29Å; L110-L187 WeakPolarHBondContact O-CB 3.25Å; L110-L187 PolarHBondContact O-N 3.45Å; L110-A190 HydrophobicContact CD2-CB 3.42Å; L110-A190 VanDerWaalsContact CD2-CB 3.42Å; L110-F254 HydrophobicContact CD1-CZ 4.21Å; L110-F254 HydrophobicContact CD2-CZ 4.1Å; L110-C258 HydrophobicContact CB-CB 4.3Å; L110-C258 HydrophobicContact CD1-CB 4.38Å; L110-Y323 PolarHBondContact N-O 3.24Å; L110-I325 HydrophobicContact CD1-CD1 3.66Å; L110-I325 HydrophobicContact CD1-CG1 3.67Å
111	R	92.4	Very high	92.5	Very high	41 Å²	41	40 Å²	40	16%	0.155	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.6	178.8	179.2	176.6	76.7	94.5	-1.6	109	E113 C258 R259 Y323	R111-E113 IonicContact CZ-OE1 3.85Å; R111-E113 IonicContact NH1-OE1 3.96Å; R111-E113 PolarHBondContact NH1-OE1 2.81Å; R111-E113 IonicContact NH2-OE1 2.75Å; R111-C258 WeakPolarHBondContact CB-O 3.4Å; R111-R259 PolarHBondContact NE-O 3.34Å; R111-R259 VanDerWaalsContact NE-O 3.09Å; R111-R259 PolarHBondContact NH2-O 2.89Å; R111-Y323 PolarHBondContact N-O 2.82Å; R111-Y323 VanDerWaalsContact NH2-CD2 3.33Å; R111-Y323 VanDerWaalsContact NH2-CE2 3.26Å; R111-Y323 VanDerWaalsContact NH2-CZ 3.33Å; R111-Y323 PolarHBondContact O-N 2.86Å
112	R	92.6	Very high	92.9	Very high	30 Å²	30	37.2 Å²	37.2	11%	0.113	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	148.1	-179.3	-62.8	172.5	-61.2	-168.4	8.2	110.3	T109 F114 E184 I320 K321	T109-R112 HydrophobicContact CG2-CG 3.47Å; T109-R112 VanDerWaalsContact CG2-CG 3.47Å; R112-F114 HydrophobicContact CB-CD2 4.11Å; R112-F114 HydrophobicContact CB-CE2 3.46Å; R112-F114 VanDerWaalsContact CB-CE2 3.46Å; R112-F114 HydrophobicContact CB-CZ 4.12Å; R112-F114 HydrophobicContact CG-CE2 4.34Å; R112-E184 IonicContact CZ-OE2 2.84Å; R112-E184 VanDerWaalsContact CZ-OE2 3.25Å; R112-E184 IonicContact NE-OE2 3.88Å; R112-E184 PolarHBondContact NE-OE2 3.35Å; R112-E184 IonicContact NH2-OE1 3.86Å; R112-E184 PolarHBondContact NH2-OE1 2.95Å; R112-E184 IonicContact NH2-OE2 2.88Å; R112-E184 PolarHBondContact NH2-OE2 3.45Å; R112-E184 WeakPolarHBondContact O-CB 3.49Å; R112-E184 PolarHBondContact O-N 3.44Å; R112-I320 HydrophobicContact CB-CG2 4.37Å; R112-I320 HydrophobicContact CG-CG2 4.43Å; R112-K321 CarbonylContact C-O 3.46Å; R112-K321 WeakPolarHBondContact CA-O 3.33Å
113	E	94.2	Very high	93.8	Very high	12 Å²	12	37.5 Å²	37.5	6%	0.056	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124	171.7	-64.2	-173.1	162.6	0	0	107.4	R111 V181 V182 R183 I320 K321 Y323	R111-E113 IonicContact CZ-OE1 3.85Å; R111-E113 IonicContact NH1-OE1 3.96Å; R111-E113 PolarHBondContact NH1-OE1 2.81Å; R111-E113 IonicContact NH2-OE1 2.75Å; E113-V181 HydrophobicContact CB-CG2 3.65Å; E113-V181 HydrophobicContact CG-CG2 4.19Å; E113-V182 WeakPolarHBondContact CA-O 3.28Å; E113-R183 HydrophobicContact CG-CB 4.48Å; E113-R183 HydrophobicContact CG-CG 4.04Å; E113-R183 IonicContact OE1-NE 3.51Å; E113-R183 PolarHBondContact OE1-NE 2.94Å; E113-I320 WeakPolarHBondContact O-CA 3.03Å; E113-K321 HydrophobicContact CB-CB 4.25Å; E113-K321 PolarHBondContact N-O 3.32Å; E113-K321 PolarHBondContact O-N 3.15Å; E113-Y323 HydrophobicContact CG-CE2 4.06Å
114	F	94.3	Very high	94	Very high	17 Å²	17	34.8 Å²	34.8	8%	0.075	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	137.3	-175.3	-71.7	-94.8	0	0	0	110.3	R112 Y116 V182 E184 T318 L319 I320	R112-F114 HydrophobicContact CB-CD2 4.11Å; R112-F114 HydrophobicContact CB-CE2 3.46Å; R112-F114 VanDerWaalsContact CB-CE2 3.46Å; R112-F114 HydrophobicContact CB-CZ 4.12Å; R112-F114 HydrophobicContact CG-CE2 4.34Å; F114-Y116 HydrophobicContact CB-CD2 4.19Å; F114-Y116 HydrophobicContact CB-CE1 4.05Å; F114-Y116 HydrophobicContact CB-CE2 3.6Å; F114-Y116 AromaticContact CD1-CE1 3.91Å; F114-Y116 HydrophobicContact CD1-CE1 3.91Å; F114-Y116 AromaticContact CD1-CZ 3.99Å; F114-Y116 HydrophobicContact CG-CE1 4.18Å; F114-Y116 HydrophobicContact CG-CE2 4.36Å; F114-Y116 AromaticContact CG-CZ 3.79Å; F114-V182 PolarHBondContact N-O 3.27Å; F114-V182 PolarHBondContact O-N 3.39Å; F114-E184 HydrophobicContact CD2-CG 4.16Å; F114-E184 HydrophobicContact CE2-CG 4.12Å; F114-E184 WeakPolarHBondContact CE2-OE1 3.49Å; F114-T318 HydrophobicContact CD1-CG2 3.7Å; F114-T318 HydrophobicContact CE1-CG2 4.46Å; F114-L319 WeakPolarHBondContact CA-O 3.48Å; F114-I320 HydrophobicContact CD1-CD1 4.07Å; F114-I320 HydrophobicContact CD1-CG1 3.66Å; F114-I320 HydrophobicContact CD1-CG2 4.45Å; F114-I320 HydrophobicContact CE1-CB 4.43Å; F114-I320 HydrophobicContact CE1-CD1 3.47Å; F114-I320 VanDerWaalsContact CE1-CD1 3.47Å; F114-I320 HydrophobicContact CE1-CG1 3.55Å; F114-I320 HydrophobicContact CE1-CG2 4.08Å; F114-I320 HydrophobicContact CZ-CD1 4.31Å; F114-I320 HydrophobicContact CZ-CG1 4.46Å; F114-I320 HydrophobicContact CZ-CG2 4.18Å
115	T	95.9	Very high	93.9	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	101.1	163.1	-49.7	0	0	0	0	107.2	Q118 P175 A180 T318 L319	T115-Q118 HydrophobicContact CG2-CG 3.8Å; T115-P175 HydrophobicContact CG2-CG 4.5Å; T115-A180 HydrophobicContact CG2-CB 4.01Å; T115-T318 WeakPolarHBondContact O-CA 3.35Å; T115-L319 PolarHBondContact N-O 2.86Å; T115-L319 PolarHBondContact O-N 2.9Å
116	Y	94.9	Very high	93.8	Very high	107 Å²	107	29.9 Å²	29.9	42%	0.42	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	154.7	-175.2	-62	-75.6	0	0	0	112	F114 Q118 V182 T318	F114-Y116 HydrophobicContact CB-CD2 4.19Å; F114-Y116 HydrophobicContact CB-CE1 4.05Å; F114-Y116 HydrophobicContact CB-CE2 3.6Å; F114-Y116 AromaticContact CD1-CE1 3.91Å; F114-Y116 HydrophobicContact CD1-CE1 3.91Å; F114-Y116 AromaticContact CD1-CZ 3.99Å; F114-Y116 HydrophobicContact CG-CE1 4.18Å; F114-Y116 HydrophobicContact CG-CE2 4.36Å; F114-Y116 AromaticContact CG-CZ 3.79Å; Y116-Q118 PolarHBondContact O-N 3.15Å; Y116-Q118 VanDerWaalsContact O-N 3.13Å; Y116-V182 HydrophobicContact CD2-CG2 4.21Å; Y116-V182 HydrophobicContact CE2-CB 4.16Å; Y116-V182 HydrophobicContact CE2-CG2 4.09Å; Y116-T318 HydrophobicContact CD1-CG2 3.7Å; Y116-T318 HydrophobicContact CE1-CG2 4.02Å; Y116-T318 HydrophobicContact CG-CG2 4.49Å
117	D	93.1	Very high	93.5	Very high	57 Å²	57	34.6 Å²	34.6	31%	0.305	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	53.8	34.8	168.6	-63.9	-47.4	0	0	0	114.4	R119 Y309 K311	D117-R119 PolarHBondContact O-N 3.11Å; D117-Y309 VanDerWaalsContact CA-OH 3.23Å; D117-Y309 WeakPolarHBondContact CA-OH 3.15Å; D117-Y309 PolarHBondContact N-OH 3.02Å; D117-Y309 VanDerWaalsContact N-OH 3.1Å; D117-Y309 PolarHBondContact OD1-OH 2.82Å; D117-K311 WeakPolarHBondContact OD1-CD 3.41Å; D117-K311 IonicContact OD1-NZ 2.93Å; D117-K311 PolarHBondContact OD1-NZ 3.22Å; D117-K311 IonicContact OD2-NZ 2.69Å; D117-K311 PolarHBondContact OD2-NZ 2.75Å
118	Q	94.6	Very high	93.2	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.019	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	134.3	171	-71.7	-164.7	-35.8	0	0	109.8	T115 Y116 W173 C174 P175 S316 R317	T115-Q118 HydrophobicContact CG2-CG 3.8Å; Y116-Q118 PolarHBondContact O-N 3.15Å; Y116-Q118 VanDerWaalsContact O-N 3.13Å; Q118-W173 HydrophobicContact CB-CB 4.19Å; Q118-W173 HydrophobicContact CB-CE3 4.06Å; Q118-W173 PolarHBondContact NE2-O 3.11Å; Q118-W173 WeakPolarHBondContact O-CZ3 3.48Å; Q118-C174 CarbonylContact C-O 3.49Å; Q118-C174 VanDerWaalsContact CA-O 3.3Å; Q118-C174 WeakPolarHBondContact CA-O 3.49Å; Q118-P175 PolarHBondContact NE2-O 2.85Å; Q118-S316 CarbonylContact O-C 3.45Å; Q118-S316 VanDerWaalsContact O-CA 3.23Å; Q118-S316 WeakPolarHBondContact O-CA 3.45Å; Q118-R317 HydrophobicContact CB-CG 3.81Å; Q118-R317 WeakPolarHBondContact CB-O 3.39Å; Q118-R317 PolarHBondContact N-O 3.22Å; Q118-R317 PolarHBondContact O-N 3.09Å
119	R	94.4	Very high	92.8	Very high	93 Å²	93	38.2 Å²	38.2	35%	0.351	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	151.3	178.5	-67.1	171.7	-179.5	178.6	0.8	110.4	D117 G121 W173 C174 V314 S316	D117-R119 PolarHBondContact O-N 3.11Å; R119-G121 PolarHBondContact O-N 2.87Å; R119-W173 WeakPolarHBondContact O-CA 3.24Å; R119-C174 PolarHBondContact N-O 2.68Å; R119-C174 PolarHBondContact O-N 2.98Å; R119-V314 HydrophobicContact CG-CG1 4.2Å; R119-S316 WeakPolarHBondContact CG-OG 3.38Å; R119-S316 PolarHBondContact NE-OG 3.01Å
120	Q	93.6	Very high	92.3	Very high	107 Å²	107	43.3 Å²	43.3	50%	0.5	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	118.9	173.2	-156.9	69.4	31.1	0	0	109.5	W173	Q120-W173 VanDerWaalsContact OE1-NE1 3.09Å
121	G	93.1	Very high	92	Very high	28 Å²	28	49.2 Å²	49.2	29%	0.289	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	-160.1	-175.2	0	0	0	0	0	113	R119 K171 A172	R119-G121 PolarHBondContact O-N 2.87Å; G121-K171 WeakPolarHBondContact O-CA 3.43Å; G121-A172 PolarHBondContact N-O 3.16Å; G121-A172 PolarHBondContact O-N 3.24Å; G121-A172 VanDerWaalsContact O-O 3.12Å
122	T	93.8	Very high	91.7	Very high	74 Å²	74	47.3 Å²	47.3	45%	0.454	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132	175.1	49.2	0	0	0	0	110.3	T154 E169 I170 K171 C174	T122-T154 HydrophobicContact CG2-CG2 4.04Å; T122-E169 WeakPolarHBondContact CB-OE1 3.42Å; T122-E169 PolarHBondContact OG1-OE1 2.99Å; T122-I170 VanDerWaalsContact CA-O 3.26Å; T122-I170 WeakPolarHBondContact CA-O 3.28Å; T122-K171 HydrophobicContact CG2-CB 4.35Å; T122-C174 VanDerWaalsContact C-SG 3.56Å
123	C	93.3	Very high	91.7	Very high	10 Å²	10	50.6 Å²	50.6	7%	0.068	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	162.8	178.6	48.3	0	0	0	0	110.8	I170 C174	C123-I170 PolarHBondContact N-O 3.33Å; C123-I170 VanDerWaalsContact O-CG1 3.3Å; C123-I170 WeakPolarHBondContact O-CG1 3.48Å; C123-I170 PolarHBondContact O-N 2.77Å; C123-C174 HydrophobicContact CB-CB 3.6Å; C123-C174 WeakPolarHBondContact CB-SG 3.34Å; C123-C174 PolarHBondContact N-SG 3.19Å; C123-C174 VanDerWaalsContact N-SG 3.35Å; C123-C174 WeakPolarHBondContact SG-CB 3.44Å; C123-C174 CovalentContact SG-SG 2.03Å; C123-C174 PolarHBondContact SG-SG 2.77Å
124	P	93.6	Very high	91.5	Very high	12 Å²	12	50.5 Å²	50.5	8%	0.078	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	138.1	173.3	25.6	-33.4	0	0	0	110.8	I158 Y160 T167	P124-I158 HydrophobicContact CB-CD1 3.96Å; P124-I158 HydrophobicContact CB-CG1 4.01Å; P124-I158 HydrophobicContact CG-CD1 4.32Å; P124-Y160 HydrophobicContact CB-CD2 3.92Å; P124-Y160 HydrophobicContact CG-CD2 4.2Å; P124-T167 VanDerWaalsContact CB-OG1 3.24Å; P124-T167 WeakPolarHBondContact CB-OG1 3.36Å
125	E	91.8	Very high	91.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-66.3	151.6	171.4	-175.6	57.4	-83.1	0	0	110.5	V129 A132 S149 H150 Y160 T167 C168 I170	E125-V129 HydrophobicContact CG-CB 4.18Å; E125-V129 HydrophobicContact CG-CG1 4.43Å; E125-V129 HydrophobicContact CG-CG2 4.32Å; E125-A132 HydrophobicContact CB-CB 4.29Å; E125-A132 HydrophobicContact CG-CB 3.84Å; E125-S149 PolarHBondContact OE2-OG 3.39Å; E125-H150 IonicContact OE1-CE1 2.7Å; E125-H150 IonicContact OE1-CG 2.77Å; E125-H150 IonicContact OE1-ND1 3.36Å; E125-H150 PolarHBondContact OE1-ND1 2.92Å; E125-H150 PolarHBondContact OE2-N 2.84Å; E125-H150 IonicContact OE2-ND1 3.48Å; E125-Y160 WeakPolarHBondContact O-CD2 3.46Å; E125-Y160 WeakPolarHBondContact O-CE2 3.41Å; E125-T167 WeakPolarHBondContact O-CB 3.35Å; E125-T167 PolarHBondContact O-OG1 3.19Å; E125-C168 WeakPolarHBondContact CB-O 3.41Å; E125-C168 PolarHBondContact N-O 3.49Å; E125-I170 HydrophobicContact CB-CD1 4.24Å; E125-I170 HydrophobicContact CB-CG1 4.18Å; E125-I170 HydrophobicContact CB-CG2 4Å; E125-I170 HydrophobicContact CG-CG2 4.46Å; E125-I170 VanDerWaalsContact OE2-CD1 3.29Å; E125-I170 WeakPolarHBondContact OE2-CD1 3.48Å
126	H	91.7	Very high	91.2	Very high	17 Å²	17	57.8 Å²	57.8	8%	0.079	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-71.1	138.9	177.5	-170.2	-91	0	0	0	111.5	S128 V129 A132 Y160 I176 E178	H126-S128 PolarHBondContact CE1-OG 2.95Å; H126-S128 VanDerWaalsContact ND1-CB 3.35Å; H126-S128 WeakPolarHBondContact ND1-CB 3.23Å; H126-S128 PolarHBondContact ND1-N 3.23Å; H126-S128 VanDerWaalsContact ND1-N 3.18Å; H126-S128 PolarHBondContact ND1-OG 3.2Å; H126-S128 PolarHBondContact O-N 2.88Å; H126-S128 VanDerWaalsContact O-N 3.17Å; H126-V129 PolarHBondContact O-N 3.39Å; H126-A132 VanDerWaalsContact O-CB 3.29Å; H126-A132 WeakPolarHBondContact O-CB 3.4Å; H126-Y160 PolarHBondContact CD2-OH 3.4Å; H126-I176 HydrophobicContact CB-CG2 4.33Å; H126-E178 HydrophobicContact CB-CB 4.33Å; H126-E178 WeakPolarHBondContact CB-OE2 3.48Å; H126-E178 WeakPolarHBondContact CD2-CB 3.38Å; H126-E178 IonicContact CD2-OE2 3.89Å; H126-E178 IonicContact CE1-OE2 3.69Å; H126-E178 PolarHBondContact CE1-OE2 3.03Å; H126-E178 VanDerWaalsContact CE1-OE2 3.32Å; H126-E178 IonicContact CG-OE2 3.25Å; H126-E178 IonicContact ND1-OE2 3.38Å; H126-E178 PolarHBondContact ND1-OE2 3.09Å; H126-E178 IonicContact NE2-OE2 3.74Å
127	F	88.8	Confident	91	Very high	102 Å²	102	57 Å²	57	45%	0.447	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.7	-172.1	64.5	-94.1	0	0	0	114.7	V129 Y160 F165 T167	F127-V129 VanDerWaalsContact C-N 3.27Å; F127-Y160 HydrophobicContact CD1-CE1 4.05Å; F127-Y160 HydrophobicContact CE1-CE1 4.47Å; F127-F165 HydrophobicContact CB-CE2 3.82Å; F127-F165 HydrophobicContact CB-CZ 4.31Å; F127-F165 HydrophobicContact CD1-CE2 4.21Å; F127-F165 AromaticContact CD1-CZ 3.94Å; F127-F165 HydrophobicContact CD1-CZ 3.94Å; F127-F165 HydrophobicContact CG-CE2 4.27Å; F127-F165 HydrophobicContact CG-CZ 4.26Å; F127-T167 HydrophobicContact CB-CG2 4.33Å
128	S	88	Confident	90.7	Very high	63 Å²	63	58.9 Å²	58.9	44%	0.441	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.2	176.1	63.2	0	0	0	0	112.8	H126 E178	H126-S128 PolarHBondContact CE1-OG 2.95Å; H126-S128 VanDerWaalsContact ND1-CB 3.35Å; H126-S128 WeakPolarHBondContact ND1-CB 3.23Å; H126-S128 PolarHBondContact ND1-N 3.23Å; H126-S128 VanDerWaalsContact ND1-N 3.18Å; H126-S128 PolarHBondContact ND1-OG 3.2Å; H126-S128 PolarHBondContact O-N 2.88Å; H126-S128 VanDerWaalsContact O-N 3.17Å; S128-E178 PolarHBondContact OG-OE2 2.93Å
129	V	87.1	Confident	90.3	Very high	16 Å²	16	62.2 Å²	62.2	10%	0.097	35%	0.348	C	S	.	.	S	Bend	trans	-76.4	137	-177.3	176.5	0	0	0	0	109.6	E125 H126 F127 N131 A132	E125-V129 HydrophobicContact CG-CB 4.18Å; E125-V129 HydrophobicContact CG-CG1 4.43Å; E125-V129 HydrophobicContact CG-CG2 4.32Å; H126-V129 PolarHBondContact O-N 3.39Å; F127-V129 VanDerWaalsContact C-N 3.27Å; V129-N131 PolarHBondContact O-N 3.24Å; V129-A132 HydrophobicContact CB-CB 3.99Å; V129-A132 WeakPolarHBondContact O-CB 3.32Å; V129-A132 PolarHBondContact O-N 3.08Å
130	D	84.8	Confident	89.9	Confident	114 Å²	114	58.1 Å²	58.1	61%	0.61	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	131.6	179.7	-71.8	-32	0	0	0	111.8	A132 R153	D130-A132 PolarHBondContact O-N 2.88Å; D130-R153 PolarHBondContact O-NH2 2.92Å
131	N	85	Confident	89.5	Confident	129 Å²	129	58.1 Å²	58.1	69%	0.69	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	29.1	-175.3	-53.5	-52.6	0	0	0	114	V129 R153	V129-N131 PolarHBondContact O-N 3.24Å; N131-R153 PolarHBondContact O-NH2 2.98Å
132	A	87.3	Confident	89.1	Confident	1 Å²	1	64 Å²	64	1%	0.008	36%	0.356	C	S	.	.			trans	-80.7	-33.4	172.1	0	0	0	0	0	113	E125 H126 V129 D130 T167 C168	E125-A132 HydrophobicContact CB-CB 4.29Å; E125-A132 HydrophobicContact CG-CB 3.84Å; H126-A132 VanDerWaalsContact O-CB 3.29Å; H126-A132 WeakPolarHBondContact O-CB 3.4Å; V129-A132 HydrophobicContact CB-CB 3.99Å; V129-A132 WeakPolarHBondContact O-CB 3.32Å; V129-A132 PolarHBondContact O-N 3.08Å; D130-A132 PolarHBondContact O-N 2.88Å; A132-T167 CarbonylContact O-C 3.56Å; A132-T167 WeakPolarHBondContact O-CA 3.04Å; A132-T167 VanDerWaalsContact O-CB 3.3Å; A132-T167 WeakPolarHBondContact O-CB 3.09Å; A132-C168 PolarHBondContact O-N 3.13Å
133	N	91.7	Very high	88.1	Confident	99 Å²	99	62.9 Å²	62.9	53%	0.529	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-70.3	133.6	177.4	-67.9	-20.1	0	0	0	110.4
134	C	91.1	Very high	86.6	Confident	10 Å²	10	67.5 Å²	67.5	7%	0.068	38%	0.383	C	S	.	.			trans	-136.8	156.2	-178.6	61.9	0	0	0	0	110.7	D139 C157 K166 T167 C168	C134-D139 HydrophobicContact CB-CB 3.95Å; C134-C157 HydrophobicContact CB-CB 3.82Å; C134-C157 WeakPolarHBondContact CB-SG 3.19Å; C134-C157 PolarHBondContact O-SG 2.85Å; C134-C157 WeakPolarHBondContact SG-CA 3.23Å; C134-C157 WeakPolarHBondContact SG-CB 3.27Å; C134-C157 CovalentContact SG-SG 2.02Å; C134-C157 PolarHBondContact SG-SG 3.23Å; C134-K166 PolarHBondContact N-O 3.18Å; C134-K166 VanDerWaalsContact N-O 3.16Å; C134-K166 WeakPolarHBondContact O-CB 3.44Å; C134-T167 VanDerWaalsContact SG-CA 3.55Å; C134-T167 PolarHBondContact SG-O 3.44Å; C134-C168 PolarHBondContact SG-N 2.86Å
135	T	91.9	Very high	85.2	Confident	107 Å²	107	71.1 Å²	71.1	66%	0.656	41%	0.406	S	S	*	.	S	Bend	trans	-112.1	-37	171.3	59.4	0	0	0	0	111.1	D139	T135-D139 PolarHBondContact N-OD2 3.04Å; T135-D139 PolarHBondContact OG1-OD2 2.95Å
136	T	91.5	Very high	84.1	Confident	64 Å²	64	73.6 Å²	73.6	39%	0.393	42%	0.42	S	S	.	.	S	Bend	trans	-129.2	158.5	-178.2	62.6	0	0	0	0	110.7	S138 D139 C157	T136-S138 PolarHBondContact O-N 2.91Å; T136-S138 PolarHBondContact OG1-OG 2.84Å; T136-D139 PolarHBondContact N-OD2 3.39Å; T136-D139 WeakPolarHBondContact O-CB 3.39Å; T136-D139 PolarHBondContact O-N 3.25Å; T136-D139 VanDerWaalsContact O-N 3.1Å; T136-D139 PolarHBondContact OG1-OD1 3.04Å; T136-D139 PolarHBondContact OG1-OD2 3.41Å; T136-C157 WeakPolarHBondContact O-CB 3.42Å
137	D	90.4	Very high	83.1	Confident	91 Å²	91	82.6 Å²	82.6	49%	0.487	46%	0.459	S	S	.	.	G	3₁₀ helix	trans	-61.3	-28.7	178.7	-69.4	-7.9	0	0	0	112.3	D139 C140 C157	D137-D139 PolarHBondContact O-N 2.99Å; D137-C140 PolarHBondContact O-N 3.12Å; D137-C140 VanDerWaalsContact O-N 3.1Å; D137-C157 WeakPolarHBondContact OD1-CA 3.48Å; D137-C157 VanDerWaalsContact OD1-CB 3.31Å; D137-C157 WeakPolarHBondContact OD1-CB 3.28Å; D137-C157 PolarHBondContact OD1-N 3.43Å
138	S	86.6	Confident	82.5	Confident	96 Å²	96	83 Å²	83	67%	0.671	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-65.1	-21.5	176.2	42.8	0	0	0	0	114.3	T136 C140	T136-S138 PolarHBondContact O-N 2.91Å; T136-S138 PolarHBondContact OG1-OG 2.84Å; S138-C140 PolarHBondContact O-N 3.21Å
139	D	86.5	Confident	82.3	Confident	74 Å²	74	80.9 Å²	80.9	40%	0.396	45%	0.451	S	S	.	.	G	3₁₀ helix	trans	-70.8	-22.9	176.6	-55.2	-28.6	0	0	0	110.9	C134 T135 T136 D137	C134-D139 HydrophobicContact CB-CB 3.95Å; T135-D139 PolarHBondContact N-OD2 3.04Å; T135-D139 PolarHBondContact OG1-OD2 2.95Å; T136-D139 PolarHBondContact N-OD2 3.39Å; T136-D139 WeakPolarHBondContact O-CB 3.39Å; T136-D139 PolarHBondContact O-N 3.25Å; T136-D139 VanDerWaalsContact O-N 3.1Å; T136-D139 PolarHBondContact OG1-OD1 3.04Å; T136-D139 PolarHBondContact OG1-OD2 3.41Å; D137-D139 PolarHBondContact O-N 2.99Å
140	C	87.4	Confident	82.4	Confident	6 Å²	6	83.8 Å²	83.8	4%	0.041	46%	0.463	C	S	.	.	S	Bend	trans	-96.6	96.8	-179.1	-57.8	0	0	0	0	110.3	D137 S138 Q142 G155 C168	D137-C140 PolarHBondContact O-N 3.12Å; D137-C140 VanDerWaalsContact O-N 3.1Å; S138-C140 PolarHBondContact O-N 3.21Å; C140-Q142 PolarHBondContact O-N 2.81Å; C140-G155 VanDerWaalsContact O-CA 3.27Å; C140-G155 WeakPolarHBondContact O-CA 3.45Å; C140-C168 VanDerWaalsContact CA-SG 3.52Å; C140-C168 HydrophobicContact CB-CB 3.88Å; C140-C168 WeakPolarHBondContact CB-SG 2.95Å; C140-C168 WeakPolarHBondContact SG-CA 3.31Å; C140-C168 WeakPolarHBondContact SG-CB 3.32Å; C140-C168 CovalentContact SG-SG 2.04Å; C140-C168 PolarHBondContact SG-SG 2.65Å
141	L	84.1	Confident	82.6	Confident	108 Å²	108	79.2 Å²	79.2	57%	0.565	44%	0.443	S	S	*	.			trans	-69.9	124.1	175	-63	175.5	0	0	0	111.1	L144 R153	L141-L144 HydrophobicContact CB-CD1 4.4Å; L141-R153 WeakPolarHBondContact O-CB 2.98Å
142	Q	84.5	Confident	82.8	Confident	151 Å²	151	77.5 Å²	77.5	71%	0.706	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	141.8	179.3	-171.9	178	21.7	0	0	111.5	C140 L144 T154	C140-Q142 PolarHBondContact O-N 2.81Å; Q142-L144 VanDerWaalsContact C-N 3.32Å; Q142-L144 PolarHBondContact O-N 3.46Å; Q142-T154 WeakPolarHBondContact CG-O 3.37Å
143	G	72.4	Confident	82.9	Confident	50 Å²	50	78.6 Å²	78.6	52%	0.515	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.3	0.4	164.3	0	0	0	0	0	116.6	P145 R153	G143-P145 VanDerWaalsContact O-CD 3.25Å; G143-P145 WeakPolarHBondContact O-CD 3.33Å; G143-R153 PolarHBondContact N-O 2.97Å
144	L	62.4	Low	82.9	Confident	108 Å²	108	75.5 Å²	75.5	57%	0.565	42%	0.421	S	S	*	.			trans	-93	109.4	170.5	-88.9	129.9	0	0	0	110.6	L141 Q142 N146	L141-L144 HydrophobicContact CB-CD1 4.4Å; Q142-L144 VanDerWaalsContact C-N 3.32Å; Q142-L144 PolarHBondContact O-N 3.46Å; L144-N146 PolarHBondContact O-N 2.93Å
145	P	64.6	Low	82.8	Confident	87 Å²	87	75.8 Å²	75.8	57%	0.565	43%	0.426	S	S	*	.			trans	-71.3	105.7	163.6	28.9	-29.8	0	0	0	107.9	G143	G143-P145 VanDerWaalsContact O-CD 3.25Å; G143-P145 WeakPolarHBondContact O-CD 3.33Å
146	N	69.4	Low	82.8	Confident	53 Å²	53	76.8 Å²	76.8	28%	0.283	42%	0.418	S	S	.	.			trans	-70.8	134.4	160.5	-172.6	9.8	0	0	0	107.2	L144 D148 S149	L144-N146 PolarHBondContact O-N 2.93Å; N146-D148 PolarHBondContact O-N 3.49Å; N146-S149 VanDerWaalsContact O-CB 3.27Å; N146-S149 WeakPolarHBondContact O-CB 3.47Å; N146-S149 PolarHBondContact O-N 2.7Å
147	F	69.6	Low	82.9	Confident	205 Å²	205	74.3 Å²	74.3	90%	0.899	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-24.7	179.4	-72.3	-75.8	0	0	0	112.2
148	D	76.8	Confident	83.1	Confident	112 Å²	112	72.2 Å²	72.2	60%	0.599	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-4.3	176.2	-51.7	-47.6	0	0	0	113.5	N146	N146-D148 PolarHBondContact O-N 3.49Å
149	S	83.3	Confident	83.4	Confident	18 Å²	18	73 Å²	73	13%	0.126	38%	0.384	C	S	.	.	S	Bend	trans	-85.2	143.4	177.6	177.3	0	0	0	0	110.9	E125 N146 G151	E125-S149 PolarHBondContact OE2-OG 3.39Å; N146-S149 VanDerWaalsContact O-CB 3.27Å; N146-S149 WeakPolarHBondContact O-CB 3.47Å; N146-S149 PolarHBondContact O-N 2.7Å; S149-G151 PolarHBondContact O-N 3.34Å; S149-G151 PolarHBondContact OG-N 3.42Å; S149-G151 PolarHBondContact OG-O 3.17Å
150	H	88.5	Confident	83.7	Confident	77 Å²	77	69.7 Å²	69.7	36%	0.356	37%	0.366	S	S	.	.	S	Bend	trans	-75.9	-13	179.8	-64	97.5	0	0	0	112.8	E125 I170 I176 E178	E125-H150 IonicContact OE1-CE1 2.7Å; E125-H150 IonicContact OE1-CG 2.77Å; E125-H150 IonicContact OE1-ND1 3.36Å; E125-H150 PolarHBondContact OE1-ND1 2.92Å; E125-H150 PolarHBondContact OE2-N 2.84Å; E125-H150 IonicContact OE2-ND1 3.48Å; H150-I170 HydrophobicContact CB-CD1 4.02Å; H150-I176 HydrophobicContact CB-CD1 3.89Å; H150-I176 HydrophobicContact CB-CG2 4.25Å; H150-E178 IonicContact CE1-OE2 2.78Å
151	G	89.2	Confident	83.7	Confident	17 Å²	17	72 Å²	72	18%	0.175	38%	0.376	C	S	.	.	S	Bend	trans	-163.8	-164.1	177.1	0	0	0	0	0	114.3	S149	S149-G151 PolarHBondContact O-N 3.34Å; S149-G151 PolarHBondContact OG-N 3.42Å; S149-G151 PolarHBondContact OG-O 3.17Å
152	I	90.1	Very high	83.9	Confident	93 Å²	93	74.2 Å²	74.2	48%	0.477	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	123	-176.8	-57.1	172.1	0	0	0	109.5	T154 I170 K171	I152-T154 PolarHBondContact O-N 2.76Å; I152-I170 CarbonylContact O-C 3.54Å; I152-I170 WeakPolarHBondContact O-CA 3.21Å; I152-K171 PolarHBondContact N-O 3.07Å; I152-K171 PolarHBondContact O-N 2.85Å
153	R	89.7	Confident	84.1	Confident	25 Å²	25	71 Å²	71	9%	0.094	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	130.1	178.5	-68	178	179.2	170.7	-2	111.6	D130 N131 L141 G143 E169 I170	D130-R153 PolarHBondContact O-NH2 2.92Å; N131-R153 PolarHBondContact O-NH2 2.98Å; L141-R153 WeakPolarHBondContact O-CB 2.98Å; G143-R153 PolarHBondContact N-O 2.97Å; R153-E169 WeakPolarHBondContact CA-O 3.3Å; R153-I170 HydrophobicContact CG-CG2 3.92Å
154	T	91	Very high	84.9	Confident	33 Å²	33	74.7 Å²	74.7	20%	0.202	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-20.9	178.6	62.5	0	0	0	0	112.8	T122 Q142 I152 E169 K171	T122-T154 HydrophobicContact CG2-CG2 4.04Å; Q142-T154 WeakPolarHBondContact CG-O 3.37Å; I152-T154 PolarHBondContact O-N 2.76Å; T154-E169 WeakPolarHBondContact CB-OE2 3.36Å; T154-E169 HydrophobicContact CG2-CG 4.19Å; T154-E169 PolarHBondContact N-O 2.97Å; T154-E169 WeakPolarHBondContact OG1-CB 3.43Å; T154-E169 PolarHBondContact OG1-O 3.11Å; T154-E169 PolarHBondContact OG1-OE2 3.11Å; T154-K171 HydrophobicContact CG2-CB 4.34Å
155	G	89.3	Confident	86.3	Confident	16 Å²	16	73 Å²	73	17%	0.165	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97.1	8.7	-176.8	0	0	0	0	0	115	C140	C140-G155 VanDerWaalsContact O-CA 3.27Å; C140-G155 WeakPolarHBondContact O-CA 3.45Å
156	R	92.6	Very high	87.7	Confident	129 Å²	129	73.6 Å²	73.6	49%	0.487	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143	177.7	-62.1	-169.3	-66.6	-177.3	0.2	111.6	I158 E169	R156-I158 HydrophobicContact CB-CG2 4.31Å; R156-E169 HydrophobicContact CB-CB 4.27Å; R156-E169 IonicContact CZ-OE1 3.86Å; R156-E169 IonicContact CZ-OE2 3.14Å; R156-E169 IonicContact NE-OE1 2.71Å; R156-E169 IonicContact NE-OE2 3.33Å; R156-E169 PolarHBondContact NE-OE2 3.1Å; R156-E169 IonicContact NH2-OE1 3.6Å; R156-E169 PolarHBondContact NH2-OE1 3.29Å; R156-E169 IonicContact NH2-OE2 2.79Å; R156-E169 PolarHBondContact NH2-OE2 3.31Å; R156-E169 PolarHBondContact O-N 2.98Å
157	C	92.9	Very high	88.8	Confident	12 Å²	12	71.1 Å²	71.1	8%	0.081	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	106.4	174.1	-177.5	0	0	0	0	109.9	C134 T136 D137 K166	C134-C157 HydrophobicContact CB-CB 3.82Å; C134-C157 WeakPolarHBondContact CB-SG 3.19Å; C134-C157 PolarHBondContact O-SG 2.85Å; C134-C157 WeakPolarHBondContact SG-CA 3.23Å; C134-C157 WeakPolarHBondContact SG-CB 3.27Å; C134-C157 CovalentContact SG-SG 2.02Å; C134-C157 PolarHBondContact SG-SG 3.23Å; T136-C157 WeakPolarHBondContact O-CB 3.42Å; D137-C157 WeakPolarHBondContact OD1-CA 3.48Å; D137-C157 VanDerWaalsContact OD1-CB 3.31Å; D137-C157 WeakPolarHBondContact OD1-CB 3.28Å; D137-C157 PolarHBondContact OD1-N 3.43Å; C157-K166 VanDerWaalsContact SG-CB 3.59Å
158	I	94.5	Very high	89.9	Confident	47 Å²	47	61.4 Å²	61.4	24%	0.241	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	159.4	-174.1	65	170.8	0	0	0	111.3	P124 R156 K166 T167 E169	P124-I158 HydrophobicContact CB-CD1 3.96Å; P124-I158 HydrophobicContact CB-CG1 4.01Å; P124-I158 HydrophobicContact CG-CD1 4.32Å; R156-I158 HydrophobicContact CB-CG2 4.31Å; I158-K166 CarbonylContact O-C 3.52Å; I158-K166 WeakPolarHBondContact O-CA 3.47Å; I158-K166 VanDerWaalsContact O-CB 3.3Å; I158-K166 WeakPolarHBondContact O-CB 3.42Å; I158-T167 PolarHBondContact N-O 3.31Å; I158-T167 PolarHBondContact O-N 2.85Å; I158-T167 VanDerWaalsContact O-O 3.06Å; I158-E169 HydrophobicContact CD1-CB 3.78Å; I158-E169 HydrophobicContact CD1-CG 3.85Å; I158-E169 HydrophobicContact CG1-CB 3.94Å; I158-E169 HydrophobicContact CG2-CB 4.2Å
159	Q	93.5	Very high	90.7	Very high	113 Å²	113	56.6 Å²	56.6	53%	0.528	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	135.3	176.7	-172.8	173	-7.3	0	0	111	H161 H163	Q159-H161 PolarHBondContact O-N 3.31Å; Q159-H163 VanDerWaalsContact CG-O 3.29Å; Q159-H163 WeakPolarHBondContact CG-O 3.33Å; Q159-H163 PolarHBondContact NE2-O 3.18Å
160	Y	91.9	Very high	91.1	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.016	28%	0.282	C	S	.	.			trans	-76.3	90.8	179.1	-174.1	-101.4	0	0	0	110.4	P124 E125 H126 F127 N162 H163 F165 T167 Y179	P124-Y160 HydrophobicContact CB-CD2 3.92Å; P124-Y160 HydrophobicContact CG-CD2 4.2Å; E125-Y160 WeakPolarHBondContact O-CD2 3.46Å; E125-Y160 WeakPolarHBondContact O-CE2 3.41Å; H126-Y160 PolarHBondContact CD2-OH 3.4Å; F127-Y160 HydrophobicContact CD1-CE1 4.05Å; F127-Y160 HydrophobicContact CE1-CE1 4.47Å; Y160-N162 PolarHBondContact O-N 3.33Å; Y160-N162 VanDerWaalsContact O-N 3.14Å; Y160-H163 HydrophobicContact CD1-CB 4.11Å; Y160-H163 AromaticContact CD1-CD2 3.53Å; Y160-H163 AromaticContact CE1-CD2 3.81Å; Y160-H163 WeakPolarHBondContact O-CB 3.4Å; Y160-H163 PolarHBondContact O-N 3.43Å; Y160-F165 VanDerWaalsContact CB-CE2 3.42Å; Y160-F165 WeakPolarHBondContact CB-O 3.44Å; Y160-F165 HydrophobicContact CD1-CD2 4.46Å; Y160-F165 HydrophobicContact CD1-CE1 4.29Å; Y160-F165 AromaticContact CD1-CE2 3.39Å; Y160-F165 HydrophobicContact CD1-CE2 3.39Å; Y160-F165 AromaticContact CD1-CZ 3.28Å; Y160-F165 HydrophobicContact CD1-CZ 3.28Å; Y160-F165 HydrophobicContact CD2-CE2 4.18Å; Y160-F165 HydrophobicContact CE1-CE2 4.2Å; Y160-F165 AromaticContact CE1-CZ 3.9Å; Y160-F165 HydrophobicContact CE1-CZ 3.9Å; Y160-F165 HydrophobicContact CG-CD2 4.21Å; Y160-F165 AromaticContact CG-CE2 3.38Å; Y160-F165 HydrophobicContact CG-CE2 3.38Å; Y160-F165 AromaticContact CG-CZ 3.83Å; Y160-F165 HydrophobicContact CG-CZ 3.83Å; Y160-F165 PolarHBondContact N-O 3.23Å; Y160-T167 HydrophobicContact CD2-CG2 3.95Å; Y160-T167 HydrophobicContact CG-CG2 4.35Å; Y160-Y179 HydrophobicContact CE1-CD2 4.08Å; Y160-Y179 HydrophobicContact CE1-CE2 4.45Å; Y160-Y179 AromaticContact CZ-CD2 3.92Å; Y160-Y179 WeakPolarHBondContact OH-CD2 3.37Å
161	H	88.2	Confident	91.4	Very high	55 Å²	55	58 Å²	58	26%	0.255	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	-119.5	-178.7	-60.4	-73.8	0	0	0	111.7	Q159 Y179	Q159-H161 PolarHBondContact O-N 3.31Å; H161-Y179 HydrophobicContact CB-CE2 3.88Å; H161-Y179 AromaticContact CD2-CD1 3.83Å; H161-Y179 AromaticContact CD2-CD2 3.44Å; H161-Y179 VanDerWaalsContact CD2-CD2 3.44Å; H161-Y179 WeakPolarHBondContact CD2-CD2 3.44Å; H161-Y179 AromaticContact CD2-CE1 3.74Å; H161-Y179 AromaticContact CD2-CE2 3.32Å; H161-Y179 WeakPolarHBondContact CD2-CE2 3.41Å; H161-Y179 AromaticContact CD2-CG 3.69Å; H161-Y179 AromaticContact CD2-CZ 3.48Å; H161-Y179 VanDerWaalsContact CD2-CZ 3.48Å; H161-Y179 AromaticContact CE1-CD1 3.69Å; H161-Y179 AromaticContact CE1-CE1 3.52Å; H161-Y179 AromaticContact CE1-CZ 3.95Å; H161-Y179 AromaticContact CG-CE1 3.79Å; H161-Y179 AromaticContact CG-CE2 3.59Å; H161-Y179 AromaticContact CG-CZ 3.37Å; H161-Y179 AromaticContact ND1-CE1 3.66Å; H161-Y179 AromaticContact ND1-CZ 3.68Å; H161-Y179 AromaticContact NE2-CD1 3.4Å; H161-Y179 WeakPolarHBondContact NE2-CD1 3.34Å; H161-Y179 AromaticContact NE2-CD2 3.81Å; H161-Y179 AromaticContact NE2-CE1 3.59Å; H161-Y179 AromaticContact NE2-CE2 3.97Å; H161-Y179 AromaticContact NE2-CG 3.51Å; H161-Y179 AromaticContact NE2-CZ 3.86Å
162	N	87.3	Confident	91.6	Very high	154 Å²	154	57.5 Å²	57.5	82%	0.824	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	14.9	-179.9	-65.9	-17.4	0	0	0	113.4	Y160	Y160-N162 PolarHBondContact O-N 3.33Å; Y160-N162 VanDerWaalsContact O-N 3.14Å
163	H	88.1	Confident	91.7	Very high	84 Å²	84	55.6 Å²	55.6	39%	0.389	27%	0.272	S	S	.	.	S	Bend	trans	-95.4	157.9	-178.7	-67.5	-78.7	0	0	0	112.5	Q159 Y160 F165	Q159-H163 VanDerWaalsContact CG-O 3.29Å; Q159-H163 WeakPolarHBondContact CG-O 3.33Å; Q159-H163 PolarHBondContact NE2-O 3.18Å; Y160-H163 HydrophobicContact CD1-CB 4.11Å; Y160-H163 AromaticContact CD1-CD2 3.53Å; Y160-H163 AromaticContact CE1-CD2 3.81Å; Y160-H163 WeakPolarHBondContact O-CB 3.4Å; Y160-H163 PolarHBondContact O-N 3.43Å; H163-F165 VanDerWaalsContact C-N 3.3Å; H163-F165 HydrophobicContact CB-CD1 3.78Å; H163-F165 HydrophobicContact CB-CE1 3.43Å; H163-F165 VanDerWaalsContact CB-CE1 3.43Å; H163-F165 HydrophobicContact CB-CZ 3.93Å; H163-F165 AromaticContact CG-CE1 3.79Å; H163-F165 PolarHBondContact O-N 2.9Å
164	P	89.3	Confident	91.9	Very high	127 Å²	127	55.3 Å²	55.3	83%	0.825	27%	0.274	S	S	*	.	S	Bend	trans	-76.7	-12.8	-177.1	30.2	-36.2	0	0	0	114.2
165	F	92.2	Very high	92.1	Very high	71 Å²	71	55.5 Å²	55.5	31%	0.311	28%	0.275	S	S	.	.	S	Bend	trans	-94.1	162	179	62.2	-92.8	0	0	0	111.8	F127 Y160 H163 T167	F127-F165 HydrophobicContact CB-CE2 3.82Å; F127-F165 HydrophobicContact CB-CZ 4.31Å; F127-F165 HydrophobicContact CD1-CE2 4.21Å; F127-F165 AromaticContact CD1-CZ 3.94Å; F127-F165 HydrophobicContact CD1-CZ 3.94Å; F127-F165 HydrophobicContact CG-CE2 4.27Å; F127-F165 HydrophobicContact CG-CZ 4.26Å; Y160-F165 VanDerWaalsContact CB-CE2 3.42Å; Y160-F165 WeakPolarHBondContact CB-O 3.44Å; Y160-F165 HydrophobicContact CD1-CD2 4.46Å; Y160-F165 HydrophobicContact CD1-CE1 4.29Å; Y160-F165 AromaticContact CD1-CE2 3.39Å; Y160-F165 HydrophobicContact CD1-CE2 3.39Å; Y160-F165 AromaticContact CD1-CZ 3.28Å; Y160-F165 HydrophobicContact CD1-CZ 3.28Å; Y160-F165 HydrophobicContact CD2-CE2 4.18Å; Y160-F165 HydrophobicContact CE1-CE2 4.2Å; Y160-F165 AromaticContact CE1-CZ 3.9Å; Y160-F165 HydrophobicContact CE1-CZ 3.9Å; Y160-F165 HydrophobicContact CG-CD2 4.21Å; Y160-F165 AromaticContact CG-CE2 3.38Å; Y160-F165 HydrophobicContact CG-CE2 3.38Å; Y160-F165 AromaticContact CG-CZ 3.83Å; Y160-F165 HydrophobicContact CG-CZ 3.83Å; Y160-F165 PolarHBondContact N-O 3.23Å; H163-F165 VanDerWaalsContact C-N 3.3Å; H163-F165 HydrophobicContact CB-CD1 3.78Å; H163-F165 HydrophobicContact CB-CE1 3.43Å; H163-F165 VanDerWaalsContact CB-CE1 3.43Å; H163-F165 HydrophobicContact CB-CZ 3.93Å; H163-F165 AromaticContact CG-CE1 3.79Å; H163-F165 PolarHBondContact O-N 2.9Å; F165-T167 HydrophobicContact CD2-CG2 4.15Å; F165-T167 HydrophobicContact CE2-CG2 4.13Å
166	K	94	Very high	92.2	Very high	101 Å²	101	55.1 Å²	55.1	44%	0.439	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	146.2	-179	-60.9	-177.5	-178	-179.4	0	111.1	C134 C157 I158	C134-K166 PolarHBondContact N-O 3.18Å; C134-K166 VanDerWaalsContact N-O 3.16Å; C134-K166 WeakPolarHBondContact O-CB 3.44Å; C157-K166 VanDerWaalsContact SG-CB 3.59Å; I158-K166 CarbonylContact O-C 3.52Å; I158-K166 WeakPolarHBondContact O-CA 3.47Å; I158-K166 VanDerWaalsContact O-CB 3.3Å; I158-K166 WeakPolarHBondContact O-CB 3.42Å
167	T	93.8	Very high	92.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	160.2	173.6	64.1	0	0	0	0	111.1	P124 E125 F127 A132 C134 I158 Y160 F165 E169	P124-T167 VanDerWaalsContact CB-OG1 3.24Å; P124-T167 WeakPolarHBondContact CB-OG1 3.36Å; E125-T167 WeakPolarHBondContact O-CB 3.35Å; E125-T167 PolarHBondContact O-OG1 3.19Å; F127-T167 HydrophobicContact CB-CG2 4.33Å; A132-T167 CarbonylContact O-C 3.56Å; A132-T167 WeakPolarHBondContact O-CA 3.04Å; A132-T167 VanDerWaalsContact O-CB 3.3Å; A132-T167 WeakPolarHBondContact O-CB 3.09Å; C134-T167 VanDerWaalsContact SG-CA 3.55Å; C134-T167 PolarHBondContact SG-O 3.44Å; I158-T167 PolarHBondContact N-O 3.31Å; I158-T167 PolarHBondContact O-N 2.85Å; I158-T167 VanDerWaalsContact O-O 3.06Å; Y160-T167 HydrophobicContact CD2-CG2 3.95Å; Y160-T167 HydrophobicContact CG-CG2 4.35Å; F165-T167 HydrophobicContact CD2-CG2 4.15Å; F165-T167 HydrophobicContact CE2-CG2 4.13Å; T167-E169 PolarHBondContact O-N 3.37Å
168	C	92.1	Very high	91.8	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	136.7	178.3	-68.5	0	0	0	0	111	E125 A132 C134 C140	E125-C168 WeakPolarHBondContact CB-O 3.41Å; E125-C168 PolarHBondContact N-O 3.49Å; A132-C168 PolarHBondContact O-N 3.13Å; C134-C168 PolarHBondContact SG-N 2.86Å; C140-C168 VanDerWaalsContact CA-SG 3.52Å; C140-C168 HydrophobicContact CB-CB 3.88Å; C140-C168 WeakPolarHBondContact CB-SG 2.95Å; C140-C168 WeakPolarHBondContact SG-CA 3.31Å; C140-C168 WeakPolarHBondContact SG-CB 3.32Å; C140-C168 CovalentContact SG-SG 2.04Å; C140-C168 PolarHBondContact SG-SG 2.65Å
169	E	93	Very high	91.4	Very high	11 Å²	11	55.4 Å²	55.4	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	133.4	172.7	-176.5	-169.7	-131.6	0	0	110.4	T122 R153 T154 R156 I158 T167	T122-E169 WeakPolarHBondContact CB-OE1 3.42Å; T122-E169 PolarHBondContact OG1-OE1 2.99Å; R153-E169 WeakPolarHBondContact CA-O 3.3Å; T154-E169 WeakPolarHBondContact CB-OE2 3.36Å; T154-E169 HydrophobicContact CG2-CG 4.19Å; T154-E169 PolarHBondContact N-O 2.97Å; T154-E169 WeakPolarHBondContact OG1-CB 3.43Å; T154-E169 PolarHBondContact OG1-O 3.11Å; T154-E169 PolarHBondContact OG1-OE2 3.11Å; R156-E169 HydrophobicContact CB-CB 4.27Å; R156-E169 IonicContact CZ-OE1 3.86Å; R156-E169 IonicContact CZ-OE2 3.14Å; R156-E169 IonicContact NE-OE1 2.71Å; R156-E169 IonicContact NE-OE2 3.33Å; R156-E169 PolarHBondContact NE-OE2 3.1Å; R156-E169 IonicContact NH2-OE1 3.6Å; R156-E169 PolarHBondContact NH2-OE1 3.29Å; R156-E169 IonicContact NH2-OE2 2.79Å; R156-E169 PolarHBondContact NH2-OE2 3.31Å; R156-E169 PolarHBondContact O-N 2.98Å; I158-E169 HydrophobicContact CD1-CB 3.78Å; I158-E169 HydrophobicContact CD1-CG 3.85Å; I158-E169 HydrophobicContact CG1-CB 3.94Å; I158-E169 HydrophobicContact CG2-CB 4.2Å; T167-E169 PolarHBondContact O-N 3.37Å
170	I	93.1	Very high	91.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	147.1	177.9	53.8	159.1	0	0	0	111	T122 C123 E125 H150 I152 R153 A172 I176	T122-I170 VanDerWaalsContact CA-O 3.26Å; T122-I170 WeakPolarHBondContact CA-O 3.28Å; C123-I170 PolarHBondContact N-O 3.33Å; C123-I170 VanDerWaalsContact O-CG1 3.3Å; C123-I170 WeakPolarHBondContact O-CG1 3.48Å; C123-I170 PolarHBondContact O-N 2.77Å; E125-I170 HydrophobicContact CB-CD1 4.24Å; E125-I170 HydrophobicContact CB-CG1 4.18Å; E125-I170 HydrophobicContact CB-CG2 4Å; E125-I170 HydrophobicContact CG-CG2 4.46Å; E125-I170 VanDerWaalsContact OE2-CD1 3.29Å; E125-I170 WeakPolarHBondContact OE2-CD1 3.48Å; H150-I170 HydrophobicContact CB-CD1 4.02Å; I152-I170 CarbonylContact O-C 3.54Å; I152-I170 WeakPolarHBondContact O-CA 3.21Å; R153-I170 HydrophobicContact CG-CG2 3.92Å; I170-A172 HydrophobicContact CD1-CB 3.87Å; I170-A172 HydrophobicContact CG1-CB 4.4Å; I170-I176 HydrophobicContact CD1-CD1 3.63Å; I170-I176 HydrophobicContact CD1-CG1 4.14Å
171	K	93.1	Very high	91.2	Very high	125 Å²	125	52.8 Å²	52.8	54%	0.543	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	109.7	167.8	-171.4	176.9	-177.7	178.4	0	108.6	G121 T122 I152 T154	G121-K171 WeakPolarHBondContact O-CA 3.43Å; T122-K171 HydrophobicContact CG2-CB 4.35Å; I152-K171 PolarHBondContact N-O 3.07Å; I152-K171 PolarHBondContact O-N 2.85Å; T154-K171 HydrophobicContact CG2-CB 4.34Å
172	A	93.1	Very high	91.4	Very high	7 Å²	7	53.6 Å²	53.6	6%	0.058	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	-173.9	-171.9	0	0	0	0	0	111.9	G121 I170 C174 I176	G121-A172 PolarHBondContact N-O 3.16Å; G121-A172 PolarHBondContact O-N 3.24Å; G121-A172 VanDerWaalsContact O-O 3.12Å; I170-A172 HydrophobicContact CD1-CB 3.87Å; I170-A172 HydrophobicContact CG1-CB 4.4Å; A172-C174 PolarHBondContact O-N 2.97Å; A172-I176 HydrophobicContact CB-CD1 4.05Å
173	W	94.1	Very high	91.6	Very high	52 Å²	52	54.7 Å²	54.7	20%	0.197	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	107.1	164.1	-74.6	93.9	0	0	0	109.1	Q118 R119 Q120 Y308 R317	Q118-W173 HydrophobicContact CB-CB 4.19Å; Q118-W173 HydrophobicContact CB-CE3 4.06Å; Q118-W173 PolarHBondContact NE2-O 3.11Å; Q118-W173 WeakPolarHBondContact O-CZ3 3.48Å; R119-W173 WeakPolarHBondContact O-CA 3.24Å; Q120-W173 VanDerWaalsContact OE1-NE1 3.09Å; W173-Y308 HydrophobicContact CH2-CD1 4.19Å; W173-Y308 AromaticContact CH2-CE1 3.76Å; W173-Y308 HydrophobicContact CH2-CE1 3.76Å; W173-Y308 AromaticContact CZ2-CE1 3.77Å; W173-Y308 HydrophobicContact CZ2-CE1 3.77Å; W173-R317 HydrophobicContact CD2-CG 4.11Å; W173-R317 VanDerWaalsContact CD2-NE 3.33Å; W173-R317 HydrophobicContact CE3-CB 4.48Å; W173-R317 HydrophobicContact CE3-CG 3.59Å; W173-R317 VanDerWaalsContact CG-NH2 3.32Å; W173-R317 HydrophobicContact CH2-CG 4.33Å; W173-R317 HydrophobicContact CZ3-CB 4.11Å; W173-R317 HydrophobicContact CZ3-CG 3.71Å
174	C	93.4	Very high	91.7	Very high	19 Å²	19	52.2 Å²	52.2	13%	0.128	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.3	-173.2	-62.1	0	0	0	0	110.8	Q118 R119 T122 C123 A172	Q118-C174 CarbonylContact C-O 3.49Å; Q118-C174 VanDerWaalsContact CA-O 3.3Å; Q118-C174 WeakPolarHBondContact CA-O 3.49Å; R119-C174 PolarHBondContact N-O 2.68Å; R119-C174 PolarHBondContact O-N 2.98Å; T122-C174 VanDerWaalsContact C-SG 3.56Å; C123-C174 HydrophobicContact CB-CB 3.6Å; C123-C174 WeakPolarHBondContact CB-SG 3.34Å; C123-C174 PolarHBondContact N-SG 3.19Å; C123-C174 VanDerWaalsContact N-SG 3.35Å; C123-C174 WeakPolarHBondContact SG-CB 3.44Å; C123-C174 CovalentContact SG-SG 2.03Å; C123-C174 PolarHBondContact SG-SG 2.77Å; A172-C174 PolarHBondContact O-N 2.97Å
175	P	93.8	Very high	91.7	Very high	37 Å²	37	50.1 Å²	50.1	24%	0.24	24%	0.243	C	C	.	.	S	Bend	cis	-76	157.4	1.8	31.8	-35.9	0	0	0	113.6	T115 Q118 Y179 A180	T115-P175 HydrophobicContact CG2-CG 4.5Å; Q118-P175 PolarHBondContact NE2-O 2.85Å; P175-Y179 HydrophobicContact CB-CD1 4.39Å; P175-A180 HydrophobicContact CB-CB 3.76Å; P175-A180 HydrophobicContact CG-CB 3.46Å; P175-A180 VanDerWaalsContact CG-CB 3.46Å
176	I	92.4	Very high	91.6	Very high	8 Å²	8	49.1 Å²	49.1	4%	0.041	24%	0.243	C	C	.	.			trans	-67.8	143.8	177.9	-57.1	-54.8	0	0	0	110.8	H126 H150 I170 A172 E178 Y179 A180	H126-I176 HydrophobicContact CB-CG2 4.33Å; H150-I176 HydrophobicContact CB-CD1 3.89Å; H150-I176 HydrophobicContact CB-CG2 4.25Å; I170-I176 HydrophobicContact CD1-CD1 3.63Å; I170-I176 HydrophobicContact CD1-CG1 4.14Å; A172-I176 HydrophobicContact CB-CD1 4.05Å; I176-E178 PolarHBondContact O-N 3.31Å; I176-Y179 PolarHBondContact O-N 2.93Å; I176-A180 PolarHBondContact O-N 3.38Å
177	E	90.6	Very high	91.4	Very high	16 Å²	16	44.7 Å²	44.7	8%	0.075	22%	0.224	C	C	.	.	H	α-helix	trans	-47	-55.7	-177.3	179.6	-173.1	134.9	0	0	111.2	Y179 A180 V181 R304 L319 K321	E177-Y179 PolarHBondContact O-N 3.42Å; E177-Y179 VanDerWaalsContact O-N 3.12Å; E177-A180 PolarHBondContact O-N 2.95Å; E177-V181 WeakPolarHBondContact O-CB 3.46Å; E177-V181 PolarHBondContact O-N 3.23Å; E177-R304 IonicContact OE1-CZ 2.74Å; E177-R304 IonicContact OE1-NE 3.58Å; E177-R304 IonicContact OE1-NH2 3.54Å; E177-R304 PolarHBondContact OE1-NH2 3.05Å; E177-R304 VanDerWaalsContact OE1-NH2 3.13Å; E177-R304 IonicContact OE2-CZ 2.73Å; E177-R304 IonicContact OE2-NE 3.81Å; E177-R304 PolarHBondContact OE2-NE 3.34Å; E177-R304 IonicContact OE2-NH2 3.08Å; E177-R304 PolarHBondContact OE2-NH2 3.46Å; E177-L319 HydrophobicContact CB-CD2 4.15Å; E177-L319 HydrophobicContact CG-CD2 4.37Å; E177-K321 VanDerWaalsContact OE1-CD 3.25Å; E177-K321 WeakPolarHBondContact OE1-CD 3.49Å; E177-K321 IonicContact OE1-NZ 3.86Å; E177-K321 PolarHBondContact OE1-NZ 2.8Å
178	E	86	Confident	91.1	Very high	83 Å²	83	48.8 Å²	48.8	39%	0.388	25%	0.249	S	C	.	.	H	α-helix	trans	-62.5	-26.3	-171.6	-61.5	-172.8	143.3	0	0	113.9	H126 S128 H150 I176	H126-E178 HydrophobicContact CB-CB 4.33Å; H126-E178 WeakPolarHBondContact CB-OE2 3.48Å; H126-E178 WeakPolarHBondContact CD2-CB 3.38Å; H126-E178 IonicContact CD2-OE2 3.89Å; H126-E178 IonicContact CE1-OE2 3.69Å; H126-E178 PolarHBondContact CE1-OE2 3.03Å; H126-E178 VanDerWaalsContact CE1-OE2 3.32Å; H126-E178 IonicContact CG-OE2 3.25Å; H126-E178 IonicContact ND1-OE2 3.38Å; H126-E178 PolarHBondContact ND1-OE2 3.09Å; H126-E178 IonicContact NE2-OE2 3.74Å; S128-E178 PolarHBondContact OG-OE2 2.93Å; H150-E178 IonicContact CE1-OE2 2.78Å; I176-E178 PolarHBondContact O-N 3.31Å
179	Y	86.3	Confident	91	Very high	95 Å²	95	53.1 Å²	53.1	37%	0.373	27%	0.269	S	S	.	.	H	α-helix	trans	-83.7	-43	176.7	176.2	-103	0	0	0	113.1	Y160 H161 P175 I176 E177	Y160-Y179 HydrophobicContact CE1-CD2 4.08Å; Y160-Y179 HydrophobicContact CE1-CE2 4.45Å; Y160-Y179 AromaticContact CZ-CD2 3.92Å; Y160-Y179 WeakPolarHBondContact OH-CD2 3.37Å; H161-Y179 HydrophobicContact CB-CE2 3.88Å; H161-Y179 AromaticContact CD2-CD1 3.83Å; H161-Y179 AromaticContact CD2-CD2 3.44Å; H161-Y179 VanDerWaalsContact CD2-CD2 3.44Å; H161-Y179 WeakPolarHBondContact CD2-CD2 3.44Å; H161-Y179 AromaticContact CD2-CE1 3.74Å; H161-Y179 AromaticContact CD2-CE2 3.32Å; H161-Y179 WeakPolarHBondContact CD2-CE2 3.41Å; H161-Y179 AromaticContact CD2-CG 3.69Å; H161-Y179 AromaticContact CD2-CZ 3.48Å; H161-Y179 VanDerWaalsContact CD2-CZ 3.48Å; H161-Y179 AromaticContact CE1-CD1 3.69Å; H161-Y179 AromaticContact CE1-CE1 3.52Å; H161-Y179 AromaticContact CE1-CZ 3.95Å; H161-Y179 AromaticContact CG-CE1 3.79Å; H161-Y179 AromaticContact CG-CE2 3.59Å; H161-Y179 AromaticContact CG-CZ 3.37Å; H161-Y179 AromaticContact ND1-CE1 3.66Å; H161-Y179 AromaticContact ND1-CZ 3.68Å; H161-Y179 AromaticContact NE2-CD1 3.4Å; H161-Y179 WeakPolarHBondContact NE2-CD1 3.34Å; H161-Y179 AromaticContact NE2-CD2 3.81Å; H161-Y179 AromaticContact NE2-CE1 3.59Å; H161-Y179 AromaticContact NE2-CE2 3.97Å; H161-Y179 AromaticContact NE2-CG 3.51Å; H161-Y179 AromaticContact NE2-CZ 3.86Å; P175-Y179 HydrophobicContact CB-CD1 4.39Å; I176-Y179 PolarHBondContact O-N 2.93Å; E177-Y179 PolarHBondContact O-N 3.42Å; E177-Y179 VanDerWaalsContact O-N 3.12Å
180	A	88.8	Confident	91	Very high	31 Å²	31	52.6 Å²	52.6	26%	0.256	27%	0.267	S	S	.	.	H	α-helix	trans	-107.6	11.4	-168.4	0	0	0	0	0	114.1	T115 P175 I176 E177 V182	T115-A180 HydrophobicContact CG2-CB 4.01Å; P175-A180 HydrophobicContact CB-CB 3.76Å; P175-A180 HydrophobicContact CG-CB 3.46Å; P175-A180 VanDerWaalsContact CG-CB 3.46Å; I176-A180 PolarHBondContact O-N 3.38Å; E177-A180 PolarHBondContact O-N 2.95Å; A180-V182 PolarHBondContact O-N 2.94Å
181	V	93.1	Very high	91	Very high	32 Å²	32	55.8 Å²	55.8	19%	0.194	28%	0.283	C	S	.	.			trans	-64.3	127.4	-177.4	61.2	0	0	0	0	112.5	E113 E177 R183	E113-V181 HydrophobicContact CB-CG2 3.65Å; E113-V181 HydrophobicContact CG-CG2 4.19Å; E177-V181 WeakPolarHBondContact O-CB 3.46Å; E177-V181 PolarHBondContact O-N 3.23Å; V181-R183 HydrophobicContact CG2-CG 4.02Å
182	V	92.9	Very high	91.1	Very high	72 Å²	72	55 Å²	55	44%	0.436	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.3	167.1	-177.7	0	0	0	0	108	E113 F114 Y116 A180	E113-V182 WeakPolarHBondContact CA-O 3.28Å; F114-V182 PolarHBondContact N-O 3.27Å; F114-V182 PolarHBondContact O-N 3.39Å; Y116-V182 HydrophobicContact CD2-CG2 4.21Å; Y116-V182 HydrophobicContact CE2-CB 4.16Å; Y116-V182 HydrophobicContact CE2-CG2 4.09Å; A180-V182 PolarHBondContact O-N 2.94Å
183	R	91.1	Very high	91.2	Very high	176 Å²	176	55 Å²	55	66%	0.664	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	118	-178	-60.5	-172.9	175.6	126.6	3.3	110.6	E113 V181	E113-R183 HydrophobicContact CG-CB 4.48Å; E113-R183 HydrophobicContact CG-CG 4.04Å; E113-R183 IonicContact OE1-NE 3.51Å; E113-R183 PolarHBondContact OE1-NE 2.94Å; V181-R183 HydrophobicContact CG2-CG 4.02Å
184	E	89.1	Confident	91.2	Very high	33 Å²	33	53.7 Å²	53.7	15%	0.154	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-78.8	151.3	172	-72.9	-174.7	169.1	0	0	111.6	H86 R112 F114	H86-E184 IonicContact NE2-OE2 3.84Å; R112-E184 IonicContact CZ-OE2 2.84Å; R112-E184 VanDerWaalsContact CZ-OE2 3.25Å; R112-E184 IonicContact NE-OE2 3.88Å; R112-E184 PolarHBondContact NE-OE2 3.35Å; R112-E184 IonicContact NH2-OE1 3.86Å; R112-E184 PolarHBondContact NH2-OE1 2.95Å; R112-E184 IonicContact NH2-OE2 2.88Å; R112-E184 PolarHBondContact NH2-OE2 3.45Å; R112-E184 WeakPolarHBondContact O-CB 3.49Å; R112-E184 PolarHBondContact O-N 3.44Å; F114-E184 HydrophobicContact CD2-CG 4.16Å; F114-E184 HydrophobicContact CE2-CG 4.12Å; F114-E184 WeakPolarHBondContact CE2-OE1 3.49Å
185	P	89.5	Confident	91.4	Very high	83 Å²	83	52.8 Å²	52.8	54%	0.539	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-65.5	155.9	171.9	23	-27.4	0	0	0	112	H86	H86-P185 PolarHBondContact CE1-O 3.45Å; H86-P185 VanDerWaalsContact CE1-O 3.23Å
186	P	90.4	Very high	91.4	Very high	49 Å²	49	52.4 Å²	52.4	32%	0.318	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-68	144	176.7	26.3	-32.6	0	0	0	112.5	V188 C258	P186-V188 PolarHBondContact O-N 3.1Å; P186-C258 HydrophobicContact CB-CB 3.65Å
187	L	90	Very high	91.6	Very high	9 Å²	9	52 Å²	52	5%	0.047	27%	0.268	C	S	.	.			trans	-81.3	76.5	179.7	-162.7	65.6	0	0	0	111.7	A84 H86 L91 L110 Q189 A190 F193	A84-L187 HydrophobicContact CB-CD1 3.51Å; A84-L187 HydrophobicContact CB-CD2 3.99Å; A84-L187 HydrophobicContact CB-CG 3.94Å; H86-L187 HydrophobicContact CB-CD1 4.46Å; L91-L187 HydrophobicContact CD1-CD1 4.15Å; L91-L187 HydrophobicContact CD1-CD2 4.23Å; L110-L187 VanDerWaalsContact O-CB 3.29Å; L110-L187 WeakPolarHBondContact O-CB 3.25Å; L110-L187 PolarHBondContact O-N 3.45Å; L187-Q189 PolarHBondContact O-N 2.93Å; L187-A190 HydrophobicContact CB-CB 4.43Å; L187-A190 HydrophobicContact CD2-CB 4.15Å; L187-A190 HydrophobicContact CG-CB 4.19Å; L187-A190 WeakPolarHBondContact O-CB 3.43Å; L187-A190 PolarHBondContact O-N 3.44Å; L187-A190 VanDerWaalsContact O-N 3.11Å; L187-F193 HydrophobicContact CD2-CE2 3.97Å; L187-F193 HydrophobicContact CD2-CZ 4.03Å
188	V	87.1	Confident	91.8	Very high	85 Å²	85	57.4 Å²	57.4	52%	0.515	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-62.4	-31	-177.5	-174.7	0	0	0	0	112.3	P186 A190 I191	P186-V188 PolarHBondContact O-N 3.1Å; V188-A190 PolarHBondContact O-N 2.99Å; V188-A190 VanDerWaalsContact O-N 3.14Å; V188-I191 WeakPolarHBondContact O-CG2 3.31Å; V188-I191 PolarHBondContact O-N 3.38Å
189	Q	90.1	Very high	92.2	Very high	93 Å²	93	53.4 Å²	53.4	44%	0.435	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-61.6	-21.4	177.9	-63.2	-178.5	9.6	0	0	113	A84 E85 L187 I191 N192	A84-Q189 VanDerWaalsContact CA-OE1 3.25Å; A84-Q189 HydrophobicContact CB-CB 3.92Å; E85-Q189 VanDerWaalsContact N-OE1 3.1Å; L187-Q189 PolarHBondContact O-N 2.93Å; Q189-I191 PolarHBondContact O-N 3.06Å; Q189-N192 PolarHBondContact O-N 2.84Å; Q189-N192 VanDerWaalsContact O-N 3.17Å
190	A	93	Very high	92.6	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-61.7	-15.9	178.4	0	0	0	0	0	113.6	L110 L187 V188 N192 F193 F254	L110-A190 HydrophobicContact CD2-CB 3.42Å; L110-A190 VanDerWaalsContact CD2-CB 3.42Å; L187-A190 HydrophobicContact CB-CB 4.43Å; L187-A190 HydrophobicContact CD2-CB 4.15Å; L187-A190 HydrophobicContact CG-CB 4.19Å; L187-A190 WeakPolarHBondContact O-CB 3.43Å; L187-A190 PolarHBondContact O-N 3.44Å; L187-A190 VanDerWaalsContact O-N 3.11Å; V188-A190 PolarHBondContact O-N 2.99Å; V188-A190 VanDerWaalsContact O-N 3.14Å; A190-N192 PolarHBondContact O-N 2.93Å; A190-N192 VanDerWaalsContact O-N 3.13Å; A190-F193 HydrophobicContact CB-CD2 3.75Å; A190-F193 HydrophobicContact CB-CE2 3.78Å; A190-F193 HydrophobicContact CB-CG 4.19Å; A190-F193 HydrophobicContact CB-CZ 4.25Å; A190-F193 VanDerWaalsContact O-CB 3.32Å; A190-F193 WeakPolarHBondContact O-CB 3.4Å; A190-F193 PolarHBondContact O-N 2.8Å; A190-F254 HydrophobicContact CB-CE1 4.34Å; A190-F254 HydrophobicContact CB-CZ 4.01Å
191	I	94.1	Very high	92.9	Very high	66 Å²	66	48.7 Å²	48.7	34%	0.338	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-55.7	-30.5	174.4	-163.6	170.5	0	0	0	112.5	V188 Q189 G244 F254	V188-I191 WeakPolarHBondContact O-CG2 3.31Å; V188-I191 PolarHBondContact O-N 3.38Å; Q189-I191 PolarHBondContact O-N 3.06Å; I191-G244 PolarHBondContact O-N 3.29Å; I191-F254 HydrophobicContact CB-CD1 3.81Å; I191-F254 HydrophobicContact CB-CE1 3.74Å; I191-F254 HydrophobicContact CB-CG 4.31Å; I191-F254 HydrophobicContact CB-CZ 4.2Å; I191-F254 HydrophobicContact CD1-CB 4.28Å; I191-F254 HydrophobicContact CD1-CD1 4.3Å; I191-F254 HydrophobicContact CD1-CG 4.29Å; I191-F254 HydrophobicContact CG1-CD1 4.06Å; I191-F254 HydrophobicContact CG1-CD2 4.43Å; I191-F254 HydrophobicContact CG1-CE1 4.4Å; I191-F254 HydrophobicContact CG1-CG 4.08Å
192	N	94.1	Very high	93	Very high	108 Å²	108	49.8 Å²	49.8	58%	0.578	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-93.2	-1.9	-179.9	-69.2	-39.5	0	0	0	113.6	Q189 A190	Q189-N192 PolarHBondContact O-N 2.84Å; Q189-N192 VanDerWaalsContact O-N 3.17Å; A190-N192 PolarHBondContact O-N 2.93Å; A190-N192 VanDerWaalsContact O-N 3.13Å
193	F	95.3	Very high	93.1	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	23%	0.23	C	C	.	.			trans	-66.2	148.3	176.2	-67.3	-0.5	0	0	0	110.2	I80 K83 A84 Y96 L187 A190 R242 L243	I80-F193 HydrophobicContact CG2-CB 4.31Å; I80-F193 HydrophobicContact CG2-CD2 4.5Å; K83-F193 WeakPolarHBondContact O-CE1 3.45Å; A84-F193 HydrophobicContact CB-CE1 3.98Å; A84-F193 HydrophobicContact CB-CZ 3.58Å; Y96-F193 AromaticContact CD1-CE2 3.74Å; Y96-F193 HydrophobicContact CD1-CE2 3.74Å; Y96-F193 HydrophobicContact CD1-CZ 4.36Å; Y96-F193 HydrophobicContact CD2-CD2 4.44Å; Y96-F193 HydrophobicContact CD2-CE2 4.27Å; Y96-F193 HydrophobicContact CE1-CD2 4.17Å; Y96-F193 AromaticContact CE1-CE2 3.45Å; Y96-F193 HydrophobicContact CE1-CE2 3.45Å; Y96-F193 VanDerWaalsContact CE1-CE2 3.45Å; Y96-F193 AromaticContact CE1-CZ 3.91Å; Y96-F193 HydrophobicContact CE1-CZ 3.91Å; Y96-F193 HydrophobicContact CE2-CD2 4.03Å; Y96-F193 HydrophobicContact CE2-CE2 4.05Å; Y96-F193 HydrophobicContact CG-CE2 4.16Å; Y96-F193 AromaticContact CZ-CD2 3.88Å; Y96-F193 AromaticContact CZ-CE2 3.64Å; L187-F193 HydrophobicContact CD2-CE2 3.97Å; L187-F193 HydrophobicContact CD2-CZ 4.03Å; A190-F193 HydrophobicContact CB-CD2 3.75Å; A190-F193 HydrophobicContact CB-CE2 3.78Å; A190-F193 HydrophobicContact CB-CG 4.19Å; A190-F193 HydrophobicContact CB-CZ 4.25Å; A190-F193 VanDerWaalsContact O-CB 3.32Å; A190-F193 WeakPolarHBondContact O-CB 3.4Å; A190-F193 PolarHBondContact O-N 2.8Å; F193-R242 CarbonylContact O-C 3.54Å; F193-R242 WeakPolarHBondContact O-CA 3.44Å; F193-L243 HydrophobicContact CB-CD1 3.92Å; F193-L243 HydrophobicContact CB-CG 4.32Å; F193-L243 HydrophobicContact CD2-CD1 4.48Å; F193-L243 PolarHBondContact O-N 3.15Å
194	T	95.3	Very high	93.3	Very high	25 Å²	25	40.2 Å²	40.2	15%	0.153	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.4	-178.7	55.5	0	0	0	0	110.7	I80 K81 F241 R242	I80-T194 CarbonylContact C-O 3.58Å; I80-T194 WeakPolarHBondContact CA-O 3.23Å; K81-T194 PolarHBondContact N-O 2.84Å; K81-T194 PolarHBondContact O-N 2.92Å; K81-T194 PolarHBondContact O-OG1 3.37Å; T194-F241 CarbonylContact C-O 3.58Å; T194-F241 VanDerWaalsContact CA-O 3.23Å; T194-F241 WeakPolarHBondContact CA-O 3.03Å; T194-R242 HydrophobicContact CG2-CG 4.3Å
195	V	95.9	Very high	93.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	115	169.8	-168.4	0	0	0	0	107.6	I80 I197 F241 L243 I246 L327	I80-V195 HydrophobicContact CG1-CG1 4.39Å; I80-V195 HydrophobicContact CG1-CG2 4.28Å; V195-I197 HydrophobicContact CG1-CD1 4.27Å; V195-I197 HydrophobicContact CG1-CG1 3.84Å; V195-F241 PolarHBondContact N-O 2.89Å; V195-F241 PolarHBondContact O-N 2.87Å; V195-L243 HydrophobicContact CG2-CD2 3.38Å; V195-L243 HydrophobicContact CG2-CG 3.93Å; V195-I246 HydrophobicContact CG2-CD1 4.2Å; V195-L327 HydrophobicContact CB-CD1 4.49Å; V195-L327 HydrophobicContact CG1-CD1 4.1Å; V195-L327 HydrophobicContact CG2-CD1 3.81Å
196	F	95	Very high	93.7	Very high	28 Å²	28	40.7 Å²	40.7	12%	0.123	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	118.8	170.2	175.3	-100	0	0	0	108.5	Y77 T78 L79 R198 L225 P239 N240	Y77-F196 HydrophobicContact CD1-CD1 4.32Å; Y77-F196 HydrophobicContact CD1-CE1 4.09Å; Y77-F196 HydrophobicContact CE1-CD1 4.32Å; Y77-F196 HydrophobicContact CE1-CE1 4.26Å; T78-F196 CarbonylContact C-O 3.53Å; T78-F196 VanDerWaalsContact CA-O 3.27Å; T78-F196 WeakPolarHBondContact CA-O 3.29Å; L79-F196 HydrophobicContact CB-CB 4.35Å; L79-F196 HydrophobicContact CB-CD1 4.44Å; L79-F196 PolarHBondContact N-O 3.32Å; L79-F196 WeakPolarHBondContact O-CB 3.32Å; L79-F196 PolarHBondContact O-N 2.89Å; F196-R198 HydrophobicContact CE1-CB 3.72Å; F196-R198 HydrophobicContact CZ-CB 4Å; F196-L225 HydrophobicContact CE2-CD2 4.22Å; F196-P239 CarbonylContact C-O 3.57Å; F196-P239 WeakPolarHBondContact CA-O 3.39Å; F196-P239 HydrophobicContact CD2-CB 3.95Å; F196-P239 HydrophobicContact CD2-CG 3.73Å; F196-P239 HydrophobicContact CE2-CB 3.84Å; F196-P239 HydrophobicContact CE2-CG 3.38Å; F196-P239 HydrophobicContact CZ-CG 4.36Å; F196-N240 WeakPolarHBondContact CD2-OD1 3.38Å
197	I	96	Very high	93.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	109	178.6	-54.4	177.2	0	0	0	108.1	V76 T78 V195 N212 P239 F241 V266 I268 I329	V76-I197 HydrophobicContact CG1-CG2 4.47Å; T78-I197 HydrophobicContact CG2-CG1 4.29Å; T78-I197 HydrophobicContact CG2-CG2 4.38Å; V195-I197 HydrophobicContact CG1-CD1 4.27Å; V195-I197 HydrophobicContact CG1-CG1 3.84Å; I197-N212 PolarHBondContact O-ND2 2.87Å; I197-P239 PolarHBondContact N-O 2.93Å; I197-P239 WeakPolarHBondContact O-CB 3.47Å; I197-F241 HydrophobicContact CB-CD2 4.34Å; I197-F241 HydrophobicContact CB-CE2 4.09Å; I197-F241 HydrophobicContact CD1-CD2 3.8Å; I197-F241 HydrophobicContact CD1-CE2 4.01Å; I197-F241 HydrophobicContact CG1-CD2 4.01Å; I197-F241 HydrophobicContact CG1-CE2 4.23Å; I197-V266 HydrophobicContact CD1-CG1 3.97Å; I197-I268 HydrophobicContact CG2-CD1 3.97Å; I197-I329 HydrophobicContact CD1-CG1 4.3Å; I197-I329 HydrophobicContact CG2-CG1 4.48Å; I197-I329 HydrophobicContact CG2-CG2 4.29Å
198	R	94.3	Very high	93.9	Very high	129 Å²	129	48 Å²	48	49%	0.487	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	116.9	171.6	-178.1	-179.2	-176.8	-175.8	-0.6	108.4	V76 Y77 F196 V213	V76-R198 WeakPolarHBondContact CA-O 3.3Å; Y77-R198 HydrophobicContact CD1-CB 4.48Å; Y77-R198 PolarHBondContact N-O 2.02Å; Y77-R198 PolarHBondContact O-N 2.88Å; F196-R198 HydrophobicContact CE1-CB 3.72Å; F196-R198 HydrophobicContact CZ-CB 4Å; R198-V213 HydrophobicContact CG-CG2 4.27Å
199	N	95.8	Very high	94.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.8	176.3	172.5	-120.4	0	0	0	109.7	S75 V76 I201 V211 N212 I268 W270	S75-N199 WeakPolarHBondContact O-CA 3.3Å; S75-N199 PolarHBondContact O-ND2 2.87Å; V76-N199 HydrophobicContact CG2-CB 4.5Å; N199-I201 WeakPolarHBondContact OD1-CG2 3.33Å; N199-V211 WeakPolarHBondContact O-CA 3.23Å; N199-N212 PolarHBondContact N-OD1 3.46Å; N199-N212 PolarHBondContact O-N 3.09Å; N199-N212 PolarHBondContact O-OD1 3.14Å; N199-N212 VanDerWaalsContact O-OD1 3.09Å; N199-I268 HydrophobicContact CB-CD1 3.95Å; N199-W270 PolarHBondContact OD1-NE1 2.83Å
200	S	93.8	Very high	94.3	Very high	27 Å²	27	48.1 Å²	48.1	19%	0.189	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.8	171.7	-47.8	0	0	0	0	107.8	S75 R210	S75-S200 PolarHBondContact N-O 3.25Å; S75-S200 PolarHBondContact O-N 2.8Å; S200-R210 CarbonylContact C-O 3.58Å; S200-R210 WeakPolarHBondContact CA-O 3.36Å
201	I	94.9	Very high	94.2	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	139.1	176.6	56.3	150.7	0	0	0	109.8	E73 N199 F203 L209 R210 W270 V331	E73-I201 CarbonylContact O-C 3.59Å; E73-I201 WeakPolarHBondContact O-CA 3.39Å; N199-I201 WeakPolarHBondContact OD1-CG2 3.33Å; I201-F203 HydrophobicContact CD1-CD2 4.37Å; I201-F203 HydrophobicContact CD1-CE2 3.54Å; I201-F203 HydrophobicContact CD1-CZ 3.99Å; I201-L209 CarbonylContact O-C 3.5Å; I201-L209 WeakPolarHBondContact O-CA 3.34Å; I201-L209 WeakPolarHBondContact O-CD1 3.32Å; I201-R210 HydrophobicContact CD1-CB 4.1Å; I201-R210 HydrophobicContact CG1-CB 3.79Å; I201-R210 PolarHBondContact N-O 2.95Å; I201-R210 PolarHBondContact O-N 2.92Å; I201-W270 HydrophobicContact CD1-CB 3.66Å; I201-W270 HydrophobicContact CD1-CD2 3.36Å; I201-W270 HydrophobicContact CD1-CE3 3.76Å; I201-W270 HydrophobicContact CD1-CG 3.35Å; I201-W270 HydrophobicContact CD1-CZ2 4.48Å; I201-W270 HydrophobicContact CD1-CZ3 4.46Å; I201-W270 HydrophobicContact CG1-CD2 3.96Å; I201-W270 HydrophobicContact CG1-CE3 4.44Å; I201-W270 HydrophobicContact CG1-CG 4.19Å; I201-W270 HydrophobicContact CG1-CZ2 4.2Å; I201-W270 HydrophobicContact CG2-CG 4.47Å; I201-V331 HydrophobicContact CG2-CG1 3.8Å
202	H	95.2	Very high	94.1	Very high	55 Å²	55	47.3 Å²	47.3	26%	0.255	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.6	177.3	179.5	-128.1	0	0	0	108.5	P72 E73 P204 V208 L209	P72-H202 CarbonylContact C-O 3.55Å; P72-H202 VanDerWaalsContact CA-O 3.3Å; P72-H202 WeakPolarHBondContact CA-O 3.12Å; P72-H202 VanDerWaalsContact CB-O 3.29Å; P72-H202 WeakPolarHBondContact CB-O 3.3Å; E73-H202 HydrophobicContact CB-CB 4.22Å; E73-H202 PolarHBondContact N-O 2.93Å; E73-H202 PolarHBondContact O-N 3.49Å; E73-H202 IonicContact OE2-CE1 3.06Å; E73-H202 IonicContact OE2-CG 3.9Å; E73-H202 IonicContact OE2-ND1 2.85Å; E73-H202 PolarHBondContact OE2-ND1 2.86Å; H202-P204 VanDerWaalsContact O-CD 3.3Å; H202-P204 WeakPolarHBondContact O-CD 3.37Å; H202-V208 WeakPolarHBondContact CA-O 3.45Å; H202-L209 HydrophobicContact CB-CD1 3.88Å
203	F	95.6	Very high	93.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	91.4	173.6	-72.8	-70.5	0	0	0	107.8	E69 P72 I201 K205 F206 K207 V208 A335	E69-F203 HydrophobicContact CB-CD1 4.41Å; E69-F203 HydrophobicContact CG-CD1 4.24Å; E69-F203 WeakPolarHBondContact OE2-CA 3.31Å; E69-F203 VanDerWaalsContact OE2-CB 3.23Å; E69-F203 WeakPolarHBondContact OE2-CB 3.25Å; P72-F203 HydrophobicContact CB-CD1 3.78Å; P72-F203 HydrophobicContact CB-CE1 3.62Å; P72-F203 HydrophobicContact CB-CG 4.45Å; P72-F203 HydrophobicContact CB-CZ 4.18Å; P72-F203 HydrophobicContact CG-CE1 3.94Å; P72-F203 HydrophobicContact CG-CZ 4.4Å; I201-F203 HydrophobicContact CD1-CD2 4.37Å; I201-F203 HydrophobicContact CD1-CE2 3.54Å; I201-F203 HydrophobicContact CD1-CZ 3.99Å; F203-K205 VanDerWaalsContact C-N 3.27Å; F203-K205 PolarHBondContact O-N 2.75Å; F203-F206 HydrophobicContact CB-CB 4.49Å; F203-F206 HydrophobicContact CB-CD2 4.24Å; F203-F206 CarbonylContact O-C 3.58Å; F203-F206 PolarHBondContact O-N 3.06Å; F203-F206 VanDerWaalsContact O-N 3.15Å; F203-K207 WeakPolarHBondContact O-CA 3.41Å; F203-K207 PolarHBondContact O-N 2.97Å; F203-V208 PolarHBondContact N-O 2.8Å; F203-V208 PolarHBondContact O-N 2.74Å; F203-A335 HydrophobicContact CD1-CB 3.54Å; F203-A335 HydrophobicContact CD2-CB 3.86Å; F203-A335 HydrophobicContact CE1-CB 3.45Å; F203-A335 VanDerWaalsContact CE1-CB 3.45Å; F203-A335 HydrophobicContact CE2-CB 3.76Å; F203-A335 HydrophobicContact CG-CB 3.75Å; F203-A335 HydrophobicContact CZ-CB 3.58Å
204	P	94.8	Very high	93.3	Very high	46 Å²	46	48.4 Å²	48.4	30%	0.299	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-37.4	-171.2	-26.1	35	0	0	0	113.3	E69 E73 H202 F206 K207	E69-P204 WeakPolarHBondContact OE1-CD 3.43Å; E73-P204 VanDerWaalsContact CD-CG 3.46Å; E73-P204 HydrophobicContact CG-CG 3.82Å; H202-P204 VanDerWaalsContact O-CD 3.3Å; H202-P204 WeakPolarHBondContact O-CD 3.37Å; P204-F206 VanDerWaalsContact C-N 3.28Å; P204-F206 PolarHBondContact O-N 2.85Å; P204-K207 PolarHBondContact O-N 2.8Å
205	K	93.4	Very high	92.4	Very high	102 Å²	102	48.8 Å²	48.8	44%	0.443	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-38.4	179.7	-169.4	178	-174.9	174.9	0	112.3	S68 E69 F203	S68-K205 PolarHBondContact O-NZ 2.86Å; E69-K205 HydrophobicContact CB-CD 4.26Å; E69-K205 VanDerWaalsContact CD-CB 3.4Å; E69-K205 HydrophobicContact CG-CB 4.39Å; E69-K205 VanDerWaalsContact OE1-CB 3.25Å; E69-K205 WeakPolarHBondContact OE1-CB 3.35Å; E69-K205 PolarHBondContact OE1-N 3.47Å; E69-K205 VanDerWaalsContact OE1-N 3.15Å; E69-K205 VanDerWaalsContact OE2-CB 3.31Å; E69-K205 WeakPolarHBondContact OE2-CB 3.44Å; E69-K205 PolarHBondContact OE2-N 3.42Å; F203-K205 VanDerWaalsContact C-N 3.27Å; F203-K205 PolarHBondContact O-N 2.75Å
206	F	93.3	Very high	91.6	Very high	25 Å²	25	51.5 Å²	51.5	11%	0.11	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-7.7	179.7	-53.6	-56.6	0	0	0	113.7	Q67 E69 F203 P204 V208 L274 A335 K337	Q67-F206 HydrophobicContact CB-CE1 4.49Å; Q67-F206 HydrophobicContact CB-CZ 4.5Å; Q67-F206 WeakPolarHBondContact O-CZ 3.49Å; E69-F206 HydrophobicContact CB-CD2 4.22Å; E69-F206 HydrophobicContact CB-CE2 3.55Å; E69-F206 HydrophobicContact CB-CZ 4.28Å; E69-F206 WeakPolarHBondContact OE2-CD2 3Å; F203-F206 HydrophobicContact CB-CB 4.49Å; F203-F206 HydrophobicContact CB-CD2 4.24Å; F203-F206 CarbonylContact O-C 3.58Å; F203-F206 PolarHBondContact O-N 3.06Å; F203-F206 VanDerWaalsContact O-N 3.15Å; P204-F206 VanDerWaalsContact C-N 3.28Å; P204-F206 PolarHBondContact O-N 2.85Å; F206-V208 VanDerWaalsContact C-N 3.26Å; F206-V208 HydrophobicContact CB-CG2 4.06Å; F206-V208 PolarHBondContact O-N 2.84Å; F206-L274 HydrophobicContact CB-CD1 3.67Å; F206-L274 HydrophobicContact CD2-CD1 3.54Å; F206-L274 HydrophobicContact CE2-CD1 4.33Å; F206-L274 HydrophobicContact CG-CD1 3.65Å; F206-A335 HydrophobicContact CD2-CB 3.95Å; F206-A335 HydrophobicContact CE2-CB 3.96Å; F206-K337 HydrophobicContact CD1-CB 3.81Å; F206-K337 HydrophobicContact CD1-CD 3.91Å; F206-K337 HydrophobicContact CD1-CG 4.49Å; F206-K337 HydrophobicContact CE1-CB 3.68Å; F206-K337 HydrophobicContact CG-CB 4.39Å; F206-K337 HydrophobicContact CG-CD 4.46Å; F206-K337 HydrophobicContact CZ-CB 4.13Å
207	K	93.5	Very high	90.7	Very high	180 Å²	180	56.7 Å²	56.7	78%	0.783	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	38.8	-174.3	-54.8	180	-178.5	-179.7	0	112.8	F203 P204	F203-K207 WeakPolarHBondContact O-CA 3.41Å; F203-K207 PolarHBondContact O-N 2.97Å; P204-K207 PolarHBondContact O-N 2.8Å
208	V	92.5	Very high	89.9	Confident	30 Å²	30	61.2 Å²	61.2	18%	0.182	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.6	-179.7	176.2	0	0	0	0	109.5	H202 F203 F206 R210 L274	H202-V208 WeakPolarHBondContact CA-O 3.45Å; F203-V208 PolarHBondContact N-O 2.8Å; F203-V208 PolarHBondContact O-N 2.74Å; F206-V208 VanDerWaalsContact C-N 3.26Å; F206-V208 HydrophobicContact CB-CG2 4.06Å; F206-V208 PolarHBondContact O-N 2.84Å; V208-R210 HydrophobicContact CG1-CG 4.17Å; V208-L274 HydrophobicContact CG1-CD2 4.14Å; V208-L274 HydrophobicContact CG2-CD1 4.04Å; V208-L274 HydrophobicContact CG2-CD2 4.36Å
209	L	92.6	Very high	89.3	Confident	112 Å²	112	59.2 Å²	59.2	59%	0.586	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.9	172.3	-176.9	77.6	0	0	0	109.5	I201 H202	I201-L209 CarbonylContact O-C 3.5Å; I201-L209 WeakPolarHBondContact O-CA 3.34Å; I201-L209 WeakPolarHBondContact O-CD1 3.32Å; H202-L209 HydrophobicContact CB-CD1 3.88Å
210	R	91.8	Very high	88.8	Confident	70 Å²	70	67.7 Å²	67.7	26%	0.264	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	150.8	171.8	-60.7	-68.5	-179.5	-178.2	-3.3	110.5	S200 I201 V208 W270 P278	S200-R210 CarbonylContact C-O 3.58Å; S200-R210 WeakPolarHBondContact CA-O 3.36Å; I201-R210 HydrophobicContact CD1-CB 4.1Å; I201-R210 HydrophobicContact CG1-CB 3.79Å; I201-R210 PolarHBondContact N-O 2.95Å; I201-R210 PolarHBondContact O-N 2.92Å; V208-R210 HydrophobicContact CG1-CG 4.17Å; R210-W270 HydrophobicContact CB-CH2 4.06Å; R210-W270 HydrophobicContact CB-CZ3 3.94Å; R210-P278 VanDerWaalsContact NH2-CB 3.31Å
211	V	92.1	Very high	88.4	Confident	49 Å²	49	69.4 Å²	69.4	30%	0.297	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.2	178	-172.9	0	0	0	0	107.5	N199 V213	N199-V211 WeakPolarHBondContact O-CA 3.23Å; V211-V213 HydrophobicContact CG1-CB 4.18Å; V211-V213 HydrophobicContact CG1-CG2 4.34Å; V211-V213 PolarHBondContact O-N 2.97Å
212	N	91.7	Very high	87.9	Confident	0 Å²	0	78 Å²	78	0%	0	42%	0.417	C	S	.	.	S	Bend	trans	-72	-5.2	179.2	73.2	-41.6	0	0	0	114.4	I197 N199 Y237 W270 P283 Y285	I197-N212 PolarHBondContact O-ND2 2.87Å; N199-N212 PolarHBondContact N-OD1 3.46Å; N199-N212 PolarHBondContact O-N 3.09Å; N199-N212 PolarHBondContact O-OD1 3.14Å; N199-N212 VanDerWaalsContact O-OD1 3.09Å; N212-Y237 CarbonylContact O-C 3.54Å; N212-Y237 WeakPolarHBondContact O-CA 3.5Å; N212-W270 HydrophobicContact CB-CH2 4.4Å; N212-W270 HydrophobicContact CB-CZ2 3.96Å; N212-P283 HydrophobicContact CB-CB 4.47Å; N212-P283 HydrophobicContact CB-CG 3.92Å; N212-Y285 VanDerWaalsContact CB-OH 3.28Å; N212-Y285 WeakPolarHBondContact CB-OH 3.18Å; N212-Y285 PolarHBondContact ND2-OH 3.19Å
213	V	88.6	Confident	87.5	Confident	33 Å²	33	81.1 Å²	81.1	20%	0.2	43%	0.43	C	S	.	.			trans	-101.3	103.4	-176.9	-176	0	0	0	0	109.5	R198 V211 T221 L225 P239	R198-V213 HydrophobicContact CG-CG2 4.27Å; V211-V213 HydrophobicContact CG1-CB 4.18Å; V211-V213 HydrophobicContact CG1-CG2 4.34Å; V211-V213 PolarHBondContact O-N 2.97Å; V213-T221 HydrophobicContact CG1-CG2 4.37Å; V213-L225 HydrophobicContact CG1-CD1 4.36Å; V213-L225 HydrophobicContact CG1-CD2 3.8Å; V213-L225 HydrophobicContact CG1-CG 4.47Å; V213-P239 HydrophobicContact CG2-CB 3.99Å; V213-P239 HydrophobicContact CG2-CG 3.87Å
214	E	83.2	Confident	87.1	Confident	106 Å²	106	82.3 Å²	82.3	50%	0.495	43%	0.434	S	S	.	.			trans	-131	133	174.9	-168.3	166.9	-179.1	0	0	109.8	Y224 Y237	E214-Y224 VanDerWaalsContact O-CE1 3.29Å; E214-Y224 WeakPolarHBondContact O-CE1 3.11Å; E214-Y237 HydrophobicContact CB-CD1 3.88Å; E214-Y237 HydrophobicContact CB-CD2 4.47Å; E214-Y237 HydrophobicContact CB-CE1 4.45Å; E214-Y237 HydrophobicContact CB-CG 3.88Å
215	S	77.5	Confident	86.8	Confident	33 Å²	33	82.2 Å²	82.2	23%	0.231	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-96.3	141.5	178	49	0	0	0	0	111	T221	S215-T221 PolarHBondContact OG-OG1 3.28Å
216	P	78.4	Confident	86.4	Confident	57 Å²	57	86.1 Å²	86.1	37%	0.37	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-55.9	150.1	175.6	-24.8	33.2	0	0	0	112.8	G218 M219 Y224	P216-G218 PolarHBondContact O-N 3.01Å; P216-M219 PolarHBondContact O-N 3.32Å; P216-M219 VanDerWaalsContact O-N 3.15Å; P216-Y224 HydrophobicContact CG-CD2 4.19Å; P216-Y224 HydrophobicContact CG-CE2 4.04Å
217	P	76.8	Confident	86.2	Confident	137 Å²	137	93.9 Å²	93.9	89%	0.89	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	132.6	176.5	-23.1	32.1	0	0	0	111.5	M219	P217-M219 VanDerWaalsContact C-N 3.34Å; P217-M219 PolarHBondContact O-N 3.36Å
218	G	78	Confident	86.1	Confident	95 Å²	95	86 Å²	86	98%	0.979	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.9	-3.1	179	0	0	0	0	0	115.9	P216	P216-G218 PolarHBondContact O-N 3.01Å
219	M	81.7	Confident	86.1	Confident	86 Å²	86	88.3 Å²	88.3	42%	0.424	45%	0.452	S	S	.	.	S	Bend	trans	-110.3	128.9	175.2	-168.2	172.4	-70.7	0	0	112.3	P216 P217 T221 Y224	P216-M219 PolarHBondContact O-N 3.32Å; P216-M219 VanDerWaalsContact O-N 3.15Å; P217-M219 VanDerWaalsContact C-N 3.34Å; P217-M219 PolarHBondContact O-N 3.36Å; M219-T221 PolarHBondContact O-N 3.48Å; M219-Y224 HydrophobicContact SD-CD2 4.26Å
220	K	86.1	Confident	86.2	Confident	179 Å²	179	83.7 Å²	83.7	78%	0.778	43%	0.427	S	S	*	.			trans	-61.5	128.1	172.4	-67.4	-172.2	178.9	-177.3	0	110.4	K222 K223 Y224	K220-K222 VanDerWaalsContact C-N 3.28Å; K220-K222 PolarHBondContact O-N 2.95Å; K220-K222 VanDerWaalsContact O-N 3.16Å; K220-K223 WeakPolarHBondContact O-CB 3.35Å; K220-K223 PolarHBondContact O-N 3.06Å; K220-Y224 PolarHBondContact O-N 3.5Å; K220-Y224 VanDerWaalsContact O-N 3.17Å
221	T	84	Confident	86.2	Confident	63 Å²	63	84.3 Å²	84.3	39%	0.387	43%	0.433	S	S	.	.	H	α-helix	trans	-51.3	-42.8	-177.8	-41.5	0	0	0	0	113	V213 S215 M219 K223 Y224 L225	V213-T221 HydrophobicContact CG1-CG2 4.37Å; S215-T221 PolarHBondContact OG-OG1 3.28Å; M219-T221 PolarHBondContact O-N 3.48Å; T221-K223 VanDerWaalsContact C-N 3.29Å; T221-K223 PolarHBondContact O-N 3.22Å; T221-Y224 PolarHBondContact O-N 3.46Å; T221-L225 HydrophobicContact CG2-CD1 4.03Å; T221-L225 HydrophobicContact CG2-CG 4.24Å; T221-L225 WeakPolarHBondContact O-CB 3.49Å; T221-L225 VanDerWaalsContact O-CG 3.28Å; T221-L225 WeakPolarHBondContact O-CG 3.38Å; T221-L225 PolarHBondContact O-N 3.14Å
222	K	85.3	Confident	86.1	Confident	181 Å²	181	87 Å²	87	79%	0.787	44%	0.442	S	S	*	.	H	α-helix	trans	-60	-34.3	177.2	-69.3	-173.4	179.4	-178.7	0	113.8	K220 K226	K220-K222 VanDerWaalsContact C-N 3.28Å; K220-K222 PolarHBondContact O-N 2.95Å; K220-K222 VanDerWaalsContact O-N 3.16Å; K222-K226 WeakPolarHBondContact O-CG 3.25Å
223	K	86.2	Confident	85.9	Confident	120 Å²	120	95 Å²	95	52%	0.522	48%	0.48	S	S	.	.	H	α-helix	trans	-77.4	-39.9	179.6	-170.8	178.9	-179.6	-178.5	0	110.7	K220 T221 K226	K220-K223 WeakPolarHBondContact O-CB 3.35Å; K220-K223 PolarHBondContact O-N 3.06Å; T221-K223 VanDerWaalsContact C-N 3.29Å; T221-K223 PolarHBondContact O-N 3.22Å; K223-K226 PolarHBondContact O-N 3.41Å
224	Y	87.7	Confident	85.9	Confident	25 Å²	25	98.8 Å²	98.8	10%	0.098	50%	0.503	C	S	.	.	H	α-helix	trans	-59.9	-51.7	174.2	174.7	-114	0	0	0	111.4	E214 P216 M219 K220 T221 K226 R227 C228 C238	E214-Y224 VanDerWaalsContact O-CE1 3.29Å; E214-Y224 WeakPolarHBondContact O-CE1 3.11Å; P216-Y224 HydrophobicContact CG-CD2 4.19Å; P216-Y224 HydrophobicContact CG-CE2 4.04Å; M219-Y224 HydrophobicContact SD-CD2 4.26Å; K220-Y224 PolarHBondContact O-N 3.5Å; K220-Y224 VanDerWaalsContact O-N 3.17Å; T221-Y224 PolarHBondContact O-N 3.46Å; Y224-K226 PolarHBondContact O-N 3.16Å; Y224-K226 VanDerWaalsContact O-N 3.07Å; Y224-R227 PolarHBondContact O-N 3.28Å; Y224-C228 HydrophobicContact CD1-CB 4.5Å; Y224-C228 HydrophobicContact CD2-CB 3.85Å; Y224-C228 HydrophobicContact CE1-CB 4.2Å; Y224-C228 HydrophobicContact CE2-CB 3.47Å; Y224-C228 VanDerWaalsContact CE2-CB 3.47Å; Y224-C228 HydrophobicContact CG-CB 4.35Å; Y224-C228 WeakPolarHBondContact O-CB 3.35Å; Y224-C228 PolarHBondContact O-N 3.23Å; Y224-C238 WeakPolarHBondContact OH-CB 3.29Å; Y224-C238 PolarHBondContact OH-N 3.31Å
225	L	88.3	Confident	86.2	Confident	43 Å²	43	94.6 Å²	94.6	23%	0.225	49%	0.487	C	S	.	.	H	α-helix	trans	-60.3	-22.2	-178.7	-72.5	179	0	0	0	114.8	F196 V213 T221 P239 N240	F196-L225 HydrophobicContact CE2-CD2 4.22Å; V213-L225 HydrophobicContact CG1-CD1 4.36Å; V213-L225 HydrophobicContact CG1-CD2 3.8Å; V213-L225 HydrophobicContact CG1-CG 4.47Å; T221-L225 HydrophobicContact CG2-CD1 4.03Å; T221-L225 HydrophobicContact CG2-CG 4.24Å; T221-L225 WeakPolarHBondContact O-CB 3.49Å; T221-L225 VanDerWaalsContact O-CG 3.28Å; T221-L225 WeakPolarHBondContact O-CG 3.38Å; T221-L225 PolarHBondContact O-N 3.14Å; L225-P239 HydrophobicContact CD2-CG 3.49Å; L225-P239 VanDerWaalsContact CD2-CG 3.49Å; L225-N240 PolarHBondContact O-ND2 3.42Å
226	K	85.8	Confident	86.8	Confident	184 Å²	184	94.1 Å²	94.1	80%	0.8	48%	0.483	S	S	*	.	H	α-helix	trans	-80.9	-21.9	177.5	-75.9	-177.8	178.7	-167.7	0	113.6	K222 K223 Y224	K222-K226 WeakPolarHBondContact O-CG 3.25Å; K223-K226 PolarHBondContact O-N 3.41Å; Y224-K226 PolarHBondContact O-N 3.16Å; Y224-K226 VanDerWaalsContact O-N 3.07Å
227	R	87.8	Confident	87.3	Confident	189 Å²	189	93.4 Å²	93.4	71%	0.713	47%	0.473	S	S	*	.	H	α-helix	trans	-122	-20.5	-170.5	-66.3	-176.3	177.7	-173.5	-3.5	113.7	Y224	Y224-R227 PolarHBondContact O-N 3.28Å
228	C	91.8	Very high	88.1	Confident	13 Å²	13	86.9 Å²	86.9	9%	0.088	43%	0.431	C	S	.	.			trans	-69.2	143.6	-177.5	84.3	0	0	0	0	110.2	Y224 C238 N240	Y224-C228 HydrophobicContact CD1-CB 4.5Å; Y224-C228 HydrophobicContact CD2-CB 3.85Å; Y224-C228 HydrophobicContact CE1-CB 4.2Å; Y224-C228 HydrophobicContact CE2-CB 3.47Å; Y224-C228 VanDerWaalsContact CE2-CB 3.47Å; Y224-C228 HydrophobicContact CG-CB 4.35Å; Y224-C228 WeakPolarHBondContact O-CB 3.35Å; Y224-C228 PolarHBondContact O-N 3.23Å; C228-C238 HydrophobicContact CB-CB 3.74Å; C228-C238 WeakPolarHBondContact CB-SG 3.09Å; C228-C238 PolarHBondContact O-SG 2.95Å; C228-C238 WeakPolarHBondContact SG-CB 3.09Å; C228-C238 CovalentContact SG-SG 2.05Å; C228-C238 PolarHBondContact SG-SG 3.42Å; C228-N240 WeakPolarHBondContact O-CB 3.13Å; C228-N240 PolarHBondContact O-ND2 2.96Å
229	H	93.1	Very high	88.9	Confident	79 Å²	79	82.3 Å²	82.3	37%	0.366	38%	0.384	S	S	.	.			trans	-122.4	141.1	163.1	-67.7	-63.6	0	0	0	107.7	H231 C238 R242	H229-H231 PolarHBondContact O-N 2.89Å; H229-C238 PolarHBondContact N-SG 3.24Å; H229-C238 VanDerWaalsContact N-SG 3.41Å; H229-R242 PolarHBondContact CD2-NH2 2.85Å; H229-R242 VanDerWaalsContact CD2-NH2 3.3Å; H229-R242 PolarHBondContact CE1-NE 3.31Å; H229-R242 PolarHBondContact NE2-NH2 3.45Å
230	Y	94.5	Very high	89.6	Confident	16 Å²	16	78.7 Å²	78.7	6%	0.063	37%	0.366	C	S	.	.			trans	-60.5	135.7	177.8	177.3	-97.3	0	0	0	111.2	P236 C238 N240 F241 Y245 Y285	Y230-P236 WeakPolarHBondContact CE2-O 3.36Å; Y230-C238 WeakPolarHBondContact CD2-O 2.97Å; Y230-N240 PolarHBondContact N-O 2.99Å; Y230-F241 AromaticContact CD1-CD1 3.57Å; Y230-F241 HydrophobicContact CD1-CD1 3.57Å; Y230-F241 AromaticContact CD1-CE1 3.26Å; Y230-F241 HydrophobicContact CD1-CE1 3.26Å; Y230-F241 HydrophobicContact CD1-CZ 4.28Å; Y230-F241 HydrophobicContact CD2-CD1 4.35Å; Y230-F241 AromaticContact CD2-CE1 3.47Å; Y230-F241 HydrophobicContact CD2-CE1 3.47Å; Y230-F241 VanDerWaalsContact CD2-CE1 3.47Å; Y230-F241 AromaticContact CD2-CZ 3.66Å; Y230-F241 HydrophobicContact CD2-CZ 3.66Å; Y230-F241 HydrophobicContact CE1-CD1 4.36Å; Y230-F241 AromaticContact CE1-CE1 3.75Å; Y230-F241 HydrophobicContact CE1-CE1 3.75Å; Y230-F241 AromaticContact CE2-CE1 3.94Å; Y230-F241 HydrophobicContact CE2-CE1 3.94Å; Y230-F241 HydrophobicContact CE2-CZ 4.18Å; Y230-F241 AromaticContact CG-CD1 3.56Å; Y230-F241 HydrophobicContact CG-CD1 3.56Å; Y230-F241 AromaticContact CG-CE1 3.09Å; Y230-F241 HydrophobicContact CG-CE1 3.09Å; Y230-F241 AromaticContact CG-CZ 3.71Å; Y230-F241 HydrophobicContact CG-CZ 3.71Å; Y230-Y245 AromaticContact CD1-CE1 3.69Å; Y230-Y245 HydrophobicContact CD1-CE1 3.69Å; Y230-Y245 AromaticContact CE1-CE1 3.97Å; Y230-Y245 HydrophobicContact CE1-CE1 3.97Å; Y230-Y285 HydrophobicContact CD2-CD2 4.29Å; Y230-Y285 HydrophobicContact CD2-CE2 4.35Å; Y230-Y285 AromaticContact CE2-CD2 3.35Å; Y230-Y285 HydrophobicContact CE2-CD2 3.35Å; Y230-Y285 AromaticContact CE2-CE2 3.68Å; Y230-Y285 HydrophobicContact CE2-CE2 3.68Å; Y230-Y285 HydrophobicContact CE2-CG 4.19Å; Y230-Y285 AromaticContact CZ-CD2 3.5Å; Y230-Y285 VanDerWaalsContact CZ-CD2 3.5Å; Y230-Y285 WeakPolarHBondContact OH-CD2 3.28Å
231	H	91.8	Very high	90.1	Very high	82 Å²	82	70.2 Å²	70.2	38%	0.38	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-149.7	140.2	168.2	-169.4	-73.3	0	0	0	108.5	H229 E233 T234 A235	H229-H231 PolarHBondContact O-N 2.89Å; H231-E233 PolarHBondContact ND1-N 2.89Å; H231-E233 PolarHBondContact O-N 3.23Å; H231-T234 VanDerWaalsContact CB-OG1 3.23Å; H231-T234 WeakPolarHBondContact CB-OG1 3.36Å; H231-T234 VanDerWaalsContact CG-OG1 3.32Å; H231-T234 PolarHBondContact ND1-OG1 2.8Å; H231-A235 PolarHBondContact N-O 3.05Å; H231-A235 CarbonylContact O-C 3.5Å; H231-A235 PolarHBondContact O-N 2.84Å; H231-A235 VanDerWaalsContact O-N 3.14Å
232	E	89.6	Confident	90.6	Very high	106 Å²	106	72.4 Å²	72.4	50%	0.495	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-45.1	-171	-168.7	166.6	179.8	0	0	113	K249	E232-K249 IonicContact OE2-NZ 3.78Å; E232-K249 PolarHBondContact OE2-NZ 3.31Å
233	E	88.2	Confident	91.1	Very high	168 Å²	168	63.9 Å²	63.9	79%	0.785	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-48.3	-178.9	-62.1	177.5	-178	0	0	113.8	H231	H231-E233 PolarHBondContact ND1-N 2.89Å; H231-E233 PolarHBondContact O-N 3.23Å
234	T	88.6	Confident	91.5	Very high	113 Å²	113	58.9 Å²	58.9	69%	0.693	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-28	-170.1	59.1	0	0	0	0	113.9	H231	H231-T234 VanDerWaalsContact CB-OG1 3.23Å; H231-T234 WeakPolarHBondContact CB-OG1 3.36Å; H231-T234 VanDerWaalsContact CG-OG1 3.32Å; H231-T234 PolarHBondContact ND1-OG1 2.8Å
235	A	89.6	Confident	91.9	Very high	18 Å²	18	60 Å²	60	15%	0.149	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-149	61.7	-175.1	0	0	0	0	0	113.1	H231 Y237 C238	H231-A235 PolarHBondContact N-O 3.05Å; H231-A235 CarbonylContact O-C 3.5Å; H231-A235 PolarHBondContact O-N 2.84Å; H231-A235 VanDerWaalsContact O-N 3.14Å; A235-Y237 VanDerWaalsContact C-N 3.26Å; A235-Y237 PolarHBondContact O-N 3.04Å; A235-C238 HydrophobicContact CB-CB 4.23Å; A235-C238 PolarHBondContact O-N 2.86Å
236	P	89.6	Confident	92.3	Very high	23 Å²	23	58 Å²	58	15%	0.149	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.3	-175.9	25.4	-34.6	0	0	0	114	Y230	Y230-P236 WeakPolarHBondContact CE2-O 3.36Å
237	Y	89.9	Confident	92.7	Very high	41 Å²	41	49.4 Å²	49.4	16%	0.161	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	7.9	178.9	-65.5	-78.6	0	0	0	114	N212 E214 A235 P239 S279 K282	N212-Y237 CarbonylContact O-C 3.54Å; N212-Y237 WeakPolarHBondContact O-CA 3.5Å; E214-Y237 HydrophobicContact CB-CD1 3.88Å; E214-Y237 HydrophobicContact CB-CD2 4.47Å; E214-Y237 HydrophobicContact CB-CE1 4.45Å; E214-Y237 HydrophobicContact CB-CG 3.88Å; A235-Y237 VanDerWaalsContact C-N 3.26Å; A235-Y237 PolarHBondContact O-N 3.04Å; Y237-P239 WeakPolarHBondContact O-CD 3.4Å; Y237-S279 PolarHBondContact OH-O 2.8Å; Y237-K282 HydrophobicContact CE1-CB 4.18Å; Y237-K282 HydrophobicContact CE2-CB 4.41Å; Y237-K282 WeakPolarHBondContact OH-CB 3.46Å
238	C	93.5	Very high	93.1	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.			trans	-81.4	121.6	174.6	178.6	0	0	0	0	110.4	Y224 C228 H229 Y230 A235 N240	Y224-C238 WeakPolarHBondContact OH-CB 3.29Å; Y224-C238 PolarHBondContact OH-N 3.31Å; C228-C238 HydrophobicContact CB-CB 3.74Å; C228-C238 WeakPolarHBondContact CB-SG 3.09Å; C228-C238 PolarHBondContact O-SG 2.95Å; C228-C238 WeakPolarHBondContact SG-CB 3.09Å; C228-C238 CovalentContact SG-SG 2.05Å; C228-C238 PolarHBondContact SG-SG 3.42Å; H229-C238 PolarHBondContact N-SG 3.24Å; H229-C238 VanDerWaalsContact N-SG 3.41Å; Y230-C238 WeakPolarHBondContact CD2-O 2.97Å; A235-C238 HydrophobicContact CB-CB 4.23Å; A235-C238 PolarHBondContact O-N 2.86Å; C238-N240 VanDerWaalsContact C-N 3.29Å; C238-N240 PolarHBondContact O-N 2.81Å
239	P	94.6	Very high	93.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.			trans	-81.8	0.1	-178.6	33.3	-38	0	0	0	114.5	F196 I197 V213 L225 Y237 F241	F196-P239 CarbonylContact C-O 3.57Å; F196-P239 WeakPolarHBondContact CA-O 3.39Å; F196-P239 HydrophobicContact CD2-CB 3.95Å; F196-P239 HydrophobicContact CD2-CG 3.73Å; F196-P239 HydrophobicContact CE2-CB 3.84Å; F196-P239 HydrophobicContact CE2-CG 3.38Å; F196-P239 HydrophobicContact CZ-CG 4.36Å; I197-P239 PolarHBondContact N-O 2.93Å; I197-P239 WeakPolarHBondContact O-CB 3.47Å; V213-P239 HydrophobicContact CG2-CB 3.99Å; V213-P239 HydrophobicContact CG2-CG 3.87Å; L225-P239 HydrophobicContact CD2-CG 3.49Å; L225-P239 VanDerWaalsContact CD2-CG 3.49Å; Y237-P239 WeakPolarHBondContact O-CD 3.4Å; P239-F241 VanDerWaalsContact O-CD2 3.25Å; P239-F241 WeakPolarHBondContact O-CD2 3.35Å; P239-F241 WeakPolarHBondContact O-CE2 3.11Å
240	N	95.4	Very high	93.3	Very high	9 Å²	9	46.5 Å²	46.5	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	110.3	-176.8	-63.6	-38.2	0	0	0	111.2	F196 L225 C228 Y230 C238	F196-N240 WeakPolarHBondContact CD2-OD1 3.38Å; L225-N240 PolarHBondContact O-ND2 3.42Å; C228-N240 WeakPolarHBondContact O-CB 3.13Å; C228-N240 PolarHBondContact O-ND2 2.96Å; Y230-N240 PolarHBondContact N-O 2.99Å; C238-N240 VanDerWaalsContact C-N 3.29Å; C238-N240 PolarHBondContact O-N 2.81Å
241	F	96.4	Very high	93.2	Very high	1 Å²	1	55.9 Å²	55.9	0%	0.004	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	132.5	179.9	-60.1	-96.2	0	0	0	110.3	T194 V195 I197 Y230 P239 I246 Y285 F287	T194-F241 CarbonylContact C-O 3.58Å; T194-F241 VanDerWaalsContact CA-O 3.23Å; T194-F241 WeakPolarHBondContact CA-O 3.03Å; V195-F241 PolarHBondContact N-O 2.89Å; V195-F241 PolarHBondContact O-N 2.87Å; I197-F241 HydrophobicContact CB-CD2 4.34Å; I197-F241 HydrophobicContact CB-CE2 4.09Å; I197-F241 HydrophobicContact CD1-CD2 3.8Å; I197-F241 HydrophobicContact CD1-CE2 4.01Å; I197-F241 HydrophobicContact CG1-CD2 4.01Å; I197-F241 HydrophobicContact CG1-CE2 4.23Å; Y230-F241 AromaticContact CD1-CD1 3.57Å; Y230-F241 HydrophobicContact CD1-CD1 3.57Å; Y230-F241 AromaticContact CD1-CE1 3.26Å; Y230-F241 HydrophobicContact CD1-CE1 3.26Å; Y230-F241 HydrophobicContact CD1-CZ 4.28Å; Y230-F241 HydrophobicContact CD2-CD1 4.35Å; Y230-F241 AromaticContact CD2-CE1 3.47Å; Y230-F241 HydrophobicContact CD2-CE1 3.47Å; Y230-F241 VanDerWaalsContact CD2-CE1 3.47Å; Y230-F241 AromaticContact CD2-CZ 3.66Å; Y230-F241 HydrophobicContact CD2-CZ 3.66Å; Y230-F241 HydrophobicContact CE1-CD1 4.36Å; Y230-F241 AromaticContact CE1-CE1 3.75Å; Y230-F241 HydrophobicContact CE1-CE1 3.75Å; Y230-F241 AromaticContact CE2-CE1 3.94Å; Y230-F241 HydrophobicContact CE2-CE1 3.94Å; Y230-F241 HydrophobicContact CE2-CZ 4.18Å; Y230-F241 AromaticContact CG-CD1 3.56Å; Y230-F241 HydrophobicContact CG-CD1 3.56Å; Y230-F241 AromaticContact CG-CE1 3.09Å; Y230-F241 HydrophobicContact CG-CE1 3.09Å; Y230-F241 AromaticContact CG-CZ 3.71Å; Y230-F241 HydrophobicContact CG-CZ 3.71Å; P239-F241 VanDerWaalsContact O-CD2 3.25Å; P239-F241 WeakPolarHBondContact O-CD2 3.35Å; P239-F241 WeakPolarHBondContact O-CE2 3.11Å; F241-I246 HydrophobicContact CB-CD1 3.8Å; F241-I246 HydrophobicContact CB-CG1 4.06Å; F241-Y285 HydrophobicContact CE1-CD1 4.03Å; F241-Y285 HydrophobicContact CE1-CD2 4.39Å; F241-Y285 HydrophobicContact CE1-CE1 4.34Å; F241-Y285 HydrophobicContact CE1-CG 4.05Å; F241-Y285 HydrophobicContact CE2-CE1 4.24Å; F241-Y285 AromaticContact CZ-CD1 3.7Å; F241-Y285 HydrophobicContact CZ-CD1 3.7Å; F241-Y285 HydrophobicContact CZ-CD2 4.18Å; F241-Y285 AromaticContact CZ-CE1 3.55Å; F241-Y285 HydrophobicContact CZ-CE1 3.55Å; F241-Y285 HydrophobicContact CZ-CE2 4.03Å; F241-Y285 HydrophobicContact CZ-CG 4.01Å; F241-Y285 AromaticContact CZ-CZ 3.74Å; F241-F287 HydrophobicContact CD1-CE1 4.41Å; F241-F287 AromaticContact CD1-CZ 3.78Å; F241-F287 HydrophobicContact CD1-CZ 3.78Å; F241-F287 AromaticContact CE1-CZ 3.88Å; F241-F287 HydrophobicContact CE1-CZ 3.88Å
242	R	95.9	Very high	93.2	Very high	109 Å²	109	52.6 Å²	52.6	41%	0.411	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	137.3	171.6	-66.2	-177.6	-177.7	-173.9	-1.7	109.7	F193 T194 H229 G244 Y245 I246	F193-R242 CarbonylContact O-C 3.54Å; F193-R242 WeakPolarHBondContact O-CA 3.44Å; T194-R242 HydrophobicContact CG2-CG 4.3Å; H229-R242 PolarHBondContact CD2-NH2 2.85Å; H229-R242 VanDerWaalsContact CD2-NH2 3.3Å; H229-R242 PolarHBondContact CE1-NE 3.31Å; H229-R242 PolarHBondContact NE2-NH2 3.45Å; R242-G244 VanDerWaalsContact C-N 3.27Å; R242-G244 PolarHBondContact O-N 2.78Å; R242-Y245 WeakPolarHBondContact O-CA 3.49Å; R242-Y245 WeakPolarHBondContact O-CB 3.45Å; R242-Y245 PolarHBondContact O-N 3.15Å; R242-I246 PolarHBondContact O-N 3.4Å
243	L	95.4	Very high	93.3	Very high	2 Å²	2	52 Å²	52	1%	0.01	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-40.6	177.3	-78.6	-176.9	0	0	0	111.9	A108 F193 V195 Y245 I246 A247 F254 L327	A108-L243 HydrophobicContact CB-CD1 4.04Å; F193-L243 HydrophobicContact CB-CD1 3.92Å; F193-L243 HydrophobicContact CB-CG 4.32Å; F193-L243 HydrophobicContact CD2-CD1 4.48Å; F193-L243 PolarHBondContact O-N 3.15Å; V195-L243 HydrophobicContact CG2-CD2 3.38Å; V195-L243 HydrophobicContact CG2-CG 3.93Å; L243-Y245 VanDerWaalsContact C-N 3.28Å; L243-Y245 PolarHBondContact O-N 3.28Å; L243-I246 HydrophobicContact CD2-CD1 4.49Å; L243-I246 PolarHBondContact O-N 2.98Å; L243-A247 PolarHBondContact O-N 3.3Å; L243-F254 HydrophobicContact CB-CE2 4.05Å; L243-L327 HydrophobicContact CD2-CD1 4.04Å
244	G	94.9	Very high	93.5	Very high	16 Å²	16	44.7 Å²	44.7	17%	0.165	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-33.7	173.7	0	0	0	0	0	113.9	I191 R242 N248	I191-G244 PolarHBondContact O-N 3.29Å; R242-G244 VanDerWaalsContact C-N 3.27Å; R242-G244 PolarHBondContact O-N 2.78Å; G244-N248 VanDerWaalsContact O-CB 3.27Å; G244-N248 WeakPolarHBondContact O-CB 3.46Å; G244-N248 PolarHBondContact O-N 3.36Å
245	Y	95.4	Very high	93.6	Very high	49 Å²	49	43.1 Å²	43.1	19%	0.192	21%	0.207	C	C	.	.	H	α-helix	trans	-68.5	-43.7	175.2	177.3	-90.8	0	0	0	111.3	Y230 R242 L243 N248 K249 F287	Y230-Y245 AromaticContact CD1-CE1 3.69Å; Y230-Y245 HydrophobicContact CD1-CE1 3.69Å; Y230-Y245 AromaticContact CE1-CE1 3.97Å; Y230-Y245 HydrophobicContact CE1-CE1 3.97Å; R242-Y245 WeakPolarHBondContact O-CA 3.49Å; R242-Y245 WeakPolarHBondContact O-CB 3.45Å; R242-Y245 PolarHBondContact O-N 3.15Å; L243-Y245 VanDerWaalsContact C-N 3.28Å; L243-Y245 PolarHBondContact O-N 3.28Å; Y245-N248 PolarHBondContact O-N 3.36Å; Y245-K249 HydrophobicContact CD1-CG 4.25Å; Y245-K249 HydrophobicContact CE1-CG 3.83Å; Y245-K249 HydrophobicContact CE2-CG 4.15Å; Y245-K249 WeakPolarHBondContact O-CB 3.49Å; Y245-K249 WeakPolarHBondContact O-CG 3.17Å; Y245-K249 PolarHBondContact O-N 3.45Å; Y245-K249 VanDerWaalsContact OH-CE 3.28Å; Y245-K249 WeakPolarHBondContact OH-CE 3.38Å; Y245-F287 AromaticContact CE1-CE2 3.99Å; Y245-F287 HydrophobicContact CE1-CE2 3.99Å; Y245-F287 HydrophobicContact CE1-CZ 4.44Å
246	I	96.5	Very high	93.5	Very high	1 Å²	1	47 Å²	47	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-59.6	-50.7	176.5	-65.6	175.3	0	0	0	110.3	V195 F241 R242 L243 N248 K249 A250 I264 F287 L327	V195-I246 HydrophobicContact CG2-CD1 4.2Å; F241-I246 HydrophobicContact CB-CD1 3.8Å; F241-I246 HydrophobicContact CB-CG1 4.06Å; R242-I246 PolarHBondContact O-N 3.4Å; L243-I246 HydrophobicContact CD2-CD1 4.49Å; L243-I246 PolarHBondContact O-N 2.98Å; I246-N248 PolarHBondContact O-N 3.49Å; I246-K249 PolarHBondContact O-N 3.41Å; I246-A250 WeakPolarHBondContact O-CB 3.44Å; I246-A250 PolarHBondContact O-N 3.46Å; I246-I264 HydrophobicContact CG2-CD1 4.32Å; I246-I264 HydrophobicContact CG2-CG2 3.87Å; I246-F287 HydrophobicContact CB-CD1 4.28Å; I246-F287 HydrophobicContact CB-CE1 4.41Å; I246-F287 HydrophobicContact CD1-CE1 4.34Å; I246-F287 HydrophobicContact CG1-CD1 4.11Å; I246-F287 HydrophobicContact CG1-CE1 3.74Å; I246-F287 HydrophobicContact CG1-CZ 4.36Å; I246-F287 HydrophobicContact CG2-CD1 3.76Å; I246-F287 HydrophobicContact CG2-CE1 4.26Å; I246-F287 HydrophobicContact CG2-CG 4.46Å; I246-L327 HydrophobicContact CD1-CD1 4.23Å; I246-L327 HydrophobicContact CG2-CD2 4.16Å
247	A	94.8	Very high	93.6	Very high	2 Å²	2	45.9 Å²	45.9	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-60.5	-44.5	179.5	0	0	0	0	0	112.1	L243 A250 R251 E252 F254 L257	L243-A247 PolarHBondContact O-N 3.3Å; A247-A250 CarbonylContact O-C 3.49Å; A247-A250 PolarHBondContact O-N 3.14Å; A247-R251 PolarHBondContact O-N 3.13Å; A247-E252 PolarHBondContact O-N 2.88Å; A247-F254 HydrophobicContact CB-CD2 3.92Å; A247-L257 HydrophobicContact CB-CD1 3.88Å
248	N	95.4	Very high	93.6	Very high	118 Å²	118	44 Å²	44	63%	0.631	21%	0.208	S	C	*	.	H	α-helix	trans	-64.4	-44	178.3	-172.6	29.2	0	0	0	112.2	G244 Y245 I246 A250 R251	G244-N248 VanDerWaalsContact O-CB 3.27Å; G244-N248 WeakPolarHBondContact O-CB 3.46Å; G244-N248 PolarHBondContact O-N 3.36Å; Y245-N248 PolarHBondContact O-N 3.36Å; I246-N248 PolarHBondContact O-N 3.49Å; N248-A250 VanDerWaalsContact C-N 3.27Å; N248-A250 PolarHBondContact O-N 3.25Å; N248-R251 WeakPolarHBondContact O-CA 3.46Å; N248-R251 PolarHBondContact O-N 3.17Å
249	K	95.2	Very high	93.3	Very high	92 Å²	92	52 Å²	52	40%	0.4	24%	0.238	S	C	.	.	H	α-helix	trans	-66	-30.1	176.5	-76.7	-76.1	-178	159.1	0	112.5	E232 Y245 I246 R251 F287	E232-K249 IonicContact OE2-NZ 3.78Å; E232-K249 PolarHBondContact OE2-NZ 3.31Å; Y245-K249 HydrophobicContact CD1-CG 4.25Å; Y245-K249 HydrophobicContact CE1-CG 3.83Å; Y245-K249 HydrophobicContact CE2-CG 4.15Å; Y245-K249 WeakPolarHBondContact O-CB 3.49Å; Y245-K249 WeakPolarHBondContact O-CG 3.17Å; Y245-K249 PolarHBondContact O-N 3.45Å; Y245-K249 VanDerWaalsContact OH-CE 3.28Å; Y245-K249 WeakPolarHBondContact OH-CE 3.38Å; I246-K249 PolarHBondContact O-N 3.41Å; K249-R251 PolarHBondContact O-N 3.06Å; K249-F287 HydrophobicContact CB-CB 4.14Å; K249-F287 HydrophobicContact CB-CD2 3.66Å; K249-F287 HydrophobicContact CB-CE2 4.48Å; K249-F287 HydrophobicContact CB-CG 4.18Å; K249-F287 HydrophobicContact CG-CD2 4.27Å
250	A	94.1	Very high	93	Very high	10 Å²	10	54.2 Å²	54.2	8%	0.083	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-1.6	170.5	0	0	0	0	0	113.9	I246 A247 N248 E252 I264 F287	I246-A250 WeakPolarHBondContact O-CB 3.44Å; I246-A250 PolarHBondContact O-N 3.46Å; A247-A250 CarbonylContact O-C 3.49Å; A247-A250 PolarHBondContact O-N 3.14Å; N248-A250 VanDerWaalsContact C-N 3.27Å; N248-A250 PolarHBondContact O-N 3.25Å; A250-E252 HydrophobicContact CB-CG 4.08Å; A250-I264 HydrophobicContact CB-CD1 4.42Å; A250-I264 HydrophobicContact CB-CG2 4.07Å; A250-F287 HydrophobicContact CB-CB 4.26Å
251	R	93.4	Very high	92.8	Very high	214 Å²	214	53.8 Å²	53.8	81%	0.808	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	41.4	-175.8	-51	-179.2	-175.3	-169.9	0.6	112.9	A247 N248 K249 R293	A247-R251 PolarHBondContact O-N 3.13Å; N248-R251 WeakPolarHBondContact O-CA 3.46Å; N248-R251 PolarHBondContact O-N 3.17Å; K249-R251 PolarHBondContact O-N 3.06Å; R251-R293 PolarHBondContact O-NH1 3.06Å; R251-R293 PolarHBondContact O-NH2 2.98Å
252	E	91.1	Very high	92.6	Very high	13 Å²	13	53.8 Å²	53.8	6%	0.061	25%	0.249	C	C	.	.			trans	-113.7	146.8	177.7	-59.7	-60.5	144.3	0	0	111.6	A247 A250 L257 R289 R293	A247-E252 PolarHBondContact O-N 2.88Å; A250-E252 HydrophobicContact CB-CG 4.08Å; E252-L257 HydrophobicContact CB-CD1 3.68Å; E252-L257 HydrophobicContact CB-CG 4.2Å; E252-L257 HydrophobicContact CG-CD1 4.31Å; E252-R289 HydrophobicContact CG-CB 4.49Å; E252-R289 WeakPolarHBondContact OE1-CB 3.39Å; E252-R289 WeakPolarHBondContact OE1-CD 3.39Å; E252-R289 WeakPolarHBondContact OE2-CD 3.35Å; E252-R289 IonicContact OE2-CZ 3.79Å; E252-R289 IonicContact OE2-NH1 3.11Å; E252-R289 PolarHBondContact OE2-NH1 3.07Å; E252-R293 IonicContact OE1-CZ 3.18Å; E252-R293 IonicContact OE1-NE 2.97Å; E252-R293 PolarHBondContact OE1-NE 2.89Å; E252-R293 IonicContact OE1-NH1 2.65Å; E252-R293 PolarHBondContact OE1-NH1 3.26Å; E252-R293 IonicContact OE1-NH2 2.7Å; E252-R293 PolarHBondContact OE1-NH2 3.11Å; E252-R293 IonicContact OE2-CZ 3.75Å; E252-R293 IonicContact OE2-NE 2.98Å; E252-R293 PolarHBondContact OE2-NE 3.02Å; E252-R293 VanDerWaalsContact OE2-NE 3.11Å; E252-R293 IonicContact OE2-NH2 3.06Å; E252-R293 PolarHBondContact OE2-NH2 2.85Å
253	N	91.3	Very high	92.5	Very high	94 Å²	94	49.5 Å²	49.5	50%	0.503	24%	0.235	S	C	.	.			trans	-84.4	121.2	169	-171	-18.1	0	0	0	109.7	T255 E256 L257	N253-T255 VanDerWaalsContact C-N 3.25Å; N253-T255 PolarHBondContact O-N 3.36Å; N253-T255 PolarHBondContact OD1-N 2.74Å; N253-T255 VanDerWaalsContact OD1-N 3.09Å; N253-E256 HydrophobicContact CB-CB 4.25Å; N253-E256 PolarHBondContact O-N 2.88Å; N253-E256 VanDerWaalsContact O-N 3.16Å; N253-L257 PolarHBondContact O-N 2.94Å; N253-L257 VanDerWaalsContact O-N 3.14Å
254	F	91.9	Very high	92.5	Very high	13 Å²	13	49.4 Å²	49.4	6%	0.057	24%	0.235	C	C	.	.	H	α-helix	trans	-59.3	-36.1	-179.2	-165.1	-97.9	0	0	0	112.5	L110 A190 I191 L243 A247 E256 L257 C258 I325	L110-F254 HydrophobicContact CD1-CZ 4.21Å; L110-F254 HydrophobicContact CD2-CZ 4.1Å; A190-F254 HydrophobicContact CB-CE1 4.34Å; A190-F254 HydrophobicContact CB-CZ 4.01Å; I191-F254 HydrophobicContact CB-CD1 3.81Å; I191-F254 HydrophobicContact CB-CE1 3.74Å; I191-F254 HydrophobicContact CB-CG 4.31Å; I191-F254 HydrophobicContact CB-CZ 4.2Å; I191-F254 HydrophobicContact CD1-CB 4.28Å; I191-F254 HydrophobicContact CD1-CD1 4.3Å; I191-F254 HydrophobicContact CD1-CG 4.29Å; I191-F254 HydrophobicContact CG1-CD1 4.06Å; I191-F254 HydrophobicContact CG1-CD2 4.43Å; I191-F254 HydrophobicContact CG1-CE1 4.4Å; I191-F254 HydrophobicContact CG1-CG 4.08Å; L243-F254 HydrophobicContact CB-CE2 4.05Å; A247-F254 HydrophobicContact CB-CD2 3.92Å; F254-E256 VanDerWaalsContact C-N 3.32Å; F254-E256 PolarHBondContact O-N 2.82Å; F254-L257 PolarHBondContact O-N 3.09Å; F254-C258 WeakPolarHBondContact CE1-SG 3.35Å; F254-C258 PolarHBondContact O-N 2.84Å; F254-C258 PolarHBondContact O-SG 2.86Å; F254-I325 HydrophobicContact CD2-CD1 4.22Å; F254-I325 HydrophobicContact CE2-CD1 3.75Å
255	T	90.8	Very high	92.6	Very high	80 Å²	80	48.7 Å²	48.7	49%	0.491	23%	0.227	S	C	.	.	H	α-helix	trans	-65	-35.9	179	-54.3	0	0	0	0	112.4	N253 C258 R259	N253-T255 VanDerWaalsContact C-N 3.25Å; N253-T255 PolarHBondContact O-N 3.36Å; N253-T255 PolarHBondContact OD1-N 2.74Å; N253-T255 VanDerWaalsContact OD1-N 3.09Å; T255-C258 PolarHBondContact O-N 2.05Å; T255-R259 PolarHBondContact O-N 3.27Å
256	E	88.8	Confident	92.7	Very high	99 Å²	99	46.3 Å²	46.3	46%	0.463	22%	0.218	S	C	.	.	H	α-helix	trans	-70.4	-44.2	176.4	-169.3	-179.2	168.3	0	0	110.6	N253 F254 C258 R259 T260	N253-E256 HydrophobicContact CB-CB 4.25Å; N253-E256 PolarHBondContact O-N 2.88Å; N253-E256 VanDerWaalsContact O-N 3.16Å; F254-E256 VanDerWaalsContact C-N 3.32Å; F254-E256 PolarHBondContact O-N 2.82Å; E256-C258 PolarHBondContact O-N 3.36Å; E256-R259 WeakPolarHBondContact O-CB 3.13Å; E256-R259 PolarHBondContact O-N 3.2Å; E256-T260 PolarHBondContact O-N 2.83Å; E256-T260 PolarHBondContact O-OG1 2.95Å
257	L	90.4	Very high	92.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-58	-35.1	173.4	-69.4	173	0	0	0	112.5	A247 E252 N253 F254 R259 G261 I264 I325	A247-L257 HydrophobicContact CB-CD1 3.88Å; E252-L257 HydrophobicContact CB-CD1 3.68Å; E252-L257 HydrophobicContact CB-CG 4.2Å; E252-L257 HydrophobicContact CG-CD1 4.31Å; N253-L257 PolarHBondContact O-N 2.94Å; N253-L257 VanDerWaalsContact O-N 3.14Å; F254-L257 PolarHBondContact O-N 3.09Å; L257-R259 PolarHBondContact O-N 2.7Å; L257-G261 WeakPolarHBondContact O-CA 3.48Å; L257-G261 PolarHBondContact O-N 3.01Å; L257-I264 HydrophobicContact CD1-CD1 4.04Å; L257-I325 HydrophobicContact CB-CD1 4.01Å; L257-I325 HydrophobicContact CB-CG1 4.01Å; L257-I325 HydrophobicContact CD1-CD1 3.79Å; L257-I325 HydrophobicContact CD1-CG1 4.2Å; L257-I325 HydrophobicContact CG-CD1 4.47Å; L257-I325 HydrophobicContact CG-CG1 4.49Å
258	C	90.7	Very high	92.8	Very high	1 Å²	1	48 Å²	48	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-65	-26.5	173.5	-66.1	0	0	0	0	113.4	L110 R111 P186 F254 T255 E256	L110-C258 HydrophobicContact CB-CB 4.3Å; L110-C258 HydrophobicContact CD1-CB 4.38Å; R111-C258 WeakPolarHBondContact CB-O 3.4Å; P186-C258 HydrophobicContact CB-CB 3.65Å; F254-C258 WeakPolarHBondContact CE1-SG 3.35Å; F254-C258 PolarHBondContact O-N 2.84Å; F254-C258 PolarHBondContact O-SG 2.86Å; T255-C258 PolarHBondContact O-N 2.05Å; E256-C258 PolarHBondContact O-N 3.36Å
259	R	88.1	Confident	92.8	Very high	169 Å²	169	45.4 Å²	45.4	64%	0.638	21%	0.21	S	C	*	.	H	α-helix	trans	-87.1	-54	-177.5	-66	-179.2	78.6	113.4	1.4	111.6	R111 T255 E256 L257	R111-R259 PolarHBondContact NE-O 3.34Å; R111-R259 VanDerWaalsContact NE-O 3.09Å; R111-R259 PolarHBondContact NH2-O 2.89Å; T255-R259 PolarHBondContact O-N 3.27Å; E256-R259 WeakPolarHBondContact O-CB 3.13Å; E256-R259 PolarHBondContact O-N 3.2Å; L257-R259 PolarHBondContact O-N 2.7Å
260	T	87.4	Confident	92.8	Very high	46 Å²	46	41.1 Å²	41.1	28%	0.282	19%	0.192	S	C	.	.	H	α-helix	trans	-94.3	-22.4	-173.4	58.6	0	0	0	0	113	E256 G300 Y301	E256-T260 PolarHBondContact O-N 2.83Å; E256-T260 PolarHBondContact O-OG1 2.95Å; T260-G300 VanDerWaalsContact O-CA 3.25Å; T260-G300 WeakPolarHBondContact O-CA 3.46Å; T260-Y301 PolarHBondContact O-N 2.79Å
261	G	91	Very high	92.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.213	C	C	.	.			trans	72	176.9	-161.6	0	0	0	0	0	112.4	L257 G324	L257-G261 WeakPolarHBondContact O-CA 3.48Å; L257-G261 PolarHBondContact O-N 3.01Å; G261-G324 CarbonylContact C-O 3.33Å; G261-G324 WeakPolarHBondContact CA-O 3.2Å
262	G	92.4	Very high	92.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	168.9	174.7	0	0	0	0	0	112.5	G324 I325 R326	G262-G324 PolarHBondContact N-O 3.44Å; G262-I325 WeakPolarHBondContact O-CA 3.38Å; G262-R326 PolarHBondContact O-N 2.82Å
263	V	94.3	Very high	93	Very high	20 Å²	20	35.8 Å²	35.8	12%	0.121	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	120.4	179.4	-172	0	0	0	0	109	R289 L290 D291 Y301 R326	V263-R289 CarbonylContact O-C 3.57Å; V263-R289 WeakPolarHBondContact O-CA 3.41Å; V263-L290 HydrophobicContact CB-CB 4.36Å; V263-L290 HydrophobicContact CG1-CB 4.06Å; V263-L290 HydrophobicContact CG1-CD1 4.22Å; V263-L290 PolarHBondContact O-N 2.91Å; V263-D291 HydrophobicContact CB-CB 4.26Å; V263-D291 HydrophobicContact CG2-CB 4.25Å; V263-D291 PolarHBondContact N-OD1 3.26Å; V263-Y301 HydrophobicContact CG2-CD2 4.12Å; V263-Y301 HydrophobicContact CG2-CG 4.29Å; V263-R326 CarbonylContact C-O 3.57Å; V263-R326 WeakPolarHBondContact CA-O 3.47Å; V263-R326 HydrophobicContact CG1-CB 4.32Å; V263-R326 HydrophobicContact CG1-CG 4.31Å; V263-R326 HydrophobicContact CG2-CB 4.29Å
264	I	95.8	Very high	93.2	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	123.9	179.4	-56.3	177.5	0	0	0	109.3	I246 A250 L257 R288 I325 R326 L327 D328	I246-I264 HydrophobicContact CG2-CD1 4.32Å; I246-I264 HydrophobicContact CG2-CG2 3.87Å; A250-I264 HydrophobicContact CB-CD1 4.42Å; A250-I264 HydrophobicContact CB-CG2 4.07Å; L257-I264 HydrophobicContact CD1-CD1 4.04Å; I264-R288 CarbonylContact C-O 3.54Å; I264-I325 HydrophobicContact CB-CG2 4.48Å; I264-I325 HydrophobicContact CD1-CG2 3.86Å; I264-I325 HydrophobicContact CG1-CG2 4.09Å; I264-R326 PolarHBondContact N-O 2.74Å; I264-L327 HydrophobicContact CB-CD2 3.95Å; I264-L327 HydrophobicContact CG2-CD2 4.45Å; I264-L327 VanDerWaalsContact O-CA 3.31Å; I264-L327 WeakPolarHBondContact O-CA 3.36Å; I264-D328 PolarHBondContact O-N 3.09Å
265	G	96.8	Very high	93.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	127.3	170.8	0	0	0	0	0	110.6	F287 R288 D328	G265-F287 WeakPolarHBondContact O-CA 3.32Å; G265-R288 PolarHBondContact N-O 3.02Å; G265-R288 PolarHBondContact O-N 2.87Å; G265-D328 CarbonylContact C-O 3.54Å; G265-D328 WeakPolarHBondContact CA-O 2.94Å
266	V	97.4	Very high	93.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	99.9	170.2	-178.1	0	0	0	0	107.4	I197 Y285 F287 L327 D328 I329 I330	I197-V266 HydrophobicContact CD1-CG1 3.97Å; V266-Y285 HydrophobicContact CG1-CD1 4.49Å; V266-F287 HydrophobicContact CB-CD1 4.38Å; V266-F287 HydrophobicContact CB-CE1 4.32Å; V266-F287 HydrophobicContact CG1-CD1 4.17Å; V266-F287 HydrophobicContact CG1-CE1 3.67Å; V266-F287 HydrophobicContact CG2-CD1 3.98Å; V266-F287 HydrophobicContact CG2-CE1 4.02Å; V266-L327 HydrophobicContact CG2-CD2 4.39Å; V266-D328 PolarHBondContact N-O 3.04Å; V266-I329 HydrophobicContact CB-CG1 4.3Å; V266-I329 WeakPolarHBondContact O-CA 3.15Å; V266-I330 PolarHBondContact O-N 3.03Å
267	F	96.8	Very high	93.3	Very high	39 Å²	39	36.6 Å²	36.6	17%	0.171	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	121.2	-178.7	-61	-92.3	0	0	0	109.7	Y285 T286 R288 L290 I330 H332	F267-Y285 WeakPolarHBondContact O-CA 3.36Å; F267-T286 WeakPolarHBondContact CB-OG1 3.44Å; F267-T286 PolarHBondContact N-O 3.15Å; F267-T286 PolarHBondContact O-N 3.22Å; F267-R288 HydrophobicContact CE2-CB 3.9Å; F267-L290 HydrophobicContact CE2-CD2 4.21Å; F267-L290 HydrophobicContact CZ-CD2 3.89Å; F267-I330 CarbonylContact C-O 3.51Å; F267-I330 VanDerWaalsContact CA-O 3.3Å; F267-I330 WeakPolarHBondContact CA-O 3.28Å; F267-I330 HydrophobicContact CD1-CB 3.89Å; F267-I330 HydrophobicContact CD1-CD1 4.18Å; F267-I330 HydrophobicContact CD1-CG2 4.01Å; F267-I330 HydrophobicContact CE1-CB 4.13Å; F267-I330 HydrophobicContact CE1-CD1 3.56Å; F267-I330 HydrophobicContact CE1-CG1 4.44Å; F267-I330 HydrophobicContact CE1-CG2 4.17Å; F267-I330 HydrophobicContact CZ-CD1 3.88Å; F267-H332 AromaticContact CD1-NE2 3.87Å
268	I	96.2	Very high	93.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	108.3	174.8	-46.9	-176.6	0	0	0	107.1	I197 N199 P283 T284 Y285 I329 I330 V331 H332	I197-I268 HydrophobicContact CG2-CD1 3.97Å; N199-I268 HydrophobicContact CB-CD1 3.95Å; I268-P283 HydrophobicContact CG2-CB 3.92Å; I268-T284 WeakPolarHBondContact CA-O 3.39Å; I268-Y285 HydrophobicContact CB-CD1 4.47Å; I268-Y285 HydrophobicContact CB-CE1 4.24Å; I268-Y285 HydrophobicContact CD1-CD1 4.39Å; I268-Y285 HydrophobicContact CD1-CE1 3.68Å; I268-Y285 HydrophobicContact CG1-CD1 3.82Å; I268-Y285 HydrophobicContact CG1-CE1 3.56Å; I268-Y285 HydrophobicContact CG2-CD1 4.41Å; I268-Y285 HydrophobicContact CG2-CE1 3.89Å; I268-I329 HydrophobicContact CD1-CG2 3.68Å; I268-I329 HydrophobicContact CG1-CG2 4.21Å; I268-I330 PolarHBondContact N-O 2.84Å; I268-V331 HydrophobicContact CB-CG2 4.31Å; I268-V331 HydrophobicContact CD1-CG2 4.26Å; I268-V331 WeakPolarHBondContact O-CA 3.43Å; I268-H332 PolarHBondContact O-N 2.94Å; I268-H332 VanDerWaalsContact O-O 3.12Å
269	N	95.7	Very high	92.8	Very high	62 Å²	62	43.3 Å²	43.3	33%	0.332	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.8	179.5	-174.6	38.3	0	0	0	111.4	T284 H332	N269-T284 WeakPolarHBondContact CB-OG1 3.27Å; N269-T284 PolarHBondContact N-O 3.28Å; N269-T284 PolarHBondContact O-N 3.03Å; N269-T284 PolarHBondContact O-OG1 3.35Å; N269-H332 WeakPolarHBondContact CA-O 3.29Å
270	W	95	Very high	92.8	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.008	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	91	177.6	-69.5	95	0	0	0	110.2	N199 I201 R210 N212 P283 H332 G333 Q334	N199-W270 PolarHBondContact OD1-NE1 2.83Å; I201-W270 HydrophobicContact CD1-CB 3.66Å; I201-W270 HydrophobicContact CD1-CD2 3.36Å; I201-W270 HydrophobicContact CD1-CE3 3.76Å; I201-W270 HydrophobicContact CD1-CG 3.35Å; I201-W270 HydrophobicContact CD1-CZ2 4.48Å; I201-W270 HydrophobicContact CD1-CZ3 4.46Å; I201-W270 HydrophobicContact CG1-CD2 3.96Å; I201-W270 HydrophobicContact CG1-CE3 4.44Å; I201-W270 HydrophobicContact CG1-CG 4.19Å; I201-W270 HydrophobicContact CG1-CZ2 4.2Å; I201-W270 HydrophobicContact CG2-CG 4.47Å; R210-W270 HydrophobicContact CB-CH2 4.06Å; R210-W270 HydrophobicContact CB-CZ3 3.94Å; N212-W270 HydrophobicContact CB-CH2 4.4Å; N212-W270 HydrophobicContact CB-CZ2 3.96Å; W270-P283 HydrophobicContact CD2-CB 4.1Å; W270-P283 HydrophobicContact CE3-CB 4.37Å; W270-P283 HydrophobicContact CH2-CB 4Å; W270-P283 HydrophobicContact CH2-CG 3.88Å; W270-P283 HydrophobicContact CZ2-CB 3.7Å; W270-P283 HydrophobicContact CZ2-CG 3.97Å; W270-P283 HydrophobicContact CZ3-CB 4.33Å; W270-P283 HydrophobicContact CZ3-CG 4.34Å; W270-H332 PolarHBondContact N-O 2.87Å; W270-G333 CarbonylContact O-C 3.57Å; W270-G333 WeakPolarHBondContact O-CA 3.2Å; W270-Q334 PolarHBondContact O-N 3.33Å; W270-Q334 VanDerWaalsContact O-O 3.11Å
271	D	93.9	Very high	93	Very high	99 Å²	99	39.2 Å²	39.2	53%	0.529	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	104.8	170.2	-178.3	10	0	0	0	109.1
272	C	94.3	Very high	93	Very high	1 Å²	1	44 Å²	44	1%	0.007	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	115.7	-170	-66.5	0	0	0	0	111.8	L274 C281 Q334 A335 G336	C272-L274 HydrophobicContact CB-CD2 4.34Å; C272-L274 PolarHBondContact O-N 2.77Å; C272-C281 HydrophobicContact CB-CB 3.71Å; C272-C281 WeakPolarHBondContact CB-SG 3.41Å; C272-C281 VanDerWaalsContact SG-CA 3.54Å; C272-C281 WeakPolarHBondContact SG-CB 3.43Å; C272-C281 CovalentContact SG-SG 2.02Å; C272-C281 PolarHBondContact SG-SG 2.78Å; C272-Q334 PolarHBondContact N-O 3.16Å; C272-A335 VanDerWaalsContact O-CA 3.28Å; C272-A335 WeakPolarHBondContact O-CA 3.31Å; C272-G336 PolarHBondContact O-N 2.85Å
273	N	94.7	Very high	93.1	Very high	26 Å²	26	44.2 Å²	44.2	14%	0.139	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	106.1	163.9	-172.7	-7.7	0	0	0	109.4	Q66 D275 L276	Q66-N273 PolarHBondContact NE2-OD1 3.36Å; N273-D275 PolarHBondContact O-N 2.78Å; N273-D275 WeakPolarHBondContact OD1-CB 3.46Å; N273-D275 PolarHBondContact OD1-N 3.01Å; N273-D275 VanDerWaalsContact OD1-N 3.11Å; N273-L276 HydrophobicContact CB-CD1 4.03Å; N273-L276 HydrophobicContact CB-CG 4.16Å; N273-L276 PolarHBondContact O-N 3.29Å
274	L	94.1	Very high	93.1	Very high	31 Å²	31	46.2 Å²	46.2	16%	0.162	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-4.7	-177.5	-58.9	-178.5	0	0	0	113.7	F206 V208 C272 A335 G336 K337	F206-L274 HydrophobicContact CB-CD1 3.67Å; F206-L274 HydrophobicContact CD2-CD1 3.54Å; F206-L274 HydrophobicContact CE2-CD1 4.33Å; F206-L274 HydrophobicContact CG-CD1 3.65Å; V208-L274 HydrophobicContact CG1-CD2 4.14Å; V208-L274 HydrophobicContact CG2-CD1 4.04Å; V208-L274 HydrophobicContact CG2-CD2 4.36Å; C272-L274 HydrophobicContact CB-CD2 4.34Å; C272-L274 PolarHBondContact O-N 2.77Å; L274-A335 HydrophobicContact CD1-CB 3.92Å; L274-A335 HydrophobicContact CG-CB 4.15Å; L274-G336 WeakPolarHBondContact CB-O 3.32Å; L274-G336 PolarHBondContact N-O 2.74Å; L274-K337 HydrophobicContact CB-CB 4.04Å; L274-K337 HydrophobicContact CB-CD 4.47Å; L274-K337 HydrophobicContact CB-CG 4.16Å; L274-K337 HydrophobicContact CD1-CB 4.21Å
275	D	92.9	Very high	93.1	Very high	66 Å²	66	46.8 Å²	46.8	35%	0.353	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-18.4	172.5	-59.5	-24.3	0	0	0	112.2	Q66 N273 F338	Q66-D275 PolarHBondContact NE2-OD2 3.44Å; N273-D275 PolarHBondContact O-N 2.78Å; N273-D275 WeakPolarHBondContact OD1-CB 3.46Å; N273-D275 PolarHBondContact OD1-N 3.01Å; N273-D275 VanDerWaalsContact OD1-N 3.11Å; D275-F338 WeakPolarHBondContact OD1-CB 3.4Å; D275-F338 PolarHBondContact OD1-N 3.1Å; D275-F338 PolarHBondContact OD2-N 2.04Å
276	L	91.8	Very high	93	Very high	94 Å²	94	50.8 Å²	50.8	49%	0.492	28%	0.275	S	S	.	.	S	Bend	trans	-91.6	172.8	177.2	-60.7	179.9	0	0	0	111.2	N273	N273-L276 HydrophobicContact CB-CD1 4.03Å; N273-L276 HydrophobicContact CB-CG 4.16Å; N273-L276 PolarHBondContact O-N 3.29Å
277	D	89.1	Confident	93	Very high	111 Å²	111	51.8 Å²	51.8	59%	0.594	28%	0.28	S	S	*	.			trans	-54.7	138.8	175.1	-92.9	-69.1	0	0	0	112.1	S279 H280	D277-S279 PolarHBondContact O-N 2.86Å; D277-H280 PolarHBondContact O-N 2.88Å; D277-H280 PolarHBondContact O-ND1 3.18Å
278	P	85.9	Confident	92.9	Very high	69 Å²	69	57.5 Å²	57.5	45%	0.448	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-45	-30.6	175.9	-37.2	40.8	0	0	0	116.5	R210 H280 C281	R210-P278 VanDerWaalsContact NH2-CB 3.31Å; P278-H280 VanDerWaalsContact C-N 3.3Å; P278-H280 PolarHBondContact O-N 3.17Å; P278-C281 PolarHBondContact O-N 3.2Å
279	S	84.8	Confident	92.7	Very high	75 Å²	75	58.7 Å²	58.7	52%	0.524	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-70.8	-19.3	-178.2	54.7	0	0	0	0	114.3	Y237 D277 C281	Y237-S279 PolarHBondContact OH-O 2.8Å; D277-S279 PolarHBondContact O-N 2.86Å; S279-C281 VanDerWaalsContact C-N 3.34Å
280	H	88.5	Confident	92.5	Very high	122 Å²	122	58.4 Å²	58.4	57%	0.565	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-79.1	-21.9	178.4	-69.1	81.5	0	0	0	112.5	D277 P278 K282	D277-H280 PolarHBondContact O-N 2.88Å; D277-H280 PolarHBondContact O-ND1 3.18Å; P278-H280 VanDerWaalsContact C-N 3.3Å; P278-H280 PolarHBondContact O-N 3.17Å; H280-K282 PolarHBondContact O-N 2.75Å; H280-K282 VanDerWaalsContact O-N 3.1Å
281	C	91	Very high	92	Very high	7 Å²	7	59.9 Å²	59.9	5%	0.047	31%	0.31	C	S	.	.			trans	-81.3	86	175.2	176.3	0	0	0	0	109.2	C272 P278 S279	C272-C281 HydrophobicContact CB-CB 3.71Å; C272-C281 WeakPolarHBondContact CB-SG 3.41Å; C272-C281 VanDerWaalsContact SG-CA 3.54Å; C272-C281 WeakPolarHBondContact SG-CB 3.43Å; C272-C281 CovalentContact SG-SG 2.02Å; C272-C281 PolarHBondContact SG-SG 2.78Å; P278-C281 PolarHBondContact O-N 3.2Å; S279-C281 VanDerWaalsContact C-N 3.34Å
282	K	91.2	Very high	91	Very high	101 Å²	101	62.3 Å²	62.3	44%	0.439	32%	0.323	S	S	.	.			trans	-118.9	147.6	-179.1	69	-177.6	178	179.4	0	111.5	Y237 H280	Y237-K282 HydrophobicContact CE1-CB 4.18Å; Y237-K282 HydrophobicContact CE2-CB 4.41Å; Y237-K282 WeakPolarHBondContact OH-CB 3.46Å; H280-K282 PolarHBondContact O-N 2.75Å; H280-K282 VanDerWaalsContact O-N 3.1Å
283	P	94.1	Very high	89.7	Confident	3 Å²	3	68.1 Å²	68.1	2%	0.019	35%	0.345	C	S	.	.			trans	-71.4	137.7	176.3	28.4	-31	0	0	0	110.4	N212 I268 W270 Y285	N212-P283 HydrophobicContact CB-CB 4.47Å; N212-P283 HydrophobicContact CB-CG 3.92Å; I268-P283 HydrophobicContact CG2-CB 3.92Å; W270-P283 HydrophobicContact CD2-CB 4.1Å; W270-P283 HydrophobicContact CE3-CB 4.37Å; W270-P283 HydrophobicContact CH2-CB 4Å; W270-P283 HydrophobicContact CH2-CG 3.88Å; W270-P283 HydrophobicContact CZ2-CB 3.7Å; W270-P283 HydrophobicContact CZ2-CG 3.97Å; W270-P283 HydrophobicContact CZ3-CB 4.33Å; W270-P283 HydrophobicContact CZ3-CG 4.34Å; P283-Y285 HydrophobicContact CB-CE2 3.78Å; P283-Y285 HydrophobicContact CG-CE2 3.83Å
284	T	94.4	Very high	87.7	Confident	63 Å²	63	74.3 Å²	74.3	39%	0.387	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	133.4	170.5	55.2	0	0	0	0	109.2	I268 N269	I268-T284 WeakPolarHBondContact CA-O 3.39Å; N269-T284 WeakPolarHBondContact CB-OG1 3.27Å; N269-T284 PolarHBondContact N-O 3.28Å; N269-T284 PolarHBondContact O-N 3.03Å; N269-T284 PolarHBondContact O-OG1 3.35Å
285	Y	96	Very high	85.8	Confident	12 Å²	12	80.4 Å²	80.4	5%	0.047	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	126.8	-174.3	-65.4	-90.9	0	0	0	110.3	N212 Y230 F241 V266 F267 I268 P283	N212-Y285 VanDerWaalsContact CB-OH 3.28Å; N212-Y285 WeakPolarHBondContact CB-OH 3.18Å; N212-Y285 PolarHBondContact ND2-OH 3.19Å; Y230-Y285 HydrophobicContact CD2-CD2 4.29Å; Y230-Y285 HydrophobicContact CD2-CE2 4.35Å; Y230-Y285 AromaticContact CE2-CD2 3.35Å; Y230-Y285 HydrophobicContact CE2-CD2 3.35Å; Y230-Y285 AromaticContact CE2-CE2 3.68Å; Y230-Y285 HydrophobicContact CE2-CE2 3.68Å; Y230-Y285 HydrophobicContact CE2-CG 4.19Å; Y230-Y285 AromaticContact CZ-CD2 3.5Å; Y230-Y285 VanDerWaalsContact CZ-CD2 3.5Å; Y230-Y285 WeakPolarHBondContact OH-CD2 3.28Å; F241-Y285 HydrophobicContact CE1-CD1 4.03Å; F241-Y285 HydrophobicContact CE1-CD2 4.39Å; F241-Y285 HydrophobicContact CE1-CE1 4.34Å; F241-Y285 HydrophobicContact CE1-CG 4.05Å; F241-Y285 HydrophobicContact CE2-CE1 4.24Å; F241-Y285 AromaticContact CZ-CD1 3.7Å; F241-Y285 HydrophobicContact CZ-CD1 3.7Å; F241-Y285 HydrophobicContact CZ-CD2 4.18Å; F241-Y285 AromaticContact CZ-CE1 3.55Å; F241-Y285 HydrophobicContact CZ-CE1 3.55Å; F241-Y285 HydrophobicContact CZ-CE2 4.03Å; F241-Y285 HydrophobicContact CZ-CG 4.01Å; F241-Y285 AromaticContact CZ-CZ 3.74Å; V266-Y285 HydrophobicContact CG1-CD1 4.49Å; F267-Y285 WeakPolarHBondContact O-CA 3.36Å; I268-Y285 HydrophobicContact CB-CD1 4.47Å; I268-Y285 HydrophobicContact CB-CE1 4.24Å; I268-Y285 HydrophobicContact CD1-CD1 4.39Å; I268-Y285 HydrophobicContact CD1-CE1 3.68Å; I268-Y285 HydrophobicContact CG1-CD1 3.82Å; I268-Y285 HydrophobicContact CG1-CE1 3.56Å; I268-Y285 HydrophobicContact CG2-CD1 4.41Å; I268-Y285 HydrophobicContact CG2-CE1 3.89Å; P283-Y285 HydrophobicContact CB-CE2 3.78Å; P283-Y285 HydrophobicContact CG-CE2 3.83Å
286	T	95.9	Very high	84.1	Confident	84 Å²	84	82.9 Å²	82.9	52%	0.515	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.2	171.6	60.1	0	0	0	0	110.1	F267	F267-T286 WeakPolarHBondContact CB-OG1 3.44Å; F267-T286 PolarHBondContact N-O 3.15Å; F267-T286 PolarHBondContact O-N 3.22Å
287	F	96.3	Very high	82.4	Confident	21 Å²	21	83.6 Å²	83.6	9%	0.092	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	127.7	-173.3	-56.1	-83.9	0	0	0	109	F241 Y245 I246 K249 A250 G265 V266	F241-F287 HydrophobicContact CD1-CE1 4.41Å; F241-F287 AromaticContact CD1-CZ 3.78Å; F241-F287 HydrophobicContact CD1-CZ 3.78Å; F241-F287 AromaticContact CE1-CZ 3.88Å; F241-F287 HydrophobicContact CE1-CZ 3.88Å; Y245-F287 AromaticContact CE1-CE2 3.99Å; Y245-F287 HydrophobicContact CE1-CE2 3.99Å; Y245-F287 HydrophobicContact CE1-CZ 4.44Å; I246-F287 HydrophobicContact CB-CD1 4.28Å; I246-F287 HydrophobicContact CB-CE1 4.41Å; I246-F287 HydrophobicContact CD1-CE1 4.34Å; I246-F287 HydrophobicContact CG1-CD1 4.11Å; I246-F287 HydrophobicContact CG1-CE1 3.74Å; I246-F287 HydrophobicContact CG1-CZ 4.36Å; I246-F287 HydrophobicContact CG2-CD1 3.76Å; I246-F287 HydrophobicContact CG2-CE1 4.26Å; I246-F287 HydrophobicContact CG2-CG 4.46Å; K249-F287 HydrophobicContact CB-CB 4.14Å; K249-F287 HydrophobicContact CB-CD2 3.66Å; K249-F287 HydrophobicContact CB-CE2 4.48Å; K249-F287 HydrophobicContact CB-CG 4.18Å; K249-F287 HydrophobicContact CG-CD2 4.27Å; A250-F287 HydrophobicContact CB-CB 4.26Å; G265-F287 WeakPolarHBondContact O-CA 3.32Å; V266-F287 HydrophobicContact CB-CD1 4.38Å; V266-F287 HydrophobicContact CB-CE1 4.32Å; V266-F287 HydrophobicContact CG1-CD1 4.17Å; V266-F287 HydrophobicContact CG1-CE1 3.67Å; V266-F287 HydrophobicContact CG2-CD1 3.98Å; V266-F287 HydrophobicContact CG2-CE1 4.02Å
288	R	94.6	Very high	81.1	Confident	159 Å²	159	84.7 Å²	84.7	60%	0.6	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.4	140.2	-179.8	-158.5	-173.9	91.3	126.9	0.9	110.5	I264 G265 F267	I264-R288 CarbonylContact C-O 3.54Å; G265-R288 PolarHBondContact N-O 3.02Å; G265-R288 PolarHBondContact O-N 2.87Å; F267-R288 HydrophobicContact CE2-CB 3.9Å
289	R	92.6	Very high	80.2	Confident	25 Å²	25	84.1 Å²	84.1	9%	0.094	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	134.1	166.2	-170	162.6	177.8	178	-2.1	110.4	E252 V263 D291	E252-R289 HydrophobicContact CG-CB 4.49Å; E252-R289 WeakPolarHBondContact OE1-CB 3.39Å; E252-R289 WeakPolarHBondContact OE1-CD 3.39Å; E252-R289 WeakPolarHBondContact OE2-CD 3.35Å; E252-R289 IonicContact OE2-CZ 3.79Å; E252-R289 IonicContact OE2-NH1 3.11Å; E252-R289 PolarHBondContact OE2-NH1 3.07Å; V263-R289 CarbonylContact O-C 3.57Å; V263-R289 WeakPolarHBondContact O-CA 3.41Å; R289-D291 WeakPolarHBondContact CD-OD1 3.25Å; R289-D291 WeakPolarHBondContact CG-OD1 3.29Å; R289-D291 IonicContact CZ-OD1 2.8Å; R289-D291 IonicContact CZ-OD2 2.99Å; R289-D291 VanDerWaalsContact NE-CG 3.28Å; R289-D291 IonicContact NE-OD1 3.24Å; R289-D291 PolarHBondContact NE-OD1 3.17Å; R289-D291 IonicContact NE-OD2 3.46Å; R289-D291 PolarHBondContact NE-OD2 3.33Å; R289-D291 IonicContact NH2-OD1 3.34Å; R289-D291 IonicContact NH2-OD2 3.78Å; R289-D291 PolarHBondContact NH2-OD2 3.45Å
290	L	91.5	Very high	80.1	Confident	56 Å²	56	81.5 Å²	81.5	29%	0.293	42%	0.423	S	S	.	.			trans	-103	-29.3	-177	-61.3	-178.2	0	0	0	112.6	V263 F267 D328 I330	V263-L290 HydrophobicContact CB-CB 4.36Å; V263-L290 HydrophobicContact CG1-CB 4.06Å; V263-L290 HydrophobicContact CG1-CD1 4.22Å; V263-L290 PolarHBondContact O-N 2.91Å; F267-L290 HydrophobicContact CE2-CD2 4.21Å; F267-L290 HydrophobicContact CZ-CD2 3.89Å; L290-D328 HydrophobicContact CD1-CB 3.94Å; L290-I330 HydrophobicContact CD1-CD1 4.31Å
291	D	84.1	Confident	80.2	Confident	32 Å²	32	77.7 Å²	77.7	17%	0.171	40%	0.404	C	S	.	.	S	Bend	trans	-75	151.4	175.7	61.4	-52.7	0	0	0	112.1	V263 R289 R293	V263-D291 HydrophobicContact CB-CB 4.26Å; V263-D291 HydrophobicContact CG2-CB 4.25Å; V263-D291 PolarHBondContact N-OD1 3.26Å; R289-D291 WeakPolarHBondContact CD-OD1 3.25Å; R289-D291 WeakPolarHBondContact CG-OD1 3.29Å; R289-D291 IonicContact CZ-OD1 2.8Å; R289-D291 IonicContact CZ-OD2 2.99Å; R289-D291 VanDerWaalsContact NE-CG 3.28Å; R289-D291 IonicContact NE-OD1 3.24Å; R289-D291 PolarHBondContact NE-OD1 3.17Å; R289-D291 IonicContact NE-OD2 3.46Å; R289-D291 PolarHBondContact NE-OD2 3.33Å; R289-D291 IonicContact NH2-OD1 3.34Å; R289-D291 IonicContact NH2-OD2 3.78Å; R289-D291 PolarHBondContact NH2-OD2 3.45Å; D291-R293 PolarHBondContact O-N 3.16Å; D291-R293 VanDerWaalsContact O-N 3.16Å
292	L	74.1	Confident	80.3	Confident	151 Å²	151	81.5 Å²	81.5	79%	0.791	42%	0.418	S	S	*	.			trans	-67.1	112.4	179.7	-71.9	165.8	0	0	0	110	K294	L292-K294 PolarHBondContact O-N 3.29Å
293	R	66.3	Low	80.3	Confident	123 Å²	123	78.6 Å²	78.6	46%	0.464	41%	0.405	S	S	.	.			trans	-75.1	103.1	167.5	-95.9	173.8	153	177.8	-8.4	108.9	R251 E252 D291	R251-R293 PolarHBondContact O-NH1 3.06Å; R251-R293 PolarHBondContact O-NH2 2.98Å; E252-R293 IonicContact OE1-CZ 3.18Å; E252-R293 IonicContact OE1-NE 2.97Å; E252-R293 PolarHBondContact OE1-NE 2.89Å; E252-R293 IonicContact OE1-NH1 2.65Å; E252-R293 PolarHBondContact OE1-NH1 3.26Å; E252-R293 IonicContact OE1-NH2 2.7Å; E252-R293 PolarHBondContact OE1-NH2 3.11Å; E252-R293 IonicContact OE2-CZ 3.75Å; E252-R293 IonicContact OE2-NE 2.98Å; E252-R293 PolarHBondContact OE2-NE 3.02Å; E252-R293 VanDerWaalsContact OE2-NE 3.11Å; E252-R293 IonicContact OE2-NH2 3.06Å; E252-R293 PolarHBondContact OE2-NH2 2.85Å; D291-R293 PolarHBondContact O-N 3.16Å; D291-R293 VanDerWaalsContact O-N 3.16Å
294	K	52.5	Low	80.3	Confident	156 Å²	156	84 Å²	84	68%	0.678	43%	0.425	S	S	*	.	S	Bend	trans	153	139.1	140.7	-86.2	167.1	179.7	-171.8	0	113.3	L292 L296	L292-K294 PolarHBondContact O-N 3.29Å; K294-L296 PolarHBondContact O-N 2.81Å
295	D	53.4	Low	80.3	Confident	158 Å²	158	84.4 Å²	84.4	85%	0.845	42%	0.421	S	S	*	.	S	Bend	trans	58.1	2.1	148.1	-48.3	-29.4	0	0	0	120.1
296	L	57.7	Low	80.3	Confident	119 Å²	119	85.2 Å²	85.2	62%	0.623	43%	0.43	S	S	*	.			trans	-90.7	142	171.4	-77.5	127.7	0	0	0	111.3	K294 D298 S299	K294-L296 PolarHBondContact O-N 2.81Å; L296-D298 PolarHBondContact O-N 3Å; L296-D298 VanDerWaalsContact O-N 3.09Å; L296-S299 VanDerWaalsContact O-CB 3.31Å; L296-S299 WeakPolarHBondContact O-CB 3.36Å; L296-S299 PolarHBondContact O-N 3.23Å; L296-S299 PolarHBondContact O-OG 2.77Å
297	A	56.9	Low	80.2	Confident	109 Å²	109	87.1 Å²	87.1	90%	0.901	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-23.2	177.4	0	0	0	0	0	113.2
298	D	60.7	Low	80.2	Confident	133 Å²	133	92.2 Å²	92.2	71%	0.711	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	16.8	176.1	-80.7	-29.8	0	0	0	114.4	L296 G300	L296-D298 PolarHBondContact O-N 3Å; L296-D298 VanDerWaalsContact O-N 3.09Å; D298-G300 PolarHBondContact O-N 2.77Å
299	S	68.6	Low	80.2	Confident	58 Å²	58	88.1 Å²	88.1	41%	0.406	44%	0.436	S	S	.	.			trans	-71	127.2	177.1	57.9	0	0	0	0	112	L296	L296-S299 VanDerWaalsContact O-CB 3.31Å; L296-S299 WeakPolarHBondContact O-CB 3.36Å; L296-S299 PolarHBondContact O-N 3.23Å; L296-S299 PolarHBondContact O-OG 2.77Å
300	G	82.3	Confident	80.3	Confident	19 Å²	19	92 Å²	92	20%	0.196	46%	0.459	C	S	.	.	S	Bend	trans	130.2	-170.3	179.4	0	0	0	0	0	113.2	T260 D298	T260-G300 VanDerWaalsContact O-CA 3.25Å; T260-G300 WeakPolarHBondContact O-CA 3.46Å; D298-G300 PolarHBondContact O-N 2.77Å
301	Y	90.8	Very high	80.3	Confident	42 Å²	42	92.9 Å²	92.9	17%	0.165	46%	0.46	C	S	.	.			trans	-137.4	120.3	172.8	174.9	-102.3	0	0	0	109.5	S107 T260 V263 Y303 G324 R326	S107-Y301 PolarHBondContact OG-OH 3.42Å; T260-Y301 PolarHBondContact O-N 2.79Å; V263-Y301 HydrophobicContact CG2-CD2 4.12Å; V263-Y301 HydrophobicContact CG2-CG 4.29Å; Y301-Y303 AromaticContact CE1-CD1 3.9Å; Y301-Y303 HydrophobicContact CE1-CD1 3.9Å; Y301-Y303 HydrophobicContact CE1-CE1 4.29Å; Y301-Y303 AromaticContact CZ-CD1 3.99Å; Y301-G324 WeakPolarHBondContact CD1-O 3.4Å; Y301-G324 PolarHBondContact O-N 3.13Å; Y301-R326 HydrophobicContact CD1-CB 3.83Å; Y301-R326 HydrophobicContact CD2-CB 4.28Å; Y301-R326 HydrophobicContact CE1-CB 3.68Å; Y301-R326 HydrophobicContact CE2-CB 4.15Å; Y301-R326 HydrophobicContact CG-CB 4.13Å
302	Y	91.8	Very high	80.7	Confident	88 Å²	88	98.8 Å²	98.8	35%	0.345	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.4	172.3	70.6	-91.2	0	0	0	110.6	K321 A322 Y323	Y302-K321 HydrophobicContact CD2-CD 4.41Å; Y302-K321 HydrophobicContact CD2-CG 4Å; Y302-A322 CarbonylContact C-O 3.55Å; Y302-A322 WeakPolarHBondContact CA-O 3.36Å; Y302-A322 WeakPolarHBondContact CB-O 3.47Å; Y302-Y323 AromaticContact CD1-CE1 3.96Å; Y302-Y323 HydrophobicContact CD1-CE1 3.96Å; Y302-Y323 HydrophobicContact CG-CD1 4.34Å; Y302-Y323 AromaticContact CG-CE1 3.95Å; Y302-Y323 HydrophobicContact CG-CE1 3.95Å
303	Y	92.8	Very high	81.4	Confident	39 Å²	39	94.7 Å²	94.7	15%	0.153	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.6	172.1	64.6	-82.3	0	0	0	110	H98 T109 Y301 F305 A322	H98-Y303 VanDerWaalsContact CB-OH 3.31Å; H98-Y303 WeakPolarHBondContact CB-OH 3.49Å; T109-Y303 PolarHBondContact OG1-OH 3.38Å; T109-Y303 VanDerWaalsContact OG1-OH 3.08Å; Y301-Y303 AromaticContact CE1-CD1 3.9Å; Y301-Y303 HydrophobicContact CE1-CD1 3.9Å; Y301-Y303 HydrophobicContact CE1-CE1 4.29Å; Y301-Y303 AromaticContact CZ-CD1 3.99Å; Y303-F305 AromaticContact CD2-CD1 3.92Å; Y303-F305 HydrophobicContact CD2-CD1 3.92Å; Y303-F305 AromaticContact CE2-CD1 3.55Å; Y303-F305 HydrophobicContact CE2-CD1 3.55Å; Y303-F305 AromaticContact CE2-CE1 3.8Å; Y303-F305 HydrophobicContact CE2-CE1 3.8Å; Y303-A322 HydrophobicContact CD1-CB 4.24Å; Y303-A322 HydrophobicContact CE1-CB 3.77Å; Y303-A322 HydrophobicContact CE2-CB 4.15Å; Y303-A322 PolarHBondContact N-O 3.32Å; Y303-A322 PolarHBondContact O-N 3.45Å
304	R	92.9	Very high	82.7	Confident	117 Å²	117	92 Å²	92	44%	0.442	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	138.4	179.9	-69.1	-179.3	174.9	100.6	-4.9	110	E177 L319 I320 K321	E177-R304 IonicContact OE1-CZ 2.74Å; E177-R304 IonicContact OE1-NE 3.58Å; E177-R304 IonicContact OE1-NH2 3.54Å; E177-R304 PolarHBondContact OE1-NH2 3.05Å; E177-R304 VanDerWaalsContact OE1-NH2 3.13Å; E177-R304 IonicContact OE2-CZ 2.73Å; E177-R304 IonicContact OE2-NE 3.81Å; E177-R304 PolarHBondContact OE2-NE 3.34Å; E177-R304 IonicContact OE2-NH2 3.08Å; E177-R304 PolarHBondContact OE2-NH2 3.46Å; R304-L319 HydrophobicContact CB-CD1 4.3Å; R304-I320 WeakPolarHBondContact CA-O 3.08Å; R304-K321 HydrophobicContact CG-CB 4.14Å; R304-K321 HydrophobicContact CG-CG 4.02Å; R304-K321 VanDerWaalsContact NH2-CE 3.32Å
305	F	94.6	Very high	84.7	Confident	72 Å²	72	90.6 Å²	90.6	32%	0.316	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.7	170	64.7	-80.5	0	0	0	109.5	Y303 I320 A322	Y303-F305 AromaticContact CD2-CD1 3.92Å; Y303-F305 HydrophobicContact CD2-CD1 3.92Å; Y303-F305 AromaticContact CE2-CD1 3.55Å; Y303-F305 HydrophobicContact CE2-CD1 3.55Å; Y303-F305 AromaticContact CE2-CE1 3.8Å; Y303-F305 HydrophobicContact CE2-CE1 3.8Å; F305-I320 HydrophobicContact CD1-CB 4.27Å; F305-I320 HydrophobicContact CD2-CB 4.42Å; F305-I320 HydrophobicContact CD2-CD1 4.31Å; F305-I320 HydrophobicContact CE1-CB 3.91Å; F305-I320 HydrophobicContact CE1-CG2 3.73Å; F305-I320 HydrophobicContact CE2-CB 4.08Å; F305-I320 HydrophobicContact CE2-CD1 3.57Å; F305-I320 HydrophobicContact CE2-CG1 4.31Å; F305-I320 HydrophobicContact CE2-CG2 4.4Å; F305-I320 HydrophobicContact CZ-CB 3.8Å; F305-I320 HydrophobicContact CZ-CD1 3.83Å; F305-I320 HydrophobicContact CZ-CG1 4.39Å; F305-I320 HydrophobicContact CZ-CG2 3.66Å; F305-I320 PolarHBondContact N-O 2.69Å; F305-I320 PolarHBondContact O-N 3.24Å; F305-A322 HydrophobicContact CE1-CB 3.98Å
306	A	95.5	Very high	86.7	Confident	29 Å²	29	83 Å²	83	24%	0.24	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	142.6	-178.8	0	0	0	0	0	110.9	Y308 R317 T318	A306-Y308 HydrophobicContact CB-CD2 4.41Å; A306-Y308 HydrophobicContact CB-CE2 3.79Å; A306-R317 HydrophobicContact CB-CB 4.36Å; A306-R317 HydrophobicContact CB-CG 4.4Å; A306-T318 WeakPolarHBondContact CA-O 3.29Å
307	K	94.8	Very high	88.5	Confident	123 Å²	123	79.3 Å²	79.3	54%	0.535	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	113	168.4	-65	-176.3	-179.7	-177.8	0	108.2	Y309 R317 T318 I320	K307-Y309 WeakPolarHBondContact O-CD1 3.3Å; K307-R317 CarbonylContact O-C 3.55Å; K307-R317 VanDerWaalsContact O-CA 3.24Å; K307-R317 WeakPolarHBondContact O-CA 3.35Å; K307-T318 PolarHBondContact N-O 2.98Å; K307-T318 PolarHBondContact O-N 2.88Å; K307-I320 HydrophobicContact CD-CD1 3.86Å; K307-I320 HydrophobicContact CG-CD1 4.01Å
308	Y	95.8	Very high	90.4	Very high	129 Å²	129	74.8 Å²	74.8	51%	0.506	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	139.9	179.7	-65.2	-91	0	0	0	110.6	W173 A306 R317	W173-Y308 HydrophobicContact CH2-CD1 4.19Å; W173-Y308 AromaticContact CH2-CE1 3.76Å; W173-Y308 HydrophobicContact CH2-CE1 3.76Å; W173-Y308 AromaticContact CZ2-CE1 3.77Å; W173-Y308 HydrophobicContact CZ2-CE1 3.77Å; A306-Y308 HydrophobicContact CB-CD2 4.41Å; A306-Y308 HydrophobicContact CB-CE2 3.79Å; Y308-R317 HydrophobicContact CD1-CB 3.68Å; Y308-R317 HydrophobicContact CE1-CB 3.82Å; Y308-R317 HydrophobicContact CE1-CG 4.33Å; Y308-R317 HydrophobicContact CG-CB 4.21Å; Y308-R317 PolarHBondContact OH-NH1 3.33Å
309	Y	95.8	Very high	92	Very high	73 Å²	73	69.3 Å²	69.3	29%	0.286	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	157.9	177	57	-85.9	0	0	0	111	D117 K307 K311 S316 T318	D117-Y309 VanDerWaalsContact CA-OH 3.23Å; D117-Y309 WeakPolarHBondContact CA-OH 3.15Å; D117-Y309 PolarHBondContact N-OH 3.02Å; D117-Y309 VanDerWaalsContact N-OH 3.1Å; D117-Y309 PolarHBondContact OD1-OH 2.82Å; K307-Y309 WeakPolarHBondContact O-CD1 3.3Å; Y309-K311 HydrophobicContact CD2-CB 4.27Å; Y309-K311 HydrophobicContact CE2-CB 4.13Å; Y309-K311 HydrophobicContact CE2-CD 4.28Å; Y309-S316 PolarHBondContact N-O 2.84Å; Y309-S316 CarbonylContact O-C 3.55Å; Y309-S316 PolarHBondContact O-N 3.06Å; Y309-T318 WeakPolarHBondContact CE1-OG1 3.36Å; Y309-T318 PolarHBondContact OH-OG1 2.81Å
310	D	94.4	Very high	93.3	Very high	106 Å²	106	66.6 Å²	66.6	57%	0.567	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.7	171.5	-174.9	-95.7	0	0	0	110.4	G313 V314	D310-G313 WeakPolarHBondContact OD1-CA 3.21Å; D310-G313 PolarHBondContact OD1-N 2.78Å; D310-G313 WeakPolarHBondContact OD2-CA 2.97Å; D310-G313 PolarHBondContact OD2-N 2.93Å; D310-V314 PolarHBondContact OD2-N 2.92Å
311	K	91.6	Very high	93.9	Very high	75 Å²	75	66.9 Å²	66.9	33%	0.326	33%	0.325	S	S	.	.	S	Bend	trans	-127.1	99	173.6	-172	169.4	-177.1	175.2	0	109.1	D117 Y309 V314	D117-K311 WeakPolarHBondContact OD1-CD 3.41Å; D117-K311 IonicContact OD1-NZ 2.93Å; D117-K311 PolarHBondContact OD1-NZ 3.22Å; D117-K311 IonicContact OD2-NZ 2.69Å; D117-K311 PolarHBondContact OD2-NZ 2.75Å; Y309-K311 HydrophobicContact CD2-CB 4.27Å; Y309-K311 HydrophobicContact CE2-CB 4.13Å; Y309-K311 HydrophobicContact CE2-CD 4.28Å; K311-V314 PolarHBondContact N-O 3.46Å; K311-V314 PolarHBondContact O-N 3.25Å
312	N	91.2	Very high	94	Very high	156 Å²	156	64.9 Å²	64.9	83%	0.834	32%	0.317	S	S	*	.	S	Bend	trans	60.5	42.7	-178.9	-55.4	-29.3	0	0	0	113.3	V314	N312-V314 VanDerWaalsContact C-N 3.28Å; N312-V314 PolarHBondContact O-N 3.08Å
313	G	90.3	Very high	94.1	Very high	65 Å²	65	62 Å²	62	67%	0.67	31%	0.305	S	S	*	.	S	Bend	trans	78	9.9	-179.9	0	0	0	0	0	114.4	D310	D310-G313 WeakPolarHBondContact OD1-CA 3.21Å; D310-G313 PolarHBondContact OD1-N 2.78Å; D310-G313 WeakPolarHBondContact OD2-CA 2.97Å; D310-G313 PolarHBondContact OD2-N 2.93Å
314	V	91.8	Very high	94.1	Very high	66 Å²	66	60.1 Å²	60.1	40%	0.4	30%	0.298	S	S	.	.	S	Bend	trans	-115.2	119.7	175.4	-176.8	0	0	0	0	109.1	R119 D310 K311 N312 S316	R119-V314 HydrophobicContact CG-CG1 4.2Å; D310-V314 PolarHBondContact OD2-N 2.92Å; K311-V314 PolarHBondContact N-O 3.46Å; K311-V314 PolarHBondContact O-N 3.25Å; N312-V314 VanDerWaalsContact C-N 3.28Å; N312-V314 PolarHBondContact O-N 3.08Å; V314-S316 PolarHBondContact O-N 2.78Å; V314-S316 PolarHBondContact O-OG 2.84Å
315	E	94.6	Very high	94.2	Very high	126 Å²	126	54.6 Å²	54.6	59%	0.589	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	119	173.3	-172.4	177.4	-162.6	0	0	109.9
316	S	95.5	Very high	94.2	Very high	0 Å²	0	55 Å²	55	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	157.4	-180	-56.4	0	0	0	0	109.3	Q118 R119 Y309 V314	Q118-S316 CarbonylContact O-C 3.45Å; Q118-S316 VanDerWaalsContact O-CA 3.23Å; Q118-S316 WeakPolarHBondContact O-CA 3.45Å; R119-S316 WeakPolarHBondContact CG-OG 3.38Å; R119-S316 PolarHBondContact NE-OG 3.01Å; Y309-S316 PolarHBondContact N-O 2.84Å; Y309-S316 CarbonylContact O-C 3.55Å; Y309-S316 PolarHBondContact O-N 3.06Å; V314-S316 PolarHBondContact O-N 2.78Å; V314-S316 PolarHBondContact O-OG 2.84Å
317	R	96.1	Very high	94.3	Very high	40 Å²	40	53.6 Å²	53.6	15%	0.151	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.8	172.3	76.9	-177.1	-167.2	178.3	-0.5	111.5	Q118 W173 A306 K307 Y308	Q118-R317 HydrophobicContact CB-CG 3.81Å; Q118-R317 WeakPolarHBondContact CB-O 3.39Å; Q118-R317 PolarHBondContact N-O 3.22Å; Q118-R317 PolarHBondContact O-N 3.09Å; W173-R317 HydrophobicContact CD2-CG 4.11Å; W173-R317 VanDerWaalsContact CD2-NE 3.33Å; W173-R317 HydrophobicContact CE3-CB 4.48Å; W173-R317 HydrophobicContact CE3-CG 3.59Å; W173-R317 VanDerWaalsContact CG-NH2 3.32Å; W173-R317 HydrophobicContact CH2-CG 4.33Å; W173-R317 HydrophobicContact CZ3-CB 4.11Å; W173-R317 HydrophobicContact CZ3-CG 3.71Å; A306-R317 HydrophobicContact CB-CB 4.36Å; A306-R317 HydrophobicContact CB-CG 4.4Å; K307-R317 CarbonylContact O-C 3.55Å; K307-R317 VanDerWaalsContact O-CA 3.24Å; K307-R317 WeakPolarHBondContact O-CA 3.35Å; Y308-R317 HydrophobicContact CD1-CB 3.68Å; Y308-R317 HydrophobicContact CE1-CB 3.82Å; Y308-R317 HydrophobicContact CE1-CG 4.33Å; Y308-R317 HydrophobicContact CG-CB 4.21Å; Y308-R317 PolarHBondContact OH-NH1 3.33Å
318	T	95.9	Very high	94.3	Very high	14 Å²	14	49 Å²	49	9%	0.086	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113.6	164	-65.3	0	0	0	0	107.5	F114 T115 Y116 A306 K307 Y309 I320	F114-T318 HydrophobicContact CD1-CG2 3.7Å; F114-T318 HydrophobicContact CE1-CG2 4.46Å; T115-T318 WeakPolarHBondContact O-CA 3.35Å; Y116-T318 HydrophobicContact CD1-CG2 3.7Å; Y116-T318 HydrophobicContact CE1-CG2 4.02Å; Y116-T318 HydrophobicContact CG-CG2 4.49Å; A306-T318 WeakPolarHBondContact CA-O 3.29Å; K307-T318 PolarHBondContact N-O 2.98Å; K307-T318 PolarHBondContact O-N 2.88Å; Y309-T318 WeakPolarHBondContact CE1-OG1 3.36Å; Y309-T318 PolarHBondContact OH-OG1 2.81Å; T318-I320 HydrophobicContact CG2-CG1 4.05Å
319	L	96.1	Very high	94.4	Very high	18 Å²	18	43.3 Å²	43.3	9%	0.094	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	132.1	171.4	175.3	67.8	0	0	0	108.7	F114 T115 E177 R304	F114-L319 WeakPolarHBondContact CA-O 3.48Å; T115-L319 PolarHBondContact N-O 2.86Å; T115-L319 PolarHBondContact O-N 2.9Å; E177-L319 HydrophobicContact CB-CD2 4.15Å; E177-L319 HydrophobicContact CG-CD2 4.37Å; R304-L319 HydrophobicContact CB-CD1 4.3Å
320	I	94.9	Very high	94.4	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	121.3	-179.7	-52.3	174.8	0	0	0	107.5	R112 E113 F114 R304 F305 K307 T318	R112-I320 HydrophobicContact CB-CG2 4.37Å; R112-I320 HydrophobicContact CG-CG2 4.43Å; E113-I320 WeakPolarHBondContact O-CA 3.03Å; F114-I320 HydrophobicContact CD1-CD1 4.07Å; F114-I320 HydrophobicContact CD1-CG1 3.66Å; F114-I320 HydrophobicContact CD1-CG2 4.45Å; F114-I320 HydrophobicContact CE1-CB 4.43Å; F114-I320 HydrophobicContact CE1-CD1 3.47Å; F114-I320 VanDerWaalsContact CE1-CD1 3.47Å; F114-I320 HydrophobicContact CE1-CG1 3.55Å; F114-I320 HydrophobicContact CE1-CG2 4.08Å; F114-I320 HydrophobicContact CZ-CD1 4.31Å; F114-I320 HydrophobicContact CZ-CG1 4.46Å; F114-I320 HydrophobicContact CZ-CG2 4.18Å; R304-I320 WeakPolarHBondContact CA-O 3.08Å; F305-I320 HydrophobicContact CD1-CB 4.27Å; F305-I320 HydrophobicContact CD2-CB 4.42Å; F305-I320 HydrophobicContact CD2-CD1 4.31Å; F305-I320 HydrophobicContact CE1-CB 3.91Å; F305-I320 HydrophobicContact CE1-CG2 3.73Å; F305-I320 HydrophobicContact CE2-CB 4.08Å; F305-I320 HydrophobicContact CE2-CD1 3.57Å; F305-I320 HydrophobicContact CE2-CG1 4.31Å; F305-I320 HydrophobicContact CE2-CG2 4.4Å; F305-I320 HydrophobicContact CZ-CB 3.8Å; F305-I320 HydrophobicContact CZ-CD1 3.83Å; F305-I320 HydrophobicContact CZ-CG1 4.39Å; F305-I320 HydrophobicContact CZ-CG2 3.66Å; F305-I320 PolarHBondContact N-O 2.69Å; F305-I320 PolarHBondContact O-N 3.24Å; K307-I320 HydrophobicContact CD-CD1 3.86Å; K307-I320 HydrophobicContact CG-CD1 4.01Å; T318-I320 HydrophobicContact CG2-CG1 4.05Å
321	K	94.4	Very high	94.5	Very high	24 Å²	24	38.7 Å²	38.7	10%	0.104	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	112.6	169.5	-174.1	-176	-165.2	179.8	0	108.4	R112 E113 E177 Y302 R304 Y323	R112-K321 CarbonylContact C-O 3.46Å; R112-K321 WeakPolarHBondContact CA-O 3.33Å; E113-K321 HydrophobicContact CB-CB 4.25Å; E113-K321 PolarHBondContact N-O 3.32Å; E113-K321 PolarHBondContact O-N 3.15Å; E177-K321 VanDerWaalsContact OE1-CD 3.25Å; E177-K321 WeakPolarHBondContact OE1-CD 3.49Å; E177-K321 IonicContact OE1-NZ 3.86Å; E177-K321 PolarHBondContact OE1-NZ 2.8Å; Y302-K321 HydrophobicContact CD2-CD 4.41Å; Y302-K321 HydrophobicContact CD2-CG 4Å; R304-K321 HydrophobicContact CG-CB 4.14Å; R304-K321 HydrophobicContact CG-CG 4.02Å; R304-K321 VanDerWaalsContact NH2-CE 3.32Å; K321-Y323 HydrophobicContact CD-CE2 3.86Å; K321-Y323 WeakPolarHBondContact CE-OH 3.27Å; K321-Y323 HydrophobicContact CG-CE2 3.87Å; K321-Y323 PolarHBondContact NZ-OH 2.92Å; K321-Y323 VanDerWaalsContact NZ-OH 3.16Å
322	A	94.1	Very high	94.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.1	-175.6	0	0	0	0	0	110	T109 Y302 Y303 F305	T109-A322 HydrophobicContact CG2-CB 3.68Å; Y302-A322 CarbonylContact C-O 3.55Å; Y302-A322 WeakPolarHBondContact CA-O 3.36Å; Y302-A322 WeakPolarHBondContact CB-O 3.47Å; Y303-A322 HydrophobicContact CD1-CB 4.24Å; Y303-A322 HydrophobicContact CE1-CB 3.77Å; Y303-A322 HydrophobicContact CE2-CB 4.15Å; Y303-A322 PolarHBondContact N-O 3.32Å; Y303-A322 PolarHBondContact O-N 3.45Å; F305-A322 HydrophobicContact CE1-CB 3.98Å
323	Y	93.6	Very high	94.8	Very high	27 Å²	27	32.5 Å²	32.5	11%	0.106	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	136.4	171.1	-65.2	-94.9	0	0	0	108.7	L110 R111 E113 Y302 K321	L110-Y323 PolarHBondContact N-O 3.24Å; R111-Y323 PolarHBondContact N-O 2.82Å; R111-Y323 VanDerWaalsContact NH2-CD2 3.33Å; R111-Y323 VanDerWaalsContact NH2-CE2 3.26Å; R111-Y323 VanDerWaalsContact NH2-CZ 3.33Å; R111-Y323 PolarHBondContact O-N 2.86Å; E113-Y323 HydrophobicContact CG-CE2 4.06Å; Y302-Y323 AromaticContact CD1-CE1 3.96Å; Y302-Y323 HydrophobicContact CD1-CE1 3.96Å; Y302-Y323 HydrophobicContact CG-CD1 4.34Å; Y302-Y323 AromaticContact CG-CE1 3.95Å; Y302-Y323 HydrophobicContact CG-CE1 3.95Å; K321-Y323 HydrophobicContact CD-CE2 3.86Å; K321-Y323 WeakPolarHBondContact CE-OH 3.27Å; K321-Y323 HydrophobicContact CG-CE2 3.87Å; K321-Y323 PolarHBondContact NZ-OH 2.92Å; K321-Y323 VanDerWaalsContact NZ-OH 3.16Å
324	G	92.9	Very high	95	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.7	-175.5	-173.3	0	0	0	0	0	114.7	A108 G261 G262 Y301	A108-G324 CarbonylContact O-C 3.52Å; A108-G324 WeakPolarHBondContact O-CA 3.25Å; G261-G324 CarbonylContact C-O 3.33Å; G261-G324 WeakPolarHBondContact CA-O 3.2Å; G262-G324 PolarHBondContact N-O 3.44Å; Y301-G324 WeakPolarHBondContact CD1-O 3.4Å; Y301-G324 PolarHBondContact O-N 3.13Å
325	I	94.3	Very high	95.2	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	121.6	173.5	-62.2	166.9	0	0	0	107.8	S107 A108 L110 F254 L257 G262 I264 L327	S107-I325 CarbonylContact C-O 3.5Å; S107-I325 VanDerWaalsContact CA-O 3.28Å; S107-I325 WeakPolarHBondContact CA-O 3.44Å; A108-I325 PolarHBondContact N-O 2.73Å; A108-I325 PolarHBondContact O-N 2.83Å; L110-I325 HydrophobicContact CD1-CD1 3.66Å; L110-I325 HydrophobicContact CD1-CG1 3.67Å; F254-I325 HydrophobicContact CD2-CD1 4.22Å; F254-I325 HydrophobicContact CE2-CD1 3.75Å; L257-I325 HydrophobicContact CB-CD1 4.01Å; L257-I325 HydrophobicContact CB-CG1 4.01Å; L257-I325 HydrophobicContact CD1-CD1 3.79Å; L257-I325 HydrophobicContact CD1-CG1 4.2Å; L257-I325 HydrophobicContact CG-CD1 4.47Å; L257-I325 HydrophobicContact CG-CG1 4.49Å; G262-I325 WeakPolarHBondContact O-CA 3.38Å; I264-I325 HydrophobicContact CB-CG2 4.48Å; I264-I325 HydrophobicContact CD1-CG2 3.86Å; I264-I325 HydrophobicContact CG1-CG2 4.09Å; I325-L327 HydrophobicContact CG2-CD2 3.66Å; I325-L327 HydrophobicContact CG2-CG 4.27Å
326	R	95.3	Very high	95.2	Very high	79 Å²	79	25.2 Å²	25.2	30%	0.298	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.8	166.7	178.5	177.7	162.4	174.4	0.8	109.2	V105 G262 V263 I264 Y301 D328	V105-R326 HydrophobicContact CG1-CG 3.96Å; V105-R326 VanDerWaalsContact CG1-NE 3.26Å; G262-R326 PolarHBondContact O-N 2.82Å; V263-R326 CarbonylContact C-O 3.57Å; V263-R326 WeakPolarHBondContact CA-O 3.47Å; V263-R326 HydrophobicContact CG1-CB 4.32Å; V263-R326 HydrophobicContact CG1-CG 4.31Å; V263-R326 HydrophobicContact CG2-CB 4.29Å; I264-R326 PolarHBondContact N-O 2.74Å; Y301-R326 HydrophobicContact CD1-CB 3.83Å; Y301-R326 HydrophobicContact CD2-CB 4.28Å; Y301-R326 HydrophobicContact CE1-CB 3.68Å; Y301-R326 HydrophobicContact CE2-CB 4.15Å; Y301-R326 HydrophobicContact CG-CB 4.13Å; R326-D328 WeakPolarHBondContact CG-OD1 3.42Å; R326-D328 IonicContact CZ-OD1 3.13Å; R326-D328 IonicContact CZ-OD2 2.82Å; R326-D328 IonicContact NE-OD1 3.81Å; R326-D328 PolarHBondContact NE-OD1 2.02Å; R326-D328 IonicContact NE-OD2 3.94Å; R326-D328 IonicContact NH2-OD1 3.82Å; R326-D328 PolarHBondContact NH2-OD1 3.48Å; R326-D328 IonicContact NH2-OD2 2.92Å
327	L	96.5	Very high	95.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.8	175.2	-58.7	-179.8	0	0	0	109	V105 I106 V195 L243 I246 I264 V266 I325 I329	V105-L327 WeakPolarHBondContact CA-O 3.01Å; I106-L327 HydrophobicContact CG2-CB 4.04Å; I106-L327 HydrophobicContact CG2-CD1 4.42Å; I106-L327 PolarHBondContact N-O 3.16Å; I106-L327 WeakPolarHBondContact O-CA 3.48Å; I106-L327 WeakPolarHBondContact O-CB 3.44Å; I106-L327 PolarHBondContact O-N 3.44Å; V195-L327 HydrophobicContact CB-CD1 4.49Å; V195-L327 HydrophobicContact CG1-CD1 4.1Å; V195-L327 HydrophobicContact CG2-CD1 3.81Å; L243-L327 HydrophobicContact CD2-CD1 4.04Å; I246-L327 HydrophobicContact CD1-CD1 4.23Å; I246-L327 HydrophobicContact CG2-CD2 4.16Å; I264-L327 HydrophobicContact CB-CD2 3.95Å; I264-L327 HydrophobicContact CG2-CD2 4.45Å; I264-L327 VanDerWaalsContact O-CA 3.31Å; I264-L327 WeakPolarHBondContact O-CA 3.36Å; V266-L327 HydrophobicContact CG2-CD2 4.39Å; I325-L327 HydrophobicContact CG2-CD2 3.66Å; I325-L327 HydrophobicContact CG2-CG 4.27Å; L327-I329 HydrophobicContact CB-CD1 4.2Å
328	D	96.4	Very high	95.2	Very high	28 Å²	28	32.8 Å²	32.8	15%	0.15	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.1	174.3	-72.5	2.3	0	0	0	108.2	V105 I264 G265 V266 L290 R326 I330	V105-D328 WeakPolarHBondContact CG1-OD1 3.48Å; I264-D328 PolarHBondContact O-N 3.09Å; G265-D328 CarbonylContact C-O 3.54Å; G265-D328 WeakPolarHBondContact CA-O 2.94Å; V266-D328 PolarHBondContact N-O 3.04Å; L290-D328 HydrophobicContact CD1-CB 3.94Å; R326-D328 WeakPolarHBondContact CG-OD1 3.42Å; R326-D328 IonicContact CZ-OD1 3.13Å; R326-D328 IonicContact CZ-OD2 2.82Å; R326-D328 IonicContact NE-OD1 3.81Å; R326-D328 PolarHBondContact NE-OD1 2.02Å; R326-D328 IonicContact NE-OD2 3.94Å; R326-D328 IonicContact NH2-OD1 3.82Å; R326-D328 PolarHBondContact NH2-OD1 3.48Å; R326-D328 IonicContact NH2-OD2 2.92Å; D328-I330 PolarHBondContact O-N 3.42Å
329	I	96.8	Very high	95.2	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.041	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	106	-178.3	-62.2	76.8	0	0	0	108.1	V76 T78 D104 I106 I197 V266 I268 L327 V331	V76-I329 HydrophobicContact CG1-CB 4.07Å; V76-I329 HydrophobicContact CG1-CG1 4.44Å; V76-I329 HydrophobicContact CG1-CG2 3.76Å; V76-I329 HydrophobicContact CG2-CG2 4.09Å; T78-I329 HydrophobicContact CG2-CD1 3.68Å; T78-I329 HydrophobicContact CG2-CG1 3.96Å; D104-I329 WeakPolarHBondContact O-CB 3.26Å; D104-I329 WeakPolarHBondContact O-CD1 3.1Å; D104-I329 PolarHBondContact O-N 2.87Å; I106-I329 HydrophobicContact CG2-CD1 4.16Å; I197-I329 HydrophobicContact CD1-CG1 4.3Å; I197-I329 HydrophobicContact CG2-CG1 4.48Å; I197-I329 HydrophobicContact CG2-CG2 4.29Å; V266-I329 HydrophobicContact CB-CG1 4.3Å; V266-I329 WeakPolarHBondContact O-CA 3.15Å; I268-I329 HydrophobicContact CD1-CG2 3.68Å; I268-I329 HydrophobicContact CG1-CG2 4.21Å; L327-I329 HydrophobicContact CB-CD1 4.2Å; I329-V331 HydrophobicContact CG2-CG2 4.33Å
330	I	96	Very high	95.2	Very high	53 Å²	53	36.4 Å²	36.4	27%	0.272	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.6	-175.4	-58.5	166.8	0	0	0	108.2	V266 F267 I268 L290 D328 H332	V266-I330 PolarHBondContact O-N 3.03Å; F267-I330 CarbonylContact C-O 3.51Å; F267-I330 VanDerWaalsContact CA-O 3.3Å; F267-I330 WeakPolarHBondContact CA-O 3.28Å; F267-I330 HydrophobicContact CD1-CB 3.89Å; F267-I330 HydrophobicContact CD1-CD1 4.18Å; F267-I330 HydrophobicContact CD1-CG2 4.01Å; F267-I330 HydrophobicContact CE1-CB 4.13Å; F267-I330 HydrophobicContact CE1-CD1 3.56Å; F267-I330 HydrophobicContact CE1-CG1 4.44Å; F267-I330 HydrophobicContact CE1-CG2 4.17Å; F267-I330 HydrophobicContact CZ-CD1 3.88Å; I268-I330 PolarHBondContact N-O 2.84Å; L290-I330 HydrophobicContact CD1-CD1 4.31Å; D328-I330 PolarHBondContact O-N 3.42Å; I330-H332 WeakPolarHBondContact CG2-NE2 3.5Å
331	V	95.8	Very high	95.2	Very high	30 Å²	30	42 Å²	42	18%	0.182	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	124.2	-176.8	-173.4	0	0	0	0	109.6	V76 I201 I268 I329	V76-V331 HydrophobicContact CG2-CG2 3.6Å; I201-V331 HydrophobicContact CG2-CG1 3.8Å; I268-V331 HydrophobicContact CB-CG2 4.31Å; I268-V331 HydrophobicContact CD1-CG2 4.26Å; I268-V331 WeakPolarHBondContact O-CA 3.43Å; I329-V331 HydrophobicContact CG2-CG2 4.33Å
332	H	95.3	Very high	95.2	Very high	94 Å²	94	42.1 Å²	42.1	44%	0.435	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	144.9	169.8	-61.4	-57.9	0	0	0	108.9	F267 I268 N269 W270 I330	F267-H332 AromaticContact CD1-NE2 3.87Å; I268-H332 PolarHBondContact O-N 2.94Å; I268-H332 VanDerWaalsContact O-O 3.12Å; N269-H332 WeakPolarHBondContact CA-O 3.29Å; W270-H332 PolarHBondContact N-O 2.87Å; I330-H332 WeakPolarHBondContact CG2-NE2 3.5Å
333	G	93.8	Very high	95.3	Very high	7 Å²	7	43.6 Å²	43.6	7%	0.072	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	142	171.5	0	0	0	0	0	112.3	T70 P72 W270	T70-G333 CarbonylContact C-O 2.99Å; P72-G333 VanDerWaalsContact CD-O 3.24Å; P72-G333 WeakPolarHBondContact CD-O 3.43Å; W270-G333 CarbonylContact O-C 3.57Å; W270-G333 WeakPolarHBondContact O-CA 3.2Å
334	Q	94.7	Very high	95.4	Very high	97 Å²	97	47 Å²	47	45%	0.453	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	126.6	174.8	-178.8	172.8	-9.1	0	0	107.6	E69 T70 W270 C272	E69-Q334 WeakPolarHBondContact O-CA 3.49Å; T70-Q334 HydrophobicContact CG2-CG 4.31Å; W270-Q334 PolarHBondContact O-N 3.33Å; W270-Q334 VanDerWaalsContact O-O 3.11Å; C272-Q334 PolarHBondContact N-O 3.16Å
335	A	95.6	Very high	95.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.1	172.4	0	0	0	0	0	110.2	S68 E69 F203 F206 C272 L274	S68-A335 CarbonylContact C-O 3.53Å; S68-A335 VanDerWaalsContact CA-O 3.23Å; S68-A335 WeakPolarHBondContact CA-O 3.43Å; E69-A335 PolarHBondContact N-O 2.9Å; E69-A335 PolarHBondContact O-N 2.96Å; F203-A335 HydrophobicContact CD1-CB 3.54Å; F203-A335 HydrophobicContact CD2-CB 3.86Å; F203-A335 HydrophobicContact CE1-CB 3.45Å; F203-A335 VanDerWaalsContact CE1-CB 3.45Å; F203-A335 HydrophobicContact CE2-CB 3.76Å; F203-A335 HydrophobicContact CG-CB 3.75Å; F203-A335 HydrophobicContact CZ-CB 3.58Å; F206-A335 HydrophobicContact CD2-CB 3.95Å; F206-A335 HydrophobicContact CE2-CB 3.96Å; C272-A335 VanDerWaalsContact O-CA 3.28Å; C272-A335 WeakPolarHBondContact O-CA 3.31Å; L274-A335 HydrophobicContact CD1-CB 3.92Å; L274-A335 HydrophobicContact CG-CB 4.15Å
336	G	95.6	Very high	95.5	Very high	6 Å²	6	52.6 Å²	52.6	6%	0.062	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.8	169.8	0	0	0	0	0	110.4	Q67 C272 L274	Q67-G336 WeakPolarHBondContact O-CA 3.33Å; C272-G336 PolarHBondContact O-N 2.85Å; L274-G336 WeakPolarHBondContact CB-O 3.32Å; L274-G336 PolarHBondContact N-O 2.74Å
337	K	95.4	Very high	95.5	Very high	92 Å²	92	51.6 Å²	51.6	40%	0.4	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	140.5	172.9	-168.6	175.2	-178.9	176.2	0	110.1	Q66 Q67 F206 L274 S339	Q66-K337 CarbonylContact C-O 3.6Å; Q66-K337 VanDerWaalsContact CA-O 3.32Å; Q66-K337 WeakPolarHBondContact CA-O 3.44Å; Q67-K337 PolarHBondContact N-O 3.23Å; Q67-K337 PolarHBondContact O-N 2.83Å; F206-K337 HydrophobicContact CD1-CB 3.81Å; F206-K337 HydrophobicContact CD1-CD 3.91Å; F206-K337 HydrophobicContact CD1-CG 4.49Å; F206-K337 HydrophobicContact CE1-CB 3.68Å; F206-K337 HydrophobicContact CG-CB 4.39Å; F206-K337 HydrophobicContact CG-CD 4.46Å; F206-K337 HydrophobicContact CZ-CB 4.13Å; L274-K337 HydrophobicContact CB-CB 4.04Å; L274-K337 HydrophobicContact CB-CD 4.47Å; L274-K337 HydrophobicContact CB-CG 4.16Å; L274-K337 HydrophobicContact CD1-CB 4.21Å; K337-S339 PolarHBondContact O-N 3.24Å
338	F	95.8	Very high	95.5	Very high	108 Å²	108	55.2 Å²	55.2	47%	0.474	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.7	131.6	175.6	175.3	-94.8	0	0	0	111.2	Y65 D275 V340	Y65-F338 AromaticContact CD2-CD2 3.88Å; Y65-F338 HydrophobicContact CD2-CD2 3.88Å; D275-F338 WeakPolarHBondContact OD1-CB 3.4Å; D275-F338 PolarHBondContact OD1-N 3.1Å; D275-F338 PolarHBondContact OD2-N 2.04Å; F338-V340 HydrophobicContact CE1-CG2 3.91Å; F338-V340 HydrophobicContact CZ-CG2 4.27Å
339	S	95.9	Very high	95.4	Very high	21 Å²	21	57 Å²	57	15%	0.147	31%	0.305	C	S	.	.			trans	-142.8	136.5	174.4	-177.4	0	0	0	0	110.3	Y65 K337 I341 P342 T343	Y65-S339 PolarHBondContact O-N 3Å; K337-S339 PolarHBondContact O-N 3.24Å; S339-I341 VanDerWaalsContact C-N 3.32Å; S339-I341 PolarHBondContact O-N 3.2Å; S339-P342 WeakPolarHBondContact O-CD 3.35Å; S339-P342 WeakPolarHBondContact O-CG 3.29Å; S339-P342 WeakPolarHBondContact OG-CD 3.33Å; S339-T343 WeakPolarHBondContact O-CB 3.24Å; S339-T343 PolarHBondContact O-N 3.23Å; S339-T343 PolarHBondContact O-OG1 2.84Å
340	V	95.2	Very high	95.2	Very high	86 Å²	86	57.5 Å²	57.5	52%	0.521	31%	0.311	S	S	.	.	H	α-helix	trans	-66.2	-37	-175.9	178.7	0	0	0	0	111.2	F338 T343 I344	F338-V340 HydrophobicContact CE1-CG2 3.91Å; F338-V340 HydrophobicContact CZ-CG2 4.27Å; V340-T343 WeakPolarHBondContact O-CB 3.3Å; V340-T343 PolarHBondContact O-N 2.87Å; V340-I344 HydrophobicContact CG1-CD1 3.61Å; V340-I344 HydrophobicContact CG1-CG1 4.1Å; V340-I344 WeakPolarHBondContact O-CG1 3.5Å; V340-I344 PolarHBondContact O-N 2.75Å
341	I	95.3	Very high	95.1	Very high	119 Å²	119	61 Å²	61	61%	0.61	33%	0.329	S	S	*	.	H	α-helix	trans	-59.6	-59.4	-177	-61	172.9	0	0	0	112.2	S339 T343 I344 I345	S339-I341 VanDerWaalsContact C-N 3.32Å; S339-I341 PolarHBondContact O-N 3.2Å; I341-T343 PolarHBondContact O-N 3.41Å; I341-I344 PolarHBondContact O-N 3.18Å; I341-I345 HydrophobicContact CG2-CD1 3.98Å; I341-I345 WeakPolarHBondContact O-CG1 3.33Å; I341-I345 PolarHBondContact O-N 3.07Å
342	P	95.1	Very high	94.9	Very high	28 Å²	28	64 Å²	64	18%	0.182	35%	0.348	C	S	.	.	H	α-helix	trans	-65.8	-27.5	179.4	28.2	-36.9	0	0	0	112.6	A64 Q67 S339 S346	A64-P342 WeakPolarHBondContact O-CB 3.46Å; Q67-P342 HydrophobicContact CB-CG 4.42Å; S339-P342 WeakPolarHBondContact O-CD 3.35Å; S339-P342 WeakPolarHBondContact O-CG 3.29Å; S339-P342 WeakPolarHBondContact OG-CD 3.33Å; P342-S346 VanDerWaalsContact O-CB 3.28Å; P342-S346 WeakPolarHBondContact O-CB 3.31Å; P342-S346 PolarHBondContact O-N 2.68Å; P342-S346 PolarHBondContact O-OG 3.38Å
343	T	95.3	Very high	94.8	Very high	30 Å²	30	60.7 Å²	60.7	18%	0.184	34%	0.335	C	S	.	.	H	α-helix	trans	-63.7	-47.5	173	-56.4	0	0	0	0	111.7	Y65 S339 V340 I341 S346 T347	Y65-T343 WeakPolarHBondContact CA-OG1 3.3Å; Y65-T343 WeakPolarHBondContact CB-OG1 3.4Å; Y65-T343 PolarHBondContact O-OG1 2.83Å; Y65-T343 VanDerWaalsContact O-OG1 3.1Å; S339-T343 WeakPolarHBondContact O-CB 3.24Å; S339-T343 PolarHBondContact O-N 3.23Å; S339-T343 PolarHBondContact O-OG1 2.84Å; V340-T343 WeakPolarHBondContact O-CB 3.3Å; V340-T343 PolarHBondContact O-N 2.87Å; I341-T343 PolarHBondContact O-N 3.41Å; T343-S346 PolarHBondContact O-N 3.1Å; T343-T347 WeakPolarHBondContact O-CB 3.36Å; T343-T347 PolarHBondContact O-N 3.26Å; T343-T347 PolarHBondContact O-OG1 3.27Å
344	I	96.6	Very high	94.7	Very high	98 Å²	98	62.1 Å²	62.1	50%	0.503	34%	0.342	S	S	.	.	H	α-helix	trans	-62.7	-48.3	177.2	-70.1	171.8	0	0	0	110.2	V340 I341 S346 T347 V348	V340-I344 HydrophobicContact CG1-CD1 3.61Å; V340-I344 HydrophobicContact CG1-CG1 4.1Å; V340-I344 WeakPolarHBondContact O-CG1 3.5Å; V340-I344 PolarHBondContact O-N 2.75Å; I341-I344 PolarHBondContact O-N 3.18Å; I344-S346 PolarHBondContact O-N 3.02Å; I344-T347 PolarHBondContact O-N 3.09Å; I344-V348 HydrophobicContact CG2-CG2 4.26Å; I344-V348 WeakPolarHBondContact O-CG2 3.02Å; I344-V348 PolarHBondContact O-N 2.91Å
345	I	95.6	Very high	94.3	Very high	102 Å²	102	59.1 Å²	59.1	52%	0.523	34%	0.338	S	S	.	.	H	α-helix	trans	-57.2	-50.6	179.7	-65.7	169.1	0	0	0	110.1	I341 T347 V348 T349	I341-I345 HydrophobicContact CG2-CD1 3.98Å; I341-I345 WeakPolarHBondContact O-CG1 3.33Å; I341-I345 PolarHBondContact O-N 3.07Å; I345-T347 VanDerWaalsContact C-N 3.29Å; I345-T347 PolarHBondContact O-N 3.1Å; I345-V348 PolarHBondContact O-N 2.84Å; I345-T349 PolarHBondContact O-N 2.93Å; I345-T349 PolarHBondContact O-OG1 2.83Å
346	S	94.5	Very high	94	Very high	18 Å²	18	63.6 Å²	63.6	13%	0.126	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-35.1	179.7	-57.7	0	0	0	0	112.6	A64 P342 T343 I344 A350	A64-S346 WeakPolarHBondContact CB-OG 3.36Å; A64-S346 PolarHBondContact O-OG 2.78Å; P342-S346 VanDerWaalsContact O-CB 3.28Å; P342-S346 WeakPolarHBondContact O-CB 3.31Å; P342-S346 PolarHBondContact O-N 2.68Å; P342-S346 PolarHBondContact O-OG 3.38Å; T343-S346 PolarHBondContact O-N 3.1Å; I344-S346 PolarHBondContact O-N 3.02Å; S346-A350 WeakPolarHBondContact O-CB 3.36Å; S346-A350 PolarHBondContact O-N 2.88Å
347	T	94.6	Very high	93.6	Very high	58 Å²	58	63.3 Å²	63.3	36%	0.356	36%	0.358	S	S	.	.	H	α-helix	trans	-68.6	-44.3	176.1	-56.7	0	0	0	0	111.1	T343 I344 I345 A350 L351	T343-T347 WeakPolarHBondContact O-CB 3.36Å; T343-T347 PolarHBondContact O-N 3.26Å; T343-T347 PolarHBondContact O-OG1 3.27Å; I344-T347 PolarHBondContact O-N 3.09Å; I345-T347 VanDerWaalsContact C-N 3.29Å; I345-T347 PolarHBondContact O-N 3.1Å; T347-A350 WeakPolarHBondContact O-CB 3.27Å; T347-A350 PolarHBondContact O-N 2.86Å; T347-L351 HydrophobicContact CG2-CD1 4.28Å; T347-L351 WeakPolarHBondContact O-CG 3.47Å; T347-L351 PolarHBondContact O-N 3.46Å
348	V	95.8	Very high	93.3	Very high	77 Å²	77	61.3 Å²	61.3	47%	0.467	36%	0.355	S	S	.	.	H	α-helix	trans	-61.4	-45.6	175.2	171.4	0	0	0	0	110.2	I344 I345 A350 L351 T352	I344-V348 HydrophobicContact CG2-CG2 4.26Å; I344-V348 WeakPolarHBondContact O-CG2 3.02Å; I344-V348 PolarHBondContact O-N 2.91Å; I345-V348 PolarHBondContact O-N 2.84Å; V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 3.34Å; V348-L351 PolarHBondContact O-N 3.29Å; V348-T352 HydrophobicContact CG1-CG2 4.34Å; V348-T352 WeakPolarHBondContact O-CG2 3.49Å; V348-T352 PolarHBondContact O-N 2.9Å; V348-T352 PolarHBondContact O-OG1 3.02Å; V348-T352 VanDerWaalsContact O-OG1 3.13Å
349	T	94.2	Very high	93	Very high	66 Å²	66	61.7 Å²	61.7	41%	0.405	36%	0.361	S	S	.	.	H	α-helix	trans	-60	-39.8	175.5	-54.8	0	0	0	0	112.1	F54 I345 T352 S353	F54-T349 HydrophobicContact CE1-CG2 4.33Å; I345-T349 PolarHBondContact O-N 2.93Å; I345-T349 PolarHBondContact O-OG1 2.83Å; T349-T352 WeakPolarHBondContact CA-OG1 3.49Å; T349-T352 PolarHBondContact O-OG1 3.39Å; T349-T352 VanDerWaalsContact O-OG1 3.08Å; T349-S353 VanDerWaalsContact O-CB 3.25Å; T349-S353 WeakPolarHBondContact O-CB 3.39Å; T349-S353 PolarHBondContact O-N 3.14Å; T349-S353 PolarHBondContact O-OG 3.12Å
350	A	93.5	Very high	92.6	Very high	18 Å²	18	63.9 Å²	63.9	15%	0.149	37%	0.37	C	S	.	.	H	α-helix	trans	-63.6	-45.9	175	0	0	0	0	0	111.6	F54 S346 T347 V348 S353 V354	F54-A350 HydrophobicContact CB-CB 4.07Å; F54-A350 HydrophobicContact CD1-CB 3.53Å; F54-A350 HydrophobicContact CD2-CB 4.17Å; F54-A350 HydrophobicContact CE1-CB 3.99Å; F54-A350 HydrophobicContact CG-CB 3.65Å; F54-A350 HydrophobicContact CZ-CB 4.5Å; S346-A350 WeakPolarHBondContact O-CB 3.36Å; S346-A350 PolarHBondContact O-N 2.88Å; T347-A350 WeakPolarHBondContact O-CB 3.27Å; T347-A350 PolarHBondContact O-N 2.86Å; V348-A350 VanDerWaalsContact C-N 3.31Å; V348-A350 PolarHBondContact O-N 3.34Å; A350-S353 PolarHBondContact O-N 3.22Å; A350-V354 PolarHBondContact O-N 3.2Å
351	L	93.1	Very high	92.3	Very high	125 Å²	125	60.2 Å²	60.2	65%	0.654	35%	0.348	S	S	*	.	H	α-helix	trans	-64.1	-43.7	179.6	-71.1	172.6	0	0	0	112.4	T347 V348 S353 V354	T347-L351 HydrophobicContact CG2-CD1 4.28Å; T347-L351 WeakPolarHBondContact O-CG 3.47Å; T347-L351 PolarHBondContact O-N 3.46Å; V348-L351 PolarHBondContact O-N 3.29Å; L351-S353 VanDerWaalsContact C-N 3.33Å; L351-S353 PolarHBondContact O-N 3.2Å; L351-V354 PolarHBondContact O-N 2.82Å
352	T	92.8	Very high	92	Very high	95 Å²	95	57.3 Å²	57.3	58%	0.583	33%	0.334	S	S	*	.	H	α-helix	trans	-67.2	-35.9	177.3	55.2	0	0	0	0	111.7	V348 T349 V354 G355	V348-T352 HydrophobicContact CG1-CG2 4.34Å; V348-T352 WeakPolarHBondContact O-CG2 3.49Å; V348-T352 PolarHBondContact O-N 2.9Å; V348-T352 PolarHBondContact O-OG1 3.02Å; V348-T352 VanDerWaalsContact O-OG1 3.13Å; T349-T352 WeakPolarHBondContact CA-OG1 3.49Å; T349-T352 PolarHBondContact O-OG1 3.39Å; T349-T352 VanDerWaalsContact O-OG1 3.08Å; T352-V354 VanDerWaalsContact C-N 3.26Å; T352-V354 PolarHBondContact O-N 2.95Å; T352-G355 PolarHBondContact O-N 3.01Å
353	S	92.6	Very high	91.7	Very high	24 Å²	24	63.3 Å²	63.3	17%	0.168	35%	0.353	C	S	.	.	H	α-helix	trans	-66.7	-24.4	178.5	-61.2	0	0	0	0	113.5	F54 T349 A350 L351 G355 I356	F54-S353 VanDerWaalsContact CE2-CB 3.44Å; F54-S353 VanDerWaalsContact CZ-OG 3.32Å; F54-S353 WeakPolarHBondContact CZ-OG 3.31Å; T349-S353 VanDerWaalsContact O-CB 3.25Å; T349-S353 WeakPolarHBondContact O-CB 3.39Å; T349-S353 PolarHBondContact O-N 3.14Å; T349-S353 PolarHBondContact O-OG 3.12Å; A350-S353 PolarHBondContact O-N 3.22Å; L351-S353 VanDerWaalsContact C-N 3.33Å; L351-S353 PolarHBondContact O-N 3.2Å; S353-G355 PolarHBondContact O-N 2.88Å; S353-I356 WeakPolarHBondContact O-CB 3.38Å; S353-I356 PolarHBondContact O-N 3Å; S353-I356 VanDerWaalsContact O-N 3.08Å
354	V	90.9	Very high	91.3	Very high	36 Å²	36	63.4 Å²	63.4	22%	0.218	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-26.5	171.3	175.8	0	0	0	0	111.3	Q47 V50 I51 A350 L351 T352 I356 C357	Q47-V354 HydrophobicContact CG-CG1 4.24Å; V50-V354 HydrophobicContact CG1-CG2 4.5Å; I51-V354 HydrophobicContact CG1-CG2 4.36Å; A350-V354 PolarHBondContact O-N 3.2Å; L351-V354 PolarHBondContact O-N 2.82Å; T352-V354 VanDerWaalsContact C-N 3.26Å; T352-V354 PolarHBondContact O-N 2.95Å; V354-I356 PolarHBondContact O-N 2.99Å; V354-C357 WeakPolarHBondContact O-CB 3.41Å; V354-C357 PolarHBondContact O-N 2.9Å; V354-C357 PolarHBondContact O-SG 2.89Å
355	G	87.6	Confident	90.8	Very high	35 Å²	35	58.8 Å²	58.8	36%	0.361	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-25.7	173.9	0	0	0	0	0	114	T352 S353 C357 S358	T352-G355 PolarHBondContact O-N 3.01Å; S353-G355 PolarHBondContact O-N 2.88Å; G355-C357 PolarHBondContact O-N 2.82Å; G355-S358 PolarHBondContact O-N 3.5Å; G355-S358 VanDerWaalsContact O-N 3.14Å; G355-S358 PolarHBondContact O-OG 2.94Å
356	I	88.3	Confident	90.3	Very high	94 Å²	94	56.8 Å²	56.8	48%	0.482	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-28.4	174.7	-61.2	170.9	0	0	0	110.7	S353 V354 S358 I359 I360	S353-I356 WeakPolarHBondContact O-CB 3.38Å; S353-I356 PolarHBondContact O-N 3Å; S353-I356 VanDerWaalsContact O-N 3.08Å; V354-I356 PolarHBondContact O-N 2.99Å; I356-S358 VanDerWaalsContact C-N 3.3Å; I356-S358 PolarHBondContact O-N 2.77Å; I356-I359 PolarHBondContact O-N 3.49Å; I356-I360 HydrophobicContact CG2-CD1 3.85Å; I356-I360 HydrophobicContact CG2-CG1 4.29Å; I356-I360 WeakPolarHBondContact O-CG1 3.32Å; I356-I360 PolarHBondContact O-N 2.9Å; I356-I360 VanDerWaalsContact O-N 3.1Å
357	C	88.8	Confident	89.9	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-62.1	-36.5	178.1	-54.4	0	0	0	0	112.3	Y43 V46 Q47 V354 G355 C361	Y43-C357 HydrophobicContact CD2-CB 4.5Å; Y43-C357 HydrophobicContact CE2-CB 4.23Å; V46-C357 HydrophobicContact CG1-CB 4.13Å; Q47-C357 HydrophobicContact CG-CB 3.94Å; V354-C357 WeakPolarHBondContact O-CB 3.41Å; V354-C357 PolarHBondContact O-N 2.9Å; V354-C357 PolarHBondContact O-SG 2.89Å; G355-C357 PolarHBondContact O-N 2.82Å; C357-C361 WeakPolarHBondContact O-CB 2.98Å; C357-C361 PolarHBondContact O-N 2.77Å; C357-C361 PolarHBondContact O-SG 3.27Å
358	S	88.5	Confident	89.3	Confident	50 Å²	50	62.8 Å²	62.8	35%	0.35	34%	0.344	S	S	.	.	H	α-helix	trans	-70.4	-38.6	179	58.1	0	0	0	0	111.5	G355 I356 C361 D362	G355-S358 PolarHBondContact O-N 3.5Å; G355-S358 VanDerWaalsContact O-N 3.14Å; G355-S358 PolarHBondContact O-OG 2.94Å; I356-S358 VanDerWaalsContact C-N 3.3Å; I356-S358 PolarHBondContact O-N 2.77Å; S358-C361 PolarHBondContact O-N 3.19Å; S358-D362 VanDerWaalsContact O-CB 3.22Å; S358-D362 WeakPolarHBondContact O-CB 3.01Å; S358-D362 PolarHBondContact O-N 3.3Å
359	I	89.6	Confident	88.5	Confident	116 Å²	116	61.2 Å²	61.2	60%	0.595	33%	0.333	S	S	*	.	H	α-helix	trans	-62.2	-46.6	176.4	-59.3	174.1	0	0	0	110.6	I356 D362 W363	I356-I359 PolarHBondContact O-N 3.49Å; I359-D362 PolarHBondContact O-N 3.21Å; I359-W363 PolarHBondContact O-N 2.85Å
360	I	87.9	Confident	87.6	Confident	67 Å²	67	59.2 Å²	59.2	34%	0.344	32%	0.32	S	S	.	.	H	α-helix	trans	-63.4	-44.1	178.4	-66.2	170.9	0	0	0	110.7	V46 I356 W363 I364	V46-I360 HydrophobicContact CG1-CD1 4.43Å; I356-I360 HydrophobicContact CG2-CD1 3.85Å; I356-I360 HydrophobicContact CG2-CG1 4.29Å; I356-I360 WeakPolarHBondContact O-CG1 3.32Å; I356-I360 PolarHBondContact O-N 2.9Å; I356-I360 VanDerWaalsContact O-N 3.1Å; I360-W363 PolarHBondContact O-N 3.17Å; I360-I364 HydrophobicContact CG2-CD1 3.84Å; I360-I364 HydrophobicContact CG2-CG1 4.49Å; I360-I364 VanDerWaalsContact O-CG1 3.28Å; I360-I364 WeakPolarHBondContact O-CG1 3.48Å; I360-I364 PolarHBondContact O-N 3.46Å
361	C	87.7	Confident	86.4	Confident	8 Å²	8	67.1 Å²	67.1	5%	0.054	35%	0.35	C	S	.	.	H	α-helix	trans	-70.6	-33.4	-179.7	-67.9	0	0	0	0	112.6	L39 Y43 C357 S358 I364 M365	L39-C361 HydrophobicContact CD1-CB 4.37Å; Y43-C361 WeakPolarHBondContact CA-SG 3.16Å; Y43-C361 HydrophobicContact CD2-CB 3.99Å; C357-C361 WeakPolarHBondContact O-CB 2.98Å; C357-C361 PolarHBondContact O-N 2.77Å; C357-C361 PolarHBondContact O-SG 3.27Å; S358-C361 PolarHBondContact O-N 3.19Å; C361-I364 PolarHBondContact O-N 3.35Å; C361-M365 WeakPolarHBondContact O-CB 3.39Å; C361-M365 PolarHBondContact O-N 3.13Å
362	D	88.7	Confident	85.1	Confident	59 Å²	59	67.6 Å²	67.6	32%	0.316	35%	0.354	S	S	.	.	H	α-helix	trans	-62.6	-44.2	171.7	-84	-23.4	0	0	0	111.3	S358 I359 M365 L366 K379	S358-D362 VanDerWaalsContact O-CB 3.22Å; S358-D362 WeakPolarHBondContact O-CB 3.01Å; S358-D362 PolarHBondContact O-N 3.3Å; I359-D362 PolarHBondContact O-N 3.21Å; D362-M365 PolarHBondContact O-N 2.99Å; D362-L366 WeakPolarHBondContact O-CB 3.26Å; D362-L366 WeakPolarHBondContact O-CG 3.36Å; D362-L366 PolarHBondContact O-N 2.03Å; D362-K379 IonicContact OD1-NZ 3.32Å; D362-K379 PolarHBondContact OD1-NZ 3.38Å; D362-K379 IonicContact OD2-NZ 3.94Å; D362-K379 PolarHBondContact OD2-NZ 2.84Å
363	W	88.9	Confident	84.2	Confident	154 Å²	154	69 Å²	69	58%	0.583	35%	0.354	S	S	*	.	H	α-helix	trans	-63.1	-45.4	175.6	178.6	73.9	0	0	0	111.9	I359 I360 M365 T367 F368	I359-W363 PolarHBondContact O-N 2.85Å; I360-W363 PolarHBondContact O-N 3.17Å; W363-M365 VanDerWaalsContact C-N 3.33Å; W363-M365 PolarHBondContact O-N 2.92Å; W363-T367 WeakPolarHBondContact O-CB 3.43Å; W363-T367 PolarHBondContact O-N 3.35Å; W363-T367 PolarHBondContact O-OG1 3.43Å; W363-F368 AromaticContact CH2-CE2 3.85Å; W363-F368 HydrophobicContact CH2-CE2 3.85Å; W363-F368 HydrophobicContact CH2-CZ 4.34Å; W363-F368 HydrophobicContact CZ2-CE2 4.38Å; W363-F368 HydrophobicContact CZ3-CE2 4Å
364	I	87.1	Confident	83.4	Confident	32 Å²	32	70.7 Å²	70.7	16%	0.164	36%	0.363	C	S	.	.	H	α-helix	trans	-62.3	-42.8	176.5	-68	168.5	0	0	0	110.9	I42 I360 C361 F368 I369	I42-I364 HydrophobicContact CD1-CG2 4.42Å; I42-I364 HydrophobicContact CG2-CD1 3.86Å; I360-I364 HydrophobicContact CG2-CD1 3.84Å; I360-I364 HydrophobicContact CG2-CG1 4.49Å; I360-I364 VanDerWaalsContact O-CG1 3.28Å; I360-I364 WeakPolarHBondContact O-CG1 3.48Å; I360-I364 PolarHBondContact O-N 3.46Å; C361-I364 PolarHBondContact O-N 3.35Å; I364-F368 HydrophobicContact CG2-CD2 4.41Å; I364-F368 WeakPolarHBondContact O-CB 3.37Å; I364-F368 PolarHBondContact O-N 3.48Å; I364-I369 HydrophobicContact CG2-CD1 4.41Å
365	M	86.7	Confident	82.7	Confident	1 Å²	1	71.4 Å²	71.4	1%	0.005	36%	0.362	C	S	.	.	I	π-helix	trans	-60.7	-55.8	179.5	178.5	-165.9	75.9	0	0	111.1	I34 L39 C361 D362 W363 T367 I369 D370 Y375 K379	I34-M365 HydrophobicContact CD1-CE 4.41Å; I34-M365 HydrophobicContact CD1-SD 3.14Å; I34-M365 WeakPolarHBondContact CD1-SD 3.35Å; I34-M365 HydrophobicContact CG1-SD 4.47Å; L39-M365 HydrophobicContact CD1-CB 4.26Å; L39-M365 HydrophobicContact CD2-CB 4.02Å; L39-M365 HydrophobicContact CD2-CG 3.93Å; L39-M365 HydrophobicContact CD2-SD 4.22Å; C361-M365 WeakPolarHBondContact O-CB 3.39Å; C361-M365 PolarHBondContact O-N 3.13Å; D362-M365 PolarHBondContact O-N 2.99Å; W363-M365 VanDerWaalsContact C-N 3.33Å; W363-M365 PolarHBondContact O-N 2.92Å; M365-T367 VanDerWaalsContact C-N 3.32Å; M365-T367 PolarHBondContact O-N 2.86Å; M365-I369 PolarHBondContact O-N 3.48Å; M365-I369 VanDerWaalsContact O-N 3.09Å; M365-D370 PolarHBondContact O-N 2.74Å; M365-Y375 HydrophobicContact CG-CD2 4.46Å; M365-Y375 HydrophobicContact CG-CG 4.4Å; M365-Y375 HydrophobicContact SD-CG 4.25Å; M365-K379 HydrophobicContact CE-CD 4.08Å
366	L	85.8	Confident	82.1	Confident	59 Å²	59	71 Å²	71	31%	0.309	35%	0.354	S	S	.	.	I	π-helix	trans	-66.7	-32.5	-176.4	-69.2	171.3	0	0	0	112.3	D362 F380	D362-L366 WeakPolarHBondContact O-CB 3.26Å; D362-L366 WeakPolarHBondContact O-CG 3.36Å; D362-L366 PolarHBondContact O-N 2.03Å; L366-F380 HydrophobicContact CD1-CE2 4.16Å; L366-F380 HydrophobicContact CD1-CZ 4.15Å; L366-F380 HydrophobicContact CD2-CE2 4.06Å
367	T	84.3	Confident	81.7	Confident	77 Å²	77	73.2 Å²	73.2	47%	0.472	36%	0.362	S	S	.	.	I	π-helix	trans	-86.4	-40.3	-175.8	-49.1	0	0	0	0	113	W363 M365	W363-T367 WeakPolarHBondContact O-CB 3.43Å; W363-T367 PolarHBondContact O-N 3.35Å; W363-T367 PolarHBondContact O-OG1 3.43Å; M365-T367 VanDerWaalsContact C-N 3.32Å; M365-T367 PolarHBondContact O-N 2.86Å
368	F	81.8	Confident	81.3	Confident	126 Å²	126	81.9 Å²	81.9	55%	0.553	40%	0.395	S	S	*	.	I	π-helix	trans	-115.6	-23.8	-167.8	-62.7	-74.5	0	0	0	114.9	W363 I364	W363-F368 AromaticContact CH2-CE2 3.85Å; W363-F368 HydrophobicContact CH2-CE2 3.85Å; W363-F368 HydrophobicContact CH2-CZ 4.34Å; W363-F368 HydrophobicContact CZ2-CE2 4.38Å; W363-F368 HydrophobicContact CZ3-CE2 4Å; I364-F368 HydrophobicContact CG2-CD2 4.41Å; I364-F368 WeakPolarHBondContact O-CB 3.37Å; I364-F368 PolarHBondContact O-N 3.48Å
369	I	79.4	Confident	81	Confident	44 Å²	44	82.9 Å²	82.9	23%	0.226	39%	0.393	C	S	.	.	I	π-helix	trans	-106.5	-27	-172.2	-58.7	-179.2	0	0	0	111.6	L39 I364 M365 K371 Y375	L39-I369 HydrophobicContact CB-CD1 3.94Å; L39-I369 HydrophobicContact CD1-CD1 3.92Å; L39-I369 HydrophobicContact CG-CD1 4.35Å; I364-I369 HydrophobicContact CG2-CD1 4.41Å; M365-I369 PolarHBondContact O-N 3.48Å; M365-I369 VanDerWaalsContact O-N 3.09Å; I369-K371 PolarHBondContact O-N 3.41Å; I369-Y375 HydrophobicContact CG2-CE2 3.99Å
370	D	76.3	Confident	80.8	Confident	24 Å²	24	82.7 Å²	82.7	13%	0.128	39%	0.388	C	S	.	.			trans	-78.8	51.9	-176.3	-157.8	23.4	0	0	0	114	M365 N372 E373 V374 Y375 S376	M365-D370 PolarHBondContact O-N 2.74Å; D370-N372 PolarHBondContact O-N 3Å; D370-E373 PolarHBondContact O-N 2.64Å; D370-E373 WeakPolarHBondContact OD1-CA 3.23Å; D370-E373 PolarHBondContact OD1-N 2.79Å; D370-V374 PolarHBondContact OD1-N 2.57Å; D370-Y375 HydrophobicContact CB-CD2 4.46Å; D370-Y375 WeakPolarHBondContact OD1-CB 3.24Å; D370-Y375 PolarHBondContact OD1-N 3.1Å; D370-S376 WeakPolarHBondContact OD2-CB 3.33Å; D370-S376 PolarHBondContact OD2-N 3.04Å; D370-S376 PolarHBondContact OD2-OG 3.01Å
371	K	66.9	Low	80.5	Confident	183 Å²	183	86.4 Å²	86.4	80%	0.796	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.7	-176	-69.1	-172.7	177.2	-176	0	114.8	I369	I369-K371 PolarHBondContact O-N 3.41Å
372	N	66.5	Low	79.9	Confident	136 Å²	136	94.8 Å²	94.8	73%	0.727	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	15.5	-177.3	-67	-1.6	0	0	0	112.4	D370 V374	D370-N372 PolarHBondContact O-N 3Å; N372-V374 HydrophobicContact CB-CG2 3.89Å; N372-V374 PolarHBondContact O-N 2.71Å
373	E	73.7	Confident	79.4	Confident	125 Å²	125	97.7 Å²	97.7	58%	0.584	47%	0.467	S	S	*	.	S	Bend	trans	57.6	11.4	-179.5	-62.8	177.6	174.8	0	0	115.5	D370 Y375 S376 E377	D370-E373 PolarHBondContact O-N 2.64Å; D370-E373 WeakPolarHBondContact OD1-CA 3.23Å; D370-E373 PolarHBondContact OD1-N 2.79Å; E373-Y375 PolarHBondContact O-N 3.45Å; E373-S376 WeakPolarHBondContact CA-OG 3.33Å; E373-S376 WeakPolarHBondContact CB-OG 3.49Å; E373-S376 PolarHBondContact O-N 2.93Å; E373-S376 PolarHBondContact O-OG 2.83Å; E373-E377 WeakPolarHBondContact O-CB 3.23Å; E373-E377 WeakPolarHBondContact O-CG 3.49Å; E373-E377 PolarHBondContact O-N 3.43Å
374	V	75.9	Confident	78.5	Confident	58 Å²	58	96.2 Å²	96.2	35%	0.352	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-28.4	-178.6	178.6	0	0	0	0	111.8	D370 N372 R378	D370-V374 PolarHBondContact OD1-N 2.57Å; N372-V374 HydrophobicContact CB-CG2 3.89Å; N372-V374 PolarHBondContact O-N 2.71Å; V374-R378 WeakPolarHBondContact O-CD 3.37Å; V374-R378 WeakPolarHBondContact O-CG 3.3Å
375	Y	76.2	Confident	77.4	Confident	51 Å²	51	103.8 Å²	103.8	20%	0.2	51%	0.506	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-33.9	179.9	-60.9	-64.8	0	0	0	112.3	I34 N36 M365 I369 D370 E373 K379	I34-Y375 HydrophobicContact CB-CE1 4.45Å; I34-Y375 HydrophobicContact CD1-CD1 4.27Å; I34-Y375 HydrophobicContact CG1-CD1 4.05Å; I34-Y375 HydrophobicContact CG1-CE1 4.17Å; I34-Y375 HydrophobicContact CG2-CD1 4.17Å; I34-Y375 HydrophobicContact CG2-CE1 3.5Å; I34-Y375 VanDerWaalsContact CG2-CE1 3.5Å; N36-Y375 PolarHBondContact ND2-OH 2.91Å; M365-Y375 HydrophobicContact CG-CD2 4.46Å; M365-Y375 HydrophobicContact CG-CG 4.4Å; M365-Y375 HydrophobicContact SD-CG 4.25Å; I369-Y375 HydrophobicContact CG2-CE2 3.99Å; D370-Y375 HydrophobicContact CB-CD2 4.46Å; D370-Y375 WeakPolarHBondContact OD1-CB 3.24Å; D370-Y375 PolarHBondContact OD1-N 3.1Å; E373-Y375 PolarHBondContact O-N 3.45Å; Y375-K379 VanDerWaalsContact O-CB 3.26Å; Y375-K379 WeakPolarHBondContact O-CB 3.42Å; Y375-K379 PolarHBondContact O-N 2.69Å
376	S	76.3	Confident	76.1	Confident	28 Å²	28	111.5 Å²	111.5	20%	0.196	54%	0.542	C	S	.	.	H	α-helix	trans	-65.6	-48.1	173.9	56.7	0	0	0	0	112	D370 E373 R378 K379 F380	D370-S376 WeakPolarHBondContact OD2-CB 3.33Å; D370-S376 PolarHBondContact OD2-N 3.04Å; D370-S376 PolarHBondContact OD2-OG 3.01Å; E373-S376 WeakPolarHBondContact CA-OG 3.33Å; E373-S376 WeakPolarHBondContact CB-OG 3.49Å; E373-S376 PolarHBondContact O-N 2.93Å; E373-S376 PolarHBondContact O-OG 2.83Å; S376-R378 PolarHBondContact O-N 2.87Å; S376-K379 PolarHBondContact O-N 2.8Å; S376-F380 WeakPolarHBondContact O-CD2 3.22Å; S376-F380 PolarHBondContact O-N 2.87Å
377	E	79.5	Confident	74.4	Confident	139 Å²	139	114.6 Å²	114.6	65%	0.65	57%	0.566	S	S	*	*	H	α-helix	trans	-59.4	-30.2	178.9	-75.8	-176.7	169.2	0	0	113.2	E373	E373-E377 WeakPolarHBondContact O-CB 3.23Å; E373-E377 WeakPolarHBondContact O-CG 3.49Å; E373-E377 PolarHBondContact O-N 3.43Å
378	R	80.2	Confident	72.5	Confident	183 Å²	183	117 Å²	117	69%	0.691	58%	0.581	S	S	*	*	H	α-helix	trans	-89.1	-17.5	179.5	-67.6	-178.2	-175.6	-177.4	2.9	113.6	M32 V374 S376	M32-R378 HydrophobicContact SD-CB 3.73Å; V374-R378 WeakPolarHBondContact O-CD 3.37Å; V374-R378 WeakPolarHBondContact O-CG 3.3Å; S376-R378 PolarHBondContact O-N 2.87Å
379	K	81.9	Confident	70.6	Confident	70 Å²	70	118.3 Å²	118.3	30%	0.304	59%	0.593	S	S	.	*	H	α-helix	trans	-94.4	-34.7	-179.2	-175.1	171.3	-177.6	171.5	0	111.8	M32 D362 M365 Y375 S376	M32-K379 HydrophobicContact CE-CB 3.93Å; M32-K379 HydrophobicContact CE-CG 4.4Å; D362-K379 IonicContact OD1-NZ 3.32Å; D362-K379 PolarHBondContact OD1-NZ 3.38Å; D362-K379 IonicContact OD2-NZ 3.94Å; D362-K379 PolarHBondContact OD2-NZ 2.84Å; M365-K379 HydrophobicContact CE-CD 4.08Å; Y375-K379 VanDerWaalsContact O-CB 3.26Å; Y375-K379 WeakPolarHBondContact O-CB 3.42Å; Y375-K379 PolarHBondContact O-N 2.69Å; S376-K379 PolarHBondContact O-N 2.8Å
380	F	85.3	Confident	68.6	Low	113 Å²	113	122.1 Å²	122.1	50%	0.496	62%	0.619	S	S	.	*			trans	-113.6	121.4	-177	-57.7	-71	0	0	0	110.1	L366 S376	L366-F380 HydrophobicContact CD1-CE2 4.16Å; L366-F380 HydrophobicContact CD1-CZ 4.15Å; L366-F380 HydrophobicContact CD2-CE2 4.06Å; S376-F380 WeakPolarHBondContact O-CD2 3.22Å; S376-F380 PolarHBondContact O-N 2.87Å
381	D	80.8	Confident	66.7	Low	144 Å²	144	128.2 Å²	128.2	77%	0.77	65%	0.65	S	S	*	*			trans	-88.7	115.7	167.3	-68.4	-38.5	0	0	0	108	V383	D381-V383 PolarHBondContact O-N 3.2Å; D381-V383 VanDerWaalsContact O-N 3.16Å
382	E	75.4	Confident	65.1	Low	184 Å²	184	129 Å²	129	86%	0.86	65%	0.648	S	S	*	*			trans	-72.3	106.6	175.4	-70.8	-170.1	166.2	0	0	110.3	T384	E382-T384 PolarHBondContact O-N 2.87Å
383	V	78.9	Confident	63.4	Low	121 Å²	121	128.2 Å²	128.2	73%	0.733	65%	0.648	S	S	*	*			trans	-91	98.8	175	-175.5	0	0	0	0	109	D381 K385	D381-V383 PolarHBondContact O-N 3.2Å; D381-V383 VanDerWaalsContact O-N 3.16Å; V383-K385 PolarHBondContact O-N 3.21Å
384	T	69.5	Low	61.4	Low	122 Å²	122	128.5 Å²	128.5	75%	0.748	65%	0.649	S	S	*	*			trans	-76	106	166.8	-46	0	0	0	0	107.6	E382 E386	E382-T384 PolarHBondContact O-N 2.87Å; T384-E386 PolarHBondContact O-N 3.2Å
385	K	64.5	Low	59.2	Low	192 Å²	192	135.5 Å²	135.5	84%	0.835	68%	0.676	S	S	*	*			trans	-71.1	94.5	171.5	-71.6	-175.3	179.8	179.7	0	108.2	V383	V383-K385 PolarHBondContact O-N 3.21Å
386	E	59.5	Low	56.9	Low	163 Å²	163	136.6 Å²	136.6	76%	0.762	69%	0.69	S	S	*	*			trans	-60.5	130.6	161.1	-70.3	-166.1	165.8	0	0	108	T384 T388	T384-E386 PolarHBondContact O-N 3.2Å; E386-T388 PolarHBondContact O-N 3Å
387	P	49.4	Very low	54.8	Low	124 Å²	124	143.4 Å²	143.4	81%	0.805	72%	0.717	S	S	*	*			trans	-61.4	107.8	175.5	24.4	-30.4	0	0	0	107.5	D389	P387-D389 PolarHBondContact O-N 2.85Å
388	T	45.6	Very low	52.5	Low	127 Å²	127	143.5 Å²	143.5	78%	0.779	72%	0.721	S	S	*	*			trans	-67.7	102.6	173.7	-38.9	0	0	0	0	106.6	E386 T390	E386-T388 PolarHBondContact O-N 3Å; T388-T390 PolarHBondContact O-N 3.17Å; T388-T390 PolarHBondContact O-OG1 3.46Å
389	D	41.1	Very low	49.9	Very low	153 Å²	153	139.1 Å²	139.1	82%	0.818	72%	0.718	S	S	*	*			trans	-50.9	110.8	167.5	-102.1	-27.3	0	0	0	107.5	P387 I391	P387-D389 PolarHBondContact O-N 2.85Å; D389-I391 PolarHBondContact O-N 3.45Å
390	T	36.8	Very low	47.3	Very low	125 Å²	125	140.2 Å²	140.2	77%	0.767	73%	0.734	S	S	*	*			trans	-70.9	96.4	-178.5	-36.3	0	0	0	0	106.3	T388 R392	T388-T390 PolarHBondContact O-N 3.17Å; T388-T390 PolarHBondContact O-OG1 3.46Å; T390-R392 PolarHBondContact O-N 2.85Å
391	I	36.3	Very low	44.6	Very low	151 Å²	151	145.6 Å²	145.6	77%	0.774	75%	0.753	S	S	*	*			trans	-65.7	92.3	160.2	-61.5	-179.2	0	0	0	105.8	D389 T393	D389-I391 PolarHBondContact O-N 3.45Å; I391-T393 PolarHBondContact O-N 3.38Å
392	R	34.1	Very low	42	Very low	200 Å²	200	141.8 Å²	141.8	76%	0.755	75%	0.748	S	S	*	*			trans	-53.9	102.3	159.6	-103.7	178.8	159	179.6	-8.7	107.1	T390 E394	T390-R392 PolarHBondContact O-N 2.85Å; R392-E394 IonicContact CZ-OE1 2.91Å; R392-E394 IonicContact NE-OE1 2.72Å; R392-E394 IonicContact NH2-OE1 3.81Å
393	T	31.6	Very low	39.7	Very low	119 Å²	119	138 Å²	138	73%	0.73	74%	0.742	S	S	*	*			trans	-102.6	88.3	151.2	-34.3	0	0	0	0	106.3	I391 F395	I391-T393 PolarHBondContact O-N 3.38Å; T393-F395 PolarHBondContact O-N 3.2Å
394	E	31.6	Very low	37.3	Very low	131 Å²	131	138.4 Å²	138.4	61%	0.612	74%	0.74	S	S	*	*			trans	-61.1	117.1	163.2	-74.1	-178	166.5	0	0	108.4	R392	R392-E394 IonicContact CZ-OE1 2.91Å; R392-E394 IonicContact NE-OE1 2.72Å; R392-E394 IonicContact NH2-OE1 3.81Å
395	F	28.8	Very low	35.3	Very low	206 Å²	206	140.6 Å²	140.6	90%	0.904	74%	0.741	S	S	*	*			trans	-126.5	85	143.6	-109.5	-80.6	0	0	0	107.5	T393	T393-F395 PolarHBondContact O-N 3.2Å
396	S	29	Very low	33.7	Very low	73 Å²	73	135.3 Å²	135.3	51%	0.51	73%	0.728	S	S	.	*			trans	-67.5	141.5	161.3	47.1	0	0	0	0	110.3
397	F	30.7	Very low	32.2	Very low	171 Å²	171	135 Å²	135	75%	0.75	73%	0.732	S	S	*	*				170.9	108.2	112	-96.4	-86	0	0	0	109.5
398	I	31.6	Very low	31.4	Very low	142 Å²	142	136.8 Å²	136.8	73%	0.728	73%	0.734	S	S	*	*				77.5	126.9	104	-67	-164.8	0	0	0	112.5
399	S	26.3	Very low	30.8	Very low	91 Å²	91	136.2 Å²	136.2	64%	0.636	74%	0.735	S	S	*	*				-164.9	143.7	51.4	87.8	0	0	0	0	110.8
400	S	27.7	Very low	30.5	Very low	92 Å²	92	135.7 Å²	135.7	64%	0.643	73%	0.732	S	S	*	*				74.5	140.4	105	91.9	0	0	0	0	114.7
401	Y	28.2	Very low	30.2	Very low	226 Å²	226	133.1 Å²	133.1	89%	0.886	73%	0.73	S	S	*	*			cis	-165	152.2	31.5	-122.4	-79.2	0	0	0	109.6
402	G	25.9	Very low	30	Very low	65 Å²	65	132.5 Å²	132.5	67%	0.67	73%	0.733	S	S	*	*			trans	81.8	101.7	141.4	0	0	0	0	0	118.3
403	S	27.1	Very low	30.2	Very low	104 Å²	104	128.4 Å²	128.4	73%	0.727	73%	0.733	S	S	*	*				81	109.7	78	-157.2	0	0	0	0	114.2
404	N	27.5	Very low	30.3	Very low	130 Å²	130	134.8 Å²	134.8	70%	0.695	76%	0.761	S	S	*	*				171	127.1	106.6	-90.2	-15.1	0	0	0	111.6
405	H	28	Very low	30.3	Very low	167 Å²	167	135 Å²	135	77%	0.773	77%	0.768	S	S	*	*			trans	57.9	139.9	138.5	-81.8	-89.1	0	0	0	119.4
406	S	30.1	Very low	30.3	Very low	81 Å²	81	131.2 Å²	131.2	57%	0.566	76%	0.761	S	S	*	*			cis	173.7	141.6	-9.7	38.3	0	0	0	0	104
407	D	28.8	Very low	30.4	Very low	158 Å²	158	134.4 Å²	134.4	85%	0.845	78%	0.775	S	S	*	*			trans	173.7	94.8	151.2	-86	-16.2	0	0	0	103.8
408	L	32.5	Very low	30.4	Very low	161 Å²	161	132.3 Å²	132.3	84%	0.843	78%	0.777	S	S	*	*				46.8	83.6	62.5	-137.4	103.3	0	0	0	112.1
409	S	33.7	Very low	30.3	Very low	114 Å²	114	131.7 Å²	131.7	80%	0.797	78%	0.78	S	S	*	*				-168.6	125.5	111.3	-170.3	0	0	0	0	110.6
410	D	33.4	Very low	30.6	Very low	142 Å²	142	134.4 Å²	134.4	76%	0.759	79%	0.789	S	S	*	*			trans	-49.6	147.9	175.8	-63.9	-59.9	0	0	0	114.7
411	G	31.2	Very low	30.8	Very low	71 Å²	71	137.4 Å²	137.4	73%	0.732	80%	0.8	S	S	*	*			trans	-73.9	161.4	149.5	0	0	0	0	0	111.4
412	V	31.4	Very low	31	Very low	138 Å²	138	130.6 Å²	130.6	84%	0.836	79%	0.793	S	S	*	*			trans	-132.9	136.7	151.3	178.3	0	0	0	0	107.1
413	P	38.3	Very low	31.4	Very low	115 Å²	115	136.1 Å²	136.1	75%	0.747	80%	0.803	S	S	*	*			trans	-85.5	160.6	179	34.2	-32.8	0	0	0	113.1
414	L	35	Very low	31.8	Very low	252 Å²	252	139 Å²	139	100%	1.319	81%	0.81	S	S	*	*			trans	101.2	0	179.6	-72.4	164.8	0	0	0	115.3

Retrieved 414 of 414 residues in 276.1 ms (Link to these results)

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