G4VQJ0_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession G4VQJ0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 144 aa.

						>G4VQJ0_SCHMA|G4VQJ0
MLLLSAHLQGFLNHQESPADLQVAVRRSLARLGSVLQTGDTVVQSSSHPNKSKAVVASALVYSLTRTLVQSHEAAISIYAFDSFIIRSQACSENQKFIPRIFLYGDSYISNHINVIQFKSVNSTVYNNVSVEFKITYSLNQIDQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39	Very low	36.7	Very low	192 Å²	192	83.6 Å²	83.6	95%	0.946	46%	0.461	S	S	*	.				0	2	0	-143.9	176.3	92.1	0	0	115.1
2	L	32.2	Very low	37	Very low	148 Å²	148	81.1 Å²	81.1	78%	0.775	45%	0.446	S	S	*	.			trans	-97.1	-23.3	-173.6	-84.8	154.7	0	0	0	115.6	S5 A6	L2-S5 PolarHBondContact O-OG 2.8Å; L2-S5 VanDerWaalsContact O-OG 3.07Å; L2-A6 PolarHBondContact O-N 3.13Å
3	L	34.8	Very low	37.8	Very low	118 Å²	118	84.6 Å²	84.6	62%	0.618	46%	0.464	S	S	*	.	H	α-helix	trans	-82.4	-36.1	-176.1	-89.6	133.3	0	0	0	113.1	H7	L3-H7 PolarHBondContact O-N 3.26Å; L3-H7 PolarHBondContact O-ND1 3.29Å
4	L	32.4	Very low	38.7	Very low	29 Å²	29	85.9 Å²	85.9	15%	0.152	47%	0.465	C	S	.	.	H	α-helix	trans	-71.7	-37.5	179.8	-156.7	77.7	0	0	0	111.2	L8 L32 V42 V55	L4-L8 HydrophobicContact CD2-CD1 4.46Å; L4-L8 HydrophobicContact CG-CD1 4.11Å; L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 WeakPolarHBondContact O-CD1 3.45Å; L4-L8 PolarHBondContact O-N 2.88Å; L4-L32 HydrophobicContact CD1-CD2 3.53Å; L4-V42 HydrophobicContact CD1-CG1 4.38Å; L4-V42 HydrophobicContact CD1-CG2 4.06Å; L4-V42 HydrophobicContact CD2-CG1 4.29Å; L4-V55 HydrophobicContact CD2-CG1 3.94Å
5	S	32.8	Very low	39.4	Very low	51 Å²	51	93.7 Å²	93.7	36%	0.357	50%	0.497	S	S	.	.	H	α-helix	trans	-64.8	-44.8	175.9	58.5	0	0	0	0	111.7	L2 H7 L8 Q9	L2-S5 PolarHBondContact O-OG 2.8Å; L2-S5 VanDerWaalsContact O-OG 3.07Å; S5-H7 PolarHBondContact O-N 3.04Å; S5-L8 PolarHBondContact O-N 3.49Å; S5-Q9 VanDerWaalsContact O-CB 3.29Å; S5-Q9 WeakPolarHBondContact O-CB 3.41Å; S5-Q9 PolarHBondContact O-N 2.92Å
6	A	33.6	Very low	40.2	Very low	63 Å²	63	92.4 Å²	92.4	52%	0.521	49%	0.487	S	S	.	.	H	α-helix	trans	-64.8	-40.7	179.7	0	0	0	0	0	112.8	L2 Q9 G10	L2-A6 PolarHBondContact O-N 3.13Å; A6-Q9 PolarHBondContact O-N 2.74Å; A6-G10 PolarHBondContact O-N 3.43Å
7	H	37	Very low	41	Very low	114 Å²	114	90.1 Å²	90.1	53%	0.528	48%	0.48	S	S	.	.	H	α-helix	trans	-68.6	-38.4	176.7	-75.1	97.6	0	0	0	112.4	L3 S5 F11	L3-H7 PolarHBondContact O-N 3.26Å; L3-H7 PolarHBondContact O-ND1 3.29Å; S5-H7 PolarHBondContact O-N 3.04Å; H7-F11 WeakPolarHBondContact O-CB 3.46Å; H7-F11 PolarHBondContact O-N 3.02Å
8	L	37.3	Very low	41.3	Very low	38 Å²	38	88.9 Å²	88.9	20%	0.199	48%	0.479	C	S	.	.	H	α-helix	trans	-68.5	-38.9	172.4	-86.5	153.9	0	0	0	111.9	L4 S5 F11 L12 A59	L4-L8 HydrophobicContact CD2-CD1 4.46Å; L4-L8 HydrophobicContact CG-CD1 4.11Å; L4-L8 WeakPolarHBondContact O-CB 3.29Å; L4-L8 WeakPolarHBondContact O-CD1 3.45Å; L4-L8 PolarHBondContact O-N 2.88Å; S5-L8 PolarHBondContact O-N 3.49Å; L8-F11 WeakPolarHBondContact O-CB 3.46Å; L8-F11 PolarHBondContact O-N 3.3Å; L8-L12 WeakPolarHBondContact O-CB 2.96Å; L8-L12 WeakPolarHBondContact O-CG 3.47Å; L8-L12 PolarHBondContact O-N 3.1Å; L8-A59 HydrophobicContact CD1-CB 3.96Å; L8-A59 HydrophobicContact CD2-CB 4.25Å
9	Q	39.3	Very low	41.7	Very low	113 Å²	113	87.5 Å²	87.5	53%	0.528	48%	0.48	S	S	.	.	H	α-helix	trans	-64.6	-42.2	179.7	-146	96.8	21.4	0	0	111.9	S5 A6 F11 L12 N13	S5-Q9 VanDerWaalsContact O-CB 3.29Å; S5-Q9 WeakPolarHBondContact O-CB 3.41Å; S5-Q9 PolarHBondContact O-N 2.92Å; A6-Q9 PolarHBondContact O-N 2.74Å; Q9-F11 VanDerWaalsContact C-N 3.32Å; Q9-L12 PolarHBondContact O-N 3.39Å; Q9-N13 PolarHBondContact O-N 3.46Å; Q9-N13 VanDerWaalsContact O-N 3.13Å
10	G	43.2	Very low	42.3	Very low	36 Å²	36	87.4 Å²	87.4	37%	0.371	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-40.5	174.6	0	0	0	0	0	111.8	A6 H14	A6-G10 PolarHBondContact O-N 3.43Å; G10-H14 PolarHBondContact O-CD2 2.71Å
11	F	41.8	Very low	42.5	Very low	18 Å²	18	83.4 Å²	83.4	8%	0.079	46%	0.457	C	S	.	.	H	α-helix	trans	-65.3	-37.2	173.9	-176.9	-99.4	0	0	0	112.6	H7 L8 Q9 L21 A24 V25 S63 R66	H7-F11 WeakPolarHBondContact O-CB 3.46Å; H7-F11 PolarHBondContact O-N 3.02Å; L8-F11 WeakPolarHBondContact O-CB 3.46Å; L8-F11 PolarHBondContact O-N 3.3Å; Q9-F11 VanDerWaalsContact C-N 3.32Å; F11-L21 HydrophobicContact CE2-CD1 4.3Å; F11-L21 HydrophobicContact CZ-CD1 4.11Å; F11-A24 HydrophobicContact CD2-CB 4.46Å; F11-A24 HydrophobicContact CE2-CB 4.18Å; F11-V25 HydrophobicContact CE1-CG2 4.33Å; F11-V25 HydrophobicContact CE2-CG2 3.47Å; F11-V25 VanDerWaalsContact CE2-CG2 3.47Å; F11-V25 HydrophobicContact CZ-CG2 3.2Å; F11-S63 WeakPolarHBondContact CE1-OG 3.14Å; F11-R66 PolarHBondContact O-NH1 2.72Å
12	L	40	Very low	42.9	Very low	53 Å²	53	76.5 Å²	76.5	28%	0.277	42%	0.423	S	S	.	.	H	α-helix	trans	-67.7	-35.2	179.7	-75.1	167.3	0	0	0	113.2	L8 Q9 Y62 R66	L8-L12 WeakPolarHBondContact O-CB 2.96Å; L8-L12 WeakPolarHBondContact O-CG 3.47Å; L8-L12 PolarHBondContact O-N 3.1Å; Q9-L12 PolarHBondContact O-N 3.39Å; L12-Y62 HydrophobicContact CD2-CE1 3.38Å; L12-Y62 WeakPolarHBondContact CD2-OH 3.44Å; L12-R66 PolarHBondContact O-NH1 3.27Å; L12-R66 PolarHBondContact O-NH2 2.83Å
13	N	48.4	Very low	43.9	Very low	127 Å²	127	72.8 Å²	72.8	68%	0.679	41%	0.406	S	S	*	.	H	α-helix	trans	-86.6	-6.6	-170.5	-73.9	-13.4	0	0	0	115.5	Q9	Q9-N13 PolarHBondContact O-N 3.46Å; Q9-N13 VanDerWaalsContact O-N 3.13Å
14	H	50.4	Low	44.6	Very low	103 Å²	103	68.1 Å²	68.1	48%	0.477	39%	0.385	S	S	.	.			trans	-86.6	119	-178.6	-83.4	-56.9	0	0	0	113	G10 E16	G10-H14 PolarHBondContact O-CD2 2.71Å; H14-E16 HydrophobicContact CB-CB 4.37Å; H14-E16 HydrophobicContact CB-CG 3.91Å; H14-E16 IonicContact CD2-OE1 3.92Å; H14-E16 IonicContact CG-OE1 3.66Å; H14-E16 IonicContact ND1-OE1 3.84Å; H14-E16 PolarHBondContact O-N 3.32Å; H14-E16 VanDerWaalsContact O-N 3.16Å
15	Q	48.9	Very low	45.5	Very low	202 Å²	202	66.9 Å²	66.9	94%	0.944	38%	0.378	S	S	*	.			trans	-80.1	59.9	161.8	-72.2	-167.4	-23.4	0	0	110
16	E	52.1	Low	46.3	Very low	73 Å²	73	72.5 Å²	72.5	34%	0.341	39%	0.392	S	S	.	.			trans	-84.9	153.6	-178.9	-88.8	176.1	-171.4	0	0	111.9	H14 D20	H14-E16 HydrophobicContact CB-CB 4.37Å; H14-E16 HydrophobicContact CB-CG 3.91Å; H14-E16 IonicContact CD2-OE1 3.92Å; H14-E16 IonicContact CG-OE1 3.66Å; H14-E16 IonicContact ND1-OE1 3.84Å; H14-E16 PolarHBondContact O-N 3.32Å; H14-E16 VanDerWaalsContact O-N 3.16Å; E16-D20 HydrophobicContact CB-CB 3.86Å; E16-D20 HydrophobicContact CG-CB 4.17Å
17	S	53.2	Low	47.3	Very low	53 Å²	53	77.5 Å²	77.5	37%	0.371	40%	0.397	S	S	.	.			trans	-58.8	154	175.8	80.4	0	0	0	0	110.5	A19 D20 L21	S17-A19 PolarHBondContact O-N 2.99Å; S17-A19 VanDerWaalsContact O-N 3.08Å; S17-D20 WeakPolarHBondContact CB-OD2 3.07Å; S17-D20 PolarHBondContact O-N 3.13Å; S17-D20 PolarHBondContact OG-N 2.79Å; S17-D20 PolarHBondContact OG-OD2 2.76Å; S17-L21 WeakPolarHBondContact O-CB 3.19Å; S17-L21 PolarHBondContact O-N 3.14Å
18	P	46.7	Very low	48	Very low	70 Å²	70	73.7 Å²	73.7	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-54	-33.4	-179.4	-27.8	35	0	0	0	114.1	Q22	P18-Q22 WeakPolarHBondContact O-CG 3.34Å; P18-Q22 PolarHBondContact O-N 3.44Å; P18-Q22 VanDerWaalsContact O-N 3.12Å
19	A	49.6	Very low	48.7	Very low	62 Å²	62	72.5 Å²	72.5	51%	0.512	38%	0.377	S	S	.	.	H	α-helix	trans	-70.7	-44.2	176.6	0	0	0	0	0	112.2	S17 L21 Q22 V23	S17-A19 PolarHBondContact O-N 2.99Å; S17-A19 VanDerWaalsContact O-N 3.08Å; A19-L21 VanDerWaalsContact C-N 3.3Å; A19-L21 PolarHBondContact O-N 2.91Å; A19-Q22 PolarHBondContact O-N 3.43Å; A19-V23 PolarHBondContact O-N 3.14Å; A19-V23 VanDerWaalsContact O-N 3.13Å
20	D	52.5	Low	49.2	Very low	85 Å²	85	70.2 Å²	70.2	46%	0.455	38%	0.377	S	S	.	.	H	α-helix	trans	-63.7	-39.9	176.9	-65.6	-41.5	0	0	0	110.9	E16 S17 Q22 V23 A24	E16-D20 HydrophobicContact CB-CB 3.86Å; E16-D20 HydrophobicContact CG-CB 4.17Å; S17-D20 WeakPolarHBondContact CB-OD2 3.07Å; S17-D20 PolarHBondContact O-N 3.13Å; S17-D20 PolarHBondContact OG-N 2.79Å; S17-D20 PolarHBondContact OG-OD2 2.76Å; D20-Q22 PolarHBondContact O-N 3.23Å; D20-V23 PolarHBondContact O-N 2.99Å; D20-A24 VanDerWaalsContact O-CB 3.28Å; D20-A24 WeakPolarHBondContact O-CB 3.41Å; D20-A24 PolarHBondContact O-N 2.81Å
21	L	48.2	Very low	49.6	Very low	4 Å²	4	76.1 Å²	76.1	2%	0.021	39%	0.388	C	S	.	.	H	α-helix	trans	-62.3	-40.8	175.1	-173.1	83.6	0	0	0	112.3	F11 S17 A19 V23 A24 V25 T67 Q70	F11-L21 HydrophobicContact CE2-CD1 4.3Å; F11-L21 HydrophobicContact CZ-CD1 4.11Å; S17-L21 WeakPolarHBondContact O-CB 3.19Å; S17-L21 PolarHBondContact O-N 3.14Å; A19-L21 VanDerWaalsContact C-N 3.3Å; A19-L21 PolarHBondContact O-N 2.91Å; L21-V23 VanDerWaalsContact C-N 3.33Å; L21-V23 PolarHBondContact O-N 3.09Å; L21-A24 PolarHBondContact O-N 3.28Å; L21-V25 WeakPolarHBondContact O-CB 3.43Å; L21-V25 WeakPolarHBondContact O-CG2 3.44Å; L21-V25 PolarHBondContact O-N 3.29Å; L21-T67 HydrophobicContact CD2-CG2 4.19Å; L21-Q70 HydrophobicContact CD2-CB 3.74Å; L21-Q70 HydrophobicContact CD2-CG 4.26Å
22	Q	46.1	Very low	50	Low	46 Å²	46	76.3 Å²	76.3	22%	0.215	39%	0.39	C	S	.	.	H	α-helix	trans	-62.3	-41.8	174.9	-76.5	-172	12.6	0	0	111.6	P18 A19 D20 R26 T67 E73	P18-Q22 WeakPolarHBondContact O-CG 3.34Å; P18-Q22 PolarHBondContact O-N 3.44Å; P18-Q22 VanDerWaalsContact O-N 3.12Å; A19-Q22 PolarHBondContact O-N 3.43Å; D20-Q22 PolarHBondContact O-N 3.23Å; Q22-R26 WeakPolarHBondContact O-CB 3.16Å; Q22-R26 WeakPolarHBondContact O-CG 3.31Å; Q22-R26 PolarHBondContact O-N 2.95Å; Q22-T67 HydrophobicContact CG-CG2 3.73Å; Q22-E73 PolarHBondContact NE2-OE2 3.44Å
23	V	53.9	Low	50.3	Low	70 Å²	70	74.5 Å²	74.5	42%	0.424	39%	0.385	S	S	.	.	H	α-helix	trans	-67.2	-43.4	176.1	175.6	0	0	0	0	110.8	A19 D20 L21 V25 R26 R27	A19-V23 PolarHBondContact O-N 3.14Å; A19-V23 VanDerWaalsContact O-N 3.13Å; D20-V23 PolarHBondContact O-N 2.99Å; L21-V23 VanDerWaalsContact C-N 3.33Å; L21-V23 PolarHBondContact O-N 3.09Å; V23-V25 VanDerWaalsContact C-N 3.33Å; V23-V25 PolarHBondContact O-N 2.97Å; V23-R26 PolarHBondContact O-N 3.28Å; V23-R27 HydrophobicContact CG1-CG 4.45Å; V23-R27 WeakPolarHBondContact O-CB 3.27Å; V23-R27 WeakPolarHBondContact O-CG 3.37Å; V23-R27 PolarHBondContact O-N 3.43Å
24	A	50.1	Low	50.4	Low	21 Å²	21	71 Å²	71	17%	0.174	37%	0.37	C	S	.	.	H	α-helix	trans	-63.5	-38.3	177.5	0	0	0	0	0	111.8	F11 D20 L21 S28	F11-A24 HydrophobicContact CD2-CB 4.46Å; F11-A24 HydrophobicContact CE2-CB 4.18Å; D20-A24 VanDerWaalsContact O-CB 3.28Å; D20-A24 WeakPolarHBondContact O-CB 3.41Å; D20-A24 PolarHBondContact O-N 2.81Å; L21-A24 PolarHBondContact O-N 3.28Å; A24-S28 WeakPolarHBondContact O-CB 3.26Å; A24-S28 PolarHBondContact O-N 3.21Å; A24-S28 PolarHBondContact O-OG 3.44Å
25	V	50	Low	50.1	Low	3 Å²	3	68 Å²	68	2%	0.018	36%	0.359	C	S	.	.	H	α-helix	trans	-67.1	-50.3	171.6	164.4	0	0	0	0	110.6	F11 L21 V23 R27 S28 L29 L64 T67	F11-V25 HydrophobicContact CE1-CG2 4.33Å; F11-V25 HydrophobicContact CE2-CG2 3.47Å; F11-V25 VanDerWaalsContact CE2-CG2 3.47Å; F11-V25 HydrophobicContact CZ-CG2 3.2Å; L21-V25 WeakPolarHBondContact O-CB 3.43Å; L21-V25 WeakPolarHBondContact O-CG2 3.44Å; L21-V25 PolarHBondContact O-N 3.29Å; V23-V25 VanDerWaalsContact C-N 3.33Å; V23-V25 PolarHBondContact O-N 2.97Å; V25-R27 VanDerWaalsContact C-N 3.26Å; V25-R27 PolarHBondContact O-N 2.79Å; V25-S28 CarbonylContact O-C 3.55Å; V25-S28 PolarHBondContact O-N 3.46Å; V25-S28 VanDerWaalsContact O-N 3.11Å; V25-L29 HydrophobicContact CG1-CD1 3.5Å; V25-L29 VanDerWaalsContact CG1-CD1 3.5Å; V25-L29 HydrophobicContact CG1-CD2 4.49Å; V25-L29 HydrophobicContact CG1-CG 3.79Å; V25-L29 VanDerWaalsContact O-CB 3.28Å; V25-L29 WeakPolarHBondContact O-CB 3.44Å; V25-L29 WeakPolarHBondContact O-CG 3.47Å; V25-L29 PolarHBondContact O-N 3.29Å; V25-L64 HydrophobicContact CG1-CD2 4.02Å; V25-T67 WeakPolarHBondContact CG2-OG1 3.11Å
26	R	51	Low	49.7	Very low	168 Å²	168	60.9 Å²	60.9	63%	0.634	33%	0.327	S	S	*	.	H	α-helix	trans	-56.8	-40.7	177.1	-74.3	178.6	-175.7	-166.9	3.9	112.3	Q22 V23 A30	Q22-R26 WeakPolarHBondContact O-CB 3.16Å; Q22-R26 WeakPolarHBondContact O-CG 3.31Å; Q22-R26 PolarHBondContact O-N 2.95Å; V23-R26 PolarHBondContact O-N 3.28Å; R26-A30 VanDerWaalsContact O-CB 3.24Å; R26-A30 WeakPolarHBondContact O-CB 3.22Å; R26-A30 PolarHBondContact O-N 2.94Å
27	R	54.3	Low	49.1	Very low	168 Å²	168	64.5 Å²	64.5	63%	0.634	34%	0.344	S	S	*	.	H	α-helix	trans	-67.2	-43.7	175.1	-75.3	179.2	-179.9	175.4	2	112.2	V23 V25 A30 R31	V23-R27 HydrophobicContact CG1-CG 4.45Å; V23-R27 WeakPolarHBondContact O-CB 3.27Å; V23-R27 WeakPolarHBondContact O-CG 3.37Å; V23-R27 PolarHBondContact O-N 3.43Å; V25-R27 VanDerWaalsContact C-N 3.26Å; V25-R27 PolarHBondContact O-N 2.79Å; R27-A30 PolarHBondContact O-N 3.3Å; R27-R31 WeakPolarHBondContact O-CB 3.33Å; R27-R31 VanDerWaalsContact O-CG 3.3Å; R27-R31 WeakPolarHBondContact O-CG 3.3Å; R27-R31 PolarHBondContact O-N 2.79Å
28	S	52.1	Low	48.5	Very low	34 Å²	34	65.7 Å²	65.7	24%	0.238	35%	0.349	C	S	.	.	H	α-helix	trans	-65.6	-41.5	176.9	-63.9	0	0	0	0	111.4	A24 V25 R31 L32	A24-S28 WeakPolarHBondContact O-CB 3.26Å; A24-S28 PolarHBondContact O-N 3.21Å; A24-S28 PolarHBondContact O-OG 3.44Å; V25-S28 CarbonylContact O-C 3.55Å; V25-S28 PolarHBondContact O-N 3.46Å; V25-S28 VanDerWaalsContact O-N 3.11Å; S28-R31 PolarHBondContact O-N 3.4Å; S28-L32 WeakPolarHBondContact O-CB 3.32Å; S28-L32 WeakPolarHBondContact O-CD1 3.4Å; S28-L32 WeakPolarHBondContact O-CG 3.31Å; S28-L32 PolarHBondContact O-N 3.07Å
29	L	51.1	Low	47.9	Very low	14 Å²	14	64.9 Å²	64.9	7%	0.073	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-44.5	173.6	-67.6	173.1	0	0	0	111	V25 L32 G33 L60 L64 Y79	V25-L29 HydrophobicContact CG1-CD1 3.5Å; V25-L29 VanDerWaalsContact CG1-CD1 3.5Å; V25-L29 HydrophobicContact CG1-CD2 4.49Å; V25-L29 HydrophobicContact CG1-CG 3.79Å; V25-L29 VanDerWaalsContact O-CB 3.28Å; V25-L29 WeakPolarHBondContact O-CB 3.44Å; V25-L29 WeakPolarHBondContact O-CG 3.47Å; V25-L29 PolarHBondContact O-N 3.29Å; L29-L32 PolarHBondContact O-N 2.93Å; L29-G33 PolarHBondContact O-N 3.44Å; L29-L60 HydrophobicContact CD2-CB 4.26Å; L29-L60 HydrophobicContact CD2-CD2 3.28Å; L29-L60 HydrophobicContact CD2-CG 4.32Å; L29-L60 HydrophobicContact CG-CD2 4.45Å; L29-L64 HydrophobicContact CD1-CD2 3.93Å; L29-L64 HydrophobicContact CD2-CD2 4.44Å; L29-L64 HydrophobicContact CD2-CG 4.35Å; L29-Y79 HydrophobicContact CD1-CD1 3.85Å; L29-Y79 HydrophobicContact CD1-CE1 3.4Å
30	A	50.4	Low	47.3	Very low	64 Å²	64	68.4 Å²	68.4	53%	0.529	36%	0.364	S	S	.	.	H	α-helix	trans	-65.4	-41.8	177.1	0	0	0	0	0	111.8	R26 R27 G33 S34	R26-A30 VanDerWaalsContact O-CB 3.24Å; R26-A30 WeakPolarHBondContact O-CB 3.22Å; R26-A30 PolarHBondContact O-N 2.94Å; R27-A30 PolarHBondContact O-N 3.3Å; A30-G33 PolarHBondContact O-N 3.14Å; A30-S34 PolarHBondContact O-N 3.49Å; A30-S34 PolarHBondContact O-OG 3.03Å
31	R	51.7	Low	46.5	Very low	160 Å²	160	68.8 Å²	68.8	60%	0.604	37%	0.369	S	S	*	.	H	α-helix	trans	-68.1	-40.9	175.9	-75.2	178.9	176.8	-172	-0.6	112.2	R27 S28 G33 S34 V35	R27-R31 WeakPolarHBondContact O-CB 3.33Å; R27-R31 VanDerWaalsContact O-CG 3.3Å; R27-R31 WeakPolarHBondContact O-CG 3.3Å; R27-R31 PolarHBondContact O-N 2.79Å; S28-R31 PolarHBondContact O-N 3.4Å; R31-G33 VanDerWaalsContact C-N 3.35Å; R31-S34 WeakPolarHBondContact CA-OG 3.39Å; R31-S34 PolarHBondContact O-N 3.36Å; R31-S34 PolarHBondContact O-OG 3.08Å; R31-V35 WeakPolarHBondContact O-CB 3.48Å; R31-V35 WeakPolarHBondContact O-CG2 3Å; R31-V35 PolarHBondContact O-N 2.91Å
32	L	49.8	Very low	46	Very low	22 Å²	22	70.6 Å²	70.6	12%	0.115	38%	0.381	C	S	.	.	H	α-helix	trans	-68.1	-37.4	175.1	-71.6	167.3	0	0	0	110.9	L4 S28 L29 V35 L36 L60	L4-L32 HydrophobicContact CD1-CD2 3.53Å; S28-L32 WeakPolarHBondContact O-CB 3.32Å; S28-L32 WeakPolarHBondContact O-CD1 3.4Å; S28-L32 WeakPolarHBondContact O-CG 3.31Å; S28-L32 PolarHBondContact O-N 3.07Å; L29-L32 PolarHBondContact O-N 2.93Å; L32-V35 PolarHBondContact O-N 2.82Å; L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 2.79Å; L32-L60 HydrophobicContact CB-CD2 3.9Å; L32-L60 HydrophobicContact CD1-CD2 3.58Å; L32-L60 HydrophobicContact CD1-CG 4.4Å; L32-L60 HydrophobicContact CG-CD2 4.39Å
33	G	46.3	Very low	45.4	Very low	16 Å²	16	70.8 Å²	70.8	17%	0.165	39%	0.385	C	S	.	.	H	α-helix	trans	-62.5	-44.5	171.7	0	0	0	0	0	112.6	L29 A30 R31 V35 L36 Q37	L29-G33 PolarHBondContact O-N 3.44Å; A30-G33 PolarHBondContact O-N 3.14Å; R31-G33 VanDerWaalsContact C-N 3.35Å; G33-V35 VanDerWaalsContact C-N 3.28Å; G33-V35 PolarHBondContact O-N 2.82Å; G33-L36 WeakPolarHBondContact O-CB 3.43Å; G33-L36 PolarHBondContact O-N 2.79Å; G33-L36 VanDerWaalsContact O-N 3.17Å; G33-Q37 PolarHBondContact O-N 3.12Å
34	S	49.9	Very low	44.3	Very low	53 Å²	53	76.7 Å²	76.7	37%	0.371	41%	0.408	S	S	.	.	H	α-helix	trans	-65.6	-33.6	175.5	63.3	0	0	0	0	112.3	A30 R31 L36 Q37 T38	A30-S34 PolarHBondContact O-N 3.49Å; A30-S34 PolarHBondContact O-OG 3.03Å; R31-S34 WeakPolarHBondContact CA-OG 3.39Å; R31-S34 PolarHBondContact O-N 3.36Å; R31-S34 PolarHBondContact O-OG 3.08Å; S34-L36 VanDerWaalsContact C-N 3.33Å; S34-Q37 PolarHBondContact O-N 2.61Å; S34-T38 WeakPolarHBondContact O-CG2 3Å; S34-T38 PolarHBondContact O-N 3.37Å; S34-T38 VanDerWaalsContact O-N 3.08Å; S34-T38 PolarHBondContact O-OG1 3.32Å
35	V	44.5	Very low	43.8	Very low	41 Å²	41	79.6 Å²	79.6	25%	0.248	43%	0.427	C	S	.	.	H	α-helix	trans	-71.6	-28.4	175.6	167.9	0	0	0	0	112.1	R31 L32 G33 V42	R31-V35 WeakPolarHBondContact O-CB 3.48Å; R31-V35 WeakPolarHBondContact O-CG2 3Å; R31-V35 PolarHBondContact O-N 2.91Å; L32-V35 PolarHBondContact O-N 2.82Å; G33-V35 VanDerWaalsContact C-N 3.28Å; G33-V35 PolarHBondContact O-N 2.82Å; V35-V42 HydrophobicContact CG1-CB 4.01Å; V35-V42 HydrophobicContact CG1-CG2 3.09Å
36	L	41.3	Very low	43.4	Very low	52 Å²	52	81 Å²	81	27%	0.272	44%	0.436	S	S	.	.	H	α-helix	trans	-72.8	-37.5	169	-72.2	170.5	0	0	0	112	L32 G33 S34 G39 V56 F81 F84	L32-L36 WeakPolarHBondContact O-CG 3.4Å; L32-L36 PolarHBondContact O-N 2.79Å; G33-L36 WeakPolarHBondContact O-CB 3.43Å; G33-L36 PolarHBondContact O-N 2.79Å; G33-L36 VanDerWaalsContact O-N 3.17Å; S34-L36 VanDerWaalsContact C-N 3.33Å; L36-G39 PolarHBondContact O-N 2.78Å; L36-V56 HydrophobicContact CD1-CG1 3.71Å; L36-V56 HydrophobicContact CD2-CB 4.16Å; L36-V56 HydrophobicContact CD2-CG1 4.01Å; L36-V56 HydrophobicContact CD2-CG2 4.14Å; L36-V56 HydrophobicContact CG-CG1 3.99Å; L36-F81 HydrophobicContact CD1-CD1 3.83Å; L36-F81 HydrophobicContact CD1-CE1 4.46Å; L36-F81 HydrophobicContact CD1-CG 4.45Å; L36-F84 HydrophobicContact CD1-CE1 4.31Å; L36-F84 HydrophobicContact CD1-CZ 4.19Å
37	Q	39.2	Very low	43.3	Very low	149 Å²	149	79.1 Å²	79.1	70%	0.696	45%	0.449	S	S	*	.	H	α-helix	trans	-67.8	-33.1	178.2	-77.8	-179.6	-20.9	0	0	113.4	G33 S34	G33-Q37 PolarHBondContact O-N 3.12Å; S34-Q37 PolarHBondContact O-N 2.61Å
38	T	40.2	Very low	43.1	Very low	77 Å²	77	74.4 Å²	74.4	47%	0.472	43%	0.434	S	S	.	.	S	Bend	trans	-85.2	-12.6	-179.4	54.5	0	0	0	0	113.6	S34 D40	S34-T38 WeakPolarHBondContact O-CG2 3Å; S34-T38 PolarHBondContact O-N 3.37Å; S34-T38 VanDerWaalsContact O-N 3.08Å; S34-T38 PolarHBondContact O-OG1 3.32Å; T38-D40 WeakPolarHBondContact O-CB 3.38Å; T38-D40 PolarHBondContact O-N 3.31Å
39	G	34.4	Very low	43.2	Very low	54 Å²	54	77 Å²	77	56%	0.557	45%	0.451	S	S	*	.			trans	62.2	-16	177.6	0	0	0	0	0	116.5	L36	L36-G39 PolarHBondContact O-N 2.78Å
40	D	35.7	Very low	43.5	Very low	136 Å²	136	78.2 Å²	78.2	73%	0.727	46%	0.457	S	S	*	.	S	Bend	trans	-103	-7.9	-153.7	-81	-20.5	0	0	0	114.8	T38	T38-D40 WeakPolarHBondContact O-CB 3.38Å; T38-D40 PolarHBondContact O-N 3.31Å
41	T	37.1	Very low	43.7	Very low	93 Å²	93	79.3 Å²	79.3	57%	0.571	45%	0.45	S	S	*	.	S	Bend	trans	-126.3	-8.5	-166.4	24	0	0	0	0	117.6
42	V	37.2	Very low	44	Very low	42 Å²	42	72.2 Å²	72.2	26%	0.255	43%	0.425	S	S	.	.	S	Bend	trans	-104.5	-8.2	179.2	169.8	0	0	0	0	114.1	L4 V35 V56	L4-V42 HydrophobicContact CD1-CG1 4.38Å; L4-V42 HydrophobicContact CD1-CG2 4.06Å; L4-V42 HydrophobicContact CD2-CG1 4.29Å; V35-V42 HydrophobicContact CG1-CB 4.01Å; V35-V42 HydrophobicContact CG1-CG2 3.09Å; V42-V56 HydrophobicContact CG1-CG2 4.26Å
43	V	34.4	Very low	44.5	Very low	50 Å²	50	73.6 Å²	73.6	30%	0.303	43%	0.43	S	S	.	.			trans	-136.1	54.7	-165.8	-156.1	0	0	0	0	113.6	S45 S46 S52	V43-S45 VanDerWaalsContact C-N 3.3Å; V43-S46 WeakPolarHBondContact CG1-OG 3.37Å; V43-S52 WeakPolarHBondContact CB-OG 3.14Å; V43-S52 WeakPolarHBondContact CG1-OG 3.13Å; V43-S52 WeakPolarHBondContact CG2-OG 3.2Å
44	Q	30.8	Very low	45.1	Very low	193 Å²	193	73.1 Å²	73.1	90%	0.902	42%	0.424	S	S	*	.	S	Bend	trans	-90.8	13.6	163.3	-81.7	-171.7	-19.6	0	0	113.3
45	S	38.4	Very low	45.6	Very low	83 Å²	83	73.3 Å²	73.3	58%	0.58	42%	0.423	S	S	*	.	S	Bend	trans	-140	18.8	-179.6	78.8	0	0	0	0	116.2	V43	V43-S45 VanDerWaalsContact C-N 3.3Å
46	S	41.9	Very low	46.4	Very low	31 Å²	31	71.4 Å²	71.4	22%	0.217	41%	0.412	C	S	.	.			trans	-139.9	123.9	165.3	61.4	0	0	0	0	110.5	V43 H48 S52	V43-S46 WeakPolarHBondContact CG1-OG 3.37Å; S46-H48 PolarHBondContact O-N 3.14Å; S46-S52 PolarHBondContact OG-OG 3.07Å
47	S	48.3	Very low	47.4	Very low	130 Å²	130	69 Å²	69	91%	0.909	40%	0.399	S	S	*	.	S	Bend	trans	-58.9	-6	177.8	44.7	0	0	0	0	114.8
48	H	51.2	Low	48.3	Very low	68 Å²	68	62 Å²	62	32%	0.315	37%	0.367	S	S	.	.			trans	-117.9	111.6	-177.2	-150	-77.9	0	0	0	111.5	S46 N50 K51 Y108	S46-H48 PolarHBondContact O-N 3.14Å; H48-N50 PolarHBondContact CE1-ND2 2.69Å; H48-N50 PolarHBondContact ND1-N 3.36Å; H48-N50 PolarHBondContact O-N 2.87Å; H48-N50 VanDerWaalsContact O-N 3.08Å; H48-K51 HydrophobicContact CB-CB 4.37Å; H48-K51 WeakPolarHBondContact O-CB 3.46Å; H48-K51 PolarHBondContact O-N 2.97Å; H48-Y108 AromaticContact CE1-CE2 3.73Å; H48-Y108 AromaticContact ND1-CE2 3.72Å
49	P	54.1	Low	49.4	Very low	90 Å²	90	58.9 Å²	58.9	58%	0.584	35%	0.348	S	S	*	.	H	α-helix	trans	-58	-27.2	-178.5	20.7	-31.4	0	0	0	112.7
50	N	56.3	Low	51	Low	38 Å²	38	56.3 Å²	56.3	20%	0.203	32%	0.322	C	S	.	.	H	α-helix	trans	-77.2	-23.2	179.1	-56.9	-26.2	0	0	0	114.1	H48 S52 K53 A54 Y108	H48-N50 PolarHBondContact CE1-ND2 2.69Å; H48-N50 PolarHBondContact ND1-N 3.36Å; H48-N50 PolarHBondContact O-N 2.87Å; H48-N50 VanDerWaalsContact O-N 3.08Å; N50-S52 VanDerWaalsContact C-N 3.26Å; N50-S52 PolarHBondContact O-N 3.22Å; N50-K53 WeakPolarHBondContact O-CB 3.28Å; N50-K53 PolarHBondContact O-N 2.97Å; N50-K53 PolarHBondContact OD1-NZ 3.27Å; N50-A54 PolarHBondContact O-N 3.37Å; N50-A54 VanDerWaalsContact O-N 3.16Å; N50-Y108 HydrophobicContact CB-CD1 3.36Å; N50-Y108 HydrophobicContact CB-CD2 3.59Å; N50-Y108 HydrophobicContact CB-CE1 3.49Å; N50-Y108 VanDerWaalsContact CB-CE1 3.49Å; N50-Y108 HydrophobicContact CB-CE2 3.71Å; N50-Y108 HydrophobicContact CB-CG 3.4Å; N50-Y108 WeakPolarHBondContact O-CE1 3.4Å
51	K	55.3	Low	52.4	Low	87 Å²	87	50 Å²	50	38%	0.378	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-39.3	178.3	-173.9	173.8	-177.5	173.6	0	111	H48 K53 A54 V55 Y108	H48-K51 HydrophobicContact CB-CB 4.37Å; H48-K51 WeakPolarHBondContact O-CB 3.46Å; H48-K51 PolarHBondContact O-N 2.97Å; K51-K53 VanDerWaalsContact C-N 3.35Å; K51-A54 PolarHBondContact O-N 3.3Å; K51-V55 WeakPolarHBondContact O-CG2 3.41Å; K51-V55 PolarHBondContact O-N 2.77Å; K51-Y108 VanDerWaalsContact CA-OH 3.24Å; K51-Y108 WeakPolarHBondContact CA-OH 3.36Å; K51-Y108 PolarHBondContact N-OH 3.01Å
52	S	58	Low	53.6	Low	12 Å²	12	48.6 Å²	48.6	8%	0.084	27%	0.273	C	S	.	.	H	α-helix	trans	-69.1	-34.5	178.8	-57.5	0	0	0	0	112.9	V43 S46 N50 A54 V55 V56	V43-S52 WeakPolarHBondContact CB-OG 3.14Å; V43-S52 WeakPolarHBondContact CG1-OG 3.13Å; V43-S52 WeakPolarHBondContact CG2-OG 3.2Å; S46-S52 PolarHBondContact OG-OG 3.07Å; N50-S52 VanDerWaalsContact C-N 3.26Å; N50-S52 PolarHBondContact O-N 3.22Å; S52-A54 VanDerWaalsContact C-N 3.34Å; S52-V55 PolarHBondContact O-N 2.99Å; S52-V56 WeakPolarHBondContact O-CB 3.5Å; S52-V56 VanDerWaalsContact O-CG2 3.25Å; S52-V56 WeakPolarHBondContact O-CG2 3.41Å; S52-V56 PolarHBondContact O-N 3.14Å
53	K	60	Low	54.9	Low	51 Å²	51	46.8 Å²	46.8	22%	0.222	26%	0.262	C	S	.	.	H	α-helix	trans	-60.4	-45.9	171.7	-58.9	179.7	-178.8	-175	0	110.8	N50 K51 V56 A57 S83 I109	N50-K53 WeakPolarHBondContact O-CB 3.28Å; N50-K53 PolarHBondContact O-N 2.97Å; N50-K53 PolarHBondContact OD1-NZ 3.27Å; K51-K53 VanDerWaalsContact C-N 3.35Å; K53-V56 PolarHBondContact O-N 3.42Å; K53-A57 VanDerWaalsContact O-CB 3.25Å; K53-A57 WeakPolarHBondContact O-CB 3.5Å; K53-A57 PolarHBondContact O-N 3.45Å; K53-S83 WeakPolarHBondContact CE-OG 3.29Å; K53-S83 PolarHBondContact NZ-OG 3.41Å; K53-I109 HydrophobicContact CB-CD1 4.42Å
54	A	58.5	Low	56.4	Low	5 Å²	5	44.6 Å²	44.6	4%	0.041	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-40.9	178.5	0	0	0	0	0	112.8	N50 K51 S52 S58 Y108 I113	N50-A54 PolarHBondContact O-N 3.37Å; N50-A54 VanDerWaalsContact O-N 3.16Å; K51-A54 PolarHBondContact O-N 3.3Å; S52-A54 VanDerWaalsContact C-N 3.34Å; A54-S58 VanDerWaalsContact O-CB 3.31Å; A54-S58 WeakPolarHBondContact O-CB 3.31Å; A54-S58 PolarHBondContact O-N 3Å; A54-S58 PolarHBondContact O-OG 3.42Å; A54-Y108 HydrophobicContact CB-CE1 4.13Å; A54-I113 HydrophobicContact CB-CD1 4.16Å; A54-I113 HydrophobicContact CB-CG1 4.44Å
55	V	59.9	Low	57.9	Low	57 Å²	57	35.4 Å²	35.4	35%	0.345	21%	0.206	S	C	.	.	H	α-helix	trans	-63.4	-45.8	175.6	172.3	0	0	0	0	111	L4 K51 S52 S58 A59	L4-V55 HydrophobicContact CD2-CG1 3.94Å; K51-V55 WeakPolarHBondContact O-CG2 3.41Å; K51-V55 PolarHBondContact O-N 2.77Å; S52-V55 PolarHBondContact O-N 2.99Å; V55-S58 PolarHBondContact O-N 3.39Å; V55-A59 PolarHBondContact O-N 2.76Å
56	V	61.8	Low	59.1	Low	2 Å²	2	33.7 Å²	33.7	1%	0.012	19%	0.187	C	C	.	.	H	α-helix	trans	-65.9	-47.2	178.5	175.2	0	0	0	0	110.7	L36 V42 S52 K53 S58 A59 L60	L36-V56 HydrophobicContact CD1-CG1 3.71Å; L36-V56 HydrophobicContact CD2-CB 4.16Å; L36-V56 HydrophobicContact CD2-CG1 4.01Å; L36-V56 HydrophobicContact CD2-CG2 4.14Å; L36-V56 HydrophobicContact CG-CG1 3.99Å; V42-V56 HydrophobicContact CG1-CG2 4.26Å; S52-V56 WeakPolarHBondContact O-CB 3.5Å; S52-V56 VanDerWaalsContact O-CG2 3.25Å; S52-V56 WeakPolarHBondContact O-CG2 3.41Å; S52-V56 PolarHBondContact O-N 3.14Å; K53-V56 PolarHBondContact O-N 3.42Å; V56-S58 VanDerWaalsContact C-N 3.26Å; V56-S58 PolarHBondContact O-N 3.28Å; V56-A59 PolarHBondContact O-N 3.16Å; V56-A59 VanDerWaalsContact O-N 3.14Å; V56-L60 HydrophobicContact CG1-CD1 3.74Å; V56-L60 HydrophobicContact CG1-CG 4.12Å; V56-L60 WeakPolarHBondContact O-CG 3.46Å; V56-L60 PolarHBondContact O-N 3.08Å
57	A	62.3	Low	60.1	Low	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-54	-44.3	175.3	0	0	0	0	0	111.8	K53 L60 V61 F84 L103 I113	K53-A57 VanDerWaalsContact O-CB 3.25Å; K53-A57 WeakPolarHBondContact O-CB 3.5Å; K53-A57 PolarHBondContact O-N 3.45Å; A57-L60 PolarHBondContact O-N 3.22Å; A57-V61 VanDerWaalsContact O-CG2 3.31Å; A57-V61 WeakPolarHBondContact O-CG2 3.25Å; A57-V61 PolarHBondContact O-N 2.96Å; A57-F84 HydrophobicContact CB-CD1 4.34Å; A57-F84 HydrophobicContact CB-CD2 4.06Å; A57-F84 HydrophobicContact CB-CE1 4.11Å; A57-F84 HydrophobicContact CB-CE2 3.8Å; A57-F84 HydrophobicContact CB-CG 4.34Å; A57-F84 HydrophobicContact CB-CZ 3.84Å; A57-L103 HydrophobicContact CB-CD1 4.04Å; A57-L103 HydrophobicContact CB-CD2 4.02Å; A57-I113 HydrophobicContact CB-CD1 4.05Å
58	S	59.2	Low	60.8	Low	3 Å²	3	27.1 Å²	27.1	2%	0.021	14%	0.139	C	C	.	.	H	α-helix	trans	-64.1	-43.4	177.8	-61.6	0	0	0	0	112.7	A54 V55 V56 V61 Y62 I113 Y137	A54-S58 VanDerWaalsContact O-CB 3.31Å; A54-S58 WeakPolarHBondContact O-CB 3.31Å; A54-S58 PolarHBondContact O-N 3Å; A54-S58 PolarHBondContact O-OG 3.42Å; V55-S58 PolarHBondContact O-N 3.39Å; V56-S58 VanDerWaalsContact C-N 3.26Å; V56-S58 PolarHBondContact O-N 3.28Å; S58-V61 PolarHBondContact O-N 2.97Å; S58-Y62 WeakPolarHBondContact O-CB 3.3Å; S58-Y62 PolarHBondContact O-N 3.43Å; S58-I113 WeakPolarHBondContact OG-CD1 2.89Å; S58-Y137 WeakPolarHBondContact CB-OH 3.11Å; S58-Y137 PolarHBondContact OG-OH 3.21Å; S58-Y137 VanDerWaalsContact OG-OH 3.14Å
59	A	62.8	Low	61.2	Low	11 Å²	11	24.6 Å²	24.6	9%	0.091	13%	0.129	C	C	.	.	H	α-helix	trans	-63.7	-39.8	176	0	0	0	0	0	112.4	L8 V55 V56 Y62 S63	L8-A59 HydrophobicContact CD1-CB 3.96Å; L8-A59 HydrophobicContact CD2-CB 4.25Å; V55-A59 PolarHBondContact O-N 2.76Å; V56-A59 PolarHBondContact O-N 3.16Å; V56-A59 VanDerWaalsContact O-N 3.14Å; A59-Y62 PolarHBondContact O-N 2.98Å; A59-S63 PolarHBondContact O-N 3.18Å; A59-S63 PolarHBondContact O-OG 3.06Å
60	L	66.8	Low	61.5	Low	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-45.4	177.1	-64.3	165.3	0	0	0	111.1	L29 L32 V56 A57 Y62 S63 L64 F81 F84 I86	L29-L60 HydrophobicContact CD2-CB 4.26Å; L29-L60 HydrophobicContact CD2-CD2 3.28Å; L29-L60 HydrophobicContact CD2-CG 4.32Å; L29-L60 HydrophobicContact CG-CD2 4.45Å; L32-L60 HydrophobicContact CB-CD2 3.9Å; L32-L60 HydrophobicContact CD1-CD2 3.58Å; L32-L60 HydrophobicContact CD1-CG 4.4Å; L32-L60 HydrophobicContact CG-CD2 4.39Å; V56-L60 HydrophobicContact CG1-CD1 3.74Å; V56-L60 HydrophobicContact CG1-CG 4.12Å; V56-L60 WeakPolarHBondContact O-CG 3.46Å; V56-L60 PolarHBondContact O-N 3.08Å; A57-L60 PolarHBondContact O-N 3.22Å; L60-Y62 VanDerWaalsContact C-N 3.31Å; L60-Y62 PolarHBondContact O-N 2.89Å; L60-S63 PolarHBondContact O-N 3.33Å; L60-L64 WeakPolarHBondContact O-CB 3.11Å; L60-L64 VanDerWaalsContact O-CG 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.25Å; L60-L64 PolarHBondContact O-N 2.73Å; L60-F81 HydrophobicContact CD1-CD1 4.39Å; L60-F81 HydrophobicContact CD1-CD2 4.39Å; L60-F81 HydrophobicContact CD1-CE1 3.77Å; L60-F81 HydrophobicContact CD1-CE2 3.78Å; L60-F81 HydrophobicContact CD1-CZ 3.44Å; L60-F81 VanDerWaalsContact CD1-CZ 3.44Å; L60-F81 HydrophobicContact CD2-CE1 4.49Å; L60-F81 HydrophobicContact CD2-CZ 4.16Å; L60-F81 HydrophobicContact CG-CZ 4.36Å; L60-F84 HydrophobicContact CD1-CE2 3.69Å; L60-F84 HydrophobicContact CD1-CZ 3.59Å; L60-I86 HydrophobicContact CB-CD1 3.48Å; L60-I86 VanDerWaalsContact CB-CD1 3.48Å; L60-I86 HydrophobicContact CD1-CD1 4.11Å; L60-I86 HydrophobicContact CG-CD1 4.46Å
61	V	65.6	Low	61.7	Low	3 Å²	3	22.7 Å²	22.7	2%	0.018	11%	0.113	C	C	.	.	H	α-helix	trans	-60.9	-41.7	176.3	173.5	0	0	0	0	111.4	A57 S58 L64 T65 I86 I101 I116	A57-V61 VanDerWaalsContact O-CG2 3.31Å; A57-V61 WeakPolarHBondContact O-CG2 3.25Å; A57-V61 PolarHBondContact O-N 2.96Å; S58-V61 PolarHBondContact O-N 2.97Å; V61-L64 PolarHBondContact O-N 2.79Å; V61-T65 PolarHBondContact O-N 3.18Å; V61-T65 PolarHBondContact O-OG1 2.89Å; V61-I86 HydrophobicContact CG2-CD1 3.85Å; V61-I86 HydrophobicContact CG2-CG1 4.13Å; V61-I86 HydrophobicContact CG2-CG2 4.1Å; V61-I101 HydrophobicContact CB-CG2 4.34Å; V61-I101 HydrophobicContact CG1-CB 4.06Å; V61-I101 HydrophobicContact CG1-CD1 3.9Å; V61-I101 HydrophobicContact CG1-CG2 3.64Å; V61-I101 HydrophobicContact CG2-CG2 3.98Å; V61-I116 HydrophobicContact CB-CD1 3.88Å; V61-I116 HydrophobicContact CG1-CD1 3.33Å; V61-I116 HydrophobicContact CG1-CG2 4.03Å; V61-I116 HydrophobicContact CG2-CD1 3.95Å
62	Y	62.3	Low	61.9	Low	64 Å²	64	23.3 Å²	23.3	25%	0.251	12%	0.117	S	C	.	.	H	α-helix	trans	-57.8	-52.9	175.7	177.6	-88.6	0	0	0	111.6	L12 S58 A59 L60 L64 T65 R66 F133	L12-Y62 HydrophobicContact CD2-CE1 3.38Å; L12-Y62 WeakPolarHBondContact CD2-OH 3.44Å; S58-Y62 WeakPolarHBondContact O-CB 3.3Å; S58-Y62 PolarHBondContact O-N 3.43Å; A59-Y62 PolarHBondContact O-N 2.98Å; L60-Y62 VanDerWaalsContact C-N 3.31Å; L60-Y62 PolarHBondContact O-N 2.89Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 2.96Å; Y62-T65 PolarHBondContact O-N 3.35Å; Y62-R66 PolarHBondContact O-N 2.91Å; Y62-R66 VanDerWaalsContact O-N 3.07Å; Y62-F133 AromaticContact CD2-CD2 3.97Å; Y62-F133 HydrophobicContact CD2-CD2 3.97Å; Y62-F133 HydrophobicContact CD2-CE2 4.06Å; Y62-F133 HydrophobicContact CD2-CG 4.19Å; Y62-F133 HydrophobicContact CD2-CZ 4.38Å; Y62-F133 AromaticContact CE2-CD2 3.53Å; Y62-F133 HydrophobicContact CE2-CD2 3.53Å; Y62-F133 AromaticContact CE2-CE2 3.58Å; Y62-F133 HydrophobicContact CE2-CE2 3.58Å; Y62-F133 HydrophobicContact CE2-CG 4.2Å; Y62-F133 HydrophobicContact CE2-CZ 4.29Å
63	S	65	Low	61.8	Low	4 Å²	4	27.6 Å²	27.6	3%	0.028	14%	0.136	C	C	.	.	H	α-helix	trans	-60.6	-42.6	-179.6	-63.6	0	0	0	0	112.1	F11 A59 L60 R66 T67	F11-S63 WeakPolarHBondContact CE1-OG 3.14Å; A59-S63 PolarHBondContact O-N 3.18Å; A59-S63 PolarHBondContact O-OG 3.06Å; L60-S63 PolarHBondContact O-N 3.33Å; S63-R66 PolarHBondContact O-N 3.11Å; S63-T67 PolarHBondContact O-N 3.47Å; S63-T67 VanDerWaalsContact O-N 3.14Å; S63-T67 PolarHBondContact O-OG1 3.2Å
64	L	65.9	Low	61.5	Low	4 Å²	4	29 Å²	29	2%	0.021	16%	0.157	C	C	.	.	H	α-helix	trans	-63.4	-41.7	176.9	-73.2	171.3	0	0	0	112.5	V25 L29 L60 V61 Y62 R66 T67 L68 Y79 I86 I101	V25-L64 HydrophobicContact CG1-CD2 4.02Å; L29-L64 HydrophobicContact CD1-CD2 3.93Å; L29-L64 HydrophobicContact CD2-CD2 4.44Å; L29-L64 HydrophobicContact CD2-CG 4.35Å; L60-L64 WeakPolarHBondContact O-CB 3.11Å; L60-L64 VanDerWaalsContact O-CG 3.25Å; L60-L64 WeakPolarHBondContact O-CG 3.25Å; L60-L64 PolarHBondContact O-N 2.73Å; V61-L64 PolarHBondContact O-N 2.79Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 2.96Å; L64-R66 VanDerWaalsContact C-N 3.34Å; L64-R66 PolarHBondContact O-N 3.25Å; L64-T67 PolarHBondContact O-N 2.81Å; L64-L68 WeakPolarHBondContact O-CD1 3.38Å; L64-L68 VanDerWaalsContact O-CG 3.27Å; L64-L68 WeakPolarHBondContact O-CG 3.28Å; L64-L68 PolarHBondContact O-N 3.13Å; L64-Y79 HydrophobicContact CD1-CD2 3.48Å; L64-Y79 VanDerWaalsContact CD1-CD2 3.48Å; L64-Y79 HydrophobicContact CD1-CE2 3.51Å; L64-Y79 HydrophobicContact CD1-CG 4.31Å; L64-Y79 HydrophobicContact CD2-CD2 4.05Å; L64-Y79 HydrophobicContact CD2-CE1 4.25Å; L64-Y79 HydrophobicContact CD2-CE2 3.23Å; L64-Y79 VanDerWaalsContact CD2-OH 3.28Å; L64-Y79 WeakPolarHBondContact CD2-OH 3.28Å; L64-Y79 HydrophobicContact CG-CD2 4.42Å; L64-Y79 HydrophobicContact CG-CE2 4.01Å; L64-I86 HydrophobicContact CD1-CB 4.27Å; L64-I86 HydrophobicContact CD1-CD1 4.24Å; L64-I86 HydrophobicContact CD1-CG2 3.6Å; L64-I101 HydrophobicContact CB-CD1 4.12Å
65	T	62.7	Low	61.4	Low	0 Å²	0	30.2 Å²	30.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-48.1	177.4	-43.9	0	0	0	0	110.6	V61 Y62 T67 L68 V69 P99 I101 F118 F133	V61-T65 PolarHBondContact O-N 3.18Å; V61-T65 PolarHBondContact O-OG1 2.89Å; Y62-T65 PolarHBondContact O-N 3.35Å; T65-T67 PolarHBondContact O-N 3.29Å; T65-L68 PolarHBondContact O-N 3.45Å; T65-L68 VanDerWaalsContact O-N 3.14Å; T65-V69 HydrophobicContact CG2-CG2 4.08Å; T65-V69 WeakPolarHBondContact O-CG2 3.33Å; T65-V69 PolarHBondContact O-N 3.13Å; T65-P99 HydrophobicContact CG2-CB 4.23Å; T65-P99 HydrophobicContact CG2-CG 4.1Å; T65-I101 HydrophobicContact CG2-CD1 4.37Å; T65-I101 WeakPolarHBondContact OG1-CD1 3.31Å; T65-F118 HydrophobicContact CG2-CD1 3.59Å; T65-F118 HydrophobicContact CG2-CE1 3.15Å; T65-F118 HydrophobicContact CG2-CZ 4.01Å; T65-F118 VanDerWaalsContact OG1-CE1 3.31Å; T65-F118 WeakPolarHBondContact OG1-CE1 3.37Å; T65-F133 HydrophobicContact CG2-CE1 3.66Å; T65-F133 HydrophobicContact CG2-CZ 3.89Å
66	R	63.3	Low	61.3	Low	47 Å²	47	32.2 Å²	32.2	18%	0.177	18%	0.175	C	C	.	.	H	α-helix	trans	-56.7	-43.3	-178	-165.2	-171.4	-179.2	-165.8	7.9	110.5	F11 L12 Y62 S63 L64 V69 Q70	F11-R66 PolarHBondContact O-NH1 2.72Å; L12-R66 PolarHBondContact O-NH1 3.27Å; L12-R66 PolarHBondContact O-NH2 2.83Å; Y62-R66 PolarHBondContact O-N 2.91Å; Y62-R66 VanDerWaalsContact O-N 3.07Å; S63-R66 PolarHBondContact O-N 3.11Å; L64-R66 VanDerWaalsContact C-N 3.34Å; L64-R66 PolarHBondContact O-N 3.25Å; R66-V69 PolarHBondContact O-N 3.13Å; R66-Q70 WeakPolarHBondContact O-CB 3.44Å; R66-Q70 VanDerWaalsContact O-CG 3.32Å; R66-Q70 WeakPolarHBondContact O-CG 3.47Å; R66-Q70 PolarHBondContact O-N 3.28Å
67	T	61.7	Low	61.5	Low	13 Å²	13	33.7 Å²	33.7	8%	0.08	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-44.8	175.8	-61.2	0	0	0	0	113.7	L21 Q22 V25 S63 L64 T65 V69 Q70 S71	L21-T67 HydrophobicContact CD2-CG2 4.19Å; Q22-T67 HydrophobicContact CG-CG2 3.73Å; V25-T67 WeakPolarHBondContact CG2-OG1 3.11Å; S63-T67 PolarHBondContact O-N 3.47Å; S63-T67 VanDerWaalsContact O-N 3.14Å; S63-T67 PolarHBondContact O-OG1 3.2Å; L64-T67 PolarHBondContact O-N 2.81Å; T65-T67 PolarHBondContact O-N 3.29Å; T67-V69 VanDerWaalsContact C-N 3.32Å; T67-V69 PolarHBondContact O-N 3.23Å; T67-Q70 PolarHBondContact O-N 3.37Å; T67-S71 WeakPolarHBondContact O-CB 3.43Å; T67-S71 PolarHBondContact O-N 2.76Å; T67-S71 PolarHBondContact O-OG 3.5Å; T67-S71 VanDerWaalsContact O-OG 3.09Å
68	L	63	Low	61.2	Low	10 Å²	10	39.1 Å²	39.1	5%	0.052	21%	0.213	C	C	.	.	H	α-helix	trans	-60.7	-45	177.4	-67.2	159.8	0	0	0	111	L64 T65 Q70 H72 A90 F97 P99 I101	L64-L68 WeakPolarHBondContact O-CD1 3.38Å; L64-L68 VanDerWaalsContact O-CG 3.27Å; L64-L68 WeakPolarHBondContact O-CG 3.28Å; L64-L68 PolarHBondContact O-N 3.13Å; T65-L68 PolarHBondContact O-N 3.45Å; T65-L68 VanDerWaalsContact O-N 3.14Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; L68-Q70 PolarHBondContact O-N 3.23Å; L68-H72 PolarHBondContact O-N 3.45Å; L68-A90 HydrophobicContact CD2-CB 4.28Å; L68-F97 VanDerWaalsContact C-CE1 3.45Å; L68-F97 HydrophobicContact CB-CE1 4.09Å; L68-F97 HydrophobicContact CB-CZ 4.05Å; L68-F97 WeakPolarHBondContact O-CE1 3.46Å; L68-F97 WeakPolarHBondContact O-CZ 3.35Å; L68-P99 HydrophobicContact CB-CB 4.19Å; L68-P99 HydrophobicContact CD1-CB 4.34Å; L68-I101 HydrophobicContact CD1-CD1 4.11Å; L68-I101 HydrophobicContact CD1-CG1 4.2Å
69	V	61	Low	61.5	Low	15 Å²	15	41.5 Å²	41.5	9%	0.091	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-39.6	179.3	174.2	0	0	0	0	111.3	T65 R66 T67 P99 Y126 V131	T65-V69 HydrophobicContact CG2-CG2 4.08Å; T65-V69 WeakPolarHBondContact O-CG2 3.33Å; T65-V69 PolarHBondContact O-N 3.13Å; R66-V69 PolarHBondContact O-N 3.13Å; T67-V69 VanDerWaalsContact C-N 3.32Å; T67-V69 PolarHBondContact O-N 3.23Å; V69-P99 HydrophobicContact CG2-CB 4.49Å; V69-P99 HydrophobicContact CG2-CG 3.79Å; V69-Y126 HydrophobicContact CG1-CD1 4.28Å; V69-Y126 HydrophobicContact CG1-CE1 4.17Å; V69-V131 HydrophobicContact CG1-CG2 4.19Å; V69-V131 HydrophobicContact CG2-CG2 4.47Å
70	Q	60.3	Low	61.2	Low	69 Å²	69	44.8 Å²	44.8	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-80.7	-31.6	-178.3	-72	-178.5	-61.3	0	0	113.6	L21 R66 T67 L68	L21-Q70 HydrophobicContact CD2-CB 3.74Å; L21-Q70 HydrophobicContact CD2-CG 4.26Å; R66-Q70 WeakPolarHBondContact O-CB 3.44Å; R66-Q70 VanDerWaalsContact O-CG 3.32Å; R66-Q70 WeakPolarHBondContact O-CG 3.47Å; R66-Q70 PolarHBondContact O-N 3.28Å; T67-Q70 PolarHBondContact O-N 3.37Å; L68-Q70 VanDerWaalsContact C-N 3.32Å; L68-Q70 PolarHBondContact O-N 3.23Å
71	S	59.3	Low	61	Low	20 Å²	20	46.4 Å²	46.4	14%	0.14	26%	0.256	C	S	.	.	H	α-helix	trans	-80.3	-20.3	-179.6	70.4	0	0	0	0	113.2	T67 E73	T67-S71 WeakPolarHBondContact O-CB 3.43Å; T67-S71 PolarHBondContact O-N 2.76Å; T67-S71 PolarHBondContact O-OG 3.5Å; T67-S71 VanDerWaalsContact O-OG 3.09Å; S71-E73 PolarHBondContact O-N 3.34Å; S71-E73 PolarHBondContact OG-N 3.17Å
72	H	61.1	Low	60.7	Low	100 Å²	100	53.1 Å²	53.1	46%	0.463	29%	0.292	S	S	.	.			trans	53.2	16.7	-170.3	-64.7	-68.2	0	0	0	113.8	L68 Y126	L68-H72 PolarHBondContact O-N 3.45Å; H72-Y126 AromaticContact CE1-CG 3.75Å
73	E	54.9	Low	60.4	Low	101 Å²	101	51.8 Å²	51.8	47%	0.472	29%	0.292	S	S	.	.			trans	-85.5	124.7	-177.8	-72.5	-176.8	167.1	0	0	110	Q22 S71 A75 A90 F97	Q22-E73 PolarHBondContact NE2-OE2 3.44Å; S71-E73 PolarHBondContact O-N 3.34Å; S71-E73 PolarHBondContact OG-N 3.17Å; E73-A75 HydrophobicContact CB-CB 4.47Å; E73-A75 PolarHBondContact O-N 3.16Å; E73-A90 WeakPolarHBondContact O-CB 3.02Å; E73-F97 WeakPolarHBondContact O-CE2 3.5Å
74	A	54.1	Low	60.2	Low	81 Å²	81	52 Å²	52	67%	0.669	29%	0.292	S	S	*	.			trans	-72	65.1	168.3	0	0	0	0	0	110
75	A	55.7	Low	59.9	Low	30 Å²	30	55.3 Å²	55.3	25%	0.248	31%	0.309	C	S	.	.			trans	-102.2	137.8	177.8	0	0	0	0	0	110.3	E73 A90	E73-A75 HydrophobicContact CB-CB 4.47Å; E73-A75 PolarHBondContact O-N 3.16Å; A75-A90 PolarHBondContact O-N 2.83Å
76	I	59.1	Low	60.1	Low	100 Å²	100	55.3 Å²	55.3	51%	0.513	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	126.1	160.2	-61.4	172.8	0	0	0	106.2	I78 S88 Q89	I76-I78 HydrophobicContact CG2-CG1 4.42Å; I76-S88 CarbonylContact C-O 3.54Å; I76-S88 VanDerWaalsContact CA-O 3.26Å; I76-S88 WeakPolarHBondContact CA-O 3.48Å; I76-Q89 HydrophobicContact CG1-CB 4.29Å; I76-Q89 HydrophobicContact CG1-CG 4.08Å
77	S	64.6	Low	60.1	Low	33 Å²	33	55.9 Å²	55.9	23%	0.231	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	136.5	171.1	-51.8	0	0	0	0	109.7	Y79 R87 S88	S77-Y79 VanDerWaalsContact CB-CE2 3.45Å; S77-Y79 WeakPolarHBondContact CB-OH 3.16Å; S77-R87 CarbonylContact O-C 3.57Å; S77-R87 WeakPolarHBondContact O-CA 3.38Å; S77-S88 VanDerWaalsContact CB-OG 3.3Å; S77-S88 WeakPolarHBondContact CB-OG 3.24Å; S77-S88 PolarHBondContact N-O 3.25Å; S77-S88 PolarHBondContact N-OG 3.25Å; S77-S88 PolarHBondContact O-N 2.84Å; S77-S88 PolarHBondContact O-OG 3.22Å
78	I	57.9	Low	60.3	Low	113 Å²	113	55.3 Å²	55.3	58%	0.579	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	125.4	178.2	-58.4	175	0	0	0	107	I76 I85 I86 R87	I76-I78 HydrophobicContact CG2-CG1 4.42Å; I78-I85 HydrophobicContact CG2-CG2 3.7Å; I78-I86 CarbonylContact C-O 3.57Å; I78-I86 WeakPolarHBondContact CA-O 3.42Å; I78-R87 HydrophobicContact CG1-CB 4.45Å; I78-R87 HydrophobicContact CG1-CG 4.21Å
79	Y	63.6	Low	60.3	Low	54 Å²	54	56.9 Å²	56.9	21%	0.212	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	112	177.5	-54.7	-85.6	0	0	0	107.7	L29 L64 S77 I85 I86	L29-Y79 HydrophobicContact CD1-CD1 3.85Å; L29-Y79 HydrophobicContact CD1-CE1 3.4Å; L64-Y79 HydrophobicContact CD1-CD2 3.48Å; L64-Y79 VanDerWaalsContact CD1-CD2 3.48Å; L64-Y79 HydrophobicContact CD1-CE2 3.51Å; L64-Y79 HydrophobicContact CD1-CG 4.31Å; L64-Y79 HydrophobicContact CD2-CD2 4.05Å; L64-Y79 HydrophobicContact CD2-CE1 4.25Å; L64-Y79 HydrophobicContact CD2-CE2 3.23Å; L64-Y79 VanDerWaalsContact CD2-OH 3.28Å; L64-Y79 WeakPolarHBondContact CD2-OH 3.28Å; L64-Y79 HydrophobicContact CG-CD2 4.42Å; L64-Y79 HydrophobicContact CG-CE2 4.01Å; S77-Y79 VanDerWaalsContact CB-CE2 3.45Å; S77-Y79 WeakPolarHBondContact CB-OH 3.16Å; Y79-I85 CarbonylContact O-C 3.57Å; Y79-I85 VanDerWaalsContact O-CA 3.31Å; Y79-I85 WeakPolarHBondContact O-CA 3.15Å; Y79-I86 HydrophobicContact CD2-CB 4.42Å; Y79-I86 PolarHBondContact N-O 3.39Å; Y79-I86 PolarHBondContact O-N 3.4Å
80	A	57.2	Low	60.4	Low	79 Å²	79	56.5 Å²	56.5	65%	0.653	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	131.3	174.8	0	0	0	0	0	109.7	I85	A80-I85 HydrophobicContact CB-CG1 4.36Å
81	F	62.2	Low	60.4	Low	35 Å²	35	54.5 Å²	54.5	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	160.5	171.7	-55.1	-92	0	0	0	107.7	L36 L60 S83 F84 I86	L36-F81 HydrophobicContact CD1-CD1 3.83Å; L36-F81 HydrophobicContact CD1-CE1 4.46Å; L36-F81 HydrophobicContact CD1-CG 4.45Å; L60-F81 HydrophobicContact CD1-CD1 4.39Å; L60-F81 HydrophobicContact CD1-CD2 4.39Å; L60-F81 HydrophobicContact CD1-CE1 3.77Å; L60-F81 HydrophobicContact CD1-CE2 3.78Å; L60-F81 HydrophobicContact CD1-CZ 3.44Å; L60-F81 VanDerWaalsContact CD1-CZ 3.44Å; L60-F81 HydrophobicContact CD2-CE1 4.49Å; L60-F81 HydrophobicContact CD2-CZ 4.16Å; L60-F81 HydrophobicContact CG-CZ 4.36Å; F81-S83 PolarHBondContact O-N 3.01Å; F81-F84 CarbonylContact C-O 3.51Å; F81-F84 WeakPolarHBondContact CA-O 3.42Å; F81-F84 HydrophobicContact CB-CD1 4.24Å; F81-F84 HydrophobicContact CB-CD2 4.3Å; F81-F84 HydrophobicContact CB-CE1 4Å; F81-F84 HydrophobicContact CB-CE2 4.08Å; F81-F84 HydrophobicContact CB-CG 4.37Å; F81-F84 HydrophobicContact CB-CZ 3.91Å; F81-F84 WeakPolarHBondContact CB-O 3.32Å; F81-F84 HydrophobicContact CD1-CZ 4.27Å; F81-F84 AromaticContact CD2-CD2 3.59Å; F81-F84 HydrophobicContact CD2-CD2 3.59Å; F81-F84 AromaticContact CD2-CE2 3.13Å; F81-F84 HydrophobicContact CD2-CE2 3.13Å; F81-F84 HydrophobicContact CD2-CG 4.45Å; F81-F84 AromaticContact CD2-CZ 3.67Å; F81-F84 HydrophobicContact CD2-CZ 3.67Å; F81-F84 HydrophobicContact CE2-CD2 4.31Å; F81-F84 AromaticContact CE2-CE2 3.61Å; F81-F84 HydrophobicContact CE2-CE2 3.61Å; F81-F84 HydrophobicContact CE2-CZ 4.26Å; F81-F84 HydrophobicContact CG-CD2 4.23Å; F81-F84 HydrophobicContact CG-CE1 4.29Å; F81-F84 AromaticContact CG-CE2 3.66Å; F81-F84 HydrophobicContact CG-CE2 3.66Å; F81-F84 AromaticContact CG-CZ 3.68Å; F81-F84 HydrophobicContact CG-CZ 3.68Å; F81-F84 HydrophobicContact CZ-CE2 4.47Å; F81-F84 PolarHBondContact N-O 2.93Å; F81-F84 PolarHBondContact O-N 3.27Å; F81-I86 HydrophobicContact CE2-CD1 4Å; F81-I86 HydrophobicContact CE2-CG1 4.35Å
82	D	59.8	Low	60.6	Low	144 Å²	144	58 Å²	58	77%	0.77	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.8	-173.2	-61.2	-20.9	0	0	0	114.3
83	S	55.5	Low	60.5	Low	36 Å²	36	57.6 Å²	57.6	25%	0.252	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-5.8	-178.1	-56.4	0	0	0	0	115	K53 F81	K53-S83 WeakPolarHBondContact CE-OG 3.29Å; K53-S83 PolarHBondContact NZ-OG 3.41Å; F81-S83 PolarHBondContact O-N 3.01Å
84	F	62	Low	60.8	Low	7 Å²	7	59.5 Å²	59.5	3%	0.031	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	158.9	-178.3	59.6	-86.9	0	0	0	113.2	L36 A57 L60 F81 I86 L103 Y104 I109	L36-F84 HydrophobicContact CD1-CE1 4.31Å; L36-F84 HydrophobicContact CD1-CZ 4.19Å; A57-F84 HydrophobicContact CB-CD1 4.34Å; A57-F84 HydrophobicContact CB-CD2 4.06Å; A57-F84 HydrophobicContact CB-CE1 4.11Å; A57-F84 HydrophobicContact CB-CE2 3.8Å; A57-F84 HydrophobicContact CB-CG 4.34Å; A57-F84 HydrophobicContact CB-CZ 3.84Å; L60-F84 HydrophobicContact CD1-CE2 3.69Å; L60-F84 HydrophobicContact CD1-CZ 3.59Å; F81-F84 CarbonylContact C-O 3.51Å; F81-F84 WeakPolarHBondContact CA-O 3.42Å; F81-F84 HydrophobicContact CB-CD1 4.24Å; F81-F84 HydrophobicContact CB-CD2 4.3Å; F81-F84 HydrophobicContact CB-CE1 4Å; F81-F84 HydrophobicContact CB-CE2 4.08Å; F81-F84 HydrophobicContact CB-CG 4.37Å; F81-F84 HydrophobicContact CB-CZ 3.91Å; F81-F84 WeakPolarHBondContact CB-O 3.32Å; F81-F84 HydrophobicContact CD1-CZ 4.27Å; F81-F84 AromaticContact CD2-CD2 3.59Å; F81-F84 HydrophobicContact CD2-CD2 3.59Å; F81-F84 AromaticContact CD2-CE2 3.13Å; F81-F84 HydrophobicContact CD2-CE2 3.13Å; F81-F84 HydrophobicContact CD2-CG 4.45Å; F81-F84 AromaticContact CD2-CZ 3.67Å; F81-F84 HydrophobicContact CD2-CZ 3.67Å; F81-F84 HydrophobicContact CE2-CD2 4.31Å; F81-F84 AromaticContact CE2-CE2 3.61Å; F81-F84 HydrophobicContact CE2-CE2 3.61Å; F81-F84 HydrophobicContact CE2-CZ 4.26Å; F81-F84 HydrophobicContact CG-CD2 4.23Å; F81-F84 HydrophobicContact CG-CE1 4.29Å; F81-F84 AromaticContact CG-CE2 3.66Å; F81-F84 HydrophobicContact CG-CE2 3.66Å; F81-F84 AromaticContact CG-CZ 3.68Å; F81-F84 HydrophobicContact CG-CZ 3.68Å; F81-F84 HydrophobicContact CZ-CE2 4.47Å; F81-F84 PolarHBondContact N-O 2.93Å; F81-F84 PolarHBondContact O-N 3.27Å; F84-I86 HydrophobicContact CD2-CD1 4.28Å; F84-I86 HydrophobicContact CD2-CG1 3.96Å; F84-I86 HydrophobicContact CE2-CD1 3.83Å; F84-I86 HydrophobicContact CE2-CG1 4.03Å; F84-L103 HydrophobicContact CB-CD1 4.15Å; F84-L103 HydrophobicContact CD2-CD1 3.64Å; F84-L103 HydrophobicContact CE2-CD1 4.42Å; F84-L103 HydrophobicContact CG-CD1 4.18Å; F84-Y104 CarbonylContact C-O 3.57Å; F84-Y104 WeakPolarHBondContact CA-O 3.22Å; F84-Y104 WeakPolarHBondContact CB-O 3.3Å; F84-I109 HydrophobicContact CB-CD1 3.58Å; F84-I109 HydrophobicContact CD1-CD1 3.6Å; F84-I109 HydrophobicContact CG-CD1 3.88Å
85	I	59.3	Low	61.1	Low	75 Å²	75	65 Å²	65	39%	0.385	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.5	176	-57.9	169.2	0	0	0	108	I78 Y79 A80 Y104	I78-I85 HydrophobicContact CG2-CG2 3.7Å; Y79-I85 CarbonylContact O-C 3.57Å; Y79-I85 VanDerWaalsContact O-CA 3.31Å; Y79-I85 WeakPolarHBondContact O-CA 3.15Å; A80-I85 HydrophobicContact CB-CG1 4.36Å; I85-Y104 HydrophobicContact CB-CD2 4.25Å; I85-Y104 HydrophobicContact CG2-CD2 4.31Å; I85-Y104 PolarHBondContact N-O 2.78Å; I85-Y104 PolarHBondContact O-N 3.49Å
86	I	67	Low	61.2	Low	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	122.9	168.8	-58	171.5	0	0	0	108.2	L60 V61 L64 I78 Y79 F81 F84 I101 F102 L103	L60-I86 HydrophobicContact CB-CD1 3.48Å; L60-I86 VanDerWaalsContact CB-CD1 3.48Å; L60-I86 HydrophobicContact CD1-CD1 4.11Å; L60-I86 HydrophobicContact CG-CD1 4.46Å; V61-I86 HydrophobicContact CG2-CD1 3.85Å; V61-I86 HydrophobicContact CG2-CG1 4.13Å; V61-I86 HydrophobicContact CG2-CG2 4.1Å; L64-I86 HydrophobicContact CD1-CB 4.27Å; L64-I86 HydrophobicContact CD1-CD1 4.24Å; L64-I86 HydrophobicContact CD1-CG2 3.6Å; I78-I86 CarbonylContact C-O 3.57Å; I78-I86 WeakPolarHBondContact CA-O 3.42Å; Y79-I86 HydrophobicContact CD2-CB 4.42Å; Y79-I86 PolarHBondContact N-O 3.39Å; Y79-I86 PolarHBondContact O-N 3.4Å; F81-I86 HydrophobicContact CE2-CD1 4Å; F81-I86 HydrophobicContact CE2-CG1 4.35Å; F84-I86 HydrophobicContact CD2-CD1 4.28Å; F84-I86 HydrophobicContact CD2-CG1 3.96Å; F84-I86 HydrophobicContact CE2-CD1 3.83Å; F84-I86 HydrophobicContact CE2-CG1 4.03Å; I86-I101 HydrophobicContact CG2-CG2 3.56Å; I86-F102 CarbonylContact C-O 3.53Å; I86-F102 WeakPolarHBondContact CA-O 3.34Å; I86-L103 HydrophobicContact CD1-CD1 4.39Å; I86-L103 HydrophobicContact CG1-CD1 3.59Å
87	R	62	Low	61.2	Low	58 Å²	58	65.8 Å²	65.8	22%	0.219	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.7	169	176.4	180	-177.9	-90.8	-6	108.6	S77 I78 Q89 I101 F102 Y104	S77-R87 CarbonylContact O-C 3.57Å; S77-R87 WeakPolarHBondContact O-CA 3.38Å; I78-R87 HydrophobicContact CG1-CB 4.45Å; I78-R87 HydrophobicContact CG1-CG 4.21Å; R87-Q89 VanDerWaalsContact CZ-OE1 3.3Å; R87-I101 CarbonylContact O-C 3.4Å; R87-I101 WeakPolarHBondContact O-CA 3.19Å; R87-F102 HydrophobicContact CB-CB 4.24Å; R87-F102 HydrophobicContact CB-CD2 4.43Å; R87-F102 HydrophobicContact CG-CD2 4.29Å; R87-F102 PolarHBondContact N-O 3.36Å; R87-F102 PolarHBondContact O-N 3.07Å; R87-Y104 HydrophobicContact CB-CE2 3.93Å
88	S	67	Low	61.2	Low	1 Å²	1	66.9 Å²	66.9	1%	0.007	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	143.8	163.8	55.2	0	0	0	0	110.8	I76 S77 R100	I76-S88 CarbonylContact C-O 3.54Å; I76-S88 VanDerWaalsContact CA-O 3.26Å; I76-S88 WeakPolarHBondContact CA-O 3.48Å; S77-S88 VanDerWaalsContact CB-OG 3.3Å; S77-S88 WeakPolarHBondContact CB-OG 3.24Å; S77-S88 PolarHBondContact N-O 3.25Å; S77-S88 PolarHBondContact N-OG 3.25Å; S77-S88 PolarHBondContact O-N 2.84Å; S77-S88 PolarHBondContact O-OG 3.22Å; S88-R100 CarbonylContact C-O 3.57Å; S88-R100 WeakPolarHBondContact CA-O 3.12Å
89	Q	62.2	Low	61.4	Low	43 Å²	43	62 Å²	62	20%	0.201	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	123.1	172.4	173.5	175.2	4.7	0	0	107.5	I76 R87 C91 R100	I76-Q89 HydrophobicContact CG1-CB 4.29Å; I76-Q89 HydrophobicContact CG1-CG 4.08Å; R87-Q89 VanDerWaalsContact CZ-OE1 3.3Å; Q89-C91 PolarHBondContact NE2-SG 2.92Å; Q89-R100 HydrophobicContact CB-CB 4.48Å; Q89-R100 PolarHBondContact N-O 2.85Å; Q89-R100 WeakPolarHBondContact O-CA 3.44Å; Q89-R100 WeakPolarHBondContact O-CB 3.44Å; Q89-R100 PolarHBondContact O-N 3.41Å; Q89-R100 VanDerWaalsContact O-O 3.1Å
90	A	63.8	Low	61.4	Low	7 Å²	7	64.1 Å²	64.1	6%	0.058	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	123.7	167.3	0	0	0	0	0	110.1	L68 E73 A75 F97	L68-A90 HydrophobicContact CD2-CB 4.28Å; E73-A90 WeakPolarHBondContact O-CB 3.02Å; A75-A90 PolarHBondContact O-N 2.83Å; A90-F97 HydrophobicContact CB-CD2 4.28Å; A90-F97 HydrophobicContact CB-CE1 4.11Å; A90-F97 HydrophobicContact CB-CE2 3.28Å; A90-F97 HydrophobicContact CB-CZ 3.17Å
91	C	61	Low	61.7	Low	27 Å²	27	61.1 Å²	61.1	18%	0.182	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143	172.2	-65.2	0	0	0	0	109.8	Q89 I98	Q89-C91 PolarHBondContact NE2-SG 2.92Å; C91-I98 PolarHBondContact N-O 2.78Å; C91-I98 PolarHBondContact O-N 2.77Å
92	S	61.8	Low	61.9	Low	94 Å²	94	63 Å²	63	66%	0.657	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.1	162.2	-176.1	0	0	0	0	108.2	K96	S92-K96 WeakPolarHBondContact CA-O 3.47Å
93	E	59.8	Low	62.1	Low	91 Å²	91	57.8 Å²	57.8	43%	0.425	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.2	176	-170.8	173.7	177.3	0	0	108	Q95 K96 I98 R100	E93-Q95 VanDerWaalsContact C-N 3.31Å; E93-Q95 PolarHBondContact O-N 2.78Å; E93-K96 PolarHBondContact N-O 2.93Å; E93-K96 WeakPolarHBondContact O-CA 3.39Å; E93-K96 VanDerWaalsContact O-CB 3.29Å; E93-K96 WeakPolarHBondContact O-CB 3.4Å; E93-K96 PolarHBondContact O-N 2.87Å; E93-I98 HydrophobicContact CB-CD1 3.74Å; E93-I98 HydrophobicContact CG-CD1 4.47Å; E93-R100 IonicContact OE2-NH2 3.49Å; E93-R100 PolarHBondContact OE2-NH2 2.84Å
94	N	62.3	Low	62.4	Low	141 Å²	141	61.6 Å²	61.6	75%	0.754	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	43.3	-177	-60.2	-35.9	0	0	0	114.1	K96	N94-K96 PolarHBondContact O-N 3.39Å; N94-K96 VanDerWaalsContact O-N 3.13Å
95	Q	58.5	Low	62.6	Low	196 Å²	196	62.6 Å²	62.6	92%	0.916	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	14.2	-174.4	-53.3	177.3	-2.2	0	0	114.3	E93	E93-Q95 VanDerWaalsContact C-N 3.31Å; E93-Q95 PolarHBondContact O-N 2.78Å
96	K	57.5	Low	62.8	Low	125 Å²	125	61.5 Å²	61.5	54%	0.543	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	131.4	173.9	-59.7	179.6	-177.7	178	0	109.4	S92 E93 N94 I98	S92-K96 WeakPolarHBondContact CA-O 3.47Å; E93-K96 PolarHBondContact N-O 2.93Å; E93-K96 WeakPolarHBondContact O-CA 3.39Å; E93-K96 VanDerWaalsContact O-CB 3.29Å; E93-K96 WeakPolarHBondContact O-CB 3.4Å; E93-K96 PolarHBondContact O-N 2.87Å; N94-K96 PolarHBondContact O-N 3.39Å; N94-K96 VanDerWaalsContact O-N 3.13Å; K96-I98 HydrophobicContact CB-CG1 4.48Å; K96-I98 PolarHBondContact O-N 3.47Å
97	F	60.8	Low	62.7	Low	22 Å²	22	65.8 Å²	65.8	10%	0.096	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	115.1	171	-176	-92.2	0	0	0	109.5	L68 E73 A90 P99 Y126	L68-F97 VanDerWaalsContact C-CE1 3.45Å; L68-F97 HydrophobicContact CB-CE1 4.09Å; L68-F97 HydrophobicContact CB-CZ 4.05Å; L68-F97 WeakPolarHBondContact O-CE1 3.46Å; L68-F97 WeakPolarHBondContact O-CZ 3.35Å; E73-F97 WeakPolarHBondContact O-CE2 3.5Å; A90-F97 HydrophobicContact CB-CD2 4.28Å; A90-F97 HydrophobicContact CB-CE1 4.11Å; A90-F97 HydrophobicContact CB-CE2 3.28Å; A90-F97 HydrophobicContact CB-CZ 3.17Å; F97-P99 HydrophobicContact CE1-CB 4.06Å; F97-P99 HydrophobicContact CE1-CG 4.33Å; F97-P99 WeakPolarHBondContact O-CD 3.18Å; F97-Y126 PolarHBondContact O-OH 3.42Å
98	I	64.2	Low	62.6	Low	56 Å²	56	64.1 Å²	64.1	29%	0.287	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	97.7	-179.6	-54.3	-176.9	0	0	0	108	C91 E93 K96 R100	C91-I98 PolarHBondContact N-O 2.78Å; C91-I98 PolarHBondContact O-N 2.77Å; E93-I98 HydrophobicContact CB-CD1 3.74Å; E93-I98 HydrophobicContact CG-CD1 4.47Å; K96-I98 HydrophobicContact CB-CG1 4.48Å; K96-I98 PolarHBondContact O-N 3.47Å; I98-R100 HydrophobicContact CG2-CG 4.26Å; I98-R100 PolarHBondContact O-N 2.83Å
99	P	61	Low	62.2	Low	11 Å²	11	64.1 Å²	64.1	7%	0.071	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.6	168.9	31.1	-33.7	0	0	0	108.5	T65 L68 V69 F97 F118	T65-P99 HydrophobicContact CG2-CB 4.23Å; T65-P99 HydrophobicContact CG2-CG 4.1Å; L68-P99 HydrophobicContact CB-CB 4.19Å; L68-P99 HydrophobicContact CD1-CB 4.34Å; V69-P99 HydrophobicContact CG2-CB 4.49Å; V69-P99 HydrophobicContact CG2-CG 3.79Å; F97-P99 HydrophobicContact CE1-CB 4.06Å; F97-P99 HydrophobicContact CE1-CG 4.33Å; F97-P99 WeakPolarHBondContact O-CD 3.18Å; P99-F118 HydrophobicContact CG-CD1 4.46Å; P99-F118 HydrophobicContact CG-CG 4.41Å; P99-F118 WeakPolarHBondContact O-CD2 3.25Å
100	R	63.8	Low	62	Low	99 Å²	99	65.2 Å²	65.2	37%	0.374	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	127.4	172.2	-60.5	-177.2	-179.2	-179.3	1.1	106.8	S88 Q89 E93 I98 F102	S88-R100 CarbonylContact C-O 3.57Å; S88-R100 WeakPolarHBondContact CA-O 3.12Å; Q89-R100 HydrophobicContact CB-CB 4.48Å; Q89-R100 PolarHBondContact N-O 2.85Å; Q89-R100 WeakPolarHBondContact O-CA 3.44Å; Q89-R100 WeakPolarHBondContact O-CB 3.44Å; Q89-R100 PolarHBondContact O-N 3.41Å; Q89-R100 VanDerWaalsContact O-O 3.1Å; E93-R100 IonicContact OE2-NH2 3.49Å; E93-R100 PolarHBondContact OE2-NH2 2.84Å; I98-R100 HydrophobicContact CG2-CG 4.26Å; I98-R100 PolarHBondContact O-N 2.83Å; R100-F102 HydrophobicContact CB-CE2 3.79Å; R100-F102 HydrophobicContact CB-CZ 4.12Å
101	I	65.1	Low	61.5	Low	16 Å²	16	69.5 Å²	69.5	8%	0.082	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	127.8	175.3	-55.9	-176.8	0	0	0	108.2	V61 L64 T65 L68 I86 R87 F118	V61-I101 HydrophobicContact CB-CG2 4.34Å; V61-I101 HydrophobicContact CG1-CB 4.06Å; V61-I101 HydrophobicContact CG1-CD1 3.9Å; V61-I101 HydrophobicContact CG1-CG2 3.64Å; V61-I101 HydrophobicContact CG2-CG2 3.98Å; L64-I101 HydrophobicContact CB-CD1 4.12Å; T65-I101 HydrophobicContact CG2-CD1 4.37Å; T65-I101 WeakPolarHBondContact OG1-CD1 3.31Å; L68-I101 HydrophobicContact CD1-CD1 4.11Å; L68-I101 HydrophobicContact CD1-CG1 4.2Å; I86-I101 HydrophobicContact CG2-CG2 3.56Å; R87-I101 CarbonylContact O-C 3.4Å; R87-I101 WeakPolarHBondContact O-CA 3.19Å; I101-F118 HydrophobicContact CB-CE2 4.35Å; I101-F118 HydrophobicContact CB-CZ 3.97Å; I101-F118 HydrophobicContact CD1-CZ 4.04Å; I101-F118 HydrophobicContact CG1-CE2 4.41Å; I101-F118 HydrophobicContact CG1-CZ 3.87Å
102	F	65	Low	61	Low	75 Å²	75	69.3 Å²	69.3	33%	0.329	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.6	177.6	-53.1	-93.2	0	0	0	107.4	I86 R87 R100 Y104	I86-F102 CarbonylContact C-O 3.53Å; I86-F102 WeakPolarHBondContact CA-O 3.34Å; R87-F102 HydrophobicContact CB-CB 4.24Å; R87-F102 HydrophobicContact CB-CD2 4.43Å; R87-F102 HydrophobicContact CG-CD2 4.29Å; R87-F102 PolarHBondContact N-O 3.36Å; R87-F102 PolarHBondContact O-N 3.07Å; R100-F102 HydrophobicContact CB-CE2 3.79Å; R100-F102 HydrophobicContact CB-CZ 4.12Å; F102-Y104 HydrophobicContact CB-CD2 4.45Å; F102-Y104 HydrophobicContact CB-CE2 3.6Å
103	L	64.1	Low	60.6	Low	34 Å²	34	65.8 Å²	65.8	18%	0.178	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.3	172.7	179.1	69.2	0	0	0	107.7	A57 F84 I86 I109 I113	A57-L103 HydrophobicContact CB-CD1 4.04Å; A57-L103 HydrophobicContact CB-CD2 4.02Å; F84-L103 HydrophobicContact CB-CD1 4.15Å; F84-L103 HydrophobicContact CD2-CD1 3.64Å; F84-L103 HydrophobicContact CE2-CD1 4.42Å; F84-L103 HydrophobicContact CG-CD1 4.18Å; I86-L103 HydrophobicContact CD1-CD1 4.39Å; I86-L103 HydrophobicContact CG1-CD1 3.59Å; L103-I109 HydrophobicContact CD2-CG2 3.59Å; L103-I109 HydrophobicContact CG-CG2 3.89Å; L103-I113 HydrophobicContact CD2-CB 4.06Å; L103-I113 HydrophobicContact CD2-CD1 3.33Å; L103-I113 HydrophobicContact CD2-CG1 4.25Å; L103-I113 HydrophobicContact CD2-CG2 3.85Å
104	Y	63	Low	59.8	Low	115 Å²	115	65.7 Å²	65.7	45%	0.451	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	127	173.8	-50.7	-87.1	0	0	0	107.1	F84 I85 R87 F102	F84-Y104 CarbonylContact C-O 3.57Å; F84-Y104 WeakPolarHBondContact CA-O 3.22Å; F84-Y104 WeakPolarHBondContact CB-O 3.3Å; I85-Y104 HydrophobicContact CB-CD2 4.25Å; I85-Y104 HydrophobicContact CG2-CD2 4.31Å; I85-Y104 PolarHBondContact N-O 2.78Å; I85-Y104 PolarHBondContact O-N 3.49Å; R87-Y104 HydrophobicContact CB-CE2 3.93Å; F102-Y104 HydrophobicContact CB-CD2 4.45Å; F102-Y104 HydrophobicContact CB-CE2 3.6Å
105	G	66.2	Low	58.9	Low	28 Å²	28	62.9 Å²	62.9	29%	0.289	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	-173.2	177.9	0	0	0	0	0	111.3
106	D	62	Low	58.3	Low	52 Å²	52	55.3 Å²	55.3	28%	0.278	29%	0.288	S	S	.	.			trans	-61.7	170.5	168.2	61.1	21.9	0	0	0	111.7	Y108 I109 S110	D106-Y108 PolarHBondContact O-N 3.02Å; D106-Y108 VanDerWaalsContact O-N 3.08Å; D106-Y108 VanDerWaalsContact OD1-CB 3.3Å; D106-Y108 WeakPolarHBondContact OD1-CB 3.34Å; D106-Y108 PolarHBondContact OD1-N 3.08Å; D106-I109 PolarHBondContact O-N 3.48Å; D106-I109 PolarHBondContact OD1-N 3.23Å; D106-S110 PolarHBondContact O-N 3.48Å; D106-S110 PolarHBondContact O-OG 3.05Å
107	S	64.5	Low	57.4	Low	90 Å²	90	56 Å²	56	63%	0.629	29%	0.293	S	S	*	.	H	α-helix	trans	-55.4	-28.6	178.6	55	0	0	0	0	112.5	N111	S107-N111 WeakPolarHBondContact O-CB 3.24Å; S107-N111 PolarHBondContact O-N 3.46Å; S107-N111 PolarHBondContact O-ND2 2.96Å; S107-N111 PolarHBondContact O-OD1 2.96Å
108	Y	60.2	Low	56.6	Low	23 Å²	23	57.3 Å²	57.3	9%	0.09	30%	0.299	C	S	.	.	H	α-helix	trans	-65.1	-51.7	173.7	-173.3	-84	0	0	0	110.8	H48 N50 K51 A54 D106 S110 N111 H112 I142	H48-Y108 AromaticContact CE1-CE2 3.73Å; H48-Y108 AromaticContact ND1-CE2 3.72Å; N50-Y108 HydrophobicContact CB-CD1 3.36Å; N50-Y108 HydrophobicContact CB-CD2 3.59Å; N50-Y108 HydrophobicContact CB-CE1 3.49Å; N50-Y108 VanDerWaalsContact CB-CE1 3.49Å; N50-Y108 HydrophobicContact CB-CE2 3.71Å; N50-Y108 HydrophobicContact CB-CG 3.4Å; N50-Y108 WeakPolarHBondContact O-CE1 3.4Å; K51-Y108 VanDerWaalsContact CA-OH 3.24Å; K51-Y108 WeakPolarHBondContact CA-OH 3.36Å; K51-Y108 PolarHBondContact N-OH 3.01Å; A54-Y108 HydrophobicContact CB-CE1 4.13Å; D106-Y108 PolarHBondContact O-N 3.02Å; D106-Y108 VanDerWaalsContact O-N 3.08Å; D106-Y108 VanDerWaalsContact OD1-CB 3.3Å; D106-Y108 WeakPolarHBondContact OD1-CB 3.34Å; D106-Y108 PolarHBondContact OD1-N 3.08Å; Y108-S110 VanDerWaalsContact C-N 3.35Å; Y108-S110 PolarHBondContact O-N 3.48Å; Y108-N111 PolarHBondContact O-N 3.5Å; Y108-H112 AromaticContact CD1-ND1 3.67Å; Y108-H112 AromaticContact CD2-CE1 3.48Å; Y108-H112 VanDerWaalsContact CD2-CE1 3.48Å; Y108-H112 WeakPolarHBondContact CD2-CE1 3.48Å; Y108-H112 AromaticContact CD2-ND1 3.62Å; Y108-H112 HydrophobicContact CE1-CB 4.46Å; Y108-H112 AromaticContact CE1-ND1 3.73Å; Y108-H112 AromaticContact CE2-CE1 3.38Å; Y108-H112 WeakPolarHBondContact CE2-CE1 2.88Å; Y108-H112 AromaticContact CE2-ND1 3.69Å; Y108-H112 AromaticContact CE2-NE2 4Å; Y108-H112 AromaticContact CG-CE1 3.97Å; Y108-H112 AromaticContact CG-ND1 3.62Å; Y108-H112 AromaticContact CZ-CE1 3.8Å; Y108-H112 AromaticContact CZ-ND1 3.75Å; Y108-H112 WeakPolarHBondContact O-CB 3.29Å; Y108-H112 PolarHBondContact O-N 3.17Å; Y108-H112 PolarHBondContact O-ND1 3.4Å; Y108-I142 HydrophobicContact CE2-CD1 4.47Å; Y108-I142 VanDerWaalsContact OH-CD1 3.32Å; Y108-I142 WeakPolarHBondContact OH-CD1 3.33Å
109	I	59.4	Low	55.4	Low	2 Å²	2	62 Å²	62	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-61.6	-44.1	178.3	-72.3	174.4	0	0	0	111.3	K53 F84 L103 D106 N111 H112 I113	K53-I109 HydrophobicContact CB-CD1 4.42Å; F84-I109 HydrophobicContact CB-CD1 3.58Å; F84-I109 HydrophobicContact CD1-CD1 3.6Å; F84-I109 HydrophobicContact CG-CD1 3.88Å; L103-I109 HydrophobicContact CD2-CG2 3.59Å; L103-I109 HydrophobicContact CG-CG2 3.89Å; D106-I109 PolarHBondContact O-N 3.48Å; D106-I109 PolarHBondContact OD1-N 3.23Å; I109-N111 VanDerWaalsContact C-N 3.29Å; I109-N111 PolarHBondContact O-N 3.31Å; I109-H112 PolarHBondContact O-N 3.33Å; I109-I113 HydrophobicContact CG2-CD1 4.28Å; I109-I113 PolarHBondContact O-N 2.98Å
110	S	58.1	Low	54.4	Low	65 Å²	65	64.3 Å²	64.3	46%	0.455	33%	0.334	S	S	.	.	H	α-helix	trans	-61.5	-34.7	177.5	-65.4	0	0	0	0	113.3	D106 Y108	D106-S110 PolarHBondContact O-N 3.48Å; D106-S110 PolarHBondContact O-OG 3.05Å; Y108-S110 VanDerWaalsContact C-N 3.35Å; Y108-S110 PolarHBondContact O-N 3.48Å
111	N	53.7	Low	53.3	Low	98 Å²	98	62.6 Å²	62.6	52%	0.524	34%	0.335	S	S	.	.	H	α-helix	trans	-81.9	-23.6	179.9	-70	-10.7	0	0	0	113.5	S107 Y108 I109	S107-N111 WeakPolarHBondContact O-CB 3.24Å; S107-N111 PolarHBondContact O-N 3.46Å; S107-N111 PolarHBondContact O-ND2 2.96Å; S107-N111 PolarHBondContact O-OD1 2.96Å; Y108-N111 PolarHBondContact O-N 3.5Å; I109-N111 VanDerWaalsContact C-N 3.29Å; I109-N111 PolarHBondContact O-N 3.31Å
112	H	50.8	Low	52	Low	22 Å²	22	66.8 Å²	66.8	10%	0.102	36%	0.357	C	S	.	.	H	α-helix	trans	-105.7	-19.5	-172.3	-66.3	92.1	0	0	0	114	Y108 I109 I142	Y108-H112 AromaticContact CD1-ND1 3.67Å; Y108-H112 AromaticContact CD2-CE1 3.48Å; Y108-H112 VanDerWaalsContact CD2-CE1 3.48Å; Y108-H112 WeakPolarHBondContact CD2-CE1 3.48Å; Y108-H112 AromaticContact CD2-ND1 3.62Å; Y108-H112 HydrophobicContact CE1-CB 4.46Å; Y108-H112 AromaticContact CE1-ND1 3.73Å; Y108-H112 AromaticContact CE2-CE1 3.38Å; Y108-H112 WeakPolarHBondContact CE2-CE1 2.88Å; Y108-H112 AromaticContact CE2-ND1 3.69Å; Y108-H112 AromaticContact CE2-NE2 4Å; Y108-H112 AromaticContact CG-CE1 3.97Å; Y108-H112 AromaticContact CG-ND1 3.62Å; Y108-H112 AromaticContact CZ-CE1 3.8Å; Y108-H112 AromaticContact CZ-ND1 3.75Å; Y108-H112 WeakPolarHBondContact O-CB 3.29Å; Y108-H112 PolarHBondContact O-N 3.17Å; Y108-H112 PolarHBondContact O-ND1 3.4Å; I109-H112 PolarHBondContact O-N 3.33Å; H112-I142 VanDerWaalsContact CD2-CD1 3.42Å; H112-I142 WeakPolarHBondContact CD2-CD1 3.5Å; H112-I142 VanDerWaalsContact NE2-CD1 3.29Å; H112-I142 WeakPolarHBondContact NE2-CD1 3.42Å; H112-I142 WeakPolarHBondContact NE2-CG1 3.2Å
113	I	51.6	Low	50.4	Low	20 Å²	20	68.9 Å²	68.9	10%	0.103	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	86	175.9	-59.1	177.5	0	0	0	107.9	A54 A57 S58 L103 I109 I116	A54-I113 HydrophobicContact CB-CD1 4.16Å; A54-I113 HydrophobicContact CB-CG1 4.44Å; A57-I113 HydrophobicContact CB-CD1 4.05Å; S58-I113 WeakPolarHBondContact OG-CD1 2.89Å; L103-I113 HydrophobicContact CD2-CB 4.06Å; L103-I113 HydrophobicContact CD2-CD1 3.33Å; L103-I113 HydrophobicContact CD2-CG1 4.25Å; L103-I113 HydrophobicContact CD2-CG2 3.85Å; I109-I113 HydrophobicContact CG2-CD1 4.28Å; I109-I113 PolarHBondContact O-N 2.98Å; I113-I116 HydrophobicContact CG2-CD1 4.15Å; I113-I116 HydrophobicContact CG2-CG1 4.22Å
114	N	44.6	Very low	48.7	Very low	89 Å²	89	72 Å²	72	48%	0.476	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	-37.1	-167.4	-79.9	-42.2	0	0	0	114.1
115	V	43.8	Very low	47.1	Very low	82 Å²	82	72.9 Å²	72.9	50%	0.497	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	128.7	-179	-176.4	0	0	0	0	109.9	Q117	V115-Q117 HydrophobicContact CG1-CB 3.83Å
116	I	45.5	Very low	45.4	Very low	37 Å²	37	75.1 Å²	75.1	19%	0.19	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	91.1	164.4	-54.7	179.8	0	0	0	106.4	V61 I113 F118	V61-I116 HydrophobicContact CB-CD1 3.88Å; V61-I116 HydrophobicContact CG1-CD1 3.33Å; V61-I116 HydrophobicContact CG1-CG2 4.03Å; V61-I116 HydrophobicContact CG2-CD1 3.95Å; I113-I116 HydrophobicContact CG2-CD1 4.15Å; I113-I116 HydrophobicContact CG2-CG1 4.22Å; I116-F118 HydrophobicContact CG2-CE1 3.92Å; I116-F118 HydrophobicContact CG2-CE2 4.21Å; I116-F118 HydrophobicContact CG2-CZ 3.61Å
117	Q	38.2	Very low	43.8	Very low	139 Å²	139	79.4 Å²	79.4	65%	0.65	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	123.9	-179.3	-171.1	172.5	3.2	0	0	109.8	V115	V115-Q117 HydrophobicContact CG1-CB 3.83Å
118	F	43.9	Very low	42.1	Very low	51 Å²	51	82.5 Å²	82.5	22%	0.224	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.3	172.8	-53.3	-74.9	0	0	0	109	T65 P99 I101 I116 F133	T65-F118 HydrophobicContact CG2-CD1 3.59Å; T65-F118 HydrophobicContact CG2-CE1 3.15Å; T65-F118 HydrophobicContact CG2-CZ 4.01Å; T65-F118 VanDerWaalsContact OG1-CE1 3.31Å; T65-F118 WeakPolarHBondContact OG1-CE1 3.37Å; P99-F118 HydrophobicContact CG-CD1 4.46Å; P99-F118 HydrophobicContact CG-CG 4.41Å; P99-F118 WeakPolarHBondContact O-CD2 3.25Å; I101-F118 HydrophobicContact CB-CE2 4.35Å; I101-F118 HydrophobicContact CB-CZ 3.97Å; I101-F118 HydrophobicContact CD1-CZ 4.04Å; I101-F118 HydrophobicContact CG1-CE2 4.41Å; I101-F118 HydrophobicContact CG1-CZ 3.87Å; I116-F118 HydrophobicContact CG2-CE1 3.92Å; I116-F118 HydrophobicContact CG2-CE2 4.21Å; I116-F118 HydrophobicContact CG2-CZ 3.61Å; F118-F133 HydrophobicContact CD1-CD1 4.44Å; F118-F133 HydrophobicContact CD1-CE1 4.02Å; F118-F133 HydrophobicContact CE1-CD1 4.36Å; F118-F133 AromaticContact CE1-CE1 3.88Å; F118-F133 HydrophobicContact CE1-CE1 3.88Å
119	K	40	Very low	40.6	Very low	154 Å²	154	83.9 Å²	83.9	67%	0.67	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.1	113.9	166.9	-166.8	177.2	179.8	-174.4	0	107.9	V121	K119-V121 PolarHBondContact O-N 2.8Å
120	S	38.7	Very low	39.1	Very low	59 Å²	59	88.2 Å²	88.2	41%	0.413	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	123.2	165.4	177.5	0	0	0	0	107.6	N122	S120-N122 VanDerWaalsContact C-N 3.32Å; S120-N122 PolarHBondContact OG-O 3.37Å; S120-N122 VanDerWaalsContact OG-O 3.1Å
121	V	41.2	Very low	37.9	Very low	64 Å²	64	87 Å²	87	39%	0.388	48%	0.482	S	S	.	.	S	Bend	trans	-79.1	-20.3	-176.2	-171.8	0	0	0	0	111	K119 S130 E132	K119-V121 PolarHBondContact O-N 2.8Å; V121-S130 WeakPolarHBondContact CG2-O 3.44Å; V121-E132 HydrophobicContact CG2-CB 3.82Å
122	N	36.7	Very low	36.8	Very low	104 Å²	104	89.3 Å²	89.3	56%	0.556	49%	0.49	S	S	*	.			trans	-140.5	128.1	179.5	-72.2	-41.6	0	0	0	111.8	S120 T124	S120-N122 VanDerWaalsContact C-N 3.32Å; S120-N122 PolarHBondContact OG-O 3.37Å; S120-N122 VanDerWaalsContact OG-O 3.1Å; N122-T124 PolarHBondContact O-N 3.43Å
123	S	32.6	Very low	36	Very low	118 Å²	118	90.6 Å²	90.6	83%	0.825	50%	0.495	S	S	*	.	S	Bend	trans	-77	28.3	-179.9	45.8	0	0	0	0	114.2
124	T	28.9	Very low	35.1	Very low	99 Å²	99	97 Å²	97	61%	0.607	52%	0.522	S	S	*	.	S	Bend	trans	-135.9	119.7	-170.9	31.2	0	0	0	0	109.8	N122	N122-T124 PolarHBondContact O-N 3.43Å
125	V	27.7	Very low	34.6	Very low	134 Å²	134	95.3 Å²	95.3	81%	0.812	51%	0.512	S	S	*	.			trans	25.3	105.4	157.8	-172.9	0	0	0	0	114.9	N127	V125-N127 VanDerWaalsContact C-N 3.28Å; V125-N127 PolarHBondContact O-N 2.85Å
126	Y	31.8	Very low	34.1	Very low	76 Å²	76	94.6 Å²	94.6	30%	0.298	51%	0.509	S	S	.	.	S	Bend	trans	-60.9	76.6	-177.7	-72.6	-102.2	0	0	0	113.2	V69 H72 F97 V129	V69-Y126 HydrophobicContact CG1-CD1 4.28Å; V69-Y126 HydrophobicContact CG1-CE1 4.17Å; H72-Y126 AromaticContact CE1-CG 3.75Å; F97-Y126 PolarHBondContact O-OH 3.42Å; Y126-V129 HydrophobicContact CD1-CB 4.16Å; Y126-V129 HydrophobicContact CD1-CG2 3.25Å; Y126-V129 HydrophobicContact CE1-CB 4.47Å; Y126-V129 HydrophobicContact CE1-CG1 4.35Å; Y126-V129 HydrophobicContact CE1-CG2 3.8Å; Y126-V129 HydrophobicContact CG-CG2 3.82Å
127	N	28.4	Very low	33.4	Very low	142 Å²	142	97.4 Å²	97.4	76%	0.759	52%	0.517	S	S	*	.	S	Bend	trans	-120.9	-1.8	168.7	-139.6	4	0	0	0	112.9	V125	V125-N127 VanDerWaalsContact C-N 3.28Å; V125-N127 PolarHBondContact O-N 2.85Å
128	N	27.5	Very low	33	Very low	155 Å²	155	93.2 Å²	93.2	83%	0.829	50%	0.503	S	S	*	.	S	Bend	trans	-163.8	52.7	-179.9	-93.1	-26.6	0	0	0	112.5	S130	N128-S130 PolarHBondContact O-N 3.45Å; N128-S130 VanDerWaalsContact O-N 3.14Å
129	V	30	Very low	32.4	Very low	52 Å²	52	95.4 Å²	95.4	32%	0.315	52%	0.517	S	S	.	.			trans	-82.2	102	-172.7	-171.9	0	0	0	0	112.1	Y126 V131	Y126-V129 HydrophobicContact CD1-CB 4.16Å; Y126-V129 HydrophobicContact CD1-CG2 3.25Å; Y126-V129 HydrophobicContact CE1-CB 4.47Å; Y126-V129 HydrophobicContact CE1-CG1 4.35Å; Y126-V129 HydrophobicContact CE1-CG2 3.8Å; Y126-V129 HydrophobicContact CG-CG2 3.82Å; V129-V131 HydrophobicContact CG1-CG2 3.71Å; V129-V131 PolarHBondContact O-N 2.96Å; V129-V131 VanDerWaalsContact O-N 3.13Å
130	S	28.5	Very low	31.9	Very low	92 Å²	92	94.8 Å²	94.8	64%	0.643	52%	0.521	S	S	*	.			trans	-63.9	101.6	153.4	-45.6	0	0	0	0	108	V121 N128	V121-S130 WeakPolarHBondContact CG2-O 3.44Å; N128-S130 PolarHBondContact O-N 3.45Å; N128-S130 VanDerWaalsContact O-N 3.14Å
131	V	31.6	Very low	31.9	Very low	40 Å²	40	99.1 Å²	99.1	24%	0.242	54%	0.535	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	111	168.3	-174.5	0	0	0	0	106.9	V69 V129 F133	V69-V131 HydrophobicContact CG1-CG2 4.19Å; V69-V131 HydrophobicContact CG2-CG2 4.47Å; V129-V131 HydrophobicContact CG1-CG2 3.71Å; V129-V131 PolarHBondContact O-N 2.96Å; V129-V131 VanDerWaalsContact O-N 3.13Å; V131-F133 HydrophobicContact CB-CD2 4.09Å; V131-F133 HydrophobicContact CB-CE2 3.43Å; V131-F133 VanDerWaalsContact CB-CE2 3.43Å; V131-F133 HydrophobicContact CB-CZ 3.77Å; V131-F133 HydrophobicContact CG1-CD1 4.15Å; V131-F133 HydrophobicContact CG1-CD2 3.78Å; V131-F133 HydrophobicContact CG1-CE1 3.7Å; V131-F133 HydrophobicContact CG1-CE2 3.29Å; V131-F133 HydrophobicContact CG1-CG 4.2Å; V131-F133 HydrophobicContact CG1-CZ 3.24Å; V131-F133 HydrophobicContact CG2-CE2 4.5Å; V131-F133 WeakPolarHBondContact O-CD2 3.35Å
132	E	30.7	Very low	31.7	Very low	146 Å²	146	98 Å²	98	68%	0.682	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.7	117.6	171.5	-165.4	179.4	-176.6	0	0	108.4	V121	V121-E132 HydrophobicContact CG2-CB 3.82Å
133	F	34.8	Very low	31.8	Very low	49 Å²	49	100.6 Å²	100.6	22%	0.215	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	122.7	179	-64.6	-91.6	0	0	0	109.3	Y62 T65 F118 V131	Y62-F133 AromaticContact CD2-CD2 3.97Å; Y62-F133 HydrophobicContact CD2-CD2 3.97Å; Y62-F133 HydrophobicContact CD2-CE2 4.06Å; Y62-F133 HydrophobicContact CD2-CG 4.19Å; Y62-F133 HydrophobicContact CD2-CZ 4.38Å; Y62-F133 AromaticContact CE2-CD2 3.53Å; Y62-F133 HydrophobicContact CE2-CD2 3.53Å; Y62-F133 AromaticContact CE2-CE2 3.58Å; Y62-F133 HydrophobicContact CE2-CE2 3.58Å; Y62-F133 HydrophobicContact CE2-CG 4.2Å; Y62-F133 HydrophobicContact CE2-CZ 4.29Å; T65-F133 HydrophobicContact CG2-CE1 3.66Å; T65-F133 HydrophobicContact CG2-CZ 3.89Å; F118-F133 HydrophobicContact CD1-CD1 4.44Å; F118-F133 HydrophobicContact CD1-CE1 4.02Å; F118-F133 HydrophobicContact CE1-CD1 4.36Å; F118-F133 AromaticContact CE1-CE1 3.88Å; F118-F133 HydrophobicContact CE1-CE1 3.88Å; V131-F133 HydrophobicContact CB-CD2 4.09Å; V131-F133 HydrophobicContact CB-CE2 3.43Å; V131-F133 VanDerWaalsContact CB-CE2 3.43Å; V131-F133 HydrophobicContact CB-CZ 3.77Å; V131-F133 HydrophobicContact CG1-CD1 4.15Å; V131-F133 HydrophobicContact CG1-CD2 3.78Å; V131-F133 HydrophobicContact CG1-CE1 3.7Å; V131-F133 HydrophobicContact CG1-CE2 3.29Å; V131-F133 HydrophobicContact CG1-CG 4.2Å; V131-F133 HydrophobicContact CG1-CZ 3.24Å; V131-F133 HydrophobicContact CG2-CE2 4.5Å; V131-F133 WeakPolarHBondContact O-CD2 3.35Å
134	K	32.4	Very low	31.9	Very low	156 Å²	156	106.5 Å²	106.5	68%	0.678	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.5	94	168.1	-165.8	-179.5	177.7	178	0	109.3	T136	K134-T136 WeakPolarHBondContact CE-OG1 3.4Å; K134-T136 PolarHBondContact O-N 2.76Å
135	I	34.8	Very low	32.1	Very low	52 Å²	52	106.9 Å²	106.9	27%	0.267	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.6	102.5	163.1	-57.2	167.8	0	0	0	105.9	Y137	I135-Y137 HydrophobicContact CB-CD2 4.46Å; I135-Y137 HydrophobicContact CB-CE2 3.99Å; I135-Y137 HydrophobicContact CG2-CD1 4.39Å; I135-Y137 HydrophobicContact CG2-CD2 3.8Å; I135-Y137 HydrophobicContact CG2-CE1 4.03Å; I135-Y137 HydrophobicContact CG2-CE2 3.38Å; I135-Y137 HydrophobicContact CG2-CG 4.3Å; I135-Y137 PolarHBondContact O-N 2.72Å
136	T	32.7	Very low	32.3	Very low	68 Å²	68	105.5 Å²	105.5	42%	0.417	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	98.9	175	-46.9	0	0	0	0	107.7	K134	K134-T136 WeakPolarHBondContact CE-OG1 3.4Å; K134-T136 PolarHBondContact O-N 2.76Å
137	Y	30.5	Very low	32.3	Very low	96 Å²	96	107.1 Å²	107.1	38%	0.376	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-75.6	126.3	167.1	-63.7	-84.9	0	0	0	108.5	S58 I135	S58-Y137 WeakPolarHBondContact CB-OH 3.11Å; S58-Y137 PolarHBondContact OG-OH 3.21Å; S58-Y137 VanDerWaalsContact OG-OH 3.14Å; I135-Y137 HydrophobicContact CB-CD2 4.46Å; I135-Y137 HydrophobicContact CB-CE2 3.99Å; I135-Y137 HydrophobicContact CG2-CD1 4.39Å; I135-Y137 HydrophobicContact CG2-CD2 3.8Å; I135-Y137 HydrophobicContact CG2-CE1 4.03Å; I135-Y137 HydrophobicContact CG2-CE2 3.38Å; I135-Y137 HydrophobicContact CG2-CG 4.3Å; I135-Y137 PolarHBondContact O-N 2.72Å
138	S	29.8	Very low	32.6	Very low	50 Å²	50	105.1 Å²	105.1	35%	0.35	54%	0.539	S	S	.	.			trans	-88.2	100.5	157.9	-174	0	0	0	0	106.7
139	L	30.6	Very low	32.9	Very low	97 Å²	97	101.9 Å²	101.9	51%	0.508	52%	0.521	S	S	.	.			trans	-85	5.9	173.5	-74.9	169.4	0	0	0	112.3	Q141 I142	L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 3.08Å; L139-Q141 VanDerWaalsContact O-N 3.13Å; L139-I142 HydrophobicContact CD2-CD1 4.25Å
140	N	30.9	Very low	33.1	Very low	141 Å²	141	105.3 Å²	105.3	75%	0.754	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	20	-164.9	-71	-4	0	0	0	115.4
141	Q	37.3	Very low	33.4	Very low	151 Å²	151	106.2 Å²	106.2	71%	0.706	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-143	14.2	176.7	-69.4	-162.9	-21	0	0	115.5	L139	L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 3.08Å; L139-Q141 VanDerWaalsContact O-N 3.13Å
142	I	38.3	Very low	33.6	Very low	40 Å²	40	111.3 Å²	111.3	21%	0.205	55%	0.549	C	S	.	.	S	Bend	trans	-96.7	-8.1	-179.8	-57.9	162.6	0	0	0	112.9	Y108 H112 L139	Y108-I142 HydrophobicContact CE2-CD1 4.47Å; Y108-I142 VanDerWaalsContact OH-CD1 3.32Å; Y108-I142 WeakPolarHBondContact OH-CD1 3.33Å; H112-I142 VanDerWaalsContact CD2-CD1 3.42Å; H112-I142 WeakPolarHBondContact CD2-CD1 3.5Å; H112-I142 VanDerWaalsContact NE2-CD1 3.29Å; H112-I142 WeakPolarHBondContact NE2-CD1 3.42Å; H112-I142 WeakPolarHBondContact NE2-CG1 3.2Å; L139-I142 HydrophobicContact CD2-CD1 4.25Å
143	D	37.7	Very low	33.8	Very low	158 Å²	158	108.4 Å²	108.4	85%	0.845	54%	0.538	S	S	*	.			trans	-120.6	31.4	-179.9	-68	-37.9	0	0	0	113.8
144	Q	35.9	Very low	33.7	Very low	243 Å²	243	113.8 Å²	113.8	100%	1.136	57%	0.567	S	S	*	*			trans	-122.6	0	166.1	-71.9	-171.4	-6.5	0	0	110.1

Retrieved 144 of 144 residues in 50.7 ms (Link to these results)

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