A0A087Y6Y3_POEFO Loading...

Acyl-coenzyme A thioesterase 13

Catalyzes the hydrolysis of acyl-CoAs into free fatty acids and coenzyme A (CoASH), regulating their respective intracellular levels. Has acyl-CoA thioesterase activity towards medium (C12) and long-chain (C18) fatty acyl-CoA substrates. Can also hydrolyze 3-hydroxyphenylacetyl-CoA and 3,4-dihydroxyphenylacetyl-CoA (in vitro). May play a role in controlling adaptive thermogenesis.

AlphaFold DB , UniProt , Accession A0A087Y6Y3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 142 aa.

						>A0A087Y6Y3_POEFO|A0A087Y6Y3
MSTLTLNSLRQIMRAMVDHSGFDRVISKVDVVSASPGKVVCEMRVEEEHTNRGGTLHGGLTATLVDVISTMAIMYTERGAPGVSVDMNITYMNAAKIGEDVLITAQVLKQGKTLAFATVDLSSKASGKLIAQGRHTKHLGSS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.7	Very low	77	Confident	225 Å²	225	90.5 Å²	90.5	100%	1.108	49%	0.489	S	S	*	.				0	121.2	0	-70	178.5	-128.4	0	0	107	T3	M1-T3 PolarHBondContact O-N 2.83Å
2	S	50.5	Low	78	Confident	121 Å²	121	87.1 Å²	87.1	85%	0.846	47%	0.47	S	S	*	.			trans	-70.1	114	179	55.3	0	0	0	0	108.9	L4	S2-L4 PolarHBondContact O-N 3.26Å
3	T	62.8	Low	79.1	Confident	117 Å²	117	81 Å²	81	72%	0.718	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-56.5	123.1	169.4	-2.7	0	0	0	0	107.8	M1 T5	M1-T3 PolarHBondContact O-N 2.83Å; T3-T5 PolarHBondContact O-N 3.25Å
4	L	72.3	Confident	79.9	Confident	54 Å²	54	87.3 Å²	87.3	28%	0.283	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-51.2	138.8	169.9	-76.7	164.5	0	0	0	107.9	S2 I12 M74 Y75	S2-L4 PolarHBondContact O-N 3.26Å; L4-I12 HydrophobicContact CD2-CD1 4.19Å; L4-M74 HydrophobicContact CD1-CG 4.42Å; L4-Y75 HydrophobicContact CB-CD2 3.31Å; L4-Y75 HydrophobicContact CB-CE2 3.24Å; L4-Y75 HydrophobicContact CB-CG 4.49Å; L4-Y75 HydrophobicContact CD1-CD2 3.93Å; L4-Y75 HydrophobicContact CG-CD2 4.25Å; L4-Y75 WeakPolarHBondContact O-CE2 3.43Å; L4-Y75 PolarHBondContact O-OH 2.87Å
5	T	85.1	Confident	80.5	Confident	70 Å²	70	85.9 Å²	85.9	43%	0.429	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-103.8	164.3	177.2	65.5	0	0	0	0	110.5	T3 N7 S8 L9	T3-T5 PolarHBondContact O-N 3.25Å; T5-N7 PolarHBondContact O-N 3.09Å; T5-S8 PolarHBondContact N-OG 3.01Å; T5-S8 WeakPolarHBondContact O-CA 3.47Å; T5-S8 VanDerWaalsContact O-CB 3.3Å; T5-S8 WeakPolarHBondContact O-CB 3.49Å; T5-S8 PolarHBondContact O-N 2.77Å; T5-S8 PolarHBondContact OG1-N 2.99Å; T5-S8 PolarHBondContact OG1-OG 3.1Å; T5-L9 PolarHBondContact O-N 3.18Å
6	L	84.8	Confident	81	Confident	49 Å²	49	83.3 Å²	83.3	26%	0.257	44%	0.443	S	S	.	.	H	α-helix	trans	-53.5	-40.1	171.6	179.6	62.2	0	0	0	112.1	S8 L9 R10 V31 A34	L6-S8 VanDerWaalsContact C-N 3.32Å; L6-S8 PolarHBondContact O-N 2.85Å; L6-L9 PolarHBondContact O-N 3.11Å; L6-R10 WeakPolarHBondContact O-CG 3.27Å; L6-R10 PolarHBondContact O-N 2.97Å; L6-V31 HydrophobicContact CD1-CB 4.41Å; L6-V31 HydrophobicContact CD1-CG1 3.63Å; L6-A34 HydrophobicContact CD1-CB 4Å
7	N	88.3	Confident	81.6	Confident	101 Å²	101	79.8 Å²	79.8	54%	0.54	43%	0.425	S	S	.	.	H	α-helix	trans	-66.5	-34.8	176.6	-71.8	-17.9	0	0	0	112.1	T5 R10 Q11	T5-N7 PolarHBondContact O-N 3.09Å; N7-R10 PolarHBondContact O-N 3.17Å; N7-Q11 WeakPolarHBondContact O-CG 3.24Å; N7-Q11 PolarHBondContact O-N 3.01Å
8	S	87.1	Confident	82	Confident	32 Å²	32	83 Å²	83	22%	0.224	44%	0.442	C	S	.	.	H	α-helix	trans	-64.7	-43.1	174.5	-50.1	0	0	0	0	111	T5 L6 R10 Q11 I12	T5-S8 PolarHBondContact N-OG 3.01Å; T5-S8 WeakPolarHBondContact O-CA 3.47Å; T5-S8 VanDerWaalsContact O-CB 3.3Å; T5-S8 WeakPolarHBondContact O-CB 3.49Å; T5-S8 PolarHBondContact O-N 2.77Å; T5-S8 PolarHBondContact OG1-N 2.99Å; T5-S8 PolarHBondContact OG1-OG 3.1Å; L6-S8 VanDerWaalsContact C-N 3.32Å; L6-S8 PolarHBondContact O-N 2.85Å; S8-R10 VanDerWaalsContact C-N 3.34Å; S8-R10 PolarHBondContact O-N 2.91Å; S8-Q11 PolarHBondContact O-N 3.39Å; S8-I12 WeakPolarHBondContact O-CG1 3.41Å; S8-I12 PolarHBondContact O-N 3.06Å
9	L	87.5	Confident	82.1	Confident	0 Å²	0	85 Å²	85	0%	0	45%	0.448	C	S	.	.	H	α-helix	trans	-62.4	-40.7	175.5	-76.8	176.7	0	0	0	112.5	T5 L6 Q11 I12 M13 A34 V39 M71 M74 Y75	T5-L9 PolarHBondContact O-N 3.18Å; L6-L9 PolarHBondContact O-N 3.11Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-Q11 PolarHBondContact O-N 3.1Å; L9-I12 PolarHBondContact O-N 3.44Å; L9-M13 WeakPolarHBondContact O-CB 3.19Å; L9-M13 PolarHBondContact O-N 3.47Å; L9-A34 HydrophobicContact CD1-CB 3.32Å; L9-V39 HydrophobicContact CD1-CG2 3.98Å; L9-M71 HydrophobicContact CB-CE 3.95Å; L9-M71 HydrophobicContact CD2-CE 3.87Å; L9-M71 HydrophobicContact CG-CE 4.39Å; L9-M74 HydrophobicContact CD2-CE 4.14Å; L9-Y75 HydrophobicContact CD1-CD1 4.31Å; L9-Y75 HydrophobicContact CD1-CD2 3.42Å; L9-Y75 VanDerWaalsContact CD1-CD2 3.42Å; L9-Y75 HydrophobicContact CD1-CE1 4.45Å; L9-Y75 HydrophobicContact CD1-CE2 3.53Å; L9-Y75 HydrophobicContact CD1-CG 3.81Å; L9-Y75 HydrophobicContact CD2-CD2 3.74Å; L9-Y75 HydrophobicContact CD2-CE2 4.4Å; L9-Y75 HydrophobicContact CD2-CG 4.36Å; L9-Y75 HydrophobicContact CG-CD2 3.53Å; L9-Y75 HydrophobicContact CG-CE2 3.7Å; L9-Y75 HydrophobicContact CG-CG 4.33Å
10	R	91.6	Very high	82.3	Confident	92 Å²	92	86 Å²	86	35%	0.347	46%	0.463	S	S	.	.	H	α-helix	trans	-62.1	-39.9	174.2	-72.6	174.4	176.6	155.3	-3.3	111.9	L6 N7 S8 M13 R14 V31	L6-R10 WeakPolarHBondContact O-CG 3.27Å; L6-R10 PolarHBondContact O-N 2.97Å; N7-R10 PolarHBondContact O-N 3.17Å; S8-R10 VanDerWaalsContact C-N 3.34Å; S8-R10 PolarHBondContact O-N 2.91Å; R10-M13 PolarHBondContact O-N 2.87Å; R10-R14 WeakPolarHBondContact O-CG 3.42Å; R10-R14 PolarHBondContact O-N 3.45Å; R10-V31 HydrophobicContact CG-CB 3.96Å; R10-V31 HydrophobicContact CG-CG2 4.23Å; R10-V31 PolarHBondContact NE-O 3.47Å; R10-V31 VanDerWaalsContact NE-O 3.14Å; R10-V31 PolarHBondContact NH2-O 2.84Å
11	Q	90.8	Very high	82.9	Confident	134 Å²	134	82.9 Å²	82.9	63%	0.626	45%	0.451	S	S	*	.	H	α-helix	trans	-66.5	-43.1	175.5	-74.6	175.7	-13.1	0	0	112.1	N7 S8 L9 M13 R14 A15	N7-Q11 WeakPolarHBondContact O-CG 3.24Å; N7-Q11 PolarHBondContact O-N 3.01Å; S8-Q11 PolarHBondContact O-N 3.39Å; L9-Q11 VanDerWaalsContact C-N 3.32Å; L9-Q11 PolarHBondContact O-N 3.1Å; Q11-M13 VanDerWaalsContact C-N 3.32Å; Q11-M13 PolarHBondContact O-N 3.11Å; Q11-R14 PolarHBondContact O-N 2.77Å; Q11-A15 WeakPolarHBondContact O-CB 3.38Å; Q11-A15 PolarHBondContact O-N 3.17Å
12	I	89.5	Confident	85.4	Confident	50 Å²	50	78.4 Å²	78.4	26%	0.256	43%	0.426	S	S	.	.	H	α-helix	trans	-61.2	-44.8	175.5	-66.2	163.8	0	0	0	110.1	L4 S8 L9 R14 A15 M16 M74	L4-I12 HydrophobicContact CD2-CD1 4.19Å; S8-I12 WeakPolarHBondContact O-CG1 3.41Å; S8-I12 PolarHBondContact O-N 3.06Å; L9-I12 PolarHBondContact O-N 3.44Å; I12-R14 PolarHBondContact O-N 3.48Å; I12-A15 PolarHBondContact O-N 3.32Å; I12-M16 HydrophobicContact CG2-CE 4.36Å; I12-M16 HydrophobicContact CG2-CG 4.36Å; I12-M16 HydrophobicContact CG2-SD 4.34Å; I12-M16 WeakPolarHBondContact O-CG 3.36Å; I12-M16 PolarHBondContact O-N 3.05Å; I12-M74 HydrophobicContact CD1-CE 3.72Å; I12-M74 HydrophobicContact CD1-SD 4.32Å; I12-M74 HydrophobicContact CG2-CE 4.02Å
13	M	91.8	Very high	87.5	Confident	8 Å²	8	75.2 Å²	75.2	4%	0.039	40%	0.399	C	S	.	.	H	α-helix	trans	-59.1	-47.1	177	-171.2	164.5	-159.1	0	0	112.4	L9 R10 Q11 A15 M16 V17 I26 V29 V31 I68 M71	L9-M13 WeakPolarHBondContact O-CB 3.19Å; L9-M13 PolarHBondContact O-N 3.47Å; R10-M13 PolarHBondContact O-N 2.87Å; Q11-M13 VanDerWaalsContact C-N 3.32Å; Q11-M13 PolarHBondContact O-N 3.11Å; M13-A15 VanDerWaalsContact C-N 3.35Å; M13-A15 PolarHBondContact O-N 3.14Å; M13-M16 HydrophobicContact CB-CE 4.4Å; M13-M16 HydrophobicContact CG-CE 4.49Å; M13-M16 PolarHBondContact O-N 3.43Å; M13-V17 WeakPolarHBondContact O-CG1 3.32Å; M13-V17 WeakPolarHBondContact O-CG2 3.46Å; M13-V17 PolarHBondContact O-N 3.15Å; M13-I26 HydrophobicContact CE-CD1 3.96Å; M13-V29 HydrophobicContact CE-CB 3.41Å; M13-V29 VanDerWaalsContact CE-CB 3.41Å; M13-V29 HydrophobicContact CE-CG1 3.51Å; M13-V29 HydrophobicContact CE-CG2 4.48Å; M13-V29 WeakPolarHBondContact CE-O 3.02Å; M13-V31 HydrophobicContact CB-CG2 4.45Å; M13-V31 HydrophobicContact SD-CG2 3.42Å; M13-V31 WeakPolarHBondContact SD-CG2 3.31Å; M13-I68 HydrophobicContact CE-CD1 4.23Å; M13-M71 HydrophobicContact CB-CE 4.2Å; M13-M71 HydrophobicContact SD-SD 4.4Å
14	R	90.6	Very high	89.1	Confident	169 Å²	169	76.2 Å²	76.2	64%	0.638	39%	0.389	S	S	*	.	H	α-helix	trans	-56.4	-48.5	173.6	-74	174.8	-175.8	-166.8	-0.8	111.7	R10 Q11 I12 M16 V17 D18	R10-R14 WeakPolarHBondContact O-CG 3.42Å; R10-R14 PolarHBondContact O-N 3.45Å; Q11-R14 PolarHBondContact O-N 2.77Å; I12-R14 PolarHBondContact O-N 3.48Å; R14-M16 VanDerWaalsContact C-N 3.3Å; R14-M16 PolarHBondContact O-N 3.21Å; R14-V17 VanDerWaalsContact O-CG2 3.31Å; R14-V17 WeakPolarHBondContact O-CG2 3.48Å; R14-V17 PolarHBondContact O-N 2.92Å; R14-V17 VanDerWaalsContact O-N 3.17Å; R14-D18 VanDerWaalsContact O-CB 3.32Å; R14-D18 WeakPolarHBondContact O-CB 3.32Å; R14-D18 PolarHBondContact O-N 3.09Å
15	A	89.3	Confident	90.3	Very high	67 Å²	67	75.9 Å²	75.9	55%	0.554	39%	0.39	S	S	*	.	H	α-helix	trans	-61.8	-35.4	178.9	0	0	0	0	0	113.2	Q11 I12 M13	Q11-A15 WeakPolarHBondContact O-CB 3.38Å; Q11-A15 PolarHBondContact O-N 3.17Å; I12-A15 PolarHBondContact O-N 3.32Å; M13-A15 VanDerWaalsContact C-N 3.35Å; M13-A15 PolarHBondContact O-N 3.14Å
16	M	87.8	Confident	90.9	Very high	44 Å²	44	72.6 Å²	72.6	22%	0.217	37%	0.369	C	S	.	.	H	α-helix	trans	-66.1	-44	174.5	-69.3	-173.4	-56.5	0	0	111.5	I12 M13 R14 D23 V67 M71	I12-M16 HydrophobicContact CG2-CE 4.36Å; I12-M16 HydrophobicContact CG2-CG 4.36Å; I12-M16 HydrophobicContact CG2-SD 4.34Å; I12-M16 WeakPolarHBondContact O-CG 3.36Å; I12-M16 PolarHBondContact O-N 3.05Å; M13-M16 HydrophobicContact CB-CE 4.4Å; M13-M16 HydrophobicContact CG-CE 4.49Å; M13-M16 PolarHBondContact O-N 3.43Å; R14-M16 VanDerWaalsContact C-N 3.3Å; R14-M16 PolarHBondContact O-N 3.21Å; M16-D23 HydrophobicContact CB-CB 4.23Å; M16-D23 WeakPolarHBondContact O-CB 3.33Å; M16-V67 HydrophobicContact CE-CG1 3.79Å; M16-V67 HydrophobicContact SD-CG1 4.34Å; M16-M71 HydrophobicContact CE-CG 4.2Å; M16-M71 HydrophobicContact CE-SD 3.98Å
17	V	91.3	Very high	91.4	Very high	24 Å²	24	73 Å²	73	15%	0.145	38%	0.376	C	S	.	.	H	α-helix	trans	-81.1	-25	-175.5	-55.3	0	0	0	0	113.8	M13 R14 H19 I26	M13-V17 WeakPolarHBondContact O-CG1 3.32Å; M13-V17 WeakPolarHBondContact O-CG2 3.46Å; M13-V17 PolarHBondContact O-N 3.15Å; R14-V17 VanDerWaalsContact O-CG2 3.31Å; R14-V17 WeakPolarHBondContact O-CG2 3.48Å; R14-V17 PolarHBondContact O-N 2.92Å; R14-V17 VanDerWaalsContact O-N 3.17Å; V17-H19 PolarHBondContact O-N 3.27Å; V17-I26 HydrophobicContact CG1-CD1 4.4Å; V17-I26 HydrophobicContact CG1-CG1 3.87Å
18	D	88.6	Confident	91.9	Very high	137 Å²	137	72 Å²	72	73%	0.733	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.9	176.6	-71.5	-19.3	0	0	0	112.3	R14	R14-D18 VanDerWaalsContact O-CB 3.32Å; R14-D18 WeakPolarHBondContact O-CB 3.32Å; R14-D18 PolarHBondContact O-N 3.09Å
19	H	85.3	Confident	92.4	Very high	121 Å²	121	70.8 Å²	70.8	56%	0.56	36%	0.358	S	S	*	.	S	Bend	trans	-78	147.3	174.5	-171.6	-91.2	0	0	0	111.2	V17 G21	V17-H19 PolarHBondContact O-N 3.27Å; H19-G21 WeakPolarHBondContact ND1-CA 3.32Å; H19-G21 PolarHBondContact ND1-N 3.19Å; H19-G21 PolarHBondContact O-N 3.04Å
20	S	86.4	Confident	92.8	Very high	105 Å²	105	76.4 Å²	76.4	73%	0.734	39%	0.388	S	S	*	.	S	Bend	trans	-70.3	11.6	176.9	63.8	0	0	0	0	114.4	R24	S20-R24 PolarHBondContact O-NH1 2.84Å
21	G	94.4	Very high	93.1	Very high	21 Å²	21	72.2 Å²	72.2	22%	0.216	37%	0.373	C	S	.	.	S	Bend	trans	-79.9	-173.4	-177.8	0	0	0	0	0	112	H19 D23 R24	H19-G21 WeakPolarHBondContact ND1-CA 3.32Å; H19-G21 PolarHBondContact ND1-N 3.19Å; H19-G21 PolarHBondContact O-N 3.04Å; G21-D23 VanDerWaalsContact C-N 3.27Å; G21-D23 PolarHBondContact O-N 2.85Å; G21-R24 WeakPolarHBondContact O-CG 3.33Å; G21-R24 PolarHBondContact O-NH1 2.98Å
22	F	96.9	Very high	93.4	Very high	131 Å²	131	69 Å²	69	58%	0.575	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-64.3	-32.9	-179.8	-175.4	-108.8	0	0	0	112.4	R24 V25 T63	F22-R24 PolarHBondContact O-N 2.91Å; F22-V25 HydrophobicContact CD1-CG2 4.43Å; F22-V25 HydrophobicContact CE1-CG2 4.11Å; F22-V25 HydrophobicContact CE2-CG1 4.32Å; F22-V25 HydrophobicContact CZ-CG2 4.16Å; F22-V25 WeakPolarHBondContact O-CG1 3.45Å; F22-V25 WeakPolarHBondContact O-CG2 3.3Å; F22-V25 PolarHBondContact O-N 2.87Å; F22-V25 VanDerWaalsContact O-N 3.1Å; F22-T63 HydrophobicContact CD1-CG2 4.24Å; F22-T63 HydrophobicContact CE1-CG2 3.65Å; F22-T63 VanDerWaalsContact CE1-OG1 3.32Å; F22-T63 WeakPolarHBondContact CE1-OG1 3.15Å
23	D	95.9	Very high	93.7	Very high	54 Å²	54	69.3 Å²	69.3	29%	0.289	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-58.7	-16.5	-176.2	-62.1	-37.7	0	0	0	114.5	M16 G21 V25 I26	M16-D23 HydrophobicContact CB-CB 4.23Å; M16-D23 WeakPolarHBondContact O-CB 3.33Å; G21-D23 VanDerWaalsContact C-N 3.27Å; G21-D23 PolarHBondContact O-N 2.85Å; D23-V25 PolarHBondContact O-N 3.4Å; D23-I26 WeakPolarHBondContact O-CG1 3.39Å; D23-I26 PolarHBondContact O-N 2.87Å; D23-I26 VanDerWaalsContact O-N 3.08Å
24	R	96.3	Very high	93.9	Very high	137 Å²	137	70.2 Å²	70.2	52%	0.517	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-54.4	-24.3	171.7	73.7	-176.8	179.5	-96.9	4.3	114	S20 G21 F22 I26 S27	S20-R24 PolarHBondContact O-NH1 2.84Å; G21-R24 WeakPolarHBondContact O-CG 3.33Å; G21-R24 PolarHBondContact O-NH1 2.98Å; F22-R24 PolarHBondContact O-N 2.91Å; R24-I26 PolarHBondContact O-N 2.94Å; R24-S27 VanDerWaalsContact O-CB 3.24Å; R24-S27 WeakPolarHBondContact O-CB 3.23Å; R24-S27 PolarHBondContact O-N 2.67Å; R24-S27 VanDerWaalsContact O-N 3.1Å; R24-S27 PolarHBondContact O-OG 2.63Å; R24-S27 VanDerWaalsContact O-OG 3.11Å
25	V	97.2	Very high	94.1	Very high	48 Å²	48	64.9 Å²	64.9	29%	0.291	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-67.3	-11.4	179.7	-57.5	0	0	0	0	113.5	F22 D23 L60 T63	F22-V25 HydrophobicContact CD1-CG2 4.43Å; F22-V25 HydrophobicContact CE1-CG2 4.11Å; F22-V25 HydrophobicContact CE2-CG1 4.32Å; F22-V25 HydrophobicContact CZ-CG2 4.16Å; F22-V25 WeakPolarHBondContact O-CG1 3.45Å; F22-V25 WeakPolarHBondContact O-CG2 3.3Å; F22-V25 PolarHBondContact O-N 2.87Å; F22-V25 VanDerWaalsContact O-N 3.1Å; D23-V25 PolarHBondContact O-N 3.4Å; V25-L60 HydrophobicContact CB-CD1 4.41Å; V25-L60 HydrophobicContact CG2-CD1 4.13Å; V25-L60 WeakPolarHBondContact O-CD1 3.45Å; V25-T63 HydrophobicContact CG2-CG2 3.82Å
26	I	96.9	Very high	94.4	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-108.4	20.5	173.7	61.8	158.3	0	0	0	112.7	M13 V17 D23 R24 K28 V29 L60 T63 L64 V67	M13-I26 HydrophobicContact CE-CD1 3.96Å; V17-I26 HydrophobicContact CG1-CD1 4.4Å; V17-I26 HydrophobicContact CG1-CG1 3.87Å; D23-I26 WeakPolarHBondContact O-CG1 3.39Å; D23-I26 PolarHBondContact O-N 2.87Å; D23-I26 VanDerWaalsContact O-N 3.08Å; R24-I26 PolarHBondContact O-N 2.94Å; I26-K28 PolarHBondContact O-N 2.94Å; I26-K28 VanDerWaalsContact O-N 3.14Å; I26-V29 HydrophobicContact CB-CB 4.47Å; I26-V29 HydrophobicContact CB-CG2 3.79Å; I26-V29 HydrophobicContact CG2-CG2 4.34Å; I26-V29 WeakPolarHBondContact O-CB 3.36Å; I26-V29 WeakPolarHBondContact O-CG2 3.42Å; I26-V29 PolarHBondContact O-N 2.89Å; I26-L60 HydrophobicContact CG2-CD1 4Å; I26-T63 HydrophobicContact CG2-CG2 3.94Å; I26-L64 HydrophobicContact CG2-CD2 3.83Å; I26-V67 HydrophobicContact CD1-CB 3.99Å; I26-V67 HydrophobicContact CD1-CG1 3.53Å; I26-V67 HydrophobicContact CD1-CG2 4.17Å
27	S	96.6	Very high	94.8	Very high	57 Å²	57	64.3 Å²	64.3	40%	0.399	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.1	-178.6	58.9	0	0	0	0	114.9	R24	R24-S27 VanDerWaalsContact O-CB 3.24Å; R24-S27 WeakPolarHBondContact O-CB 3.23Å; R24-S27 PolarHBondContact O-N 2.67Å; R24-S27 VanDerWaalsContact O-N 3.1Å; R24-S27 PolarHBondContact O-OG 2.63Å; R24-S27 VanDerWaalsContact O-OG 3.11Å
28	K	97.5	Very high	95.1	Very high	80 Å²	80	67 Å²	67	35%	0.348	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	11	176.9	-57.2	-51.2	-167	77.8	0	114.5	I26 M43 E46 E48	I26-K28 PolarHBondContact O-N 2.94Å; I26-K28 VanDerWaalsContact O-N 3.14Å; K28-M43 HydrophobicContact CB-CG 4.48Å; K28-E46 IonicContact NZ-OE1 2.83Å; K28-E46 PolarHBondContact NZ-OE1 3.08Å; K28-E46 IonicContact NZ-OE2 3.56Å; K28-E46 PolarHBondContact NZ-OE2 3.15Å; K28-E48 WeakPolarHBondContact CE-OE1 3.42Å; K28-E48 WeakPolarHBondContact CG-OE1 3.36Å; K28-E48 IonicContact NZ-OE1 3.17Å
29	V	98.1	Very high	95.6	Very high	7 Å²	7	60.5 Å²	60.5	4%	0.042	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	128.8	179	-177	0	0	0	0	109.8	M13 I26 C41 E42 M43 L64 I68	M13-V29 HydrophobicContact CE-CB 3.41Å; M13-V29 VanDerWaalsContact CE-CB 3.41Å; M13-V29 HydrophobicContact CE-CG1 3.51Å; M13-V29 HydrophobicContact CE-CG2 4.48Å; M13-V29 WeakPolarHBondContact CE-O 3.02Å; I26-V29 HydrophobicContact CB-CB 4.47Å; I26-V29 HydrophobicContact CB-CG2 3.79Å; I26-V29 HydrophobicContact CG2-CG2 4.34Å; I26-V29 WeakPolarHBondContact O-CB 3.36Å; I26-V29 WeakPolarHBondContact O-CG2 3.42Å; I26-V29 PolarHBondContact O-N 2.89Å; V29-C41 HydrophobicContact CG1-CB 3.58Å; V29-E42 WeakPolarHBondContact CA-O 3.48Å; V29-M43 HydrophobicContact CG2-CB 4.01Å; V29-M43 HydrophobicContact CG2-CG 3.91Å; V29-M43 HydrophobicContact CG2-SD 3.62Å; V29-L64 HydrophobicContact CG2-CD2 3.55Å; V29-I68 HydrophobicContact CG1-CD1 4.41Å
30	D	96.6	Very high	96.2	Very high	118 Å²	118	55.7 Å²	55.7	63%	0.631	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.1	179.2	-78.7	-56.1	0	0	0	111.8	V32 C41 E42	D30-V32 PolarHBondContact O-N 3.41Å; D30-C41 CarbonylContact O-C 3.59Å; D30-C41 WeakPolarHBondContact O-CA 3.31Å; D30-C41 WeakPolarHBondContact O-CB 3.46Å; D30-E42 PolarHBondContact N-O 2.86Å; D30-E42 PolarHBondContact O-N 3.48Å
31	V	97.5	Very high	96.8	Very high	5 Å²	5	50.7 Å²	50.7	3%	0.03	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	113.5	171.8	-167.3	0	0	0	0	110	L6 R10 M13 V39 M71	L6-V31 HydrophobicContact CD1-CB 4.41Å; L6-V31 HydrophobicContact CD1-CG1 3.63Å; R10-V31 HydrophobicContact CG-CB 3.96Å; R10-V31 HydrophobicContact CG-CG2 4.23Å; R10-V31 PolarHBondContact NE-O 3.47Å; R10-V31 VanDerWaalsContact NE-O 3.14Å; R10-V31 PolarHBondContact NH2-O 2.84Å; M13-V31 HydrophobicContact CB-CG2 4.45Å; M13-V31 HydrophobicContact SD-CG2 3.42Å; M13-V31 WeakPolarHBondContact SD-CG2 3.31Å; V31-V39 HydrophobicContact CG1-CG1 4.15Å; V31-M71 HydrophobicContact CG2-CE 3.93Å
32	V	96.7	Very high	97	Very high	66 Å²	66	51.6 Å²	51.6	40%	0.4	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-45.9	-177.6	-177.2	0	0	0	0	111.1	D30 V40 E42	D30-V32 PolarHBondContact O-N 3.41Å; V32-V40 PolarHBondContact N-O 3.27Å; V32-E42 HydrophobicContact CG2-CB 3.58Å
33	S	96.8	Very high	97.1	Very high	56 Å²	56	45.5 Å²	45.5	39%	0.392	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	157	178.8	69.8	0	0	0	0	112.1	V40	S33-V40 PolarHBondContact N-O 3.34Å; S33-V40 VanDerWaalsContact N-O 3.17Å; S33-V40 PolarHBondContact O-N 2.89Å; S33-V40 WeakPolarHBondContact OG-CB 3.45Å; S33-V40 WeakPolarHBondContact OG-CG2 3.37Å
34	A	95.8	Very high	97.2	Very high	27 Å²	27	48.4 Å²	48.4	22%	0.223	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	140.4	176.3	0	0	0	0	0	111.5	L6 L9 K38 V39 Y75	L6-A34 HydrophobicContact CD1-CB 4Å; L9-A34 HydrophobicContact CD1-CB 3.32Å; A34-K38 WeakPolarHBondContact CA-O 3.32Å; A34-V39 HydrophobicContact CB-CG2 4.23Å; A34-Y75 HydrophobicContact CB-CD1 4.38Å; A34-Y75 HydrophobicContact CB-CE1 3.98Å
35	S	95.1	Very high	97.4	Very high	57 Å²	57	42 Å²	42	40%	0.399	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	159.6	168.6	60.7	0	0	0	0	108.1	G37 K38 Y75	S35-G37 PolarHBondContact O-N 3.18Å; S35-G37 VanDerWaalsContact O-N 3.1Å; S35-K38 PolarHBondContact N-O 3.47Å; S35-K38 CarbonylContact O-C 3.57Å; S35-K38 PolarHBondContact O-N 3.22Å; S35-Y75 VanDerWaalsContact C-CD1 3.44Å; S35-Y75 VanDerWaalsContact O-CD1 3.27Å; S35-Y75 WeakPolarHBondContact O-CD1 3.41Å
36	P	94.8	Very high	97.4	Very high	95 Å²	95	43 Å²	43	62%	0.617	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.5	122.7	-178.6	-31	37.1	0	0	0	113	K38 Y75	P36-K38 VanDerWaalsContact C-N 3.32Å; P36-K38 PolarHBondContact O-N 2.9Å; P36-Y75 CarbonylContact C-O 3.6Å; P36-Y75 WeakPolarHBondContact CA-O 3.09Å
37	G	96.6	Very high	97.5	Very high	5 Å²	5	50.6 Å²	50.6	5%	0.052	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	5.2	-176.7	0	0	0	0	0	116.2	S35 A72 Y75 Q106 V107	S35-G37 PolarHBondContact O-N 3.18Å; S35-G37 VanDerWaalsContact O-N 3.1Å; G37-A72 WeakPolarHBondContact CA-O 3.46Å; G37-Y75 PolarHBondContact N-O 3.06Å; G37-Q106 CarbonylContact O-C 3.56Å; G37-Q106 WeakPolarHBondContact O-CA 3.43Å; G37-Q106 PolarHBondContact O-NE2 3Å; G37-V107 WeakPolarHBondContact O-CG2 3.4Å; G37-V107 PolarHBondContact O-N 3.06Å
38	K	98.1	Very high	97.6	Very high	80 Å²	80	53.6 Å²	53.6	35%	0.348	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	128.8	179	-166.7	-176.7	-172.5	171.5	0	112.1	A34 S35 P36 A105 Q106	A34-K38 WeakPolarHBondContact CA-O 3.32Å; S35-K38 PolarHBondContact N-O 3.47Å; S35-K38 CarbonylContact O-C 3.57Å; S35-K38 PolarHBondContact O-N 3.22Å; P36-K38 VanDerWaalsContact C-N 3.32Å; P36-K38 PolarHBondContact O-N 2.9Å; K38-A105 VanDerWaalsContact CA-O 3.29Å; K38-A105 WeakPolarHBondContact CA-O 3.45Å; K38-A105 WeakPolarHBondContact CG-O 3.29Å; K38-Q106 VanDerWaalsContact CD-OE1 3.25Å; K38-Q106 VanDerWaalsContact CG-OE1 3.27Å
39	V	98.4	Very high	97.6	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	134.3	175.8	175.5	0	0	0	0	108.9	L9 V31 A34 I68 M71 A72 A105	L9-V39 HydrophobicContact CD1-CG2 3.98Å; V31-V39 HydrophobicContact CG1-CG1 4.15Å; A34-V39 HydrophobicContact CB-CG2 4.23Å; V39-I68 HydrophobicContact CB-CG2 4.36Å; V39-I68 HydrophobicContact CG1-CG2 4.04Å; V39-M71 HydrophobicContact CG2-CB 4.32Å; V39-A72 HydrophobicContact CB-CB 4.31Å; V39-A72 HydrophobicContact CG2-CB 4.1Å; V39-A105 PolarHBondContact N-O 2.84Å; V39-A105 PolarHBondContact O-N 3.07Å
40	V	98.6	Very high	97.7	Very high	21 Å²	21	51 Å²	51	13%	0.127	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.1	173.8	-173.8	0	0	0	0	108.7	V32 S33 I103 T104	V32-V40 PolarHBondContact N-O 3.27Å; S33-V40 PolarHBondContact N-O 3.34Å; S33-V40 VanDerWaalsContact N-O 3.17Å; S33-V40 PolarHBondContact O-N 2.89Å; S33-V40 WeakPolarHBondContact OG-CB 3.45Å; S33-V40 WeakPolarHBondContact OG-CG2 3.37Å; V40-I103 WeakPolarHBondContact CA-O 3.46Å; V40-T104 HydrophobicContact CG2-CG2 4.12Å
41	C	98.6	Very high	97.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	162.4	175.6	-69.3	0	0	0	0	111.2	V29 D30 I68 L102 I103	V29-C41 HydrophobicContact CG1-CB 3.58Å; D30-C41 CarbonylContact O-C 3.59Å; D30-C41 WeakPolarHBondContact O-CA 3.31Å; D30-C41 WeakPolarHBondContact O-CB 3.46Å; C41-I68 HydrophobicContact CB-CD1 4.39Å; C41-L102 WeakPolarHBondContact O-CA 3.27Å; C41-I103 HydrophobicContact CB-CB 4.28Å; C41-I103 HydrophobicContact CB-CD1 4.36Å; C41-I103 PolarHBondContact N-O 3.23Å; C41-I103 PolarHBondContact O-N 3.34Å
42	E	98.5	Very high	97.7	Very high	40 Å²	40	60.3 Å²	60.3	19%	0.187	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	146	174	179.1	172.5	176.6	0	0	109.8	V29 D30 V32 V101 L102 K124	V29-E42 WeakPolarHBondContact CA-O 3.48Å; D30-E42 PolarHBondContact N-O 2.86Å; D30-E42 PolarHBondContact O-N 3.48Å; V32-E42 HydrophobicContact CG2-CB 3.58Å; E42-V101 CarbonylContact C-O 3.51Å; E42-V101 VanDerWaalsContact CA-O 3.31Å; E42-V101 WeakPolarHBondContact CA-O 3.27Å; E42-L102 HydrophobicContact CB-CD2 4.13Å; E42-L102 HydrophobicContact CG-CD2 4.37Å; E42-K124 HydrophobicContact CG-CD 4.46Å; E42-K124 VanDerWaalsContact OE1-CD 3.23Å; E42-K124 WeakPolarHBondContact OE1-CD 3.36Å; E42-K124 IonicContact OE1-NZ 2.63Å; E42-K124 PolarHBondContact OE1-NZ 2.97Å; E42-K124 IonicContact OE2-NZ 2.67Å; E42-K124 PolarHBondContact OE2-NZ 3.47Å
43	M	98.7	Very high	97.7	Very high	2 Å²	2	60.1 Å²	60.1	1%	0.01	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	132.7	174	-172.5	-174.5	72.3	0	0	109.8	K28 V29 H49 L56 L60 L64 V101 I103	K28-M43 HydrophobicContact CB-CG 4.48Å; V29-M43 HydrophobicContact CG2-CB 4.01Å; V29-M43 HydrophobicContact CG2-CG 3.91Å; V29-M43 HydrophobicContact CG2-SD 3.62Å; M43-H49 HydrophobicContact CE-CB 4.48Å; M43-L56 HydrophobicContact CE-CD1 3.72Å; M43-L60 HydrophobicContact CE-CD2 4.06Å; M43-L60 HydrophobicContact SD-CD2 4.33Å; M43-L64 HydrophobicContact CE-CD1 3.97Å; M43-L64 HydrophobicContact SD-CD1 4.4Å; M43-L64 HydrophobicContact SD-CD2 4.46Å; M43-V101 PolarHBondContact N-O 2.8Å; M43-V101 PolarHBondContact O-N 2.88Å; M43-I103 HydrophobicContact CB-CD1 4.11Å
44	R	98.7	Very high	97.8	Very high	116 Å²	116	58.9 Å²	58.9	44%	0.438	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.8	167.3	-178.2	55.3	118	85.8	-22.9	109.4	E46 H49 G98 E99 D100	R44-E46 PolarHBondContact O-N 3.19Å; R44-H49 PolarHBondContact O-CE1 3.32Å; R44-H49 PolarHBondContact O-ND1 3.37Å; R44-H49 VanDerWaalsContact O-ND1 3.15Å; R44-G98 VanDerWaalsContact CZ-CA 3.45Å; R44-G98 PolarHBondContact NE-O 3.48Å; R44-G98 VanDerWaalsContact NE-O 3.09Å; R44-G98 PolarHBondContact NH1-O 3.2Å; R44-G98 PolarHBondContact NH2-O 2.98Å; R44-E99 VanDerWaalsContact CD-O 3.3Å; R44-E99 WeakPolarHBondContact CD-O 3.36Å; R44-D100 WeakPolarHBondContact CD-OD1 3.46Å; R44-D100 IonicContact NE-OD1 3.64Å; R44-D100 PolarHBondContact NE-OD1 2.96Å; R44-D100 IonicContact NE-OD2 2.87Å
45	V	98.8	Very high	97.9	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	31%	0.307	C	S	.	.			trans	-70.2	121	175.4	-175.6	0	0	0	0	108.7	H49 T50 L56 A95 K96 G98 E99 V101	V45-H49 HydrophobicContact CG1-CB 4.25Å; V45-T50 HydrophobicContact CG1-CG2 3.98Å; V45-L56 HydrophobicContact CG2-CB 4.47Å; V45-A95 HydrophobicContact CG2-CB 4.14Å; V45-K96 WeakPolarHBondContact CB-O 3.41Å; V45-G98 PolarHBondContact O-N 3.46Å; V45-E99 PolarHBondContact N-O 3.42Å; V45-V101 HydrophobicContact CG2-CG2 3.72Å
46	E	98.7	Very high	98.1	Very high	70 Å²	70	57 Å²	57	33%	0.327	29%	0.291	S	S	.	.			trans	-119.2	170.9	178.6	-66.9	-176.6	-142.7	0	0	108.4	K28 R44 E48 H49	K28-E46 IonicContact NZ-OE1 2.83Å; K28-E46 PolarHBondContact NZ-OE1 3.08Å; K28-E46 IonicContact NZ-OE2 3.56Å; K28-E46 PolarHBondContact NZ-OE2 3.15Å; R44-E46 PolarHBondContact O-N 3.19Å; E46-E48 VanDerWaalsContact C-N 3.27Å; E46-E48 HydrophobicContact CB-CG 4.35Å; E46-E48 PolarHBondContact O-N 2.96Å; E46-H49 PolarHBondContact N-ND1 3.04Å; E46-H49 WeakPolarHBondContact O-CB 3.43Å; E46-H49 PolarHBondContact O-N 3.48Å
47	E	98.4	Very high	98.3	Very high	160 Å²	160	56.7 Å²	56.7	75%	0.748	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-55.9	-41.1	-176.8	-173	172.4	-170.4	0	0	112.5	H49 T50	E47-H49 PolarHBondContact O-N 2.99Å; E47-H49 VanDerWaalsContact O-N 3.11Å; E47-T50 PolarHBondContact O-N 3.03Å; E47-T50 PolarHBondContact O-OG1 3.14Å
48	E	98.3	Very high	98.4	Very high	120 Å²	120	57.6 Å²	57.6	56%	0.561	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-61.1	-20.6	177.6	66.6	-179.5	146.1	0	0	113.9	K28 E46	K28-E48 WeakPolarHBondContact CE-OE1 3.42Å; K28-E48 WeakPolarHBondContact CG-OE1 3.36Å; K28-E48 IonicContact NZ-OE1 3.17Å; E46-E48 VanDerWaalsContact C-N 3.27Å; E46-E48 HydrophobicContact CB-CG 4.35Å; E46-E48 PolarHBondContact O-N 2.96Å
49	H	98.8	Very high	98.4	Very high	3 Å²	3	55.5 Å²	55.5	1%	0.014	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-88.1	-6.2	-179.9	-57.6	144.4	0	0	0	113.1	M43 R44 V45 E46 E47 L56 H57 L60	M43-H49 HydrophobicContact CE-CB 4.48Å; R44-H49 PolarHBondContact O-CE1 3.32Å; R44-H49 PolarHBondContact O-ND1 3.37Å; R44-H49 VanDerWaalsContact O-ND1 3.15Å; V45-H49 HydrophobicContact CG1-CB 4.25Å; E46-H49 PolarHBondContact N-ND1 3.04Å; E46-H49 WeakPolarHBondContact O-CB 3.43Å; E46-H49 PolarHBondContact O-N 3.48Å; E47-H49 PolarHBondContact O-N 2.99Å; E47-H49 VanDerWaalsContact O-N 3.11Å; H49-L56 HydrophobicContact CB-CD1 4.21Å; H49-H57 WeakPolarHBondContact O-CB 3.44Å; H49-H57 PolarHBondContact O-N 3.34Å; H49-L60 HydrophobicContact CB-CD2 3.46Å; H49-L60 VanDerWaalsContact CB-CD2 3.46Å; H49-L60 VanDerWaalsContact CD2-CD2 3.45Å; H49-L60 WeakPolarHBondContact CD2-CD2 3.32Å
50	T	98.7	Very high	98.4	Very high	30 Å²	30	56.2 Å²	56.2	18%	0.184	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-99	154.5	-166.9	63.5	0	0	0	0	115.3	V45 E47 T55 I97	V45-T50 HydrophobicContact CG1-CG2 3.98Å; E47-T50 PolarHBondContact O-N 3.03Å; E47-T50 PolarHBondContact O-OG1 3.14Å; T50-T55 CarbonylContact C-O 3.59Å; T50-T55 WeakPolarHBondContact CA-O 3.31Å; T50-T55 WeakPolarHBondContact CB-O 3.42Å; T50-I97 HydrophobicContact CG2-CD1 3.97Å; T50-I97 HydrophobicContact CG2-CG1 3.47Å; T50-I97 VanDerWaalsContact CG2-CG1 3.47Å
51	N	98.3	Very high	98.4	Very high	52 Å²	52	55.3 Å²	55.3	28%	0.278	29%	0.29	S	S	.	.			trans	-81.6	177.3	162	62.6	41.5	0	0	0	111.2	G53 G54 T55 H57	N51-G53 PolarHBondContact O-N 2.87Å; N51-G53 VanDerWaalsContact OD1-CA 3.27Å; N51-G53 WeakPolarHBondContact OD1-CA 3.45Å; N51-G53 PolarHBondContact OD1-N 3.39Å; N51-G54 PolarHBondContact O-N 2.94Å; N51-G54 PolarHBondContact OD1-N 2.88Å; N51-T55 VanDerWaalsContact CG-O 3.24Å; N51-T55 PolarHBondContact N-O 2.86Å; N51-T55 PolarHBondContact ND2-O 3.3Å; N51-T55 PolarHBondContact ND2-OG1 3.42Å; N51-T55 PolarHBondContact OD1-N 2.84Å; N51-T55 PolarHBondContact OD1-O 2.8Å; N51-T55 PolarHBondContact OD1-OG1 3.31Å; N51-H57 HydrophobicContact CB-CB 4.35Å
52	R	97	Very high	98.4	Very high	266 Å²	266	56.3 Å²	56.3	100%	1.004	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-18.2	178.1	-64.4	-178	-179.3	170.3	0.2	114.5
53	G	97.1	Very high	98.5	Very high	62 Å²	62	54.9 Å²	54.9	64%	0.639	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	6.3	175.4	0	0	0	0	0	114.3	N51 T55	N51-G53 PolarHBondContact O-N 2.87Å; N51-G53 VanDerWaalsContact OD1-CA 3.27Å; N51-G53 WeakPolarHBondContact OD1-CA 3.45Å; N51-G53 PolarHBondContact OD1-N 3.39Å; G53-T55 VanDerWaalsContact C-N 3.32Å; G53-T55 PolarHBondContact O-N 2.84Å
54	G	97.1	Very high	98.5	Very high	30 Å²	30	54.8 Å²	54.8	31%	0.309	29%	0.292	S	S	.	.	S	Bend	trans	70.8	25.9	178.1	0	0	0	0	0	114	N51	N51-G54 PolarHBondContact O-N 2.94Å; N51-G54 PolarHBondContact OD1-N 2.88Å
55	T	98.7	Very high	98.5	Very high	32 Å²	32	49.3 Å²	49.3	20%	0.196	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-127	157.5	178.8	57.6	0	0	0	0	110.4	T50 N51 G53 H57 A94 A95 K96	T50-T55 CarbonylContact C-O 3.59Å; T50-T55 WeakPolarHBondContact CA-O 3.31Å; T50-T55 WeakPolarHBondContact CB-O 3.42Å; N51-T55 VanDerWaalsContact CG-O 3.24Å; N51-T55 PolarHBondContact N-O 2.86Å; N51-T55 PolarHBondContact ND2-O 3.3Å; N51-T55 PolarHBondContact ND2-OG1 3.42Å; N51-T55 PolarHBondContact OD1-N 2.84Å; N51-T55 PolarHBondContact OD1-O 2.8Å; N51-T55 PolarHBondContact OD1-OG1 3.31Å; G53-T55 VanDerWaalsContact C-N 3.32Å; G53-T55 PolarHBondContact O-N 2.84Å; T55-H57 PolarHBondContact O-N 3.25Å; T55-H57 VanDerWaalsContact O-N 3.15Å; T55-A94 HydrophobicContact CG2-CB 3.86Å; T55-A95 CarbonylContact C-O 3.6Å; T55-A95 VanDerWaalsContact CA-O 3.31Å; T55-A95 WeakPolarHBondContact CA-O 3.46Å; T55-K96 HydrophobicContact CG2-CG 4.35Å
56	L	98.8	Very high	98.5	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.063	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-45.5	121.2	-179.8	-179.3	63	0	0	0	111.4	M43 V45 H49 G58 L60 T61 A95 L121 I130	M43-L56 HydrophobicContact CE-CD1 3.72Å; V45-L56 HydrophobicContact CG2-CB 4.47Å; H49-L56 HydrophobicContact CB-CD1 4.21Å; L56-G58 PolarHBondContact O-N 3.43Å; L56-L60 HydrophobicContact CD1-CB 4.48Å; L56-L60 HydrophobicContact CD1-CD2 3.81Å; L56-L60 HydrophobicContact CD1-CG 4.26Å; L56-T61 WeakPolarHBondContact CD2-OG1 3.13Å; L56-A95 HydrophobicContact CB-CB 4.05Å; L56-A95 HydrophobicContact CD2-CB 4.42Å; L56-A95 PolarHBondContact N-O 2.97Å; L56-L121 HydrophobicContact CD2-CD2 4.22Å; L56-I130 HydrophobicContact CD2-CG2 4.37Å
57	H	98.8	Very high	98.4	Very high	89 Å²	89	48.3 Å²	48.3	41%	0.412	27%	0.268	S	S	.	.			trans	-67	131.9	-174.7	-168.2	-73.3	0	0	0	110.6	H49 N51 T55 G59 L60 T61	H49-H57 WeakPolarHBondContact O-CB 3.44Å; H49-H57 PolarHBondContact O-N 3.34Å; N51-H57 HydrophobicContact CB-CB 4.35Å; T55-H57 PolarHBondContact O-N 3.25Å; T55-H57 VanDerWaalsContact O-N 3.15Å; H57-G59 VanDerWaalsContact C-N 3.26Å; H57-G59 WeakPolarHBondContact ND1-CA 3.29Å; H57-G59 PolarHBondContact ND1-N 3.46Å; H57-G59 PolarHBondContact O-N 3.02Å; H57-L60 HydrophobicContact CB-CB 4.26Å; H57-L60 PolarHBondContact O-N 3.31Å; H57-T61 PolarHBondContact O-N 3.29Å; H57-T61 PolarHBondContact O-OG1 2.83Å
58	G	98.7	Very high	98.5	Very high	24 Å²	24	40.7 Å²	40.7	25%	0.247	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-38.4	179.7	0	0	0	0	0	113.3	L56 L60 T61 A62 Y91	L56-G58 PolarHBondContact O-N 3.43Å; G58-L60 PolarHBondContact O-N 3.38Å; G58-T61 WeakPolarHBondContact O-CB 3.31Å; G58-T61 PolarHBondContact O-N 2.96Å; G58-A62 PolarHBondContact O-N 2.84Å; G58-Y91 PolarHBondContact O-OH 3.03Å; G58-Y91 VanDerWaalsContact O-OH 3.11Å
59	G	98.8	Very high	98.5	Very high	36 Å²	36	35 Å²	35	37%	0.371	21%	0.206	S	C	.	.	H	α-helix	trans	-61.6	-37.1	171.3	0	0	0	0	0	115	H57 A62 T63	H57-G59 VanDerWaalsContact C-N 3.26Å; H57-G59 WeakPolarHBondContact ND1-CA 3.29Å; H57-G59 PolarHBondContact ND1-N 3.46Å; H57-G59 PolarHBondContact O-N 3.02Å; G59-A62 PolarHBondContact O-N 3.5Å; G59-T63 PolarHBondContact O-N 3.47Å; G59-T63 PolarHBondContact O-OG1 3.46Å
60	L	98.8	Very high	98.4	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.073	21%	0.212	C	C	.	.	H	α-helix	trans	-70.6	-41.8	173.3	178.9	59.5	0	0	0	110.3	V25 I26 M43 H49 L56 H57 G58 A62 T63 L64	V25-L60 HydrophobicContact CB-CD1 4.41Å; V25-L60 HydrophobicContact CG2-CD1 4.13Å; V25-L60 WeakPolarHBondContact O-CD1 3.45Å; I26-L60 HydrophobicContact CG2-CD1 4Å; M43-L60 HydrophobicContact CE-CD2 4.06Å; M43-L60 HydrophobicContact SD-CD2 4.33Å; H49-L60 HydrophobicContact CB-CD2 3.46Å; H49-L60 VanDerWaalsContact CB-CD2 3.46Å; H49-L60 VanDerWaalsContact CD2-CD2 3.45Å; H49-L60 WeakPolarHBondContact CD2-CD2 3.32Å; L56-L60 HydrophobicContact CD1-CB 4.48Å; L56-L60 HydrophobicContact CD1-CD2 3.81Å; L56-L60 HydrophobicContact CD1-CG 4.26Å; H57-L60 HydrophobicContact CB-CB 4.26Å; H57-L60 PolarHBondContact O-N 3.31Å; G58-L60 PolarHBondContact O-N 3.38Å; L60-A62 VanDerWaalsContact C-N 3.26Å; L60-A62 PolarHBondContact O-N 2.95Å; L60-T63 CarbonylContact O-C 3.54Å; L60-T63 WeakPolarHBondContact O-CA 3.46Å; L60-T63 WeakPolarHBondContact O-CB 3.36Å; L60-T63 PolarHBondContact O-N 3.08Å; L60-L64 HydrophobicContact CD1-CG 4.46Å; L60-L64 HydrophobicContact CG-CD1 4.32Å; L60-L64 HydrophobicContact CG-CG 4.47Å; L60-L64 WeakPolarHBondContact O-CG 3.2Å; L60-L64 PolarHBondContact O-N 2.86Å
61	T	98.9	Very high	98.3	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.012	20%	0.203	C	C	.	.	H	α-helix	trans	-53.5	-43.8	170.5	-63.8	0	0	0	0	111.8	L56 H57 G58 T63 L64 V65 I89 Y91 L121 A131	L56-T61 WeakPolarHBondContact CD2-OG1 3.13Å; H57-T61 PolarHBondContact O-N 3.29Å; H57-T61 PolarHBondContact O-OG1 2.83Å; G58-T61 WeakPolarHBondContact O-CB 3.31Å; G58-T61 PolarHBondContact O-N 2.96Å; T61-T63 VanDerWaalsContact C-N 3.33Å; T61-T63 PolarHBondContact O-N 3.12Å; T61-L64 PolarHBondContact O-N 2.9Å; T61-V65 WeakPolarHBondContact O-CG2 3.35Å; T61-V65 PolarHBondContact O-N 3.49Å; T61-I89 HydrophobicContact CG2-CG2 4.3Å; T61-Y91 HydrophobicContact CG2-CD1 4.3Å; T61-Y91 HydrophobicContact CG2-CE1 3.67Å; T61-L121 HydrophobicContact CG2-CD1 4.21Å; T61-L121 HydrophobicContact CG2-CD2 3.83Å; T61-A131 HydrophobicContact CG2-CB 3.7Å
62	A	98.9	Very high	98.3	Very high	21 Å²	21	32.1 Å²	32.1	17%	0.174	19%	0.19	C	C	.	.	H	α-helix	trans	-63.3	-38.7	175.5	0	0	0	0	0	113.1	G58 G59 L60 V65 D66 M87 I89	G58-A62 PolarHBondContact O-N 2.84Å; G59-A62 PolarHBondContact O-N 3.5Å; L60-A62 VanDerWaalsContact C-N 3.26Å; L60-A62 PolarHBondContact O-N 2.95Å; A62-V65 PolarHBondContact O-N 3.23Å; A62-D66 PolarHBondContact O-N 3.11Å; A62-M87 HydrophobicContact CB-CE 4.21Å; A62-I89 HydrophobicContact CB-CD1 3.4Å
63	T	98.8	Very high	98.3	Very high	11 Å²	11	19.4 Å²	19.4	7%	0.067	14%	0.142	C	C	.	.	H	α-helix	trans	-64.7	-41.8	174.8	-50.7	0	0	0	0	111.3	F22 V25 I26 G59 L60 T61 V65 D66 V67	F22-T63 HydrophobicContact CD1-CG2 4.24Å; F22-T63 HydrophobicContact CE1-CG2 3.65Å; F22-T63 VanDerWaalsContact CE1-OG1 3.32Å; F22-T63 WeakPolarHBondContact CE1-OG1 3.15Å; V25-T63 HydrophobicContact CG2-CG2 3.82Å; I26-T63 HydrophobicContact CG2-CG2 3.94Å; G59-T63 PolarHBondContact O-N 3.47Å; G59-T63 PolarHBondContact O-OG1 3.46Å; L60-T63 CarbonylContact O-C 3.54Å; L60-T63 WeakPolarHBondContact O-CA 3.46Å; L60-T63 WeakPolarHBondContact O-CB 3.36Å; L60-T63 PolarHBondContact O-N 3.08Å; T61-T63 VanDerWaalsContact C-N 3.33Å; T61-T63 PolarHBondContact O-N 3.12Å; T63-V65 PolarHBondContact O-N 2.95Å; T63-D66 PolarHBondContact O-N 2.9Å; T63-V67 HydrophobicContact CG2-CG2 4.17Å; T63-V67 WeakPolarHBondContact O-CG2 3.26Å; T63-V67 PolarHBondContact O-N 2.91Å
64	L	98.8	Very high	98.1	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.7	-41.5	175.1	-67	168.9	0	0	0	111.5	I26 V29 M43 L60 T61 I68 I103 L121	I26-L64 HydrophobicContact CG2-CD2 3.83Å; V29-L64 HydrophobicContact CG2-CD2 3.55Å; M43-L64 HydrophobicContact CE-CD1 3.97Å; M43-L64 HydrophobicContact SD-CD1 4.4Å; M43-L64 HydrophobicContact SD-CD2 4.46Å; L60-L64 HydrophobicContact CD1-CG 4.46Å; L60-L64 HydrophobicContact CG-CD1 4.32Å; L60-L64 HydrophobicContact CG-CG 4.47Å; L60-L64 WeakPolarHBondContact O-CG 3.2Å; L60-L64 PolarHBondContact O-N 2.86Å; T61-L64 PolarHBondContact O-N 2.9Å; L64-I68 VanDerWaalsContact O-CB 3.26Å; L64-I68 WeakPolarHBondContact O-CB 3.35Å; L64-I68 WeakPolarHBondContact O-CG1 3.41Å; L64-I68 PolarHBondContact O-N 2.74Å; L64-I68 VanDerWaalsContact O-N 3.08Å; L64-I103 HydrophobicContact CB-CG2 4.43Å; L64-I103 HydrophobicContact CD1-CG1 4.25Å; L64-I103 HydrophobicContact CD2-CG1 4.49Å; L64-L121 HydrophobicContact CB-CD2 4.4Å; L64-L121 HydrophobicContact CD1-CD2 3.84Å
65	V	98.9	Very high	98	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.1	-48.9	173.7	174.9	0	0	0	0	110.5	T61 A62 T63 S69 M87 I89 V119 L121	T61-V65 WeakPolarHBondContact O-CG2 3.35Å; T61-V65 PolarHBondContact O-N 3.49Å; A62-V65 PolarHBondContact O-N 3.23Å; T63-V65 PolarHBondContact O-N 2.95Å; V65-S69 WeakPolarHBondContact O-CB 3.33Å; V65-S69 PolarHBondContact O-N 3.27Å; V65-S69 PolarHBondContact O-OG 3.33Å; V65-M87 HydrophobicContact CB-SD 3.99Å; V65-M87 HydrophobicContact CG1-CG 4.04Å; V65-M87 HydrophobicContact CG1-SD 3.6Å; V65-I89 HydrophobicContact CB-CD1 4.38Å; V65-I89 HydrophobicContact CG2-CD1 4.23Å; V65-I89 HydrophobicContact CG2-CG1 4.3Å; V65-V119 HydrophobicContact CB-CB 4.41Å; V65-V119 HydrophobicContact CB-CG2 4.46Å; V65-V119 HydrophobicContact CG1-CB 4.15Å; V65-V119 HydrophobicContact CG1-CG2 3.97Å; V65-V119 HydrophobicContact CG2-CB 4.13Å; V65-V119 HydrophobicContact CG2-CG1 4.3Å; V65-L121 HydrophobicContact CG2-CD1 3.91Å
66	D	98.8	Very high	97.6	Very high	45 Å²	45	17.2 Å²	17.2	24%	0.241	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-54.4	-178.4	179.9	76.1	0	0	0	112.4	A62 T63 S69 T70 S84 M87 H135	A62-D66 PolarHBondContact O-N 3.11Å; T63-D66 PolarHBondContact O-N 2.9Å; D66-S69 PolarHBondContact O-OG 3.29Å; D66-T70 WeakPolarHBondContact O-CB 3.34Å; D66-T70 PolarHBondContact O-N 2.84Å; D66-T70 PolarHBondContact O-OG1 2.86Å; D66-S84 PolarHBondContact OD1-OG 3.07Å; D66-S84 VanDerWaalsContact OD1-OG 3.05Å; D66-M87 HydrophobicContact CB-CE 4.12Å; D66-M87 HydrophobicContact CB-SD 3.92Å; D66-H135 IonicContact OD1-CE1 2.92Å; D66-H135 PolarHBondContact OD1-CE1 2.84Å; D66-H135 IonicContact OD1-ND1 3.83Å; D66-H135 IonicContact OD1-NE2 3.54Å
67	V	98.2	Very high	97.1	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.036	15%	0.146	C	C	.	.	H	α-helix	trans	-73.4	-45.9	-172	-179.8	0	0	0	0	111.5	M16 I26 T63 S69 T70 M71	M16-V67 HydrophobicContact CE-CG1 3.79Å; M16-V67 HydrophobicContact SD-CG1 4.34Å; I26-V67 HydrophobicContact CD1-CB 3.99Å; I26-V67 HydrophobicContact CD1-CG1 3.53Å; I26-V67 HydrophobicContact CD1-CG2 4.17Å; T63-V67 HydrophobicContact CG2-CG2 4.17Å; T63-V67 WeakPolarHBondContact O-CG2 3.26Å; T63-V67 PolarHBondContact O-N 2.91Å; V67-S69 PolarHBondContact O-N 3.28Å; V67-T70 WeakPolarHBondContact O-CA 3.5Å; V67-T70 WeakPolarHBondContact O-CB 3.46Å; V67-T70 PolarHBondContact O-N 2.76Å; V67-T70 VanDerWaalsContact O-N 3.12Å; V67-M71 WeakPolarHBondContact O-CG 3.21Å; V67-M71 PolarHBondContact O-N 3.37Å
68	I	98.5	Very high	96.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-72.7	-32.5	-174.6	-51.5	-51	0	0	0	111	M13 V29 V39 C41 L64 M71 A72 I103 A105	M13-I68 HydrophobicContact CE-CD1 4.23Å; V29-I68 HydrophobicContact CG1-CD1 4.41Å; V39-I68 HydrophobicContact CB-CG2 4.36Å; V39-I68 HydrophobicContact CG1-CG2 4.04Å; C41-I68 HydrophobicContact CB-CD1 4.39Å; L64-I68 VanDerWaalsContact O-CB 3.26Å; L64-I68 WeakPolarHBondContact O-CB 3.35Å; L64-I68 WeakPolarHBondContact O-CG1 3.41Å; L64-I68 PolarHBondContact O-N 2.74Å; L64-I68 VanDerWaalsContact O-N 3.08Å; I68-M71 HydrophobicContact CD1-SD 4.08Å; I68-M71 PolarHBondContact O-N 2.91Å; I68-A72 PolarHBondContact O-N 3.38Å; I68-I103 HydrophobicContact CB-CG2 4.07Å; I68-I103 HydrophobicContact CG1-CG2 3.96Å; I68-I103 HydrophobicContact CG2-CG2 4.14Å; I68-A105 HydrophobicContact CB-CB 4.39Å; I68-A105 HydrophobicContact CG2-CB 3.8Å; I68-A105 WeakPolarHBondContact O-CB 3.39Å
69	S	98.7	Very high	96.1	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.3	-38.2	168.4	62.4	0	0	0	0	112.7	V65 D66 V67 M71 A72 I73 H135	V65-S69 WeakPolarHBondContact O-CB 3.33Å; V65-S69 PolarHBondContact O-N 3.27Å; V65-S69 PolarHBondContact O-OG 3.33Å; D66-S69 PolarHBondContact O-OG 3.29Å; V67-S69 PolarHBondContact O-N 3.28Å; S69-M71 VanDerWaalsContact C-N 3.32Å; S69-M71 PolarHBondContact O-N 3.46Å; S69-A72 PolarHBondContact O-N 2.86Å; S69-I73 VanDerWaalsContact O-CG1 3.29Å; S69-I73 WeakPolarHBondContact O-CG1 3.38Å; S69-I73 PolarHBondContact O-N 3.05Å; S69-H135 PolarHBondContact OG-ND1 2.83Å
70	T	97.7	Very high	95.7	Very high	22 Å²	22	25.4 Å²	25.4	14%	0.135	14%	0.138	C	C	.	.	H	α-helix	trans	-60.4	-43.3	173.9	-62.1	0	0	0	0	111.1	D66 V67 A72 I73 M74 P81 K137	D66-T70 WeakPolarHBondContact O-CB 3.34Å; D66-T70 PolarHBondContact O-N 2.84Å; D66-T70 PolarHBondContact O-OG1 2.86Å; V67-T70 WeakPolarHBondContact O-CA 3.5Å; V67-T70 WeakPolarHBondContact O-CB 3.46Å; V67-T70 PolarHBondContact O-N 2.76Å; V67-T70 VanDerWaalsContact O-N 3.12Å; T70-A72 PolarHBondContact O-N 3.17Å; T70-I73 PolarHBondContact O-N 2.9Å; T70-M74 WeakPolarHBondContact O-CB 3.3Å; T70-M74 PolarHBondContact O-N 3.33Å; T70-P81 HydrophobicContact CG2-CB 3.78Å; T70-K137 PolarHBondContact OG1-NZ 2.86Å
71	M	96.8	Very high	95.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-60.1	-44.2	174.1	-69.3	-176.5	69	0	0	111.9	L9 M13 M16 V31 V39 V67 I68 S69 M74 Y75	L9-M71 HydrophobicContact CB-CE 3.95Å; L9-M71 HydrophobicContact CD2-CE 3.87Å; L9-M71 HydrophobicContact CG-CE 4.39Å; M13-M71 HydrophobicContact CB-CE 4.2Å; M13-M71 HydrophobicContact SD-SD 4.4Å; M16-M71 HydrophobicContact CE-CG 4.2Å; M16-M71 HydrophobicContact CE-SD 3.98Å; V31-M71 HydrophobicContact CG2-CE 3.93Å; V39-M71 HydrophobicContact CG2-CB 4.32Å; V67-M71 WeakPolarHBondContact O-CG 3.21Å; V67-M71 PolarHBondContact O-N 3.37Å; I68-M71 HydrophobicContact CD1-SD 4.08Å; I68-M71 PolarHBondContact O-N 2.91Å; S69-M71 VanDerWaalsContact C-N 3.32Å; S69-M71 PolarHBondContact O-N 3.46Å; M71-M74 PolarHBondContact O-N 2.81Å; M71-Y75 VanDerWaalsContact O-CB 3.24Å; M71-Y75 WeakPolarHBondContact O-CB 3.44Å; M71-Y75 PolarHBondContact O-N 3.18Å
72	A	97.4	Very high	95.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.3	-39.4	177	0	0	0	0	0	112.9	G37 V39 I68 S69 T70 Y75 A105 V107	G37-A72 WeakPolarHBondContact CA-O 3.46Å; V39-A72 HydrophobicContact CB-CB 4.31Å; V39-A72 HydrophobicContact CG2-CB 4.1Å; I68-A72 PolarHBondContact O-N 3.38Å; S69-A72 PolarHBondContact O-N 2.86Å; T70-A72 PolarHBondContact O-N 3.17Å; A72-Y75 PolarHBondContact O-N 2.72Å; A72-A105 HydrophobicContact CB-CB 3.86Å; A72-V107 HydrophobicContact CB-CG2 4.2Å
73	I	96.7	Very high	95.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-67.2	-45	176.7	-68.9	166.2	0	0	0	110.9	S69 T70 Y75 T76 A80 V107 A115 A117 K137 L139	S69-I73 VanDerWaalsContact O-CG1 3.29Å; S69-I73 WeakPolarHBondContact O-CG1 3.38Å; S69-I73 PolarHBondContact O-N 3.05Å; T70-I73 PolarHBondContact O-N 2.9Å; I73-Y75 VanDerWaalsContact C-N 3.26Å; I73-Y75 PolarHBondContact O-N 2.92Å; I73-T76 WeakPolarHBondContact O-CB 3.29Å; I73-T76 WeakPolarHBondContact O-CG2 3.44Å; I73-T76 PolarHBondContact O-OG1 2.95Å; I73-A80 WeakPolarHBondContact CG2-O 3.26Å; I73-V107 HydrophobicContact CB-CG2 4.44Å; I73-V107 HydrophobicContact CG1-CG2 3.85Å; I73-A115 HydrophobicContact CD1-CB 3.86Å; I73-A115 HydrophobicContact CG1-CB 3.99Å; I73-A115 HydrophobicContact CG2-CB 3.75Å; I73-A117 HydrophobicContact CD1-CB 4.21Å; I73-A117 HydrophobicContact CG1-CB 4.32Å; I73-K137 HydrophobicContact CD1-CB 4.31Å; I73-K137 HydrophobicContact CD1-CD 3.83Å; I73-K137 HydrophobicContact CD1-CG 3.88Å; I73-L139 HydrophobicContact CG2-CD2 3.86Å
74	M	94.2	Very high	95.2	Very high	30 Å²	30	34.8 Å²	34.8	15%	0.148	20%	0.201	C	C	.	.	H	α-helix	trans	-65.5	-31.9	176.9	-177.8	-177.6	57.6	0	0	111.6	L4 L9 I12 T70 M71 T76 G79 P81	L4-M74 HydrophobicContact CD1-CG 4.42Å; L9-M74 HydrophobicContact CD2-CE 4.14Å; I12-M74 HydrophobicContact CD1-CE 3.72Å; I12-M74 HydrophobicContact CD1-SD 4.32Å; I12-M74 HydrophobicContact CG2-CE 4.02Å; T70-M74 WeakPolarHBondContact O-CB 3.3Å; T70-M74 PolarHBondContact O-N 3.33Å; M71-M74 PolarHBondContact O-N 2.81Å; M74-T76 PolarHBondContact O-N 3.06Å; M74-G79 WeakPolarHBondContact O-CA 3.49Å; M74-P81 HydrophobicContact CB-CB 4.49Å
75	Y	93.3	Very high	95.2	Very high	24 Å²	24	39.2 Å²	39.2	9%	0.094	23%	0.228	C	C	.	.	S	Bend	trans	-79.9	52.4	175.5	-156.1	-107.1	0	0	0	111.9	L4 L9 A34 S35 P36 G37 M71 A72 I73	L4-Y75 HydrophobicContact CB-CD2 3.31Å; L4-Y75 HydrophobicContact CB-CE2 3.24Å; L4-Y75 HydrophobicContact CB-CG 4.49Å; L4-Y75 HydrophobicContact CD1-CD2 3.93Å; L4-Y75 HydrophobicContact CG-CD2 4.25Å; L4-Y75 WeakPolarHBondContact O-CE2 3.43Å; L4-Y75 PolarHBondContact O-OH 2.87Å; L9-Y75 HydrophobicContact CD1-CD1 4.31Å; L9-Y75 HydrophobicContact CD1-CD2 3.42Å; L9-Y75 VanDerWaalsContact CD1-CD2 3.42Å; L9-Y75 HydrophobicContact CD1-CE1 4.45Å; L9-Y75 HydrophobicContact CD1-CE2 3.53Å; L9-Y75 HydrophobicContact CD1-CG 3.81Å; L9-Y75 HydrophobicContact CD2-CD2 3.74Å; L9-Y75 HydrophobicContact CD2-CE2 4.4Å; L9-Y75 HydrophobicContact CD2-CG 4.36Å; L9-Y75 HydrophobicContact CG-CD2 3.53Å; L9-Y75 HydrophobicContact CG-CE2 3.7Å; L9-Y75 HydrophobicContact CG-CG 4.33Å; A34-Y75 HydrophobicContact CB-CD1 4.38Å; A34-Y75 HydrophobicContact CB-CE1 3.98Å; S35-Y75 VanDerWaalsContact C-CD1 3.44Å; S35-Y75 VanDerWaalsContact O-CD1 3.27Å; S35-Y75 WeakPolarHBondContact O-CD1 3.41Å; P36-Y75 CarbonylContact C-O 3.6Å; P36-Y75 WeakPolarHBondContact CA-O 3.09Å; G37-Y75 PolarHBondContact N-O 3.06Å; M71-Y75 VanDerWaalsContact O-CB 3.24Å; M71-Y75 WeakPolarHBondContact O-CB 3.44Å; M71-Y75 PolarHBondContact O-N 3.18Å; A72-Y75 PolarHBondContact O-N 2.72Å; I73-Y75 VanDerWaalsContact C-N 3.26Å; I73-Y75 PolarHBondContact O-N 2.92Å
76	T	91.4	Very high	95.2	Very high	23 Å²	23	43.1 Å²	43.1	14%	0.141	25%	0.249	C	C	.	.	S	Bend	trans	-133.5	171	173.8	58.7	0	0	0	0	108.6	I73 M74 R78 G79 V107 Q110	I73-T76 WeakPolarHBondContact O-CB 3.29Å; I73-T76 WeakPolarHBondContact O-CG2 3.44Å; I73-T76 PolarHBondContact O-OG1 2.95Å; M74-T76 PolarHBondContact O-N 3.06Å; T76-R78 PolarHBondContact O-N 2.58Å; T76-G79 PolarHBondContact O-N 2.81Å; T76-V107 HydrophobicContact CG2-CG2 4.39Å; T76-Q110 VanDerWaalsContact CB-OE1 3.29Å; T76-Q110 PolarHBondContact OG1-NE2 2.77Å; T76-Q110 PolarHBondContact OG1-OE1 2.98Å
77	E	87.9	Confident	95.2	Very high	194 Å²	194	44.3 Å²	44.3	91%	0.907	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-33.3	179.4	-66.1	-175.5	168.8	0	0	113.2	G79	E77-G79 VanDerWaalsContact C-N 3.3Å; E77-G79 PolarHBondContact O-N 2.99Å
78	R	88.8	Confident	95.2	Very high	80 Å²	80	47.4 Å²	47.4	30%	0.302	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-27.8	179.2	-172.7	176.7	175.9	156.4	2.5	112.9	T76 A80 G111 K112 L139 G140	T76-R78 PolarHBondContact O-N 2.58Å; R78-A80 HydrophobicContact CG-CB 3.99Å; R78-A80 PolarHBondContact O-N 3.45Å; R78-G111 PolarHBondContact NH1-O 2.82Å; R78-K112 VanDerWaalsContact NH1-C 3.33Å; R78-K112 PolarHBondContact NH1-O 3.48Å; R78-K112 PolarHBondContact NH2-O 3.22Å; R78-K112 VanDerWaalsContact NH2-O 3.13Å; R78-L139 VanDerWaalsContact NH1-CD1 3.31Å; R78-L139 VanDerWaalsContact NH2-CB 3.33Å; R78-L139 PolarHBondContact NH2-O 3.34Å; R78-G140 PolarHBondContact NH2-O 2.69Å
79	G	88.6	Confident	95.2	Very high	37 Å²	37	49.1 Å²	49.1	38%	0.381	28%	0.279	S	S	.	.			trans	65.2	10.3	177.1	0	0	0	0	0	115.9	M74 T76 E77	M74-G79 WeakPolarHBondContact O-CA 3.49Å; T76-G79 PolarHBondContact O-N 2.81Å; E77-G79 VanDerWaalsContact C-N 3.3Å; E77-G79 PolarHBondContact O-N 2.99Å
80	A	89.8	Confident	95.2	Very high	22 Å²	22	53.3 Å²	53.3	18%	0.182	31%	0.305	C	S	.	.			trans	-97.1	121.5	-173	0	0	0	0	0	111.3	I73 R78 G82 L139	I73-A80 WeakPolarHBondContact CG2-O 3.26Å; R78-A80 HydrophobicContact CG-CB 3.99Å; R78-A80 PolarHBondContact O-N 3.45Å; A80-G82 VanDerWaalsContact C-N 3.3Å; A80-G82 PolarHBondContact O-N 2.88Å; A80-L139 HydrophobicContact CB-CD2 4.46Å
81	P	92.4	Very high	95.3	Very high	64 Å²	64	58.1 Å²	58.1	42%	0.416	32%	0.321	S	S	.	.			trans	-72	-24.6	-179	28.9	-35.3	0	0	0	113.2	T70 M74 K137	T70-P81 HydrophobicContact CG2-CB 3.78Å; M74-P81 HydrophobicContact CB-CB 4.49Å; P81-K137 WeakPolarHBondContact O-CD 3.36Å; P81-K137 WeakPolarHBondContact O-CE 3.49Å; P81-K137 PolarHBondContact O-NZ 2.9Å
82	G	95.4	Very high	95.4	Very high	18 Å²	18	61.9 Å²	61.9	19%	0.186	34%	0.34	C	S	.	.			trans	63.3	173.9	-176.9	0	0	0	0	0	114.7	A80 K137 H138	A80-G82 VanDerWaalsContact C-N 3.3Å; A80-G82 PolarHBondContact O-N 2.88Å; G82-K137 WeakPolarHBondContact O-CE 3.19Å; G82-K137 PolarHBondContact O-NZ 2.9Å; G82-H138 CarbonylContact C-O 3.54Å; G82-H138 WeakPolarHBondContact CA-O 3.37Å
83	V	97.7	Very high	95.4	Very high	107 Å²	107	66 Å²	66	65%	0.648	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.9	176.2	-178	0	0	0	0	109.1	V85 K137 H138	V83-V85 PolarHBondContact O-N 3.47Å; V83-K137 CarbonylContact O-C 3.58Å; V83-K137 WeakPolarHBondContact O-CA 3.49Å; V83-H138 PolarHBondContact N-O 3.3Å; V83-H138 PolarHBondContact O-N 2.9Å
84	S	98.6	Very high	95.5	Very high	57 Å²	57	69 Å²	69	40%	0.399	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	132	-176.8	-48.1	0	0	0	0	111.2	D66 H135 K137	D66-S84 PolarHBondContact OD1-OG 3.07Å; D66-S84 VanDerWaalsContact OD1-OG 3.05Å; S84-H135 WeakPolarHBondContact CB-NE2 3.28Å; S84-H135 PolarHBondContact OG-CE1 3.21Å; S84-H135 VanDerWaalsContact OG-CE1 3.31Å; S84-H135 PolarHBondContact OG-NE2 3.22Å; S84-K137 WeakPolarHBondContact OG-CE 3.21Å
85	V	98.6	Very high	95.7	Very high	92 Å²	92	67.6 Å²	67.6	56%	0.558	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	-46.6	178.8	174.1	0	0	0	0	110.7	V83 L114 T136 H138	V83-V85 PolarHBondContact O-N 3.47Å; V85-L114 HydrophobicContact CG2-CD2 4.26Å; V85-T136 HydrophobicContact CB-CG2 4.27Å; V85-T136 PolarHBondContact N-O 3.04Å; V85-H138 HydrophobicContact CG2-CB 3.64Å
86	D	98.8	Very high	96	Very high	83 Å²	83	72.7 Å²	72.7	44%	0.444	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	139.9	178.6	175	-105.3	0	0	0	109.4	N88 H135 T136	D86-N88 PolarHBondContact OD1-ND2 2.83Å; D86-H135 PolarHBondContact O-CD2 3.47Å; D86-T136 PolarHBondContact N-O 3.05Å; D86-T136 PolarHBondContact O-N 3.41Å
87	M	98.9	Very high	96.3	Very high	69 Å²	69	76 Å²	76	34%	0.34	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	128.8	171.4	-172.5	168.5	63.2	0	0	109.9	A62 V65 D66 I89 R134 H135	A62-M87 HydrophobicContact CB-CE 4.21Å; V65-M87 HydrophobicContact CB-SD 3.99Å; V65-M87 HydrophobicContact CG1-CG 4.04Å; V65-M87 HydrophobicContact CG1-SD 3.6Å; D66-M87 HydrophobicContact CB-CE 4.12Å; D66-M87 HydrophobicContact CB-SD 3.92Å; M87-I89 HydrophobicContact CE-CD1 4.49Å; M87-I89 HydrophobicContact CG-CG1 4.45Å; M87-R134 WeakPolarHBondContact CA-O 3.32Å; M87-H135 HydrophobicContact CG-CB 4.43Å
88	N	98.8	Very high	96.8	Very high	72 Å²	72	67.8 Å²	67.8	39%	0.385	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	149.5	174.1	58.3	77.1	0	0	0	110.3	D86 G133 R134	D86-N88 PolarHBondContact OD1-ND2 2.83Å; N88-G133 CarbonylContact O-C 3.51Å; N88-G133 WeakPolarHBondContact O-CA 3.44Å; N88-R134 PolarHBondContact N-O 2.93Å; N88-R134 PolarHBondContact O-N 3.31Å
89	I	98.9	Very high	97.3	Very high	36 Å²	36	66.7 Å²	66.7	19%	0.185	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	129	-175.7	-52.3	169.2	0	0	0	109.2	T61 A62 V65 M87 Y91 A131 Q132	T61-I89 HydrophobicContact CG2-CG2 4.3Å; A62-I89 HydrophobicContact CB-CD1 3.4Å; V65-I89 HydrophobicContact CB-CD1 4.38Å; V65-I89 HydrophobicContact CG2-CD1 4.23Å; V65-I89 HydrophobicContact CG2-CG1 4.3Å; M87-I89 HydrophobicContact CE-CD1 4.49Å; M87-I89 HydrophobicContact CG-CG1 4.45Å; I89-Y91 HydrophobicContact CB-CE2 4.08Å; I89-Y91 HydrophobicContact CG2-CD1 4.34Å; I89-Y91 HydrophobicContact CG2-CD2 4.3Å; I89-Y91 HydrophobicContact CG2-CE1 3.88Å; I89-Y91 HydrophobicContact CG2-CE2 3.82Å; I89-A131 HydrophobicContact CG2-CB 4.18Å; I89-Q132 WeakPolarHBondContact CA-O 3.5Å
90	T	98.9	Very high	97.7	Very high	88 Å²	88	67.6 Å²	67.6	54%	0.54	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.4	169.7	-58.9	0	0	0	0	109.1	M92 A131 Q132	T90-M92 HydrophobicContact CG2-CG 4.2Å; T90-A131 CarbonylContact O-C 3.59Å; T90-A131 WeakPolarHBondContact O-CA 3.23Å; T90-A131 WeakPolarHBondContact O-CB 3.34Å; T90-Q132 PolarHBondContact N-O 3.1Å; T90-Q132 PolarHBondContact O-N 2.86Å
91	Y	98.8	Very high	98.2	Very high	123 Å²	123	66.5 Å²	66.5	48%	0.482	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.1	177.7	-56.7	-90.5	0	0	0	109.3	G58 T61 I89 A131	G58-Y91 PolarHBondContact O-OH 3.03Å; G58-Y91 VanDerWaalsContact O-OH 3.11Å; T61-Y91 HydrophobicContact CG2-CD1 4.3Å; T61-Y91 HydrophobicContact CG2-CE1 3.67Å; I89-Y91 HydrophobicContact CB-CE2 4.08Å; I89-Y91 HydrophobicContact CG2-CD1 4.34Å; I89-Y91 HydrophobicContact CG2-CD2 4.3Å; I89-Y91 HydrophobicContact CG2-CE1 3.88Å; I89-Y91 HydrophobicContact CG2-CE2 3.82Å; Y91-A131 HydrophobicContact CD1-CB 4.16Å
92	M	98.6	Very high	98.5	Very high	81 Å²	81	65.6 Å²	65.6	40%	0.399	36%	0.362	S	S	.	.			trans	-114.4	-39.4	-171.6	-69.8	168.9	-82.2	0	0	112.7	T90 L129 I130 Q132	T90-M92 HydrophobicContact CG2-CG 4.2Å; M92-L129 HydrophobicContact CE-CB 3.67Å; M92-L129 HydrophobicContact CE-CD1 4.11Å; M92-L129 HydrophobicContact CE-CG 4.37Å; M92-L129 HydrophobicContact SD-CB 4.06Å; M92-L129 HydrophobicContact SD-CD1 4.28Å; M92-I130 PolarHBondContact N-O 3.17Å; M92-Q132 HydrophobicContact CE-CB 3.73Å
93	N	98.7	Very high	98.6	Very high	85 Å²	85	64.7 Å²	64.7	46%	0.455	35%	0.354	S	S	.	.	S	Bend	trans	-139.2	154.9	179.5	-68	-83.4	0	0	0	110.4	L129 I130	N93-L129 WeakPolarHBondContact CB-O 3.24Å; N93-L129 PolarHBondContact ND2-O 2.76Å; N93-I130 PolarHBondContact N-O 3.19Å; N93-I130 VanDerWaalsContact N-O 3.07Å; N93-I130 WeakPolarHBondContact O-CG2 3.35Å
94	A	98.3	Very high	98.7	Very high	64 Å²	64	61.3 Å²	61.3	53%	0.529	33%	0.333	S	S	.	.			trans	-82.5	149.1	171	0	0	0	0	0	110.9	T55	T55-A94 HydrophobicContact CG2-CB 3.86Å
95	A	98.6	Very high	98.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.314	C	S	.	.			trans	-115.1	122.9	165.6	0	0	0	0	0	108.6	V45 T55 L56 V101 I130	V45-A95 HydrophobicContact CG2-CB 4.14Å; T55-A95 CarbonylContact C-O 3.6Å; T55-A95 VanDerWaalsContact CA-O 3.31Å; T55-A95 WeakPolarHBondContact CA-O 3.46Å; L56-A95 HydrophobicContact CB-CB 4.05Å; L56-A95 HydrophobicContact CD2-CB 4.42Å; L56-A95 PolarHBondContact N-O 2.97Å; A95-V101 HydrophobicContact CB-CG2 3.92Å; A95-I130 HydrophobicContact CB-CD1 3.7Å; A95-I130 HydrophobicContact CB-CG1 4.13Å; A95-I130 HydrophobicContact CB-CG2 4.3Å
96	K	98.5	Very high	98.7	Very high	131 Å²	131	57.3 Å²	57.3	57%	0.57	30%	0.302	S	S	*	.	B	Isolated β-bridge	trans	-86.9	162.5	-176.4	-61.9	178.4	-179.9	-179.4	0	111.6	V45 T55 G98 E99	V45-K96 WeakPolarHBondContact CB-O 3.41Å; T55-K96 HydrophobicContact CG2-CG 4.35Å; K96-G98 PolarHBondContact O-N 3.41Å; K96-E99 HydrophobicContact CB-CG 4.45Å; K96-E99 WeakPolarHBondContact CB-OE1 3.29Å; K96-E99 PolarHBondContact N-OE1 2.82Å; K96-E99 VanDerWaalsContact N-OE1 3.07Å; K96-E99 WeakPolarHBondContact O-CB 3.35Å; K96-E99 PolarHBondContact O-N 2.91Å
97	I	98.6	Very high	98.7	Very high	92 Å²	92	54.3 Å²	54.3	47%	0.472	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	128.1	167.2	-61.8	177	0	0	0	108.7	T50	T50-I97 HydrophobicContact CG2-CD1 3.97Å; T50-I97 HydrophobicContact CG2-CG1 3.47Å; T50-I97 VanDerWaalsContact CG2-CG1 3.47Å
98	G	98.4	Very high	98.7	Very high	22 Å²	22	55 Å²	55	23%	0.227	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.7	6.9	178.1	0	0	0	0	0	116.7	R44 V45 K96	R44-G98 VanDerWaalsContact CZ-CA 3.45Å; R44-G98 PolarHBondContact NE-O 3.48Å; R44-G98 VanDerWaalsContact NE-O 3.09Å; R44-G98 PolarHBondContact NH1-O 3.2Å; R44-G98 PolarHBondContact NH2-O 2.98Å; V45-G98 PolarHBondContact O-N 3.46Å; K96-G98 PolarHBondContact O-N 3.41Å
99	E	98.5	Very high	98.6	Very high	58 Å²	58	58 Å²	58	27%	0.271	30%	0.301	S	S	.	.			trans	-86.1	143.1	165.5	-66.5	179.1	-145	0	0	110.9	R44 V45 K96	R44-E99 VanDerWaalsContact CD-O 3.3Å; R44-E99 WeakPolarHBondContact CD-O 3.36Å; V45-E99 PolarHBondContact N-O 3.42Å; K96-E99 HydrophobicContact CB-CG 4.45Å; K96-E99 WeakPolarHBondContact CB-OE1 3.29Å; K96-E99 PolarHBondContact N-OE1 2.82Å; K96-E99 VanDerWaalsContact N-OE1 3.07Å; K96-E99 WeakPolarHBondContact O-CB 3.35Å; K96-E99 PolarHBondContact O-N 2.91Å
100	D	98.8	Very high	98.5	Very high	55 Å²	55	59.5 Å²	59.5	29%	0.294	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	127.2	169.3	-61.6	-59.5	0	0	0	109.5	R44 K124	R44-D100 WeakPolarHBondContact CD-OD1 3.46Å; R44-D100 IonicContact NE-OD1 3.64Å; R44-D100 PolarHBondContact NE-OD1 2.96Å; R44-D100 IonicContact NE-OD2 2.87Å; D100-K124 HydrophobicContact CB-CB 3.88Å; D100-K124 HydrophobicContact CB-CD 3.99Å; D100-K124 VanDerWaalsContact O-CB 3.29Å; D100-K124 WeakPolarHBondContact O-CB 3.41Å; D100-K124 PolarHBondContact O-N 2.82Å
101	V	98.8	Very high	98.3	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129.2	-178.2	179	0	0	0	0	109.2	E42 M43 V45 A95 I103 L121 S122 I130	E42-V101 CarbonylContact C-O 3.51Å; E42-V101 VanDerWaalsContact CA-O 3.31Å; E42-V101 WeakPolarHBondContact CA-O 3.27Å; M43-V101 PolarHBondContact N-O 2.8Å; M43-V101 PolarHBondContact O-N 2.88Å; V45-V101 HydrophobicContact CG2-CG2 3.72Å; A95-V101 HydrophobicContact CB-CG2 3.92Å; V101-I103 HydrophobicContact CG1-CD1 4.32Å; V101-I103 HydrophobicContact CG1-CG1 4.33Å; V101-L121 HydrophobicContact CG1-CB 4.16Å; V101-L121 HydrophobicContact CG1-CD2 4.31Å; V101-L121 HydrophobicContact CG1-CG 4.49Å; V101-S122 CarbonylContact C-O 3.46Å; V101-S122 WeakPolarHBondContact CA-O 3.27Å; V101-I130 HydrophobicContact CB-CD1 4.24Å; V101-I130 HydrophobicContact CG1-CD1 3.73Å; V101-I130 HydrophobicContact CG2-CD1 3.64Å
102	L	98.8	Very high	98.1	Very high	44 Å²	44	59.2 Å²	59.2	23%	0.23	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	132.2	168.1	-68.2	177.5	0	0	0	109.6	C41 E42 L121 S122 K124	C41-L102 WeakPolarHBondContact O-CA 3.27Å; E42-L102 HydrophobicContact CB-CD2 4.13Å; E42-L102 HydrophobicContact CG-CD2 4.37Å; L102-L121 CarbonylContact O-C 3.52Å; L102-L121 VanDerWaalsContact O-CA 3.29Å; L102-L121 WeakPolarHBondContact O-CA 3.33Å; L102-S122 PolarHBondContact N-O 3.23Å; L102-S122 PolarHBondContact O-N 2.91Å; L102-K124 HydrophobicContact CD1-CB 4.34Å; L102-K124 HydrophobicContact CD1-CG 4.11Å; L102-K124 HydrophobicContact CD2-CD 4.18Å; L102-K124 HydrophobicContact CD2-CG 4.33Å; L102-K124 HydrophobicContact CG-CB 3.97Å; L102-K124 HydrophobicContact CG-CD 4.4Å; L102-K124 HydrophobicContact CG-CG 4.03Å
103	I	98.9	Very high	97.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	108	176.3	-51.9	92.9	0	0	0	107.9	V40 C41 M43 L64 I68 V101 V119 D120 L121	V40-I103 WeakPolarHBondContact CA-O 3.46Å; C41-I103 HydrophobicContact CB-CB 4.28Å; C41-I103 HydrophobicContact CB-CD1 4.36Å; C41-I103 PolarHBondContact N-O 3.23Å; C41-I103 PolarHBondContact O-N 3.34Å; M43-I103 HydrophobicContact CB-CD1 4.11Å; L64-I103 HydrophobicContact CB-CG2 4.43Å; L64-I103 HydrophobicContact CD1-CG1 4.25Å; L64-I103 HydrophobicContact CD2-CG1 4.49Å; I68-I103 HydrophobicContact CB-CG2 4.07Å; I68-I103 HydrophobicContact CG1-CG2 3.96Å; I68-I103 HydrophobicContact CG2-CG2 4.14Å; V101-I103 HydrophobicContact CG1-CD1 4.32Å; V101-I103 HydrophobicContact CG1-CG1 4.33Å; I103-V119 HydrophobicContact CG2-CG1 3.56Å; I103-D120 CarbonylContact C-O 3.48Å; I103-D120 WeakPolarHBondContact CA-O 3.18Å; I103-L121 HydrophobicContact CG1-CD2 4.24Å; I103-L121 HydrophobicContact CG1-CG 4.03Å; I103-L121 HydrophobicContact CG2-CD1 4.37Å; I103-L121 HydrophobicContact CG2-CG 4.28Å
104	T	98.9	Very high	97.9	Very high	35 Å²	35	57 Å²	57	22%	0.215	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	107.7	-177.5	-61.3	0	0	0	0	110.2	V40 V119 D120	V40-T104 HydrophobicContact CG2-CG2 4.12Å; T104-V119 CarbonylContact O-C 3.5Å; T104-V119 VanDerWaalsContact O-CA 3.27Å; T104-V119 WeakPolarHBondContact O-CA 3.49Å; T104-D120 PolarHBondContact N-O 3.03Å; T104-D120 PolarHBondContact O-N 3.35Å
105	A	98.9	Very high	97.9	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.7	172.2	0	0	0	0	0	111.5	K38 V39 I68 A72 T118 V119	K38-A105 VanDerWaalsContact CA-O 3.29Å; K38-A105 WeakPolarHBondContact CA-O 3.45Å; K38-A105 WeakPolarHBondContact CG-O 3.29Å; V39-A105 PolarHBondContact N-O 2.84Å; V39-A105 PolarHBondContact O-N 3.07Å; I68-A105 HydrophobicContact CB-CB 4.39Å; I68-A105 HydrophobicContact CG2-CB 3.8Å; I68-A105 WeakPolarHBondContact O-CB 3.39Å; A72-A105 HydrophobicContact CB-CB 3.86Å; A105-T118 CarbonylContact C-O 3.56Å; A105-T118 WeakPolarHBondContact CA-O 3.02Å; A105-V119 HydrophobicContact CB-CG1 4.48Å; A105-V119 HydrophobicContact CB-CG2 3.88Å
106	Q	98.8	Very high	97.9	Very high	66 Å²	66	56.6 Å²	56.6	31%	0.308	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	124.2	177.9	176.5	66	62.3	0	0	110.1	G37 K38 L108 A117 T118	G37-Q106 CarbonylContact O-C 3.56Å; G37-Q106 WeakPolarHBondContact O-CA 3.43Å; G37-Q106 PolarHBondContact O-NE2 3Å; K38-Q106 VanDerWaalsContact CD-OE1 3.25Å; K38-Q106 VanDerWaalsContact CG-OE1 3.27Å; Q106-L108 PolarHBondContact O-N 2.94Å; Q106-A117 CarbonylContact O-C 3.55Å; Q106-A117 VanDerWaalsContact O-CA 3.23Å; Q106-A117 WeakPolarHBondContact O-CA 3.34Å; Q106-T118 HydrophobicContact CB-CG2 4.04Å; Q106-T118 PolarHBondContact N-O 2.84Å; Q106-T118 PolarHBondContact O-N 3.31Å
107	V	98.7	Very high	97.9	Very high	19 Å²	19	50.4 Å²	50.4	12%	0.115	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	124	168.4	178.5	0	0	0	0	108.2	G37 A72 I73 T76 Q110	G37-V107 WeakPolarHBondContact O-CG2 3.4Å; G37-V107 PolarHBondContact O-N 3.06Å; A72-V107 HydrophobicContact CB-CG2 4.2Å; I73-V107 HydrophobicContact CB-CG2 4.44Å; I73-V107 HydrophobicContact CG1-CG2 3.85Å; T76-V107 HydrophobicContact CG2-CG2 4.39Å; V107-Q110 HydrophobicContact CG1-CB 4.37Å
108	L	98.5	Very high	97.9	Very high	83 Å²	83	47.1 Å²	47.1	44%	0.435	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-38.7	177.2	-59.1	177.8	0	0	0	111.3	Q106 F116 T118	Q106-L108 PolarHBondContact O-N 2.94Å; L108-F116 HydrophobicContact CB-CB 4.41Å; L108-F116 PolarHBondContact N-O 3Å; L108-T118 HydrophobicContact CD2-CG2 3.82Å; L108-T118 HydrophobicContact CG-CG2 4.34Å
109	K	97.7	Very high	98	Very high	137 Å²	137	46.1 Å²	46.1	60%	0.596	23%	0.234	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-157.8	135.9	179.7	179.6	175.8	-178.4	177	0	109.8	A115 F116	K109-A115 WeakPolarHBondContact O-CA 3.17Å; K109-F116 HydrophobicContact CB-CD2 4.01Å; K109-F116 HydrophobicContact CD-CD2 4.44Å; K109-F116 HydrophobicContact CG-CD2 4.35Å; K109-F116 PolarHBondContact N-O 2.83Å; K109-F116 PolarHBondContact O-N 2.97Å
110	Q	95.8	Very high	98	Very high	66 Å²	66	45.6 Å²	45.6	31%	0.308	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	109.1	168.8	-164	175	33.7	0	0	108.9	T76 V107 L139	T76-Q110 VanDerWaalsContact CB-OE1 3.29Å; T76-Q110 PolarHBondContact OG1-NE2 2.77Å; T76-Q110 PolarHBondContact OG1-OE1 2.98Å; V107-Q110 HydrophobicContact CG1-CB 4.37Å; Q110-L139 HydrophobicContact CG-CD1 3.9Å
111	G	94.6	Very high	98	Very high	27 Å²	27	43 Å²	43	28%	0.278	22%	0.219	S	C	.	.			trans	-97	-167.7	179.1	0	0	0	0	0	113	R78 L114	R78-G111 PolarHBondContact NH1-O 2.82Å; G111-L114 WeakPolarHBondContact CA-O 3.37Å; G111-L114 PolarHBondContact N-O 2.84Å
112	K	93.9	Very high	98	Very high	178 Å²	178	44 Å²	44	77%	0.774	23%	0.226	S	C	*	.	S	Bend	trans	-68.1	-37.7	177.6	-68.8	-171.5	177.6	-175.4	0	113.4	R78	R78-K112 VanDerWaalsContact NH1-C 3.33Å; R78-K112 PolarHBondContact NH1-O 3.48Å; R78-K112 PolarHBondContact NH2-O 3.22Å; R78-K112 VanDerWaalsContact NH2-O 3.13Å
113	T	96.2	Very high	98	Very high	63 Å²	63	42.5 Å²	42.5	39%	0.387	22%	0.219	S	C	.	.	S	Bend	trans	-128.7	-11.6	-176.9	54.5	0	0	0	0	113.6	H138 L139	T113-H138 CarbonylContact O-C 3.54Å; T113-H138 WeakPolarHBondContact O-CA 3.42Å; T113-H138 PolarHBondContact O-ND1 2.8Å; T113-H138 VanDerWaalsContact O-ND1 3.13Å; T113-L139 PolarHBondContact O-N 2.78Å
114	L	97.8	Very high	98	Very high	56 Å²	56	47.4 Å²	47.4	29%	0.293	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	141.4	-178.4	-66.8	173.9	0	0	0	111.2	V85 G111 F116 T136 K137 H138	V85-L114 HydrophobicContact CG2-CD2 4.26Å; G111-L114 WeakPolarHBondContact CA-O 3.37Å; G111-L114 PolarHBondContact N-O 2.84Å; L114-F116 HydrophobicContact CB-CE2 3.84Å; L114-F116 HydrophobicContact CB-CZ 3.92Å; L114-F116 HydrophobicContact CD1-CZ 3.96Å; L114-T136 HydrophobicContact CD2-CG2 4.19Å; L114-K137 CarbonylContact C-O 3.53Å; L114-K137 VanDerWaalsContact CA-O 3.28Å; L114-K137 WeakPolarHBondContact CA-O 3.22Å; L114-H138 HydrophobicContact CD2-CB 4.29Å
115	A	98.4	Very high	97.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	147.3	163.4	0	0	0	0	0	110.1	I73 K109 T136 K137 L139	I73-A115 HydrophobicContact CD1-CB 3.86Å; I73-A115 HydrophobicContact CG1-CB 3.99Å; I73-A115 HydrophobicContact CG2-CB 3.75Å; K109-A115 WeakPolarHBondContact O-CA 3.17Å; A115-T136 WeakPolarHBondContact O-CA 3.38Å; A115-K137 PolarHBondContact N-O 2.83Å; A115-K137 PolarHBondContact O-N 3.13Å; A115-L139 HydrophobicContact CB-CD1 3.93Å; A115-L139 HydrophobicContact CB-CD2 3.81Å; A115-L139 HydrophobicContact CB-CG 4.08Å
116	F	98.8	Very high	97.9	Very high	56 Å²	56	54 Å²	54	25%	0.246	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	130.3	177.5	-54.7	-92.1	0	0	0	108.4	L108 K109 L114 T136	L108-F116 HydrophobicContact CB-CB 4.41Å; L108-F116 PolarHBondContact N-O 3Å; K109-F116 HydrophobicContact CB-CD2 4.01Å; K109-F116 HydrophobicContact CD-CD2 4.44Å; K109-F116 HydrophobicContact CG-CD2 4.35Å; K109-F116 PolarHBondContact N-O 2.83Å; K109-F116 PolarHBondContact O-N 2.97Å; L114-F116 HydrophobicContact CB-CE2 3.84Å; L114-F116 HydrophobicContact CB-CZ 3.92Å; L114-F116 HydrophobicContact CD1-CZ 3.96Å; F116-T136 HydrophobicContact CD1-CG2 3.84Å; F116-T136 HydrophobicContact CE1-CG2 3.59Å; F116-T136 HydrophobicContact CZ-CG2 4.31Å
117	A	98.9	Very high	97.8	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.008	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154	176.6	0	0	0	0	0	111.2	I73 Q106 R134 H135	I73-A117 HydrophobicContact CD1-CB 4.21Å; I73-A117 HydrophobicContact CG1-CB 4.32Å; Q106-A117 CarbonylContact O-C 3.55Å; Q106-A117 VanDerWaalsContact O-CA 3.23Å; Q106-A117 WeakPolarHBondContact O-CA 3.34Å; A117-R134 WeakPolarHBondContact O-CA 3.34Å; A117-H135 PolarHBondContact N-O 3.39Å; A117-H135 PolarHBondContact O-N 3.33Å
118	T	98.9	Very high	97.8	Very high	24 Å²	24	59 Å²	59	15%	0.147	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.8	166.9	-165.5	0	0	0	0	109.1	A105 Q106 L108 G133	A105-T118 CarbonylContact C-O 3.56Å; A105-T118 WeakPolarHBondContact CA-O 3.02Å; Q106-T118 HydrophobicContact CB-CG2 4.04Å; Q106-T118 PolarHBondContact N-O 2.84Å; Q106-T118 PolarHBondContact O-N 3.31Å; L108-T118 HydrophobicContact CD2-CG2 3.82Å; L108-T118 HydrophobicContact CG-CG2 4.34Å; T118-G133 CarbonylContact C-O 3.57Å; T118-G133 WeakPolarHBondContact CA-O 3.4Å; T118-G133 PolarHBondContact OG1-O 3.44Å
119	V	98.9	Very high	97.8	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	123.3	175.8	-171.6	0	0	0	0	109.4	V65 I103 T104 A105 L121 Q132 G133	V65-V119 HydrophobicContact CB-CB 4.41Å; V65-V119 HydrophobicContact CB-CG2 4.46Å; V65-V119 HydrophobicContact CG1-CB 4.15Å; V65-V119 HydrophobicContact CG1-CG2 3.97Å; V65-V119 HydrophobicContact CG2-CB 4.13Å; V65-V119 HydrophobicContact CG2-CG1 4.3Å; I103-V119 HydrophobicContact CG2-CG1 3.56Å; T104-V119 CarbonylContact O-C 3.5Å; T104-V119 VanDerWaalsContact O-CA 3.27Å; T104-V119 WeakPolarHBondContact O-CA 3.49Å; A105-V119 HydrophobicContact CB-CG1 4.48Å; A105-V119 HydrophobicContact CB-CG2 3.88Å; V119-L121 HydrophobicContact CG1-CD1 4.07Å; V119-Q132 CarbonylContact O-C 3.42Å; V119-Q132 WeakPolarHBondContact O-CA 3.39Å; V119-G133 PolarHBondContact N-O 3.13Å; V119-G133 PolarHBondContact O-N 3.4Å
120	D	98.9	Very high	97.9	Very high	48 Å²	48	51.6 Å²	51.6	26%	0.257	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.2	172.7	-69.5	-12.2	0	0	0	109.3	I103 T104 L129 Q132	I103-D120 CarbonylContact C-O 3.48Å; I103-D120 WeakPolarHBondContact CA-O 3.18Å; T104-D120 PolarHBondContact N-O 3.03Å; T104-D120 PolarHBondContact O-N 3.35Å; D120-L129 HydrophobicContact CB-CD2 3.86Å; D120-Q132 VanDerWaalsContact OD1-CG 3.27Å; D120-Q132 WeakPolarHBondContact OD1-CG 3.47Å; D120-Q132 PolarHBondContact OD1-NE2 3.43Å
121	L	98.9	Very high	98	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124	165.6	-72.1	82.2	0	0	0	107.8	L56 T61 L64 V65 V101 L102 I103 V119 I130 A131	L56-L121 HydrophobicContact CD2-CD2 4.22Å; T61-L121 HydrophobicContact CG2-CD1 4.21Å; T61-L121 HydrophobicContact CG2-CD2 3.83Å; L64-L121 HydrophobicContact CB-CD2 4.4Å; L64-L121 HydrophobicContact CD1-CD2 3.84Å; V65-L121 HydrophobicContact CG2-CD1 3.91Å; V101-L121 HydrophobicContact CG1-CB 4.16Å; V101-L121 HydrophobicContact CG1-CD2 4.31Å; V101-L121 HydrophobicContact CG1-CG 4.49Å; L102-L121 CarbonylContact O-C 3.52Å; L102-L121 VanDerWaalsContact O-CA 3.29Å; L102-L121 WeakPolarHBondContact O-CA 3.33Å; I103-L121 HydrophobicContact CG1-CD2 4.24Å; I103-L121 HydrophobicContact CG1-CG 4.03Å; I103-L121 HydrophobicContact CG2-CD1 4.37Å; I103-L121 HydrophobicContact CG2-CG 4.28Å; V119-L121 HydrophobicContact CG1-CD1 4.07Å; L121-I130 HydrophobicContact CB-CB 4.2Å; L121-I130 WeakPolarHBondContact O-CB 3.48Å; L121-I130 PolarHBondContact O-N 2.91Å; L121-A131 HydrophobicContact CB-CB 4.45Å; L121-A131 PolarHBondContact N-O 2.75Å; L121-A131 PolarHBondContact O-N 2.93Å
122	S	98.9	Very high	98.2	Very high	21 Å²	21	51.1 Å²	51.1	15%	0.147	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	150.3	-179.5	63	0	0	0	0	112.4	V101 L102 K124 K128	V101-S122 CarbonylContact C-O 3.46Å; V101-S122 WeakPolarHBondContact CA-O 3.27Å; L102-S122 PolarHBondContact N-O 3.23Å; L102-S122 PolarHBondContact O-N 2.91Å; S122-K124 PolarHBondContact O-N 2.65Å; S122-K128 CarbonylContact C-O 3.45Å; S122-K128 VanDerWaalsContact CA-O 3.26Å; S122-K128 WeakPolarHBondContact CA-O 3.13Å; S122-K128 WeakPolarHBondContact CB-O 3.41Å
123	S	98.6	Very high	98.5	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.084	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	122.2	171.3	168.3	0	0	0	0	109	A125 S126 G127 K128	S123-A125 PolarHBondContact O-N 3.07Å; S123-S126 WeakPolarHBondContact CB-OG 3.33Å; S123-S126 PolarHBondContact O-N 3.43Å; S123-S126 PolarHBondContact OG-N 3.42Å; S123-S126 PolarHBondContact OG-OG 2.85Å; S123-G127 VanDerWaalsContact O-CA 3.31Å; S123-G127 WeakPolarHBondContact O-CA 3.37Å; S123-G127 PolarHBondContact O-N 3.05Å; S123-K128 PolarHBondContact N-O 2.85Å
124	K	98.3	Very high	98.6	Very high	103 Å²	103	45 Å²	45	45%	0.448	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-36.1	178.8	-174.1	171.8	173	179.1	0	112.2	E42 D100 L102 S122	E42-K124 HydrophobicContact CG-CD 4.46Å; E42-K124 VanDerWaalsContact OE1-CD 3.23Å; E42-K124 WeakPolarHBondContact OE1-CD 3.36Å; E42-K124 IonicContact OE1-NZ 2.63Å; E42-K124 PolarHBondContact OE1-NZ 2.97Å; E42-K124 IonicContact OE2-NZ 2.67Å; E42-K124 PolarHBondContact OE2-NZ 3.47Å; D100-K124 HydrophobicContact CB-CB 3.88Å; D100-K124 HydrophobicContact CB-CD 3.99Å; D100-K124 VanDerWaalsContact O-CB 3.29Å; D100-K124 WeakPolarHBondContact O-CB 3.41Å; D100-K124 PolarHBondContact O-N 2.82Å; L102-K124 HydrophobicContact CD1-CB 4.34Å; L102-K124 HydrophobicContact CD1-CG 4.11Å; L102-K124 HydrophobicContact CD2-CD 4.18Å; L102-K124 HydrophobicContact CD2-CG 4.33Å; L102-K124 HydrophobicContact CG-CB 3.97Å; L102-K124 HydrophobicContact CG-CD 4.4Å; L102-K124 HydrophobicContact CG-CG 4.03Å; S122-K124 PolarHBondContact O-N 2.65Å
125	A	98.1	Very high	98.6	Very high	104 Å²	104	42.5 Å²	42.5	86%	0.86	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-38	-177.5	0	0	0	0	0	113.4	S123	S123-A125 PolarHBondContact O-N 3.07Å
126	S	97.6	Very high	98.7	Very high	71 Å²	71	43.5 Å²	43.5	50%	0.497	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-13	-170.7	67.5	0	0	0	0	115	S123 K128	S123-S126 WeakPolarHBondContact CB-OG 3.33Å; S123-S126 PolarHBondContact O-N 3.43Å; S123-S126 PolarHBondContact OG-N 3.42Å; S123-S126 PolarHBondContact OG-OG 2.85Å; S126-K128 PolarHBondContact O-N 2.79Å; S126-K128 PolarHBondContact OG-N 2.87Å
127	G	97.9	Very high	98.7	Very high	53 Å²	53	41.4 Å²	41.4	55%	0.546	24%	0.235	S	C	.	.			trans	70.4	-0.6	-173.2	0	0	0	0	0	114.7	S123 L129	S123-G127 VanDerWaalsContact O-CA 3.31Å; S123-G127 WeakPolarHBondContact O-CA 3.37Å; S123-G127 PolarHBondContact O-N 3.05Å; G127-L129 PolarHBondContact O-N 3.37Å
128	K	98.4	Very high	98.6	Very high	135 Å²	135	44.7 Å²	44.7	59%	0.587	25%	0.25	S	S	*	.			trans	-64.7	133.2	179.5	-69.7	-177.6	178.5	-178.5	0	110.9	S122 S123 S126 I130	S122-K128 CarbonylContact C-O 3.45Å; S122-K128 VanDerWaalsContact CA-O 3.26Å; S122-K128 WeakPolarHBondContact CA-O 3.13Å; S122-K128 WeakPolarHBondContact CB-O 3.41Å; S123-K128 PolarHBondContact N-O 2.85Å; S126-K128 PolarHBondContact O-N 2.79Å; S126-K128 PolarHBondContact OG-N 2.87Å; K128-I130 PolarHBondContact O-N 3.17Å
129	L	98.7	Very high	98.5	Very high	59 Å²	59	44.2 Å²	44.2	31%	0.309	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	120.4	176.1	-78.5	171.8	0	0	0	111	M92 N93 D120 G127	M92-L129 HydrophobicContact CE-CB 3.67Å; M92-L129 HydrophobicContact CE-CD1 4.11Å; M92-L129 HydrophobicContact CE-CG 4.37Å; M92-L129 HydrophobicContact SD-CB 4.06Å; M92-L129 HydrophobicContact SD-CD1 4.28Å; N93-L129 WeakPolarHBondContact CB-O 3.24Å; N93-L129 PolarHBondContact ND2-O 2.76Å; D120-L129 HydrophobicContact CB-CD2 3.86Å; G127-L129 PolarHBondContact O-N 3.37Å
130	I	98.9	Very high	97.9	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.036	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	-51.5	173.4	-67	156.6	0	0	0	108.8	L56 M92 N93 A95 V101 L121 K128	L56-I130 HydrophobicContact CD2-CG2 4.37Å; M92-I130 PolarHBondContact N-O 3.17Å; N93-I130 PolarHBondContact N-O 3.19Å; N93-I130 VanDerWaalsContact N-O 3.07Å; N93-I130 WeakPolarHBondContact O-CG2 3.35Å; A95-I130 HydrophobicContact CB-CD1 3.7Å; A95-I130 HydrophobicContact CB-CG1 4.13Å; A95-I130 HydrophobicContact CB-CG2 4.3Å; V101-I130 HydrophobicContact CB-CD1 4.24Å; V101-I130 HydrophobicContact CG1-CD1 3.73Å; V101-I130 HydrophobicContact CG2-CD1 3.64Å; L121-I130 HydrophobicContact CB-CB 4.2Å; L121-I130 WeakPolarHBondContact O-CB 3.48Å; L121-I130 PolarHBondContact O-N 2.91Å; K128-I130 PolarHBondContact O-N 3.17Å
131	A	98.9	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	157	177.5	0	0	0	0	0	110.6	T61 I89 T90 Y91 L121	T61-A131 HydrophobicContact CG2-CB 3.7Å; I89-A131 HydrophobicContact CG2-CB 4.18Å; T90-A131 CarbonylContact O-C 3.59Å; T90-A131 WeakPolarHBondContact O-CA 3.23Å; T90-A131 WeakPolarHBondContact O-CB 3.34Å; Y91-A131 HydrophobicContact CD1-CB 4.16Å; L121-A131 HydrophobicContact CB-CB 4.45Å; L121-A131 PolarHBondContact N-O 2.75Å; L121-A131 PolarHBondContact O-N 2.93Å
132	Q	98.9	Very high	94.8	Very high	82 Å²	82	56.1 Å²	56.1	38%	0.383	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	131.4	169	175.7	170.9	74.6	0	0	108.5	I89 T90 M92 V119 D120	I89-Q132 WeakPolarHBondContact CA-O 3.5Å; T90-Q132 PolarHBondContact N-O 3.1Å; T90-Q132 PolarHBondContact O-N 2.86Å; M92-Q132 HydrophobicContact CE-CB 3.73Å; V119-Q132 CarbonylContact O-C 3.42Å; V119-Q132 WeakPolarHBondContact O-CA 3.39Å; D120-Q132 VanDerWaalsContact OD1-CG 3.27Å; D120-Q132 WeakPolarHBondContact OD1-CG 3.47Å; D120-Q132 PolarHBondContact OD1-NE2 3.43Å
133	G	98.9	Very high	94.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	153.5	177.6	0	0	0	0	0	112.6	N88 T118 V119	N88-G133 CarbonylContact O-C 3.51Å; N88-G133 WeakPolarHBondContact O-CA 3.44Å; T118-G133 CarbonylContact C-O 3.57Å; T118-G133 WeakPolarHBondContact CA-O 3.4Å; T118-G133 PolarHBondContact OG1-O 3.44Å; V119-G133 PolarHBondContact N-O 3.13Å; V119-G133 PolarHBondContact O-N 3.4Å
134	R	98.9	Very high	94.4	Very high	114 Å²	114	60.3 Å²	60.3	43%	0.43	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140.7	166.7	-65.4	174.8	63.4	91.3	1.7	109.2	M87 N88 A117	M87-R134 WeakPolarHBondContact CA-O 3.32Å; N88-R134 PolarHBondContact N-O 2.93Å; N88-R134 PolarHBondContact O-N 3.31Å; A117-R134 WeakPolarHBondContact O-CA 3.34Å
135	H	98.9	Very high	94.2	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.009	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	125.8	-177.8	-168.9	-171	0	0	0	110.2	D66 S69 S84 D86 M87 A117 K137	D66-H135 IonicContact OD1-CE1 2.92Å; D66-H135 PolarHBondContact OD1-CE1 2.84Å; D66-H135 IonicContact OD1-ND1 3.83Å; D66-H135 IonicContact OD1-NE2 3.54Å; S69-H135 PolarHBondContact OG-ND1 2.83Å; S84-H135 WeakPolarHBondContact CB-NE2 3.28Å; S84-H135 PolarHBondContact OG-CE1 3.21Å; S84-H135 VanDerWaalsContact OG-CE1 3.31Å; S84-H135 PolarHBondContact OG-NE2 3.22Å; D86-H135 PolarHBondContact O-CD2 3.47Å; M87-H135 HydrophobicContact CG-CB 4.43Å; A117-H135 PolarHBondContact N-O 3.39Å; A117-H135 PolarHBondContact O-N 3.33Å; H135-K137 VanDerWaalsContact CE1-CD 3.47Å; H135-K137 WeakPolarHBondContact CE1-CD 3.37Å
136	T	98.9	Very high	94	Very high	22 Å²	22	55.2 Å²	55.2	14%	0.135	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.8	174	-55.5	0	0	0	0	109.1	V85 D86 L114 A115 F116	V85-T136 HydrophobicContact CB-CG2 4.27Å; V85-T136 PolarHBondContact N-O 3.04Å; D86-T136 PolarHBondContact N-O 3.05Å; D86-T136 PolarHBondContact O-N 3.41Å; L114-T136 HydrophobicContact CD2-CG2 4.19Å; A115-T136 WeakPolarHBondContact O-CA 3.38Å; F116-T136 HydrophobicContact CD1-CG2 3.84Å; F116-T136 HydrophobicContact CE1-CG2 3.59Å; F116-T136 HydrophobicContact CZ-CG2 4.31Å
137	K	98.7	Very high	93.7	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.048	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	141	179	-53	-160.2	82.2	-173.8	0	112.1	T70 I73 P81 G82 V83 S84 L114 A115 H135	T70-K137 PolarHBondContact OG1-NZ 2.86Å; I73-K137 HydrophobicContact CD1-CB 4.31Å; I73-K137 HydrophobicContact CD1-CD 3.83Å; I73-K137 HydrophobicContact CD1-CG 3.88Å; P81-K137 WeakPolarHBondContact O-CD 3.36Å; P81-K137 WeakPolarHBondContact O-CE 3.49Å; P81-K137 PolarHBondContact O-NZ 2.9Å; G82-K137 WeakPolarHBondContact O-CE 3.19Å; G82-K137 PolarHBondContact O-NZ 2.9Å; V83-K137 CarbonylContact O-C 3.58Å; V83-K137 WeakPolarHBondContact O-CA 3.49Å; S84-K137 WeakPolarHBondContact OG-CE 3.21Å; L114-K137 CarbonylContact C-O 3.53Å; L114-K137 VanDerWaalsContact CA-O 3.28Å; L114-K137 WeakPolarHBondContact CA-O 3.22Å; A115-K137 PolarHBondContact N-O 2.83Å; A115-K137 PolarHBondContact O-N 3.13Å; H135-K137 VanDerWaalsContact CE1-CD 3.47Å; H135-K137 WeakPolarHBondContact CE1-CD 3.37Å
138	H	98.1	Very high	93.5	Very high	71 Å²	71	54.3 Å²	54.3	33%	0.329	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	124.9	170.5	-174.1	74.6	0	0	0	110.4	G82 V83 V85 T113 L114 G140	G82-H138 CarbonylContact C-O 3.54Å; G82-H138 WeakPolarHBondContact CA-O 3.37Å; V83-H138 PolarHBondContact N-O 3.3Å; V83-H138 PolarHBondContact O-N 2.9Å; V85-H138 HydrophobicContact CG2-CB 3.64Å; T113-H138 CarbonylContact O-C 3.54Å; T113-H138 WeakPolarHBondContact O-CA 3.42Å; T113-H138 PolarHBondContact O-ND1 2.8Å; T113-H138 VanDerWaalsContact O-ND1 3.13Å; L114-H138 HydrophobicContact CD2-CB 4.29Å; H138-G140 PolarHBondContact CD2-N 3.06Å; H138-G140 VanDerWaalsContact CD2-N 3.31Å; H138-G140 WeakPolarHBondContact NE2-CA 3.43Å; H138-G140 PolarHBondContact NE2-N 2.89Å
139	L	96.1	Very high	93.1	Very high	14 Å²	14	48.6 Å²	48.6	7%	0.073	28%	0.281	C	S	.	.			trans	-94	6.4	-172.5	-57.9	174.3	0	0	0	113.6	I73 R78 A80 Q110 T113 A115	I73-L139 HydrophobicContact CG2-CD2 3.86Å; R78-L139 VanDerWaalsContact NH1-CD1 3.31Å; R78-L139 VanDerWaalsContact NH2-CB 3.33Å; R78-L139 PolarHBondContact NH2-O 3.34Å; A80-L139 HydrophobicContact CB-CD2 4.46Å; Q110-L139 HydrophobicContact CG-CD1 3.9Å; T113-L139 PolarHBondContact O-N 2.78Å; A115-L139 HydrophobicContact CB-CD1 3.93Å; A115-L139 HydrophobicContact CB-CD2 3.81Å; A115-L139 HydrophobicContact CB-CG 4.08Å
140	G	87.4	Confident	92.7	Very high	29 Å²	29	47.8 Å²	47.8	30%	0.299	28%	0.279	S	S	.	.			trans	81.9	157.7	-171	0	0	0	0	0	112.6	R78 H138	R78-G140 PolarHBondContact NH2-O 2.69Å; H138-G140 PolarHBondContact CD2-N 3.06Å; H138-G140 VanDerWaalsContact CD2-N 3.31Å; H138-G140 WeakPolarHBondContact NE2-CA 3.43Å; H138-G140 PolarHBondContact NE2-N 2.89Å
141	S	73.6	Confident	92.2	Very high	107 Å²	107	51.2 Å²	51.2	75%	0.748	30%	0.299	S	S	*	.			trans	-72.9	124.8	170.1	-46.8	0	0	0	0	108.8
142	S	58.6	Low	91.5	Very high	162 Å²	162	55.8 Å²	55.8	100%	1.133	33%	0.326	S	S	*	.			trans	-63.4	0	160.8	-49.2	0	0	0	0	110.3

Retrieved 142 of 142 residues in 358.9 ms (Link to these results)

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