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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 A0A060YS27, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene acot13, Length 141 aa.

						>A0A060YS27_ONCMY|A0A060YS27|acot13
MVSLSLNSLKTIMRAMVDSPGFDRVLSKVDIVTASPGKVVCEFKVEEEHTNRGGTLHGGLTATLVDVISTTAIMYTERGAPGVSVDMNITYMNAAKMGEDVLITATVLKQGRTLAFATVDLTSKASGKLIAQGRHTKHLGS
					

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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	45.4	Very low	75.8	Confident	202 Å²	202	88.4 Å²	88.4	100%	0.995	50%	0.502	S	S	*	.				0	125.9	0	-89	-177.5	-87.2	0	0	107.7	S3	M1-S3 PolarHBondContact O-N 3.24Å
2	V	49.4	Very low	76.8	Confident	148 Å²	148	85.8 Å²	85.8	90%	0.897	49%	0.485	S	S	*	.			trans	-77.9	111.1	178.8	-179.7	0	0	0	0	107.1	L4	V2-L4 PolarHBondContact O-N 2.77Å
3	S	62	Low	77.8	Confident	96 Å²	96	79.8 Å²	79.8	67%	0.671	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-63.1	131.6	168.2	49.6	0	0	0	0	108.2	M1 S5	M1-S3 PolarHBondContact O-N 3.24Å; S3-S5 PolarHBondContact O-N 2.8Å
4	L	70.5	Confident	78.6	Confident	63 Å²	63	83.6 Å²	83.6	33%	0.33	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-55	134.1	172	-84.5	154.8	0	0	0	108.1	V2 I12 Y75	V2-L4 PolarHBondContact O-N 2.77Å; L4-I12 HydrophobicContact CD2-CD1 3.88Å; L4-Y75 HydrophobicContact CB-CD2 3.68Å; L4-Y75 HydrophobicContact CB-CE2 3.36Å; L4-Y75 HydrophobicContact CD1-CD2 4.28Å; L4-Y75 WeakPolarHBondContact O-CE2 3.31Å; L4-Y75 PolarHBondContact O-OH 3.1Å
5	S	83.4	Confident	79.3	Confident	55 Å²	55	82.5 Å²	82.5	39%	0.385	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-78.3	159.4	172.9	76.8	0	0	0	0	110.3	S3 N7 S8 L9	S3-S5 PolarHBondContact O-N 2.8Å; S5-N7 PolarHBondContact O-N 3.41Å; S5-N7 PolarHBondContact OG-N 3.19Å; S5-S8 WeakPolarHBondContact O-CB 3.48Å; S5-S8 PolarHBondContact O-N 3.11Å; S5-S8 VanDerWaalsContact O-N 3.11Å; S5-S8 PolarHBondContact OG-N 2.89Å; S5-S8 PolarHBondContact OG-OG 2.77Å; S5-L9 PolarHBondContact O-N 2.91Å
6	L	82.6	Confident	79.7	Confident	57 Å²	57	80.7 Å²	80.7	30%	0.298	45%	0.448	S	S	.	.	H	α-helix	trans	-54.1	-40.1	171.7	175.5	63.3	0	0	0	111.5	L9 K10 I31 A34	L6-L9 PolarHBondContact O-N 2.98Å; L6-K10 WeakPolarHBondContact O-CG 3.3Å; L6-K10 PolarHBondContact O-N 3.44Å; L6-I31 HydrophobicContact CD1-CG2 3.74Å; L6-A34 HydrophobicContact CD1-CB 3.69Å
7	N	87.3	Confident	80.3	Confident	116 Å²	116	76.4 Å²	76.4	62%	0.62	42%	0.424	S	S	*	.	H	α-helix	trans	-64.7	-41.9	178.3	-70.7	-14.7	0	0	0	111.5	S5 L9 K10 T11	S5-N7 PolarHBondContact O-N 3.41Å; S5-N7 PolarHBondContact OG-N 3.19Å; N7-L9 VanDerWaalsContact C-N 3.31Å; N7-L9 PolarHBondContact O-N 2.86Å; N7-K10 PolarHBondContact O-N 2.82Å; N7-T11 PolarHBondContact O-N 3.42Å; N7-T11 PolarHBondContact O-OG1 3.02Å; N7-T11 VanDerWaalsContact O-OG1 3.06Å
8	S	86.6	Confident	80.8	Confident	48 Å²	48	78 Å²	78	34%	0.336	43%	0.432	S	S	.	.	H	α-helix	trans	-60.8	-42	175	-52.1	0	0	0	0	111.5	S5 T11 I12	S5-S8 WeakPolarHBondContact O-CB 3.48Å; S5-S8 PolarHBondContact O-N 3.11Å; S5-S8 VanDerWaalsContact O-N 3.11Å; S5-S8 PolarHBondContact OG-N 2.89Å; S5-S8 PolarHBondContact OG-OG 2.77Å; S8-T11 PolarHBondContact O-N 3.1Å; S8-I12 VanDerWaalsContact O-CG1 3.31Å; S8-I12 WeakPolarHBondContact O-CG1 3.45Å; S8-I12 PolarHBondContact O-N 3.11Å
9	L	87.3	Confident	81.2	Confident	3 Å²	3	76.5 Å²	76.5	2%	0.016	43%	0.428	C	S	.	.	H	α-helix	trans	-64.9	-42.1	177.5	-166	67.3	0	0	0	111.8	S5 L6 N7 T11 I12 M13 I31 A34 V39 T71 Y75	S5-L9 PolarHBondContact O-N 2.91Å; L6-L9 PolarHBondContact O-N 2.98Å; N7-L9 VanDerWaalsContact C-N 3.31Å; N7-L9 PolarHBondContact O-N 2.86Å; L9-T11 PolarHBondContact O-N 3.31Å; L9-I12 PolarHBondContact O-N 2.91Å; L9-M13 WeakPolarHBondContact O-CB 3.17Å; L9-M13 PolarHBondContact O-N 3.41Å; L9-I31 HydrophobicContact CB-CD1 4.42Å; L9-I31 HydrophobicContact CD2-CD1 4.06Å; L9-I31 HydrophobicContact CG-CD1 3.88Å; L9-A34 HydrophobicContact CD2-CB 3.58Å; L9-V39 HydrophobicContact CD2-CG2 3.93Å; L9-T71 HydrophobicContact CD1-CG2 3.64Å; L9-T71 HydrophobicContact CD2-CG2 3.96Å; L9-T71 HydrophobicContact CG-CG2 3.84Å; L9-Y75 HydrophobicContact CB-CE2 4.45Å; L9-Y75 HydrophobicContact CD1-CD2 3.95Å; L9-Y75 HydrophobicContact CD1-CG 4.35Å; L9-Y75 HydrophobicContact CD2-CD1 4.27Å; L9-Y75 HydrophobicContact CD2-CD2 4.01Å; L9-Y75 HydrophobicContact CD2-CE2 4.34Å; L9-Y75 HydrophobicContact CD2-CG 3.99Å; L9-Y75 HydrophobicContact CG-CD2 4.4Å
10	K	89.6	Confident	81.7	Confident	88 Å²	88	78.8 Å²	78.8	38%	0.383	45%	0.446	S	S	.	.	H	α-helix	trans	-58.7	-45.3	173	-75	-176.7	178.1	-160.5	0	111.6	L6 N7 M13 R14 I31	L6-K10 WeakPolarHBondContact O-CG 3.3Å; L6-K10 PolarHBondContact O-N 3.44Å; N7-K10 PolarHBondContact O-N 2.82Å; K10-M13 PolarHBondContact O-N 3.46Å; K10-R14 VanDerWaalsContact O-CB 3.29Å; K10-R14 WeakPolarHBondContact O-CB 3.46Å; K10-R14 PolarHBondContact O-N 3.23Å; K10-I31 WeakPolarHBondContact CE-O 3.39Å; K10-I31 HydrophobicContact CG-CB 4.03Å; K10-I31 HydrophobicContact CG-CD1 4.17Å; K10-I31 HydrophobicContact CG-CG1 4.42Å; K10-I31 PolarHBondContact NZ-O 3.39Å; K10-I31 VanDerWaalsContact NZ-O 3.07Å
11	T	90.1	Very high	82.4	Confident	96 Å²	96	76.5 Å²	76.5	59%	0.589	44%	0.44	S	S	*	.	H	α-helix	trans	-62.6	-42.6	177.4	-56.7	0	0	0	0	112.1	N7 S8 L9 R14 A15	N7-T11 PolarHBondContact O-N 3.42Å; N7-T11 PolarHBondContact O-OG1 3.02Å; N7-T11 VanDerWaalsContact O-OG1 3.06Å; S8-T11 PolarHBondContact O-N 3.1Å; L9-T11 PolarHBondContact O-N 3.31Å; T11-R14 PolarHBondContact O-N 3.1Å; T11-A15 WeakPolarHBondContact O-CB 3.31Å; T11-A15 PolarHBondContact O-N 2.88Å
12	I	88	Confident	84.9	Confident	58 Å²	58	73.2 Å²	73.2	30%	0.297	42%	0.42	S	S	.	.	H	α-helix	trans	-63	-49.5	177.4	-69	164.2	0	0	0	110.5	L4 S8 L9 R14 A15 M16 M74	L4-I12 HydrophobicContact CD2-CD1 3.88Å; S8-I12 VanDerWaalsContact O-CG1 3.31Å; S8-I12 WeakPolarHBondContact O-CG1 3.45Å; S8-I12 PolarHBondContact O-N 3.11Å; L9-I12 PolarHBondContact O-N 2.91Å; I12-R14 VanDerWaalsContact C-N 3.3Å; I12-R14 PolarHBondContact O-N 2.77Å; I12-A15 PolarHBondContact O-N 3.24Å; I12-M16 HydrophobicContact CG2-SD 4.3Å; I12-M16 WeakPolarHBondContact O-CG 3.49Å; I12-M16 PolarHBondContact O-N 2.97Å; I12-M74 HydrophobicContact CG2-CE 4.48Å
13	M	88.8	Confident	87.2	Confident	8 Å²	8	68.3 Å²	68.3	4%	0.039	39%	0.389	C	S	.	.	H	α-helix	trans	-60.9	-42	178.3	-175.6	172.4	176	0	0	111.2	L9 K10 A15 M16 V17 V29 I31	L9-M13 WeakPolarHBondContact O-CB 3.17Å; L9-M13 PolarHBondContact O-N 3.41Å; K10-M13 PolarHBondContact O-N 3.46Å; M13-A15 PolarHBondContact O-N 3.35Å; M13-M16 WeakPolarHBondContact O-CB 3.48Å; M13-M16 PolarHBondContact O-N 3.07Å; M13-V17 WeakPolarHBondContact O-CG2 3.36Å; M13-V17 PolarHBondContact O-N 3.05Å; M13-V29 HydrophobicContact CE-CB 3.86Å; M13-V29 HydrophobicContact CE-CG1 3.59Å; M13-I31 HydrophobicContact CB-CD1 4.09Å; M13-I31 HydrophobicContact SD-CD1 3.67Å; M13-I31 HydrophobicContact SD-CG1 3.43Å; M13-I31 WeakPolarHBondContact SD-CG1 3.34Å
14	R	89.8	Confident	88.8	Confident	133 Å²	133	70.1 Å²	70.1	50%	0.502	38%	0.381	S	S	.	.	H	α-helix	trans	-57.4	-49	175	-160.2	83	-169.7	-168.2	4.3	111.6	K10 T11 I12 M16 V17 D18	K10-R14 VanDerWaalsContact O-CB 3.29Å; K10-R14 WeakPolarHBondContact O-CB 3.46Å; K10-R14 PolarHBondContact O-N 3.23Å; T11-R14 PolarHBondContact O-N 3.1Å; I12-R14 VanDerWaalsContact C-N 3.3Å; I12-R14 PolarHBondContact O-N 2.77Å; R14-M16 VanDerWaalsContact C-N 3.28Å; R14-M16 PolarHBondContact O-N 2.95Å; R14-V17 WeakPolarHBondContact O-CG2 3.35Å; R14-V17 PolarHBondContact O-N 3.47Å; R14-D18 WeakPolarHBondContact CG-OD2 3.47Å; R14-D18 IonicContact NE-OD2 3.9Å; R14-D18 WeakPolarHBondContact O-CB 3.49Å; R14-D18 VanDerWaalsContact O-CG 3.27Å; R14-D18 PolarHBondContact O-N 3.18Å
15	A	88.8	Confident	90.1	Very high	67 Å²	67	69.1 Å²	69.1	55%	0.554	38%	0.378	S	S	*	.	H	α-helix	trans	-62.8	-34.1	178.6	0	0	0	0	0	112.8	T11 I12 M13	T11-A15 WeakPolarHBondContact O-CB 3.31Å; T11-A15 PolarHBondContact O-N 2.88Å; I12-A15 PolarHBondContact O-N 3.24Å; M13-A15 PolarHBondContact O-N 3.35Å
16	M	86.5	Confident	90.8	Very high	53 Å²	53	66.6 Å²	66.6	26%	0.261	36%	0.36	S	S	.	.	H	α-helix	trans	-66.9	-45.4	174.3	-71.7	178.2	61.3	0	0	112	I12 M13 R14 S19 V67	I12-M16 HydrophobicContact CG2-SD 4.3Å; I12-M16 WeakPolarHBondContact O-CG 3.49Å; I12-M16 PolarHBondContact O-N 2.97Å; M13-M16 WeakPolarHBondContact O-CB 3.48Å; M13-M16 PolarHBondContact O-N 3.07Å; R14-M16 VanDerWaalsContact C-N 3.28Å; R14-M16 PolarHBondContact O-N 2.95Å; M16-S19 WeakPolarHBondContact O-CB 3.35Å; M16-S19 PolarHBondContact O-N 3.2Å; M16-V67 HydrophobicContact CE-CG1 4.37Å
17	V	89.1	Confident	91.5	Very high	7 Å²	7	65.7 Å²	65.7	4%	0.042	36%	0.359	C	S	.	.	H	α-helix	trans	-78.8	-23.4	-177.7	-55.5	0	0	0	0	113.5	M13 R14 S19 R24 L26	M13-V17 WeakPolarHBondContact O-CG2 3.36Å; M13-V17 PolarHBondContact O-N 3.05Å; R14-V17 WeakPolarHBondContact O-CG2 3.35Å; R14-V17 PolarHBondContact O-N 3.47Å; V17-S19 PolarHBondContact O-N 2.92Å; V17-R24 WeakPolarHBondContact O-CA 3.22Å; V17-R24 WeakPolarHBondContact O-CB 3.49Å; V17-L26 HydrophobicContact CG1-CB 3.85Å
18	D	89.9	Confident	92	Very high	106 Å²	106	63.9 Å²	63.9	57%	0.567	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-5.5	174.6	-68.2	-16.3	0	0	0	112.3	R14	R14-D18 WeakPolarHBondContact CG-OD2 3.47Å; R14-D18 IonicContact NE-OD2 3.9Å; R14-D18 WeakPolarHBondContact O-CB 3.49Å; R14-D18 VanDerWaalsContact O-CG 3.27Å; R14-D18 PolarHBondContact O-N 3.18Å
19	S	87.8	Confident	92.5	Very high	50 Å²	50	62.1 Å²	62.1	35%	0.35	33%	0.332	S	S	.	.	S	Bend	trans	-67.2	148.7	175	177.2	0	0	0	0	112	M16 V17 G21	M16-S19 WeakPolarHBondContact O-CB 3.35Å; M16-S19 PolarHBondContact O-N 3.2Å; V17-S19 PolarHBondContact O-N 2.92Å; S19-G21 PolarHBondContact O-N 3.2Å; S19-G21 PolarHBondContact OG-N 2.9Å
20	P	91.9	Very high	92.9	Very high	122 Å²	122	66.3 Å²	66.3	79%	0.792	36%	0.355	S	S	*	.	S	Bend	trans	-65.5	-8	171.6	29	-36.7	0	0	0	113.5	R24	P20-R24 PolarHBondContact O-NH1 3.08Å
21	G	96	Very high	93.3	Very high	31 Å²	31	62.5 Å²	62.5	32%	0.32	34%	0.339	S	S	.	.	S	Bend	trans	-64.9	-178.1	175.9	0	0	0	0	0	114.1	S19 D23 R24	S19-G21 PolarHBondContact O-N 3.2Å; S19-G21 PolarHBondContact OG-N 2.9Å; G21-D23 VanDerWaalsContact C-N 3.27Å; G21-D23 PolarHBondContact O-N 2.88Å; G21-R24 WeakPolarHBondContact O-CD 3.37Å; G21-R24 VanDerWaalsContact O-CG 3.3Å; G21-R24 WeakPolarHBondContact O-CG 3.28Å; G21-R24 PolarHBondContact O-N 3.13Å; G21-R24 PolarHBondContact O-NH1 3.36Å
22	F	97.7	Very high	93.5	Very high	132 Å²	132	60.9 Å²	60.9	58%	0.579	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-65	-30.7	-176.3	-174.2	-107.2	0	0	0	112.9	R24 V25 T63	F22-R24 PolarHBondContact O-N 3.14Å; F22-V25 HydrophobicContact CD1-CG2 4.47Å; F22-V25 HydrophobicContact CE1-CG2 4.15Å; F22-V25 HydrophobicContact CE2-CG1 4.26Å; F22-V25 HydrophobicContact CZ-CG2 4.31Å; F22-V25 WeakPolarHBondContact O-CG1 3.45Å; F22-V25 WeakPolarHBondContact O-CG2 3.46Å; F22-V25 PolarHBondContact O-N 3.06Å; F22-V25 VanDerWaalsContact O-N 3.13Å; F22-T63 HydrophobicContact CD1-CG2 4.22Å; F22-T63 HydrophobicContact CE1-CG2 3.76Å; F22-T63 WeakPolarHBondContact CE1-OG1 3.29Å
23	D	96.8	Very high	93.9	Very high	46 Å²	46	61.8 Å²	61.8	25%	0.246	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-57.4	-16.4	-177.9	-65.2	-20	0	0	0	114.2	G21 V25 L26	G21-D23 VanDerWaalsContact C-N 3.27Å; G21-D23 PolarHBondContact O-N 2.88Å; D23-V25 PolarHBondContact O-N 3.25Å; D23-V25 VanDerWaalsContact O-N 3.08Å; D23-L26 WeakPolarHBondContact O-CB 3.33Å; D23-L26 PolarHBondContact O-N 3.06Å
24	R	97.1	Very high	94.3	Very high	134 Å²	134	62.5 Å²	62.5	51%	0.506	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-55.5	-23.1	172.5	75.2	-174.7	-178.4	-90.3	1	115.1	V17 P20 G21 F22 L26 S27	V17-R24 WeakPolarHBondContact O-CA 3.22Å; V17-R24 WeakPolarHBondContact O-CB 3.49Å; P20-R24 PolarHBondContact O-NH1 3.08Å; G21-R24 WeakPolarHBondContact O-CD 3.37Å; G21-R24 VanDerWaalsContact O-CG 3.3Å; G21-R24 WeakPolarHBondContact O-CG 3.28Å; G21-R24 PolarHBondContact O-N 3.13Å; G21-R24 PolarHBondContact O-NH1 3.36Å; F22-R24 PolarHBondContact O-N 3.14Å; R24-L26 PolarHBondContact O-N 2.66Å; R24-L26 VanDerWaalsContact O-N 3.1Å; R24-S27 WeakPolarHBondContact O-CB 3.45Å; R24-S27 PolarHBondContact O-N 2.88Å; R24-S27 VanDerWaalsContact O-N 3.1Å; R24-S27 PolarHBondContact O-OG 3.5Å
25	V	97.9	Very high	94.5	Very high	42 Å²	42	59 Å²	59	26%	0.255	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-64.3	-9.8	174.1	-57.2	0	0	0	0	112.8	F22 D23 L60 T63	F22-V25 HydrophobicContact CD1-CG2 4.47Å; F22-V25 HydrophobicContact CE1-CG2 4.15Å; F22-V25 HydrophobicContact CE2-CG1 4.26Å; F22-V25 HydrophobicContact CZ-CG2 4.31Å; F22-V25 WeakPolarHBondContact O-CG1 3.45Å; F22-V25 WeakPolarHBondContact O-CG2 3.46Å; F22-V25 PolarHBondContact O-N 3.06Å; F22-V25 VanDerWaalsContact O-N 3.13Å; D23-V25 PolarHBondContact O-N 3.25Å; D23-V25 VanDerWaalsContact O-N 3.08Å; V25-L60 HydrophobicContact CB-CD1 4.32Å; V25-L60 HydrophobicContact CG2-CD1 4.03Å; V25-T63 HydrophobicContact CG2-CG2 3.9Å
26	L	97.9	Very high	94.8	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-105	14.5	176.2	-53.5	-171.8	0	0	0	113.3	V17 D23 R24 K28 V29 L60 T63 L64 V67	V17-L26 HydrophobicContact CG1-CB 3.85Å; D23-L26 WeakPolarHBondContact O-CB 3.33Å; D23-L26 PolarHBondContact O-N 3.06Å; R24-L26 PolarHBondContact O-N 2.66Å; R24-L26 VanDerWaalsContact O-N 3.1Å; L26-K28 PolarHBondContact O-N 2.91Å; L26-V29 HydrophobicContact CB-CB 4.48Å; L26-V29 HydrophobicContact CB-CG2 4Å; L26-V29 HydrophobicContact CD2-CG2 4.32Å; L26-V29 WeakPolarHBondContact O-CB 3.25Å; L26-V29 WeakPolarHBondContact O-CG2 3.3Å; L26-V29 PolarHBondContact O-N 3.14Å; L26-L60 HydrophobicContact CD2-CD1 3.62Å; L26-T63 HydrophobicContact CD1-CG2 4.18Å; L26-T63 HydrophobicContact CD2-CG2 4.12Å; L26-T63 HydrophobicContact CG-CG2 4.19Å; L26-L64 HydrophobicContact CD2-CD2 3.69Å; L26-L64 HydrophobicContact CD2-CG 4Å; L26-V67 HydrophobicContact CD1-CB 3.53Å; L26-V67 HydrophobicContact CD1-CG1 3.72Å; L26-V67 HydrophobicContact CD1-CG2 3.67Å
27	S	96.6	Very high	95.2	Very high	39 Å²	39	58.5 Å²	58.5	27%	0.273	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-21.4	-176.3	62.6	0	0	0	0	115	R24	R24-S27 WeakPolarHBondContact O-CB 3.45Å; R24-S27 PolarHBondContact O-N 2.88Å; R24-S27 VanDerWaalsContact O-N 3.1Å; R24-S27 PolarHBondContact O-OG 3.5Å
28	K	97.3	Very high	95.7	Very high	78 Å²	78	62.5 Å²	62.5	34%	0.339	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	6.4	176.5	-55.8	-51.6	-171.6	75.6	0	114.4	L26 F43 E46 E48	L26-K28 PolarHBondContact O-N 2.91Å; K28-F43 WeakPolarHBondContact O-CB 3.44Å; K28-E46 VanDerWaalsContact NZ-CD 3.31Å; K28-E46 IonicContact NZ-OE1 2.77Å; K28-E46 PolarHBondContact NZ-OE1 3.44Å; K28-E46 VanDerWaalsContact NZ-OE1 3.1Å; K28-E46 IonicContact NZ-OE2 3.59Å; K28-E46 PolarHBondContact NZ-OE2 3.47Å; K28-E48 IonicContact NZ-OE1 3.11Å
29	V	97.9	Very high	96.1	Very high	11 Å²	11	57.4 Å²	57.4	7%	0.067	33%	0.326	C	S	.	.			trans	-94.4	126.3	-179.4	-176.5	0	0	0	0	110.4	M13 L26 C41 F43 L64 I68	M13-V29 HydrophobicContact CE-CB 3.86Å; M13-V29 HydrophobicContact CE-CG1 3.59Å; L26-V29 HydrophobicContact CB-CB 4.48Å; L26-V29 HydrophobicContact CB-CG2 4Å; L26-V29 HydrophobicContact CD2-CG2 4.32Å; L26-V29 WeakPolarHBondContact O-CB 3.25Å; L26-V29 WeakPolarHBondContact O-CG2 3.3Å; L26-V29 PolarHBondContact O-N 3.14Å; V29-C41 HydrophobicContact CG1-CB 3.62Å; V29-F43 HydrophobicContact CG2-CB 4.08Å; V29-F43 HydrophobicContact CG2-CG 4.29Å; V29-L64 HydrophobicContact CG2-CD2 3.75Å; V29-I68 HydrophobicContact CG1-CD1 4.16Å
30	D	96	Very high	96.6	Very high	91 Å²	91	56 Å²	56	49%	0.487	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.1	179.5	-75.9	-55.6	0	0	0	111.9	V32 C41 E42	D30-V32 PolarHBondContact O-N 3.08Å; D30-C41 CarbonylContact O-C 3.5Å; D30-C41 WeakPolarHBondContact O-CA 3.48Å; D30-C41 WeakPolarHBondContact O-CB 3.47Å; D30-E42 PolarHBondContact N-O 3.41Å; D30-E42 PolarHBondContact O-N 2.98Å
31	I	96.8	Very high	96.9	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.041	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.2	171.5	-54.3	-179.4	0	0	0	109.5	L6 L9 K10 M13 A34 V39	L6-I31 HydrophobicContact CD1-CG2 3.74Å; L9-I31 HydrophobicContact CB-CD1 4.42Å; L9-I31 HydrophobicContact CD2-CD1 4.06Å; L9-I31 HydrophobicContact CG-CD1 3.88Å; K10-I31 WeakPolarHBondContact CE-O 3.39Å; K10-I31 HydrophobicContact CG-CB 4.03Å; K10-I31 HydrophobicContact CG-CD1 4.17Å; K10-I31 HydrophobicContact CG-CG1 4.42Å; K10-I31 PolarHBondContact NZ-O 3.39Å; K10-I31 VanDerWaalsContact NZ-O 3.07Å; M13-I31 HydrophobicContact CB-CD1 4.09Å; M13-I31 HydrophobicContact SD-CD1 3.67Å; M13-I31 HydrophobicContact SD-CG1 3.43Å; M13-I31 WeakPolarHBondContact SD-CG1 3.34Å; I31-A34 HydrophobicContact CG2-CB 4.47Å; I31-V39 HydrophobicContact CG2-CG1 4.22Å
32	V	96	Very high	97	Very high	61 Å²	61	51.4 Å²	51.4	37%	0.37	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	-54.6	176.2	-172.5	0	0	0	0	110.3	D30 V40 E42	D30-V32 PolarHBondContact O-N 3.08Å; V32-V40 HydrophobicContact CB-CG1 4.41Å; V32-V40 PolarHBondContact N-O 3.13Å; V32-E42 HydrophobicContact CG2-CB 3.77Å; V32-E42 HydrophobicContact CG2-CG 3.48Å; V32-E42 VanDerWaalsContact CG2-CG 3.48Å; V32-E42 WeakPolarHBondContact CG2-OE2 3.29Å
33	T	96.3	Very high	97	Very high	77 Å²	77	45.4 Å²	45.4	47%	0.472	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	154.4	178.5	61.9	0	0	0	0	110.9	V40	T33-V40 PolarHBondContact N-O 2.92Å; T33-V40 PolarHBondContact O-N 2.8Å
34	A	95.5	Very high	97.1	Very high	24 Å²	24	47.3 Å²	47.3	20%	0.198	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	142	171.7	0	0	0	0	0	110.2	L6 L9 I31 K38 V39 Y75	L6-A34 HydrophobicContact CD1-CB 3.69Å; L9-A34 HydrophobicContact CD2-CB 3.58Å; I31-A34 HydrophobicContact CG2-CB 4.47Å; A34-K38 WeakPolarHBondContact CA-O 3.19Å; A34-V39 HydrophobicContact CB-CG2 4.19Å; A34-Y75 HydrophobicContact CB-CD1 4.08Å; A34-Y75 HydrophobicContact CB-CE1 3.78Å
35	S	94.8	Very high	97.2	Very high	58 Å²	58	41 Å²	41	41%	0.406	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	158.3	169.3	56.2	0	0	0	0	107.8	G37 K38 Y75	S35-G37 PolarHBondContact O-N 2.95Å; S35-G37 VanDerWaalsContact O-N 3.09Å; S35-K38 PolarHBondContact N-O 2.92Å; S35-K38 CarbonylContact O-C 3.52Å; S35-K38 PolarHBondContact O-N 3.17Å; S35-Y75 VanDerWaalsContact C-CD1 3.45Å; S35-Y75 VanDerWaalsContact O-CD1 3.27Å; S35-Y75 WeakPolarHBondContact O-CD1 3.41Å
36	P	94.6	Very high	97.3	Very high	100 Å²	100	42.3 Å²	42.3	65%	0.649	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.4	122.4	-177.1	-30.7	36.2	0	0	0	113.4	K38 Y75	P36-K38 VanDerWaalsContact C-N 3.32Å; P36-K38 PolarHBondContact O-N 3.43Å; P36-Y75 CarbonylContact C-O 3.57Å; P36-Y75 WeakPolarHBondContact CA-O 3.31Å
37	G	96.4	Very high	97.3	Very high	10 Å²	10	49.7 Å²	49.7	10%	0.103	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.6	5.6	-177.1	0	0	0	0	0	116	S35 Y75 T106 V107	S35-G37 PolarHBondContact O-N 2.95Å; S35-G37 VanDerWaalsContact O-N 3.09Å; G37-Y75 PolarHBondContact N-O 3.02Å; G37-T106 CarbonylContact O-C 3.57Å; G37-T106 WeakPolarHBondContact O-CA 3.45Å; G37-V107 WeakPolarHBondContact O-CG2 3.37Å; G37-V107 PolarHBondContact O-N 2.87Å
38	K	98	Very high	97.4	Very high	91 Å²	91	53.3 Å²	53.3	40%	0.396	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	128.5	177.9	-174.7	177.9	-177.9	177.5	0	112.2	A34 S35 P36 A105	A34-K38 WeakPolarHBondContact CA-O 3.19Å; S35-K38 PolarHBondContact N-O 2.92Å; S35-K38 CarbonylContact O-C 3.52Å; S35-K38 PolarHBondContact O-N 3.17Å; P36-K38 VanDerWaalsContact C-N 3.32Å; P36-K38 PolarHBondContact O-N 3.43Å; K38-A105 VanDerWaalsContact CA-O 3.28Å; K38-A105 WeakPolarHBondContact CA-O 3.48Å; K38-A105 WeakPolarHBondContact CG-O 3.45Å
39	V	98.1	Very high	97.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	134.2	178.9	176.3	0	0	0	0	108.8	L9 I31 A34 I68 T71 A72 A105	L9-V39 HydrophobicContact CD2-CG2 3.93Å; I31-V39 HydrophobicContact CG2-CG1 4.22Å; A34-V39 HydrophobicContact CB-CG2 4.19Å; V39-I68 HydrophobicContact CB-CG2 4.45Å; V39-I68 HydrophobicContact CG1-CG2 4.18Å; V39-T71 HydrophobicContact CG1-CG2 4.36Å; V39-T71 HydrophobicContact CG2-CG2 4.18Å; V39-A72 HydrophobicContact CB-CB 4.24Å; V39-A72 HydrophobicContact CG2-CB 3.95Å; V39-A105 PolarHBondContact N-O 2.84Å; V39-A105 PolarHBondContact O-N 3.24Å
40	V	98.4	Very high	97.5	Very high	21 Å²	21	50.7 Å²	50.7	13%	0.127	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.6	173.2	-174.9	0	0	0	0	108.2	V32 T33 I103 T104	V32-V40 HydrophobicContact CB-CG1 4.41Å; V32-V40 PolarHBondContact N-O 3.13Å; T33-V40 PolarHBondContact N-O 2.92Å; T33-V40 PolarHBondContact O-N 2.8Å; V40-I103 CarbonylContact C-O 3.56Å; V40-I103 WeakPolarHBondContact CA-O 3.32Å; V40-T104 HydrophobicContact CG2-CG2 4.14Å
41	C	98.6	Very high	97.6	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	165.1	173.6	-57.2	0	0	0	0	111.1	V29 D30 I68 L102 I103	V29-C41 HydrophobicContact CG1-CB 3.62Å; D30-C41 CarbonylContact O-C 3.5Å; D30-C41 WeakPolarHBondContact O-CA 3.48Å; D30-C41 WeakPolarHBondContact O-CB 3.47Å; C41-I68 HydrophobicContact CB-CD1 3.79Å; C41-L102 WeakPolarHBondContact O-CA 3.43Å; C41-I103 HydrophobicContact CB-CD1 4.31Å; C41-I103 PolarHBondContact N-O 3Å; C41-I103 PolarHBondContact O-N 3.2Å
42	E	98.4	Very high	97.6	Very high	55 Å²	55	61.1 Å²	61.1	26%	0.257	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	155.6	170.7	72.1	-175.5	-152.5	0	0	111.9	D30 V32 V101 L102 K124	D30-E42 PolarHBondContact N-O 3.41Å; D30-E42 PolarHBondContact O-N 2.98Å; V32-E42 HydrophobicContact CG2-CB 3.77Å; V32-E42 HydrophobicContact CG2-CG 3.48Å; V32-E42 VanDerWaalsContact CG2-CG 3.48Å; V32-E42 WeakPolarHBondContact CG2-OE2 3.29Å; E42-V101 VanDerWaalsContact CA-O 3.23Å; E42-V101 WeakPolarHBondContact CA-O 3.13Å; E42-L102 HydrophobicContact CB-CD2 3.77Å; E42-K124 IonicContact OE1-NZ 3.14Å; E42-K124 PolarHBondContact OE1-NZ 2.98Å; E42-K124 VanDerWaalsContact OE1-NZ 3.14Å; E42-K124 WeakPolarHBondContact OE2-CE 3.46Å; E42-K124 IonicContact OE2-NZ 2.66Å; E42-K124 PolarHBondContact OE2-NZ 3.31Å
43	F	98.6	Very high	97.7	Very high	7 Å²	7	61.1 Å²	61.1	3%	0.031	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	162.1	168.5	78.1	-64.4	0	0	0	110.2	K28 V29 V45 H49 L56 L64 V101 I103	K28-F43 WeakPolarHBondContact O-CB 3.44Å; V29-F43 HydrophobicContact CG2-CB 4.08Å; V29-F43 HydrophobicContact CG2-CG 4.29Å; F43-V45 HydrophobicContact CE2-CG2 4.13Å; F43-V45 HydrophobicContact CZ-CG2 4.17Å; F43-H49 AromaticContact CD2-CE1 3.9Å; F43-H49 AromaticContact CD2-ND1 3.72Å; F43-H49 HydrophobicContact CE2-CB 4.3Å; F43-H49 AromaticContact CE2-CG 3.96Å; F43-H49 AromaticContact CE2-ND1 3.74Å; F43-L56 HydrophobicContact CE2-CD1 4.07Å; F43-L56 HydrophobicContact CZ-CD1 3.69Å; F43-L56 HydrophobicContact CZ-CD2 4.04Å; F43-L64 HydrophobicContact CE1-CD1 3.69Å; F43-L64 HydrophobicContact CZ-CD1 3.77Å; F43-V101 HydrophobicContact CD1-CB 3.99Å; F43-V101 HydrophobicContact CD1-CG1 4.45Å; F43-V101 HydrophobicContact CE1-CB 3.61Å; F43-V101 HydrophobicContact CE1-CG1 3.81Å; F43-V101 HydrophobicContact CE1-CG2 4.24Å; F43-V101 HydrophobicContact CZ-CB 4.34Å; F43-V101 PolarHBondContact N-O 3.4Å; F43-V101 VanDerWaalsContact N-O 3.13Å; F43-V101 PolarHBondContact O-N 2.87Å; F43-I103 HydrophobicContact CD1-CD1 3.56Å; F43-I103 HydrophobicContact CE1-CD1 3.8Å
44	K	98.8	Very high	97.8	Very high	86 Å²	86	59.1 Å²	59.1	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.9	168.8	-168.8	171.3	-72.1	-73.5	0	109.4	E46 H49 G98 D100	K44-E46 PolarHBondContact O-N 2.94Å; K44-H49 PolarHBondContact O-ND1 3.11Å; K44-G98 PolarHBondContact NZ-O 2.97Å; K44-D100 VanDerWaalsContact CE-OD1 3.31Å; K44-D100 WeakPolarHBondContact CE-OD1 3.49Å; K44-D100 VanDerWaalsContact NZ-CG 3.3Å; K44-D100 IonicContact NZ-OD1 2.82Å; K44-D100 PolarHBondContact NZ-OD1 3.44Å; K44-D100 VanDerWaalsContact NZ-OD1 3.11Å; K44-D100 IonicContact NZ-OD2 3.1Å; K44-D100 PolarHBondContact NZ-OD2 2.92Å
45	V	98.8	Very high	97.9	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	32%	0.315	C	S	.	.			trans	-68.2	117.8	172.3	-174.9	0	0	0	0	108.2	F43 H49 T50 L56 A95 G98 E99 V101	F43-V45 HydrophobicContact CE2-CG2 4.13Å; F43-V45 HydrophobicContact CZ-CG2 4.17Å; V45-H49 HydrophobicContact CG1-CB 4.12Å; V45-T50 HydrophobicContact CG1-CG2 3.97Å; V45-L56 HydrophobicContact CG1-CB 4.42Å; V45-L56 HydrophobicContact CG2-CB 4.42Å; V45-A95 HydrophobicContact CG2-CB 4.19Å; V45-G98 PolarHBondContact O-N 2.83Å; V45-E99 PolarHBondContact N-O 3.31Å; V45-V101 HydrophobicContact CG2-CG2 3.8Å
46	E	98.8	Very high	98.1	Very high	70 Å²	70	57.4 Å²	57.4	33%	0.327	30%	0.299	S	S	.	.			trans	-114.4	171.3	179.2	-68.4	-176.3	-152.9	0	0	108.2	K28 K44 E48 H49 T50	K28-E46 VanDerWaalsContact NZ-CD 3.31Å; K28-E46 IonicContact NZ-OE1 2.77Å; K28-E46 PolarHBondContact NZ-OE1 3.44Å; K28-E46 VanDerWaalsContact NZ-OE1 3.1Å; K28-E46 IonicContact NZ-OE2 3.59Å; K28-E46 PolarHBondContact NZ-OE2 3.47Å; K44-E46 PolarHBondContact O-N 2.94Å; E46-E48 VanDerWaalsContact C-N 3.26Å; E46-E48 HydrophobicContact CB-CG 4.35Å; E46-E48 PolarHBondContact O-N 3.44Å; E46-H49 PolarHBondContact N-ND1 3.28Å; E46-H49 WeakPolarHBondContact O-CA 3.36Å; E46-H49 VanDerWaalsContact O-CB 3.31Å; E46-H49 WeakPolarHBondContact O-CB 3.31Å; E46-H49 PolarHBondContact O-N 3.01Å; E46-T50 WeakPolarHBondContact O-CG2 3.39Å
47	E	98.5	Very high	98.3	Very high	155 Å²	155	56.9 Å²	56.9	72%	0.724	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-53.7	-43.1	-177.3	-175.1	173.2	-164.3	0	0	112.4	H49 T50 M97	E47-H49 PolarHBondContact O-N 3.28Å; E47-H49 VanDerWaalsContact O-N 3.11Å; E47-T50 PolarHBondContact O-N 2.94Å; E47-T50 PolarHBondContact O-OG1 3.49Å; E47-M97 HydrophobicContact CB-SD 4.16Å
48	E	98.4	Very high	98.4	Very high	115 Å²	115	57.5 Å²	57.5	54%	0.537	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-61.1	-19.9	177.5	65.3	178.7	137.2	0	0	114	K28 E46	K28-E48 IonicContact NZ-OE1 3.11Å; E46-E48 VanDerWaalsContact C-N 3.26Å; E46-E48 HydrophobicContact CB-CG 4.35Å; E46-E48 PolarHBondContact O-N 3.44Å
49	H	98.8	Very high	98.5	Very high	3 Å²	3	54.9 Å²	54.9	1%	0.014	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-90.3	-8.1	179.2	-55.9	141.3	0	0	0	113	F43 K44 V45 E46 E47 L56 H57 L60	F43-H49 AromaticContact CD2-CE1 3.9Å; F43-H49 AromaticContact CD2-ND1 3.72Å; F43-H49 HydrophobicContact CE2-CB 4.3Å; F43-H49 AromaticContact CE2-CG 3.96Å; F43-H49 AromaticContact CE2-ND1 3.74Å; K44-H49 PolarHBondContact O-ND1 3.11Å; V45-H49 HydrophobicContact CG1-CB 4.12Å; E46-H49 PolarHBondContact N-ND1 3.28Å; E46-H49 WeakPolarHBondContact O-CA 3.36Å; E46-H49 VanDerWaalsContact O-CB 3.31Å; E46-H49 WeakPolarHBondContact O-CB 3.31Å; E46-H49 PolarHBondContact O-N 3.01Å; E47-H49 PolarHBondContact O-N 3.28Å; E47-H49 VanDerWaalsContact O-N 3.11Å; H49-L56 HydrophobicContact CB-CD1 4.22Å; H49-H57 WeakPolarHBondContact O-CB 3.42Å; H49-H57 PolarHBondContact O-N 3.05Å; H49-L60 HydrophobicContact CB-CD2 3.43Å; H49-L60 VanDerWaalsContact CB-CD2 3.43Å; H49-L60 VanDerWaalsContact CD2-CD2 3.46Å; H49-L60 WeakPolarHBondContact CD2-CD2 3.5Å
50	T	98.8	Very high	98.5	Very high	32 Å²	32	55.7 Å²	55.7	20%	0.196	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-93.8	153.9	-169.4	64.1	0	0	0	0	114.4	V45 E46 E47 T55 M97	V45-T50 HydrophobicContact CG1-CG2 3.97Å; E46-T50 WeakPolarHBondContact O-CG2 3.39Å; E47-T50 PolarHBondContact O-N 2.94Å; E47-T50 PolarHBondContact O-OG1 3.49Å; T50-T55 CarbonylContact C-O 3.42Å; T50-T55 WeakPolarHBondContact CA-O 3.43Å; T50-M97 HydrophobicContact CG2-CB 4.19Å
51	N	98.5	Very high	98.5	Very high	49 Å²	49	54.8 Å²	54.8	26%	0.262	29%	0.292	S	S	.	.			trans	-84.3	178.2	162.1	62.5	41.6	0	0	0	111.2	G53 G54 T55 H57	N51-G53 PolarHBondContact O-N 2.8Å; N51-G53 VanDerWaalsContact OD1-CA 3.3Å; N51-G53 WeakPolarHBondContact OD1-CA 3.33Å; N51-G53 PolarHBondContact OD1-N 2.85Å; N51-G54 PolarHBondContact O-N 3.47Å; N51-G54 PolarHBondContact OD1-N 2.84Å; N51-T55 PolarHBondContact N-O 2.81Å; N51-T55 PolarHBondContact ND2-O 3.39Å; N51-T55 PolarHBondContact ND2-OG1 3.07Å; N51-T55 PolarHBondContact OD1-N 2.84Å; N51-T55 PolarHBondContact OD1-O 2.85Å; N51-T55 PolarHBondContact OD1-OG1 3.23Å; N51-T55 VanDerWaalsContact OD1-OG1 3.14Å; N51-H57 HydrophobicContact CB-CB 4.28Å
52	R	97.6	Very high	98.6	Very high	268 Å²	268	55.8 Å²	55.8	100%	1.011	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-18.7	178.8	-61.4	-179.5	-175.6	170.2	0.9	114.4
53	G	97.5	Very high	98.6	Very high	62 Å²	62	53.9 Å²	53.9	64%	0.639	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	7.6	176.2	0	0	0	0	0	114.4	N51 T55	N51-G53 PolarHBondContact O-N 2.8Å; N51-G53 VanDerWaalsContact OD1-CA 3.3Å; N51-G53 WeakPolarHBondContact OD1-CA 3.33Å; N51-G53 PolarHBondContact OD1-N 2.85Å; G53-T55 VanDerWaalsContact C-N 3.3Å; G53-T55 PolarHBondContact O-N 3.3Å
54	G	97.7	Very high	98.6	Very high	35 Å²	35	53.5 Å²	53.5	36%	0.361	29%	0.291	S	S	.	.	S	Bend	trans	71.4	22.7	178.3	0	0	0	0	0	114.3	N51 M97	N51-G54 PolarHBondContact O-N 3.47Å; N51-G54 PolarHBondContact OD1-N 2.84Å; G54-M97 PolarHBondContact O-N 3.28Å
55	T	98.8	Very high	98.6	Very high	33 Å²	33	49.4 Å²	49.4	20%	0.202	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-121.8	158.7	178.2	58	0	0	0	0	110.3	T50 N51 G53 H57 A94 A95	T50-T55 CarbonylContact C-O 3.42Å; T50-T55 WeakPolarHBondContact CA-O 3.43Å; N51-T55 PolarHBondContact N-O 2.81Å; N51-T55 PolarHBondContact ND2-O 3.39Å; N51-T55 PolarHBondContact ND2-OG1 3.07Å; N51-T55 PolarHBondContact OD1-N 2.84Å; N51-T55 PolarHBondContact OD1-O 2.85Å; N51-T55 PolarHBondContact OD1-OG1 3.23Å; N51-T55 VanDerWaalsContact OD1-OG1 3.14Å; G53-T55 VanDerWaalsContact C-N 3.3Å; G53-T55 PolarHBondContact O-N 3.3Å; T55-H57 PolarHBondContact O-N 3.4Å; T55-H57 VanDerWaalsContact O-N 3.17Å; T55-A94 HydrophobicContact CG2-CB 3.85Å; T55-A95 CarbonylContact C-O 3.56Å; T55-A95 VanDerWaalsContact CA-O 3.29Å; T55-A95 WeakPolarHBondContact CA-O 3.23Å
56	L	98.8	Very high	98.6	Very high	13 Å²	13	51.6 Å²	51.6	7%	0.068	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-47	122.6	179.2	-180	60.2	0	0	0	111.4	F43 V45 H49 G58 L60 T61 A95 L121	F43-L56 HydrophobicContact CE2-CD1 4.07Å; F43-L56 HydrophobicContact CZ-CD1 3.69Å; F43-L56 HydrophobicContact CZ-CD2 4.04Å; V45-L56 HydrophobicContact CG1-CB 4.42Å; V45-L56 HydrophobicContact CG2-CB 4.42Å; H49-L56 HydrophobicContact CB-CD1 4.22Å; L56-G58 PolarHBondContact O-N 2.95Å; L56-L60 HydrophobicContact CD1-CB 4.46Å; L56-L60 HydrophobicContact CD1-CD2 3.74Å; L56-L60 HydrophobicContact CD1-CG 4.24Å; L56-T61 WeakPolarHBondContact CD2-OG1 3.43Å; L56-A95 HydrophobicContact CB-CB 4.01Å; L56-A95 HydrophobicContact CD2-CB 4.39Å; L56-A95 PolarHBondContact N-O 2.91Å; L56-L121 HydrophobicContact CD2-CD2 4.18Å
57	H	98.9	Very high	98.6	Very high	88 Å²	88	48.5 Å²	48.5	41%	0.407	27%	0.27	S	S	.	.			trans	-66.2	130.2	-176	-168.8	-75.4	0	0	0	110.7	H49 N51 T55 G59 L60 T61	H49-H57 WeakPolarHBondContact O-CB 3.42Å; H49-H57 PolarHBondContact O-N 3.05Å; N51-H57 HydrophobicContact CB-CB 4.28Å; T55-H57 PolarHBondContact O-N 3.4Å; T55-H57 VanDerWaalsContact O-N 3.17Å; H57-G59 VanDerWaalsContact C-N 3.27Å; H57-G59 WeakPolarHBondContact ND1-CA 3.42Å; H57-G59 PolarHBondContact ND1-N 2.82Å; H57-G59 PolarHBondContact O-N 3.27Å; H57-L60 HydrophobicContact CB-CB 4.18Å; H57-L60 WeakPolarHBondContact O-CB 3.11Å; H57-L60 PolarHBondContact O-N 3Å; H57-T61 PolarHBondContact O-N 3.35Å; H57-T61 PolarHBondContact O-OG1 3.36Å
58	G	98.8	Very high	98.5	Very high	24 Å²	24	41.1 Å²	41.1	25%	0.247	24%	0.236	C	C	.	.	H	α-helix	trans	-58.4	-38.5	-179.4	0	0	0	0	0	113.1	L56 L60 T61 A62 Y91	L56-G58 PolarHBondContact O-N 2.95Å; G58-L60 PolarHBondContact O-N 3.12Å; G58-T61 WeakPolarHBondContact O-CB 3.03Å; G58-T61 PolarHBondContact O-N 3.24Å; G58-A62 PolarHBondContact O-N 2.91Å; G58-Y91 PolarHBondContact O-OH 3.46Å
59	G	98.8	Very high	98.6	Very high	36 Å²	36	35.6 Å²	35.6	37%	0.371	21%	0.21	S	C	.	.	H	α-helix	trans	-58.9	-40.4	171.1	0	0	0	0	0	114.1	H57 A62 T63	H57-G59 VanDerWaalsContact C-N 3.27Å; H57-G59 WeakPolarHBondContact ND1-CA 3.42Å; H57-G59 PolarHBondContact ND1-N 2.82Å; H57-G59 PolarHBondContact O-N 3.27Å; G59-A62 WeakPolarHBondContact O-CB 3.45Å; G59-A62 PolarHBondContact O-N 3.27Å; G59-T63 PolarHBondContact O-N 2.94Å; G59-T63 PolarHBondContact O-OG1 3.49Å
60	L	98.8	Very high	98.5	Very high	16 Å²	16	36.1 Å²	36.1	8%	0.084	21%	0.214	C	C	.	.	H	α-helix	trans	-69.6	-39.9	175.9	179.2	62.3	0	0	0	111.1	V25 L26 H49 L56 H57 G58 A62 T63 L64	V25-L60 HydrophobicContact CB-CD1 4.32Å; V25-L60 HydrophobicContact CG2-CD1 4.03Å; L26-L60 HydrophobicContact CD2-CD1 3.62Å; H49-L60 HydrophobicContact CB-CD2 3.43Å; H49-L60 VanDerWaalsContact CB-CD2 3.43Å; H49-L60 VanDerWaalsContact CD2-CD2 3.46Å; H49-L60 WeakPolarHBondContact CD2-CD2 3.5Å; L56-L60 HydrophobicContact CD1-CB 4.46Å; L56-L60 HydrophobicContact CD1-CD2 3.74Å; L56-L60 HydrophobicContact CD1-CG 4.24Å; H57-L60 HydrophobicContact CB-CB 4.18Å; H57-L60 WeakPolarHBondContact O-CB 3.11Å; H57-L60 PolarHBondContact O-N 3Å; G58-L60 PolarHBondContact O-N 3.12Å; L60-A62 PolarHBondContact O-N 3.01Å; L60-T63 WeakPolarHBondContact O-CB 3.48Å; L60-T63 PolarHBondContact O-N 3.25Å; L60-T63 VanDerWaalsContact O-N 3.12Å; L60-L64 HydrophobicContact CG-CD1 4.4Å; L60-L64 WeakPolarHBondContact O-CG 3.33Å; L60-L64 PolarHBondContact O-N 2.85Å
61	T	98.9	Very high	98.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.012	21%	0.206	C	C	.	.	H	α-helix	trans	-55.1	-42.1	170.1	-63.4	0	0	0	0	111.4	L56 H57 G58 L64 V65 I89 Y91 L121 A131	L56-T61 WeakPolarHBondContact CD2-OG1 3.43Å; H57-T61 PolarHBondContact O-N 3.35Å; H57-T61 PolarHBondContact O-OG1 3.36Å; G58-T61 WeakPolarHBondContact O-CB 3.03Å; G58-T61 PolarHBondContact O-N 3.24Å; T61-L64 WeakPolarHBondContact O-CB 3.47Å; T61-L64 PolarHBondContact O-N 2.93Å; T61-V65 WeakPolarHBondContact O-CG2 3.19Å; T61-V65 PolarHBondContact O-N 3.06Å; T61-I89 HydrophobicContact CG2-CG2 4.34Å; T61-Y91 HydrophobicContact CG2-CD1 4.37Å; T61-Y91 HydrophobicContact CG2-CE1 3.66Å; T61-L121 HydrophobicContact CG2-CD1 4.2Å; T61-L121 HydrophobicContact CG2-CD2 3.82Å; T61-A131 HydrophobicContact CG2-CB 3.77Å
62	A	98.9	Very high	98.3	Very high	21 Å²	21	32.5 Å²	32.5	17%	0.174	19%	0.193	C	C	.	.	H	α-helix	trans	-64.2	-40.8	175.5	0	0	0	0	0	112.9	G58 G59 L60 L64 V65 D66 M87 I89	G58-A62 PolarHBondContact O-N 2.91Å; G59-A62 WeakPolarHBondContact O-CB 3.45Å; G59-A62 PolarHBondContact O-N 3.27Å; L60-A62 PolarHBondContact O-N 3.01Å; A62-L64 VanDerWaalsContact C-N 3.35Å; A62-V65 PolarHBondContact O-N 2.98Å; A62-D66 PolarHBondContact O-N 3.45Å; A62-M87 HydrophobicContact CB-CE 4.18Å; A62-I89 HydrophobicContact CB-CD1 3.41Å; A62-I89 VanDerWaalsContact CB-CD1 3.41Å
63	T	98.8	Very high	98.2	Very high	15 Å²	15	19.7 Å²	19.7	9%	0.092	15%	0.145	C	C	.	.	H	α-helix	trans	-62.7	-40.6	173.5	-48.7	0	0	0	0	112.1	F22 V25 L26 G59 L60 D66 V67	F22-T63 HydrophobicContact CD1-CG2 4.22Å; F22-T63 HydrophobicContact CE1-CG2 3.76Å; F22-T63 WeakPolarHBondContact CE1-OG1 3.29Å; V25-T63 HydrophobicContact CG2-CG2 3.9Å; L26-T63 HydrophobicContact CD1-CG2 4.18Å; L26-T63 HydrophobicContact CD2-CG2 4.12Å; L26-T63 HydrophobicContact CG-CG2 4.19Å; G59-T63 PolarHBondContact O-N 2.94Å; G59-T63 PolarHBondContact O-OG1 3.49Å; L60-T63 WeakPolarHBondContact O-CB 3.48Å; L60-T63 PolarHBondContact O-N 3.25Å; L60-T63 VanDerWaalsContact O-N 3.12Å; T63-D66 PolarHBondContact O-N 2.99Å; T63-V67 HydrophobicContact CG2-CG2 4.2Å; T63-V67 WeakPolarHBondContact O-CG2 3.37Å; T63-V67 PolarHBondContact O-N 3.06Å
64	L	98.8	Very high	98.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-44.3	174.5	-73.1	165.5	0	0	0	111.5	L26 V29 F43 L60 T61 A62 I68 I103 L121	L26-L64 HydrophobicContact CD2-CD2 3.69Å; L26-L64 HydrophobicContact CD2-CG 4Å; V29-L64 HydrophobicContact CG2-CD2 3.75Å; F43-L64 HydrophobicContact CE1-CD1 3.69Å; F43-L64 HydrophobicContact CZ-CD1 3.77Å; L60-L64 HydrophobicContact CG-CD1 4.4Å; L60-L64 WeakPolarHBondContact O-CG 3.33Å; L60-L64 PolarHBondContact O-N 2.85Å; T61-L64 WeakPolarHBondContact O-CB 3.47Å; T61-L64 PolarHBondContact O-N 2.93Å; A62-L64 VanDerWaalsContact C-N 3.35Å; L64-I68 HydrophobicContact CB-CD1 4.5Å; L64-I68 HydrophobicContact CD2-CD1 3.84Å; L64-I68 VanDerWaalsContact O-CB 3.25Å; L64-I68 WeakPolarHBondContact O-CB 3.44Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 2.98Å; L64-I103 HydrophobicContact CD1-CG1 4.45Å; L64-I103 HydrophobicContact CD2-CD1 4.2Å; L64-I103 HydrophobicContact CD2-CG1 4.38Å; L64-L121 HydrophobicContact CD1-CD2 3.94Å
65	V	98.9	Very high	97.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-59.8	-48.3	175.5	173	0	0	0	0	110.5	T61 A62 S69 M87 I89 V119 L121 H135	T61-V65 WeakPolarHBondContact O-CG2 3.19Å; T61-V65 PolarHBondContact O-N 3.06Å; A62-V65 PolarHBondContact O-N 2.98Å; V65-S69 WeakPolarHBondContact O-CB 3.44Å; V65-S69 PolarHBondContact O-N 3.31Å; V65-S69 PolarHBondContact O-OG 3.3Å; V65-M87 HydrophobicContact CB-SD 4.02Å; V65-M87 HydrophobicContact CG1-CG 4.07Å; V65-M87 HydrophobicContact CG1-SD 3.62Å; V65-I89 HydrophobicContact CB-CD1 4.37Å; V65-I89 HydrophobicContact CG2-CD1 4.18Å; V65-I89 HydrophobicContact CG2-CG1 4.3Å; V65-V119 HydrophobicContact CB-CB 4.42Å; V65-V119 HydrophobicContact CB-CG2 4.49Å; V65-V119 HydrophobicContact CG1-CB 4.16Å; V65-V119 HydrophobicContact CG1-CG2 4.01Å; V65-V119 HydrophobicContact CG2-CB 4.13Å; V65-V119 HydrophobicContact CG2-CG1 4.27Å; V65-L121 HydrophobicContact CG2-CD1 4.05Å; V65-H135 HydrophobicContact CG1-CB 4.46Å
66	D	98.8	Very high	97.5	Very high	46 Å²	46	17.8 Å²	17.8	25%	0.246	11%	0.109	C	C	.	.	H	α-helix	trans	-61.1	-57.3	-179.3	179.6	29.1	0	0	0	112.5	A62 T63 S69 T70 S84 M87 H135	A62-D66 PolarHBondContact O-N 3.45Å; T63-D66 PolarHBondContact O-N 2.99Å; D66-S69 PolarHBondContact O-OG 2.87Å; D66-T70 WeakPolarHBondContact O-CB 3.25Å; D66-T70 PolarHBondContact O-N 3.33Å; D66-T70 PolarHBondContact O-OG1 2.77Å; D66-S84 PolarHBondContact OD1-OG 2.86Å; D66-M87 HydrophobicContact CB-CE 4.2Å; D66-M87 HydrophobicContact CB-SD 3.99Å; D66-H135 IonicContact OD1-CE1 2.92Å; D66-H135 PolarHBondContact OD1-CE1 2.84Å; D66-H135 IonicContact OD1-ND1 3.71Å; D66-H135 IonicContact OD1-NE2 3.73Å
67	V	97.9	Very high	97.1	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.03	14%	0.144	C	C	.	.	H	α-helix	trans	-72.2	-40.8	-171.2	178.1	0	0	0	0	111.9	M16 L26 T63 T70 T71	M16-V67 HydrophobicContact CE-CG1 4.37Å; L26-V67 HydrophobicContact CD1-CB 3.53Å; L26-V67 HydrophobicContact CD1-CG1 3.72Å; L26-V67 HydrophobicContact CD1-CG2 3.67Å; T63-V67 HydrophobicContact CG2-CG2 4.2Å; T63-V67 WeakPolarHBondContact O-CG2 3.37Å; T63-V67 PolarHBondContact O-N 3.06Å; V67-T70 WeakPolarHBondContact O-CB 3.47Å; V67-T70 PolarHBondContact O-N 2.83Å; V67-T71 PolarHBondContact O-N 2.88Å; V67-T71 PolarHBondContact O-OG1 2.76Å
68	I	98.3	Very high	96.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-75.8	-35.1	-176.6	-57.6	179.4	0	0	0	110.7	V29 V39 C41 L64 T70 T71 A72 I103 A105	V29-I68 HydrophobicContact CG1-CD1 4.16Å; V39-I68 HydrophobicContact CB-CG2 4.45Å; V39-I68 HydrophobicContact CG1-CG2 4.18Å; C41-I68 HydrophobicContact CB-CD1 3.79Å; L64-I68 HydrophobicContact CB-CD1 4.5Å; L64-I68 HydrophobicContact CD2-CD1 3.84Å; L64-I68 VanDerWaalsContact O-CB 3.25Å; L64-I68 WeakPolarHBondContact O-CB 3.44Å; L64-I68 WeakPolarHBondContact O-CG1 3.4Å; L64-I68 PolarHBondContact O-N 2.98Å; I68-T70 VanDerWaalsContact C-N 3.35Å; I68-T71 WeakPolarHBondContact O-CB 3.35Å; I68-T71 PolarHBondContact O-N 3.37Å; I68-A72 PolarHBondContact O-N 2.89Å; I68-I103 HydrophobicContact CB-CG2 4.38Å; I68-I103 HydrophobicContact CD1-CB 3.68Å; I68-I103 HydrophobicContact CD1-CD1 4.11Å; I68-I103 HydrophobicContact CD1-CG1 4.02Å; I68-I103 HydrophobicContact CD1-CG2 3.64Å; I68-I103 HydrophobicContact CG2-CG2 4.32Å; I68-A105 HydrophobicContact CB-CB 4.43Å; I68-A105 HydrophobicContact CG2-CB 3.71Å; I68-A105 WeakPolarHBondContact O-CB 3.43Å
69	S	98.6	Very high	96.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-64.5	-39.6	168.9	62.8	0	0	0	0	112.2	V65 D66 T71 A72 I73 H135	V65-S69 WeakPolarHBondContact O-CB 3.44Å; V65-S69 PolarHBondContact O-N 3.31Å; V65-S69 PolarHBondContact O-OG 3.3Å; D66-S69 PolarHBondContact O-OG 2.87Å; S69-T71 VanDerWaalsContact C-N 3.31Å; S69-T71 PolarHBondContact O-N 2.86Å; S69-A72 PolarHBondContact O-N 2.86Å; S69-I73 VanDerWaalsContact O-CG1 3.25Å; S69-I73 WeakPolarHBondContact O-CG1 3.33Å; S69-I73 PolarHBondContact O-N 3.5Å; S69-H135 PolarHBondContact OG-ND1 2.84Å
70	T	97.3	Very high	95.8	Very high	13 Å²	13	25.4 Å²	25.4	8%	0.08	14%	0.137	C	C	.	.	H	α-helix	trans	-59.2	-44.3	173.7	-62	0	0	0	0	111	D66 V67 I68 A72 I73 M74 P81 K137	D66-T70 WeakPolarHBondContact O-CB 3.25Å; D66-T70 PolarHBondContact O-N 3.33Å; D66-T70 PolarHBondContact O-OG1 2.77Å; V67-T70 WeakPolarHBondContact O-CB 3.47Å; V67-T70 PolarHBondContact O-N 2.83Å; I68-T70 VanDerWaalsContact C-N 3.35Å; T70-A72 VanDerWaalsContact C-N 3.33Å; T70-A72 PolarHBondContact O-N 3.39Å; T70-I73 PolarHBondContact O-N 3.17Å; T70-M74 HydrophobicContact CG2-CG 4.46Å; T70-M74 HydrophobicContact CG2-SD 4.3Å; T70-M74 WeakPolarHBondContact O-CG 3.35Å; T70-M74 PolarHBondContact O-N 3.33Å; T70-P81 HydrophobicContact CG2-CB 3.87Å; T70-K137 PolarHBondContact OG1-NZ 2.85Å
71	T	96.2	Very high	95.6	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-59.7	-43.2	176.4	-54.8	0	0	0	0	111.1	L9 V39 V67 I68 S69 M74 Y75	L9-T71 HydrophobicContact CD1-CG2 3.64Å; L9-T71 HydrophobicContact CD2-CG2 3.96Å; L9-T71 HydrophobicContact CG-CG2 3.84Å; V39-T71 HydrophobicContact CG1-CG2 4.36Å; V39-T71 HydrophobicContact CG2-CG2 4.18Å; V67-T71 PolarHBondContact O-N 2.88Å; V67-T71 PolarHBondContact O-OG1 2.76Å; I68-T71 WeakPolarHBondContact O-CB 3.35Å; I68-T71 PolarHBondContact O-N 3.37Å; S69-T71 VanDerWaalsContact C-N 3.31Å; S69-T71 PolarHBondContact O-N 2.86Å; T71-M74 PolarHBondContact O-N 2.63Å; T71-Y75 WeakPolarHBondContact O-CB 3.48Å; T71-Y75 PolarHBondContact O-N 2.91Å
72	A	97.1	Very high	95.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.7	-37.3	175.8	0	0	0	0	0	113.4	V39 I68 S69 T70 Y75 A105 V107	V39-A72 HydrophobicContact CB-CB 4.24Å; V39-A72 HydrophobicContact CG2-CB 3.95Å; I68-A72 PolarHBondContact O-N 2.89Å; S69-A72 PolarHBondContact O-N 2.86Å; T70-A72 VanDerWaalsContact C-N 3.33Å; T70-A72 PolarHBondContact O-N 3.39Å; A72-Y75 CarbonylContact O-C 3.6Å; A72-Y75 PolarHBondContact O-N 2.98Å; A72-A105 HydrophobicContact CB-CB 3.93Å; A72-V107 HydrophobicContact CB-CG2 4.14Å
73	I	96.4	Very high	95.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-69.4	-39.7	176.8	-67.9	165.3	0	0	0	111.4	S69 T70 Y75 T76 A80 V107 A115 A117 K137 L139	S69-I73 VanDerWaalsContact O-CG1 3.25Å; S69-I73 WeakPolarHBondContact O-CG1 3.33Å; S69-I73 PolarHBondContact O-N 3.5Å; T70-I73 PolarHBondContact O-N 3.17Å; I73-Y75 PolarHBondContact O-N 3.3Å; I73-T76 WeakPolarHBondContact O-CG2 3.39Å; I73-T76 PolarHBondContact O-OG1 3.09Å; I73-A80 WeakPolarHBondContact CG2-O 3.28Å; I73-V107 HydrophobicContact CB-CG2 4.45Å; I73-V107 HydrophobicContact CG1-CG2 3.82Å; I73-A115 HydrophobicContact CD1-CB 3.88Å; I73-A115 HydrophobicContact CG1-CB 4.07Å; I73-A115 HydrophobicContact CG2-CB 3.81Å; I73-A117 HydrophobicContact CD1-CB 4.22Å; I73-A117 HydrophobicContact CG1-CB 4.38Å; I73-K137 HydrophobicContact CD1-CB 4.41Å; I73-K137 HydrophobicContact CD1-CD 3.86Å; I73-K137 HydrophobicContact CD1-CG 3.97Å; I73-L139 HydrophobicContact CG2-CD2 4Å
74	M	93.6	Very high	95.4	Very high	40 Å²	40	34.2 Å²	34.2	20%	0.197	20%	0.197	C	C	.	.	H	α-helix	trans	-65.1	-31.6	172.4	-73.4	-179.2	68.5	0	0	111.6	I12 T70 T71 T76 G79 P81	I12-M74 HydrophobicContact CG2-CE 4.48Å; T70-M74 HydrophobicContact CG2-CG 4.46Å; T70-M74 HydrophobicContact CG2-SD 4.3Å; T70-M74 WeakPolarHBondContact O-CG 3.35Å; T70-M74 PolarHBondContact O-N 3.33Å; T71-M74 PolarHBondContact O-N 2.63Å; M74-T76 PolarHBondContact O-N 3.45Å; M74-G79 WeakPolarHBondContact O-CA 3.34Å; M74-P81 HydrophobicContact CG-CB 3.61Å; M74-P81 HydrophobicContact CG-CG 4.43Å; M74-P81 HydrophobicContact SD-CB 3.77Å; M74-P81 HydrophobicContact SD-CG 4.5Å
75	Y	93.6	Very high	95.4	Very high	24 Å²	24	38.5 Å²	38.5	9%	0.094	22%	0.223	C	C	.	.	S	Bend	trans	-83	48.9	178.8	-156.2	-123	0	0	0	111.8	L4 L9 A34 S35 P36 G37 T71 A72 I73	L4-Y75 HydrophobicContact CB-CD2 3.68Å; L4-Y75 HydrophobicContact CB-CE2 3.36Å; L4-Y75 HydrophobicContact CD1-CD2 4.28Å; L4-Y75 WeakPolarHBondContact O-CE2 3.31Å; L4-Y75 PolarHBondContact O-OH 3.1Å; L9-Y75 HydrophobicContact CB-CE2 4.45Å; L9-Y75 HydrophobicContact CD1-CD2 3.95Å; L9-Y75 HydrophobicContact CD1-CG 4.35Å; L9-Y75 HydrophobicContact CD2-CD1 4.27Å; L9-Y75 HydrophobicContact CD2-CD2 4.01Å; L9-Y75 HydrophobicContact CD2-CE2 4.34Å; L9-Y75 HydrophobicContact CD2-CG 3.99Å; L9-Y75 HydrophobicContact CG-CD2 4.4Å; A34-Y75 HydrophobicContact CB-CD1 4.08Å; A34-Y75 HydrophobicContact CB-CE1 3.78Å; S35-Y75 VanDerWaalsContact C-CD1 3.45Å; S35-Y75 VanDerWaalsContact O-CD1 3.27Å; S35-Y75 WeakPolarHBondContact O-CD1 3.41Å; P36-Y75 CarbonylContact C-O 3.57Å; P36-Y75 WeakPolarHBondContact CA-O 3.31Å; G37-Y75 PolarHBondContact N-O 3.02Å; T71-Y75 WeakPolarHBondContact O-CB 3.48Å; T71-Y75 PolarHBondContact O-N 2.91Å; A72-Y75 CarbonylContact O-C 3.6Å; A72-Y75 PolarHBondContact O-N 2.98Å; I73-Y75 PolarHBondContact O-N 3.3Å
76	T	92.3	Very high	95.4	Very high	26 Å²	26	42.6 Å²	42.6	16%	0.16	24%	0.244	C	C	.	.	S	Bend	trans	-130.7	174.3	170.4	73.3	0	0	0	0	109.6	I73 M74 R78 G79 V107 Q110	I73-T76 WeakPolarHBondContact O-CG2 3.39Å; I73-T76 PolarHBondContact O-OG1 3.09Å; M74-T76 PolarHBondContact O-N 3.45Å; T76-R78 PolarHBondContact O-N 2.81Å; T76-G79 PolarHBondContact O-N 2.6Å; T76-G79 VanDerWaalsContact O-N 3.08Å; T76-V107 HydrophobicContact CG2-CG2 4.34Å; T76-Q110 VanDerWaalsContact CB-OE1 3.3Å; T76-Q110 PolarHBondContact OG1-NE2 3.3Å; T76-Q110 PolarHBondContact OG1-OE1 3.02Å
77	E	89.1	Confident	95.4	Very high	171 Å²	171	43.8 Å²	43.8	80%	0.799	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-34	179.3	-65.1	-173.8	166.3	0	0	113.4	G79	E77-G79 VanDerWaalsContact C-N 3.35Å
78	R	90.1	Very high	95.4	Very high	94 Å²	94	47 Å²	47	36%	0.355	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-28.7	-179.9	-173.8	175	176.3	165.7	2.5	112.8	T76 A80 G111 R112 L139 G140	T76-R78 PolarHBondContact O-N 2.81Å; R78-A80 HydrophobicContact CG-CB 3.95Å; R78-A80 PolarHBondContact O-N 2.92Å; R78-A80 VanDerWaalsContact O-N 3.09Å; R78-G111 PolarHBondContact NH1-O 2.75Å; R78-R112 VanDerWaalsContact NH1-C 3.34Å; R78-R112 PolarHBondContact NH1-O 2.96Å; R78-R112 PolarHBondContact NH2-O 2.82Å; R78-L139 VanDerWaalsContact CZ-CB 3.44Å; R78-L139 VanDerWaalsContact NH1-CD1 3.32Å; R78-L139 PolarHBondContact NH2-O 2.76Å; R78-L139 VanDerWaalsContact NH2-O 3.13Å; R78-G140 PolarHBondContact NH2-O 2.88Å
79	G	89.1	Confident	95.4	Very high	35 Å²	35	48.9 Å²	48.9	36%	0.361	28%	0.276	S	S	.	.			trans	65.9	10.8	176.8	0	0	0	0	0	116.1	M74 T76 E77	M74-G79 WeakPolarHBondContact O-CA 3.34Å; T76-G79 PolarHBondContact O-N 2.6Å; T76-G79 VanDerWaalsContact O-N 3.08Å; E77-G79 VanDerWaalsContact C-N 3.35Å
80	A	91.2	Very high	95.5	Very high	20 Å²	20	53 Å²	53	17%	0.165	30%	0.302	C	S	.	.			trans	-96.7	121.2	-171.2	0	0	0	0	0	111.7	I73 R78 G82 L139	I73-A80 WeakPolarHBondContact CG2-O 3.28Å; R78-A80 HydrophobicContact CG-CB 3.95Å; R78-A80 PolarHBondContact O-N 2.92Å; R78-A80 VanDerWaalsContact O-N 3.09Å; A80-G82 VanDerWaalsContact C-N 3.31Å; A80-G82 PolarHBondContact O-N 2.98Å; A80-L139 HydrophobicContact CB-CD2 4.42Å
81	P	92.9	Very high	95.5	Very high	60 Å²	60	58.1 Å²	58.1	39%	0.39	32%	0.32	S	S	.	.			trans	-68.3	-29.8	-179	24.6	-32.7	0	0	0	113.8	T70 M74 K137	T70-P81 HydrophobicContact CG2-CB 3.87Å; M74-P81 HydrophobicContact CG-CB 3.61Å; M74-P81 HydrophobicContact CG-CG 4.43Å; M74-P81 HydrophobicContact SD-CB 3.77Å; M74-P81 HydrophobicContact SD-CG 4.5Å; P81-K137 WeakPolarHBondContact O-CD 3.04Å; P81-K137 WeakPolarHBondContact O-CE 3.48Å; P81-K137 PolarHBondContact O-NZ 2.89Å; P81-K137 VanDerWaalsContact O-NZ 3.09Å
82	G	96	Very high	95.6	Very high	17 Å²	17	61.8 Å²	61.8	18%	0.175	34%	0.338	C	S	.	.			trans	60.7	176.4	-172	0	0	0	0	0	114.6	A80 K137 H138	A80-G82 VanDerWaalsContact C-N 3.31Å; A80-G82 PolarHBondContact O-N 2.98Å; G82-K137 WeakPolarHBondContact O-CE 3.36Å; G82-K137 PolarHBondContact O-NZ 3.17Å; G82-H138 CarbonylContact C-O 3.55Å; G82-H138 WeakPolarHBondContact CA-O 3.4Å
83	V	98	Very high	95.7	Very high	97 Å²	97	65.7 Å²	65.7	59%	0.588	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	143.9	174.5	-63.5	0	0	0	0	110	K137 H138	V83-K137 CarbonylContact O-C 3.59Å; V83-K137 WeakPolarHBondContact O-CA 3.42Å; V83-K137 WeakPolarHBondContact O-CB 3.34Å; V83-H138 HydrophobicContact CG2-CB 4.01Å; V83-H138 PolarHBondContact N-O 3.18Å; V83-H138 PolarHBondContact O-N 2.98Å
84	S	98.7	Very high	95.8	Very high	66 Å²	66	68.9 Å²	68.9	46%	0.462	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	134.2	-174.2	-47.9	0	0	0	0	111.3	D66 H135 K137	D66-S84 PolarHBondContact OD1-OG 2.86Å; S84-H135 WeakPolarHBondContact CB-NE2 3.17Å; S84-H135 PolarHBondContact OG-CE1 3.49Å; S84-H135 PolarHBondContact OG-NE2 3.2Å; S84-K137 WeakPolarHBondContact OG-CE 3.49Å
85	V	98.7	Very high	96.1	Very high	90 Å²	90	67 Å²	67	55%	0.545	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	-47.2	178.8	174.8	0	0	0	0	110.6	L114 T136 H138	V85-L114 HydrophobicContact CG2-CD2 4.32Å; V85-T136 HydrophobicContact CB-CG2 4.26Å; V85-T136 PolarHBondContact N-O 2.89Å; V85-H138 HydrophobicContact CG2-CB 3.62Å
86	D	98.9	Very high	96.3	Very high	85 Å²	85	72.2 Å²	72.2	46%	0.455	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	139.6	179.1	177.2	-104.6	0	0	0	109.5	N88 H135 T136	D86-N88 PolarHBondContact OD1-ND2 3.2Å; D86-H135 PolarHBondContact O-CD2 3.32Å; D86-T136 PolarHBondContact N-O 3.42Å; D86-T136 PolarHBondContact O-N 3.13Å
87	M	98.9	Very high	96.6	Very high	72 Å²	72	76.5 Å²	76.5	36%	0.355	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	127.5	171.9	-172.1	166.4	61.9	0	0	109.8	A62 V65 D66 I89 R134 H135	A62-M87 HydrophobicContact CB-CE 4.18Å; V65-M87 HydrophobicContact CB-SD 4.02Å; V65-M87 HydrophobicContact CG1-CG 4.07Å; V65-M87 HydrophobicContact CG1-SD 3.62Å; D66-M87 HydrophobicContact CB-CE 4.2Å; D66-M87 HydrophobicContact CB-SD 3.99Å; M87-I89 HydrophobicContact CG-CG1 4.41Å; M87-R134 WeakPolarHBondContact CA-O 3.22Å; M87-H135 HydrophobicContact CG-CB 4.44Å
88	N	98.9	Very high	97	Very high	73 Å²	73	70.4 Å²	70.4	39%	0.39	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147	174.4	57.4	78.3	0	0	0	110.1	D86 G133 R134	D86-N88 PolarHBondContact OD1-ND2 3.2Å; N88-G133 CarbonylContact O-C 3.54Å; N88-G133 WeakPolarHBondContact O-CA 3.34Å; N88-R134 PolarHBondContact N-O 3.33Å; N88-R134 PolarHBondContact O-N 3.41Å
89	I	98.9	Very high	97.4	Very high	38 Å²	38	69 Å²	69	20%	0.195	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	129.3	-175.4	-53.2	169.1	0	0	0	109	T61 A62 V65 M87 Y91 A131 Q132	T61-I89 HydrophobicContact CG2-CG2 4.34Å; A62-I89 HydrophobicContact CB-CD1 3.41Å; A62-I89 VanDerWaalsContact CB-CD1 3.41Å; V65-I89 HydrophobicContact CB-CD1 4.37Å; V65-I89 HydrophobicContact CG2-CD1 4.18Å; V65-I89 HydrophobicContact CG2-CG1 4.3Å; M87-I89 HydrophobicContact CG-CG1 4.41Å; I89-Y91 HydrophobicContact CB-CE2 4.05Å; I89-Y91 HydrophobicContact CG2-CD1 4.45Å; I89-Y91 HydrophobicContact CG2-CD2 4.25Å; I89-Y91 HydrophobicContact CG2-CE1 3.98Å; I89-Y91 HydrophobicContact CG2-CE2 3.73Å; I89-A131 HydrophobicContact CG2-CB 4.24Å; I89-Q132 CarbonylContact C-O 3.59Å; I89-Q132 WeakPolarHBondContact CA-O 3.38Å
90	T	98.9	Very high	97.9	Very high	88 Å²	88	70.4 Å²	70.4	54%	0.54	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	127.1	170.4	-58.9	0	0	0	0	109	M92 A131 Q132	T90-M92 HydrophobicContact CG2-CG 4.21Å; T90-A131 CarbonylContact O-C 3.52Å; T90-A131 WeakPolarHBondContact O-CA 3.34Å; T90-A131 WeakPolarHBondContact O-CB 3.14Å; T90-Q132 PolarHBondContact N-O 2.96Å; T90-Q132 PolarHBondContact O-N 3Å
91	Y	98.8	Very high	98.3	Very high	120 Å²	120	69.4 Å²	69.4	47%	0.471	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.8	178.1	-58	-92.6	0	0	0	109.3	G58 T61 I89 A131	G58-Y91 PolarHBondContact O-OH 3.46Å; T61-Y91 HydrophobicContact CG2-CD1 4.37Å; T61-Y91 HydrophobicContact CG2-CE1 3.66Å; I89-Y91 HydrophobicContact CB-CE2 4.05Å; I89-Y91 HydrophobicContact CG2-CD1 4.45Å; I89-Y91 HydrophobicContact CG2-CD2 4.25Å; I89-Y91 HydrophobicContact CG2-CE1 3.98Å; I89-Y91 HydrophobicContact CG2-CE2 3.73Å; Y91-A131 HydrophobicContact CD1-CB 4.11Å
92	M	98.6	Very high	98.5	Very high	81 Å²	81	68.6 Å²	68.6	40%	0.399	38%	0.382	S	S	.	.			trans	-115.7	-38.1	-172	-72.9	161.3	-80	0	0	112.8	T90 L129 I130 Q132	T90-M92 HydrophobicContact CG2-CG 4.21Å; M92-L129 HydrophobicContact CE-CB 4.36Å; M92-L129 HydrophobicContact CE-CD2 3.38Å; M92-L129 HydrophobicContact CE-CG 3.46Å; M92-L129 VanDerWaalsContact CE-CG 3.46Å; M92-L129 HydrophobicContact SD-CB 4.46Å; M92-L129 HydrophobicContact SD-CD2 3.58Å; M92-L129 VanDerWaalsContact SD-CD2 3.58Å; M92-L129 HydrophobicContact SD-CG 4.03Å; M92-I130 PolarHBondContact N-O 3.08Å; M92-Q132 HydrophobicContact CE-CB 3.76Å
93	N	98.7	Very high	98.7	Very high	83 Å²	83	67.8 Å²	67.8	44%	0.444	37%	0.374	S	S	.	.	S	Bend	trans	-138	150.7	178.7	-67.5	-84.3	0	0	0	110.1	L129 I130	N93-L129 PolarHBondContact ND2-O 2.87Å; N93-I130 PolarHBondContact N-O 3.18Å; N93-I130 WeakPolarHBondContact O-CG2 3.35Å
94	A	98.4	Very high	98.7	Very high	67 Å²	67	64.8 Å²	64.8	55%	0.554	36%	0.356	S	S	*	.			trans	-79	145	171	0	0	0	0	0	110.6	T55	T55-A94 HydrophobicContact CG2-CB 3.85Å
95	A	98.7	Very high	98.7	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.008	33%	0.334	C	S	.	.			trans	-108	122	164.9	0	0	0	0	0	108.8	V45 T55 L56 E99 V101 I130	V45-A95 HydrophobicContact CG2-CB 4.19Å; T55-A95 CarbonylContact C-O 3.56Å; T55-A95 VanDerWaalsContact CA-O 3.29Å; T55-A95 WeakPolarHBondContact CA-O 3.23Å; L56-A95 HydrophobicContact CB-CB 4.01Å; L56-A95 HydrophobicContact CD2-CB 4.39Å; L56-A95 PolarHBondContact N-O 2.91Å; A95-E99 WeakPolarHBondContact CA-OE2 3.25Å; A95-V101 HydrophobicContact CB-CG2 3.98Å; A95-I130 HydrophobicContact CB-CD1 3.77Å; A95-I130 HydrophobicContact CB-CG1 4.18Å; A95-I130 HydrophobicContact CB-CG2 4.19Å
96	K	98.4	Very high	98.7	Very high	133 Å²	133	59.4 Å²	59.4	58%	0.578	32%	0.321	S	S	*	.	B	Isolated β-bridge	trans	-85.1	156.4	-177	-62.1	179.8	-179.5	-180	0	111.2	G98 E99	K96-G98 PolarHBondContact O-N 2.81Å; K96-E99 HydrophobicContact CB-CG 4.24Å; K96-E99 WeakPolarHBondContact CB-OE1 3.49Å; K96-E99 VanDerWaalsContact N-CD 3.29Å; K96-E99 PolarHBondContact N-OE2 3.44Å; K96-E99 VanDerWaalsContact O-CB 3.28Å; K96-E99 WeakPolarHBondContact O-CB 3.34Å; K96-E99 WeakPolarHBondContact O-CG 3.39Å; K96-E99 PolarHBondContact O-N 3.33Å; K96-E99 VanDerWaalsContact O-N 3.08Å
97	M	98.4	Very high	98.7	Very high	116 Å²	116	56.7 Å²	56.7	57%	0.571	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	136.1	169	-172.6	173.3	62.9	0	0	111.1	E47 T50 G54 E99	E47-M97 HydrophobicContact CB-SD 4.16Å; T50-M97 HydrophobicContact CG2-CB 4.19Å; G54-M97 PolarHBondContact O-N 3.28Å; M97-E99 VanDerWaalsContact C-N 3.34Å
98	G	98.4	Very high	98.7	Very high	42 Å²	42	57.2 Å²	57.2	43%	0.433	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.3	-19.1	-175.8	0	0	0	0	0	114.8	K44 V45 K96	K44-G98 PolarHBondContact NZ-O 2.97Å; V45-G98 PolarHBondContact O-N 2.83Å; K96-G98 PolarHBondContact O-N 2.81Å
99	E	98.6	Very high	98.7	Very high	65 Å²	65	60.3 Å²	60.3	30%	0.304	32%	0.321	S	S	.	.			trans	-71.8	140.6	177.3	-65.9	-180	-170.4	0	0	111.6	V45 A95 K96 M97	V45-E99 PolarHBondContact N-O 3.31Å; A95-E99 WeakPolarHBondContact CA-OE2 3.25Å; K96-E99 HydrophobicContact CB-CG 4.24Å; K96-E99 WeakPolarHBondContact CB-OE1 3.49Å; K96-E99 VanDerWaalsContact N-CD 3.29Å; K96-E99 PolarHBondContact N-OE2 3.44Å; K96-E99 VanDerWaalsContact O-CB 3.28Å; K96-E99 WeakPolarHBondContact O-CB 3.34Å; K96-E99 WeakPolarHBondContact O-CG 3.39Å; K96-E99 PolarHBondContact O-N 3.33Å; K96-E99 VanDerWaalsContact O-N 3.08Å; M97-E99 VanDerWaalsContact C-N 3.34Å
100	D	98.8	Very high	98.5	Very high	64 Å²	64	61.6 Å²	61.6	34%	0.342	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	129	171.7	-65.1	-72.2	0	0	0	109.8	K44 K124	K44-D100 VanDerWaalsContact CE-OD1 3.31Å; K44-D100 WeakPolarHBondContact CE-OD1 3.49Å; K44-D100 VanDerWaalsContact NZ-CG 3.3Å; K44-D100 IonicContact NZ-OD1 2.82Å; K44-D100 PolarHBondContact NZ-OD1 3.44Å; K44-D100 VanDerWaalsContact NZ-OD1 3.11Å; K44-D100 IonicContact NZ-OD2 3.1Å; K44-D100 PolarHBondContact NZ-OD2 2.92Å; D100-K124 HydrophobicContact CB-CB 3.93Å; D100-K124 HydrophobicContact CB-CD 3.99Å; D100-K124 VanDerWaalsContact O-CB 3.25Å; D100-K124 WeakPolarHBondContact O-CB 3.3Å; D100-K124 PolarHBondContact O-N 2.79Å
101	V	98.9	Very high	98.4	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.7	-176.7	176.5	0	0	0	0	109.6	E42 F43 V45 A95 I103 L121 T122 I130	E42-V101 VanDerWaalsContact CA-O 3.23Å; E42-V101 WeakPolarHBondContact CA-O 3.13Å; F43-V101 HydrophobicContact CD1-CB 3.99Å; F43-V101 HydrophobicContact CD1-CG1 4.45Å; F43-V101 HydrophobicContact CE1-CB 3.61Å; F43-V101 HydrophobicContact CE1-CG1 3.81Å; F43-V101 HydrophobicContact CE1-CG2 4.24Å; F43-V101 HydrophobicContact CZ-CB 4.34Å; F43-V101 PolarHBondContact N-O 3.4Å; F43-V101 VanDerWaalsContact N-O 3.13Å; F43-V101 PolarHBondContact O-N 2.87Å; V45-V101 HydrophobicContact CG2-CG2 3.8Å; A95-V101 HydrophobicContact CB-CG2 3.98Å; V101-I103 HydrophobicContact CG1-CD1 4.46Å; V101-I103 HydrophobicContact CG1-CG1 4.42Å; V101-L121 HydrophobicContact CG1-CB 4.26Å; V101-L121 HydrophobicContact CG1-CD2 4.4Å; V101-T122 WeakPolarHBondContact CA-O 3.36Å; V101-I130 HydrophobicContact CB-CD1 4.31Å; V101-I130 HydrophobicContact CG1-CD1 3.79Å; V101-I130 HydrophobicContact CG2-CD1 3.7Å
102	L	98.8	Very high	98.2	Very high	42 Å²	42	62.8 Å²	62.8	22%	0.22	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	135.6	168	-65	178.4	0	0	0	109.5	C41 E42 L121 T122 K124	C41-L102 WeakPolarHBondContact O-CA 3.43Å; E42-L102 HydrophobicContact CB-CD2 3.77Å; L102-L121 CarbonylContact O-C 3.42Å; L102-L121 VanDerWaalsContact O-CA 3.31Å; L102-L121 WeakPolarHBondContact O-CA 3.36Å; L102-T122 PolarHBondContact N-O 2.98Å; L102-T122 PolarHBondContact O-N 3.41Å; L102-K124 HydrophobicContact CD1-CB 4.44Å; L102-K124 HydrophobicContact CD1-CG 4.16Å; L102-K124 HydrophobicContact CD2-CD 4.05Å; L102-K124 HydrophobicContact CD2-CG 4.17Å; L102-K124 HydrophobicContact CG-CB 3.99Å; L102-K124 HydrophobicContact CG-CD 4.37Å; L102-K124 HydrophobicContact CG-CG 3.97Å
103	I	98.9	Very high	98.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	116.7	172	-49.1	93.2	0	0	0	108.8	V40 C41 F43 L64 I68 V101 V119 D120 L121	V40-I103 CarbonylContact C-O 3.56Å; V40-I103 WeakPolarHBondContact CA-O 3.32Å; C41-I103 HydrophobicContact CB-CD1 4.31Å; C41-I103 PolarHBondContact N-O 3Å; C41-I103 PolarHBondContact O-N 3.2Å; F43-I103 HydrophobicContact CD1-CD1 3.56Å; F43-I103 HydrophobicContact CE1-CD1 3.8Å; L64-I103 HydrophobicContact CD1-CG1 4.45Å; L64-I103 HydrophobicContact CD2-CD1 4.2Å; L64-I103 HydrophobicContact CD2-CG1 4.38Å; I68-I103 HydrophobicContact CB-CG2 4.38Å; I68-I103 HydrophobicContact CD1-CB 3.68Å; I68-I103 HydrophobicContact CD1-CD1 4.11Å; I68-I103 HydrophobicContact CD1-CG1 4.02Å; I68-I103 HydrophobicContact CD1-CG2 3.64Å; I68-I103 HydrophobicContact CG2-CG2 4.32Å; V101-I103 HydrophobicContact CG1-CD1 4.46Å; V101-I103 HydrophobicContact CG1-CG1 4.42Å; I103-V119 HydrophobicContact CG2-CG1 3.29Å; I103-D120 CarbonylContact C-O 3.48Å; I103-D120 WeakPolarHBondContact CA-O 3.19Å; I103-L121 HydrophobicContact CG1-CD2 4.25Å; I103-L121 HydrophobicContact CG1-CG 3.93Å; I103-L121 HydrophobicContact CG2-CD1 4.2Å; I103-L121 HydrophobicContact CG2-CG 4.17Å
104	T	98.9	Very high	98.1	Very high	34 Å²	34	60.1 Å²	60.1	21%	0.209	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	107.9	179.4	-60.6	0	0	0	0	110.1	V40 V119 D120	V40-T104 HydrophobicContact CG2-CG2 4.14Å; T104-V119 VanDerWaalsContact O-CA 3.3Å; T104-V119 WeakPolarHBondContact O-CA 3.2Å; T104-D120 PolarHBondContact N-O 3.01Å; T104-D120 PolarHBondContact O-N 2.78Å
105	A	98.9	Very high	98.1	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	133.8	171.8	0	0	0	0	0	111.1	K38 V39 I68 A72 T118 V119	K38-A105 VanDerWaalsContact CA-O 3.28Å; K38-A105 WeakPolarHBondContact CA-O 3.48Å; K38-A105 WeakPolarHBondContact CG-O 3.45Å; V39-A105 PolarHBondContact N-O 2.84Å; V39-A105 PolarHBondContact O-N 3.24Å; I68-A105 HydrophobicContact CB-CB 4.43Å; I68-A105 HydrophobicContact CG2-CB 3.71Å; I68-A105 WeakPolarHBondContact O-CB 3.43Å; A72-A105 HydrophobicContact CB-CB 3.93Å; A105-T118 CarbonylContact C-O 3.44Å; A105-T118 WeakPolarHBondContact CA-O 3.47Å; A105-V119 HydrophobicContact CB-CG1 4.49Å; A105-V119 HydrophobicContact CB-CG2 3.88Å
106	T	98.8	Very high	98.1	Very high	44 Å²	44	59.6 Å²	59.6	27%	0.27	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	125	177	-55.3	0	0	0	0	110.3	G37 L108 A117 T118	G37-T106 CarbonylContact O-C 3.57Å; G37-T106 WeakPolarHBondContact O-CA 3.45Å; T106-L108 PolarHBondContact O-N 2.81Å; T106-A117 CarbonylContact O-C 3.54Å; T106-A117 VanDerWaalsContact O-CA 3.25Å; T106-A117 WeakPolarHBondContact O-CA 3.28Å; T106-T118 PolarHBondContact N-O 3.42Å; T106-T118 PolarHBondContact O-N 3.09Å
107	V	98.7	Very high	98.2	Very high	27 Å²	27	53.2 Å²	53.2	16%	0.164	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	120.5	171.2	178.9	0	0	0	0	108.4	G37 A72 I73 T76 Q110 F116	G37-V107 WeakPolarHBondContact O-CG2 3.37Å; G37-V107 PolarHBondContact O-N 2.87Å; A72-V107 HydrophobicContact CB-CG2 4.14Å; I73-V107 HydrophobicContact CB-CG2 4.45Å; I73-V107 HydrophobicContact CG1-CG2 3.82Å; T76-V107 HydrophobicContact CG2-CG2 4.34Å; V107-Q110 HydrophobicContact CG1-CB 4.42Å; V107-F116 CarbonylContact C-O 3.57Å
108	L	98.6	Very high	98.2	Very high	83 Å²	83	48.7 Å²	48.7	44%	0.435	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-38.7	179.1	-58.9	177.9	0	0	0	111.6	T106 F116 T118	T106-L108 PolarHBondContact O-N 2.81Å; L108-F116 HydrophobicContact CB-CB 4.3Å; L108-F116 PolarHBondContact N-O 2.75Å; L108-T118 HydrophobicContact CD2-CG2 3.81Å; L108-T118 HydrophobicContact CG-CG2 4.36Å
109	K	97.9	Very high	98.2	Very high	139 Å²	139	46.7 Å²	46.7	60%	0.604	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-160	136.4	-179.5	178.9	172.4	-177.3	171.2	0	109.9	A115 F116	K109-A115 WeakPolarHBondContact O-CA 3.5Å; K109-F116 HydrophobicContact CB-CD2 3.99Å; K109-F116 HydrophobicContact CG-CD2 4.35Å; K109-F116 PolarHBondContact N-O 3.33Å; K109-F116 PolarHBondContact O-N 2.98Å
110	Q	96.4	Very high	98.2	Very high	64 Å²	64	45.9 Å²	45.9	30%	0.299	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	108.5	168.8	-163.1	172.8	41.7	0	0	108.8	T76 V107 A115 L139	T76-Q110 VanDerWaalsContact CB-OE1 3.3Å; T76-Q110 PolarHBondContact OG1-NE2 3.3Å; T76-Q110 PolarHBondContact OG1-OE1 3.02Å; V107-Q110 HydrophobicContact CG1-CB 4.42Å; Q110-A115 HydrophobicContact CG-CB 4.41Å; Q110-L139 HydrophobicContact CG-CD1 3.73Å
111	G	95.6	Very high	98.2	Very high	28 Å²	28	42.9 Å²	42.9	29%	0.289	22%	0.215	S	C	.	.			trans	-98.5	-165.2	178.6	0	0	0	0	0	112.6	R78 L114	R78-G111 PolarHBondContact NH1-O 2.75Å; G111-L114 PolarHBondContact N-O 3.46Å
112	R	95.2	Very high	98.2	Very high	205 Å²	205	44.2 Å²	44.2	77%	0.774	22%	0.223	S	C	*	.	S	Bend	trans	-68.3	-37.8	178.9	-165	176.1	85.9	157.2	4.6	113.3	R78	R78-R112 VanDerWaalsContact NH1-C 3.34Å; R78-R112 PolarHBondContact NH1-O 2.96Å; R78-R112 PolarHBondContact NH2-O 2.82Å
113	T	97.3	Very high	98.2	Very high	52 Å²	52	42.8 Å²	42.8	32%	0.319	22%	0.217	S	C	.	.	S	Bend	trans	-127.4	-10.2	-175.9	54.9	0	0	0	0	113.7	H138 L139	T113-H138 CarbonylContact O-C 3.6Å; T113-H138 WeakPolarHBondContact O-CA 3.38Å; T113-H138 PolarHBondContact O-ND1 3.06Å; T113-L139 PolarHBondContact O-N 3.34Å
114	L	98.3	Very high	98.2	Very high	57 Å²	57	47.4 Å²	47.4	30%	0.298	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.2	-177.6	-67.1	174.1	0	0	0	111.3	V85 G111 F116 T136 K137 H138	V85-L114 HydrophobicContact CG2-CD2 4.32Å; G111-L114 PolarHBondContact N-O 3.46Å; L114-F116 HydrophobicContact CB-CE2 3.8Å; L114-F116 HydrophobicContact CB-CZ 3.94Å; L114-F116 HydrophobicContact CD1-CZ 3.93Å; L114-T136 HydrophobicContact CD2-CG2 4.23Å; L114-K137 CarbonylContact C-O 3.56Å; L114-K137 VanDerWaalsContact CA-O 3.29Å; L114-K137 WeakPolarHBondContact CA-O 3.23Å; L114-H138 HydrophobicContact CD2-CB 4.34Å
115	A	98.6	Very high	98.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146.9	163.5	0	0	0	0	0	110.1	I73 K109 Q110 T136 K137 L139	I73-A115 HydrophobicContact CD1-CB 3.88Å; I73-A115 HydrophobicContact CG1-CB 4.07Å; I73-A115 HydrophobicContact CG2-CB 3.81Å; K109-A115 WeakPolarHBondContact O-CA 3.5Å; Q110-A115 HydrophobicContact CG-CB 4.41Å; A115-T136 WeakPolarHBondContact O-CA 3.25Å; A115-K137 PolarHBondContact N-O 3.06Å; A115-K137 PolarHBondContact O-N 2.86Å; A115-L139 HydrophobicContact CB-CD1 3.94Å; A115-L139 HydrophobicContact CB-CD2 3.8Å; A115-L139 HydrophobicContact CB-CG 4.08Å
116	F	98.8	Very high	98.1	Very high	56 Å²	56	54 Å²	54	25%	0.246	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.1	176.8	-55.2	-92.9	0	0	0	108.3	V107 L108 K109 L114 T136	V107-F116 CarbonylContact C-O 3.57Å; L108-F116 HydrophobicContact CB-CB 4.3Å; L108-F116 PolarHBondContact N-O 2.75Å; K109-F116 HydrophobicContact CB-CD2 3.99Å; K109-F116 HydrophobicContact CG-CD2 4.35Å; K109-F116 PolarHBondContact N-O 3.33Å; K109-F116 PolarHBondContact O-N 2.98Å; L114-F116 HydrophobicContact CB-CE2 3.8Å; L114-F116 HydrophobicContact CB-CZ 3.94Å; L114-F116 HydrophobicContact CD1-CZ 3.93Å; F116-T136 HydrophobicContact CD1-CG2 3.83Å; F116-T136 HydrophobicContact CE1-CG2 3.58Å; F116-T136 HydrophobicContact CZ-CG2 4.29Å
117	A	98.9	Very high	98.1	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154	176	0	0	0	0	0	111	I73 T106 R134 H135	I73-A117 HydrophobicContact CD1-CB 4.22Å; I73-A117 HydrophobicContact CG1-CB 4.38Å; T106-A117 CarbonylContact O-C 3.54Å; T106-A117 VanDerWaalsContact O-CA 3.25Å; T106-A117 WeakPolarHBondContact O-CA 3.28Å; A117-R134 WeakPolarHBondContact O-CA 3.37Å; A117-H135 PolarHBondContact N-O 3.33Å; A117-H135 PolarHBondContact O-N 2.83Å
118	T	98.9	Very high	98.1	Very high	21 Å²	21	59.6 Å²	59.6	13%	0.129	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	149.2	167.3	-164.6	0	0	0	0	109.2	A105 T106 L108 G133	A105-T118 CarbonylContact C-O 3.44Å; A105-T118 WeakPolarHBondContact CA-O 3.47Å; T106-T118 PolarHBondContact N-O 3.42Å; T106-T118 PolarHBondContact O-N 3.09Å; L108-T118 HydrophobicContact CD2-CG2 3.81Å; L108-T118 HydrophobicContact CG-CG2 4.36Å; T118-G133 CarbonylContact C-O 3.57Å; T118-G133 WeakPolarHBondContact CA-O 3.27Å; T118-G133 PolarHBondContact OG1-O 3.48Å
119	V	98.9	Very high	98.1	Very high	0 Å²	0	58 Å²	58	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	121.7	178	-172.4	0	0	0	0	109.4	V65 I103 T104 A105 L121 Q132 G133	V65-V119 HydrophobicContact CB-CB 4.42Å; V65-V119 HydrophobicContact CB-CG2 4.49Å; V65-V119 HydrophobicContact CG1-CB 4.16Å; V65-V119 HydrophobicContact CG1-CG2 4.01Å; V65-V119 HydrophobicContact CG2-CB 4.13Å; V65-V119 HydrophobicContact CG2-CG1 4.27Å; I103-V119 HydrophobicContact CG2-CG1 3.29Å; T104-V119 VanDerWaalsContact O-CA 3.3Å; T104-V119 WeakPolarHBondContact O-CA 3.2Å; A105-V119 HydrophobicContact CB-CG1 4.49Å; A105-V119 HydrophobicContact CB-CG2 3.88Å; V119-L121 HydrophobicContact CG1-CD1 4.13Å; V119-Q132 CarbonylContact O-C 3.5Å; V119-Q132 WeakPolarHBondContact O-CA 3.45Å; V119-G133 PolarHBondContact N-O 2.81Å; V119-G133 PolarHBondContact O-N 3.4Å
120	D	98.9	Very high	98.1	Very high	48 Å²	48	51.6 Å²	51.6	26%	0.257	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.6	174.8	-65.7	-12.8	0	0	0	109.3	I103 T104 L129 Q132	I103-D120 CarbonylContact C-O 3.48Å; I103-D120 WeakPolarHBondContact CA-O 3.19Å; T104-D120 PolarHBondContact N-O 3.01Å; T104-D120 PolarHBondContact O-N 2.78Å; D120-L129 HydrophobicContact CB-CD1 3.85Å; D120-Q132 VanDerWaalsContact OD1-CG 3.23Å; D120-Q132 WeakPolarHBondContact OD1-CG 3.38Å; D120-Q132 PolarHBondContact OD1-NE2 3.15Å
121	L	98.9	Very high	98.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123	169	-72.7	80.9	0	0	0	108.2	L56 T61 L64 V65 V101 L102 I103 V119 I130 A131	L56-L121 HydrophobicContact CD2-CD2 4.18Å; T61-L121 HydrophobicContact CG2-CD1 4.2Å; T61-L121 HydrophobicContact CG2-CD2 3.82Å; L64-L121 HydrophobicContact CD1-CD2 3.94Å; V65-L121 HydrophobicContact CG2-CD1 4.05Å; V101-L121 HydrophobicContact CG1-CB 4.26Å; V101-L121 HydrophobicContact CG1-CD2 4.4Å; L102-L121 CarbonylContact O-C 3.42Å; L102-L121 VanDerWaalsContact O-CA 3.31Å; L102-L121 WeakPolarHBondContact O-CA 3.36Å; I103-L121 HydrophobicContact CG1-CD2 4.25Å; I103-L121 HydrophobicContact CG1-CG 3.93Å; I103-L121 HydrophobicContact CG2-CD1 4.2Å; I103-L121 HydrophobicContact CG2-CG 4.17Å; V119-L121 HydrophobicContact CG1-CD1 4.13Å; L121-I130 HydrophobicContact CB-CB 4.15Å; L121-I130 WeakPolarHBondContact O-CB 3.36Å; L121-I130 PolarHBondContact O-N 3.39Å; L121-A131 HydrophobicContact CB-CB 4.5Å; L121-A131 HydrophobicContact CD1-CB 4.49Å; L121-A131 PolarHBondContact N-O 3.35Å; L121-A131 PolarHBondContact O-N 2.62Å
122	T	98.9	Very high	98.4	Very high	28 Å²	28	51.1 Å²	51.1	17%	0.172	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	147.3	-178.6	58.8	0	0	0	0	111.9	V101 L102 K124 K128 L129 I130	V101-T122 WeakPolarHBondContact CA-O 3.36Å; L102-T122 PolarHBondContact N-O 2.98Å; L102-T122 PolarHBondContact O-N 3.41Å; T122-K124 PolarHBondContact O-N 2.83Å; T122-K128 CarbonylContact C-O 3.45Å; T122-K128 VanDerWaalsContact CA-O 3.28Å; T122-K128 WeakPolarHBondContact CA-O 3.41Å; T122-L129 HydrophobicContact CG2-CD1 3.73Å; T122-I130 VanDerWaalsContact C-CD1 3.48Å
123	S	98.6	Very high	98.6	Very high	13 Å²	13	41.3 Å²	41.3	9%	0.091	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	121.8	169.2	167.5	0	0	0	0	108.9	A125 S126 G127 K128	S123-A125 PolarHBondContact O-N 2.91Å; S123-S126 WeakPolarHBondContact CB-OG 3.48Å; S123-S126 PolarHBondContact O-N 3.4Å; S123-S126 PolarHBondContact OG-N 2.93Å; S123-S126 PolarHBondContact OG-OG 3.04Å; S123-G127 WeakPolarHBondContact O-CA 3.46Å; S123-G127 PolarHBondContact O-N 3.35Å; S123-K128 PolarHBondContact N-O 2.88Å
124	K	98.3	Very high	98.7	Very high	97 Å²	97	44.2 Å²	44.2	42%	0.422	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-34.6	-179.7	-171.5	172	178.5	176.4	0	112.1	E42 D100 L102 T122	E42-K124 IonicContact OE1-NZ 3.14Å; E42-K124 PolarHBondContact OE1-NZ 2.98Å; E42-K124 VanDerWaalsContact OE1-NZ 3.14Å; E42-K124 WeakPolarHBondContact OE2-CE 3.46Å; E42-K124 IonicContact OE2-NZ 2.66Å; E42-K124 PolarHBondContact OE2-NZ 3.31Å; D100-K124 HydrophobicContact CB-CB 3.93Å; D100-K124 HydrophobicContact CB-CD 3.99Å; D100-K124 VanDerWaalsContact O-CB 3.25Å; D100-K124 WeakPolarHBondContact O-CB 3.3Å; D100-K124 PolarHBondContact O-N 2.79Å; L102-K124 HydrophobicContact CD1-CB 4.44Å; L102-K124 HydrophobicContact CD1-CG 4.16Å; L102-K124 HydrophobicContact CD2-CD 4.05Å; L102-K124 HydrophobicContact CD2-CG 4.17Å; L102-K124 HydrophobicContact CG-CB 3.99Å; L102-K124 HydrophobicContact CG-CD 4.37Å; L102-K124 HydrophobicContact CG-CG 3.97Å; T122-K124 PolarHBondContact O-N 2.83Å
125	A	98.1	Very high	98.7	Very high	104 Å²	104	41.5 Å²	41.5	86%	0.86	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77	-37.8	-178.3	0	0	0	0	0	113.6	S123	S123-A125 PolarHBondContact O-N 2.91Å
126	S	97.8	Very high	98.7	Very high	69 Å²	69	42.5 Å²	42.5	48%	0.483	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-12.5	-170.2	66.8	0	0	0	0	114.9	S123 K128	S123-S126 WeakPolarHBondContact CB-OG 3.48Å; S123-S126 PolarHBondContact O-N 3.4Å; S123-S126 PolarHBondContact OG-N 2.93Å; S123-S126 PolarHBondContact OG-OG 3.04Å; S126-K128 PolarHBondContact O-N 2.85Å; S126-K128 WeakPolarHBondContact OG-CG 2.97Å; S126-K128 PolarHBondContact OG-N 2.9Å
127	G	98.1	Very high	98.7	Very high	54 Å²	54	40.3 Å²	40.3	56%	0.557	23%	0.229	S	C	*	.			trans	69.5	0.7	-172.5	0	0	0	0	0	114.5	S123 L129	S123-G127 WeakPolarHBondContact O-CA 3.46Å; S123-G127 PolarHBondContact O-N 3.35Å; G127-L129 PolarHBondContact O-N 3.09Å
128	K	98.4	Very high	98.7	Very high	133 Å²	133	43.9 Å²	43.9	58%	0.578	25%	0.246	S	C	*	.			trans	-64.2	136.1	179.8	-71.3	-177.4	178.3	-177.9	0	111.1	T122 S123 S126 I130	T122-K128 CarbonylContact C-O 3.45Å; T122-K128 VanDerWaalsContact CA-O 3.28Å; T122-K128 WeakPolarHBondContact CA-O 3.41Å; S123-K128 PolarHBondContact N-O 2.88Å; S126-K128 PolarHBondContact O-N 2.85Å; S126-K128 WeakPolarHBondContact OG-CG 2.97Å; S126-K128 PolarHBondContact OG-N 2.9Å; K128-I130 PolarHBondContact O-N 2.82Å
129	L	98.8	Very high	98.6	Very high	49 Å²	49	43.6 Å²	43.6	26%	0.257	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	114.3	179.5	-165.6	62.1	0	0	0	110.4	M92 N93 D120 T122 G127 Q132	M92-L129 HydrophobicContact CE-CB 4.36Å; M92-L129 HydrophobicContact CE-CD2 3.38Å; M92-L129 HydrophobicContact CE-CG 3.46Å; M92-L129 VanDerWaalsContact CE-CG 3.46Å; M92-L129 HydrophobicContact SD-CB 4.46Å; M92-L129 HydrophobicContact SD-CD2 3.58Å; M92-L129 VanDerWaalsContact SD-CD2 3.58Å; M92-L129 HydrophobicContact SD-CG 4.03Å; N93-L129 PolarHBondContact ND2-O 2.87Å; D120-L129 HydrophobicContact CB-CD1 3.85Å; T122-L129 HydrophobicContact CG2-CD1 3.73Å; G127-L129 PolarHBondContact O-N 3.09Å; L129-Q132 HydrophobicContact CD2-CB 4.41Å
130	I	98.9	Very high	98.1	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.031	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-54.2	178.7	-66.2	157.7	0	0	0	108.7	M92 N93 A95 V101 L121 T122 K128	M92-I130 PolarHBondContact N-O 3.08Å; N93-I130 PolarHBondContact N-O 3.18Å; N93-I130 WeakPolarHBondContact O-CG2 3.35Å; A95-I130 HydrophobicContact CB-CD1 3.77Å; A95-I130 HydrophobicContact CB-CG1 4.18Å; A95-I130 HydrophobicContact CB-CG2 4.19Å; V101-I130 HydrophobicContact CB-CD1 4.31Å; V101-I130 HydrophobicContact CG1-CD1 3.79Å; V101-I130 HydrophobicContact CG2-CD1 3.7Å; L121-I130 HydrophobicContact CB-CB 4.15Å; L121-I130 WeakPolarHBondContact O-CB 3.36Å; L121-I130 PolarHBondContact O-N 3.39Å; T122-I130 VanDerWaalsContact C-CD1 3.48Å; K128-I130 PolarHBondContact O-N 2.82Å
131	A	98.9	Very high	96.9	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	156.1	178.4	0	0	0	0	0	110.4	T61 I89 T90 Y91 L121	T61-A131 HydrophobicContact CG2-CB 3.77Å; I89-A131 HydrophobicContact CG2-CB 4.24Å; T90-A131 CarbonylContact O-C 3.52Å; T90-A131 WeakPolarHBondContact O-CA 3.34Å; T90-A131 WeakPolarHBondContact O-CB 3.14Å; Y91-A131 HydrophobicContact CD1-CB 4.11Å; L121-A131 HydrophobicContact CB-CB 4.5Å; L121-A131 HydrophobicContact CD1-CB 4.49Å; L121-A131 PolarHBondContact N-O 3.35Å; L121-A131 PolarHBondContact O-N 2.62Å
132	Q	98.9	Very high	96.8	Very high	81 Å²	81	52.4 Å²	52.4	38%	0.379	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.6	170.2	175.5	166.7	49.9	0	0	108.8	I89 T90 M92 V119 D120 L129	I89-Q132 CarbonylContact C-O 3.59Å; I89-Q132 WeakPolarHBondContact CA-O 3.38Å; T90-Q132 PolarHBondContact N-O 2.96Å; T90-Q132 PolarHBondContact O-N 3Å; M92-Q132 HydrophobicContact CE-CB 3.76Å; V119-Q132 CarbonylContact O-C 3.5Å; V119-Q132 WeakPolarHBondContact O-CA 3.45Å; D120-Q132 VanDerWaalsContact OD1-CG 3.23Å; D120-Q132 WeakPolarHBondContact OD1-CG 3.38Å; D120-Q132 PolarHBondContact OD1-NE2 3.15Å; L129-Q132 HydrophobicContact CD2-CB 4.41Å
133	G	98.9	Very high	96.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151.1	177.3	0	0	0	0	0	112.4	N88 T118 V119	N88-G133 CarbonylContact O-C 3.54Å; N88-G133 WeakPolarHBondContact O-CA 3.34Å; T118-G133 CarbonylContact C-O 3.57Å; T118-G133 WeakPolarHBondContact CA-O 3.27Å; T118-G133 PolarHBondContact OG1-O 3.48Å; V119-G133 PolarHBondContact N-O 2.81Å; V119-G133 PolarHBondContact O-N 3.4Å
134	R	98.9	Very high	96.6	Very high	112 Å²	112	55.9 Å²	55.9	42%	0.423	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	140.9	164.9	-69.2	173.7	60.5	99.4	1.7	109.3	M87 N88 A117	M87-R134 WeakPolarHBondContact CA-O 3.22Å; N88-R134 PolarHBondContact N-O 3.33Å; N88-R134 PolarHBondContact O-N 3.41Å; A117-R134 WeakPolarHBondContact O-CA 3.37Å
135	H	98.9	Very high	96.5	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.6	-177.5	-171.9	-162	0	0	0	110.3	V65 D66 S69 S84 D86 M87 A117 K137	V65-H135 HydrophobicContact CG1-CB 4.46Å; D66-H135 IonicContact OD1-CE1 2.92Å; D66-H135 PolarHBondContact OD1-CE1 2.84Å; D66-H135 IonicContact OD1-ND1 3.71Å; D66-H135 IonicContact OD1-NE2 3.73Å; S69-H135 PolarHBondContact OG-ND1 2.84Å; S84-H135 WeakPolarHBondContact CB-NE2 3.17Å; S84-H135 PolarHBondContact OG-CE1 3.49Å; S84-H135 PolarHBondContact OG-NE2 3.2Å; D86-H135 PolarHBondContact O-CD2 3.32Å; M87-H135 HydrophobicContact CG-CB 4.44Å; A117-H135 PolarHBondContact N-O 3.33Å; A117-H135 PolarHBondContact O-N 2.83Å; H135-K137 WeakPolarHBondContact CE1-CD 3.5Å; H135-K137 VanDerWaalsContact CE1-CE 3.48Å; H135-K137 WeakPolarHBondContact CE1-CE 3.29Å
136	T	98.9	Very high	96.4	Very high	20 Å²	20	50.3 Å²	50.3	12%	0.123	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.9	175.2	-55.2	0	0	0	0	109.1	V85 D86 L114 A115 F116	V85-T136 HydrophobicContact CB-CG2 4.26Å; V85-T136 PolarHBondContact N-O 2.89Å; D86-T136 PolarHBondContact N-O 3.42Å; D86-T136 PolarHBondContact O-N 3.13Å; L114-T136 HydrophobicContact CD2-CG2 4.23Å; A115-T136 WeakPolarHBondContact O-CA 3.25Å; F116-T136 HydrophobicContact CD1-CG2 3.83Å; F116-T136 HydrophobicContact CE1-CG2 3.58Å; F116-T136 HydrophobicContact CZ-CG2 4.29Å
137	K	98.8	Very high	96.3	Very high	11 Å²	11	49.1 Å²	49.1	5%	0.048	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.7	179.5	-53.4	-159.5	82.6	-175.3	0	112.1	T70 I73 P81 G82 V83 S84 L114 A115 H135	T70-K137 PolarHBondContact OG1-NZ 2.85Å; I73-K137 HydrophobicContact CD1-CB 4.41Å; I73-K137 HydrophobicContact CD1-CD 3.86Å; I73-K137 HydrophobicContact CD1-CG 3.97Å; P81-K137 WeakPolarHBondContact O-CD 3.04Å; P81-K137 WeakPolarHBondContact O-CE 3.48Å; P81-K137 PolarHBondContact O-NZ 2.89Å; P81-K137 VanDerWaalsContact O-NZ 3.09Å; G82-K137 WeakPolarHBondContact O-CE 3.36Å; G82-K137 PolarHBondContact O-NZ 3.17Å; V83-K137 CarbonylContact O-C 3.59Å; V83-K137 WeakPolarHBondContact O-CA 3.42Å; V83-K137 WeakPolarHBondContact O-CB 3.34Å; S84-K137 WeakPolarHBondContact OG-CE 3.49Å; L114-K137 CarbonylContact C-O 3.56Å; L114-K137 VanDerWaalsContact CA-O 3.29Å; L114-K137 WeakPolarHBondContact CA-O 3.23Å; A115-K137 PolarHBondContact N-O 3.06Å; A115-K137 PolarHBondContact O-N 2.86Å; H135-K137 WeakPolarHBondContact CE1-CD 3.5Å; H135-K137 VanDerWaalsContact CE1-CE 3.48Å; H135-K137 WeakPolarHBondContact CE1-CE 3.29Å
138	H	98.3	Very high	96.1	Very high	75 Å²	75	48.7 Å²	48.7	35%	0.347	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125.5	171.1	-175.3	71.5	0	0	0	110.4	G82 V83 V85 T113 L114 G140	G82-H138 CarbonylContact C-O 3.55Å; G82-H138 WeakPolarHBondContact CA-O 3.4Å; V83-H138 HydrophobicContact CG2-CB 4.01Å; V83-H138 PolarHBondContact N-O 3.18Å; V83-H138 PolarHBondContact O-N 2.98Å; V85-H138 HydrophobicContact CG2-CB 3.62Å; T113-H138 CarbonylContact O-C 3.6Å; T113-H138 WeakPolarHBondContact O-CA 3.38Å; T113-H138 PolarHBondContact O-ND1 3.06Å; L114-H138 HydrophobicContact CD2-CB 4.34Å; H138-G140 PolarHBondContact CD2-N 2.69Å; H138-G140 WeakPolarHBondContact NE2-CA 3.39Å; H138-G140 PolarHBondContact NE2-N 2.82Å
139	L	96.7	Very high	96	Very high	15 Å²	15	42.2 Å²	42.2	8%	0.079	23%	0.233	C	C	.	.			trans	-94.9	4	-171.7	-58.4	175.8	0	0	0	113.9	I73 R78 A80 Q110 T113 A115	I73-L139 HydrophobicContact CG2-CD2 4Å; R78-L139 VanDerWaalsContact CZ-CB 3.44Å; R78-L139 VanDerWaalsContact NH1-CD1 3.32Å; R78-L139 PolarHBondContact NH2-O 2.76Å; R78-L139 VanDerWaalsContact NH2-O 3.13Å; A80-L139 HydrophobicContact CB-CD2 4.42Å; Q110-L139 HydrophobicContact CG-CD1 3.73Å; T113-L139 PolarHBondContact O-N 3.34Å; A115-L139 HydrophobicContact CB-CD1 3.94Å; A115-L139 HydrophobicContact CB-CD2 3.8Å; A115-L139 HydrophobicContact CB-CG 4.08Å
140	G	88.7	Confident	95.7	Very high	27 Å²	27	41.7 Å²	41.7	28%	0.278	23%	0.231	S	C	.	.			trans	79.4	169.9	-168.1	0	0	0	0	0	112.7	R78 H138	R78-G140 PolarHBondContact NH2-O 2.88Å; H138-G140 PolarHBondContact CD2-N 2.69Å; H138-G140 WeakPolarHBondContact NE2-CA 3.39Å; H138-G140 PolarHBondContact NE2-N 2.82Å
141	S	73.9	Confident	95.4	Very high	152 Å²	152	44.9 Å²	44.9	100%	1.063	25%	0.249	S	C	*	.			trans	-74	0	176	56	0	0	0	0	112.6

Retrieved 141 of 141 residues in 173.2 ms (Link to these results)

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