A0A096NSZ2_PAPAN Loading...

Fucose mutarotase

Involved in the interconversion between alpha- and beta-L-fucoses. L-Fucose (6-deoxy-L-galactose) exists as alpha-L-fucose (29.5%) and beta-L-fucose (70.5%), the beta-form is metabolized through the salvage pathway. GDP-L-fucose formed either by the de novo or salvage pathways is transported into the endoplasmic reticulum, where it serves as a substrate for N- and O-glycosylations by fucosyltransferases. Fucosylated structures expressed on cell surfaces or secreted in biological fluids are believed to play a critical role in cell-cell adhesion and recognition processes.

AlphaFold DB (A0A2K6KCL3), UniProt , Accession A0A096NSZ2, Species PAPAN (Papio anubis, Olive baboon), Gene FUOM, Length 154 aa.

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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	91.5	Very high	97	Very high	157 Å²	157	78.6 Å²	78.6	77%	0.773	48%	0.478	S	S	*	.				0	157.7	0	-65.5	-160.6	-49.3	0	0	110.3	A9 L11	M1-A9 CarbonylContact C-O 3.49Å; M1-A9 WeakPolarHBondContact CA-O 3.01Å; M1-A9 WeakPolarHBondContact CB-O 3.09Å; M1-A9 VanDerWaalsContact CG-O 3.26Å; M1-A9 WeakPolarHBondContact CG-O 3.26Å; M1-L11 CarbonylContact C-O 3.46Å; M1-L11 WeakPolarHBondContact CA-O 3Å
2	V	96.4	Very high	97.1	Very high	27 Å²	27	73.8 Å²	73.8	16%	0.164	45%	0.45	C	S	.	.			trans	-131.1	162	176.9	-66.1	0	0	0	0	112.5	L4 V7 A9 L11 P13 L16	V2-L4 HydrophobicContact CB-CD1 4.46Å; V2-L4 HydrophobicContact CB-CG 4.47Å; V2-V7 HydrophobicContact CG2-CB 4.49Å; V2-V7 HydrophobicContact CG2-CG1 3.8Å; V2-A9 PolarHBondContact N-O 3.18Å; V2-A9 VanDerWaalsContact N-O 3.14Å; V2-L11 PolarHBondContact N-O 3.14Å; V2-P13 HydrophobicContact CG1-CG 3.9Å; V2-L16 HydrophobicContact CB-CD1 4.27Å; V2-L16 HydrophobicContact CG1-CD1 3.66Å; V2-L16 HydrophobicContact CG2-CD1 3.83Å
3	A	97.8	Very high	97.2	Very high	102 Å²	102	73.5 Å²	73.5	84%	0.843	45%	0.45	S	S	*	.			trans	-120.7	79.2	174.1	0	0	0	0	0	110.3
4	L	98.1	Very high	97.3	Very high	105 Å²	105	76.4 Å²	76.4	55%	0.55	46%	0.456	S	S	.	.			trans	-133.7	143.2	-177.6	-63.9	173.6	0	0	0	110.3	V2 G6 V7 L16	V2-L4 HydrophobicContact CB-CD1 4.46Å; V2-L4 HydrophobicContact CB-CG 4.47Å; L4-G6 PolarHBondContact O-N 3.26Å; L4-V7 HydrophobicContact CB-CB 3.94Å; L4-V7 HydrophobicContact CB-CG2 3.93Å; L4-V7 HydrophobicContact CD1-CG2 4.35Å; L4-V7 PolarHBondContact O-N 3.49Å; L4-L16 HydrophobicContact CD1-CD1 4.45Å
5	K	97.9	Very high	97.4	Very high	214 Å²	214	71.6 Å²	71.6	93%	0.93	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	130.6	177.7	-64.7	179.7	-178.3	177.3	0	109.9	V7	K5-V7 PolarHBondContact O-N 3.47Å
6	G	96.7	Very high	97.5	Very high	81 Å²	81	69.1 Å²	69.1	84%	0.835	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	78	-3.1	177.8	0	0	0	0	0	115.4	L4	L4-G6 PolarHBondContact O-N 3.26Å
7	V	98.3	Very high	97.6	Very high	38 Å²	38	73.4 Å²	73.4	23%	0.23	42%	0.42	C	S	.	.	S	Bend	trans	-105.6	130	178.6	-179.4	0	0	0	0	109.2	V2 L4 K5 A9 L16 L65	V2-V7 HydrophobicContact CG2-CB 4.49Å; V2-V7 HydrophobicContact CG2-CG1 3.8Å; L4-V7 HydrophobicContact CB-CB 3.94Å; L4-V7 HydrophobicContact CB-CG2 3.93Å; L4-V7 HydrophobicContact CD1-CG2 4.35Å; L4-V7 PolarHBondContact O-N 3.49Å; K5-V7 PolarHBondContact O-N 3.47Å; V7-A9 PolarHBondContact O-N 3.31Å; V7-L16 HydrophobicContact CG1-CD1 3.79Å; V7-L16 HydrophobicContact CG1-CD2 3.74Å; V7-L16 HydrophobicContact CG1-CG 4.39Å; V7-L65 HydrophobicContact CG1-CD1 4.18Å
8	P	98.2	Very high	97.6	Very high	20 Å²	20	69.4 Å²	69.4	13%	0.13	40%	0.397	C	S	.	.			trans	-59.6	124.8	177.5	-27.2	38.1	0	0	0	112.1	L10 L11 A61 K64	P8-L10 PolarHBondContact O-N 3.27Å; P8-L10 VanDerWaalsContact O-N 3.12Å; P8-L11 HydrophobicContact CB-CD1 4.34Å; P8-L11 HydrophobicContact CB-CG 4.29Å; P8-L11 HydrophobicContact CG-CD1 4.38Å; P8-L11 PolarHBondContact O-N 3.11Å; P8-L11 VanDerWaalsContact O-N 3.11Å; P8-A61 HydrophobicContact CB-CB 3.69Å; P8-A61 HydrophobicContact CG-CB 4.19Å; P8-K64 HydrophobicContact CG-CB 4.2Å; P8-K64 HydrophobicContact CG-CD 3.73Å
9	A	97.4	Very high	97.7	Very high	56 Å²	56	66.4 Å²	66.4	46%	0.463	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.2	-175.9	0	0	0	0	0	113.5	M1 V2 V7 L11	M1-A9 CarbonylContact C-O 3.49Å; M1-A9 WeakPolarHBondContact CA-O 3.01Å; M1-A9 WeakPolarHBondContact CB-O 3.09Å; M1-A9 VanDerWaalsContact CG-O 3.26Å; M1-A9 WeakPolarHBondContact CG-O 3.26Å; V2-A9 PolarHBondContact N-O 3.18Å; V2-A9 VanDerWaalsContact N-O 3.14Å; V7-A9 PolarHBondContact O-N 3.31Å; A9-L11 PolarHBondContact O-N 3.12Å
10	L	96.5	Very high	97.7	Very high	65 Å²	65	67.2 Å²	67.2	34%	0.34	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-29.1	176.9	-72.7	171.6	0	0	0	113	P8 L53 P57 A61	P8-L10 PolarHBondContact O-N 3.27Å; P8-L10 VanDerWaalsContact O-N 3.12Å; L10-L53 HydrophobicContact CD2-CD1 4.48Å; L10-L53 HydrophobicContact CD2-CD2 3.86Å; L10-P57 HydrophobicContact CD1-CB 4.23Å; L10-A61 HydrophobicContact CB-CB 4.35Å; L10-A61 HydrophobicContact CD1-CB 4.47Å
11	L	98.2	Very high	97.8	Very high	0 Å²	0	70 Å²	70	0%	0	40%	0.398	C	S	.	.	S	Bend	trans	-71.4	134.2	-177.9	-56	178.1	0	0	0	110.3	M1 V2 P8 A9 L15 L16 L19 L58 A61 L62 L65	M1-L11 CarbonylContact C-O 3.46Å; M1-L11 WeakPolarHBondContact CA-O 3Å; V2-L11 PolarHBondContact N-O 3.14Å; P8-L11 HydrophobicContact CB-CD1 4.34Å; P8-L11 HydrophobicContact CB-CG 4.29Å; P8-L11 HydrophobicContact CG-CD1 4.38Å; P8-L11 PolarHBondContact O-N 3.11Å; P8-L11 VanDerWaalsContact O-N 3.11Å; A9-L11 PolarHBondContact O-N 3.12Å; L11-L15 HydrophobicContact CD2-CD2 3.64Å; L11-L15 HydrophobicContact CD2-CG 4.34Å; L11-L16 HydrophobicContact CB-CD2 3.99Å; L11-L16 HydrophobicContact CB-CG 3.99Å; L11-L16 HydrophobicContact CD1-CD2 3.6Å; L11-L16 HydrophobicContact CD1-CG 4.5Å; L11-L16 HydrophobicContact CG-CD2 4.44Å; L11-L19 HydrophobicContact CD1-CD1 4.43Å; L11-L58 HydrophobicContact CD2-CD1 3.95Å; L11-A61 HydrophobicContact CD2-CB 3.91Å; L11-A61 HydrophobicContact CG-CB 4.21Å; L11-L62 HydrophobicContact CD2-CG 4.27Å; L11-L65 HydrophobicContact CD1-CD1 3.52Å
12	S	98.6	Very high	98.1	Very high	20 Å²	20	62.7 Å²	62.7	14%	0.14	36%	0.362	C	S	.	.			trans	-78.6	157.6	171.4	78	0	0	0	0	111.2	E14 L15 L16	S12-E14 WeakPolarHBondContact CB-OE2 3.19Å; S12-E14 PolarHBondContact O-N 3.49Å; S12-E14 PolarHBondContact OG-N 2.91Å; S12-E14 PolarHBondContact OG-OE2 3.29Å; S12-L15 PolarHBondContact O-N 2.95Å; S12-L15 PolarHBondContact OG-N 2.82Å; S12-L15 VanDerWaalsContact OG-N 3.09Å; S12-L16 PolarHBondContact O-N 3.46Å
13	P	98.6	Very high	98.2	Very high	70 Å²	70	63 Å²	63	46%	0.455	37%	0.371	S	S	.	.	H	α-helix	trans	-51.8	-39.6	171.3	-25.1	33.3	0	0	0	112.8	V2 L16 Y17	V2-P13 HydrophobicContact CG1-CG 3.9Å; P13-L16 PolarHBondContact O-N 3.09Å; P13-Y17 WeakPolarHBondContact O-CB 3.47Å; P13-Y17 PolarHBondContact O-N 3.34Å
14	E	98.6	Very high	98.3	Very high	115 Å²	115	63 Å²	63	54%	0.537	35%	0.353	S	S	.	.	H	α-helix	trans	-68.1	-41.9	-179.4	-57.2	73.4	-158.7	0	0	111.6	S12 Y17 A18	S12-E14 WeakPolarHBondContact CB-OE2 3.19Å; S12-E14 PolarHBondContact O-N 3.49Å; S12-E14 PolarHBondContact OG-N 2.91Å; S12-E14 PolarHBondContact OG-OE2 3.29Å; E14-Y17 WeakPolarHBondContact O-CB 3.34Å; E14-Y17 PolarHBondContact O-N 2.97Å; E14-A18 PolarHBondContact O-N 3.01Å
15	L	98.7	Very high	98.3	Very high	4 Å²	4	59.2 Å²	59.2	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-66.7	-42.5	176.4	-177.3	54.5	0	0	0	111.1	L11 S12 Y17 A18 L19 I28 I48 L58 L62 V130	L11-L15 HydrophobicContact CD2-CD2 3.64Å; L11-L15 HydrophobicContact CD2-CG 4.34Å; S12-L15 PolarHBondContact O-N 2.95Å; S12-L15 PolarHBondContact OG-N 2.82Å; S12-L15 VanDerWaalsContact OG-N 3.09Å; L15-Y17 VanDerWaalsContact C-N 3.3Å; L15-Y17 PolarHBondContact O-N 3.48Å; L15-A18 PolarHBondContact O-N 3.43Å; L15-L19 HydrophobicContact CD1-CG 4.44Å; L15-L19 HydrophobicContact CG-CD1 4.4Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 2.98Å; L15-I28 HydrophobicContact CD1-CD1 3.72Å; L15-I48 HydrophobicContact CB-CG2 4.35Å; L15-I48 HydrophobicContact CD1-CD1 4.28Å; L15-L58 HydrophobicContact CD2-CD1 3.82Å; L15-L62 HydrophobicContact CD1-CD2 4.39Å; L15-L62 HydrophobicContact CD2-CD2 4.46Å; L15-V130 HydrophobicContact CD1-CG2 3.73Å
16	L	98.7	Very high	98.3	Very high	32 Å²	32	51.7 Å²	51.7	17%	0.168	31%	0.309	C	S	.	.	H	α-helix	trans	-60.1	-42.3	173.7	-72.4	175.5	0	0	0	112.1	V2 L4 V7 L11 S12 P13 A18 L19 A20 L65	V2-L16 HydrophobicContact CB-CD1 4.27Å; V2-L16 HydrophobicContact CG1-CD1 3.66Å; V2-L16 HydrophobicContact CG2-CD1 3.83Å; L4-L16 HydrophobicContact CD1-CD1 4.45Å; V7-L16 HydrophobicContact CG1-CD1 3.79Å; V7-L16 HydrophobicContact CG1-CD2 3.74Å; V7-L16 HydrophobicContact CG1-CG 4.39Å; L11-L16 HydrophobicContact CB-CD2 3.99Å; L11-L16 HydrophobicContact CB-CG 3.99Å; L11-L16 HydrophobicContact CD1-CD2 3.6Å; L11-L16 HydrophobicContact CD1-CG 4.5Å; L11-L16 HydrophobicContact CG-CD2 4.44Å; S12-L16 PolarHBondContact O-N 3.46Å; P13-L16 PolarHBondContact O-N 3.09Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 2.97Å; L16-L19 PolarHBondContact O-N 3.22Å; L16-A20 WeakPolarHBondContact O-CB 3.14Å; L16-A20 PolarHBondContact O-N 2.97Å; L16-L65 HydrophobicContact CD2-CD1 3.66Å
17	Y	98.7	Very high	98.4	Very high	142 Å²	142	48.8 Å²	48.8	56%	0.557	27%	0.274	S	S	*	.	H	α-helix	trans	-61	-42.1	176.6	179.9	-115.8	0	0	0	111.8	P13 E14 L15 A20 R21	P13-Y17 WeakPolarHBondContact O-CB 3.47Å; P13-Y17 PolarHBondContact O-N 3.34Å; E14-Y17 WeakPolarHBondContact O-CB 3.34Å; E14-Y17 PolarHBondContact O-N 2.97Å; L15-Y17 VanDerWaalsContact C-N 3.3Å; L15-Y17 PolarHBondContact O-N 3.48Å; Y17-A20 PolarHBondContact O-N 3.27Å; Y17-R21 HydrophobicContact CD2-CG 4.44Å; Y17-R21 VanDerWaalsContact CE1-CD 3.42Å; Y17-R21 HydrophobicContact CE2-CG 4.14Å; Y17-R21 WeakPolarHBondContact O-CB 3.49Å; Y17-R21 WeakPolarHBondContact O-CG 3.37Å; Y17-R21 PolarHBondContact O-N 2.93Å; Y17-R21 VanDerWaalsContact O-N 3.08Å; Y17-R21 WeakPolarHBondContact OH-CD 3.44Å
18	A	98.8	Very high	98.5	Very high	1 Å²	1	47 Å²	47	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-49.8	174.5	0	0	0	0	0	111.8	E14 L15 L16 A20 R21 M22 I48 F127 A128	E14-A18 PolarHBondContact O-N 3.01Å; L15-A18 PolarHBondContact O-N 3.43Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 2.97Å; A18-A20 VanDerWaalsContact C-N 3.27Å; A18-A20 PolarHBondContact O-N 3.14Å; A18-R21 PolarHBondContact O-N 2.96Å; A18-M22 VanDerWaalsContact O-CG 3.32Å; A18-M22 WeakPolarHBondContact O-CG 3.29Å; A18-M22 PolarHBondContact O-N 3.34Å; A18-I48 HydrophobicContact CB-CD1 3.63Å; A18-F127 HydrophobicContact CB-CD1 4.4Å; A18-F127 HydrophobicContact CB-CE1 4.04Å; A18-A128 HydrophobicContact CB-CB 4.49Å
19	L	98.7	Very high	98.5	Very high	12 Å²	12	46 Å²	46	6%	0.063	26%	0.257	C	S	.	.	H	α-helix	trans	-58.8	-38.2	178.9	-64.1	170.9	0	0	0	112.7	L11 L15 L16 M22 I28 L62 L66 K145	L11-L19 HydrophobicContact CD1-CD1 4.43Å; L15-L19 HydrophobicContact CD1-CG 4.44Å; L15-L19 HydrophobicContact CG-CD1 4.4Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.4Å; L15-L19 PolarHBondContact O-N 2.98Å; L16-L19 PolarHBondContact O-N 3.22Å; L19-M22 HydrophobicContact CD2-SD 4.21Å; L19-I28 HydrophobicContact CD2-CD1 4.25Å; L19-L62 HydrophobicContact CD1-CD2 3.59Å; L19-L62 HydrophobicContact CD2-CD2 3.39Å; L19-L62 HydrophobicContact CG-CD2 3.99Å; L19-L66 HydrophobicContact CD2-CD1 4.04Å; L19-L66 HydrophobicContact CD2-CD2 4.4Å; L19-K145 PolarHBondContact O-NZ 3.35Å
20	A	98.6	Very high	98.6	Very high	82 Å²	82	43.4 Å²	43.4	68%	0.678	24%	0.235	S	C	*	.	H	α-helix	trans	-69.7	-33.1	177.5	0	0	0	0	0	112.7	L16 Y17 A18	L16-A20 WeakPolarHBondContact O-CB 3.14Å; L16-A20 PolarHBondContact O-N 2.97Å; Y17-A20 PolarHBondContact O-N 3.27Å; A18-A20 VanDerWaalsContact C-N 3.27Å; A18-A20 PolarHBondContact O-N 3.14Å
21	R	98.7	Very high	98.7	Very high	126 Å²	126	40.3 Å²	40.3	48%	0.475	22%	0.219	S	C	.	.	H	α-helix	trans	-82.2	-25.6	179.7	-77.3	-179.1	59.8	-155.5	1.4	114.7	Y17 A18 G23 F127	Y17-R21 HydrophobicContact CD2-CG 4.44Å; Y17-R21 VanDerWaalsContact CE1-CD 3.42Å; Y17-R21 HydrophobicContact CE2-CG 4.14Å; Y17-R21 WeakPolarHBondContact O-CB 3.49Å; Y17-R21 WeakPolarHBondContact O-CG 3.37Å; Y17-R21 PolarHBondContact O-N 2.93Å; Y17-R21 VanDerWaalsContact O-N 3.08Å; Y17-R21 WeakPolarHBondContact OH-CD 3.44Å; A18-R21 PolarHBondContact O-N 2.96Å; R21-G23 PolarHBondContact O-N 3.21Å; R21-F127 HydrophobicContact CB-CE1 4.24Å; R21-F127 HydrophobicContact CB-CE2 4.33Å; R21-F127 HydrophobicContact CB-CZ 3.6Å
22	M	98.8	Very high	98.7	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.025	22%	0.221	C	C	.	.			trans	-59.1	133	176.4	-72.9	168.5	74	0	0	110.8	A18 L19 D26 I28 F127 K145	A18-M22 VanDerWaalsContact O-CG 3.32Å; A18-M22 WeakPolarHBondContact O-CG 3.29Å; A18-M22 PolarHBondContact O-N 3.34Å; L19-M22 HydrophobicContact CD2-SD 4.21Å; M22-D26 WeakPolarHBondContact CA-OD2 3.37Å; M22-D26 HydrophobicContact CB-CB 3.94Å; M22-D26 HydrophobicContact CE-CB 4.04Å; M22-D26 HydrophobicContact CG-CB 4.1Å; M22-I28 HydrophobicContact CE-CB 3.83Å; M22-I28 HydrophobicContact CE-CG2 4.01Å; M22-I28 HydrophobicContact SD-CB 4.07Å; M22-I28 HydrophobicContact SD-CD1 4.45Å; M22-I28 HydrophobicContact SD-CG2 4.43Å; M22-F127 HydrophobicContact CG-CB 3.92Å; M22-F127 HydrophobicContact CG-CD1 3.58Å; M22-F127 HydrophobicContact CG-CD2 4.21Å; M22-F127 HydrophobicContact CG-CE1 4.16Å; M22-F127 HydrophobicContact CG-CG 3.63Å; M22-F127 HydrophobicContact SD-CD1 4.45Å; M22-K145 HydrophobicContact CB-CD 3.6Å; M22-K145 HydrophobicContact CE-CB 4.12Å; M22-K145 WeakPolarHBondContact O-CE 3.38Å; M22-K145 PolarHBondContact O-NZ 3.17Å
23	G	98.4	Very high	98.7	Very high	33 Å²	33	44.9 Å²	44.9	34%	0.34	24%	0.241	S	C	.	.			trans	-87.7	-179	169.5	0	0	0	0	0	112.9	R21 G25 D26 K145	R21-G23 PolarHBondContact O-N 3.21Å; G23-G25 PolarHBondContact O-N 3.33Å; G23-D26 PolarHBondContact N-OD2 2.95Å; G23-D26 PolarHBondContact O-N 2.85Å; G23-K145 WeakPolarHBondContact O-CD 3.45Å
24	H	98.4	Very high	98.7	Very high	103 Å²	103	46.8 Å²	46.8	48%	0.477	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	130.1	169.5	171.3	33.7	0	0	0	109.9	D26 D69 K145 V147	H24-D26 VanDerWaalsContact C-N 3.32Å; H24-D69 IonicContact CE1-OD1 2.94Å; H24-D69 IonicContact CE1-OD2 2.74Å; H24-D69 PolarHBondContact CE1-OD2 2.94Å; H24-D69 VanDerWaalsContact CE1-OD2 3.24Å; H24-D69 IonicContact ND1-OD2 3.65Å; H24-K145 PolarHBondContact ND1-O 3Å; H24-V147 HydrophobicContact CB-CG1 3.89Å
25	G	98.3	Very high	98.7	Very high	24 Å²	24	42 Å²	42	25%	0.247	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.6	-13	179.3	0	0	0	0	0	113.7	G23 K144 K145	G23-G25 PolarHBondContact O-N 3.33Å; G25-K144 PolarHBondContact O-NZ 3.15Å; G25-K145 PolarHBondContact N-O 3.33Å
26	D	98.9	Very high	98.7	Very high	57 Å²	57	44 Å²	44	31%	0.305	24%	0.238	S	C	.	.			trans	-64.9	149.7	171.4	-78.5	-22.3	0	0	0	110.9	M22 G23 H24 F127 K145	M22-D26 WeakPolarHBondContact CA-OD2 3.37Å; M22-D26 HydrophobicContact CB-CB 3.94Å; M22-D26 HydrophobicContact CE-CB 4.04Å; M22-D26 HydrophobicContact CG-CB 4.1Å; G23-D26 PolarHBondContact N-OD2 2.95Å; G23-D26 PolarHBondContact O-N 2.85Å; H24-D26 VanDerWaalsContact C-N 3.32Å; D26-F127 HydrophobicContact CB-CB 4.28Å; D26-K145 PolarHBondContact O-N 2.85Å
27	E	98.9	Very high	98.7	Very high	20 Å²	20	42.8 Å²	42.8	9%	0.093	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	147.4	-176.6	-61.6	-173.9	167.2	0	0	111.2	R122 A126 F127 I142 L143 K144	E27-R122 IonicContact OE1-CZ 3.57Å; E27-R122 IonicContact OE1-NE 2.69Å; E27-R122 PolarHBondContact OE1-NE 3.23Å; E27-R122 IonicContact OE1-NH2 3.12Å; E27-R122 PolarHBondContact OE1-NH2 3.48Å; E27-R122 VanDerWaalsContact OE2-CG 3.3Å; E27-R122 WeakPolarHBondContact OE2-CG 3.44Å; E27-R122 IonicContact OE2-CZ 2.7Å; E27-R122 IonicContact OE2-NE 3.78Å; E27-R122 PolarHBondContact OE2-NE 3.45Å; E27-R122 IonicContact OE2-NH2 3.3Å; E27-A126 HydrophobicContact CB-CB 4.41Å; E27-A126 WeakPolarHBondContact O-CB 3.39Å; E27-F127 WeakPolarHBondContact O-CB 3.49Å; E27-F127 PolarHBondContact O-N 2.75Å; E27-I142 HydrophobicContact CB-CG2 3.95Å; E27-I142 HydrophobicContact CG-CG2 4.32Å; E27-L143 CarbonylContact C-O 3.6Å; E27-L143 WeakPolarHBondContact CA-O 3.42Å; E27-K144 HydrophobicContact CG-CB 4.05Å; E27-K144 HydrophobicContact CG-CG 3.94Å; E27-K144 IonicContact OE1-NZ 3.24Å; E27-K144 PolarHBondContact OE1-NZ 2.72Å
28	I	98.9	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136.6	172.7	-171.7	167.4	0	0	0	109.1	L15 L19 M22 L66 A128 V130 I142 L143	L15-I28 HydrophobicContact CD1-CD1 3.72Å; L19-I28 HydrophobicContact CD2-CD1 4.25Å; M22-I28 HydrophobicContact CE-CB 3.83Å; M22-I28 HydrophobicContact CE-CG2 4.01Å; M22-I28 HydrophobicContact SD-CB 4.07Å; M22-I28 HydrophobicContact SD-CD1 4.45Å; M22-I28 HydrophobicContact SD-CG2 4.43Å; I28-L66 HydrophobicContact CG2-CD2 4.2Å; I28-A128 WeakPolarHBondContact CA-O 3.15Å; I28-A128 HydrophobicContact CD1-CB 4.32Å; I28-A128 HydrophobicContact CG1-CB 4.2Å; I28-V130 HydrophobicContact CD1-CG2 3.77Å; I28-V130 HydrophobicContact CG1-CG2 4.06Å; I28-I142 WeakPolarHBondContact O-CA 3.39Å; I28-L143 HydrophobicContact CG2-CB 4.05Å; I28-L143 PolarHBondContact N-O 2.98Å; I28-L143 PolarHBondContact O-N 2.71Å
29	V	98.9	Very high	98.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	127.9	177.3	-168.9	0	0	0	0	109.1	A31 F119 A123 A126 A128 V129 V130 L141 I142	V29-A31 HydrophobicContact CG1-CB 4.46Å; V29-F119 HydrophobicContact CG1-CE1 4.35Å; V29-F119 HydrophobicContact CG1-CZ 4.42Å; V29-A123 HydrophobicContact CG2-CB 3.95Å; V29-A126 HydrophobicContact CG2-CB 3.73Å; V29-A128 PolarHBondContact N-O 2.88Å; V29-V129 HydrophobicContact CB-CB 4.35Å; V29-V129 HydrophobicContact CB-CG1 4.24Å; V29-V129 HydrophobicContact CB-CG2 4.02Å; V29-V129 HydrophobicContact CG2-CG2 3.98Å; V29-V130 PolarHBondContact O-N 3.45Å; V29-L141 CarbonylContact C-O 3.18Å; V29-L141 WeakPolarHBondContact CA-O 3.16Å; V29-I142 HydrophobicContact CG1-CG1 4.39Å; V29-I142 HydrophobicContact CG2-CG1 4.16Å
30	L	98.9	Very high	98.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	108.9	161.8	-51.4	-176.4	0	0	0	106.8	I55 L58 L59 L62 V130 N140 L141 L143	L30-I55 HydrophobicContact CB-CD1 4.04Å; L30-I55 HydrophobicContact CB-CG1 4.04Å; L30-I55 HydrophobicContact CB-CG2 3.99Å; L30-I55 HydrophobicContact CD1-CG2 3.84Å; L30-I55 WeakPolarHBondContact O-CD1 3.32Å; L30-L58 HydrophobicContact CD2-CD2 4.16Å; L30-L59 HydrophobicContact CD1-CB 4.21Å; L30-L59 HydrophobicContact CD1-CD1 4.23Å; L30-L62 HydrophobicContact CD1-CD1 3.65Å; L30-L62 HydrophobicContact CD2-CD1 3.48Å; L30-L62 VanDerWaalsContact CD2-CD1 3.48Å; L30-L62 HydrophobicContact CG-CD1 4.16Å; L30-V130 HydrophobicContact CD2-CB 3.99Å; L30-V130 HydrophobicContact CD2-CG2 3.97Å; L30-N140 WeakPolarHBondContact O-CA 3.27Å; L30-L141 HydrophobicContact CB-CB 4.46Å; L30-L141 HydrophobicContact CD1-CD2 4.5Å; L30-L141 PolarHBondContact N-O 2.92Å; L30-L141 PolarHBondContact O-N 2.64Å; L30-L143 HydrophobicContact CD1-CD1 4.32Å
31	A	98.9	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	131	-170.3	0	0	0	0	0	110.7	V29 F35 V129 V130 T132 N140	V29-A31 HydrophobicContact CG1-CB 4.46Å; A31-F35 HydrophobicContact CB-CB 3.78Å; A31-F35 HydrophobicContact CB-CD1 3.55Å; A31-F35 HydrophobicContact CB-CE1 4.37Å; A31-F35 HydrophobicContact CB-CG 3.8Å; A31-V129 HydrophobicContact CB-CG1 3.77Å; A31-V130 WeakPolarHBondContact CB-O 3.29Å; A31-V130 PolarHBondContact N-O 3.4Å; A31-T132 WeakPolarHBondContact O-CB 3.4Å; A31-T132 PolarHBondContact O-N 3.39Å; A31-T132 PolarHBondContact O-OG1 3.43Å; A31-N140 WeakPolarHBondContact CA-OD1 3.48Å
32	D	98.8	Very high	98.7	Very high	8 Å²	8	40.9 Å²	40.9	4%	0.043	24%	0.237	C	C	.	.			trans	-70.7	168.7	171.5	72.8	49.7	0	0	0	111.6	N34 F35 E134 G139 N140	D32-N34 PolarHBondContact O-N 3.23Å; D32-N34 VanDerWaalsContact O-N 3.13Å; D32-N34 WeakPolarHBondContact OD1-CA 3.48Å; D32-N34 WeakPolarHBondContact OD1-CB 3.38Å; D32-N34 PolarHBondContact OD1-N 3.46Å; D32-F35 VanDerWaalsContact O-CB 3.32Å; D32-F35 WeakPolarHBondContact O-CB 3.48Å; D32-F35 PolarHBondContact O-N 2.89Å; D32-F35 VanDerWaalsContact O-N 3.08Å; D32-F35 PolarHBondContact OD1-N 3.08Å; D32-F35 VanDerWaalsContact OD1-N 3.12Å; D32-E134 HydrophobicContact CB-CB 4.22Å; D32-E134 HydrophobicContact CB-CG 4.26Å; D32-G139 PolarHBondContact OD2-N 2.88Å; D32-G139 VanDerWaalsContact OD2-N 3.12Å; D32-N140 PolarHBondContact N-OD1 3.23Å; D32-N140 PolarHBondContact OD2-N 3.04Å; D32-N140 PolarHBondContact OD2-ND2 3.37Å; D32-N140 PolarHBondContact OD2-OD1 2.82Å
33	L	98.1	Very high	98.7	Very high	109 Å²	109	44.1 Å²	44.1	57%	0.571	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.7	-175.9	-179.4	68.2	0	0	0	113.2	E134 T135	L33-E134 WeakPolarHBondContact CB-O 3.31Å; L33-E134 PolarHBondContact N-O 3.47Å; L33-T135 HydrophobicContact CD2-CG2 4.17Å
34	N	98.5	Very high	98.6	Very high	109 Å²	109	45.4 Å²	45.4	58%	0.583	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-9.2	-176.4	-58.4	-68.9	0	0	0	112.6	D32	D32-N34 PolarHBondContact O-N 3.23Å; D32-N34 VanDerWaalsContact O-N 3.13Å; D32-N34 WeakPolarHBondContact OD1-CA 3.48Å; D32-N34 WeakPolarHBondContact OD1-CB 3.38Å; D32-N34 PolarHBondContact OD1-N 3.46Å
35	F	98.8	Very high	98.7	Very high	14 Å²	14	40.8 Å²	40.8	6%	0.061	25%	0.251	C	S	.	.	S	Bend	trans	-66.1	137.7	179.2	-167.3	-101.2	0	0	0	110.9	A31 D32 A37 I40 M79 F119 Y120 A123 V129 N140	A31-F35 HydrophobicContact CB-CB 3.78Å; A31-F35 HydrophobicContact CB-CD1 3.55Å; A31-F35 HydrophobicContact CB-CE1 4.37Å; A31-F35 HydrophobicContact CB-CG 3.8Å; D32-F35 VanDerWaalsContact O-CB 3.32Å; D32-F35 WeakPolarHBondContact O-CB 3.48Å; D32-F35 PolarHBondContact O-N 2.89Å; D32-F35 VanDerWaalsContact O-N 3.08Å; D32-F35 PolarHBondContact OD1-N 3.08Å; D32-F35 VanDerWaalsContact OD1-N 3.12Å; F35-A37 HydrophobicContact CD1-CB 4.21Å; F35-A37 PolarHBondContact O-N 3.32Å; F35-I40 HydrophobicContact CE1-CB 4.15Å; F35-I40 HydrophobicContact CE1-CG1 3.85Å; F35-I40 HydrophobicContact CE1-CG2 4.28Å; F35-I40 HydrophobicContact CZ-CG1 3.97Å; F35-M79 HydrophobicContact CE2-CE 4.44Å; F35-F119 HydrophobicContact CD2-CE1 4.44Å; F35-F119 AromaticContact CE2-CD1 3.91Å; F35-F119 HydrophobicContact CE2-CD1 3.91Å; F35-F119 AromaticContact CE2-CE1 3.61Å; F35-F119 HydrophobicContact CE2-CE1 3.61Å; F35-F119 HydrophobicContact CZ-CE1 4.16Å; F35-Y120 HydrophobicContact CD2-CE1 4.03Å; F35-Y120 AromaticContact CE2-CD1 3.67Å; F35-Y120 HydrophobicContact CE2-CD1 3.67Å; F35-Y120 AromaticContact CE2-CE1 3.53Å; F35-Y120 HydrophobicContact CE2-CE1 3.53Å; F35-Y120 HydrophobicContact CZ-CD1 4.01Å; F35-Y120 HydrophobicContact CZ-CE1 4.22Å; F35-A123 HydrophobicContact CZ-CB 3.86Å; F35-V129 HydrophobicContact CD1-CG1 4.35Å; F35-V129 HydrophobicContact CE1-CG1 4.2Å; F35-N140 VanDerWaalsContact CB-OD1 3.26Å; F35-N140 WeakPolarHBondContact CB-OD1 3.47Å; F35-N140 HydrophobicContact CD2-CB 4.35Å; F35-N140 VanDerWaalsContact CD2-CG 3.46Å; F35-N140 VanDerWaalsContact CD2-OD1 3.27Å; F35-N140 WeakPolarHBondContact CD2-OD1 3.32Å; F35-N140 WeakPolarHBondContact CG-OD1 3.46Å
36	P	98.6	Very high	98.7	Very high	47 Å²	47	43.1 Å²	43.1	31%	0.305	26%	0.258	S	S	.	.			trans	-77.9	58.3	-179.4	33.4	-36.7	0	0	0	111.7	S38 S39 I40 Y120	P36-S38 VanDerWaalsContact C-N 3.35Å; P36-S38 PolarHBondContact O-N 3.15Å; P36-S39 PolarHBondContact O-N 2.99Å; P36-I40 HydrophobicContact CG-CG1 4.08Å; P36-I40 WeakPolarHBondContact O-CG1 3.46Å; P36-I40 PolarHBondContact O-N 3.44Å; P36-Y120 HydrophobicContact CG-CD1 4.5Å; P36-Y120 HydrophobicContact CG-CE1 3.89Å
37	A	98.7	Very high	98.7	Very high	7 Å²	7	44.2 Å²	44.2	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-54.5	-47.4	-171.9	0	0	0	0	0	112.3	F35 S39 I40 C41 V129 A131	F35-A37 HydrophobicContact CD1-CB 4.21Å; F35-A37 PolarHBondContact O-N 3.32Å; A37-S39 PolarHBondContact O-N 3.06Å; A37-I40 PolarHBondContact O-N 2.71Å; A37-C41 WeakPolarHBondContact O-CB 3.21Å; A37-C41 PolarHBondContact O-N 2.99Å; A37-C41 PolarHBondContact O-SG 3.3Å; A37-V129 HydrophobicContact CB-CG1 4.03Å; A37-A131 HydrophobicContact CB-CB 3.95Å
38	S	98.4	Very high	98.7	Very high	63 Å²	63	44 Å²	44	44%	0.441	26%	0.26	S	S	.	.	H	α-helix	trans	-60.1	-48.5	-178.9	-171.5	0	0	0	0	112.4	P36 I40 C41 Q42	P36-S38 VanDerWaalsContact C-N 3.35Å; P36-S38 PolarHBondContact O-N 3.15Å; S38-I40 PolarHBondContact O-N 3.28Å; S38-C41 PolarHBondContact O-N 2.79Å; S38-Q42 WeakPolarHBondContact O-CG 3.25Å; S38-Q42 PolarHBondContact O-N 2.75Å; S38-Q42 VanDerWaalsContact O-N 3.14Å
39	S	98.7	Very high	98.7	Very high	75 Å²	75	50.6 Å²	50.6	52%	0.524	29%	0.285	S	S	.	.	H	α-helix	trans	-66.8	-35.7	179	-54.7	0	0	0	0	112.7	P36 A37	P36-S39 PolarHBondContact O-N 2.99Å; A37-S39 PolarHBondContact O-N 3.06Å
40	I	98.8	Very high	98.6	Very high	9 Å²	9	51.3 Å²	51.3	5%	0.046	29%	0.291	C	S	.	.	H	α-helix	trans	-68.5	-40.5	176.2	-66.8	-71.2	0	0	0	110.8	F35 P36 A37 S38 Q42 C43 P45 Y120 A123 K124 V129	F35-I40 HydrophobicContact CE1-CB 4.15Å; F35-I40 HydrophobicContact CE1-CG1 3.85Å; F35-I40 HydrophobicContact CE1-CG2 4.28Å; F35-I40 HydrophobicContact CZ-CG1 3.97Å; P36-I40 HydrophobicContact CG-CG1 4.08Å; P36-I40 WeakPolarHBondContact O-CG1 3.46Å; P36-I40 PolarHBondContact O-N 3.44Å; A37-I40 PolarHBondContact O-N 2.71Å; S38-I40 PolarHBondContact O-N 3.28Å; I40-Q42 VanDerWaalsContact C-N 3.3Å; I40-Q42 PolarHBondContact O-N 2.96Å; I40-C43 VanDerWaalsContact O-CB 3.28Å; I40-C43 WeakPolarHBondContact O-CB 3.17Å; I40-C43 PolarHBondContact O-N 3.24Å; I40-P45 HydrophobicContact CG2-CG 4.16Å; I40-P45 WeakPolarHBondContact O-CD 3.29Å; I40-Y120 HydrophobicContact CD1-CD1 4.13Å; I40-Y120 HydrophobicContact CD1-CG 4.35Å; I40-A123 HydrophobicContact CG2-CB 4.03Å; I40-K124 HydrophobicContact CD1-CG 3.91Å; I40-K124 HydrophobicContact CG2-CG 4.26Å; I40-V129 HydrophobicContact CG2-CG2 4.13Å
41	C	98.8	Very high	98.6	Very high	17 Å²	17	55.6 Å²	55.6	12%	0.115	31%	0.314	C	S	.	.	H	α-helix	trans	-67.9	-28.3	179.2	-64.3	0	0	0	0	113.2	A37 S38 C43 G44 P45 E47	A37-C41 WeakPolarHBondContact O-CB 3.21Å; A37-C41 PolarHBondContact O-N 2.99Å; A37-C41 PolarHBondContact O-SG 3.3Å; S38-C41 PolarHBondContact O-N 2.79Å; C41-C43 PolarHBondContact O-N 2.96Å; C41-C43 VanDerWaalsContact O-N 3.11Å; C41-G44 PolarHBondContact O-N 3.03Å; C41-G44 VanDerWaalsContact O-N 3.08Å; C41-P45 WeakPolarHBondContact CB-O 3.3Å; C41-E47 HydrophobicContact CB-CB 3.85Å; C41-E47 VanDerWaalsContact SG-CB 3.59Å
42	Q	98.6	Very high	98.6	Very high	159 Å²	159	59.4 Å²	59.4	74%	0.743	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-16.8	169.9	-71.3	178.7	7.4	0	0	113.4	S38 I40	S38-Q42 WeakPolarHBondContact O-CG 3.25Å; S38-Q42 PolarHBondContact O-N 2.75Å; S38-Q42 VanDerWaalsContact O-N 3.14Å; I40-Q42 VanDerWaalsContact C-N 3.3Å; I40-Q42 PolarHBondContact O-N 2.96Å
43	C	98.3	Very high	98.6	Very high	73 Å²	73	61.1 Å²	61.1	49%	0.493	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-7.6	176.1	-57.3	0	0	0	0	114.2	I40 C41 K124	I40-C43 VanDerWaalsContact O-CB 3.28Å; I40-C43 WeakPolarHBondContact O-CB 3.17Å; I40-C43 PolarHBondContact O-N 3.24Å; C41-C43 PolarHBondContact O-N 2.96Å; C41-C43 VanDerWaalsContact O-N 3.11Å; C43-K124 HydrophobicContact CB-CB 4.04Å; C43-K124 HydrophobicContact CB-CD 4.14Å; C43-K124 HydrophobicContact CB-CG 3.77Å
44	G	98.2	Very high	98.6	Very high	59 Å²	59	57 Å²	57	61%	0.608	35%	0.346	S	S	*	.	S	Bend	trans	154.9	-54.6	-178.4	0	0	0	0	0	117	C41	C41-G44 PolarHBondContact O-N 3.03Å; C41-G44 VanDerWaalsContact O-N 3.08Å
45	P	98.8	Very high	98.6	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.039	32%	0.319	C	S	.	.	S	Bend	trans	-67.5	152.4	-169.8	20.3	-26.7	0	0	0	111.9	I40 C41 E47 K124 A126 V129	I40-P45 HydrophobicContact CG2-CG 4.16Å; I40-P45 WeakPolarHBondContact O-CD 3.29Å; C41-P45 WeakPolarHBondContact CB-O 3.3Å; P45-E47 PolarHBondContact O-N 2.82Å; P45-K124 WeakPolarHBondContact CD-O 3.29Å; P45-A126 WeakPolarHBondContact CB-O 3.32Å; P45-V129 HydrophobicContact CB-CG2 3.97Å; P45-V129 HydrophobicContact CG-CG2 3.81Å
46	L	98.8	Very high	98.6	Very high	74 Å²	74	51.6 Å²	51.6	39%	0.387	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	129.9	171.5	-60.3	174.6	0	0	0	110.3	F127 A128 V129	L46-F127 HydrophobicContact CD1-CD1 4.4Å; L46-F127 HydrophobicContact CD1-CE1 3.76Å; L46-F127 HydrophobicContact CD1-CZ 4.24Å; L46-F127 PolarHBondContact N-O 3.49Å; L46-A128 HydrophobicContact CB-CB 4.08Å; L46-A128 CarbonylContact O-C 3.56Å; L46-A128 VanDerWaalsContact O-CA 3.32Å; L46-A128 WeakPolarHBondContact O-CA 3.46Å; L46-V129 PolarHBondContact O-N 3.03Å
47	E	98.8	Very high	98.6	Very high	79 Å²	79	52 Å²	52	37%	0.369	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.3	169.5	-166.9	173.8	166.3	0	0	110	C41 P45 R49	C41-E47 HydrophobicContact CB-CB 3.85Å; C41-E47 VanDerWaalsContact SG-CB 3.59Å; P45-E47 PolarHBondContact O-N 2.82Å; E47-R49 IonicContact OE1-NH1 3.68Å; E47-R49 PolarHBondContact OE1-NH1 3.49Å
48	I	98.9	Very high	98.6	Very high	15 Å²	15	51.8 Å²	51.8	8%	0.077	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132	175.4	-58.1	176	0	0	0	108.4	L15 A18 A128 V129 V130 A131	L15-I48 HydrophobicContact CB-CG2 4.35Å; L15-I48 HydrophobicContact CD1-CD1 4.28Å; A18-I48 HydrophobicContact CB-CD1 3.63Å; I48-A128 HydrophobicContact CD1-CB 4.01Å; I48-V129 PolarHBondContact N-O 3.26Å; I48-V130 HydrophobicContact CB-CG2 4.38Å; I48-V130 HydrophobicContact CG2-CG1 4.42Å; I48-V130 CarbonylContact O-C 3.58Å; I48-V130 VanDerWaalsContact O-CA 3.29Å; I48-V130 WeakPolarHBondContact O-CA 3.28Å; I48-A131 PolarHBondContact O-N 3.36Å
49	R	98.7	Very high	98.6	Very high	140 Å²	140	48.8 Å²	48.8	53%	0.528	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.9	-178.2	-65.2	-55.2	-68.3	-158.8	-3.3	111.7	E47 D51	E47-R49 IonicContact OE1-NH1 3.68Å; E47-R49 PolarHBondContact OE1-NH1 3.49Å; R49-D51 WeakPolarHBondContact CB-OD2 3.44Å; R49-D51 IonicContact CZ-OD1 2.78Å; R49-D51 IonicContact CZ-OD2 2.64Å; R49-D51 IonicContact NE-OD1 3.41Å; R49-D51 PolarHBondContact NE-OD1 3.28Å; R49-D51 IonicContact NE-OD2 3.23Å; R49-D51 PolarHBondContact NE-OD2 3.5Å; R49-D51 IonicContact NH2-OD1 2.9Å; R49-D51 PolarHBondContact NH2-OD1 3.23Å; R49-D51 IonicContact NH2-OD2 3.43Å
50	A	98.6	Very high	98.6	Very high	15 Å²	15	49.1 Å²	49.1	12%	0.124	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	39.1	174.7	0	0	0	0	0	110.7	G52 L53 L58 V130 A131 T132	A50-G52 PolarHBondContact O-N 3.44Å; A50-L53 HydrophobicContact CB-CD1 4.33Å; A50-L53 PolarHBondContact O-N 3.05Å; A50-L58 HydrophobicContact CB-CD2 4.34Å; A50-V130 HydrophobicContact CB-CG1 3.69Å; A50-A131 CarbonylContact C-O 3.56Å; A50-A131 WeakPolarHBondContact CA-O 3.33Å; A50-A131 PolarHBondContact N-O 3.09Å; A50-T132 HydrophobicContact CB-CG2 4.47Å
51	D	98.3	Very high	98.6	Very high	89 Å²	89	48.8 Å²	48.8	48%	0.476	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.4	-34.4	-169.8	-63	-120	0	0	0	115.6	R49 L53 G133	R49-D51 WeakPolarHBondContact CB-OD2 3.44Å; R49-D51 IonicContact CZ-OD1 2.78Å; R49-D51 IonicContact CZ-OD2 2.64Å; R49-D51 IonicContact NE-OD1 3.41Å; R49-D51 PolarHBondContact NE-OD1 3.28Å; R49-D51 IonicContact NE-OD2 3.23Å; R49-D51 PolarHBondContact NE-OD2 3.5Å; R49-D51 IonicContact NH2-OD1 2.9Å; R49-D51 PolarHBondContact NH2-OD1 3.23Å; R49-D51 IonicContact NH2-OD2 3.43Å; D51-L53 VanDerWaalsContact C-N 3.34Å; D51-G133 WeakPolarHBondContact O-CA 3.39Å; D51-G133 PolarHBondContact O-N 3.09Å
52	G	97.8	Very high	98.6	Very high	80 Å²	80	48 Å²	48	83%	0.825	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	2.7	-177.6	0	0	0	0	0	114.9	A50	A50-G52 PolarHBondContact O-N 3.44Å
53	L	98.5	Very high	98.6	Very high	45 Å²	45	41.5 Å²	41.5	24%	0.236	26%	0.255	C	S	.	.			trans	-114.9	140.7	-173.8	-56.2	-176.9	0	0	0	111	L10 A50 D51 L58 T132 G133	L10-L53 HydrophobicContact CD2-CD1 4.48Å; L10-L53 HydrophobicContact CD2-CD2 3.86Å; A50-L53 HydrophobicContact CB-CD1 4.33Å; A50-L53 PolarHBondContact O-N 3.05Å; D51-L53 VanDerWaalsContact C-N 3.34Å; L53-L58 HydrophobicContact CD1-CD1 4.26Å; L53-T132 WeakPolarHBondContact O-CB 3.43Å; L53-G133 PolarHBondContact O-N 2.85Å
54	G	98.6	Very high	98.6	Very high	23 Å²	23	45.6 Å²	45.6	24%	0.237	26%	0.264	C	S	.	.			trans	-79.3	163.3	163.2	0	0	0	0	0	111.5	P57 L58	G54-P57 WeakPolarHBondContact O-CD 3.47Å; G54-P57 WeakPolarHBondContact O-CG 3.37Å; G54-L58 WeakPolarHBondContact O-CB 3.32Å
55	I	98.9	Very high	98.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-71	-42.9	-179	-70.3	172	0	0	0	112.1	L30 L58 L59 Y98 T132 E134 G139	L30-I55 HydrophobicContact CB-CD1 4.04Å; L30-I55 HydrophobicContact CB-CG1 4.04Å; L30-I55 HydrophobicContact CB-CG2 3.99Å; L30-I55 HydrophobicContact CD1-CG2 3.84Å; L30-I55 WeakPolarHBondContact O-CD1 3.32Å; I55-L58 CarbonylContact O-C 3.57Å; I55-L58 PolarHBondContact O-N 3.3Å; I55-L58 VanDerWaalsContact O-N 3.14Å; I55-L59 VanDerWaalsContact O-CB 3.3Å; I55-L59 WeakPolarHBondContact O-CB 3.42Å; I55-L59 PolarHBondContact O-N 3.43Å; I55-Y98 HydrophobicContact CB-CE1 4.06Å; I55-Y98 VanDerWaalsContact CB-OH 3.25Å; I55-Y98 WeakPolarHBondContact CB-OH 3.46Å; I55-Y98 HydrophobicContact CG2-CD1 4.45Å; I55-Y98 HydrophobicContact CG2-CE1 3.49Å; I55-Y98 VanDerWaalsContact CG2-CE1 3.49Å; I55-Y98 HydrophobicContact CG2-CE2 4.43Å; I55-Y98 VanDerWaalsContact CG2-CZ 3.47Å; I55-Y98 WeakPolarHBondContact CG2-OH 3.4Å; I55-T132 HydrophobicContact CG1-CG2 3.9Å; I55-T132 WeakPolarHBondContact CG1-OG1 3.32Å; I55-E134 HydrophobicContact CB-CB 4.26Å; I55-E134 HydrophobicContact CB-CG 4.18Å; I55-E134 HydrophobicContact CD1-CB 3.83Å; I55-E134 HydrophobicContact CD1-CG 3.92Å; I55-E134 HydrophobicContact CG1-CB 3.68Å; I55-E134 HydrophobicContact CG1-CG 4Å; I55-E134 PolarHBondContact N-OE2 3.44Å; I55-G139 WeakPolarHBondContact CD1-O 3.2Å
56	P	98.8	Very high	98.5	Very high	9 Å²	9	46.1 Å²	46.1	6%	0.058	25%	0.252	C	S	.	.	H	α-helix	trans	-53.2	-53.2	-179.2	-25.4	32.2	0	0	0	115.2	L58 L59 E60 E97 Y98 I101 E134	P56-L58 VanDerWaalsContact C-N 3.28Å; P56-L58 PolarHBondContact O-N 3.1Å; P56-L59 PolarHBondContact O-N 3.24Å; P56-E60 PolarHBondContact O-N 2.97Å; P56-E97 HydrophobicContact CB-CG 4.14Å; P56-E97 VanDerWaalsContact CB-OE1 3.29Å; P56-E97 WeakPolarHBondContact CB-OE1 3.26Å; P56-E97 HydrophobicContact CG-CG 4.24Å; P56-Y98 HydrophobicContact CG-CE1 3.98Å; P56-I101 HydrophobicContact CB-CD1 3.82Å; P56-E134 WeakPolarHBondContact CD-OE2 3.41Å
57	P	98.6	Very high	98.5	Very high	55 Å²	55	43.8 Å²	43.8	36%	0.357	24%	0.242	S	C	.	.	H	α-helix	trans	-66.5	-30.6	178.3	26.6	-35.3	0	0	0	112.8	L10 G54 A61	L10-P57 HydrophobicContact CD1-CB 4.23Å; G54-P57 WeakPolarHBondContact O-CD 3.47Å; G54-P57 WeakPolarHBondContact O-CG 3.37Å; P57-A61 PolarHBondContact O-N 3.13Å; P57-A61 VanDerWaalsContact O-N 3.17Å
58	L	98.8	Very high	98.4	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-70.9	-41.5	176.3	-176.2	59.6	0	0	0	111.4	L11 L15 L30 A50 L53 G54 I55 P56 A61 L62 V130 T132	L11-L58 HydrophobicContact CD2-CD1 3.95Å; L15-L58 HydrophobicContact CD2-CD1 3.82Å; L30-L58 HydrophobicContact CD2-CD2 4.16Å; A50-L58 HydrophobicContact CB-CD2 4.34Å; L53-L58 HydrophobicContact CD1-CD1 4.26Å; G54-L58 WeakPolarHBondContact O-CB 3.32Å; I55-L58 CarbonylContact O-C 3.57Å; I55-L58 PolarHBondContact O-N 3.3Å; I55-L58 VanDerWaalsContact O-N 3.14Å; P56-L58 VanDerWaalsContact C-N 3.28Å; P56-L58 PolarHBondContact O-N 3.1Å; L58-A61 WeakPolarHBondContact O-CB 3.21Å; L58-A61 PolarHBondContact O-N 2.87Å; L58-L62 HydrophobicContact CD1-CD1 4.28Å; L58-L62 HydrophobicContact CG-CD1 3.81Å; L58-L62 WeakPolarHBondContact O-CB 3.4Å; L58-L62 WeakPolarHBondContact O-CD1 3.45Å; L58-L62 WeakPolarHBondContact O-CG 3.47Å; L58-L62 PolarHBondContact O-N 3.45Å; L58-V130 HydrophobicContact CD2-CG1 3.97Å; L58-T132 HydrophobicContact CD2-CG2 3.8Å
59	L	98.9	Very high	98.4	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60.4	-47.3	175.1	178.2	63	0	0	0	110.8	L30 I55 P56 A61 L62 L63 Y98 I101 L141 L143	L30-L59 HydrophobicContact CD1-CB 4.21Å; L30-L59 HydrophobicContact CD1-CD1 4.23Å; I55-L59 VanDerWaalsContact O-CB 3.3Å; I55-L59 WeakPolarHBondContact O-CB 3.42Å; I55-L59 PolarHBondContact O-N 3.43Å; P56-L59 PolarHBondContact O-N 3.24Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 2.82Å; L59-L62 PolarHBondContact O-N 2.66Å; L59-L63 HydrophobicContact CD1-CD1 3.83Å; L59-L63 HydrophobicContact CD1-CD2 4.34Å; L59-L63 HydrophobicContact CD1-CG 3.9Å; L59-L63 HydrophobicContact CG-CD1 3.97Å; L59-L63 HydrophobicContact CG-CG 4.37Å; L59-L63 WeakPolarHBondContact O-CG 3.43Å; L59-L63 PolarHBondContact O-N 2.84Å; L59-Y98 HydrophobicContact CD2-CD1 3.88Å; L59-Y98 HydrophobicContact CD2-CG 4.2Å; L59-I101 HydrophobicContact CB-CG2 4.44Å; L59-I101 HydrophobicContact CD2-CB 4.04Å; L59-I101 HydrophobicContact CD2-CD1 4.18Å; L59-I101 HydrophobicContact CD2-CG2 3.76Å; L59-I101 HydrophobicContact CG-CG2 3.72Å; L59-L141 HydrophobicContact CD1-CD2 3.73Å; L59-L141 HydrophobicContact CD2-CD2 3.72Å; L59-L141 HydrophobicContact CG-CD2 4.3Å; L59-L143 HydrophobicContact CD1-CD1 3.59Å; L59-L143 HydrophobicContact CD1-CD2 4.1Å; L59-L143 HydrophobicContact CD1-CG 4.38Å
60	E	98.7	Very high	98.3	Very high	82 Å²	82	38.6 Å²	38.6	38%	0.383	23%	0.23	S	C	.	.	H	α-helix	trans	-58.3	-39	174.6	-72.5	-168.3	165.6	0	0	112.5	P56 K64 I101 R104	P56-E60 PolarHBondContact O-N 2.97Å; E60-K64 WeakPolarHBondContact O-CG 3.46Å; E60-I101 HydrophobicContact CG-CB 4.39Å; E60-I101 HydrophobicContact CG-CD1 3.95Å; E60-I101 HydrophobicContact CG-CG1 3.81Å; E60-I101 HydrophobicContact CG-CG2 3.67Å; E60-R104 IonicContact OE1-CZ 3.63Å; E60-R104 IonicContact OE1-NH2 3.64Å; E60-R104 PolarHBondContact OE1-NH2 3.05Å
61	A	98.6	Very high	98.2	Very high	3 Å²	3	46.1 Å²	46.1	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-68.5	-44.1	176.4	0	0	0	0	0	112.1	P8 L10 L11 P57 L58 L59 K64	P8-A61 HydrophobicContact CB-CB 3.69Å; P8-A61 HydrophobicContact CG-CB 4.19Å; L10-A61 HydrophobicContact CB-CB 4.35Å; L10-A61 HydrophobicContact CD1-CB 4.47Å; L11-A61 HydrophobicContact CD2-CB 3.91Å; L11-A61 HydrophobicContact CG-CB 4.21Å; P57-A61 PolarHBondContact O-N 3.13Å; P57-A61 VanDerWaalsContact O-N 3.17Å; L58-A61 WeakPolarHBondContact O-CB 3.21Å; L58-A61 PolarHBondContact O-N 2.87Å; L59-A61 VanDerWaalsContact C-N 3.26Å; L59-A61 PolarHBondContact O-N 2.82Å; A61-K64 PolarHBondContact O-N 3.08Å
62	L	98.4	Very high	98.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-48.6	178.4	-83.7	152.4	0	0	0	112.2	L11 L15 L19 L30 L58 L59 K64 L65 L66	L11-L62 HydrophobicContact CD2-CG 4.27Å; L15-L62 HydrophobicContact CD1-CD2 4.39Å; L15-L62 HydrophobicContact CD2-CD2 4.46Å; L19-L62 HydrophobicContact CD1-CD2 3.59Å; L19-L62 HydrophobicContact CD2-CD2 3.39Å; L19-L62 HydrophobicContact CG-CD2 3.99Å; L30-L62 HydrophobicContact CD1-CD1 3.65Å; L30-L62 HydrophobicContact CD2-CD1 3.48Å; L30-L62 VanDerWaalsContact CD2-CD1 3.48Å; L30-L62 HydrophobicContact CG-CD1 4.16Å; L58-L62 HydrophobicContact CD1-CD1 4.28Å; L58-L62 HydrophobicContact CG-CD1 3.81Å; L58-L62 WeakPolarHBondContact O-CB 3.4Å; L58-L62 WeakPolarHBondContact O-CD1 3.45Å; L58-L62 WeakPolarHBondContact O-CG 3.47Å; L58-L62 PolarHBondContact O-N 3.45Å; L59-L62 PolarHBondContact O-N 2.66Å; L62-K64 PolarHBondContact O-N 2.9Å; L62-K64 VanDerWaalsContact O-N 3.15Å; L62-L65 PolarHBondContact O-N 2.77Å; L62-L66 WeakPolarHBondContact O-CB 3.44Å; L62-L66 PolarHBondContact O-N 2.94Å
63	L	98.4	Very high	98.1	Very high	23 Å²	23	48.6 Å²	48.6	12%	0.12	25%	0.247	C	C	.	.	H	α-helix	trans	-68.7	-12.3	-174.7	-65.8	179.2	0	0	0	114.1	L59 L65 L68 I101 L102 A105	L59-L63 HydrophobicContact CD1-CD1 3.83Å; L59-L63 HydrophobicContact CD1-CD2 4.34Å; L59-L63 HydrophobicContact CD1-CG 3.9Å; L59-L63 HydrophobicContact CG-CD1 3.97Å; L59-L63 HydrophobicContact CG-CG 4.37Å; L59-L63 WeakPolarHBondContact O-CG 3.43Å; L59-L63 PolarHBondContact O-N 2.84Å; L63-L65 PolarHBondContact O-N 3.4Å; L63-L68 HydrophobicContact CD2-CD1 3.72Å; L63-L68 HydrophobicContact CD2-CD2 3.82Å; L63-L68 HydrophobicContact CD2-CG 3.8Å; L63-I101 HydrophobicContact CD1-CG2 3.83Å; L63-L102 HydrophobicContact CD1-CD2 3.89Å; L63-L102 HydrophobicContact CD2-CD2 4.45Å; L63-A105 HydrophobicContact CB-CB 3.88Å; L63-A105 HydrophobicContact CD1-CB 3.71Å; L63-A105 HydrophobicContact CG-CB 4.34Å
64	K	97.8	Very high	98.1	Very high	158 Å²	158	47.2 Å²	47.2	69%	0.687	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.4	168.5	-70.7	175.1	-177.1	-178	0	112.9	P8 E60 A61 L62	P8-K64 HydrophobicContact CG-CB 4.2Å; P8-K64 HydrophobicContact CG-CD 3.73Å; E60-K64 WeakPolarHBondContact O-CG 3.46Å; A61-K64 PolarHBondContact O-N 3.08Å; L62-K64 PolarHBondContact O-N 2.9Å; L62-K64 VanDerWaalsContact O-N 3.15Å
65	L	97.8	Very high	98.1	Very high	70 Å²	70	46.1 Å²	46.1	37%	0.366	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.5	-30	-175	-55.4	179.9	0	0	0	113.1	V7 L11 L16 L62 L63 P67	V7-L65 HydrophobicContact CG1-CD1 4.18Å; L11-L65 HydrophobicContact CD1-CD1 3.52Å; L16-L65 HydrophobicContact CD2-CD1 3.66Å; L62-L65 PolarHBondContact O-N 2.77Å; L63-L65 PolarHBondContact O-N 3.4Å; L65-P67 VanDerWaalsContact O-CD 3.27Å; L65-P67 WeakPolarHBondContact O-CD 3.39Å
66	L	98.2	Very high	98.1	Very high	6 Å²	6	46.2 Å²	46.2	3%	0.031	23%	0.23	C	C	.	.			trans	-92.2	107.4	-175	-174.5	69.9	0	0	0	110.6	L19 I28 L62 L68 L143 K145	L19-L66 HydrophobicContact CD2-CD1 4.04Å; L19-L66 HydrophobicContact CD2-CD2 4.4Å; I28-L66 HydrophobicContact CG2-CD2 4.2Å; L62-L66 WeakPolarHBondContact O-CB 3.44Å; L62-L66 PolarHBondContact O-N 2.94Å; L66-L68 HydrophobicContact CD2-CD2 4.43Å; L66-L68 PolarHBondContact O-N 2.89Å; L66-L143 HydrophobicContact CD2-CB 4.21Å; L66-L143 HydrophobicContact CD2-CD1 4.22Å; L66-K145 HydrophobicContact CD1-CB 3.92Å; L66-K145 HydrophobicContact CD1-CD 3.68Å; L66-K145 HydrophobicContact CD1-CG 3.64Å
67	P	97.7	Very high	98.1	Very high	26 Å²	26	45.8 Å²	45.8	17%	0.169	23%	0.227	C	C	.	.	P	Polyproline II helix	trans	-66.4	134.9	169.5	30.7	-36.1	0	0	0	109.3	L65 K145 G146 L148	L65-P67 VanDerWaalsContact O-CD 3.27Å; L65-P67 WeakPolarHBondContact O-CD 3.39Å; P67-K145 HydrophobicContact CG-CG 4.42Å; P67-K145 CarbonylContact O-C 3.58Å; P67-K145 WeakPolarHBondContact O-CA 3.45Å; P67-G146 PolarHBondContact O-N 3.17Å; P67-L148 HydrophobicContact CB-CD2 3.95Å; P67-L148 HydrophobicContact CB-CG 4.11Å; P67-L148 HydrophobicContact CG-CD2 4.42Å; P67-L148 HydrophobicContact CG-CG 4.05Å
68	L	98.4	Very high	98.1	Very high	28 Å²	28	43.1 Å²	43.1	15%	0.147	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-89.5	148.2	175.9	-65.2	-179.1	0	0	0	111.4	L63 L66 T70 P75 L102 C107 L143	L63-L68 HydrophobicContact CD2-CD1 3.72Å; L63-L68 HydrophobicContact CD2-CD2 3.82Å; L63-L68 HydrophobicContact CD2-CG 3.8Å; L66-L68 HydrophobicContact CD2-CD2 4.43Å; L66-L68 PolarHBondContact O-N 2.89Å; L68-T70 PolarHBondContact O-N 3.23Å; L68-P75 HydrophobicContact CB-CB 4.03Å; L68-P75 HydrophobicContact CB-CG 3.99Å; L68-P75 HydrophobicContact CD1-CG 4.28Å; L68-L102 HydrophobicContact CD1-CD2 3.5Å; L68-L102 VanDerWaalsContact CD1-CD2 3.5Å; L68-C107 HydrophobicContact CD1-CB 3.88Å; L68-L143 HydrophobicContact CD2-CB 4.26Å; L68-L143 HydrophobicContact CD2-CD2 4.21Å
69	D	98.1	Very high	98.1	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.032	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-69.3	119	-177.8	-166.9	-15.4	0	0	0	112.3	H24 Y71 V72 P75 K144 G146	H24-D69 IonicContact CE1-OD1 2.94Å; H24-D69 IonicContact CE1-OD2 2.74Å; H24-D69 PolarHBondContact CE1-OD2 2.94Å; H24-D69 VanDerWaalsContact CE1-OD2 3.24Å; H24-D69 IonicContact ND1-OD2 3.65Å; D69-Y71 WeakPolarHBondContact OD1-CB 3.45Å; D69-Y71 WeakPolarHBondContact OD1-CD2 3.5Å; D69-Y71 PolarHBondContact OD1-N 2.87Å; D69-V72 HydrophobicContact CB-CG2 3.98Å; D69-P75 HydrophobicContact CB-CB 4.26Å; D69-P75 WeakPolarHBondContact O-CB 3.49Å; D69-K144 HydrophobicContact CB-CB 4.23Å; D69-K144 HydrophobicContact CB-CD 4.11Å; D69-K144 HydrophobicContact CB-CG 3.97Å; D69-K144 PolarHBondContact N-O 2.98Å; D69-K144 WeakPolarHBondContact OD2-CD 3.38Å; D69-G146 VanDerWaalsContact CA-CA 3.42Å
70	T	96.7	Very high	98.1	Very high	90 Å²	90	46.5 Å²	46.5	55%	0.552	23%	0.226	S	C	*	.	S	Bend	trans	-91.3	-7.6	179.6	55.2	0	0	0	0	113.5	L68 R109	L68-T70 PolarHBondContact O-N 3.23Å; T70-R109 PolarHBondContact O-NH2 3.3Å
71	Y	96.4	Very high	98.1	Very high	174 Å²	174	43.4 Å²	43.4	68%	0.682	21%	0.212	S	C	*	.	S	Bend	trans	-91.5	-6.4	-177.2	-60.6	-76.9	0	0	0	113.8	D69 V147	D69-Y71 WeakPolarHBondContact OD1-CB 3.45Å; D69-Y71 WeakPolarHBondContact OD1-CD2 3.5Å; D69-Y71 PolarHBondContact OD1-N 2.87Å; Y71-V147 HydrophobicContact CE2-CG2 3.89Å
72	V	97.3	Very high	98	Very high	42 Å²	42	45 Å²	45	26%	0.255	22%	0.221	S	C	.	.	S	Bend	trans	-105.3	157.5	177.3	-63.8	0	0	0	0	111.4	D69 S74 P75 R109 K144	D69-V72 HydrophobicContact CB-CG2 3.98Å; V72-S74 VanDerWaalsContact C-N 3.31Å; V72-S74 PolarHBondContact O-N 2.93Å; V72-P75 HydrophobicContact CG2-CB 4.12Å; V72-R109 PolarHBondContact O-NE 2.9Å; V72-R109 PolarHBondContact O-NH1 2.7Å; V72-R109 PolarHBondContact O-NH2 2.94Å; V72-K144 HydrophobicContact CG1-CD 3.94Å; V72-K144 HydrophobicContact CG2-CD 4.23Å
73	E	96.9	Very high	98	Very high	178 Å²	178	49.4 Å²	49.4	83%	0.832	25%	0.25	S	S	*	.	S	Bend	trans	-57.2	-44.3	178.1	-174.8	179.7	177.4	0	0	112.3	R109	E73-R109 VanDerWaalsContact O-CD 3.22Å; E73-R109 WeakPolarHBondContact O-CD 3.38Å; E73-R109 PolarHBondContact O-NH1 2.78Å
74	S	97.9	Very high	98	Very high	16 Å²	16	51.4 Å²	51.4	11%	0.112	27%	0.266	C	S	.	.			trans	-143.4	125.6	170.9	-173.4	0	0	0	0	111.1	V72 A76 A110	V72-S74 VanDerWaalsContact C-N 3.31Å; V72-S74 PolarHBondContact O-N 2.93Å; S74-A76 PolarHBondContact O-N 2.75Å; S74-A76 PolarHBondContact OG-N 3.41Å; S74-A76 PolarHBondContact OG-O 3.35Å; S74-A110 VanDerWaalsContact CB-O 3.28Å; S74-A110 WeakPolarHBondContact CB-O 3.36Å; S74-A110 PolarHBondContact OG-O 2.98Å
75	P	98.6	Very high	98	Very high	1 Å²	1	45 Å²	45	1%	0.006	24%	0.239	C	C	.	.	S	Bend	trans	-81	-2.2	176.1	33.5	-35.5	0	0	0	112.8	L68 D69 V72 L143 K144	L68-P75 HydrophobicContact CB-CB 4.03Å; L68-P75 HydrophobicContact CB-CG 3.99Å; L68-P75 HydrophobicContact CD1-CG 4.28Å; D69-P75 HydrophobicContact CB-CB 4.26Å; D69-P75 WeakPolarHBondContact O-CB 3.49Å; V72-P75 HydrophobicContact CG2-CB 4.12Å; P75-L143 CarbonylContact O-C 3.32Å; P75-L143 WeakPolarHBondContact O-CA 3.37Å; P75-K144 HydrophobicContact CB-CB 4.38Å; P75-K144 PolarHBondContact O-N 3.24Å
76	A	98.8	Very high	97.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.008	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	128.8	-175.8	0	0	0	0	0	110.2	S74 L102 L111 A112 L141 I142 L143	S74-A76 PolarHBondContact O-N 2.75Å; S74-A76 PolarHBondContact OG-N 3.41Å; S74-A76 PolarHBondContact OG-O 3.35Å; A76-L102 HydrophobicContact CB-CD1 3.71Å; A76-L102 HydrophobicContact CB-CD2 4.25Å; A76-L111 HydrophobicContact CB-CD2 3.66Å; A76-A112 PolarHBondContact O-N 2.67Å; A76-L141 HydrophobicContact CB-CD1 4.26Å; A76-I142 CarbonylContact C-O 3.58Å; A76-I142 VanDerWaalsContact CA-O 3.25Å; A76-I142 WeakPolarHBondContact CA-O 3.29Å; A76-L143 HydrophobicContact CB-CD2 4.02Å
77	A	98.9	Very high	97.9	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	139.2	-177.6	0	0	0	0	0	112.1	A112 L114 L141 I142	A77-A112 CarbonylContact C-O 3.54Å; A77-A112 VanDerWaalsContact CA-O 3.28Å; A77-A112 WeakPolarHBondContact CA-O 3.41Å; A77-A112 HydrophobicContact CB-CB 3.92Å; A77-L114 HydrophobicContact CB-CD1 3.87Å; A77-L114 HydrophobicContact CB-CG 4.12Å; A77-L141 CarbonylContact O-C 3.59Å; A77-L141 WeakPolarHBondContact O-CA 3.45Å; A77-I142 HydrophobicContact CB-CB 4.39Å; A77-I142 PolarHBondContact N-O 3.22Å; A77-I142 PolarHBondContact O-N 3.08Å
78	V	98.9	Very high	97.9	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	161.8	173.6	-64.5	0	0	0	0	110.3	W95 Y98 L111 A112 K113 L114 L141	V78-W95 HydrophobicContact CB-CZ2 4.43Å; V78-W95 HydrophobicContact CG2-CD2 4Å; V78-W95 HydrophobicContact CG2-CE3 4.43Å; V78-W95 HydrophobicContact CG2-CG 4.46Å; V78-W95 HydrophobicContact CG2-CH2 4.29Å; V78-W95 HydrophobicContact CG2-CZ2 3.91Å; V78-Y98 HydrophobicContact CG1-CD2 4.27Å; V78-L111 HydrophobicContact CG1-CD1 3.88Å; V78-L111 HydrophobicContact CG1-CD2 4.34Å; V78-L111 HydrophobicContact CG2-CB 4.31Å; V78-L111 HydrophobicContact CG2-CD1 4.44Å; V78-A112 PolarHBondContact N-O 2.79Å; V78-K113 HydrophobicContact CG2-CG 4.2Å; V78-L114 PolarHBondContact O-N 3.44Å; V78-L141 HydrophobicContact CG1-CD1 3.87Å
79	M	98.8	Very high	97.8	Very high	9 Å²	9	62.5 Å²	62.5	4%	0.044	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	127.7	172.5	-174.8	-179.8	-66.4	0	0	109.9	F35 W95 R116 F119 Y120 Y138	F35-M79 HydrophobicContact CE2-CE 4.44Å; M79-W95 WeakPolarHBondContact O-CZ2 3.42Å; M79-R116 HydrophobicContact CE-CG 4.17Å; M79-R116 HydrophobicContact CG-CB 4.29Å; M79-R116 HydrophobicContact SD-CB 4.07Å; M79-R116 HydrophobicContact SD-CG 3.77Å; M79-F119 HydrophobicContact CB-CB 4.42Å; M79-F119 HydrophobicContact CB-CD2 3.9Å; M79-F119 HydrophobicContact CB-CE2 4.31Å; M79-F119 HydrophobicContact CB-CG 4.05Å; M79-F119 HydrophobicContact CE-CB 4.08Å; M79-F119 HydrophobicContact CE-CD1 3.67Å; M79-F119 HydrophobicContact CE-CE1 4.35Å; M79-F119 HydrophobicContact CE-CG 3.95Å; M79-F119 HydrophobicContact CG-CB 4.38Å; M79-F119 HydrophobicContact CG-CG 4.48Å; M79-Y120 HydrophobicContact CE-CD1 4.19Å; M79-Y120 HydrophobicContact CE-CE1 3.62Å; M79-Y138 HydrophobicContact CB-CD1 4.36Å; M79-Y138 HydrophobicContact CG-CD1 4.25Å; M79-Y138 WeakPolarHBondContact O-CD1 3.44Å; M79-Y138 HydrophobicContact SD-CD1 4.47Å
80	E	98.5	Very high	97.8	Very high	63 Å²	63	64.5 Å²	64.5	29%	0.294	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-70.8	148.9	176.9	-160.3	-179	-158.7	0	0	111.7	V82 K86 K113 L114 Y138	E80-V82 PolarHBondContact O-N 3.2Å; E80-K86 WeakPolarHBondContact OE1-CE 3.37Å; E80-K86 IonicContact OE1-NZ 2.72Å; E80-K86 PolarHBondContact OE1-NZ 2.98Å; E80-K86 IonicContact OE2-NZ 3.43Å; E80-K86 PolarHBondContact OE2-NZ 3.1Å; E80-K113 HydrophobicContact CB-CB 4.11Å; E80-K113 HydrophobicContact CG-CB 4.09Å; E80-L114 VanDerWaalsContact CB-O 3.29Å; E80-L114 WeakPolarHBondContact CB-O 3.42Å; E80-L114 PolarHBondContact N-O 2.84Å; E80-Y138 VanDerWaalsContact O-CE1 3.32Å; E80-Y138 WeakPolarHBondContact O-CE1 3.33Å
81	L	98.1	Very high	97.8	Very high	17 Å²	17	67.3 Å²	67.3	9%	0.089	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-57.7	135.9	171	-75.1	75.2	0	0	0	110.9	D85 K86 L90 T92 W95 Y138	L81-D85 HydrophobicContact CB-CB 4.36Å; L81-D85 HydrophobicContact CD2-CB 4.19Å; L81-D85 HydrophobicContact CG-CB 4.46Å; L81-K86 HydrophobicContact CB-CD 4.46Å; L81-K86 HydrophobicContact CB-CG 3.58Å; L81-K86 HydrophobicContact CD2-CG 4.4Å; L81-K86 WeakPolarHBondContact O-CE 3.26Å; L81-L90 HydrophobicContact CD2-CB 3.92Å; L81-L90 HydrophobicContact CD2-CD2 4.48Å; L81-L90 WeakPolarHBondContact CD2-O 3.43Å; L81-T92 HydrophobicContact CD1-CG2 3.76Å; L81-T92 HydrophobicContact CG-CG2 4.46Å; L81-W95 HydrophobicContact CD1-CH2 3.23Å; L81-W95 HydrophobicContact CD1-CZ2 3.79Å; L81-W95 HydrophobicContact CD1-CZ3 3.91Å; L81-Y138 HydrophobicContact CG-CD2 4.47Å; L81-Y138 HydrophobicContact CG-CE2 4.25Å
82	V	97.9	Very high	97.9	Very high	36 Å²	36	60 Å²	60	22%	0.218	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-66.4	157.2	168.8	-56.9	0	0	0	0	110.5	E80 S84 D85 K86 Y138	E80-V82 PolarHBondContact O-N 3.2Å; V82-S84 VanDerWaalsContact C-N 3.29Å; V82-S84 WeakPolarHBondContact CG2-OG 3.43Å; V82-S84 PolarHBondContact O-N 3.03Å; V82-S84 VanDerWaalsContact O-N 3.17Å; V82-D85 HydrophobicContact CG2-CB 4.14Å; V82-D85 PolarHBondContact O-N 3.28Å; V82-K86 PolarHBondContact O-N 3.23Å; V82-K86 VanDerWaalsContact O-N 3.08Å; V82-Y138 PolarHBondContact N-OH 2.82Å
83	P	97.8	Very high	97.9	Very high	93 Å²	93	62.7 Å²	62.7	60%	0.604	33%	0.327	S	S	*	.	H	α-helix	trans	-51.6	-43.5	-175.7	-29.9	36.2	0	0	0	114.3	D85 K86 E87	P83-D85 VanDerWaalsContact C-N 3.31Å; P83-D85 PolarHBondContact O-N 3.35Å; P83-K86 WeakPolarHBondContact O-CB 3.45Å; P83-K86 PolarHBondContact O-N 3.01Å; P83-E87 WeakPolarHBondContact O-CG 3.25Å; P83-E87 PolarHBondContact O-N 3.4Å
84	S	97.8	Very high	98	Very high	65 Å²	65	54.6 Å²	54.6	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-63.5	-33.3	180	57.1	0	0	0	0	113.5	V82 R88	V82-S84 VanDerWaalsContact C-N 3.29Å; V82-S84 WeakPolarHBondContact CG2-OG 3.43Å; V82-S84 PolarHBondContact O-N 3.03Å; V82-S84 VanDerWaalsContact O-N 3.17Å; S84-R88 WeakPolarHBondContact O-CB 3.42Å; S84-R88 WeakPolarHBondContact O-CD 3.47Å; S84-R88 WeakPolarHBondContact O-CG 3.31Å; S84-R88 PolarHBondContact O-N 3.21Å; S84-R88 VanDerWaalsContact O-N 3.16Å
85	D	97.9	Very high	98	Very high	24 Å²	24	54.8 Å²	54.8	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-80.4	-31	178	-74	-22.6	0	0	0	111.7	L81 V82 P83 R88 G89 L90 Y138	L81-D85 HydrophobicContact CB-CB 4.36Å; L81-D85 HydrophobicContact CD2-CB 4.19Å; L81-D85 HydrophobicContact CG-CB 4.46Å; V82-D85 HydrophobicContact CG2-CB 4.14Å; V82-D85 PolarHBondContact O-N 3.28Å; P83-D85 VanDerWaalsContact C-N 3.31Å; P83-D85 PolarHBondContact O-N 3.35Å; D85-R88 PolarHBondContact O-N 2.84Å; D85-R88 IonicContact OD1-NH1 2.91Å; D85-R88 PolarHBondContact OD1-NH1 2.9Å; D85-R88 VanDerWaalsContact OD1-NH1 3.12Å; D85-G89 PolarHBondContact O-N 3.4Å; D85-L90 HydrophobicContact CB-CB 4.05Å; D85-L90 HydrophobicContact CB-CD2 3.88Å; D85-L90 WeakPolarHBondContact O-CB 3.28Å; D85-L90 PolarHBondContact O-N 3.16Å; D85-Y138 PolarHBondContact OD2-OH 3.14Å
86	K	97.1	Very high	98	Very high	98 Å²	98	59.2 Å²	59.2	43%	0.426	32%	0.315	S	S	.	.	H	α-helix	trans	-61.7	-48.4	168.8	-68.9	177	169.6	171.6	0	111	E80 L81 V82 P83 R88 G89	E80-K86 WeakPolarHBondContact OE1-CE 3.37Å; E80-K86 IonicContact OE1-NZ 2.72Å; E80-K86 PolarHBondContact OE1-NZ 2.98Å; E80-K86 IonicContact OE2-NZ 3.43Å; E80-K86 PolarHBondContact OE2-NZ 3.1Å; L81-K86 HydrophobicContact CB-CD 4.46Å; L81-K86 HydrophobicContact CB-CG 3.58Å; L81-K86 HydrophobicContact CD2-CG 4.4Å; L81-K86 WeakPolarHBondContact O-CE 3.26Å; V82-K86 PolarHBondContact O-N 3.23Å; V82-K86 VanDerWaalsContact O-N 3.08Å; P83-K86 WeakPolarHBondContact O-CB 3.45Å; P83-K86 PolarHBondContact O-N 3.01Å; K86-R88 VanDerWaalsContact C-N 3.28Å; K86-R88 PolarHBondContact O-N 3.22Å; K86-G89 PolarHBondContact O-N 3.34Å
87	E	97.5	Very high	98	Very high	166 Å²	166	63.8 Å²	63.8	78%	0.776	34%	0.336	S	S	*	.	H	α-helix	trans	-60.4	-37.5	178.1	-74.7	172.4	-170.9	0	0	112.5	P83 G89	P83-E87 WeakPolarHBondContact O-CG 3.25Å; P83-E87 PolarHBondContact O-N 3.4Å; E87-G89 PolarHBondContact O-N 2.99Å
88	R	96.9	Very high	98	Very high	191 Å²	191	63.8 Å²	63.8	72%	0.721	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-4.8	176	-70.1	169.1	65.3	-149.6	2.7	113.7	S84 D85 K86 L90	S84-R88 WeakPolarHBondContact O-CB 3.42Å; S84-R88 WeakPolarHBondContact O-CD 3.47Å; S84-R88 WeakPolarHBondContact O-CG 3.31Å; S84-R88 PolarHBondContact O-N 3.21Å; S84-R88 VanDerWaalsContact O-N 3.16Å; D85-R88 PolarHBondContact O-N 2.84Å; D85-R88 IonicContact OD1-NH1 2.91Å; D85-R88 PolarHBondContact OD1-NH1 2.9Å; D85-R88 VanDerWaalsContact OD1-NH1 3.12Å; K86-R88 VanDerWaalsContact C-N 3.28Å; K86-R88 PolarHBondContact O-N 3.22Å; R88-L90 VanDerWaalsContact C-N 3.3Å; R88-L90 PolarHBondContact O-N 2.88Å
89	G	97.3	Very high	98	Very high	42 Å²	42	67.7 Å²	67.7	43%	0.433	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	32.2	-178.1	0	0	0	0	0	113.2	D85 K86 E87 Q91	D85-G89 PolarHBondContact O-N 3.4Å; K86-G89 PolarHBondContact O-N 3.34Å; E87-G89 PolarHBondContact O-N 2.99Å; G89-Q91 PolarHBondContact O-N 3.31Å; G89-Q91 PolarHBondContact O-NE2 2.9Å
90	L	97.6	Very high	98	Very high	48 Å²	48	70 Å²	70	25%	0.251	37%	0.371	S	S	.	.			trans	-57.9	134.5	177.6	-176.7	69.9	0	0	0	110	L81 D85 R88 L137 Y138	L81-L90 HydrophobicContact CD2-CB 3.92Å; L81-L90 HydrophobicContact CD2-CD2 4.48Å; L81-L90 WeakPolarHBondContact CD2-O 3.43Å; D85-L90 HydrophobicContact CB-CB 4.05Å; D85-L90 HydrophobicContact CB-CD2 3.88Å; D85-L90 WeakPolarHBondContact O-CB 3.28Å; D85-L90 PolarHBondContact O-N 3.16Å; R88-L90 VanDerWaalsContact C-N 3.3Å; R88-L90 PolarHBondContact O-N 2.88Å; L90-L137 HydrophobicContact CD1-CD1 4.45Å; L90-L137 HydrophobicContact CD2-CD1 4.34Å; L90-Y138 HydrophobicContact CD2-CD2 4.06Å; L90-Y138 HydrophobicContact CD2-CE2 3.61Å
91	Q	97.5	Very high	98	Very high	149 Å²	149	67.2 Å²	67.2	70%	0.696	36%	0.359	S	S	*	.			trans	-97.9	146	179.3	-58.8	-58.7	-59.2	0	0	110.8	G89 P93	G89-Q91 PolarHBondContact O-N 3.31Å; G89-Q91 PolarHBondContact O-NE2 2.9Å; Q91-P93 VanDerWaalsContact C-CD 3.43Å; Q91-P93 WeakPolarHBondContact O-CD 3.34Å
92	T	97.8	Very high	98	Very high	21 Å²	21	66.5 Å²	66.5	13%	0.129	36%	0.355	C	S	.	.			trans	-122.9	66.1	178.5	46.8	0	0	0	0	111.1	L81 V94 W95 Y138	L81-T92 HydrophobicContact CD1-CG2 3.76Å; L81-T92 HydrophobicContact CG-CG2 4.46Å; T92-V94 PolarHBondContact O-N 3.27Å; T92-V94 VanDerWaalsContact O-N 3.1Å; T92-W95 HydrophobicContact CG2-CD2 4.25Å; T92-W95 HydrophobicContact CG2-CH2 4.29Å; T92-W95 HydrophobicContact CG2-CZ2 3.83Å; T92-W95 WeakPolarHBondContact O-CB 3.48Å; T92-W95 PolarHBondContact O-N 3.14Å; T92-W95 WeakPolarHBondContact OG1-CZ3 3.44Å; T92-Y138 HydrophobicContact CG2-CD2 4.2Å; T92-Y138 HydrophobicContact CG2-CG 4.33Å
93	P	97.9	Very high	98	Very high	98 Å²	98	70.5 Å²	70.5	64%	0.636	37%	0.371	S	S	*	.	H	α-helix	trans	-59.1	-27.2	-175.5	24.5	-34.7	0	0	0	113.4	Q91 W95 T96 E97	Q91-P93 VanDerWaalsContact C-CD 3.43Å; Q91-P93 WeakPolarHBondContact O-CD 3.34Å; P93-W95 PolarHBondContact O-N 3.41Å; P93-T96 PolarHBondContact O-N 3.46Å; P93-T96 VanDerWaalsContact O-N 3.16Å; P93-E97 PolarHBondContact O-N 3.11Å
94	V	98.5	Very high	98	Very high	8 Å²	8	73.1 Å²	73.1	5%	0.048	37%	0.368	C	S	.	.	H	α-helix	trans	-60	-28.4	176.8	74.7	0	0	0	0	112.5	T92 E97 Y98 A136	T92-V94 PolarHBondContact O-N 3.27Å; T92-V94 VanDerWaalsContact O-N 3.1Å; V94-E97 WeakPolarHBondContact O-CB 3.27Å; V94-E97 PolarHBondContact O-N 3.01Å; V94-Y98 HydrophobicContact CG1-CE2 4.43Å; V94-Y98 HydrophobicContact CG2-CD1 4.3Å; V94-Y98 HydrophobicContact CG2-CE1 3.55Å; V94-Y98 HydrophobicContact CG2-CE2 4.09Å; V94-Y98 VanDerWaalsContact CG2-CZ 3.42Å; V94-Y98 WeakPolarHBondContact CG2-OH 3.46Å; V94-Y98 WeakPolarHBondContact O-CD1 3.28Å; V94-Y98 VanDerWaalsContact O-CG 3.29Å; V94-Y98 PolarHBondContact O-N 3.46Å; V94-A136 HydrophobicContact CB-CB 3.79Å; V94-A136 HydrophobicContact CG1-CB 3.92Å; V94-A136 HydrophobicContact CG2-CB 3.93Å
95	W	98.6	Very high	98	Very high	20 Å²	20	72.6 Å²	72.6	8%	0.076	37%	0.368	C	S	.	.	H	α-helix	trans	-67.1	-40.8	176.9	-63.6	-3.3	0	0	0	112.1	V78 M79 L81 T92 P93 E97 Y98 E99 L111 K113 Y138	V78-W95 HydrophobicContact CB-CZ2 4.43Å; V78-W95 HydrophobicContact CG2-CD2 4Å; V78-W95 HydrophobicContact CG2-CE3 4.43Å; V78-W95 HydrophobicContact CG2-CG 4.46Å; V78-W95 HydrophobicContact CG2-CH2 4.29Å; V78-W95 HydrophobicContact CG2-CZ2 3.91Å; M79-W95 WeakPolarHBondContact O-CZ2 3.42Å; L81-W95 HydrophobicContact CD1-CH2 3.23Å; L81-W95 HydrophobicContact CD1-CZ2 3.79Å; L81-W95 HydrophobicContact CD1-CZ3 3.91Å; T92-W95 HydrophobicContact CG2-CD2 4.25Å; T92-W95 HydrophobicContact CG2-CH2 4.29Å; T92-W95 HydrophobicContact CG2-CZ2 3.83Å; T92-W95 WeakPolarHBondContact O-CB 3.48Å; T92-W95 PolarHBondContact O-N 3.14Å; T92-W95 WeakPolarHBondContact OG1-CZ3 3.44Å; P93-W95 PolarHBondContact O-N 3.41Å; W95-E97 PolarHBondContact O-N 3.08Å; W95-Y98 PolarHBondContact O-N 2.88Å; W95-E99 WeakPolarHBondContact O-CG 3.45Å; W95-E99 PolarHBondContact O-N 3.33Å; W95-L111 HydrophobicContact CB-CD1 4.03Å; W95-L111 HydrophobicContact CG-CD1 4.46Å; W95-K113 HydrophobicContact CZ3-CD 4.1Å; W95-K113 HydrophobicContact CZ3-CG 4.47Å; W95-Y138 PolarHBondContact NE1-O 3.21Å
96	T	98.4	Very high	97.8	Very high	95 Å²	95	74.6 Å²	74.6	58%	0.583	39%	0.394	S	S	*	.	H	α-helix	trans	-63.4	-35.8	175.7	-54.9	0	0	0	0	111.1	P93 S100	P93-T96 PolarHBondContact O-N 3.46Å; P93-T96 VanDerWaalsContact O-N 3.16Å; T96-S100 WeakPolarHBondContact O-CB 3.37Å; T96-S100 PolarHBondContact O-N 3.34Å
97	E	98.6	Very high	97.8	Very high	97 Å²	97	70.7 Å²	70.7	45%	0.453	38%	0.379	S	S	.	.	H	α-helix	trans	-65.7	-44.6	174.1	-171.6	170.9	-170.6	0	0	111.6	P56 P93 V94 W95 S100 I101	P56-E97 HydrophobicContact CB-CG 4.14Å; P56-E97 VanDerWaalsContact CB-OE1 3.29Å; P56-E97 WeakPolarHBondContact CB-OE1 3.26Å; P56-E97 HydrophobicContact CG-CG 4.24Å; P93-E97 PolarHBondContact O-N 3.11Å; V94-E97 WeakPolarHBondContact O-CB 3.27Å; V94-E97 PolarHBondContact O-N 3.01Å; W95-E97 PolarHBondContact O-N 3.08Å; E97-S100 WeakPolarHBondContact O-CB 3.44Å; E97-S100 PolarHBondContact O-N 2.77Å; E97-I101 HydrophobicContact CG-CD1 4.05Å; E97-I101 WeakPolarHBondContact O-CG1 3.22Å; E97-I101 PolarHBondContact O-N 3.01Å
98	Y	98.8	Very high	97.6	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-60.6	-46	174.6	-62.5	-15.3	0	0	0	112.4	I55 P56 L59 V78 V94 W95 S100 I101 L102 G139 L141	I55-Y98 HydrophobicContact CB-CE1 4.06Å; I55-Y98 VanDerWaalsContact CB-OH 3.25Å; I55-Y98 WeakPolarHBondContact CB-OH 3.46Å; I55-Y98 HydrophobicContact CG2-CD1 4.45Å; I55-Y98 HydrophobicContact CG2-CE1 3.49Å; I55-Y98 VanDerWaalsContact CG2-CE1 3.49Å; I55-Y98 HydrophobicContact CG2-CE2 4.43Å; I55-Y98 VanDerWaalsContact CG2-CZ 3.47Å; I55-Y98 WeakPolarHBondContact CG2-OH 3.4Å; P56-Y98 HydrophobicContact CG-CE1 3.98Å; L59-Y98 HydrophobicContact CD2-CD1 3.88Å; L59-Y98 HydrophobicContact CD2-CG 4.2Å; V78-Y98 HydrophobicContact CG1-CD2 4.27Å; V94-Y98 HydrophobicContact CG1-CE2 4.43Å; V94-Y98 HydrophobicContact CG2-CD1 4.3Å; V94-Y98 HydrophobicContact CG2-CE1 3.55Å; V94-Y98 HydrophobicContact CG2-CE2 4.09Å; V94-Y98 VanDerWaalsContact CG2-CZ 3.42Å; V94-Y98 WeakPolarHBondContact CG2-OH 3.46Å; V94-Y98 WeakPolarHBondContact O-CD1 3.28Å; V94-Y98 VanDerWaalsContact O-CG 3.29Å; V94-Y98 PolarHBondContact O-N 3.46Å; W95-Y98 PolarHBondContact O-N 2.88Å; Y98-S100 VanDerWaalsContact C-N 3.29Å; Y98-S100 PolarHBondContact O-N 3.28Å; Y98-I101 PolarHBondContact O-N 3.12Å; Y98-L102 WeakPolarHBondContact O-CB 3.32Å; Y98-L102 VanDerWaalsContact O-CG 3.25Å; Y98-L102 WeakPolarHBondContact O-CG 3.24Å; Y98-L102 PolarHBondContact O-N 3.1Å; Y98-G139 VanDerWaalsContact CE2-O 3.26Å; Y98-G139 WeakPolarHBondContact CE2-O 3.16Å; Y98-G139 PolarHBondContact OH-O 3.37Å; Y98-L141 HydrophobicContact CD2-CB 4.41Å; Y98-L141 HydrophobicContact CD2-CD1 4.27Å; Y98-L141 HydrophobicContact CD2-CD2 4.1Å; Y98-L141 HydrophobicContact CE2-CB 4.12Å; Y98-L141 HydrophobicContact CE2-CD2 4.42Å; Y98-L141 HydrophobicContact CG-CD2 4.23Å
99	E	98.6	Very high	97.5	Very high	82 Å²	82	63.9 Å²	63.9	38%	0.383	36%	0.359	S	S	.	.	H	α-helix	trans	-58.9	-41.9	175.7	-73.8	178.7	160.3	0	0	111.4	W95 I101 L102 H103 L111	W95-E99 WeakPolarHBondContact O-CG 3.45Å; W95-E99 PolarHBondContact O-N 3.33Å; E99-I101 PolarHBondContact O-N 2.77Å; E99-L102 PolarHBondContact O-N 3.22Å; E99-H103 VanDerWaalsContact O-CB 3.28Å; E99-H103 WeakPolarHBondContact O-CB 3.47Å; E99-H103 PolarHBondContact O-N 3.3Å; E99-L111 HydrophobicContact CG-CD1 3.74Å; E99-L111 HydrophobicContact CG-CG 3.78Å
100	S	98.5	Very high	97.5	Very high	57 Å²	57	65.1 Å²	65.1	40%	0.399	37%	0.366	S	S	.	.	H	α-helix	trans	-62	-43.3	176.3	-168.8	0	0	0	0	112.2	T96 E97 Y98 R104	T96-S100 WeakPolarHBondContact O-CB 3.37Å; T96-S100 PolarHBondContact O-N 3.34Å; E97-S100 WeakPolarHBondContact O-CB 3.44Å; E97-S100 PolarHBondContact O-N 2.77Å; Y98-S100 VanDerWaalsContact C-N 3.29Å; Y98-S100 PolarHBondContact O-N 3.28Å; S100-R104 WeakPolarHBondContact O-CG 3.3Å; S100-R104 PolarHBondContact O-N 3.18Å; S100-R104 VanDerWaalsContact O-N 3.09Å; S100-R104 PolarHBondContact O-NH1 2.87Å; S100-R104 PolarHBondContact OG-NH1 2.73Å
101	I	98.8	Very high	97.5	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.026	36%	0.357	C	S	.	.	H	α-helix	trans	-66.3	-46.9	177.3	-69.2	162.3	0	0	0	111	P56 L59 E60 L63 E97 Y98 E99 H103 R104 A105	P56-I101 HydrophobicContact CB-CD1 3.82Å; L59-I101 HydrophobicContact CB-CG2 4.44Å; L59-I101 HydrophobicContact CD2-CB 4.04Å; L59-I101 HydrophobicContact CD2-CD1 4.18Å; L59-I101 HydrophobicContact CD2-CG2 3.76Å; L59-I101 HydrophobicContact CG-CG2 3.72Å; E60-I101 HydrophobicContact CG-CB 4.39Å; E60-I101 HydrophobicContact CG-CD1 3.95Å; E60-I101 HydrophobicContact CG-CG1 3.81Å; E60-I101 HydrophobicContact CG-CG2 3.67Å; L63-I101 HydrophobicContact CD1-CG2 3.83Å; E97-I101 HydrophobicContact CG-CD1 4.05Å; E97-I101 WeakPolarHBondContact O-CG1 3.22Å; E97-I101 PolarHBondContact O-N 3.01Å; Y98-I101 PolarHBondContact O-N 3.12Å; E99-I101 PolarHBondContact O-N 2.77Å; I101-H103 VanDerWaalsContact C-N 3.32Å; I101-H103 PolarHBondContact O-N 3.12Å; I101-R104 VanDerWaalsContact CG1-NH2 3.26Å; I101-R104 PolarHBondContact O-N 3.45Å; I101-A105 PolarHBondContact O-N 3.33Å
102	L	98.6	Very high	97.6	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.005	34%	0.336	C	S	.	.	H	α-helix	trans	-58.9	-43.9	177	-74	166.2	0	0	0	111.3	L63 L68 A76 Y98 E99 R104 A105 G106 C107 L111 L143	L63-L102 HydrophobicContact CD1-CD2 3.89Å; L63-L102 HydrophobicContact CD2-CD2 4.45Å; L68-L102 HydrophobicContact CD1-CD2 3.5Å; L68-L102 VanDerWaalsContact CD1-CD2 3.5Å; A76-L102 HydrophobicContact CB-CD1 3.71Å; A76-L102 HydrophobicContact CB-CD2 4.25Å; Y98-L102 WeakPolarHBondContact O-CB 3.32Å; Y98-L102 VanDerWaalsContact O-CG 3.25Å; Y98-L102 WeakPolarHBondContact O-CG 3.24Å; Y98-L102 PolarHBondContact O-N 3.1Å; E99-L102 PolarHBondContact O-N 3.22Å; L102-R104 PolarHBondContact O-N 2.78Å; L102-A105 CarbonylContact O-C 3.55Å; L102-A105 WeakPolarHBondContact O-CA 3.46Å; L102-A105 WeakPolarHBondContact O-CB 3.28Å; L102-A105 PolarHBondContact O-N 2.86Å; L102-A105 VanDerWaalsContact O-N 3.09Å; L102-G106 PolarHBondContact O-N 2.82Å; L102-C107 CarbonylContact C-O 3.45Å; L102-C107 VanDerWaalsContact C-O 3.32Å; L102-C107 HydrophobicContact CB-CB 4.2Å; L102-C107 HydrophobicContact CD2-CB 4.45Å; L102-C107 WeakPolarHBondContact O-CB 3.25Å; L102-C107 PolarHBondContact O-N 2.78Å; L102-L111 HydrophobicContact CD1-CD2 3.56Å; L102-L111 HydrophobicContact CD1-CG 4.45Å; L102-L143 HydrophobicContact CD2-CD2 4.32Å
103	H	98.1	Very high	97.6	Very high	120 Å²	120	62.4 Å²	62.4	56%	0.556	35%	0.354	S	S	*	.	H	α-helix	trans	-61.5	-44.7	176.6	-176.6	-79.9	0	0	0	111.8	E99 I101 A105 G106 C107	E99-H103 VanDerWaalsContact O-CB 3.28Å; E99-H103 WeakPolarHBondContact O-CB 3.47Å; E99-H103 PolarHBondContact O-N 3.3Å; I101-H103 VanDerWaalsContact C-N 3.32Å; I101-H103 PolarHBondContact O-N 3.12Å; H103-A105 PolarHBondContact O-N 2.96Å; H103-G106 PolarHBondContact O-N 2.85Å; H103-C107 VanDerWaalsContact CA-O 3.31Å; H103-C107 WeakPolarHBondContact CA-O 3.47Å; H103-C107 PolarHBondContact N-O 2.81Å
104	R	98	Very high	97.7	Very high	148 Å²	148	58.4 Å²	58.4	56%	0.558	33%	0.327	S	S	*	.	H	α-helix	trans	-61.5	-28.6	174.5	-73.5	-166.8	-61	-82.3	11.3	112.8	E60 S100 I101 L102 G106	E60-R104 IonicContact OE1-CZ 3.63Å; E60-R104 IonicContact OE1-NH2 3.64Å; E60-R104 PolarHBondContact OE1-NH2 3.05Å; S100-R104 WeakPolarHBondContact O-CG 3.3Å; S100-R104 PolarHBondContact O-N 3.18Å; S100-R104 VanDerWaalsContact O-N 3.09Å; S100-R104 PolarHBondContact O-NH1 2.87Å; S100-R104 PolarHBondContact OG-NH1 2.73Å; I101-R104 VanDerWaalsContact CG1-NH2 3.26Å; I101-R104 PolarHBondContact O-N 3.45Å; L102-R104 PolarHBondContact O-N 2.78Å; R104-G106 VanDerWaalsContact C-N 3.27Å
105	A	96.6	Very high	97.7	Very high	55 Å²	55	62.1 Å²	62.1	46%	0.455	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	4.6	174.4	0	0	0	0	0	113.8	L63 I101 L102 H103	L63-A105 HydrophobicContact CB-CB 3.88Å; L63-A105 HydrophobicContact CD1-CB 3.71Å; L63-A105 HydrophobicContact CG-CB 4.34Å; I101-A105 PolarHBondContact O-N 3.33Å; L102-A105 CarbonylContact O-C 3.55Å; L102-A105 WeakPolarHBondContact O-CA 3.46Å; L102-A105 WeakPolarHBondContact O-CB 3.28Å; L102-A105 PolarHBondContact O-N 2.86Å; L102-A105 VanDerWaalsContact O-N 3.09Å; H103-A105 PolarHBondContact O-N 2.96Å
106	G	94.9	Very high	97.7	Very high	65 Å²	65	66.1 Å²	66.1	67%	0.67	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	8.4	177.9	0	0	0	0	0	115	L102 H103 R104	L102-G106 PolarHBondContact O-N 2.82Å; H103-G106 PolarHBondContact O-N 2.85Å; R104-G106 VanDerWaalsContact C-N 3.27Å
107	C	95.7	Very high	97.7	Very high	16 Å²	16	67.7 Å²	67.7	11%	0.108	36%	0.358	C	S	.	.			trans	-96.1	107	173.3	-171.7	0	0	0	0	110.3	L68 L102 H103	L68-C107 HydrophobicContact CD1-CB 3.88Å; L102-C107 CarbonylContact C-O 3.45Å; L102-C107 VanDerWaalsContact C-O 3.32Å; L102-C107 HydrophobicContact CB-CB 4.2Å; L102-C107 HydrophobicContact CD2-CB 4.45Å; L102-C107 WeakPolarHBondContact O-CB 3.25Å; L102-C107 PolarHBondContact O-N 2.78Å; H103-C107 VanDerWaalsContact CA-O 3.31Å; H103-C107 WeakPolarHBondContact CA-O 3.47Å; H103-C107 PolarHBondContact N-O 2.81Å
108	T	93.3	Very high	97.7	Very high	116 Å²	116	68.2 Å²	68.2	71%	0.712	36%	0.36	S	S	*	.			trans	-95.1	3.1	179.5	56.5	0	0	0	0	113.6
109	R	95.4	Very high	97.7	Very high	98 Å²	98	68.2 Å²	68.2	37%	0.37	36%	0.36	S	S	.	.	S	Bend	trans	-76.8	136.8	178.8	-66.3	168.3	176.8	-83.1	10	109.4	T70 V72 E73	T70-R109 PolarHBondContact O-NH2 3.3Å; V72-R109 PolarHBondContact O-NE 2.9Å; V72-R109 PolarHBondContact O-NH1 2.7Å; V72-R109 PolarHBondContact O-NH2 2.94Å; E73-R109 VanDerWaalsContact O-CD 3.22Å; E73-R109 WeakPolarHBondContact O-CD 3.38Å; E73-R109 PolarHBondContact O-NH1 2.78Å
110	A	97	Very high	97.7	Very high	69 Å²	69	66 Å²	66	57%	0.57	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-65.7	154.6	176.3	0	0	0	0	0	111.4	S74 A112	S74-A110 VanDerWaalsContact CB-O 3.28Å; S74-A110 WeakPolarHBondContact CB-O 3.36Å; S74-A110 PolarHBondContact OG-O 2.98Å; A110-A112 PolarHBondContact O-N 2.94Å
111	L	98.6	Very high	97.7	Very high	14 Å²	14	67.7 Å²	67.7	7%	0.073	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-63.2	128	173.7	-68.7	172.4	0	0	0	110.4	A76 V78 W95 E99 L102 L141	A76-L111 HydrophobicContact CB-CD2 3.66Å; V78-L111 HydrophobicContact CG1-CD1 3.88Å; V78-L111 HydrophobicContact CG1-CD2 4.34Å; V78-L111 HydrophobicContact CG2-CB 4.31Å; V78-L111 HydrophobicContact CG2-CD1 4.44Å; W95-L111 HydrophobicContact CB-CD1 4.03Å; W95-L111 HydrophobicContact CG-CD1 4.46Å; E99-L111 HydrophobicContact CG-CD1 3.74Å; E99-L111 HydrophobicContact CG-CG 3.78Å; L102-L111 HydrophobicContact CD1-CD2 3.56Å; L102-L111 HydrophobicContact CD1-CG 4.45Å; L111-L141 HydrophobicContact CD2-CD1 3.89Å
112	A	98.6	Very high	97.7	Very high	29 Å²	29	70.4 Å²	70.4	24%	0.24	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	140.7	165.8	0	0	0	0	0	109.6	A76 A77 V78 A110	A76-A112 PolarHBondContact O-N 2.67Å; A77-A112 CarbonylContact C-O 3.54Å; A77-A112 VanDerWaalsContact CA-O 3.28Å; A77-A112 WeakPolarHBondContact CA-O 3.41Å; A77-A112 HydrophobicContact CB-CB 3.92Å; V78-A112 PolarHBondContact N-O 2.79Å; A110-A112 PolarHBondContact O-N 2.94Å
113	K	98.6	Very high	97.7	Very high	117 Å²	117	70.3 Å²	70.3	51%	0.509	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.3	176.1	-64.2	175.1	-173.9	173.2	0	108	V78 E80 W95	V78-K113 HydrophobicContact CG2-CG 4.2Å; E80-K113 HydrophobicContact CB-CB 4.11Å; E80-K113 HydrophobicContact CG-CB 4.09Å; W95-K113 HydrophobicContact CZ3-CD 4.1Å; W95-K113 HydrophobicContact CZ3-CG 4.47Å
114	L	98.7	Very high	97.7	Very high	14 Å²	14	67.8 Å²	67.8	7%	0.073	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	142.1	-178.9	-55.8	179	0	0	0	110.1	A77 V78 E80 F119	A77-L114 HydrophobicContact CB-CD1 3.87Å; A77-L114 HydrophobicContact CB-CG 4.12Å; V78-L114 PolarHBondContact O-N 3.44Å; E80-L114 VanDerWaalsContact CB-O 3.29Å; E80-L114 WeakPolarHBondContact CB-O 3.42Å; E80-L114 PolarHBondContact N-O 2.84Å; L114-F119 HydrophobicContact CB-CB 4.17Å; L114-F119 HydrophobicContact CB-CD2 4.37Å; L114-F119 HydrophobicContact CD1-CD2 4.21Å
115	E	98.6	Very high	97.8	Very high	86 Å²	86	68.9 Å²	68.9	40%	0.402	36%	0.356	S	S	.	.			trans	-56.5	149.3	169.2	-169.1	-74.1	133.3	0	0	109.6	F117 E118 F119	E115-F117 VanDerWaalsContact CD-N 3.35Å; E115-F117 PolarHBondContact O-N 3.36Å; E115-F117 WeakPolarHBondContact OE1-CD2 3.45Å; E115-F117 PolarHBondContact OE1-N 3.48Å; E115-F117 WeakPolarHBondContact OE2-CA 3.4Å; E115-F117 WeakPolarHBondContact OE2-CB 3.5Å; E115-F117 PolarHBondContact OE2-N 3.19Å; E115-E118 HydrophobicContact CB-CB 4.24Å; E115-E118 WeakPolarHBondContact O-CB 3.45Å; E115-E118 PolarHBondContact O-N 3.45Å; E115-E118 VanDerWaalsContact O-N 3.14Å; E115-E118 PolarHBondContact OE2-N 3.24Å; E115-F119 PolarHBondContact O-N 2.63Å
116	R	98.4	Very high	97.9	Very high	105 Å²	105	66.6 Å²	66.6	40%	0.396	34%	0.337	S	S	.	.	H	α-helix	trans	-52.1	-47.2	-172.6	174.1	175.8	-179.7	-162.6	-0.8	113.9	M79 F119 Y120	M79-R116 HydrophobicContact CE-CG 4.17Å; M79-R116 HydrophobicContact CG-CB 4.29Å; M79-R116 HydrophobicContact SD-CB 4.07Å; M79-R116 HydrophobicContact SD-CG 3.77Å; R116-F119 WeakPolarHBondContact O-CB 3.22Å; R116-F119 PolarHBondContact O-N 2.87Å; R116-Y120 HydrophobicContact CG-CD2 4.27Å; R116-Y120 HydrophobicContact CG-CE2 3.64Å; R116-Y120 PolarHBondContact NE-OH 2.8Å; R116-Y120 PolarHBondContact NH2-OH 3.28Å; R116-Y120 WeakPolarHBondContact O-CD2 3.32Å; R116-Y120 PolarHBondContact O-N 3.29Å
117	F	98.3	Very high	98.1	Very high	128 Å²	128	65.5 Å²	65.5	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-76.2	-34.5	-179.8	-62.5	-73.9	0	0	0	111.9	E115 F119 Y120 E121	E115-F117 VanDerWaalsContact CD-N 3.35Å; E115-F117 PolarHBondContact O-N 3.36Å; E115-F117 WeakPolarHBondContact OE1-CD2 3.45Å; E115-F117 PolarHBondContact OE1-N 3.48Å; E115-F117 WeakPolarHBondContact OE2-CA 3.4Å; E115-F117 WeakPolarHBondContact OE2-CB 3.5Å; E115-F117 PolarHBondContact OE2-N 3.19Å; F117-F119 VanDerWaalsContact C-N 3.29Å; F117-F119 PolarHBondContact O-N 2.89Å; F117-Y120 HydrophobicContact CD1-CD2 4.06Å; F117-Y120 HydrophobicContact CD1-CE2 4.5Å; F117-Y120 PolarHBondContact O-N 2.97Å; F117-E121 WeakPolarHBondContact O-CG 3.34Å; F117-E121 PolarHBondContact O-N 3.17Å
118	E	98.8	Very high	98.2	Very high	107 Å²	107	64.8 Å²	64.8	50%	0.5	31%	0.309	S	S	.	.	H	α-helix	trans	-58.7	-42.3	169.9	-173.4	-177.2	-177.3	0	0	111.7	E115 Y120 E121 R122	E115-E118 HydrophobicContact CB-CB 4.24Å; E115-E118 WeakPolarHBondContact O-CB 3.45Å; E115-E118 PolarHBondContact O-N 3.45Å; E115-E118 VanDerWaalsContact O-N 3.14Å; E115-E118 PolarHBondContact OE2-N 3.24Å; E118-Y120 PolarHBondContact O-N 3.25Å; E118-E121 PolarHBondContact O-N 3.03Å; E118-R122 WeakPolarHBondContact O-CB 3.32Å; E118-R122 PolarHBondContact O-N 3.38Å
119	F	98.9	Very high	98.5	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-44.9	174.5	-170.1	-78.5	0	0	0	111.3	V29 F35 M79 L114 E115 R116 F117 R122 A123 N140 I142	V29-F119 HydrophobicContact CG1-CE1 4.35Å; V29-F119 HydrophobicContact CG1-CZ 4.42Å; F35-F119 HydrophobicContact CD2-CE1 4.44Å; F35-F119 AromaticContact CE2-CD1 3.91Å; F35-F119 HydrophobicContact CE2-CD1 3.91Å; F35-F119 AromaticContact CE2-CE1 3.61Å; F35-F119 HydrophobicContact CE2-CE1 3.61Å; F35-F119 HydrophobicContact CZ-CE1 4.16Å; M79-F119 HydrophobicContact CB-CB 4.42Å; M79-F119 HydrophobicContact CB-CD2 3.9Å; M79-F119 HydrophobicContact CB-CE2 4.31Å; M79-F119 HydrophobicContact CB-CG 4.05Å; M79-F119 HydrophobicContact CE-CB 4.08Å; M79-F119 HydrophobicContact CE-CD1 3.67Å; M79-F119 HydrophobicContact CE-CE1 4.35Å; M79-F119 HydrophobicContact CE-CG 3.95Å; M79-F119 HydrophobicContact CG-CB 4.38Å; M79-F119 HydrophobicContact CG-CG 4.48Å; L114-F119 HydrophobicContact CB-CB 4.17Å; L114-F119 HydrophobicContact CB-CD2 4.37Å; L114-F119 HydrophobicContact CD1-CD2 4.21Å; E115-F119 PolarHBondContact O-N 2.63Å; R116-F119 WeakPolarHBondContact O-CB 3.22Å; R116-F119 PolarHBondContact O-N 2.87Å; F117-F119 VanDerWaalsContact C-N 3.29Å; F117-F119 PolarHBondContact O-N 2.89Å; F119-R122 PolarHBondContact O-N 2.85Å; F119-A123 VanDerWaalsContact O-CB 3.32Å; F119-A123 WeakPolarHBondContact O-CB 3.49Å; F119-A123 PolarHBondContact O-N 2.93Å; F119-N140 HydrophobicContact CE1-CB 3.75Å; F119-N140 HydrophobicContact CE2-CB 4.3Å; F119-N140 HydrophobicContact CZ-CB 3.45Å; F119-N140 VanDerWaalsContact CZ-CB 3.45Å; F119-I142 HydrophobicContact CD1-CD1 4.37Å; F119-I142 HydrophobicContact CD2-CD1 3.99Å; F119-I142 HydrophobicContact CD2-CG1 4.45Å; F119-I142 HydrophobicContact CE1-CD1 4.1Å; F119-I142 HydrophobicContact CE1-CG1 4.18Å; F119-I142 HydrophobicContact CE2-CD1 3.7Å; F119-I142 HydrophobicContact CE2-CG1 3.66Å; F119-I142 HydrophobicContact CG-CD1 4.32Å; F119-I142 HydrophobicContact CZ-CD1 3.75Å; F119-I142 HydrophobicContact CZ-CG1 3.5Å; F119-I142 VanDerWaalsContact CZ-CG1 3.5Å
120	Y	98.8	Very high	98.7	Very high	35 Å²	35	54.6 Å²	54.6	14%	0.137	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-42.4	176.1	-66	-38.4	0	0	0	112.5	F35 P36 I40 M79 R116 F117 E118 R122 A123 K124	F35-Y120 HydrophobicContact CD2-CE1 4.03Å; F35-Y120 AromaticContact CE2-CD1 3.67Å; F35-Y120 HydrophobicContact CE2-CD1 3.67Å; F35-Y120 AromaticContact CE2-CE1 3.53Å; F35-Y120 HydrophobicContact CE2-CE1 3.53Å; F35-Y120 HydrophobicContact CZ-CD1 4.01Å; F35-Y120 HydrophobicContact CZ-CE1 4.22Å; P36-Y120 HydrophobicContact CG-CD1 4.5Å; P36-Y120 HydrophobicContact CG-CE1 3.89Å; I40-Y120 HydrophobicContact CD1-CD1 4.13Å; I40-Y120 HydrophobicContact CD1-CG 4.35Å; M79-Y120 HydrophobicContact CE-CD1 4.19Å; M79-Y120 HydrophobicContact CE-CE1 3.62Å; R116-Y120 HydrophobicContact CG-CD2 4.27Å; R116-Y120 HydrophobicContact CG-CE2 3.64Å; R116-Y120 PolarHBondContact NE-OH 2.8Å; R116-Y120 PolarHBondContact NH2-OH 3.28Å; R116-Y120 WeakPolarHBondContact O-CD2 3.32Å; R116-Y120 PolarHBondContact O-N 3.29Å; F117-Y120 HydrophobicContact CD1-CD2 4.06Å; F117-Y120 HydrophobicContact CD1-CE2 4.5Å; F117-Y120 PolarHBondContact O-N 2.97Å; E118-Y120 PolarHBondContact O-N 3.25Å; Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 3.43Å; Y120-A123 PolarHBondContact O-N 3.19Å; Y120-K124 VanDerWaalsContact O-CG 3.32Å; Y120-K124 WeakPolarHBondContact O-CG 3.48Å; Y120-K124 PolarHBondContact O-N 3.47Å
121	E	98.8	Very high	98.8	Very high	93 Å²	93	51.7 Å²	51.7	44%	0.435	23%	0.234	S	C	.	.	H	α-helix	trans	-63.5	-35.9	176.9	-73	-53.8	122.9	0	0	112.5	F117 E118 K124	F117-E121 WeakPolarHBondContact O-CG 3.34Å; F117-E121 PolarHBondContact O-N 3.17Å; E118-E121 PolarHBondContact O-N 3.03Å; E121-K124 IonicContact OE1-NZ 3.79Å; E121-K124 PolarHBondContact OE1-NZ 2.62Å
122	R	98.8	Very high	98.8	Very high	62 Å²	62	51.4 Å²	51.4	23%	0.234	23%	0.233	C	C	.	.	H	α-helix	trans	-69.5	-43.8	172.7	-168.4	172.2	-179.8	175.6	-3.1	111.7	E27 E118 F119 Y120 K124 K125 A126 I142	E27-R122 IonicContact OE1-CZ 3.57Å; E27-R122 IonicContact OE1-NE 2.69Å; E27-R122 PolarHBondContact OE1-NE 3.23Å; E27-R122 IonicContact OE1-NH2 3.12Å; E27-R122 PolarHBondContact OE1-NH2 3.48Å; E27-R122 VanDerWaalsContact OE2-CG 3.3Å; E27-R122 WeakPolarHBondContact OE2-CG 3.44Å; E27-R122 IonicContact OE2-CZ 2.7Å; E27-R122 IonicContact OE2-NE 3.78Å; E27-R122 PolarHBondContact OE2-NE 3.45Å; E27-R122 IonicContact OE2-NH2 3.3Å; E118-R122 WeakPolarHBondContact O-CB 3.32Å; E118-R122 PolarHBondContact O-N 3.38Å; F119-R122 PolarHBondContact O-N 2.85Å; Y120-R122 VanDerWaalsContact C-N 3.29Å; Y120-R122 PolarHBondContact O-N 3.43Å; R122-K124 VanDerWaalsContact C-N 3.33Å; R122-K124 PolarHBondContact O-N 3.12Å; R122-K125 PolarHBondContact O-N 3.3Å; R122-A126 PolarHBondContact O-N 3.46Å; R122-I142 HydrophobicContact CB-CD1 4.05Å; R122-I142 HydrophobicContact CG-CD1 3.89Å
123	A	98.9	Very high	98.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.2	-37.9	178.8	0	0	0	0	0	112.9	V29 F35 I40 F119 Y120 K125 A126	V29-A123 HydrophobicContact CG2-CB 3.95Å; F35-A123 HydrophobicContact CZ-CB 3.86Å; I40-A123 HydrophobicContact CG2-CB 4.03Å; F119-A123 VanDerWaalsContact O-CB 3.32Å; F119-A123 WeakPolarHBondContact O-CB 3.49Å; F119-A123 PolarHBondContact O-N 2.93Å; Y120-A123 PolarHBondContact O-N 3.19Å; A123-K125 PolarHBondContact O-N 3.35Å; A123-A126 VanDerWaalsContact O-CB 3.24Å; A123-A126 WeakPolarHBondContact O-CB 3.39Å; A123-A126 PolarHBondContact O-N 2.99Å; A123-A126 VanDerWaalsContact O-N 3.1Å
124	K	98.9	Very high	98.8	Very high	67 Å²	67	46.7 Å²	46.7	29%	0.291	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.7	174.4	-70.5	171.4	-173.5	171.9	0	113.7	I40 C43 P45 Y120 E121 R122	I40-K124 HydrophobicContact CD1-CG 3.91Å; I40-K124 HydrophobicContact CG2-CG 4.26Å; C43-K124 HydrophobicContact CB-CB 4.04Å; C43-K124 HydrophobicContact CB-CD 4.14Å; C43-K124 HydrophobicContact CB-CG 3.77Å; P45-K124 WeakPolarHBondContact CD-O 3.29Å; Y120-K124 VanDerWaalsContact O-CG 3.32Å; Y120-K124 WeakPolarHBondContact O-CG 3.48Å; Y120-K124 PolarHBondContact O-N 3.47Å; E121-K124 IonicContact OE1-NZ 3.79Å; E121-K124 PolarHBondContact OE1-NZ 2.62Å; R122-K124 VanDerWaalsContact C-N 3.33Å; R122-K124 PolarHBondContact O-N 3.12Å
125	K	98.8	Very high	98.8	Very high	170 Å²	170	50.9 Å²	50.9	74%	0.739	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-2.5	179	-60.8	173.4	-172	172.9	0	112.7	R122 A123	R122-K125 PolarHBondContact O-N 3.3Å; A123-K125 PolarHBondContact O-N 3.35Å
126	A	98.9	Very high	98.8	Very high	8 Å²	8	48.1 Å²	48.1	7%	0.066	23%	0.232	C	C	.	.	S	Bend	trans	-63.9	160.3	176.6	0	0	0	0	0	110.8	E27 V29 P45 R122 A123	E27-A126 HydrophobicContact CB-CB 4.41Å; E27-A126 WeakPolarHBondContact O-CB 3.39Å; V29-A126 HydrophobicContact CG2-CB 3.73Å; P45-A126 WeakPolarHBondContact CB-O 3.32Å; R122-A126 PolarHBondContact O-N 3.46Å; A123-A126 VanDerWaalsContact O-CB 3.24Å; A123-A126 WeakPolarHBondContact O-CB 3.39Å; A123-A126 PolarHBondContact O-N 2.99Å; A123-A126 VanDerWaalsContact O-N 3.1Å
127	F	98.9	Very high	98.7	Very high	42 Å²	42	47.7 Å²	47.7	18%	0.184	24%	0.237	C	C	.	.	S	Bend	trans	-71.6	-41.2	171.6	-175	-86.9	0	0	0	111.1	A18 R21 M22 D26 E27 L46	A18-F127 HydrophobicContact CB-CD1 4.4Å; A18-F127 HydrophobicContact CB-CE1 4.04Å; R21-F127 HydrophobicContact CB-CE1 4.24Å; R21-F127 HydrophobicContact CB-CE2 4.33Å; R21-F127 HydrophobicContact CB-CZ 3.6Å; M22-F127 HydrophobicContact CG-CB 3.92Å; M22-F127 HydrophobicContact CG-CD1 3.58Å; M22-F127 HydrophobicContact CG-CD2 4.21Å; M22-F127 HydrophobicContact CG-CE1 4.16Å; M22-F127 HydrophobicContact CG-CG 3.63Å; M22-F127 HydrophobicContact SD-CD1 4.45Å; D26-F127 HydrophobicContact CB-CB 4.28Å; E27-F127 WeakPolarHBondContact O-CB 3.49Å; E27-F127 PolarHBondContact O-N 2.75Å; L46-F127 HydrophobicContact CD1-CD1 4.4Å; L46-F127 HydrophobicContact CD1-CE1 3.76Å; L46-F127 HydrophobicContact CD1-CZ 4.24Å; L46-F127 PolarHBondContact N-O 3.49Å
128	A	98.9	Very high	98.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	154.2	179.9	0	0	0	0	0	112.2	A18 I28 V29 L46 I48	A18-A128 HydrophobicContact CB-CB 4.49Å; I28-A128 WeakPolarHBondContact CA-O 3.15Å; I28-A128 HydrophobicContact CD1-CB 4.32Å; I28-A128 HydrophobicContact CG1-CB 4.2Å; V29-A128 PolarHBondContact N-O 2.88Å; L46-A128 HydrophobicContact CB-CB 4.08Å; L46-A128 CarbonylContact O-C 3.56Å; L46-A128 VanDerWaalsContact O-CA 3.32Å; L46-A128 WeakPolarHBondContact O-CA 3.46Å; I48-A128 HydrophobicContact CD1-CB 4.01Å
129	V	98.9	Very high	98.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.7	167.5	178.3	0	0	0	0	108	V29 A31 F35 A37 I40 P45 L46 I48	V29-V129 HydrophobicContact CB-CB 4.35Å; V29-V129 HydrophobicContact CB-CG1 4.24Å; V29-V129 HydrophobicContact CB-CG2 4.02Å; V29-V129 HydrophobicContact CG2-CG2 3.98Å; A31-V129 HydrophobicContact CB-CG1 3.77Å; F35-V129 HydrophobicContact CD1-CG1 4.35Å; F35-V129 HydrophobicContact CE1-CG1 4.2Å; A37-V129 HydrophobicContact CB-CG1 4.03Å; I40-V129 HydrophobicContact CG2-CG2 4.13Å; P45-V129 HydrophobicContact CB-CG2 3.97Å; P45-V129 HydrophobicContact CG-CG2 3.81Å; L46-V129 PolarHBondContact O-N 3.03Å; I48-V129 PolarHBondContact N-O 3.26Å
130	V	98.9	Very high	98.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	104.5	175	-168.4	0	0	0	0	108.3	L15 I28 V29 L30 A31 I48 A50 L58 T132	L15-V130 HydrophobicContact CD1-CG2 3.73Å; I28-V130 HydrophobicContact CD1-CG2 3.77Å; I28-V130 HydrophobicContact CG1-CG2 4.06Å; V29-V130 PolarHBondContact O-N 3.45Å; L30-V130 HydrophobicContact CD2-CB 3.99Å; L30-V130 HydrophobicContact CD2-CG2 3.97Å; A31-V130 WeakPolarHBondContact CB-O 3.29Å; A31-V130 PolarHBondContact N-O 3.4Å; I48-V130 HydrophobicContact CB-CG2 4.38Å; I48-V130 HydrophobicContact CG2-CG1 4.42Å; I48-V130 CarbonylContact O-C 3.58Å; I48-V130 VanDerWaalsContact O-CA 3.29Å; I48-V130 WeakPolarHBondContact O-CA 3.28Å; A50-V130 HydrophobicContact CB-CG1 3.69Å; L58-V130 HydrophobicContact CD2-CG1 3.97Å; V130-T132 HydrophobicContact CG1-CG2 4.32Å; V130-T132 PolarHBondContact O-N 2.78Å
131	A	98.9	Very high	98.8	Very high	8 Å²	8	36.6 Å²	36.6	7%	0.066	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	112.5	175.9	0	0	0	0	0	109.7	A37 I48 A50	A37-A131 HydrophobicContact CB-CB 3.95Å; I48-A131 PolarHBondContact O-N 3.36Å; A50-A131 CarbonylContact C-O 3.56Å; A50-A131 WeakPolarHBondContact CA-O 3.33Å; A50-A131 PolarHBondContact N-O 3.09Å
132	T	98.9	Very high	98.8	Very high	8 Å²	8	32.2 Å²	32.2	5%	0.049	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	176	-176.1	75.8	0	0	0	0	112	A31 A50 L53 I55 L58 V130 E134	A31-T132 WeakPolarHBondContact O-CB 3.4Å; A31-T132 PolarHBondContact O-N 3.39Å; A31-T132 PolarHBondContact O-OG1 3.43Å; A50-T132 HydrophobicContact CB-CG2 4.47Å; L53-T132 WeakPolarHBondContact O-CB 3.43Å; I55-T132 HydrophobicContact CG1-CG2 3.9Å; I55-T132 WeakPolarHBondContact CG1-OG1 3.32Å; L58-T132 HydrophobicContact CD2-CG2 3.8Å; V130-T132 HydrophobicContact CG1-CG2 4.32Å; V130-T132 PolarHBondContact O-N 2.78Å; T132-E134 VanDerWaalsContact C-N 3.32Å; T132-E134 VanDerWaalsContact OG1-CB 3.31Å; T132-E134 WeakPolarHBondContact OG1-CB 3.38Å; T132-E134 PolarHBondContact OG1-N 2.69Å; T132-E134 VanDerWaalsContact OG1-N 3.15Å
133	G	98.6	Very high	98.8	Very high	24 Å²	24	29.2 Å²	29.2	25%	0.247	16%	0.156	C	C	.	.			trans	-91.7	15.9	168.8	0	0	0	0	0	113.8	D51 L53 T135	D51-G133 WeakPolarHBondContact O-CA 3.39Å; D51-G133 PolarHBondContact O-N 3.09Å; L53-G133 PolarHBondContact O-N 2.85Å; G133-T135 PolarHBondContact O-N 2.77Å
134	E	98.8	Very high	98.8	Very high	23 Å²	23	31 Å²	31	11%	0.107	16%	0.163	C	C	.	.			trans	-64.2	124.2	-178.2	179.5	56.6	-106.3	0	0	111.5	D32 L33 I55 P56 T132 A136	D32-E134 HydrophobicContact CB-CB 4.22Å; D32-E134 HydrophobicContact CB-CG 4.26Å; L33-E134 WeakPolarHBondContact CB-O 3.31Å; L33-E134 PolarHBondContact N-O 3.47Å; I55-E134 HydrophobicContact CB-CB 4.26Å; I55-E134 HydrophobicContact CB-CG 4.18Å; I55-E134 HydrophobicContact CD1-CB 3.83Å; I55-E134 HydrophobicContact CD1-CG 3.92Å; I55-E134 HydrophobicContact CG1-CB 3.68Å; I55-E134 HydrophobicContact CG1-CG 4Å; I55-E134 PolarHBondContact N-OE2 3.44Å; P56-E134 WeakPolarHBondContact CD-OE2 3.41Å; T132-E134 VanDerWaalsContact C-N 3.32Å; T132-E134 VanDerWaalsContact OG1-CB 3.31Å; T132-E134 WeakPolarHBondContact OG1-CB 3.38Å; T132-E134 PolarHBondContact OG1-N 2.69Å; T132-E134 VanDerWaalsContact OG1-N 3.15Å; E134-A136 HydrophobicContact CG-CB 4.24Å; E134-A136 VanDerWaalsContact OE1-CB 3.29Å; E134-A136 WeakPolarHBondContact OE1-CB 3.46Å; E134-A136 PolarHBondContact OE1-N 3.36Å
135	T	98.5	Very high	98.8	Very high	103 Å²	103	29.5 Å²	29.5	63%	0.632	16%	0.157	S	C	*	.			trans	-99.1	-12.1	-176	54.4	0	0	0	0	113.4	L33 G133 L137	L33-T135 HydrophobicContact CD2-CG2 4.17Å; G133-T135 PolarHBondContact O-N 2.77Å; T135-L137 PolarHBondContact O-N 3.5Å
136	A	98.4	Very high	98.7	Very high	27 Å²	27	21.6 Å²	21.6	22%	0.223	12%	0.124	C	C	.	.	S	Bend	trans	-60.8	131.1	177.1	0	0	0	0	0	111.2	V94 E134 G139	V94-A136 HydrophobicContact CB-CB 3.79Å; V94-A136 HydrophobicContact CG1-CB 3.92Å; V94-A136 HydrophobicContact CG2-CB 3.93Å; E134-A136 HydrophobicContact CG-CB 4.24Å; E134-A136 VanDerWaalsContact OE1-CB 3.29Å; E134-A136 WeakPolarHBondContact OE1-CB 3.46Å; E134-A136 PolarHBondContact OE1-N 3.36Å; A136-G139 PolarHBondContact O-N 3.27Å
137	L	98.1	Very high	98.6	Very high	97 Å²	97	24.2 Å²	24.2	51%	0.508	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	141.2	174	-61.4	179.6	0	0	0	110.1	L90 T135 G139	L90-L137 HydrophobicContact CD1-CD1 4.45Å; L90-L137 HydrophobicContact CD2-CD1 4.34Å; T135-L137 PolarHBondContact O-N 3.5Å; L137-G139 PolarHBondContact O-N 3.16Å
138	Y	98.5	Very high	98.2	Very high	29 Å²	29	28.3 Å²	28.3	11%	0.114	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	34.8	-174	-59.1	-91.9	0	0	0	112.3	M79 E80 L81 V82 D85 L90 T92 W95 N140	M79-Y138 HydrophobicContact CB-CD1 4.36Å; M79-Y138 HydrophobicContact CG-CD1 4.25Å; M79-Y138 WeakPolarHBondContact O-CD1 3.44Å; M79-Y138 HydrophobicContact SD-CD1 4.47Å; E80-Y138 VanDerWaalsContact O-CE1 3.32Å; E80-Y138 WeakPolarHBondContact O-CE1 3.33Å; L81-Y138 HydrophobicContact CG-CD2 4.47Å; L81-Y138 HydrophobicContact CG-CE2 4.25Å; V82-Y138 PolarHBondContact N-OH 2.82Å; D85-Y138 PolarHBondContact OD2-OH 3.14Å; L90-Y138 HydrophobicContact CD2-CD2 4.06Å; L90-Y138 HydrophobicContact CD2-CE2 3.61Å; T92-Y138 HydrophobicContact CG2-CD2 4.2Å; T92-Y138 HydrophobicContact CG2-CG 4.33Å; W95-Y138 PolarHBondContact NE1-O 3.21Å; Y138-N140 VanDerWaalsContact C-N 3.31Å
139	G	98.7	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.202	C	C	.	.			trans	-77	-14.9	-178.6	0	0	0	0	0	113.8	D32 I55 Y98 A136 L137 L141	D32-G139 PolarHBondContact OD2-N 2.88Å; D32-G139 VanDerWaalsContact OD2-N 3.12Å; I55-G139 WeakPolarHBondContact CD1-O 3.2Å; Y98-G139 VanDerWaalsContact CE2-O 3.26Å; Y98-G139 WeakPolarHBondContact CE2-O 3.16Å; Y98-G139 PolarHBondContact OH-O 3.37Å; A136-G139 PolarHBondContact O-N 3.27Å; L137-G139 PolarHBondContact O-N 3.16Å; G139-L141 PolarHBondContact O-N 3.47Å
140	N	98.9	Very high	95.6	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.037	23%	0.234	C	C	.	.			trans	-57.1	134.1	-179	-53.9	-61.6	0	0	0	113.1	L30 A31 D32 F35 F119 Y138	L30-N140 WeakPolarHBondContact O-CA 3.27Å; A31-N140 WeakPolarHBondContact CA-OD1 3.48Å; D32-N140 PolarHBondContact N-OD1 3.23Å; D32-N140 PolarHBondContact OD2-N 3.04Å; D32-N140 PolarHBondContact OD2-ND2 3.37Å; D32-N140 PolarHBondContact OD2-OD1 2.82Å; F35-N140 VanDerWaalsContact CB-OD1 3.26Å; F35-N140 WeakPolarHBondContact CB-OD1 3.47Å; F35-N140 HydrophobicContact CD2-CB 4.35Å; F35-N140 VanDerWaalsContact CD2-CG 3.46Å; F35-N140 VanDerWaalsContact CD2-OD1 3.27Å; F35-N140 WeakPolarHBondContact CD2-OD1 3.32Å; F35-N140 WeakPolarHBondContact CG-OD1 3.46Å; F119-N140 HydrophobicContact CE1-CB 3.75Å; F119-N140 HydrophobicContact CE2-CB 4.3Å; F119-N140 HydrophobicContact CZ-CB 3.45Å; F119-N140 VanDerWaalsContact CZ-CB 3.45Å; Y138-N140 VanDerWaalsContact C-N 3.31Å
141	L	98.9	Very high	93.6	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	127.3	-179.8	-179	65.3	0	0	0	110.7	V29 L30 L59 A76 A77 V78 Y98 L111 G139 L143	V29-L141 CarbonylContact C-O 3.18Å; V29-L141 WeakPolarHBondContact CA-O 3.16Å; L30-L141 HydrophobicContact CB-CB 4.46Å; L30-L141 HydrophobicContact CD1-CD2 4.5Å; L30-L141 PolarHBondContact N-O 2.92Å; L30-L141 PolarHBondContact O-N 2.64Å; L59-L141 HydrophobicContact CD1-CD2 3.73Å; L59-L141 HydrophobicContact CD2-CD2 3.72Å; L59-L141 HydrophobicContact CG-CD2 4.3Å; A76-L141 HydrophobicContact CB-CD1 4.26Å; A77-L141 CarbonylContact O-C 3.59Å; A77-L141 WeakPolarHBondContact O-CA 3.45Å; V78-L141 HydrophobicContact CG1-CD1 3.87Å; Y98-L141 HydrophobicContact CD2-CB 4.41Å; Y98-L141 HydrophobicContact CD2-CD1 4.27Å; Y98-L141 HydrophobicContact CD2-CD2 4.1Å; Y98-L141 HydrophobicContact CE2-CB 4.12Å; Y98-L141 HydrophobicContact CE2-CD2 4.42Å; Y98-L141 HydrophobicContact CG-CD2 4.23Å; L111-L141 HydrophobicContact CD2-CD1 3.89Å; G139-L141 PolarHBondContact O-N 3.47Å; L141-L143 HydrophobicContact CD1-CD2 4.5Å; L141-L143 HydrophobicContact CD2-CD2 3.99Å; L141-L143 HydrophobicContact CD2-CG 4.37Å; L141-L143 HydrophobicContact CG-CD2 4.09Å; L141-L143 HydrophobicContact CG-CG 4.33Å
142	I	98.9	Very high	91.4	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.3	169.4	-59.7	177.9	0	0	0	108.2	E27 I28 V29 A76 A77 F119 R122	E27-I142 HydrophobicContact CB-CG2 3.95Å; E27-I142 HydrophobicContact CG-CG2 4.32Å; I28-I142 WeakPolarHBondContact O-CA 3.39Å; V29-I142 HydrophobicContact CG1-CG1 4.39Å; V29-I142 HydrophobicContact CG2-CG1 4.16Å; A76-I142 CarbonylContact C-O 3.58Å; A76-I142 VanDerWaalsContact CA-O 3.25Å; A76-I142 WeakPolarHBondContact CA-O 3.29Å; A77-I142 HydrophobicContact CB-CB 4.39Å; A77-I142 PolarHBondContact N-O 3.22Å; A77-I142 PolarHBondContact O-N 3.08Å; F119-I142 HydrophobicContact CD1-CD1 4.37Å; F119-I142 HydrophobicContact CD2-CD1 3.99Å; F119-I142 HydrophobicContact CD2-CG1 4.45Å; F119-I142 HydrophobicContact CE1-CD1 4.1Å; F119-I142 HydrophobicContact CE1-CG1 4.18Å; F119-I142 HydrophobicContact CE2-CD1 3.7Å; F119-I142 HydrophobicContact CE2-CG1 3.66Å; F119-I142 HydrophobicContact CG-CD1 4.32Å; F119-I142 HydrophobicContact CZ-CD1 3.75Å; F119-I142 HydrophobicContact CZ-CG1 3.5Å; F119-I142 VanDerWaalsContact CZ-CG1 3.5Å; R122-I142 HydrophobicContact CB-CD1 4.05Å; R122-I142 HydrophobicContact CG-CD1 3.89Å
143	L	98.9	Very high	88.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.4	173.3	-61	172.8	0	0	0	110.2	E27 I28 L30 L59 L66 L68 P75 A76 L102 L141	E27-L143 CarbonylContact C-O 3.6Å; E27-L143 WeakPolarHBondContact CA-O 3.42Å; I28-L143 HydrophobicContact CG2-CB 4.05Å; I28-L143 PolarHBondContact N-O 2.98Å; I28-L143 PolarHBondContact O-N 2.71Å; L30-L143 HydrophobicContact CD1-CD1 4.32Å; L59-L143 HydrophobicContact CD1-CD1 3.59Å; L59-L143 HydrophobicContact CD1-CD2 4.1Å; L59-L143 HydrophobicContact CD1-CG 4.38Å; L66-L143 HydrophobicContact CD2-CB 4.21Å; L66-L143 HydrophobicContact CD2-CD1 4.22Å; L68-L143 HydrophobicContact CD2-CB 4.26Å; L68-L143 HydrophobicContact CD2-CD2 4.21Å; P75-L143 CarbonylContact O-C 3.32Å; P75-L143 WeakPolarHBondContact O-CA 3.37Å; A76-L143 HydrophobicContact CB-CD2 4.02Å; L102-L143 HydrophobicContact CD2-CD2 4.32Å; L141-L143 HydrophobicContact CD1-CD2 4.5Å; L141-L143 HydrophobicContact CD2-CD2 3.99Å; L141-L143 HydrophobicContact CD2-CG 4.37Å; L141-L143 HydrophobicContact CG-CD2 4.09Å; L141-L143 HydrophobicContact CG-CG 4.33Å
144	K	98.9	Very high	86.5	Confident	37 Å²	37	64.9 Å²	64.9	16%	0.161	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.5	176.9	-167.8	176.5	-161.5	64.4	0	111.6	G25 E27 D69 V72 P75	G25-K144 PolarHBondContact O-NZ 3.15Å; E27-K144 HydrophobicContact CG-CB 4.05Å; E27-K144 HydrophobicContact CG-CG 3.94Å; E27-K144 IonicContact OE1-NZ 3.24Å; E27-K144 PolarHBondContact OE1-NZ 2.72Å; D69-K144 HydrophobicContact CB-CB 4.23Å; D69-K144 HydrophobicContact CB-CD 4.11Å; D69-K144 HydrophobicContact CB-CG 3.97Å; D69-K144 PolarHBondContact N-O 2.98Å; D69-K144 WeakPolarHBondContact OD2-CD 3.38Å; V72-K144 HydrophobicContact CG1-CD 3.94Å; V72-K144 HydrophobicContact CG2-CD 4.23Å; P75-K144 HydrophobicContact CB-CB 4.38Å; P75-K144 PolarHBondContact O-N 3.24Å
145	K	98.8	Very high	85.9	Confident	35 Å²	35	67 Å²	67	15%	0.152	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-73.3	127.2	-179.3	-172.5	170	-177.9	-178.9	0	111.4	L19 M22 G23 H24 G25 D26 L66 P67	L19-K145 PolarHBondContact O-NZ 3.35Å; M22-K145 HydrophobicContact CB-CD 3.6Å; M22-K145 HydrophobicContact CE-CB 4.12Å; M22-K145 WeakPolarHBondContact O-CE 3.38Å; M22-K145 PolarHBondContact O-NZ 3.17Å; G23-K145 WeakPolarHBondContact O-CD 3.45Å; H24-K145 PolarHBondContact ND1-O 3Å; G25-K145 PolarHBondContact N-O 3.33Å; D26-K145 PolarHBondContact O-N 2.85Å; L66-K145 HydrophobicContact CD1-CB 3.92Å; L66-K145 HydrophobicContact CD1-CD 3.68Å; L66-K145 HydrophobicContact CD1-CG 3.64Å; P67-K145 HydrophobicContact CG-CG 4.42Å; P67-K145 CarbonylContact O-C 3.58Å; P67-K145 WeakPolarHBondContact O-CA 3.45Å
146	G	97.8	Very high	85.2	Confident	4 Å²	4	65.1 Å²	65.1	4%	0.041	38%	0.376	C	S	.	.			trans	-90.9	-154.8	175	0	0	0	0	0	113.3	P67 D69	P67-G146 PolarHBondContact O-N 3.17Å; D69-G146 VanDerWaalsContact CA-CA 3.42Å
147	V	95.4	Very high	84.5	Confident	64 Å²	64	67.2 Å²	67.2	39%	0.388	38%	0.384	S	S	.	.			trans	-115.3	152.7	176.7	-61.7	0	0	0	0	110	H24 Y71	H24-V147 HydrophobicContact CB-CG1 3.89Å; Y71-V147 HydrophobicContact CE2-CG2 3.89Å
148	L	91.2	Very high	83.7	Confident	128 Å²	128	65.4 Å²	65.4	67%	0.67	38%	0.377	S	S	*	.			trans	-100.4	128.2	160.3	-71.4	171.6	0	0	0	107.7	P67 L150	P67-L148 HydrophobicContact CB-CD2 3.95Å; P67-L148 HydrophobicContact CB-CG 4.11Å; P67-L148 HydrophobicContact CG-CD2 4.42Å; P67-L148 HydrophobicContact CG-CG 4.05Å; L148-L150 PolarHBondContact O-N 2.74Å
149	A	78.3	Confident	82.7	Confident	102 Å²	102	67.7 Å²	67.7	84%	0.843	39%	0.393	S	S	*	.			trans	-68.9	101.7	161.5	0	0	0	0	0	106.5	S151	A149-S151 PolarHBondContact O-N 2.94Å
150	L	65.1	Low	81.7	Confident	129 Å²	129	72.2 Å²	72.2	68%	0.675	42%	0.42	S	S	*	.			trans	-61.8	110	171.8	-67.2	169.6	0	0	0	106.7	L148 L154	L148-L150 PolarHBondContact O-N 2.74Å; L150-L154 HydrophobicContact CD2-CD1 3.56Å
151	S	57.5	Low	80.4	Confident	83 Å²	83	76.9 Å²	76.9	58%	0.58	45%	0.447	S	S	*	.			trans	-57	140.9	163.7	-175.1	0	0	0	0	107.2	A149 L153 L154	A149-S151 PolarHBondContact O-N 2.94Å; S151-L153 PolarHBondContact O-N 3.35Å; S151-L154 PolarHBondContact O-N 3Å
152	P	51.5	Low	79	Confident	126 Å²	126	82.8 Å²	82.8	82%	0.818	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	21.7	-172.9	23.8	-33.7	0	0	0	115.8
153	L	46.6	Very low	77.4	Confident	161 Å²	161	89.6 Å²	89.6	84%	0.843	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.8	25.8	-177.8	-70.2	168.4	0	0	0	113.3	S151	S151-L153 PolarHBondContact O-N 3.35Å
154	L	48.3	Very low	75.4	Confident	206 Å²	206	97.7 Å²	97.7	100%	1.079	57%	0.568	S	S	*	*			trans	-92.8	0	150.6	-89.2	164.5	0	0	0	109.3	L150 S151	L150-L154 HydrophobicContact CD2-CD1 3.56Å; S151-L154 PolarHBondContact O-N 3Å

Retrieved 154 of 154 residues in 221.6 ms (Link to these results)

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