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N-alpha-acetyltransferase 20

Catalytic subunit of the NatB complex which catalyzes acetylation of the N-terminal methionine residues of peptides beginning with Met-Asp, Met-Glu, Met-Asn and Met-Gln. Proteins with cell cycle functions are overrepresented in the pool of NatB substrates. Required for maintaining the structure and function of actomyosin fibers and for proper cellular migration.

AlphaFold DB , UniProt , Accession B9ELZ1, Species SALSA (Salmo salar, Atlantic salmon), Gene NAT5, Length 178 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	82.1	Confident	95.8	Very high	200 Å²	200	69.1 Å²	69.1	99%	0.985	39%	0.389	S	S	*	.				0	134.4	0	-170.6	177.5	-70.4	0	0	107.8	P49	M1-P49 VanDerWaalsContact N-CG 3.3Å; M1-P49 WeakPolarHBondContact O-CG 3.14Å
2	T	95.3	Very high	95.8	Very high	55 Å²	55	65.4 Å²	65.4	34%	0.337	37%	0.367	S	S	.	.			trans	-69.4	136.8	174.7	-61.5	0	0	0	0	110	A46 E47 M54 L88	T2-A46 HydrophobicContact CG2-CB 4Å; T2-E47 WeakPolarHBondContact CA-O 3.45Å; T2-M54 HydrophobicContact CG2-SD 3.54Å; T2-M54 VanDerWaalsContact CG2-SD 3.54Å; T2-M54 WeakPolarHBondContact OG1-CE 3.41Å; T2-M54 PolarHBondContact OG1-SD 3.19Å; T2-L88 HydrophobicContact CG2-CD2 3.91Å
3	T	97.3	Very high	95.7	Very high	77 Å²	77	72.6 Å²	72.6	47%	0.472	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.7	175.3	-58.7	0	0	0	0	109.1	A46 E47	T3-A46 WeakPolarHBondContact O-CA 3.48Å; T3-E47 PolarHBondContact N-O 3.3Å; T3-E47 PolarHBondContact O-N 3.14Å
4	L	97.9	Very high	95.7	Very high	61 Å²	61	75.6 Å²	75.6	32%	0.319	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.7	169.3	-60.3	177.7	0	0	0	108.7	I44 V45 A46 K91 L92 M95	L4-I44 HydrophobicContact CB-CG2 4.49Å; L4-V45 WeakPolarHBondContact CA-O 3.24Å; L4-A46 HydrophobicContact CD2-CB 3.68Å; L4-K91 HydrophobicContact CD1-CG 3.68Å; L4-L92 HydrophobicContact CD2-CD2 4.1Å; L4-M95 HydrophobicContact CD1-CG 4.47Å
5	R	97.6	Very high	95.5	Very high	67 Å²	67	71.4 Å²	71.4	25%	0.253	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	168.6	178.7	60.8	167.2	179.5	80.1	-0.9	111.1	D11 I44 V45 E47	R5-D11 IonicContact CZ-OD1 3.91Å; R5-D11 IonicContact CZ-OD2 3.77Å; R5-D11 IonicContact NH1-OD1 3.83Å; R5-D11 IonicContact NH1-OD2 3.26Å; R5-D11 PolarHBondContact NH1-OD2 2.54Å; R5-D11 IonicContact NH2-OD1 2.69Å; R5-D11 PolarHBondContact NH2-OD1 3.25Å; R5-D11 IonicContact NH2-OD2 3.67Å; R5-D11 PolarHBondContact NH2-OD2 2.83Å; R5-I44 WeakPolarHBondContact O-CA 3.31Å; R5-I44 WeakPolarHBondContact O-CG2 2.82Å; R5-V45 HydrophobicContact CG-CG1 3.74Å; R5-V45 PolarHBondContact N-O 3.08Å; R5-V45 PolarHBondContact O-N 3.03Å; R5-E47 IonicContact CZ-OE2 2.81Å; R5-E47 IonicContact NE-OE2 3.65Å; R5-E47 PolarHBondContact NE-OE2 3.24Å; R5-E47 IonicContact NH2-OE2 2.97Å; R5-E47 PolarHBondContact NH2-OE2 3.43Å
6	A	98	Very high	95.4	Very high	60 Å²	60	73.1 Å²	73.1	50%	0.496	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	141.4	169.9	0	0	0	0	0	110.6
7	F	98.3	Very high	95.4	Very high	8 Å²	8	71.1 Å²	71.1	4%	0.035	38%	0.376	C	S	.	.			trans	-68.9	137.6	169.8	-166.8	-80.5	0	0	0	109.2	D11 L12 L36 F43 V45 Y56	F7-D11 HydrophobicContact CD1-CB 4.09Å; F7-D11 HydrophobicContact CD2-CB 4.05Å; F7-D11 HydrophobicContact CE1-CB 3.7Å; F7-D11 HydrophobicContact CE2-CB 3.65Å; F7-D11 HydrophobicContact CG-CB 4.25Å; F7-D11 HydrophobicContact CZ-CB 3.46Å; F7-D11 VanDerWaalsContact CZ-CB 3.46Å; F7-L12 HydrophobicContact CE1-CD2 3.82Å; F7-L12 HydrophobicContact CE1-CG 3.99Å; F7-L12 HydrophobicContact CZ-CD2 3.98Å; F7-L12 HydrophobicContact CZ-CG 4.4Å; F7-L36 HydrophobicContact CB-CD2 4.45Å; F7-L36 HydrophobicContact CD1-CD1 4.32Å; F7-L36 HydrophobicContact CD1-CD2 4.16Å; F7-L36 VanDerWaalsContact O-CD2 3.25Å; F7-L36 WeakPolarHBondContact O-CD2 3.37Å; F7-F43 HydrophobicContact CB-CB 4.2Å; F7-F43 HydrophobicContact CB-CD1 4.13Å; F7-F43 HydrophobicContact CB-CD2 3.34Å; F7-F43 HydrophobicContact CB-CE1 4.38Å; F7-F43 HydrophobicContact CB-CE2 3.66Å; F7-F43 HydrophobicContact CB-CG 3.61Å; F7-F43 HydrophobicContact CB-CZ 4.16Å; F7-F43 HydrophobicContact CD1-CD1 4.19Å; F7-F43 HydrophobicContact CD1-CD2 4.3Å; F7-F43 AromaticContact CD1-CE1 3.7Å; F7-F43 HydrophobicContact CD1-CE1 3.7Å; F7-F43 AromaticContact CD1-CE2 3.85Å; F7-F43 HydrophobicContact CD1-CE2 3.85Å; F7-F43 HydrophobicContact CD1-CG 4.47Å; F7-F43 AromaticContact CD1-CZ 3.52Å; F7-F43 HydrophobicContact CD1-CZ 3.52Å; F7-F43 AromaticContact CD2-CD2 3.92Å; F7-F43 HydrophobicContact CD2-CD2 3.92Å; F7-F43 AromaticContact CD2-CE2 3.32Å; F7-F43 HydrophobicContact CD2-CE2 3.32Å; F7-F43 AromaticContact CD2-CZ 3.74Å; F7-F43 HydrophobicContact CD2-CZ 3.74Å; F7-F43 HydrophobicContact CE1-CE1 4.09Å; F7-F43 HydrophobicContact CE1-CE2 4.31Å; F7-F43 AromaticContact CE1-CZ 3.71Å; F7-F43 HydrophobicContact CE1-CZ 3.71Å; F7-F43 AromaticContact CE2-CE2 3.86Å; F7-F43 HydrophobicContact CE2-CE2 3.86Å; F7-F43 AromaticContact CE2-CZ 3.94Å; F7-F43 HydrophobicContact CE2-CZ 3.94Å; F7-F43 HydrophobicContact CG-CD1 4.27Å; F7-F43 AromaticContact CG-CD2 3.62Å; F7-F43 HydrophobicContact CG-CD2 3.62Å; F7-F43 HydrophobicContact CG-CE1 4.01Å; F7-F43 AromaticContact CG-CE2 3.33Å; F7-F43 HydrophobicContact CG-CE2 3.33Å; F7-F43 HydrophobicContact CG-CG 4.1Å; F7-F43 AromaticContact CG-CZ 3.54Å; F7-F43 HydrophobicContact CG-CZ 3.54Å; F7-F43 HydrophobicContact CZ-CE2 4.32Å; F7-F43 AromaticContact CZ-CZ 3.93Å; F7-F43 HydrophobicContact CZ-CZ 3.93Å; F7-F43 PolarHBondContact N-O 2.78Å; F7-V45 HydrophobicContact CD2-CB 4.02Å; F7-V45 HydrophobicContact CD2-CG2 4.32Å; F7-Y56 HydrophobicContact CE2-CG 4.48Å
8	T	97.4	Very high	95.4	Very high	61 Å²	61	67.2 Å²	67.2	37%	0.374	36%	0.355	S	S	.	.			trans	-116.7	162.8	177.3	71.1	0	0	0	0	111.1	D10 D11	T8-D10 PolarHBondContact O-N 3.46Å; T8-D11 PolarHBondContact N-OD2 2.94Å; T8-D11 WeakPolarHBondContact O-CB 3.47Å; T8-D11 PolarHBondContact O-N 3.31Å; T8-D11 PolarHBondContact OG1-OD2 3.04Å
9	C	95.8	Very high	95.4	Very high	65 Å²	65	64.2 Å²	64.2	44%	0.439	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-57.2	-33.7	178.5	-63	0	0	0	0	112.8	D11 L12	C9-D11 PolarHBondContact O-N 3.46Å; C9-L12 VanDerWaalsContact O-CB 3.27Å; C9-L12 WeakPolarHBondContact O-CB 3.41Å; C9-L12 WeakPolarHBondContact O-CG 3.14Å; C9-L12 PolarHBondContact O-N 2.99Å
10	D	96.4	Very high	95.3	Very high	105 Å²	105	68.3 Å²	68.3	56%	0.561	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-65.6	-23.1	178	-61.2	-85.3	0	0	0	113.3	T8 L12 F13	T8-D10 PolarHBondContact O-N 3.46Å; D10-L12 PolarHBondContact O-N 2.92Å; D10-F13 PolarHBondContact O-N 3.46Å
11	D	97.3	Very high	95	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-69.2	-20.4	177	-65.5	-38.8	0	0	0	112	R5 F7 T8 C9 F13 K14 F15 L53	R5-D11 IonicContact CZ-OD1 3.91Å; R5-D11 IonicContact CZ-OD2 3.77Å; R5-D11 IonicContact NH1-OD1 3.83Å; R5-D11 IonicContact NH1-OD2 3.26Å; R5-D11 PolarHBondContact NH1-OD2 2.54Å; R5-D11 IonicContact NH2-OD1 2.69Å; R5-D11 PolarHBondContact NH2-OD1 3.25Å; R5-D11 IonicContact NH2-OD2 3.67Å; R5-D11 PolarHBondContact NH2-OD2 2.83Å; F7-D11 HydrophobicContact CD1-CB 4.09Å; F7-D11 HydrophobicContact CD2-CB 4.05Å; F7-D11 HydrophobicContact CE1-CB 3.7Å; F7-D11 HydrophobicContact CE2-CB 3.65Å; F7-D11 HydrophobicContact CG-CB 4.25Å; F7-D11 HydrophobicContact CZ-CB 3.46Å; F7-D11 VanDerWaalsContact CZ-CB 3.46Å; T8-D11 PolarHBondContact N-OD2 2.94Å; T8-D11 WeakPolarHBondContact O-CB 3.47Å; T8-D11 PolarHBondContact O-N 3.31Å; T8-D11 PolarHBondContact OG1-OD2 3.04Å; C9-D11 PolarHBondContact O-N 3.46Å; D11-F13 PolarHBondContact O-N 3.2Å; D11-K14 PolarHBondContact O-N 2.84Å; D11-F15 WeakPolarHBondContact O-CD1 3.03Å; D11-F15 PolarHBondContact O-N 2.63Å; D11-F15 VanDerWaalsContact O-N 3.16Å; D11-L53 HydrophobicContact CB-CD1 3.82Å
12	L	95.7	Very high	95.3	Very high	25 Å²	25	62 Å²	62	13%	0.131	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-61.1	-13.7	172.3	-63.8	173.7	0	0	0	113.2	F7 C9 D10 F15 Y32 L33	F7-L12 HydrophobicContact CE1-CD2 3.82Å; F7-L12 HydrophobicContact CE1-CG 3.99Å; F7-L12 HydrophobicContact CZ-CD2 3.98Å; F7-L12 HydrophobicContact CZ-CG 4.4Å; C9-L12 VanDerWaalsContact O-CB 3.27Å; C9-L12 WeakPolarHBondContact O-CB 3.41Å; C9-L12 WeakPolarHBondContact O-CG 3.14Å; C9-L12 PolarHBondContact O-N 2.99Å; D10-L12 PolarHBondContact O-N 2.92Å; L12-F15 HydrophobicContact CB-CE1 4.32Å; L12-F15 HydrophobicContact CD2-CE1 4.19Å; L12-F15 HydrophobicContact CD2-CZ 4.27Å; L12-F15 WeakPolarHBondContact O-CD1 3.23Å; L12-F15 WeakPolarHBondContact O-CE1 3.29Å; L12-Y32 HydrophobicContact CD2-CD1 4.22Å; L12-Y32 HydrophobicContact CD2-CD2 3.82Å; L12-Y32 HydrophobicContact CD2-CE2 4.49Å; L12-Y32 HydrophobicContact CD2-CG 3.66Å; L12-L33 HydrophobicContact CD1-CD2 4.23Å
13	F	95.1	Very high	95.1	Very high	159 Å²	159	63.2 Å²	63.2	70%	0.697	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-99.6	-0.5	174.9	-56.6	-70.4	0	0	0	113.2	D10 D11	D10-F13 PolarHBondContact O-N 3.46Å; D11-F13 PolarHBondContact O-N 3.2Å
14	K	95.7	Very high	94.8	Very high	115 Å²	115	60.3 Å²	60.3	50%	0.5	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.4	-21	-169.1	-60.5	178.5	-172.9	171.1	0	114.2	D11 N16 N17 L53	D11-K14 PolarHBondContact O-N 2.84Å; K14-N16 PolarHBondContact O-N 3.3Å; K14-N16 VanDerWaalsContact O-N 3.15Å; K14-N17 PolarHBondContact O-OD1 3.13Å; K14-L53 HydrophobicContact CB-CD1 3.89Å; K14-L53 HydrophobicContact CB-CG 4.21Å
15	F	93.3	Very high	94.3	Very high	12 Å²	12	61.1 Å²	61.1	5%	0.053	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	10.7	-174	77.1	-56.6	0	0	0	115.6	D11 L12 N17 I18 N19 Y32 L53 Y56	D11-F15 WeakPolarHBondContact O-CD1 3.03Å; D11-F15 PolarHBondContact O-N 2.63Å; D11-F15 VanDerWaalsContact O-N 3.16Å; L12-F15 HydrophobicContact CB-CE1 4.32Å; L12-F15 HydrophobicContact CD2-CE1 4.19Å; L12-F15 HydrophobicContact CD2-CZ 4.27Å; L12-F15 WeakPolarHBondContact O-CD1 3.23Å; L12-F15 WeakPolarHBondContact O-CE1 3.29Å; F15-N17 VanDerWaalsContact C-N 3.32Å; F15-N17 PolarHBondContact O-N 2.97Å; F15-I18 HydrophobicContact CB-CD1 4.35Å; F15-I18 WeakPolarHBondContact O-CB 3.37Å; F15-I18 PolarHBondContact O-N 3.43Å; F15-N19 HydrophobicContact CD2-CB 4.05Å; F15-N19 VanDerWaalsContact CD2-CG 3.45Å; F15-N19 WeakPolarHBondContact CD2-OD1 3.37Å; F15-N19 HydrophobicContact CE2-CB 4.06Å; F15-N19 VanDerWaalsContact CE2-ND2 3.35Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.4Å; F15-N19 WeakPolarHBondContact CE2-OD1 3.47Å; F15-N19 PolarHBondContact O-N 2.9Å; F15-Y32 HydrophobicContact CE2-CE1 4.32Å; F15-Y32 HydrophobicContact CE2-CE2 4.19Å; F15-Y32 AromaticContact CE2-CZ 3.76Å; F15-Y32 AromaticContact CZ-CE2 3.95Å; F15-Y32 HydrophobicContact CZ-CE2 3.95Å; F15-L53 HydrophobicContact CB-CD1 4.07Å; F15-Y56 AromaticContact CD2-CE1 3.84Å; F15-Y56 HydrophobicContact CD2-CE1 3.84Å
16	N	93.1	Very high	94.1	Very high	98 Å²	98	62.1 Å²	62.1	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-37.6	-177.9	-69.7	-26.3	0	0	0	112.8	K14 I18 N19 L20	K14-N16 PolarHBondContact O-N 3.3Å; K14-N16 VanDerWaalsContact O-N 3.15Å; N16-I18 PolarHBondContact O-N 2.84Å; N16-N19 PolarHBondContact O-N 3.48Å; N16-L20 WeakPolarHBondContact O-CB 3.47Å; N16-L20 WeakPolarHBondContact O-CD1 3.2Å; N16-L20 WeakPolarHBondContact O-CG 3.49Å; N16-L20 PolarHBondContact O-N 3.29Å
17	N	95	Very high	93.8	Very high	40 Å²	40	62.8 Å²	62.8	21%	0.214	33%	0.33	C	S	.	.	H	α-helix	trans	-61.8	-28.6	176.4	67.1	-38.9	0	0	0	112.5	K14 F15 L53 E82	K14-N17 PolarHBondContact O-OD1 3.13Å; F15-N17 VanDerWaalsContact C-N 3.32Å; F15-N17 PolarHBondContact O-N 2.97Å; N17-L53 PolarHBondContact ND2-O 3.02Å; N17-E82 PolarHBondContact ND2-OE1 3Å
18	I	96.7	Very high	93.6	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-81	-47.6	175.9	-58.7	159.5	0	0	0	110.3	F15 N16 L20 D21 L53 Y56 A80	F15-I18 HydrophobicContact CB-CD1 4.35Å; F15-I18 WeakPolarHBondContact O-CB 3.37Å; F15-I18 PolarHBondContact O-N 3.43Å; N16-I18 PolarHBondContact O-N 2.84Å; I18-L20 PolarHBondContact O-N 2.94Å; I18-D21 PolarHBondContact O-N 2.96Å; I18-L53 HydrophobicContact CD1-CB 3.67Å; I18-Y56 HydrophobicContact CB-CE1 4.39Å; I18-Y56 HydrophobicContact CD1-CD1 4.08Å; I18-Y56 HydrophobicContact CG2-CD1 3.95Å; I18-Y56 HydrophobicContact CG2-CE1 3.7Å; I18-A80 HydrophobicContact CG1-CB 3.89Å
19	N	94.7	Very high	93.5	Very high	11 Å²	11	66.9 Å²	66.9	6%	0.059	36%	0.36	C	S	.	.	H	α-helix	trans	-81.7	-7.3	-171.7	-95.3	54.8	0	0	0	115.5	F15 N16 D21 T24 E25 T26 Y32 Y56	F15-N19 HydrophobicContact CD2-CB 4.05Å; F15-N19 VanDerWaalsContact CD2-CG 3.45Å; F15-N19 WeakPolarHBondContact CD2-OD1 3.37Å; F15-N19 HydrophobicContact CE2-CB 4.06Å; F15-N19 VanDerWaalsContact CE2-ND2 3.35Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.4Å; F15-N19 WeakPolarHBondContact CE2-OD1 3.47Å; F15-N19 PolarHBondContact O-N 2.9Å; N16-N19 PolarHBondContact O-N 3.48Å; N19-D21 PolarHBondContact O-N 3.39Å; N19-T24 HydrophobicContact CB-CG2 4.39Å; N19-T24 WeakPolarHBondContact OD1-CG2 3.36Å; N19-E25 PolarHBondContact ND2-O 3.23Å; N19-T26 WeakPolarHBondContact ND2-CA 3.33Å; N19-T26 PolarHBondContact ND2-OG1 3.16Å; N19-Y32 PolarHBondContact ND2-OH 2.91Å; N19-Y56 VanDerWaalsContact OD1-CE1 3.22Å; N19-Y56 WeakPolarHBondContact OD1-CE1 3.4Å; N19-Y56 PolarHBondContact OD1-OH 3.31Å
20	L	92.8	Very high	93.6	Very high	145 Å²	145	68.6 Å²	68.6	76%	0.759	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-2.7	170.2	-74.1	171.2	0	0	0	113.3	N16 I18	N16-L20 WeakPolarHBondContact O-CB 3.47Å; N16-L20 WeakPolarHBondContact O-CD1 3.2Å; N16-L20 WeakPolarHBondContact O-CG 3.49Å; N16-L20 PolarHBondContact O-N 3.29Å; I18-L20 PolarHBondContact O-N 2.94Å
21	D	90.3	Very high	93.6	Very high	18 Å²	18	66.5 Å²	66.5	10%	0.096	36%	0.357	C	S	.	.	S	Bend	trans	-68.6	131.6	171.5	-177	-79.8	0	0	0	110.8	I18 N19 L23 T24 R84	I18-D21 PolarHBondContact O-N 2.96Å; N19-D21 PolarHBondContact O-N 3.39Å; D21-L23 PolarHBondContact O-N 2.92Å; D21-L23 WeakPolarHBondContact OD1-CA 3.45Å; D21-L23 WeakPolarHBondContact OD1-CB 3.08Å; D21-L23 PolarHBondContact OD1-N 3.06Å; D21-T24 PolarHBondContact O-N 3.18Å; D21-R84 VanDerWaalsContact CG-NH2 3.29Å; D21-R84 IonicContact OD2-CZ 3.75Å; D21-R84 VanDerWaalsContact OD2-CZ 3.23Å; D21-R84 IonicContact OD2-NH1 2.94Å; D21-R84 PolarHBondContact OD2-NH1 3.05Å; D21-R84 IonicContact OD2-NH2 3.69Å; D21-R84 PolarHBondContact OD2-NH2 3.28Å
22	P	88.6	Confident	93.6	Very high	120 Å²	120	66.7 Å²	66.7	78%	0.779	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-21.9	-176.4	-25.6	34	0	0	0	115.6
23	L	89.8	Confident	93.7	Very high	80 Å²	80	69 Å²	69	42%	0.419	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	1.9	-179.7	-60.1	174.9	0	0	0	112.3	D21 N116	D21-L23 PolarHBondContact O-N 2.92Å; D21-L23 WeakPolarHBondContact OD1-CA 3.45Å; D21-L23 WeakPolarHBondContact OD1-CB 3.08Å; D21-L23 PolarHBondContact OD1-N 3.06Å; L23-N116 HydrophobicContact CD1-CB 4.34Å
24	T	91.1	Very high	93.8	Very high	15 Å²	15	65.8 Å²	65.8	9%	0.092	36%	0.356	C	S	.	.	S	Bend	trans	-100.9	114.5	176.3	-59.3	0	0	0	0	110.2	N19 D21 S78	N19-T24 HydrophobicContact CB-CG2 4.39Å; N19-T24 WeakPolarHBondContact OD1-CG2 3.36Å; D21-T24 PolarHBondContact O-N 3.18Å; T24-S78 WeakPolarHBondContact CB-OG 3.02Å; T24-S78 WeakPolarHBondContact CG2-OG 3.28Å; T24-S78 WeakPolarHBondContact OG1-CB 3.38Å; T24-S78 PolarHBondContact OG1-OG 2.88Å
25	E	88.6	Confident	94	Very high	78 Å²	78	60.8 Å²	60.8	36%	0.364	33%	0.334	S	S	.	.			trans	-69.6	135.2	173.6	-64.1	-61	159.5	0	0	110.6	N19 Y27 R113	N19-E25 PolarHBondContact ND2-O 3.23Å; E25-Y27 HydrophobicContact CB-CE1 4.29Å; E25-Y27 HydrophobicContact CB-CE2 4.17Å; E25-R113 IonicContact OE1-CZ 3.88Å; E25-R113 IonicContact OE1-NH2 2.78Å; E25-R113 PolarHBondContact OE1-NH2 3.47Å
26	T	91.6	Very high	94.2	Very high	88 Å²	88	61.5 Å²	61.5	54%	0.54	34%	0.339	S	S	.	.			trans	-104.7	103.9	173.2	-59.2	0	0	0	0	109.1	N19	N19-T26 WeakPolarHBondContact ND2-CA 3.33Å; N19-T26 PolarHBondContact ND2-OG1 3.16Å
27	Y	92.6	Very high	94.4	Very high	75 Å²	75	60.5 Å²	60.5	29%	0.294	34%	0.344	S	S	.	.			trans	-77.5	162.4	-179.1	-56.4	-79.5	0	0	0	111.8	E25 F31 Y32 M58 T75 A76	E25-Y27 HydrophobicContact CB-CE1 4.29Å; E25-Y27 HydrophobicContact CB-CE2 4.17Å; Y27-F31 AromaticContact CD1-CD1 3.79Å; Y27-F31 HydrophobicContact CD1-CD1 3.79Å; Y27-F31 AromaticContact CD1-CE1 3.78Å; Y27-F31 HydrophobicContact CD1-CE1 3.78Å; Y27-F31 HydrophobicContact CD1-CG 4.33Å; Y27-F31 HydrophobicContact CD1-CZ 4.33Å; Y27-F31 AromaticContact CD2-CD1 3.85Å; Y27-F31 HydrophobicContact CD2-CD1 3.85Å; Y27-F31 AromaticContact CD2-CE1 3.89Å; Y27-F31 HydrophobicContact CD2-CE1 3.89Å; Y27-F31 HydrophobicContact CE1-CD1 4.46Å; Y27-F31 AromaticContact CE1-CE1 3.99Å; Y27-F31 HydrophobicContact CE1-CE1 3.99Å; Y27-F31 HydrophobicContact CE1-CZ 4.34Å; Y27-F31 HydrophobicContact CE2-CE1 4.09Å; Y27-F31 AromaticContact CG-CD1 3.44Å; Y27-F31 HydrophobicContact CG-CD1 3.44Å; Y27-F31 VanDerWaalsContact CG-CD1 3.44Å; Y27-F31 AromaticContact CG-CE1 3.72Å; Y27-F31 HydrophobicContact CG-CE1 3.72Å; Y27-F31 HydrophobicContact CG-CG 4.19Å; Y27-Y32 HydrophobicContact CD2-CE1 4.21Å; Y27-Y32 AromaticContact CD2-CZ 3.97Å; Y27-Y32 PolarHBondContact N-OH 2.81Å; Y27-Y32 WeakPolarHBondContact O-CE2 3.42Å; Y27-M58 HydrophobicContact CD2-CE 4.13Å; Y27-M58 HydrophobicContact CE2-CE 4.1Å; Y27-T75 PolarHBondContact OH-O 3.03Å; Y27-A76 HydrophobicContact CE2-CB 4.33Å
28	G	94.3	Very high	94.5	Very high	47 Å²	47	64.2 Å²	64.2	49%	0.485	36%	0.36	S	S	.	.			trans	-66	152	170.9	0	0	0	0	0	112	P30 F31	G28-P30 VanDerWaalsContact C-N 3.3Å; G28-F31 VanDerWaalsContact O-CB 3.32Å; G28-F31 WeakPolarHBondContact O-CB 3.43Å; G28-F31 PolarHBondContact O-N 2.88Å
29	I	95.3	Very high	94.6	Very high	107 Å²	107	66.6 Å²	66.6	55%	0.549	37%	0.369	S	S	.	.	H	α-helix	trans	-47.9	-43.6	176.8	-64.8	174.2	0	0	0	113.2	F31 Y32 L33	I29-F31 PolarHBondContact O-N 3.27Å; I29-Y32 PolarHBondContact O-N 2.76Å; I29-L33 HydrophobicContact CG2-CD1 3.68Å; I29-L33 HydrophobicContact CG2-CG 3.97Å; I29-L33 WeakPolarHBondContact O-CG 3.14Å; I29-L33 PolarHBondContact O-N 3.32Å
30	P	97.4	Very high	94.7	Very high	101 Å²	101	69 Å²	69	66%	0.656	39%	0.385	S	S	*	.	H	α-helix	trans	-57.4	-33.7	179.4	-26.2	35.9	0	0	0	113.8	G28 Q34	G28-P30 VanDerWaalsContact C-N 3.3Å; P30-Q34 WeakPolarHBondContact O-CB 3.22Å; P30-Q34 PolarHBondContact O-N 2.96Å
31	F	96.9	Very high	95	Very high	62 Å²	62	65.7 Å²	65.7	27%	0.272	37%	0.366	S	S	.	.	H	α-helix	trans	-68.3	-49.3	-179.7	-168.6	-100.1	0	0	0	111.1	Y27 G28 I29 L33 Q34 Y35 M58 T75	Y27-F31 AromaticContact CD1-CD1 3.79Å; Y27-F31 HydrophobicContact CD1-CD1 3.79Å; Y27-F31 AromaticContact CD1-CE1 3.78Å; Y27-F31 HydrophobicContact CD1-CE1 3.78Å; Y27-F31 HydrophobicContact CD1-CG 4.33Å; Y27-F31 HydrophobicContact CD1-CZ 4.33Å; Y27-F31 AromaticContact CD2-CD1 3.85Å; Y27-F31 HydrophobicContact CD2-CD1 3.85Å; Y27-F31 AromaticContact CD2-CE1 3.89Å; Y27-F31 HydrophobicContact CD2-CE1 3.89Å; Y27-F31 HydrophobicContact CE1-CD1 4.46Å; Y27-F31 AromaticContact CE1-CE1 3.99Å; Y27-F31 HydrophobicContact CE1-CE1 3.99Å; Y27-F31 HydrophobicContact CE1-CZ 4.34Å; Y27-F31 HydrophobicContact CE2-CE1 4.09Å; Y27-F31 AromaticContact CG-CD1 3.44Å; Y27-F31 HydrophobicContact CG-CD1 3.44Å; Y27-F31 VanDerWaalsContact CG-CD1 3.44Å; Y27-F31 AromaticContact CG-CE1 3.72Å; Y27-F31 HydrophobicContact CG-CE1 3.72Å; Y27-F31 HydrophobicContact CG-CG 4.19Å; G28-F31 VanDerWaalsContact O-CB 3.32Å; G28-F31 WeakPolarHBondContact O-CB 3.43Å; G28-F31 PolarHBondContact O-N 2.88Å; I29-F31 PolarHBondContact O-N 3.27Å; F31-L33 VanDerWaalsContact C-N 3.33Å; F31-L33 PolarHBondContact O-N 3.03Å; F31-Q34 WeakPolarHBondContact O-CB 3.4Å; F31-Q34 PolarHBondContact O-N 2.92Å; F31-Y35 HydrophobicContact CD1-CD2 4.34Å; F31-Y35 HydrophobicContact CD1-CE2 4.23Å; F31-Y35 HydrophobicContact CD2-CE2 4.41Å; F31-Y35 HydrophobicContact CE1-CD2 4.18Å; F31-Y35 AromaticContact CE1-CE2 3.68Å; F31-Y35 HydrophobicContact CE1-CE2 3.68Å; F31-Y35 AromaticContact CE2-CE2 3.87Å; F31-Y35 HydrophobicContact CE2-CE2 3.87Å; F31-Y35 HydrophobicContact CZ-CD2 4.35Å; F31-Y35 AromaticContact CZ-CE2 3.48Å; F31-Y35 HydrophobicContact CZ-CE2 3.48Å; F31-Y35 VanDerWaalsContact CZ-CE2 3.48Å; F31-Y35 AromaticContact CZ-CZ 3.99Å; F31-Y35 WeakPolarHBondContact O-CD2 3.35Å; F31-Y35 PolarHBondContact O-N 3.34Å; F31-M58 HydrophobicContact CD1-CE 4Å; F31-M58 HydrophobicContact CE1-CE 3.58Å; F31-T75 HydrophobicContact CE1-CG2 3.73Å; F31-T75 HydrophobicContact CZ-CG2 3.78Å
32	Y	97.6	Very high	95.3	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.016	36%	0.361	C	S	.	.	H	α-helix	trans	-60.1	-42.5	175.2	-68.2	-68	0	0	0	112.4	L12 F15 N19 Y27 I29 Q34 Y35 L36 F43 M58	L12-Y32 HydrophobicContact CD2-CD1 4.22Å; L12-Y32 HydrophobicContact CD2-CD2 3.82Å; L12-Y32 HydrophobicContact CD2-CE2 4.49Å; L12-Y32 HydrophobicContact CD2-CG 3.66Å; F15-Y32 HydrophobicContact CE2-CE1 4.32Å; F15-Y32 HydrophobicContact CE2-CE2 4.19Å; F15-Y32 AromaticContact CE2-CZ 3.76Å; F15-Y32 AromaticContact CZ-CE2 3.95Å; F15-Y32 HydrophobicContact CZ-CE2 3.95Å; N19-Y32 PolarHBondContact ND2-OH 2.91Å; Y27-Y32 HydrophobicContact CD2-CE1 4.21Å; Y27-Y32 AromaticContact CD2-CZ 3.97Å; Y27-Y32 PolarHBondContact N-OH 2.81Å; Y27-Y32 WeakPolarHBondContact O-CE2 3.42Å; I29-Y32 PolarHBondContact O-N 2.76Å; Y32-Q34 VanDerWaalsContact C-N 3.34Å; Y32-Q34 PolarHBondContact O-N 3.35Å; Y32-Y35 PolarHBondContact O-N 3.15Å; Y32-L36 WeakPolarHBondContact O-CG 3.47Å; Y32-L36 PolarHBondContact O-N 3.16Å; Y32-F43 HydrophobicContact CD1-CE1 4.14Å; Y32-F43 AromaticContact CD1-CZ 3.93Å; Y32-F43 HydrophobicContact CD1-CZ 3.93Å; Y32-F43 HydrophobicContact CE1-CZ 4.47Å; Y32-M58 HydrophobicContact CD1-CE 4.36Å; Y32-M58 HydrophobicContact CD1-SD 3.76Å; Y32-M58 HydrophobicContact CE1-CE 4.25Å; Y32-M58 HydrophobicContact CE1-SD 4.13Å
33	L	97.5	Very high	95.8	Very high	73 Å²	73	59.2 Å²	59.2	38%	0.382	32%	0.324	S	S	.	.	H	α-helix	trans	-66.5	-34.7	178.6	-66.4	-177.9	0	0	0	112.5	L12 I29 F31 L36 A37	L12-L33 HydrophobicContact CD1-CD2 4.23Å; I29-L33 HydrophobicContact CG2-CD1 3.68Å; I29-L33 HydrophobicContact CG2-CG 3.97Å; I29-L33 WeakPolarHBondContact O-CG 3.14Å; I29-L33 PolarHBondContact O-N 3.32Å; F31-L33 VanDerWaalsContact C-N 3.33Å; F31-L33 PolarHBondContact O-N 3.03Å; L33-L36 HydrophobicContact CD2-CD1 4.29Å; L33-L36 PolarHBondContact O-N 3.1Å; L33-A37 WeakPolarHBondContact O-CB 3.46Å; L33-A37 PolarHBondContact O-N 3.13Å
34	Q	97.9	Very high	96.2	Very high	92 Å²	92	56 Å²	56	43%	0.43	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-46	173.9	-178.6	-177.3	3.8	0	0	111	P30 F31 Y32 A37 H38	P30-Q34 WeakPolarHBondContact O-CB 3.22Å; P30-Q34 PolarHBondContact O-N 2.96Å; F31-Q34 WeakPolarHBondContact O-CB 3.4Å; F31-Q34 PolarHBondContact O-N 2.92Å; Y32-Q34 VanDerWaalsContact C-N 3.34Å; Y32-Q34 PolarHBondContact O-N 3.35Å; Q34-A37 PolarHBondContact O-N 2.96Å; Q34-H38 PolarHBondContact O-N 2.74Å; Q34-H38 PolarHBondContact O-ND1 2.83Å
35	Y	98.1	Very high	96.6	Very high	10 Å²	10	55.3 Å²	55.3	4%	0.039	30%	0.303	C	S	.	.	H	α-helix	trans	-65.4	-42.8	178.3	-86.1	-108	0	0	0	112.2	F31 Y32 A37 H38 W39 M58 G59 K60 T75	F31-Y35 HydrophobicContact CD1-CD2 4.34Å; F31-Y35 HydrophobicContact CD1-CE2 4.23Å; F31-Y35 HydrophobicContact CD2-CE2 4.41Å; F31-Y35 HydrophobicContact CE1-CD2 4.18Å; F31-Y35 AromaticContact CE1-CE2 3.68Å; F31-Y35 HydrophobicContact CE1-CE2 3.68Å; F31-Y35 AromaticContact CE2-CE2 3.87Å; F31-Y35 HydrophobicContact CE2-CE2 3.87Å; F31-Y35 HydrophobicContact CZ-CD2 4.35Å; F31-Y35 AromaticContact CZ-CE2 3.48Å; F31-Y35 HydrophobicContact CZ-CE2 3.48Å; F31-Y35 VanDerWaalsContact CZ-CE2 3.48Å; F31-Y35 AromaticContact CZ-CZ 3.99Å; F31-Y35 WeakPolarHBondContact O-CD2 3.35Å; F31-Y35 PolarHBondContact O-N 3.34Å; Y32-Y35 PolarHBondContact O-N 3.15Å; Y35-A37 PolarHBondContact O-N 3.13Å; Y35-H38 PolarHBondContact O-N 3.48Å; Y35-W39 HydrophobicContact CD1-CE3 4.02Å; Y35-W39 HydrophobicContact CD2-CZ3 4.49Å; Y35-W39 HydrophobicContact CE1-CE3 4.27Å; Y35-W39 HydrophobicContact CE2-CZ3 4.42Å; Y35-W39 HydrophobicContact CG-CE3 4.21Å; Y35-W39 CarbonylContact O-C 3.58Å; Y35-W39 VanDerWaalsContact O-C 3.26Å; Y35-W39 WeakPolarHBondContact O-CA 3.18Å; Y35-W39 PolarHBondContact O-N 2.85Å; Y35-M58 HydrophobicContact CD1-CG 3.47Å; Y35-M58 VanDerWaalsContact CD1-CG 3.47Å; Y35-M58 HydrophobicContact CD1-SD 3.99Å; Y35-M58 HydrophobicContact CD2-SD 4.32Å; Y35-M58 HydrophobicContact CE1-CG 4.07Å; Y35-M58 HydrophobicContact CG-CG 3.9Å; Y35-M58 HydrophobicContact CG-SD 3.81Å; Y35-G59 VanDerWaalsContact CD1-O 3.26Å; Y35-G59 WeakPolarHBondContact CD1-O 3.07Å; Y35-G59 WeakPolarHBondContact CE1-O 3.38Å; Y35-K60 HydrophobicContact CE1-CB 3.85Å; Y35-K60 HydrophobicContact CE1-CD 4.31Å; Y35-K60 HydrophobicContact CE1-CG 4.07Å; Y35-K60 WeakPolarHBondContact OH-CD 3.4Å; Y35-K60 WeakPolarHBondContact OH-CE 3.48Å; Y35-T75 HydrophobicContact CE1-CG2 4.17Å; Y35-T75 VanDerWaalsContact CE1-OG1 3.25Å; Y35-T75 WeakPolarHBondContact CE1-OG1 3.32Å; Y35-T75 HydrophobicContact CE2-CG2 4.49Å; Y35-T75 VanDerWaalsContact OH-CG2 3.32Å; Y35-T75 WeakPolarHBondContact OH-CG2 3.35Å; Y35-T75 PolarHBondContact OH-OG1 2.96Å
36	L	97.5	Very high	97.1	Very high	27 Å²	27	51.6 Å²	51.6	14%	0.141	29%	0.286	C	S	.	.	H	α-helix	trans	-59.9	-33	174	-76	169.1	0	0	0	112.9	F7 Y32 L33 P40 F43	F7-L36 HydrophobicContact CB-CD2 4.45Å; F7-L36 HydrophobicContact CD1-CD1 4.32Å; F7-L36 HydrophobicContact CD1-CD2 4.16Å; F7-L36 VanDerWaalsContact O-CD2 3.25Å; F7-L36 WeakPolarHBondContact O-CD2 3.37Å; Y32-L36 WeakPolarHBondContact O-CG 3.47Å; Y32-L36 PolarHBondContact O-N 3.16Å; L33-L36 HydrophobicContact CD2-CD1 4.29Å; L33-L36 PolarHBondContact O-N 3.1Å; L36-P40 WeakPolarHBondContact O-CB 3.5Å; L36-F43 HydrophobicContact CD1-CE1 4.48Å; L36-F43 HydrophobicContact CD2-CB 4.48Å; L36-F43 HydrophobicContact CD2-CD1 3.6Å; L36-F43 HydrophobicContact CD2-CE1 4.16Å; L36-F43 HydrophobicContact CD2-CG 4.29Å; L36-F43 HydrophobicContact CG-CD1 3.72Å; L36-F43 HydrophobicContact CG-CE1 3.95Å
37	A	97.7	Very high	97.4	Very high	77 Å²	77	49.6 Å²	49.6	64%	0.636	27%	0.271	S	S	*	.	H	α-helix	trans	-80.2	-39.6	179.4	0	0	0	0	0	113.4	L33 Q34 Y35	L33-A37 WeakPolarHBondContact O-CB 3.46Å; L33-A37 PolarHBondContact O-N 3.13Å; Q34-A37 PolarHBondContact O-N 2.96Å; Y35-A37 PolarHBondContact O-N 3.13Å
38	H	97.4	Very high	97.6	Very high	118 Å²	118	46.5 Å²	46.5	55%	0.546	26%	0.26	S	S	.	.	H	α-helix	trans	-96.2	-33.3	-171.7	-66.9	81.6	0	0	0	113.7	Q34 Y35	Q34-H38 PolarHBondContact O-N 2.74Å; Q34-H38 PolarHBondContact O-ND1 2.83Å; Y35-H38 PolarHBondContact O-N 3.48Å
39	W	98.4	Very high	97.6	Very high	50 Å²	50	49.3 Å²	49.3	19%	0.189	27%	0.27	C	S	.	.			trans	-138.3	50.5	-173.9	-56.1	-73.1	0	0	0	112.4	Y35 E41 Y42 K60 A61	Y35-W39 HydrophobicContact CD1-CE3 4.02Å; Y35-W39 HydrophobicContact CD2-CZ3 4.49Å; Y35-W39 HydrophobicContact CE1-CE3 4.27Å; Y35-W39 HydrophobicContact CE2-CZ3 4.42Å; Y35-W39 HydrophobicContact CG-CE3 4.21Å; Y35-W39 CarbonylContact O-C 3.58Å; Y35-W39 VanDerWaalsContact O-C 3.26Å; Y35-W39 WeakPolarHBondContact O-CA 3.18Å; Y35-W39 PolarHBondContact O-N 2.85Å; W39-E41 WeakPolarHBondContact CA-OE2 3.44Å; W39-E41 PolarHBondContact O-N 3.44Å; W39-E41 VanDerWaalsContact O-N 3.13Å; W39-Y42 HydrophobicContact CB-CD2 4.04Å; W39-Y42 PolarHBondContact O-N 2.77Å; W39-K60 HydrophobicContact CD2-CB 3.4Å; W39-K60 HydrophobicContact CE3-CB 3.52Å; W39-K60 HydrophobicContact CG-CB 3.9Å; W39-K60 HydrophobicContact CH2-CB 4.08Å; W39-K60 HydrophobicContact CH2-CD 4.14Å; W39-K60 HydrophobicContact CZ2-CB 3.95Å; W39-K60 HydrophobicContact CZ2-CD 4.5Å; W39-K60 HydrophobicContact CZ3-CB 3.87Å; W39-K60 HydrophobicContact CZ3-CD 4.27Å; W39-A61 PolarHBondContact NE1-O 3.35Å
40	P	97.9	Very high	97.5	Very high	61 Å²	61	48 Å²	48	40%	0.396	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-57.5	-29.3	-178.2	24.2	-34.7	0	0	0	113.6	L36 Y42 F43	L36-P40 WeakPolarHBondContact O-CB 3.5Å; P40-Y42 VanDerWaalsContact C-N 3.27Å; P40-Y42 PolarHBondContact O-N 2.8Å; P40-F43 PolarHBondContact O-N 2.85Å
41	E	97.8	Very high	97.3	Very high	76 Å²	76	44.6 Å²	44.6	36%	0.355	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-66.6	-28.5	177.3	64.7	-88.8	-129.4	0	0	112.9	W39 F43 I99 K103	W39-E41 WeakPolarHBondContact CA-OE2 3.44Å; W39-E41 PolarHBondContact O-N 3.44Å; W39-E41 VanDerWaalsContact O-N 3.13Å; E41-F43 VanDerWaalsContact C-N 3.3Å; E41-I99 HydrophobicContact CB-CG2 4.48Å; E41-I99 HydrophobicContact CG-CG2 3.82Å; E41-I99 WeakPolarHBondContact O-CD1 3.45Å; E41-K103 WeakPolarHBondContact OE1-CE 3.48Å; E41-K103 IonicContact OE1-NZ 3.17Å; E41-K103 PolarHBondContact OE1-NZ 3.21Å
42	Y	98.4	Very high	97.3	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.008	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-88.3	1.9	178.9	-76.1	-75.9	0	0	0	113.3	W39 P40 G59 A61 L96 I99 S100 K103	W39-Y42 HydrophobicContact CB-CD2 4.04Å; W39-Y42 PolarHBondContact O-N 2.77Å; P40-Y42 VanDerWaalsContact C-N 3.27Å; P40-Y42 PolarHBondContact O-N 2.8Å; Y42-G59 VanDerWaalsContact CB-C 3.49Å; Y42-G59 WeakPolarHBondContact CB-O 3.33Å; Y42-G59 PolarHBondContact O-N 2.81Å; Y42-G59 VanDerWaalsContact O-N 3.1Å; Y42-A61 HydrophobicContact CE2-CB 3.75Å; Y42-L96 HydrophobicContact CD1-CD1 3.95Å; Y42-L96 HydrophobicContact CD1-CG 3.76Å; Y42-L96 HydrophobicContact CE1-CG 4.02Å; Y42-I99 HydrophobicContact CD1-CB 4.34Å; Y42-I99 HydrophobicContact CD1-CG2 4.06Å; Y42-I99 HydrophobicContact CD2-CG2 4.18Å; Y42-I99 HydrophobicContact CE1-CB 3.84Å; Y42-I99 HydrophobicContact CE1-CG2 3.56Å; Y42-I99 HydrophobicContact CE2-CG2 3.73Å; Y42-I99 HydrophobicContact CG-CG2 4.36Å; Y42-S100 WeakPolarHBondContact CE1-OG 3.39Å; Y42-S100 VanDerWaalsContact OH-CA 3.3Å; Y42-S100 WeakPolarHBondContact OH-CA 3.5Å; Y42-S100 PolarHBondContact OH-N 2.93Å; Y42-S100 PolarHBondContact OH-OG 3.25Å; Y42-K103 HydrophobicContact CE2-CD 3.95Å
43	F	98.5	Very high	97.3	Very high	1 Å²	1	46.1 Å²	46.1	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	95.5	179.6	-154.1	167.2	0	0	0	110.5	F7 Y32 L36 P40 E41 Y56 I57 M58	F7-F43 HydrophobicContact CB-CB 4.2Å; F7-F43 HydrophobicContact CB-CD1 4.13Å; F7-F43 HydrophobicContact CB-CD2 3.34Å; F7-F43 HydrophobicContact CB-CE1 4.38Å; F7-F43 HydrophobicContact CB-CE2 3.66Å; F7-F43 HydrophobicContact CB-CG 3.61Å; F7-F43 HydrophobicContact CB-CZ 4.16Å; F7-F43 HydrophobicContact CD1-CD1 4.19Å; F7-F43 HydrophobicContact CD1-CD2 4.3Å; F7-F43 AromaticContact CD1-CE1 3.7Å; F7-F43 HydrophobicContact CD1-CE1 3.7Å; F7-F43 AromaticContact CD1-CE2 3.85Å; F7-F43 HydrophobicContact CD1-CE2 3.85Å; F7-F43 HydrophobicContact CD1-CG 4.47Å; F7-F43 AromaticContact CD1-CZ 3.52Å; F7-F43 HydrophobicContact CD1-CZ 3.52Å; F7-F43 AromaticContact CD2-CD2 3.92Å; F7-F43 HydrophobicContact CD2-CD2 3.92Å; F7-F43 AromaticContact CD2-CE2 3.32Å; F7-F43 HydrophobicContact CD2-CE2 3.32Å; F7-F43 AromaticContact CD2-CZ 3.74Å; F7-F43 HydrophobicContact CD2-CZ 3.74Å; F7-F43 HydrophobicContact CE1-CE1 4.09Å; F7-F43 HydrophobicContact CE1-CE2 4.31Å; F7-F43 AromaticContact CE1-CZ 3.71Å; F7-F43 HydrophobicContact CE1-CZ 3.71Å; F7-F43 AromaticContact CE2-CE2 3.86Å; F7-F43 HydrophobicContact CE2-CE2 3.86Å; F7-F43 AromaticContact CE2-CZ 3.94Å; F7-F43 HydrophobicContact CE2-CZ 3.94Å; F7-F43 HydrophobicContact CG-CD1 4.27Å; F7-F43 AromaticContact CG-CD2 3.62Å; F7-F43 HydrophobicContact CG-CD2 3.62Å; F7-F43 HydrophobicContact CG-CE1 4.01Å; F7-F43 AromaticContact CG-CE2 3.33Å; F7-F43 HydrophobicContact CG-CE2 3.33Å; F7-F43 HydrophobicContact CG-CG 4.1Å; F7-F43 AromaticContact CG-CZ 3.54Å; F7-F43 HydrophobicContact CG-CZ 3.54Å; F7-F43 HydrophobicContact CZ-CE2 4.32Å; F7-F43 AromaticContact CZ-CZ 3.93Å; F7-F43 HydrophobicContact CZ-CZ 3.93Å; F7-F43 PolarHBondContact N-O 2.78Å; Y32-F43 HydrophobicContact CD1-CE1 4.14Å; Y32-F43 AromaticContact CD1-CZ 3.93Å; Y32-F43 HydrophobicContact CD1-CZ 3.93Å; Y32-F43 HydrophobicContact CE1-CZ 4.47Å; L36-F43 HydrophobicContact CD1-CE1 4.48Å; L36-F43 HydrophobicContact CD2-CB 4.48Å; L36-F43 HydrophobicContact CD2-CD1 3.6Å; L36-F43 HydrophobicContact CD2-CE1 4.16Å; L36-F43 HydrophobicContact CD2-CG 4.29Å; L36-F43 HydrophobicContact CG-CD1 3.72Å; L36-F43 HydrophobicContact CG-CE1 3.95Å; P40-F43 PolarHBondContact O-N 2.85Å; E41-F43 VanDerWaalsContact C-N 3.3Å; F43-Y56 AromaticContact CE2-CD2 3.71Å; F43-Y56 HydrophobicContact CE2-CD2 3.71Å; F43-Y56 HydrophobicContact CE2-CE2 4.35Å; F43-Y56 HydrophobicContact CE2-CG 4.27Å; F43-Y56 HydrophobicContact CZ-CD2 4.5Å; F43-I57 WeakPolarHBondContact CA-O 3.34Å; F43-I57 VanDerWaalsContact CD2-O 3.29Å; F43-I57 WeakPolarHBondContact CD2-O 3.47Å; F43-M58 HydrophobicContact CD1-CG 4.08Å; F43-M58 HydrophobicContact CD1-SD 4.22Å; F43-M58 HydrophobicContact CD2-CB 3.94Å; F43-M58 HydrophobicContact CD2-CG 4.21Å; F43-M58 HydrophobicContact CE1-CG 4.13Å; F43-M58 HydrophobicContact CE1-SD 3.73Å; F43-M58 HydrophobicContact CE2-CB 3.9Å; F43-M58 HydrophobicContact CE2-CG 4.24Å; F43-M58 HydrophobicContact CE2-SD 4.41Å; F43-M58 HydrophobicContact CG-CB 4.34Å; F43-M58 HydrophobicContact CG-CG 4.14Å; F43-M58 HydrophobicContact CZ-CB 4.28Å; F43-M58 HydrophobicContact CZ-CG 4.21Å; F43-M58 HydrophobicContact CZ-SD 3.84Å
44	I	98.6	Very high	97.3	Very high	13 Å²	13	43 Å²	43	7%	0.067	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	140	-173.1	-56.6	170.6	0	0	0	109.4	L4 R5 Y56 I57 L92 M95 I99	L4-I44 HydrophobicContact CB-CG2 4.49Å; R5-I44 WeakPolarHBondContact O-CA 3.31Å; R5-I44 WeakPolarHBondContact O-CG2 2.82Å; I44-Y56 CarbonylContact O-C 3.56Å; I44-Y56 VanDerWaalsContact O-CA 3.24Å; I44-Y56 WeakPolarHBondContact O-CA 3.27Å; I44-Y56 WeakPolarHBondContact O-CB 3.28Å; I44-I57 HydrophobicContact CB-CG2 3.9Å; I44-I57 PolarHBondContact N-O 2.88Å; I44-I57 PolarHBondContact O-N 2.85Å; I44-L92 HydrophobicContact CB-CD2 4.34Å; I44-L92 HydrophobicContact CG2-CD2 3.91Å; I44-M95 HydrophobicContact CD1-CB 3.65Å; I44-M95 HydrophobicContact CD1-CE 4.18Å; I44-M95 HydrophobicContact CD1-CG 4.37Å; I44-I99 HydrophobicContact CD1-CD1 4Å
45	V	98.5	Very high	97.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	144.3	175.6	69.5	0	0	0	0	111	L4 R5 F7 L53 G55	L4-V45 WeakPolarHBondContact CA-O 3.24Å; R5-V45 HydrophobicContact CG-CG1 3.74Å; R5-V45 PolarHBondContact N-O 3.08Å; R5-V45 PolarHBondContact O-N 3.03Å; F7-V45 HydrophobicContact CD2-CB 4.02Å; F7-V45 HydrophobicContact CD2-CG2 4.32Å; V45-L53 HydrophobicContact CG2-CB 4.3Å; V45-L53 HydrophobicContact CG2-CD1 4.15Å; V45-L53 HydrophobicContact CG2-CD2 3.76Å; V45-L53 HydrophobicContact CG2-CG 4.28Å; V45-G55 WeakPolarHBondContact CG2-O 3.49Å
46	A	98.4	Very high	97.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	124.7	168.5	0	0	0	0	0	109.4	T2 T3 L4 M54 G55 L88	T2-A46 HydrophobicContact CG2-CB 4Å; T3-A46 WeakPolarHBondContact O-CA 3.48Å; L4-A46 HydrophobicContact CD2-CB 3.68Å; A46-M54 HydrophobicContact CB-CB 4.2Å; A46-M54 WeakPolarHBondContact O-CB 3.32Å; A46-M54 PolarHBondContact O-N 3.19Å; A46-G55 PolarHBondContact N-O 3.3Å; A46-L88 HydrophobicContact CB-CD2 4.4Å
47	E	98.1	Very high	97.4	Very high	46 Å²	46	36.8 Å²	36.8	22%	0.215	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	134.3	-178.1	-171.9	178.8	148.1	0	0	110.7	T2 T3 R5 G51 E52 L53	T2-E47 WeakPolarHBondContact CA-O 3.45Å; T3-E47 PolarHBondContact N-O 3.3Å; T3-E47 PolarHBondContact O-N 3.14Å; R5-E47 IonicContact CZ-OE2 2.81Å; R5-E47 IonicContact NE-OE2 3.65Å; R5-E47 PolarHBondContact NE-OE2 3.24Å; R5-E47 IonicContact NH2-OE2 2.97Å; R5-E47 PolarHBondContact NH2-OE2 3.43Å; E47-G51 VanDerWaalsContact OE1-CA 3.31Å; E47-G51 WeakPolarHBondContact OE1-CA 3.33Å; E47-E52 WeakPolarHBondContact CA-O 3.32Å; E47-L53 HydrophobicContact CB-CD2 4.41Å; E47-L53 HydrophobicContact CG-CD2 4.28Å
48	A	97	Very high	97.4	Very high	10 Å²	10	33.1 Å²	33.1	8%	0.083	20%	0.198	C	C	.	.			trans	-74.9	160.1	175	0	0	0	0	0	110.8	G50 G51 E52 M54 F83	A48-G50 PolarHBondContact O-N 2.88Å; A48-G51 PolarHBondContact O-N 2.97Å; A48-E52 HydrophobicContact CB-CB 4.28Å; A48-E52 WeakPolarHBondContact CB-O 3.38Å; A48-E52 PolarHBondContact N-O 3.04Å; A48-M54 HydrophobicContact CB-CG 3.75Å; A48-M54 HydrophobicContact CB-SD 3.85Å; A48-F83 HydrophobicContact CB-CZ 4.39Å
49	P	94.6	Very high	97.5	Very high	105 Å²	105	27.5 Å²	27.5	68%	0.682	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.1	177	-28.1	35.9	0	0	0	115.3	M1 G51	M1-P49 VanDerWaalsContact N-CG 3.3Å; M1-P49 WeakPolarHBondContact O-CG 3.14Å; P49-G51 VanDerWaalsContact C-N 3.3Å
50	G	93.5	Very high	97.5	Very high	79 Å²	79	27 Å²	27	81%	0.814	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	2.3	178.6	0	0	0	0	0	114.8	A48	A48-G50 PolarHBondContact O-N 2.88Å
51	G	93.5	Very high	97.5	Very high	31 Å²	31	24.4 Å²	24.4	32%	0.32	16%	0.155	S	C	.	.	S	Bend	trans	87.9	-0	-177.8	0	0	0	0	0	115.2	E47 A48 P49	E47-G51 VanDerWaalsContact OE1-CA 3.31Å; E47-G51 WeakPolarHBondContact OE1-CA 3.33Å; A48-G51 PolarHBondContact O-N 2.97Å; P49-G51 VanDerWaalsContact C-N 3.3Å
52	E	95.8	Very high	97.4	Very high	95 Å²	95	23.7 Å²	23.7	44%	0.444	15%	0.152	S	C	.	.			trans	-76.3	135.3	178.4	-176.2	170.6	-149.9	0	0	111	E47 A48 M54 F83	E47-E52 WeakPolarHBondContact CA-O 3.32Å; A48-E52 HydrophobicContact CB-CB 4.28Å; A48-E52 WeakPolarHBondContact CB-O 3.38Å; A48-E52 PolarHBondContact N-O 3.04Å; E52-M54 PolarHBondContact O-N 3.29Å; E52-F83 HydrophobicContact CG-CE2 4.13Å; E52-F83 HydrophobicContact CG-CZ 4.39Å; E52-F83 WeakPolarHBondContact OE2-CZ 3.37Å
53	L	97.8	Very high	97.2	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	124.6	176.5	-56.3	-171.6	0	0	0	109.4	D11 K14 F15 N17 I18 V45 E47	D11-L53 HydrophobicContact CB-CD1 3.82Å; K14-L53 HydrophobicContact CB-CD1 3.89Å; K14-L53 HydrophobicContact CB-CG 4.21Å; F15-L53 HydrophobicContact CB-CD1 4.07Å; N17-L53 PolarHBondContact ND2-O 3.02Å; I18-L53 HydrophobicContact CD1-CB 3.67Å; V45-L53 HydrophobicContact CG2-CB 4.3Å; V45-L53 HydrophobicContact CG2-CD1 4.15Å; V45-L53 HydrophobicContact CG2-CD2 3.76Å; V45-L53 HydrophobicContact CG2-CG 4.28Å; E47-L53 HydrophobicContact CB-CD2 4.41Å; E47-L53 HydrophobicContact CG-CD2 4.28Å
54	M	98.3	Very high	96.9	Very high	7 Å²	7	27.9 Å²	27.9	3%	0.034	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-29.6	-177.6	-56.2	173.5	80.2	0	0	112.1	T2 A46 A48 E52 V79 A80 F83 L86 L88	T2-M54 HydrophobicContact CG2-SD 3.54Å; T2-M54 VanDerWaalsContact CG2-SD 3.54Å; T2-M54 WeakPolarHBondContact OG1-CE 3.41Å; T2-M54 PolarHBondContact OG1-SD 3.19Å; A46-M54 HydrophobicContact CB-CB 4.2Å; A46-M54 WeakPolarHBondContact O-CB 3.32Å; A46-M54 PolarHBondContact O-N 3.19Å; A48-M54 HydrophobicContact CB-CG 3.75Å; A48-M54 HydrophobicContact CB-SD 3.85Å; E52-M54 PolarHBondContact O-N 3.29Å; M54-V79 CarbonylContact O-C 3.5Å; M54-V79 WeakPolarHBondContact O-CA 3.42Å; M54-V79 WeakPolarHBondContact O-CG1 3.43Å; M54-A80 PolarHBondContact O-N 3.13Å; M54-F83 HydrophobicContact CB-CB 4.04Å; M54-F83 HydrophobicContact CB-CD1 4.49Å; M54-F83 HydrophobicContact CB-CD2 3.77Å; M54-F83 HydrophobicContact CB-CE2 4.37Å; M54-F83 HydrophobicContact CB-CG 3.84Å; M54-F83 HydrophobicContact CE-CB 4.03Å; M54-F83 HydrophobicContact CE-CD1 3.31Å; M54-F83 HydrophobicContact CE-CE1 3.89Å; M54-F83 HydrophobicContact CE-CG 3.75Å; M54-F83 HydrophobicContact CG-CD1 4.07Å; M54-F83 HydrophobicContact CG-CD2 3.86Å; M54-F83 HydrophobicContact CG-CE1 4.22Å; M54-F83 HydrophobicContact CG-CE2 4.04Å; M54-F83 HydrophobicContact CG-CG 3.88Å; M54-F83 HydrophobicContact CG-CZ 4.22Å; M54-L86 HydrophobicContact CE-CD1 4.34Å; M54-L88 HydrophobicContact CB-CD1 3.91Å; M54-L88 HydrophobicContact CE-CD1 3.69Å; M54-L88 HydrophobicContact SD-CD1 4.32Å
55	G	98.2	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173	162.6	-177.4	0	0	0	0	0	111.2	V45 A46 S78	V45-G55 WeakPolarHBondContact CG2-O 3.49Å; A46-G55 PolarHBondContact N-O 3.3Å; G55-S78 CarbonylContact C-O 3.6Å; G55-S78 WeakPolarHBondContact CA-O 3.42Å
56	Y	98.6	Very high	96.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	160.6	174.3	67.8	-90	0	0	0	110.9	F7 F15 I18 N19 F43 I44 M58 A76 S78	F7-Y56 HydrophobicContact CE2-CG 4.48Å; F15-Y56 AromaticContact CD2-CE1 3.84Å; F15-Y56 HydrophobicContact CD2-CE1 3.84Å; I18-Y56 HydrophobicContact CB-CE1 4.39Å; I18-Y56 HydrophobicContact CD1-CD1 4.08Å; I18-Y56 HydrophobicContact CG2-CD1 3.95Å; I18-Y56 HydrophobicContact CG2-CE1 3.7Å; N19-Y56 VanDerWaalsContact OD1-CE1 3.22Å; N19-Y56 WeakPolarHBondContact OD1-CE1 3.4Å; N19-Y56 PolarHBondContact OD1-OH 3.31Å; F43-Y56 AromaticContact CE2-CD2 3.71Å; F43-Y56 HydrophobicContact CE2-CD2 3.71Å; F43-Y56 HydrophobicContact CE2-CE2 4.35Å; F43-Y56 HydrophobicContact CE2-CG 4.27Å; F43-Y56 HydrophobicContact CZ-CD2 4.5Å; I44-Y56 CarbonylContact O-C 3.56Å; I44-Y56 VanDerWaalsContact O-CA 3.24Å; I44-Y56 WeakPolarHBondContact O-CA 3.27Å; I44-Y56 WeakPolarHBondContact O-CB 3.28Å; Y56-M58 HydrophobicContact CD2-CB 4.38Å; Y56-M58 HydrophobicContact CE2-CB 4.43Å; Y56-A76 HydrophobicContact CE2-CB 3.92Å; Y56-S78 PolarHBondContact N-O 3.19Å; Y56-S78 PolarHBondContact O-N 3.47Å; Y56-S78 VanDerWaalsContact O-N 3.09Å
57	I	98.7	Very high	95.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.7	165.7	-167.6	169	0	0	0	108.3	F43 I44 V74 A76 L77 L92 M93 L96	F43-I57 WeakPolarHBondContact CA-O 3.34Å; F43-I57 VanDerWaalsContact CD2-O 3.29Å; F43-I57 WeakPolarHBondContact CD2-O 3.47Å; I44-I57 HydrophobicContact CB-CG2 3.9Å; I44-I57 PolarHBondContact N-O 2.88Å; I44-I57 PolarHBondContact O-N 2.85Å; I57-V74 HydrophobicContact CD1-CG1 4.18Å; I57-V74 HydrophobicContact CG1-CG1 4.09Å; I57-A76 CarbonylContact C-O 3.58Å; I57-A76 WeakPolarHBondContact CA-O 3.45Å; I57-L77 HydrophobicContact CB-CD1 3.9Å; I57-L77 HydrophobicContact CD1-CD1 4.12Å; I57-L77 HydrophobicContact CG1-CB 4.42Å; I57-L77 HydrophobicContact CG1-CD1 4.06Å; I57-L92 HydrophobicContact CB-CB 3.98Å; I57-L92 HydrophobicContact CD1-CB 4.34Å; I57-L92 WeakPolarHBondContact CD1-O 3.48Å; I57-L92 HydrophobicContact CG2-CB 3.91Å; I57-L92 HydrophobicContact CG2-CD2 3.97Å; I57-L92 HydrophobicContact CG2-CG 4.43Å; I57-M93 HydrophobicContact CD1-CG 4.43Å; I57-M93 HydrophobicContact CD1-SD 3.72Å; I57-L96 HydrophobicContact CD1-CB 3.76Å; I57-L96 HydrophobicContact CD1-CD1 3.67Å; I57-L96 HydrophobicContact CD1-CG 4.28Å; I57-L96 HydrophobicContact CG1-CD1 3.94Å
58	M	98.6	Very high	95.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	127.9	175.9	-176.3	176.1	70.4	0	0	107.7	Y27 F31 Y32 Y35 F43 Y56 T75 A76	Y27-M58 HydrophobicContact CD2-CE 4.13Å; Y27-M58 HydrophobicContact CE2-CE 4.1Å; F31-M58 HydrophobicContact CD1-CE 4Å; F31-M58 HydrophobicContact CE1-CE 3.58Å; Y32-M58 HydrophobicContact CD1-CE 4.36Å; Y32-M58 HydrophobicContact CD1-SD 3.76Å; Y32-M58 HydrophobicContact CE1-CE 4.25Å; Y32-M58 HydrophobicContact CE1-SD 4.13Å; Y35-M58 HydrophobicContact CD1-CG 3.47Å; Y35-M58 VanDerWaalsContact CD1-CG 3.47Å; Y35-M58 HydrophobicContact CD1-SD 3.99Å; Y35-M58 HydrophobicContact CD2-SD 4.32Å; Y35-M58 HydrophobicContact CE1-CG 4.07Å; Y35-M58 HydrophobicContact CG-CG 3.9Å; Y35-M58 HydrophobicContact CG-SD 3.81Å; F43-M58 HydrophobicContact CD1-CG 4.08Å; F43-M58 HydrophobicContact CD1-SD 4.22Å; F43-M58 HydrophobicContact CD2-CB 3.94Å; F43-M58 HydrophobicContact CD2-CG 4.21Å; F43-M58 HydrophobicContact CE1-CG 4.13Å; F43-M58 HydrophobicContact CE1-SD 3.73Å; F43-M58 HydrophobicContact CE2-CB 3.9Å; F43-M58 HydrophobicContact CE2-CG 4.24Å; F43-M58 HydrophobicContact CE2-SD 4.41Å; F43-M58 HydrophobicContact CG-CB 4.34Å; F43-M58 HydrophobicContact CG-CG 4.14Å; F43-M58 HydrophobicContact CZ-CB 4.28Å; F43-M58 HydrophobicContact CZ-CG 4.21Å; F43-M58 HydrophobicContact CZ-SD 3.84Å; Y56-M58 HydrophobicContact CD2-CB 4.38Å; Y56-M58 HydrophobicContact CE2-CB 4.43Å; M58-T75 HydrophobicContact CE-CG2 3.66Å; M58-T75 WeakPolarHBondContact O-CA 3.42Å; M58-T75 WeakPolarHBondContact O-CB 3.41Å; M58-T75 PolarHBondContact O-N 3.01Å; M58-A76 HydrophobicContact CB-CB 4.27Å; M58-A76 HydrophobicContact CE-CB 4.16Å; M58-A76 PolarHBondContact N-O 3.3Å; M58-A76 PolarHBondContact O-N 3.39Å
59	G	98.3	Very high	95.4	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	178.3	177.7	0	0	0	0	0	112.9	Y35 Y42 H73	Y35-G59 VanDerWaalsContact CD1-O 3.26Å; Y35-G59 WeakPolarHBondContact CD1-O 3.07Å; Y35-G59 WeakPolarHBondContact CE1-O 3.38Å; Y42-G59 VanDerWaalsContact CB-C 3.49Å; Y42-G59 WeakPolarHBondContact CB-O 3.33Å; Y42-G59 PolarHBondContact O-N 2.81Å; Y42-G59 VanDerWaalsContact O-N 3.1Å; G59-H73 CarbonylContact C-O 3.52Å; G59-H73 WeakPolarHBondContact CA-O 3.35Å
60	K	98	Very high	95.6	Very high	39 Å²	39	49.5 Å²	49.5	17%	0.17	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	165.6	177.4	55.7	176	168.9	158.9	0	109.9	Y35 W39 E62 G72 H73	Y35-K60 HydrophobicContact CE1-CB 3.85Å; Y35-K60 HydrophobicContact CE1-CD 4.31Å; Y35-K60 HydrophobicContact CE1-CG 4.07Å; Y35-K60 WeakPolarHBondContact OH-CD 3.4Å; Y35-K60 WeakPolarHBondContact OH-CE 3.48Å; W39-K60 HydrophobicContact CD2-CB 3.4Å; W39-K60 HydrophobicContact CE3-CB 3.52Å; W39-K60 HydrophobicContact CG-CB 3.9Å; W39-K60 HydrophobicContact CH2-CB 4.08Å; W39-K60 HydrophobicContact CH2-CD 4.14Å; W39-K60 HydrophobicContact CZ2-CB 3.95Å; W39-K60 HydrophobicContact CZ2-CD 4.5Å; W39-K60 HydrophobicContact CZ3-CB 3.87Å; W39-K60 HydrophobicContact CZ3-CD 4.27Å; K60-E62 VanDerWaalsContact CE-CD 3.41Å; K60-E62 WeakPolarHBondContact CE-OE1 3.24Å; K60-E62 VanDerWaalsContact CE-OE2 3.31Å; K60-E62 WeakPolarHBondContact CE-OE2 3.34Å; K60-E62 IonicContact NZ-OE1 2.88Å; K60-E62 PolarHBondContact NZ-OE1 3.42Å; K60-E62 IonicContact NZ-OE2 2.69Å; K60-E62 PolarHBondContact NZ-OE2 3.04Å; K60-G72 CarbonylContact O-C 3.55Å; K60-G72 WeakPolarHBondContact O-CA 3.42Å; K60-H73 VanDerWaalsContact CE-CD2 3.46Å; K60-H73 WeakPolarHBondContact CE-CD2 3.49Å; K60-H73 HydrophobicContact CG-CB 3.93Å; K60-H73 PolarHBondContact N-O 3.04Å; K60-H73 PolarHBondContact O-N 3.13Å
61	A	97.5	Very high	95.8	Very high	6 Å²	6	46.6 Å²	46.6	5%	0.05	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	129.7	165.2	0	0	0	0	0	109	W39 Y42 W70 H71 K103	W39-A61 PolarHBondContact NE1-O 3.35Å; Y42-A61 HydrophobicContact CE2-CB 3.75Å; A61-W70 HydrophobicContact CB-CH2 4.05Å; A61-W70 HydrophobicContact CB-CZ2 3.94Å; A61-H71 VanDerWaalsContact CA-O 3.32Å; A61-H71 WeakPolarHBondContact CA-O 3.39Å; A61-K103 HydrophobicContact CB-CD 4.21Å
62	E	95.7	Very high	96	Very high	61 Å²	61	45.1 Å²	45.1	29%	0.285	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	179.8	-175.9	70.6	-173.4	157.9	0	0	113.1	K60 W70 H71 H73	K60-E62 VanDerWaalsContact CE-CD 3.41Å; K60-E62 WeakPolarHBondContact CE-OE1 3.24Å; K60-E62 VanDerWaalsContact CE-OE2 3.31Å; K60-E62 WeakPolarHBondContact CE-OE2 3.34Å; K60-E62 IonicContact NZ-OE1 2.88Å; K60-E62 PolarHBondContact NZ-OE1 3.42Å; K60-E62 IonicContact NZ-OE2 2.69Å; K60-E62 PolarHBondContact NZ-OE2 3.04Å; E62-W70 WeakPolarHBondContact O-CA 3.41Å; E62-H71 PolarHBondContact N-O 3.01Å; E62-H71 PolarHBondContact O-N 3.46Å; E62-H71 PolarHBondContact O-ND1 3Å; E62-H71 IonicContact OE1-NE2 3.49Å; E62-H73 IonicContact OE1-CG 3.83Å
63	G	94.2	Very high	96.2	Very high	48 Å²	48	41.2 Å²	41.2	50%	0.495	22%	0.223	S	C	.	.	S	Bend	trans	91.6	-163.8	-177.9	0	0	0	0	0	114	E69	G63-E69 WeakPolarHBondContact CA-O 3.4Å
64	S	92.3	Very high	96.2	Very high	44 Å²	44	41.4 Å²	41.4	31%	0.308	23%	0.225	S	C	.	.			trans	-129	127.5	-174	-177.7	0	0	0	0	112.3	A66 R67 E68 E69 W70	S64-A66 VanDerWaalsContact C-N 3.26Å; S64-A66 PolarHBondContact O-N 2.86Å; S64-A66 PolarHBondContact OG-N 2.84Å; S64-R67 PolarHBondContact O-N 3.09Å; S64-E68 PolarHBondContact O-N 2.87Å; S64-E69 PolarHBondContact O-N 2.8Å; S64-W70 PolarHBondContact O-N 2.93Å
65	V	91.8	Very high	96.2	Very high	94 Å²	94	42.1 Å²	42.1	57%	0.57	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-61.1	-37.9	174.7	179.8	0	0	0	0	111	R67 E68 W70	V65-R67 PolarHBondContact O-N 2.8Å; V65-E68 PolarHBondContact O-N 3.11Å; V65-E68 VanDerWaalsContact O-N 3.16Å; V65-W70 HydrophobicContact CG2-CB 3.79Å; V65-W70 HydrophobicContact CG2-CD2 4.37Å; V65-W70 HydrophobicContact CG2-CG 3.88Å
66	A	91.9	Very high	96.1	Very high	99 Å²	99	42.8 Å²	42.8	82%	0.818	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-66.7	-21	-178	0	0	0	0	0	113.5	S64	S64-A66 VanDerWaalsContact C-N 3.26Å; S64-A66 PolarHBondContact O-N 2.86Å; S64-A66 PolarHBondContact OG-N 2.84Å
67	R	91.3	Very high	96.1	Very high	186 Å²	186	44.1 Å²	44.1	70%	0.702	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-103.1	5.4	178.3	-63.9	-175.7	179	176.4	-0.3	113.3	S64 V65 E69	S64-R67 PolarHBondContact O-N 3.09Å; V65-R67 PolarHBondContact O-N 2.8Å; R67-E69 HydrophobicContact CB-CB 4.21Å; R67-E69 HydrophobicContact CB-CG 3.95Å; R67-E69 WeakPolarHBondContact CB-OE2 2.99Å; R67-E69 VanDerWaalsContact CD-OE2 3.27Å; R67-E69 WeakPolarHBondContact CD-OE2 3.09Å; R67-E69 PolarHBondContact O-N 3.37Å
68	E	92.2	Very high	96.1	Very high	92 Å²	92	44.7 Å²	44.7	43%	0.43	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	27.7	-170.8	-54.9	-178	163.1	0	0	112.6	S64 V65 F106 K163	S64-E68 PolarHBondContact O-N 2.87Å; V65-E68 PolarHBondContact O-N 3.11Å; V65-E68 VanDerWaalsContact O-N 3.16Å; E68-F106 HydrophobicContact CB-CD1 4.23Å; E68-F106 HydrophobicContact CB-CE1 4.04Å; E68-F106 HydrophobicContact CB-CE2 4.36Å; E68-F106 HydrophobicContact CB-CG 4.46Å; E68-F106 HydrophobicContact CB-CZ 4.11Å; E68-F106 HydrophobicContact CG-CE1 4.04Å; E68-F106 HydrophobicContact CG-CZ 4.07Å; E68-K163 IonicContact OE1-NZ 3.6Å; E68-K163 IonicContact OE2-NZ 2.85Å; E68-K163 PolarHBondContact OE2-NZ 3.31Å
69	E	93.8	Very high	96.1	Very high	91 Å²	91	45.3 Å²	45.3	43%	0.425	25%	0.25	S	C	.	.			trans	-109.9	3.1	-176.2	-73.8	170.6	170.4	0	0	112.4	G63 S64 R67 H71	G63-E69 WeakPolarHBondContact CA-O 3.4Å; S64-E69 PolarHBondContact O-N 2.8Å; R67-E69 HydrophobicContact CB-CB 4.21Å; R67-E69 HydrophobicContact CB-CG 3.95Å; R67-E69 WeakPolarHBondContact CB-OE2 2.99Å; R67-E69 VanDerWaalsContact CD-OE2 3.27Å; R67-E69 WeakPolarHBondContact CD-OE2 3.09Å; R67-E69 PolarHBondContact O-N 3.37Å; E69-H71 PolarHBondContact O-N 2.83Å; E69-H71 PolarHBondContact O-ND1 3.01Å
70	W	97.6	Very high	96	Very high	66 Å²	66	45.3 Å²	45.3	25%	0.25	25%	0.25	C	C	.	.			trans	-69.2	116	176.1	-179.6	-111.3	0	0	0	110.4	A61 E62 S64 V65 K103 G105 F106	A61-W70 HydrophobicContact CB-CH2 4.05Å; A61-W70 HydrophobicContact CB-CZ2 3.94Å; E62-W70 WeakPolarHBondContact O-CA 3.41Å; S64-W70 PolarHBondContact O-N 2.93Å; V65-W70 HydrophobicContact CG2-CB 3.79Å; V65-W70 HydrophobicContact CG2-CD2 4.37Å; V65-W70 HydrophobicContact CG2-CG 3.88Å; W70-K103 PolarHBondContact NE1-O 2.96Å; W70-G105 CarbonylContact O-C 3.5Å; W70-G105 WeakPolarHBondContact O-CA 2.99Å; W70-F106 HydrophobicContact CB-CD2 4.05Å; W70-F106 HydrophobicContact CB-CE2 4.24Å; W70-F106 WeakPolarHBondContact O-CD2 3.45Å; W70-F106 PolarHBondContact O-N 3.07Å
71	H	98.3	Very high	95.9	Very high	18 Å²	18	46.7 Å²	46.7	8%	0.083	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	164.4	-171	66.1	-78.5	0	0	0	112.7	A61 E62 E69 F107 D109	A61-H71 VanDerWaalsContact CA-O 3.32Å; A61-H71 WeakPolarHBondContact CA-O 3.39Å; E62-H71 PolarHBondContact N-O 3.01Å; E62-H71 PolarHBondContact O-N 3.46Å; E62-H71 PolarHBondContact O-ND1 3Å; E62-H71 IonicContact OE1-NE2 3.49Å; E69-H71 PolarHBondContact O-N 2.83Å; E69-H71 PolarHBondContact O-ND1 3.01Å; H71-F107 WeakPolarHBondContact CA-O 3.49Å; H71-F107 HydrophobicContact CB-CD1 3.98Å; H71-F107 HydrophobicContact CB-CD2 3.63Å; H71-F107 HydrophobicContact CB-CE1 3.87Å; H71-F107 HydrophobicContact CB-CE2 3.49Å; H71-F107 VanDerWaalsContact CB-CE2 3.49Å; H71-F107 HydrophobicContact CB-CG 3.87Å; H71-F107 HydrophobicContact CB-CZ 3.61Å; H71-F107 WeakPolarHBondContact CB-O 3.39Å; H71-F107 AromaticContact CD2-CE2 3.61Å; H71-F107 AromaticContact CG-CE2 3.39Å; H71-F107 AromaticContact CG-CZ 3.52Å; H71-F107 AromaticContact ND1-CE2 3.89Å; H71-F107 AromaticContact ND1-CZ 3.61Å; H71-D109 IonicContact CD2-OD1 2.67Å; H71-D109 PolarHBondContact CD2-OD1 3.14Å; H71-D109 VanDerWaalsContact CD2-OD1 3.26Å; H71-D109 IonicContact CD2-OD2 3.3Å; H71-D109 IonicContact NE2-OD1 3.48Å; H71-D109 PolarHBondContact NE2-OD1 3.42Å; H71-D109 IonicContact NE2-OD2 3.3Å
72	G	98.4	Very high	95.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	135.6	165.9	0	0	0	0	0	110.3	K60 F107 V108 D109	K60-G72 CarbonylContact O-C 3.55Å; K60-G72 WeakPolarHBondContact O-CA 3.42Å; G72-F107 PolarHBondContact N-O 3.42Å; G72-F107 VanDerWaalsContact N-O 3.1Å; G72-V108 CarbonylContact O-C 3.55Å; G72-V108 WeakPolarHBondContact O-CA 3.48Å; G72-D109 PolarHBondContact O-N 3.38Å
73	H	98.5	Very high	95.9	Very high	12 Å²	12	50.1 Å²	50.1	6%	0.056	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.7	178.6	179.1	72.2	0	0	0	110.4	G59 K60 E62 T75 D109 F111	G59-H73 CarbonylContact C-O 3.52Å; G59-H73 WeakPolarHBondContact CA-O 3.35Å; K60-H73 VanDerWaalsContact CE-CD2 3.46Å; K60-H73 WeakPolarHBondContact CE-CD2 3.49Å; K60-H73 HydrophobicContact CG-CB 3.93Å; K60-H73 PolarHBondContact N-O 3.04Å; K60-H73 PolarHBondContact O-N 3.13Å; E62-H73 IonicContact OE1-CG 3.83Å; H73-T75 PolarHBondContact CD2-OG1 3.44Å; H73-T75 PolarHBondContact O-N 3.12Å; H73-D109 WeakPolarHBondContact CA-OD1 3.44Å; H73-D109 WeakPolarHBondContact CB-OD1 3.36Å; H73-D109 IonicContact CE1-OD1 3.86Å; H73-D109 IonicContact CG-OD1 3.82Å; H73-D109 IonicContact ND1-OD1 2.8Å; H73-D109 PolarHBondContact ND1-OD1 3.48Å; H73-D109 IonicContact ND1-OD2 3.37Å; H73-F111 AromaticContact CE1-CD2 3.61Å; H73-F111 AromaticContact CE1-CE2 3.62Å
74	V	98.6	Very high	95.9	Very high	7 Å²	7	52.7 Å²	52.7	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	106.4	173.2	-171.5	0	0	0	0	109.1	I57 L77 M93 L96 V108 D109 L110	I57-V74 HydrophobicContact CD1-CG1 4.18Å; I57-V74 HydrophobicContact CG1-CG1 4.09Å; V74-L77 HydrophobicContact CG1-CB 4.18Å; V74-M93 HydrophobicContact CG1-SD 4.25Å; V74-M93 HydrophobicContact CG2-CE 3.89Å; V74-M93 HydrophobicContact CG2-SD 3.89Å; V74-L96 HydrophobicContact CG2-CD1 3.97Å; V74-L96 HydrophobicContact CG2-CD2 3.73Å; V74-L96 HydrophobicContact CG2-CG 4.48Å; V74-V108 HydrophobicContact CG2-CG1 3.88Å; V74-D109 PolarHBondContact N-O 3.4Å; V74-L110 HydrophobicContact CB-CB 3.91Å; V74-L110 HydrophobicContact CG2-CB 4.4Å
75	T	97.6	Very high	96	Very high	21 Å²	21	62 Å²	62	13%	0.129	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	-36.6	179.8	-54.9	0	0	0	0	112.4	Y27 F31 Y35 M58 H73	Y27-T75 PolarHBondContact OH-O 3.03Å; F31-T75 HydrophobicContact CE1-CG2 3.73Å; F31-T75 HydrophobicContact CZ-CG2 3.78Å; Y35-T75 HydrophobicContact CE1-CG2 4.17Å; Y35-T75 VanDerWaalsContact CE1-OG1 3.25Å; Y35-T75 WeakPolarHBondContact CE1-OG1 3.32Å; Y35-T75 HydrophobicContact CE2-CG2 4.49Å; Y35-T75 VanDerWaalsContact OH-CG2 3.32Å; Y35-T75 WeakPolarHBondContact OH-CG2 3.35Å; Y35-T75 PolarHBondContact OH-OG1 2.96Å; M58-T75 HydrophobicContact CE-CG2 3.66Å; M58-T75 WeakPolarHBondContact O-CA 3.42Å; M58-T75 WeakPolarHBondContact O-CB 3.41Å; M58-T75 PolarHBondContact O-N 3.01Å; H73-T75 PolarHBondContact CD2-OG1 3.44Å; H73-T75 PolarHBondContact O-N 3.12Å
76	A	97.5	Very high	96.2	Very high	14 Å²	14	63 Å²	63	12%	0.116	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	139.8	174.7	0	0	0	0	0	110.8	Y27 Y56 I57 M58	Y27-A76 HydrophobicContact CE2-CB 4.33Å; Y56-A76 HydrophobicContact CE2-CB 3.92Å; I57-A76 CarbonylContact C-O 3.58Å; I57-A76 WeakPolarHBondContact CA-O 3.45Å; M58-A76 HydrophobicContact CB-CB 4.27Å; M58-A76 HydrophobicContact CE-CB 4.16Å; M58-A76 PolarHBondContact N-O 3.3Å; M58-A76 PolarHBondContact O-N 3.39Å
77	L	98.3	Very high	96.4	Very high	29 Å²	29	60.6 Å²	60.6	15%	0.152	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	114.8	169.7	173.7	67	0	0	0	108.4	I57 V74 A89 L92 M93 M122 Y123	I57-L77 HydrophobicContact CB-CD1 3.9Å; I57-L77 HydrophobicContact CD1-CD1 4.12Å; I57-L77 HydrophobicContact CG1-CB 4.42Å; I57-L77 HydrophobicContact CG1-CD1 4.06Å; V74-L77 HydrophobicContact CG1-CB 4.18Å; L77-A89 HydrophobicContact CD2-CB 4.15Å; L77-L92 HydrophobicContact CD1-CB 3.92Å; L77-L92 HydrophobicContact CD1-CD1 3.9Å; L77-M93 HydrophobicContact CD2-CG 3.65Å; L77-M93 HydrophobicContact CD2-SD 3.78Å; L77-M122 HydrophobicContact CD2-CE 3.99Å; L77-Y123 HydrophobicContact CD2-CE1 4.23Å
78	S	97.7	Very high	96.7	Very high	12 Å²	12	52.6 Å²	52.6	8%	0.084	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.8	179.9	-66.5	0	0	0	0	111.2	T24 G55 Y56	T24-S78 WeakPolarHBondContact CB-OG 3.02Å; T24-S78 WeakPolarHBondContact CG2-OG 3.28Å; T24-S78 WeakPolarHBondContact OG1-CB 3.38Å; T24-S78 PolarHBondContact OG1-OG 2.88Å; G55-S78 CarbonylContact C-O 3.6Å; G55-S78 WeakPolarHBondContact CA-O 3.42Å; Y56-S78 PolarHBondContact N-O 3.19Å; Y56-S78 PolarHBondContact O-N 3.47Å; Y56-S78 VanDerWaalsContact O-N 3.09Å
79	V	98	Very high	96.9	Very high	13 Å²	13	49.2 Å²	49.2	8%	0.079	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	129.1	174.9	178.5	0	0	0	0	107.4	M54 F83 R84 L88 A89	M54-V79 CarbonylContact O-C 3.5Å; M54-V79 WeakPolarHBondContact O-CA 3.42Å; M54-V79 WeakPolarHBondContact O-CG1 3.43Å; V79-F83 HydrophobicContact CG1-CB 4.09Å; V79-R84 HydrophobicContact CB-CG 4.38Å; V79-R84 HydrophobicContact CG1-CG 4.13Å; V79-R84 PolarHBondContact O-NE 3.23Å; V79-R84 PolarHBondContact O-NH2 2.92Å; V79-L88 HydrophobicContact CG1-CB 4.4Å; V79-L88 HydrophobicContact CG1-CD1 4.07Å; V79-L88 HydrophobicContact CG2-CB 4.17Å; V79-A89 HydrophobicContact CG2-CB 4.07Å
80	A	97.3	Very high	97.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.			trans	-56.9	139.4	179.7	0	0	0	0	0	109.7	I18 M54 E82 F83 R84	I18-A80 HydrophobicContact CG1-CB 3.89Å; M54-A80 PolarHBondContact O-N 3.13Å; A80-E82 VanDerWaalsContact C-N 3.25Å; A80-E82 WeakPolarHBondContact CB-OE1 3.32Å; A80-E82 PolarHBondContact O-N 2.92Å; A80-E82 VanDerWaalsContact O-N 3.13Å; A80-F83 HydrophobicContact CB-CD2 3.89Å; A80-F83 PolarHBondContact O-N 3.49Å; A80-R84 PolarHBondContact O-N 3.03Å
81	P	95.9	Very high	97.2	Very high	68 Å²	68	47.4 Å²	47.4	44%	0.442	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-50	-41.8	-172.3	-30	36.4	0	0	0	114.9	F83 R84	P81-F83 PolarHBondContact O-N 2.88Å; P81-R84 WeakPolarHBondContact O-CB 3.47Å; P81-R84 PolarHBondContact O-N 3.26Å
82	E	95.4	Very high	97.2	Very high	104 Å²	104	46.6 Å²	46.6	49%	0.486	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-67.6	-16.3	179.5	62.5	-83.3	-170.3	0	0	114.3	N17 A80	N17-E82 PolarHBondContact ND2-OE1 3Å; A80-E82 VanDerWaalsContact C-N 3.25Å; A80-E82 WeakPolarHBondContact CB-OE1 3.32Å; A80-E82 PolarHBondContact O-N 2.92Å; A80-E82 VanDerWaalsContact O-N 3.13Å
83	F	96.7	Very high	97.2	Very high	34 Å²	34	46.6 Å²	46.6	15%	0.149	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-110.9	8.7	178.7	-60.2	-62.7	0	0	0	113.6	A48 E52 M54 V79 A80 P81 L88	A48-F83 HydrophobicContact CB-CZ 4.39Å; E52-F83 HydrophobicContact CG-CE2 4.13Å; E52-F83 HydrophobicContact CG-CZ 4.39Å; E52-F83 WeakPolarHBondContact OE2-CZ 3.37Å; M54-F83 HydrophobicContact CB-CB 4.04Å; M54-F83 HydrophobicContact CB-CD1 4.49Å; M54-F83 HydrophobicContact CB-CD2 3.77Å; M54-F83 HydrophobicContact CB-CE2 4.37Å; M54-F83 HydrophobicContact CB-CG 3.84Å; M54-F83 HydrophobicContact CE-CB 4.03Å; M54-F83 HydrophobicContact CE-CD1 3.31Å; M54-F83 HydrophobicContact CE-CE1 3.89Å; M54-F83 HydrophobicContact CE-CG 3.75Å; M54-F83 HydrophobicContact CG-CD1 4.07Å; M54-F83 HydrophobicContact CG-CD2 3.86Å; M54-F83 HydrophobicContact CG-CE1 4.22Å; M54-F83 HydrophobicContact CG-CE2 4.04Å; M54-F83 HydrophobicContact CG-CG 3.88Å; M54-F83 HydrophobicContact CG-CZ 4.22Å; V79-F83 HydrophobicContact CG1-CB 4.09Å; A80-F83 HydrophobicContact CB-CD2 3.89Å; A80-F83 PolarHBondContact O-N 3.49Å; P81-F83 PolarHBondContact O-N 2.88Å; F83-L88 HydrophobicContact CB-CD1 3.99Å
84	R	95.4	Very high	97.2	Very high	103 Å²	103	50 Å²	50	39%	0.389	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	164.5	177.3	-69.3	179.9	-178.2	170.6	0.1	112.1	D21 V79 A80 P81 L86	D21-R84 VanDerWaalsContact CG-NH2 3.29Å; D21-R84 IonicContact OD2-CZ 3.75Å; D21-R84 VanDerWaalsContact OD2-CZ 3.23Å; D21-R84 IonicContact OD2-NH1 2.94Å; D21-R84 PolarHBondContact OD2-NH1 3.05Å; D21-R84 IonicContact OD2-NH2 3.69Å; D21-R84 PolarHBondContact OD2-NH2 3.28Å; V79-R84 HydrophobicContact CB-CG 4.38Å; V79-R84 HydrophobicContact CG1-CG 4.13Å; V79-R84 PolarHBondContact O-NE 3.23Å; V79-R84 PolarHBondContact O-NH2 2.92Å; A80-R84 PolarHBondContact O-N 3.03Å; P81-R84 WeakPolarHBondContact O-CB 3.47Å; P81-R84 PolarHBondContact O-N 3.26Å; R84-L86 PolarHBondContact O-N 3.48Å; R84-L86 VanDerWaalsContact O-N 3.14Å
85	R	94.5	Very high	97.2	Very high	239 Å²	239	52 Å²	52	90%	0.902	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	13.9	177.9	-47.7	-63.7	-68.5	-150.3	-4.3	114.7
86	L	95.4	Very high	97.2	Very high	116 Å²	116	51.1 Å²	51.1	61%	0.607	26%	0.26	S	S	*	.	S	Bend	trans	-96.1	3.9	173.5	-60.3	179.1	0	0	0	113.7	M54 R84 L88	M54-L86 HydrophobicContact CE-CD1 4.34Å; R84-L86 PolarHBondContact O-N 3.48Å; R84-L86 VanDerWaalsContact O-N 3.14Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 HydrophobicContact CB-CG 4.28Å; L86-L88 PolarHBondContact O-N 3.35Å
87	G	95.9	Very high	97.3	Very high	47 Å²	47	51.6 Å²	51.6	49%	0.485	26%	0.26	S	S	.	.	S	Bend	trans	79.5	7	-176.8	0	0	0	0	0	115.2	A89 A90 K91	G87-A89 PolarHBondContact O-N 3.39Å; G87-A90 PolarHBondContact O-N 3Å; G87-K91 PolarHBondContact O-N 3.01Å
88	L	97.3	Very high	97.3	Very high	19 Å²	19	54.4 Å²	54.4	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-45.9	-178.2	-67.4	175.5	0	0	0	113.4	T2 A46 M54 V79 F83 L86 A90 K91 L92	T2-L88 HydrophobicContact CG2-CD2 3.91Å; A46-L88 HydrophobicContact CB-CD2 4.4Å; M54-L88 HydrophobicContact CB-CD1 3.91Å; M54-L88 HydrophobicContact CE-CD1 3.69Å; M54-L88 HydrophobicContact SD-CD1 4.32Å; V79-L88 HydrophobicContact CG1-CB 4.4Å; V79-L88 HydrophobicContact CG1-CD1 4.07Å; V79-L88 HydrophobicContact CG2-CB 4.17Å; F83-L88 HydrophobicContact CB-CD1 3.99Å; L86-L88 VanDerWaalsContact C-N 3.32Å; L86-L88 HydrophobicContact CB-CG 4.28Å; L86-L88 PolarHBondContact O-N 3.35Å; L88-A90 VanDerWaalsContact C-N 3.3Å; L88-A90 PolarHBondContact O-N 3.3Å; L88-K91 PolarHBondContact O-N 2.75Å; L88-K91 VanDerWaalsContact O-N 3.13Å; L88-L92 WeakPolarHBondContact O-CG 3.29Å; L88-L92 PolarHBondContact O-N 3.19Å
89	A	97.7	Very high	97.3	Very high	20 Å²	20	54.3 Å²	54.3	17%	0.165	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-42.6	178.7	0	0	0	0	0	111.7	L77 V79 G87 K91 L92 M93 M122	L77-A89 HydrophobicContact CD2-CB 4.15Å; V79-A89 HydrophobicContact CG2-CB 4.07Å; G87-A89 PolarHBondContact O-N 3.39Å; A89-K91 VanDerWaalsContact C-N 3.34Å; A89-K91 PolarHBondContact O-N 3Å; A89-L92 PolarHBondContact O-N 3.1Å; A89-M93 WeakPolarHBondContact O-CB 3.25Å; A89-M93 VanDerWaalsContact O-CG 3.29Å; A89-M93 WeakPolarHBondContact O-CG 3.27Å; A89-M93 PolarHBondContact O-N 3.41Å; A89-M122 HydrophobicContact CB-SD 3.65Å
90	A	97.9	Very high	97.4	Very high	37 Å²	37	53.7 Å²	53.7	31%	0.306	27%	0.267	S	S	.	.	H	α-helix	trans	-62.5	-41.5	175.4	0	0	0	0	0	111.7	G87 L88 M93 E94 L126	G87-A90 PolarHBondContact O-N 3Å; L88-A90 VanDerWaalsContact C-N 3.3Å; L88-A90 PolarHBondContact O-N 3.3Å; A90-M93 PolarHBondContact O-N 3.04Å; A90-E94 WeakPolarHBondContact O-CB 3.46Å; A90-E94 PolarHBondContact O-N 3.35Å; A90-L126 HydrophobicContact CB-CD2 3.9Å
91	K	98.3	Very high	97.4	Very high	83 Å²	83	56.8 Å²	56.8	36%	0.361	28%	0.282	S	S	.	.	H	α-helix	trans	-67.9	-39.5	178.5	-171.3	64.7	-168.4	165.3	0	112.8	L4 G87 L88 A89 E94 M95	L4-K91 HydrophobicContact CD1-CG 3.68Å; G87-K91 PolarHBondContact O-N 3.01Å; L88-K91 PolarHBondContact O-N 2.75Å; L88-K91 VanDerWaalsContact O-N 3.13Å; A89-K91 VanDerWaalsContact C-N 3.34Å; A89-K91 PolarHBondContact O-N 3Å; K91-E94 VanDerWaalsContact CD-OE2 3.25Å; K91-E94 WeakPolarHBondContact CD-OE2 3.48Å; K91-E94 WeakPolarHBondContact CE-OE2 3.49Å; K91-E94 IonicContact NZ-OE2 2.6Å; K91-E94 PolarHBondContact NZ-OE2 3.12Å; K91-E94 PolarHBondContact O-N 3.43Å; K91-M95 WeakPolarHBondContact O-CG 3.25Å; K91-M95 PolarHBondContact O-N 2.87Å; K91-M95 VanDerWaalsContact O-N 3.14Å
92	L	98.6	Very high	97.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-65.7	-41.6	175.7	-71.5	170.4	0	0	0	111.4	L4 I44 I57 L77 L88 A89 M95 L96	L4-L92 HydrophobicContact CD2-CD2 4.1Å; I44-L92 HydrophobicContact CB-CD2 4.34Å; I44-L92 HydrophobicContact CG2-CD2 3.91Å; I57-L92 HydrophobicContact CB-CB 3.98Å; I57-L92 HydrophobicContact CD1-CB 4.34Å; I57-L92 WeakPolarHBondContact CD1-O 3.48Å; I57-L92 HydrophobicContact CG2-CB 3.91Å; I57-L92 HydrophobicContact CG2-CD2 3.97Å; I57-L92 HydrophobicContact CG2-CG 4.43Å; L77-L92 HydrophobicContact CD1-CB 3.92Å; L77-L92 HydrophobicContact CD1-CD1 3.9Å; L88-L92 WeakPolarHBondContact O-CG 3.29Å; L88-L92 PolarHBondContact O-N 3.19Å; A89-L92 PolarHBondContact O-N 3.1Å; L92-M95 PolarHBondContact O-N 2.9Å; L92-L96 PolarHBondContact O-N 3.39Å
93	M	98.6	Very high	97.6	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.4	-46.5	173.3	-74.8	-63.1	-60.4	0	0	112.1	I57 V74 L77 A89 A90 M95 L96 E97 L110 Y123 L126 Y128	I57-M93 HydrophobicContact CD1-CG 4.43Å; I57-M93 HydrophobicContact CD1-SD 3.72Å; V74-M93 HydrophobicContact CG1-SD 4.25Å; V74-M93 HydrophobicContact CG2-CE 3.89Å; V74-M93 HydrophobicContact CG2-SD 3.89Å; L77-M93 HydrophobicContact CD2-CG 3.65Å; L77-M93 HydrophobicContact CD2-SD 3.78Å; A89-M93 WeakPolarHBondContact O-CB 3.25Å; A89-M93 VanDerWaalsContact O-CG 3.29Å; A89-M93 WeakPolarHBondContact O-CG 3.27Å; A89-M93 PolarHBondContact O-N 3.41Å; A90-M93 PolarHBondContact O-N 3.04Å; M93-M95 VanDerWaalsContact C-N 3.29Å; M93-M95 PolarHBondContact O-N 3.41Å; M93-L96 PolarHBondContact O-N 2.79Å; M93-L96 VanDerWaalsContact O-N 3.13Å; M93-E97 VanDerWaalsContact O-CG 3.31Å; M93-E97 WeakPolarHBondContact O-CG 3.45Å; M93-E97 PolarHBondContact O-N 2.91Å; M93-L110 HydrophobicContact CE-CD2 4.32Å; M93-Y123 HydrophobicContact CE-CD1 4.32Å; M93-Y123 HydrophobicContact CE-CE1 3.94Å; M93-Y123 HydrophobicContact CG-CE1 4.35Å; M93-Y123 HydrophobicContact SD-CE1 3.91Å; M93-L126 HydrophobicContact CB-CD1 4.1Å; M93-L126 HydrophobicContact CG-CD1 4.02Å; M93-Y128 HydrophobicContact CE-CE1 4.19Å; M93-Y128 HydrophobicContact CE-CE2 3.68Å; M93-Y128 WeakPolarHBondContact CE-OH 3.25Å
94	E	98.5	Very high	97.6	Very high	83 Å²	83	61.1 Å²	61.1	39%	0.388	30%	0.296	S	S	.	.	H	α-helix	trans	-55.2	-44.8	176.6	-177.7	-177	-141.2	0	0	111.5	A90 K91 L96 E97 E98	A90-E94 WeakPolarHBondContact O-CB 3.46Å; A90-E94 PolarHBondContact O-N 3.35Å; K91-E94 VanDerWaalsContact CD-OE2 3.25Å; K91-E94 WeakPolarHBondContact CD-OE2 3.48Å; K91-E94 WeakPolarHBondContact CE-OE2 3.49Å; K91-E94 IonicContact NZ-OE2 2.6Å; K91-E94 PolarHBondContact NZ-OE2 3.12Å; K91-E94 PolarHBondContact O-N 3.43Å; E94-L96 PolarHBondContact O-N 3.48Å; E94-E97 PolarHBondContact O-N 2.84Å; E94-E98 WeakPolarHBondContact O-CG 3.46Å; E94-E98 PolarHBondContact O-N 2.86Å
95	M	98.3	Very high	97.7	Very high	51 Å²	51	56.3 Å²	56.3	25%	0.251	28%	0.278	S	S	.	.	H	α-helix	trans	-61.3	-42.9	177.3	-67.4	-69.2	-56	0	0	112.4	L4 I44 K91 L92 M93 E98 I99	L4-M95 HydrophobicContact CD1-CG 4.47Å; I44-M95 HydrophobicContact CD1-CB 3.65Å; I44-M95 HydrophobicContact CD1-CE 4.18Å; I44-M95 HydrophobicContact CD1-CG 4.37Å; K91-M95 WeakPolarHBondContact O-CG 3.25Å; K91-M95 PolarHBondContact O-N 2.87Å; K91-M95 VanDerWaalsContact O-N 3.14Å; L92-M95 PolarHBondContact O-N 2.9Å; M93-M95 VanDerWaalsContact C-N 3.29Å; M93-M95 PolarHBondContact O-N 3.41Å; M95-E98 PolarHBondContact O-N 2.94Å; M95-I99 WeakPolarHBondContact O-CD1 3.47Å; M95-I99 VanDerWaalsContact O-CG1 3.24Å; M95-I99 WeakPolarHBondContact O-CG1 3.45Å; M95-I99 PolarHBondContact O-N 3.49Å
96	L	98.6	Very high	97.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-66.9	-39.4	177.9	179.9	145.4	0	0	0	111.8	Y42 I57 V74 L92 M93 E94 I99 S100 V108	Y42-L96 HydrophobicContact CD1-CD1 3.95Å; Y42-L96 HydrophobicContact CD1-CG 3.76Å; Y42-L96 HydrophobicContact CE1-CG 4.02Å; I57-L96 HydrophobicContact CD1-CB 3.76Å; I57-L96 HydrophobicContact CD1-CD1 3.67Å; I57-L96 HydrophobicContact CD1-CG 4.28Å; I57-L96 HydrophobicContact CG1-CD1 3.94Å; V74-L96 HydrophobicContact CG2-CD1 3.97Å; V74-L96 HydrophobicContact CG2-CD2 3.73Å; V74-L96 HydrophobicContact CG2-CG 4.48Å; L92-L96 PolarHBondContact O-N 3.39Å; M93-L96 PolarHBondContact O-N 2.79Å; M93-L96 VanDerWaalsContact O-N 3.13Å; E94-L96 PolarHBondContact O-N 3.48Å; L96-I99 PolarHBondContact O-N 3.3Å; L96-S100 WeakPolarHBondContact O-CB 3.47Å; L96-S100 PolarHBondContact O-N 2.82Å; L96-S100 PolarHBondContact O-OG 2.82Å; L96-V108 HydrophobicContact CD2-CG1 3.58Å; L96-V108 HydrophobicContact CD2-CG2 4.21Å
97	E	98.7	Very high	98	Very high	25 Å²	25	40.9 Å²	40.9	12%	0.117	21%	0.212	C	C	.	.	H	α-helix	trans	-62	-45.6	173.9	-71	171.8	-169.4	0	0	111.1	M93 E94 I99 S100 E101 V108 Y128 K154	M93-E97 VanDerWaalsContact O-CG 3.31Å; M93-E97 WeakPolarHBondContact O-CG 3.45Å; M93-E97 PolarHBondContact O-N 2.91Å; E94-E97 PolarHBondContact O-N 2.84Å; E97-I99 VanDerWaalsContact C-N 3.33Å; E97-I99 PolarHBondContact O-N 2.97Å; E97-S100 WeakPolarHBondContact O-CB 3.25Å; E97-S100 PolarHBondContact O-N 2.68Å; E97-S100 VanDerWaalsContact O-N 3.14Å; E97-E101 WeakPolarHBondContact O-CB 3.34Å; E97-E101 WeakPolarHBondContact O-CG 3.4Å; E97-E101 PolarHBondContact O-N 3.44Å; E97-V108 HydrophobicContact CG-CG2 4.13Å; E97-Y128 WeakPolarHBondContact OE1-CE2 3.41Å; E97-Y128 PolarHBondContact OE1-OH 2.88Å; E97-K154 VanDerWaalsContact CD-NZ 3.33Å; E97-K154 IonicContact OE1-NZ 2.69Å; E97-K154 PolarHBondContact OE1-NZ 2.83Å; E97-K154 IonicContact OE2-NZ 3.47Å; E97-K154 PolarHBondContact OE2-NZ 3.42Å
98	E	98.5	Very high	98.2	Very high	87 Å²	87	38.7 Å²	38.7	41%	0.407	19%	0.189	S	C	.	.	H	α-helix	trans	-61.9	-36.9	176.5	-75	178.3	-174.7	0	0	113	E94 M95 R102	E94-E98 WeakPolarHBondContact O-CG 3.46Å; E94-E98 PolarHBondContact O-N 2.86Å; M95-E98 PolarHBondContact O-N 2.94Å; E98-R102 WeakPolarHBondContact O-CG 3.44Å; E98-R102 PolarHBondContact O-N 2.85Å; E98-R102 VanDerWaalsContact O-N 3.12Å; E98-R102 PolarHBondContact O-NE 2.69Å
99	I	98.4	Very high	98.2	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.051	19%	0.187	C	C	.	.	H	α-helix	trans	-67.1	-43.7	174.1	-64.4	156.9	0	0	0	110	E41 Y42 I44 M95 L96 E97 R102 K103	E41-I99 HydrophobicContact CB-CG2 4.48Å; E41-I99 HydrophobicContact CG-CG2 3.82Å; E41-I99 WeakPolarHBondContact O-CD1 3.45Å; Y42-I99 HydrophobicContact CD1-CB 4.34Å; Y42-I99 HydrophobicContact CD1-CG2 4.06Å; Y42-I99 HydrophobicContact CD2-CG2 4.18Å; Y42-I99 HydrophobicContact CE1-CB 3.84Å; Y42-I99 HydrophobicContact CE1-CG2 3.56Å; Y42-I99 HydrophobicContact CE2-CG2 3.73Å; Y42-I99 HydrophobicContact CG-CG2 4.36Å; I44-I99 HydrophobicContact CD1-CD1 4Å; M95-I99 WeakPolarHBondContact O-CD1 3.47Å; M95-I99 VanDerWaalsContact O-CG1 3.24Å; M95-I99 WeakPolarHBondContact O-CG1 3.45Å; M95-I99 PolarHBondContact O-N 3.49Å; L96-I99 PolarHBondContact O-N 3.3Å; E97-I99 VanDerWaalsContact C-N 3.33Å; E97-I99 PolarHBondContact O-N 2.97Å; I99-R102 PolarHBondContact O-N 2.9Å; I99-K103 WeakPolarHBondContact O-CG 3.21Å; I99-K103 PolarHBondContact O-N 3.18Å
100	S	98.4	Very high	98.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-63.3	-42.8	179.2	-54.9	0	0	0	0	112	Y42 L96 E97 K103 G104 G105	Y42-S100 WeakPolarHBondContact CE1-OG 3.39Å; Y42-S100 VanDerWaalsContact OH-CA 3.3Å; Y42-S100 WeakPolarHBondContact OH-CA 3.5Å; Y42-S100 PolarHBondContact OH-N 2.93Å; Y42-S100 PolarHBondContact OH-OG 3.25Å; L96-S100 WeakPolarHBondContact O-CB 3.47Å; L96-S100 PolarHBondContact O-N 2.82Å; L96-S100 PolarHBondContact O-OG 2.82Å; E97-S100 WeakPolarHBondContact O-CB 3.25Å; E97-S100 PolarHBondContact O-N 2.68Å; E97-S100 VanDerWaalsContact O-N 3.14Å; S100-K103 CarbonylContact O-C 3.57Å; S100-K103 PolarHBondContact O-N 3.39Å; S100-G104 PolarHBondContact O-N 3.44Å; S100-G105 PolarHBondContact O-N 2.95Å
101	E	98.3	Very high	98.2	Very high	65 Å²	65	37.3 Å²	37.3	30%	0.304	17%	0.173	S	C	.	.	H	α-helix	trans	-57.7	-49.5	172.9	-80.9	-73.3	-177.2	0	0	111.4	E97 K103 G104 L156 S157	E97-E101 WeakPolarHBondContact O-CB 3.34Å; E97-E101 WeakPolarHBondContact O-CG 3.4Å; E97-E101 PolarHBondContact O-N 3.44Å; E101-K103 PolarHBondContact O-N 3.04Å; E101-G104 PolarHBondContact O-N 3.14Å; E101-L156 HydrophobicContact CG-CB 4.48Å; E101-L156 HydrophobicContact CG-CD1 4.18Å; E101-L156 HydrophobicContact CG-CD2 3.97Å; E101-L156 HydrophobicContact CG-CG 4.42Å; E101-L156 WeakPolarHBondContact OE1-CA 3.44Å; E101-L156 WeakPolarHBondContact OE1-CB 3.2Å; E101-S157 PolarHBondContact OE1-N 2.97Å; E101-S157 VanDerWaalsContact OE2-CB 3.32Å; E101-S157 WeakPolarHBondContact OE2-CB 3.37Å; E101-S157 PolarHBondContact OE2-OG 2.97Å
102	R	97.9	Very high	98.2	Very high	192 Å²	192	33.7 Å²	33.7	73%	0.725	16%	0.157	S	C	*	.	H	α-helix	trans	-63.4	-26	178.7	-74.5	-175.2	-63.7	172.1	0.7	113.3	E98 I99 G104	E98-R102 WeakPolarHBondContact O-CG 3.44Å; E98-R102 PolarHBondContact O-N 2.85Å; E98-R102 VanDerWaalsContact O-N 3.12Å; E98-R102 PolarHBondContact O-NE 2.69Å; I99-R102 PolarHBondContact O-N 2.9Å; R102-G104 VanDerWaalsContact C-N 3.29Å
103	K	97.1	Very high	98.1	Very high	74 Å²	74	35.6 Å²	35.6	32%	0.322	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	3.4	174.2	-70	-163.4	-179.1	-162.8	0	113.7	E41 Y42 A61 W70 I99 S100 E101 G105	E41-K103 WeakPolarHBondContact OE1-CE 3.48Å; E41-K103 IonicContact OE1-NZ 3.17Å; E41-K103 PolarHBondContact OE1-NZ 3.21Å; Y42-K103 HydrophobicContact CE2-CD 3.95Å; A61-K103 HydrophobicContact CB-CD 4.21Å; W70-K103 PolarHBondContact NE1-O 2.96Å; I99-K103 WeakPolarHBondContact O-CG 3.21Å; I99-K103 PolarHBondContact O-N 3.18Å; S100-K103 CarbonylContact O-C 3.57Å; S100-K103 PolarHBondContact O-N 3.39Å; E101-K103 PolarHBondContact O-N 3.04Å; K103-G105 VanDerWaalsContact C-N 3.32Å
104	G	97.2	Very high	98	Very high	31 Å²	31	37.4 Å²	37.4	32%	0.32	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	30.4	-179.1	0	0	0	0	0	113.2	S100 E101 R102	S100-G104 PolarHBondContact O-N 3.44Å; E101-G104 PolarHBondContact O-N 3.14Å; R102-G104 VanDerWaalsContact C-N 3.29Å
105	G	97.8	Very high	97.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	18%	0.182	C	C	.	.			trans	-63.3	143.1	173.7	0	0	0	0	0	111.6	W70 S100 K103 L156 S158	W70-G105 CarbonylContact O-C 3.5Å; W70-G105 WeakPolarHBondContact O-CA 2.99Å; S100-G105 PolarHBondContact O-N 2.95Å; K103-G105 VanDerWaalsContact C-N 3.32Å; G105-L156 WeakPolarHBondContact O-CB 3.19Å; G105-S158 WeakPolarHBondContact O-CB 3.33Å; G105-S158 PolarHBondContact O-OG 3.23Å
106	F	98.1	Very high	97.7	Very high	28 Å²	28	36.1 Å²	36.1	12%	0.123	18%	0.178	C	C	.	.	S	Bend	trans	-77.1	-34.7	174	-71.1	-84	0	0	0	111.7	E68 W70 L156 D159	E68-F106 HydrophobicContact CB-CD1 4.23Å; E68-F106 HydrophobicContact CB-CE1 4.04Å; E68-F106 HydrophobicContact CB-CE2 4.36Å; E68-F106 HydrophobicContact CB-CG 4.46Å; E68-F106 HydrophobicContact CB-CZ 4.11Å; E68-F106 HydrophobicContact CG-CE1 4.04Å; E68-F106 HydrophobicContact CG-CZ 4.07Å; W70-F106 HydrophobicContact CB-CD2 4.05Å; W70-F106 HydrophobicContact CB-CE2 4.24Å; W70-F106 WeakPolarHBondContact O-CD2 3.45Å; W70-F106 PolarHBondContact O-N 3.07Å; F106-L156 PolarHBondContact O-N 3.28Å; F106-D159 HydrophobicContact CB-CB 4.2Å; F106-D159 HydrophobicContact CD1-CB 4.3Å; F106-D159 WeakPolarHBondContact O-CB 3.29Å
107	F	98.5	Very high	97.6	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	172.9	179.3	56.5	-84.1	0	0	0	111.4	H71 G72 D109 R153 K154 S164	H71-F107 WeakPolarHBondContact CA-O 3.49Å; H71-F107 HydrophobicContact CB-CD1 3.98Å; H71-F107 HydrophobicContact CB-CD2 3.63Å; H71-F107 HydrophobicContact CB-CE1 3.87Å; H71-F107 HydrophobicContact CB-CE2 3.49Å; H71-F107 VanDerWaalsContact CB-CE2 3.49Å; H71-F107 HydrophobicContact CB-CG 3.87Å; H71-F107 HydrophobicContact CB-CZ 3.61Å; H71-F107 WeakPolarHBondContact CB-O 3.39Å; H71-F107 AromaticContact CD2-CE2 3.61Å; H71-F107 AromaticContact CG-CE2 3.39Å; H71-F107 AromaticContact CG-CZ 3.52Å; H71-F107 AromaticContact ND1-CE2 3.89Å; H71-F107 AromaticContact ND1-CZ 3.61Å; G72-F107 PolarHBondContact N-O 3.42Å; G72-F107 VanDerWaalsContact N-O 3.1Å; F107-D109 HydrophobicContact CD2-CB 4.02Å; F107-D109 HydrophobicContact CE2-CB 3.97Å; F107-R153 HydrophobicContact CD2-CG 4.21Å; F107-R153 HydrophobicContact CE2-CG 4.48Å; F107-K154 CarbonylContact C-O 3.42Å; F107-K154 WeakPolarHBondContact CA-O 3.3Å; F107-K154 VanDerWaalsContact CB-O 3.27Å; F107-K154 WeakPolarHBondContact CB-O 3.23Å; F107-S164 WeakPolarHBondContact CB-OG 3.33Å
108	V	98.7	Very high	97.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	135.8	160.1	178.6	0	0	0	0	108.5	G72 V74 L96 E97 Y128 R153 K154 L156	G72-V108 CarbonylContact O-C 3.55Å; G72-V108 WeakPolarHBondContact O-CA 3.48Å; V74-V108 HydrophobicContact CG2-CG1 3.88Å; L96-V108 HydrophobicContact CD2-CG1 3.58Å; L96-V108 HydrophobicContact CD2-CG2 4.21Å; E97-V108 HydrophobicContact CG-CG2 4.13Å; V108-Y128 HydrophobicContact CB-CE1 4.17Å; V108-Y128 HydrophobicContact CG1-CE1 4.04Å; V108-Y128 WeakPolarHBondContact CG1-OH 3.25Å; V108-R153 WeakPolarHBondContact O-CA 3.2Å; V108-K154 PolarHBondContact N-O 2.89Å; V108-K154 PolarHBondContact O-N 3.12Å; V108-L156 HydrophobicContact CG2-CD1 3.95Å; V108-L156 HydrophobicContact CG2-CD2 4.15Å; V108-L156 HydrophobicContact CG2-CG 4.24Å
109	D	98.4	Very high	97.4	Very high	8 Å²	8	41.2 Å²	41.2	4%	0.043	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	168.6	173.9	80.6	-11.3	0	0	0	113.4	H71 G72 H73 V74 F107 M152 R153	H71-D109 IonicContact CD2-OD1 2.67Å; H71-D109 PolarHBondContact CD2-OD1 3.14Å; H71-D109 VanDerWaalsContact CD2-OD1 3.26Å; H71-D109 IonicContact CD2-OD2 3.3Å; H71-D109 IonicContact NE2-OD1 3.48Å; H71-D109 PolarHBondContact NE2-OD1 3.42Å; H71-D109 IonicContact NE2-OD2 3.3Å; G72-D109 PolarHBondContact O-N 3.38Å; H73-D109 WeakPolarHBondContact CA-OD1 3.44Å; H73-D109 WeakPolarHBondContact CB-OD1 3.36Å; H73-D109 IonicContact CE1-OD1 3.86Å; H73-D109 IonicContact CG-OD1 3.82Å; H73-D109 IonicContact ND1-OD1 2.8Å; H73-D109 PolarHBondContact ND1-OD1 3.48Å; H73-D109 IonicContact ND1-OD2 3.37Å; V74-D109 PolarHBondContact N-O 3.4Å; F107-D109 HydrophobicContact CD2-CB 4.02Å; F107-D109 HydrophobicContact CE2-CB 3.97Å; D109-M152 VanDerWaalsContact CA-O 3.25Å; D109-M152 WeakPolarHBondContact CA-O 3.1Å; D109-R153 HydrophobicContact CB-CG 3.75Å
110	L	98.5	Very high	97.4	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	155.8	177.7	63.6	95	0	0	0	110.6	V74 M93 V112 Y123 Y128 D151 M152	V74-L110 HydrophobicContact CB-CB 3.91Å; V74-L110 HydrophobicContact CG2-CB 4.4Å; M93-L110 HydrophobicContact CE-CD2 4.32Å; L110-V112 HydrophobicContact CD1-CB 3.88Å; L110-V112 HydrophobicContact CD1-CG1 3.93Å; L110-Y123 HydrophobicContact CD1-CD2 3.75Å; L110-Y123 HydrophobicContact CD1-CE1 4.46Å; L110-Y123 HydrophobicContact CD1-CE2 3.56Å; L110-Y123 HydrophobicContact CD1-CG 4.28Å; L110-Y123 HydrophobicContact CD2-CD1 3.43Å; L110-Y123 VanDerWaalsContact CD2-CD1 3.43Å; L110-Y123 HydrophobicContact CD2-CD2 4.07Å; L110-Y123 HydrophobicContact CD2-CE1 3.28Å; L110-Y123 HydrophobicContact CD2-CE2 3.94Å; L110-Y123 HydrophobicContact CD2-CG 3.84Å; L110-Y123 HydrophobicContact CG-CE1 4.49Å; L110-Y123 HydrophobicContact CG-CE2 4.42Å; L110-Y128 HydrophobicContact CD2-CD1 3.88Å; L110-Y128 HydrophobicContact CD2-CE1 3.86Å; L110-Y128 HydrophobicContact CD2-CG 4.49Å; L110-D151 WeakPolarHBondContact O-CA 3.48Å; L110-M152 HydrophobicContact CD1-CB 3.99Å; L110-M152 HydrophobicContact CD1-CG 4.46Å; L110-M152 HydrophobicContact CG-CB 4.09Å; L110-M152 PolarHBondContact N-O 3.14Å; L110-M152 VanDerWaalsContact N-O 3.12Å; L110-M152 PolarHBondContact O-N 2.82Å
111	F	97.8	Very high	97.4	Very high	38 Å²	38	44.4 Å²	44.4	17%	0.167	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135.8	166.6	-61.1	-68.5	0	0	0	110.4	H73 V134 Y137 Y138 A149 Y150 D151 I177	H73-F111 AromaticContact CE1-CD2 3.61Å; H73-F111 AromaticContact CE1-CE2 3.62Å; F111-V134 HydrophobicContact CD1-CG2 4.34Å; F111-V134 HydrophobicContact CE1-CG2 3.9Å; F111-Y137 HydrophobicContact CB-CD1 4.38Å; F111-Y137 HydrophobicContact CB-CE1 3.77Å; F111-Y137 HydrophobicContact CD1-CE2 4.26Å; F111-Y137 HydrophobicContact CD2-CE1 4.16Å; F111-Y137 AromaticContact CD2-CE2 3.98Å; F111-Y137 HydrophobicContact CD2-CE2 3.98Å; F111-Y137 AromaticContact CD2-CZ 3.49Å; F111-Y137 VanDerWaalsContact CD2-CZ 3.49Å; F111-Y137 WeakPolarHBondContact CD2-OH 3.2Å; F111-Y137 HydrophobicContact CE1-CE2 4.36Å; F111-Y137 HydrophobicContact CE2-CE2 4.09Å; F111-Y137 AromaticContact CG-CE1 3.94Å; F111-Y137 HydrophobicContact CG-CE1 3.94Å; F111-Y137 HydrophobicContact CG-CE2 4.07Å; F111-Y137 AromaticContact CG-CZ 3.64Å; F111-Y137 HydrophobicContact CZ-CE2 4.29Å; F111-Y138 VanDerWaalsContact C-OH 3.3Å; F111-Y138 PolarHBondContact O-OH 2.91Å; F111-Y138 VanDerWaalsContact O-OH 3.13Å; F111-A149 HydrophobicContact CB-CB 4.28Å; F111-A149 HydrophobicContact CD1-CB 4.4Å; F111-Y150 WeakPolarHBondContact CA-O 3.35Å; F111-D151 HydrophobicContact CD1-CB 4.1Å; F111-D151 HydrophobicContact CE1-CB 3.79Å; F111-I177 HydrophobicContact CE1-CD1 4.15Å; F111-I177 HydrophobicContact CE2-CD1 4.37Å; F111-I177 HydrophobicContact CZ-CD1 3.65Å
112	V	97.5	Very high	97.4	Very high	6 Å²	6	43.5 Å²	43.5	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	132.3	175.7	61.2	0	0	0	0	110.7	L110 V114 N116 A119 V120 Y123 A149 Y150 M152	L110-V112 HydrophobicContact CD1-CB 3.88Å; L110-V112 HydrophobicContact CD1-CG1 3.93Å; V112-V114 PolarHBondContact O-N 2.93Å; V112-N116 HydrophobicContact CG2-CB 4.25Å; V112-A119 HydrophobicContact CG2-CB 3.85Å; V112-V120 HydrophobicContact CG1-CG2 3.85Å; V112-V120 HydrophobicContact CG2-CG2 4.01Å; V112-Y123 HydrophobicContact CB-CE2 4.42Å; V112-Y123 HydrophobicContact CG2-CE2 4.4Å; V112-A149 CarbonylContact O-C 3.26Å; V112-A149 WeakPolarHBondContact O-CA 3.33Å; V112-Y150 PolarHBondContact N-O 2.9Å; V112-Y150 PolarHBondContact O-N 3.43Å; V112-M152 HydrophobicContact CG1-CG 4.08Å; V112-M152 HydrophobicContact CG1-SD 3.78Å
113	R	96.3	Very high	97.4	Very high	41 Å²	41	35.1 Å²	35.1	16%	0.155	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.1	127.5	171.4	-76.2	177.9	-177	-86.5	1.8	110.5	E25 S115 N116 Y138 E147	E25-R113 IonicContact OE1-CZ 3.88Å; E25-R113 IonicContact OE1-NH2 2.78Å; E25-R113 PolarHBondContact OE1-NH2 3.47Å; R113-S115 PolarHBondContact O-N 2.85Å; R113-N116 HydrophobicContact CB-CB 4.13Å; R113-N116 WeakPolarHBondContact O-CB 3.45Å; R113-N116 PolarHBondContact O-N 3.46Å; R113-Y138 HydrophobicContact CB-CD2 4.36Å; R113-Y138 HydrophobicContact CB-CE2 4.12Å; R113-Y138 HydrophobicContact CG-CD1 4.28Å; R113-Y138 HydrophobicContact CG-CD2 3.39Å; R113-Y138 HydrophobicContact CG-CE1 4.28Å; R113-Y138 HydrophobicContact CG-CE2 3.37Å; R113-Y138 HydrophobicContact CG-CG 3.86Å; R113-E147 WeakPolarHBondContact CB-OE1 3.44Å; R113-E147 VanDerWaalsContact CD-OE2 3.23Å; R113-E147 WeakPolarHBondContact CD-OE2 3.27Å; R113-E147 VanDerWaalsContact CG-OE2 3.29Å; R113-E147 WeakPolarHBondContact CG-OE2 3.2Å; R113-E147 IonicContact CZ-OE2 2.68Å; R113-E147 IonicContact NE-OE2 2.69Å; R113-E147 IonicContact NH1-OE2 2.87Å; R113-E147 PolarHBondContact NH1-OE2 3.48Å
114	V	95.8	Very high	97.5	Very high	37 Å²	37	36.8 Å²	36.8	22%	0.224	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.5	-179	173.1	0	0	0	0	111.6	V112 N116 Q117 E147 D148 Y150	V112-V114 PolarHBondContact O-N 2.93Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 2.69Å; V114-Q117 PolarHBondContact O-NE2 2.97Å; V114-E147 PolarHBondContact N-OE1 3.1Å; V114-D148 HydrophobicContact CG2-CB 3.97Å; V114-D148 WeakPolarHBondContact CG2-O 3.31Å; V114-D148 PolarHBondContact N-O 3.2Å; V114-D148 VanDerWaalsContact N-O 3.16Å; V114-Y150 HydrophobicContact CB-CE2 4.24Å; V114-Y150 HydrophobicContact CG1-CE1 4.49Å; V114-Y150 HydrophobicContact CG1-CE2 3.9Å; V114-Y150 HydrophobicContact CG2-CD1 3.93Å; V114-Y150 HydrophobicContact CG2-CD2 4.01Å; V114-Y150 HydrophobicContact CG2-CE1 3.79Å; V114-Y150 HydrophobicContact CG2-CE2 3.89Å; V114-Y150 HydrophobicContact CG2-CG 4.03Å
115	S	95.1	Very high	97.5	Very high	77 Å²	77	43.4 Å²	43.4	54%	0.538	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-21.6	175.2	68.2	0	0	0	0	114.1	R113 Q117 E147	R113-S115 PolarHBondContact O-N 2.85Å; S115-Q117 PolarHBondContact O-N 2.87Å; S115-E147 WeakPolarHBondContact CB-OE1 3.35Å; S115-E147 PolarHBondContact N-OE1 3.34Å; S115-E147 PolarHBondContact OG-OE1 2.79Å
116	N	95.9	Very high	97.5	Very high	30 Å²	30	45.5 Å²	45.5	16%	0.16	24%	0.235	C	C	.	.			trans	-80.1	67.6	-177.1	-171.2	-6	0	0	0	111.8	L23 V112 R113 V114 V118 A119 V120	L23-N116 HydrophobicContact CD1-CB 4.34Å; V112-N116 HydrophobicContact CG2-CB 4.25Å; R113-N116 HydrophobicContact CB-CB 4.13Å; R113-N116 WeakPolarHBondContact O-CB 3.45Å; R113-N116 PolarHBondContact O-N 3.46Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 2.69Å; N116-V118 PolarHBondContact O-N 3.24Å; N116-V118 VanDerWaalsContact O-N 3.13Å; N116-A119 HydrophobicContact CB-CB 4.39Å; N116-A119 VanDerWaalsContact CG-CB 3.47Å; N116-A119 WeakPolarHBondContact ND2-CB 3.47Å; N116-A119 PolarHBondContact O-N 3Å; N116-A119 VanDerWaalsContact O-N 3.13Å; N116-A119 WeakPolarHBondContact OD1-CB 3.45Å; N116-A119 PolarHBondContact OD1-N 3.45Å; N116-A119 VanDerWaalsContact OD1-N 3.1Å; N116-V120 WeakPolarHBondContact O-CG2 3.45Å; N116-V120 PolarHBondContact O-N 2.69Å
117	Q	97.2	Very high	97.5	Very high	92 Å²	92	46.5 Å²	46.5	43%	0.43	25%	0.253	S	S	.	.	H	α-helix	trans	-61.2	-24.8	-177.7	-66.8	-60.6	-36.2	0	0	113.1	V114 S115 N121	V114-Q117 PolarHBondContact O-NE2 2.97Å; S115-Q117 PolarHBondContact O-N 2.87Å; Q117-N121 VanDerWaalsContact O-CB 3.24Å; Q117-N121 WeakPolarHBondContact O-CB 3.31Å; Q117-N121 PolarHBondContact O-N 2.99Å; Q117-N121 PolarHBondContact O-ND2 2.98Å
118	V	96.1	Very high	97.5	Very high	111 Å²	111	46.6 Å²	46.6	67%	0.673	25%	0.253	S	S	*	.	H	α-helix	trans	-66.4	-50.1	175.4	178.1	0	0	0	0	110.4	N116 M122	N116-V118 PolarHBondContact O-N 3.24Å; N116-V118 VanDerWaalsContact O-N 3.13Å; V118-M122 WeakPolarHBondContact O-CB 3.32Å; V118-M122 PolarHBondContact O-N 3.29Å; V118-M122 VanDerWaalsContact O-N 3.08Å
119	A	97.1	Very high	97.5	Very high	17 Å²	17	48.4 Å²	48.4	14%	0.14	27%	0.266	C	S	.	.	H	α-helix	trans	-67.8	-44.5	177.7	0	0	0	0	0	111.7	V112 N116 N121 M122 Y123	V112-A119 HydrophobicContact CG2-CB 3.85Å; N116-A119 HydrophobicContact CB-CB 4.39Å; N116-A119 VanDerWaalsContact CG-CB 3.47Å; N116-A119 WeakPolarHBondContact ND2-CB 3.47Å; N116-A119 PolarHBondContact O-N 3Å; N116-A119 VanDerWaalsContact O-N 3.13Å; N116-A119 WeakPolarHBondContact OD1-CB 3.45Å; N116-A119 PolarHBondContact OD1-N 3.45Å; N116-A119 VanDerWaalsContact OD1-N 3.1Å; A119-N121 VanDerWaalsContact C-N 3.3Å; A119-N121 PolarHBondContact O-N 3.41Å; A119-M122 WeakPolarHBondContact O-CB 3.25Å; A119-M122 PolarHBondContact O-N 2.86Å; A119-M122 VanDerWaalsContact O-N 3.11Å; A119-Y123 HydrophobicContact CB-CD2 4.35Å; A119-Y123 HydrophobicContact CB-CE2 4.05Å; A119-Y123 WeakPolarHBondContact O-CD2 3.39Å; A119-Y123 PolarHBondContact O-N 2.94Å
120	V	98.3	Very high	97.5	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.5	-46.1	177.4	171.9	0	0	0	0	111.3	V112 N116 Y123 K124 Y150	V112-V120 HydrophobicContact CG1-CG2 3.85Å; V112-V120 HydrophobicContact CG2-CG2 4.01Å; N116-V120 WeakPolarHBondContact O-CG2 3.45Å; N116-V120 PolarHBondContact O-N 2.69Å; V120-Y123 PolarHBondContact O-N 3.48Å; V120-K124 HydrophobicContact CG1-CD 4.28Å; V120-K124 WeakPolarHBondContact O-CG 3.42Å; V120-K124 PolarHBondContact O-N 2.81Å; V120-Y150 HydrophobicContact CG2-CD2 4.07Å; V120-Y150 HydrophobicContact CG2-CE2 4.5Å
121	N	98	Very high	97.4	Very high	79 Å²	79	51.6 Å²	51.6	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-68.6	-36.9	178.9	-72	-36.7	0	0	0	112.5	Q117 A119 K124 Q125	Q117-N121 VanDerWaalsContact O-CB 3.24Å; Q117-N121 WeakPolarHBondContact O-CB 3.31Å; Q117-N121 PolarHBondContact O-N 2.99Å; Q117-N121 PolarHBondContact O-ND2 2.98Å; A119-N121 VanDerWaalsContact C-N 3.3Å; A119-N121 PolarHBondContact O-N 3.41Å; N121-K124 PolarHBondContact O-N 2.95Å; N121-Q125 WeakPolarHBondContact O-CG 3.38Å; N121-Q125 PolarHBondContact O-N 3.13Å
122	M	97.9	Very high	97.3	Very high	45 Å²	45	51.6 Å²	51.6	22%	0.222	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-49	173	-178.8	-159	72.6	0	0	111.1	L77 A89 V118 A119 K124 Q125 L126	L77-M122 HydrophobicContact CD2-CE 3.99Å; A89-M122 HydrophobicContact CB-SD 3.65Å; V118-M122 WeakPolarHBondContact O-CB 3.32Å; V118-M122 PolarHBondContact O-N 3.29Å; V118-M122 VanDerWaalsContact O-N 3.08Å; A119-M122 WeakPolarHBondContact O-CB 3.25Å; A119-M122 PolarHBondContact O-N 2.86Å; A119-M122 VanDerWaalsContact O-N 3.11Å; M122-K124 PolarHBondContact O-N 3.28Å; M122-Q125 WeakPolarHBondContact O-CB 3.44Å; M122-Q125 PolarHBondContact O-N 3.49Å; M122-Q125 VanDerWaalsContact O-N 3.12Å; M122-L126 HydrophobicContact CE-CD1 4.29Å; M122-L126 HydrophobicContact CG-CD1 4.26Å; M122-L126 WeakPolarHBondContact O-CG 3.44Å; M122-L126 PolarHBondContact O-N 3.5Å
123	Y	98.6	Very high	97.3	Very high	17 Å²	17	53.2 Å²	53.2	7%	0.067	29%	0.291	C	S	.	.	H	α-helix	trans	-62.9	-40.8	179.5	-69.7	-54.9	0	0	0	112.2	L77 M93 L110 V112 A119 V120 Q125 L126 G127 Y128 M152	L77-Y123 HydrophobicContact CD2-CE1 4.23Å; M93-Y123 HydrophobicContact CE-CD1 4.32Å; M93-Y123 HydrophobicContact CE-CE1 3.94Å; M93-Y123 HydrophobicContact CG-CE1 4.35Å; M93-Y123 HydrophobicContact SD-CE1 3.91Å; L110-Y123 HydrophobicContact CD1-CD2 3.75Å; L110-Y123 HydrophobicContact CD1-CE1 4.46Å; L110-Y123 HydrophobicContact CD1-CE2 3.56Å; L110-Y123 HydrophobicContact CD1-CG 4.28Å; L110-Y123 HydrophobicContact CD2-CD1 3.43Å; L110-Y123 VanDerWaalsContact CD2-CD1 3.43Å; L110-Y123 HydrophobicContact CD2-CD2 4.07Å; L110-Y123 HydrophobicContact CD2-CE1 3.28Å; L110-Y123 HydrophobicContact CD2-CE2 3.94Å; L110-Y123 HydrophobicContact CD2-CG 3.84Å; L110-Y123 HydrophobicContact CG-CE1 4.49Å; L110-Y123 HydrophobicContact CG-CE2 4.42Å; V112-Y123 HydrophobicContact CB-CE2 4.42Å; V112-Y123 HydrophobicContact CG2-CE2 4.4Å; A119-Y123 HydrophobicContact CB-CD2 4.35Å; A119-Y123 HydrophobicContact CB-CE2 4.05Å; A119-Y123 WeakPolarHBondContact O-CD2 3.39Å; A119-Y123 PolarHBondContact O-N 2.94Å; V120-Y123 PolarHBondContact O-N 3.48Å; Y123-Q125 VanDerWaalsContact C-N 3.31Å; Y123-Q125 PolarHBondContact O-N 3.26Å; Y123-L126 HydrophobicContact CD1-CD1 4.41Å; Y123-L126 CarbonylContact O-C 3.55Å; Y123-L126 PolarHBondContact O-N 3.41Å; Y123-L126 VanDerWaalsContact O-N 3.07Å; Y123-G127 PolarHBondContact O-N 2.91Å; Y123-Y128 HydrophobicContact CD1-CD2 4.31Å; Y123-Y128 WeakPolarHBondContact O-CB 3.13Å; Y123-Y128 WeakPolarHBondContact O-CD2 2.99Å; Y123-Y128 PolarHBondContact O-N 2.7Å; Y123-M152 HydrophobicContact CD2-SD 4.42Å
124	K	98.4	Very high	97.2	Very high	108 Å²	108	51.3 Å²	51.3	47%	0.47	28%	0.284	S	S	.	.	H	α-helix	trans	-57.6	-42.5	171.9	-73.8	176.6	-179.8	174.1	0	112.3	V120 N121 M122 L126 G127 Y128 M152	V120-K124 HydrophobicContact CG1-CD 4.28Å; V120-K124 WeakPolarHBondContact O-CG 3.42Å; V120-K124 PolarHBondContact O-N 2.81Å; N121-K124 PolarHBondContact O-N 2.95Å; M122-K124 PolarHBondContact O-N 3.28Å; K124-L126 VanDerWaalsContact C-N 3.28Å; K124-L126 PolarHBondContact O-N 3.3Å; K124-G127 PolarHBondContact O-N 2.88Å; K124-G127 VanDerWaalsContact O-N 3.14Å; K124-Y128 WeakPolarHBondContact CA-O 3Å; K124-M152 HydrophobicContact CG-CE 3.87Å
125	Q	98.1	Very high	97.2	Very high	171 Å²	171	51.7 Å²	51.7	80%	0.799	28%	0.284	S	S	*	.	H	α-helix	trans	-65.4	-30.4	176	-73.5	176.5	-16.2	0	0	112.9	N121 M122 Y123 G127	N121-Q125 WeakPolarHBondContact O-CG 3.38Å; N121-Q125 PolarHBondContact O-N 3.13Å; M122-Q125 WeakPolarHBondContact O-CB 3.44Å; M122-Q125 PolarHBondContact O-N 3.49Å; M122-Q125 VanDerWaalsContact O-N 3.12Å; Y123-Q125 VanDerWaalsContact C-N 3.31Å; Y123-Q125 PolarHBondContact O-N 3.26Å; Q125-G127 PolarHBondContact O-N 2.89Å
126	L	98	Very high	97.1	Very high	45 Å²	45	52 Å²	52	24%	0.236	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-2.9	174.9	-65.9	174.2	0	0	0	113.7	A90 M93 M122 Y123 K124 Y128 K154	A90-L126 HydrophobicContact CB-CD2 3.9Å; M93-L126 HydrophobicContact CB-CD1 4.1Å; M93-L126 HydrophobicContact CG-CD1 4.02Å; M122-L126 HydrophobicContact CE-CD1 4.29Å; M122-L126 HydrophobicContact CG-CD1 4.26Å; M122-L126 WeakPolarHBondContact O-CG 3.44Å; M122-L126 PolarHBondContact O-N 3.5Å; Y123-L126 HydrophobicContact CD1-CD1 4.41Å; Y123-L126 CarbonylContact O-C 3.55Å; Y123-L126 PolarHBondContact O-N 3.41Å; Y123-L126 VanDerWaalsContact O-N 3.07Å; K124-L126 VanDerWaalsContact C-N 3.28Å; K124-L126 PolarHBondContact O-N 3.3Å; L126-Y128 HydrophobicContact CB-CD2 3.96Å; L126-Y128 HydrophobicContact CB-CE2 4.1Å; L126-K154 WeakPolarHBondContact O-CE 3.26Å; L126-K154 PolarHBondContact O-NZ 3.28Å
127	G	98.1	Very high	96.9	Very high	49 Å²	49	53.9 Å²	53.9	51%	0.505	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.4	11.5	177.9	0	0	0	0	0	115	Y123 K124 Q125	Y123-G127 PolarHBondContact O-N 2.91Å; K124-G127 PolarHBondContact O-N 2.88Å; K124-G127 VanDerWaalsContact O-N 3.14Å; Q125-G127 PolarHBondContact O-N 2.89Å
128	Y	98.6	Very high	96.6	Very high	6 Å²	6	51.3 Å²	51.3	2%	0.024	27%	0.269	C	S	.	.			trans	-78.8	146.2	172.3	-67.6	-106.1	0	0	0	110.7	M93 E97 V108 L110 Y123 K124 L126 R153 K154	M93-Y128 HydrophobicContact CE-CE1 4.19Å; M93-Y128 HydrophobicContact CE-CE2 3.68Å; M93-Y128 WeakPolarHBondContact CE-OH 3.25Å; E97-Y128 WeakPolarHBondContact OE1-CE2 3.41Å; E97-Y128 PolarHBondContact OE1-OH 2.88Å; V108-Y128 HydrophobicContact CB-CE1 4.17Å; V108-Y128 HydrophobicContact CG1-CE1 4.04Å; V108-Y128 WeakPolarHBondContact CG1-OH 3.25Å; L110-Y128 HydrophobicContact CD2-CD1 3.88Å; L110-Y128 HydrophobicContact CD2-CE1 3.86Å; L110-Y128 HydrophobicContact CD2-CG 4.49Å; Y123-Y128 HydrophobicContact CD1-CD2 4.31Å; Y123-Y128 WeakPolarHBondContact O-CB 3.13Å; Y123-Y128 WeakPolarHBondContact O-CD2 2.99Å; Y123-Y128 PolarHBondContact O-N 2.7Å; K124-Y128 WeakPolarHBondContact CA-O 3Å; L126-Y128 HydrophobicContact CB-CD2 3.96Å; L126-Y128 HydrophobicContact CB-CE2 4.1Å; Y128-R153 WeakPolarHBondContact CA-O 3.36Å; Y128-K154 HydrophobicContact CD1-CB 3.67Å; Y128-K154 HydrophobicContact CD2-CB 4.05Å; Y128-K154 HydrophobicContact CD2-CD 4.06Å; Y128-K154 HydrophobicContact CE1-CB 3.6Å; Y128-K154 HydrophobicContact CE2-CB 3.98Å; Y128-K154 HydrophobicContact CE2-CD 3.64Å; Y128-K154 HydrophobicContact CE2-CG 4.48Å; Y128-K154 HydrophobicContact CG-CB 3.87Å
129	S	97.8	Very high	96.1	Very high	38 Å²	38	50.5 Å²	50.5	27%	0.266	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	150.6	176.4	58.9	0	0	0	0	109.9	Y131 M152 R153	S129-Y131 PolarHBondContact O-N 3.34Å; S129-M152 CarbonylContact O-C 3.5Å; S129-M152 VanDerWaalsContact O-CA 3.25Å; S129-M152 WeakPolarHBondContact O-CA 3.38Å; S129-R153 PolarHBondContact N-O 3.29Å; S129-R153 PolarHBondContact O-N 3.39Å; S129-R153 PolarHBondContact OG-O 3.29Å
130	V	97.8	Very high	95	Very high	41 Å²	41	51.5 Å²	51.5	25%	0.248	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	116.1	175.5	179.4	0	0	0	0	108	Y150 M152	V130-Y150 HydrophobicContact CG1-CD1 3.68Å; V130-Y150 HydrophobicContact CG1-CE1 4.29Å; V130-Y150 HydrophobicContact CG1-CG 4.07Å; V130-Y150 HydrophobicContact CG2-CD1 4.36Å; V130-Y150 HydrophobicContact CG2-CD2 4.26Å; V130-Y150 HydrophobicContact CG2-CG 4.08Å; V130-M152 HydrophobicContact CG2-CE 4.32Å; V130-M152 HydrophobicContact CG2-CG 4.23Å
131	Y	96.9	Very high	93.6	Very high	36 Å²	36	55.1 Å²	55.1	14%	0.141	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-45.2	176.4	180	-109.9	0	0	0	111	S129 D151 R153 S164 V166 P167 I168	S129-Y131 PolarHBondContact O-N 3.34Å; Y131-D151 WeakPolarHBondContact CB-O 3.46Å; Y131-D151 WeakPolarHBondContact CD1-OD2 3.32Å; Y131-D151 PolarHBondContact N-O 2.96Å; Y131-R153 VanDerWaalsContact CD1-CZ 3.45Å; Y131-R153 VanDerWaalsContact CE1-CZ 3.44Å; Y131-R153 VanDerWaalsContact CE1-NH1 3.34Å; Y131-R153 HydrophobicContact CG-CG 4.2Å; Y131-S164 WeakPolarHBondContact CD2-O 3.14Å; Y131-S164 VanDerWaalsContact CE2-O 3.25Å; Y131-S164 WeakPolarHBondContact CE2-O 3.05Å; Y131-V166 VanDerWaalsContact CD2-O 3.26Å; Y131-V166 WeakPolarHBondContact CD2-O 3.26Å; Y131-V166 WeakPolarHBondContact CE2-O 3.36Å; Y131-P167 CarbonylContact O-C 3.56Å; Y131-P167 VanDerWaalsContact O-CA 3.27Å; Y131-P167 WeakPolarHBondContact O-CA 3.02Å; Y131-I168 HydrophobicContact CD1-CD1 4.45Å; Y131-I168 HydrophobicContact CE1-CD1 3.52Å; Y131-I168 HydrophobicContact CE1-CG1 3.97Å; Y131-I168 HydrophobicContact CE2-CG1 4.22Å; Y131-I168 PolarHBondContact O-N 3.13Å; Y131-I168 WeakPolarHBondContact OH-CD1 3.43Å
132	R	95.9	Very high	91.9	Very high	38 Å²	38	59.4 Å²	59.4	14%	0.143	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	171.4	175	63.3	-179.1	123	-167.4	0.5	111.3	V134 D151 I168 V172	R132-V134 HydrophobicContact CG-CG2 4.45Å; R132-D151 HydrophobicContact CG-CB 3.6Å; R132-D151 IonicContact CZ-OD2 2.84Å; R132-D151 PolarHBondContact N-O 3.37Å; R132-D151 IonicContact NE-OD2 3.64Å; R132-D151 PolarHBondContact NE-OD2 3.43Å; R132-D151 IonicContact NH2-OD2 3.69Å; R132-D151 PolarHBondContact O-N 2.97Å; R132-I168 HydrophobicContact CB-CB 4.32Å; R132-V172 HydrophobicContact CG-CG2 4.47Å
133	T	97	Very high	90.4	Very high	40 Å²	40	61.2 Å²	61.2	25%	0.245	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131.4	167.9	-52.6	0	0	0	0	108.7	D148 A149 Y150 P171 V172	T133-D148 HydrophobicContact CG2-CB 4.09Å; T133-A149 CarbonylContact C-O 3.57Å; T133-A149 WeakPolarHBondContact CA-O 3.24Å; T133-Y150 HydrophobicContact CG2-CD1 4.42Å; T133-Y150 HydrophobicContact CG2-CE1 4.41Å; T133-P171 VanDerWaalsContact O-CA 3.28Å; T133-P171 WeakPolarHBondContact O-CA 3.4Å; T133-V172 PolarHBondContact O-N 3.06Å
134	V	96	Very high	89.3	Confident	0 Å²	0	67 Å²	67	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	114.8	174.5	-169	0	0	0	0	107.9	F111 R132 Y137 D148 A149 D151 V172 P174 I177	F111-V134 HydrophobicContact CD1-CG2 4.34Å; F111-V134 HydrophobicContact CE1-CG2 3.9Å; R132-V134 HydrophobicContact CG-CG2 4.45Å; V134-Y137 HydrophobicContact CB-CD2 4.27Å; V134-Y137 HydrophobicContact CG1-CD2 3.8Å; V134-Y137 HydrophobicContact CG1-CG 4.34Å; V134-D148 CarbonylContact O-C 3.57Å; V134-D148 WeakPolarHBondContact O-CA 3.34Å; V134-A149 PolarHBondContact N-O 3.43Å; V134-A149 PolarHBondContact O-N 2.69Å; V134-D151 HydrophobicContact CG2-CB 4.43Å; V134-V172 CarbonylContact C-O 3.59Å; V134-V172 WeakPolarHBondContact CA-O 3.36Å; V134-V172 HydrophobicContact CG1-CG2 4.41Å; V134-V172 HydrophobicContact CG2-CG2 4.04Å; V134-P174 HydrophobicContact CG1-CG 4.02Å; V134-I177 HydrophobicContact CG1-CD1 4.44Å; V134-I177 HydrophobicContact CG2-CG2 4.5Å
135	I	94.4	Very high	88.5	Confident	46 Å²	46	67.3 Å²	67.3	24%	0.236	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	140.8	-175	-55.4	178.6	0	0	0	109.4	Y137 D148 P171 V172 P174	I135-Y137 PolarHBondContact O-N 2.67Å; I135-D148 VanDerWaalsContact CA-OD1 3.28Å; I135-D148 WeakPolarHBondContact CA-OD1 3.46Å; I135-P171 HydrophobicContact CD1-CB 3.76Å; I135-P171 HydrophobicContact CD1-CG 3.83Å; I135-P171 HydrophobicContact CG1-CB 3.75Å; I135-P171 HydrophobicContact CG1-CG 4.37Å; I135-V172 PolarHBondContact N-O 3.4Å; I135-P174 WeakPolarHBondContact O-CD 2.79Å
136	E	92.9	Very high	88.1	Confident	83 Å²	83	63 Å²	63	39%	0.388	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	55.2	30	171.8	-68.7	161	-179.8	0	0	112.9	D146 D148 R173	E136-D146 HydrophobicContact CB-CB 4.04Å; E136-D146 HydrophobicContact CG-CB 3.95Å; E136-D148 PolarHBondContact N-OD1 3.3Å; E136-R173 IonicContact OE2-CZ 3.23Å; E136-R173 IonicContact OE2-NH1 2.63Å; E136-R173 PolarHBondContact OE2-NH1 3.12Å; E136-R173 IonicContact OE2-NH2 3.73Å
137	Y	92.4	Very high	87.9	Confident	70 Å²	70	62.7 Å²	62.7	28%	0.275	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	-44.7	-174.5	-179.5	-93	0	0	0	112.7	F111 V134 I135 E147 A149 P174 I177	F111-Y137 HydrophobicContact CB-CD1 4.38Å; F111-Y137 HydrophobicContact CB-CE1 3.77Å; F111-Y137 HydrophobicContact CD1-CE2 4.26Å; F111-Y137 HydrophobicContact CD2-CE1 4.16Å; F111-Y137 AromaticContact CD2-CE2 3.98Å; F111-Y137 HydrophobicContact CD2-CE2 3.98Å; F111-Y137 AromaticContact CD2-CZ 3.49Å; F111-Y137 VanDerWaalsContact CD2-CZ 3.49Å; F111-Y137 WeakPolarHBondContact CD2-OH 3.2Å; F111-Y137 HydrophobicContact CE1-CE2 4.36Å; F111-Y137 HydrophobicContact CE2-CE2 4.09Å; F111-Y137 AromaticContact CG-CE1 3.94Å; F111-Y137 HydrophobicContact CG-CE1 3.94Å; F111-Y137 HydrophobicContact CG-CE2 4.07Å; F111-Y137 AromaticContact CG-CZ 3.64Å; F111-Y137 HydrophobicContact CZ-CE2 4.29Å; V134-Y137 HydrophobicContact CB-CD2 4.27Å; V134-Y137 HydrophobicContact CG1-CD2 3.8Å; V134-Y137 HydrophobicContact CG1-CG 4.34Å; I135-Y137 PolarHBondContact O-N 2.67Å; Y137-E147 PolarHBondContact N-O 2.72Å; Y137-A149 HydrophobicContact CD1-CB 3.66Å; Y137-A149 HydrophobicContact CG-CB 3.72Å; Y137-P174 HydrophobicContact CD2-CB 4.4Å; Y137-P174 HydrophobicContact CD2-CG 4.28Å; Y137-I177 HydrophobicContact CD2-CD1 4.37Å; Y137-I177 HydrophobicContact CE2-CD1 3.99Å
138	Y	90.1	Very high	87.7	Confident	37 Å²	37	63.2 Å²	63.2	15%	0.145	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	108.1	176.2	-64.4	-79.9	0	0	0	109.2	F111 R113 A140 E147 A149	F111-Y138 VanDerWaalsContact C-OH 3.3Å; F111-Y138 PolarHBondContact O-OH 2.91Å; F111-Y138 VanDerWaalsContact O-OH 3.13Å; R113-Y138 HydrophobicContact CB-CD2 4.36Å; R113-Y138 HydrophobicContact CB-CE2 4.12Å; R113-Y138 HydrophobicContact CG-CD1 4.28Å; R113-Y138 HydrophobicContact CG-CD2 3.39Å; R113-Y138 HydrophobicContact CG-CE1 4.28Å; R113-Y138 HydrophobicContact CG-CE2 3.37Å; R113-Y138 HydrophobicContact CG-CG 3.86Å; Y138-A140 PolarHBondContact O-N 3.02Å; Y138-E147 PolarHBondContact N-O 3.45Å; Y138-E147 PolarHBondContact O-N 3.27Å; Y138-A149 HydrophobicContact CD2-CB 4.08Å; Y138-A149 HydrophobicContact CE2-CB 3.56Å
139	S	85.3	Confident	87.6	Confident	95 Å²	95	62.9 Å²	62.9	66%	0.664	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-60.9	134.2	173.5	-53.2	0	0	0	0	110.4	D146	S139-D146 WeakPolarHBondContact CA-OD1 3.22Å
140	A	74.9	Confident	87.7	Confident	37 Å²	37	63.8 Å²	63.8	31%	0.306	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-65.6	140.7	174.9	0	0	0	0	0	111.6	Y138 E144 D146	Y138-A140 PolarHBondContact O-N 3.02Å; A140-E144 VanDerWaalsContact CB-C 3.4Å; A140-E144 HydrophobicContact CB-CB 4.05Å; A140-E144 WeakPolarHBondContact CB-O 3.01Å; A140-D146 PolarHBondContact N-OD1 2.6Å
141	S	68	Low	87.7	Confident	77 Å²	77	62 Å²	62	54%	0.538	35%	0.352	S	S	.	.	S	Bend	trans	-101.9	148.4	161.4	61.4	0	0	0	0	108.7	G143	S141-G143 VanDerWaalsContact C-N 3.35Å; S141-G143 PolarHBondContact O-N 3.23Å
142	N	63.8	Low	87.7	Confident	169 Å²	169	60.2 Å²	60.2	90%	0.904	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.7	28.8	171.6	-54.2	-32.2	0	0	0	117
143	G	65.3	Low	87.8	Confident	82 Å²	82	59.5 Å²	59.5	85%	0.845	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	11.6	171.4	0	0	0	0	0	115.4	S141	S141-G143 VanDerWaalsContact C-N 3.35Å; S141-G143 PolarHBondContact O-N 3.23Å
144	E	76.3	Confident	87.9	Confident	140 Å²	140	60 Å²	60	65%	0.654	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-68.3	163.2	165.2	-67.8	-168.8	165.8	0	0	111	A140	A140-E144 VanDerWaalsContact CB-C 3.4Å; A140-E144 HydrophobicContact CB-CB 4.05Å; A140-E144 WeakPolarHBondContact CB-O 3.01Å
145	P	82.2	Confident	88	Confident	113 Å²	113	61.1 Å²	61.1	73%	0.734	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-73.3	148.2	169.1	30.2	-33.5	0	0	0	110.6
146	D	88.8	Confident	88.2	Confident	81 Å²	81	59.5 Å²	59.5	43%	0.433	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-57.3	148.3	169.8	-65.4	-27.4	0	0	0	110.1	E136 S139 A140	E136-D146 HydrophobicContact CB-CB 4.04Å; E136-D146 HydrophobicContact CG-CB 3.95Å; S139-D146 WeakPolarHBondContact CA-OD1 3.22Å; A140-D146 PolarHBondContact N-OD1 2.6Å
147	E	92.6	Very high	88.4	Confident	38 Å²	38	59.4 Å²	59.4	18%	0.178	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.1	-174.9	-162.9	-171.4	172.4	0	0	111.9	R113 V114 S115 Y137 Y138	R113-E147 WeakPolarHBondContact CB-OE1 3.44Å; R113-E147 VanDerWaalsContact CD-OE2 3.23Å; R113-E147 WeakPolarHBondContact CD-OE2 3.27Å; R113-E147 VanDerWaalsContact CG-OE2 3.29Å; R113-E147 WeakPolarHBondContact CG-OE2 3.2Å; R113-E147 IonicContact CZ-OE2 2.68Å; R113-E147 IonicContact NE-OE2 2.69Å; R113-E147 IonicContact NH1-OE2 2.87Å; R113-E147 PolarHBondContact NH1-OE2 3.48Å; V114-E147 PolarHBondContact N-OE1 3.1Å; S115-E147 WeakPolarHBondContact CB-OE1 3.35Å; S115-E147 PolarHBondContact N-OE1 3.34Å; S115-E147 PolarHBondContact OG-OE1 2.79Å; Y137-E147 PolarHBondContact N-O 2.72Å; Y138-E147 PolarHBondContact N-O 3.45Å; Y138-E147 PolarHBondContact O-N 3.27Å
148	D	95.6	Very high	88.5	Confident	60 Å²	60	58.1 Å²	58.1	32%	0.321	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	152	172.7	-62.6	-9.6	0	0	0	111.7	V114 T133 V134 I135 E136	V114-D148 HydrophobicContact CG2-CB 3.97Å; V114-D148 WeakPolarHBondContact CG2-O 3.31Å; V114-D148 PolarHBondContact N-O 3.2Å; V114-D148 VanDerWaalsContact N-O 3.16Å; T133-D148 HydrophobicContact CG2-CB 4.09Å; V134-D148 CarbonylContact O-C 3.57Å; V134-D148 WeakPolarHBondContact O-CA 3.34Å; I135-D148 VanDerWaalsContact CA-OD1 3.28Å; I135-D148 WeakPolarHBondContact CA-OD1 3.46Å; E136-D148 PolarHBondContact N-OD1 3.3Å
149	A	96.8	Very high	88.8	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.4	172.5	0	0	0	0	0	111.4	F111 V112 T133 V134 Y137 Y138	F111-A149 HydrophobicContact CB-CB 4.28Å; F111-A149 HydrophobicContact CD1-CB 4.4Å; V112-A149 CarbonylContact O-C 3.26Å; V112-A149 WeakPolarHBondContact O-CA 3.33Å; T133-A149 CarbonylContact C-O 3.57Å; T133-A149 WeakPolarHBondContact CA-O 3.24Å; V134-A149 PolarHBondContact N-O 3.43Å; V134-A149 PolarHBondContact O-N 2.69Å; Y137-A149 HydrophobicContact CD1-CB 3.66Å; Y137-A149 HydrophobicContact CG-CB 3.72Å; Y138-A149 HydrophobicContact CD2-CB 4.08Å; Y138-A149 HydrophobicContact CE2-CB 3.56Å
150	Y	97.9	Very high	89.2	Confident	57 Å²	57	58 Å²	58	22%	0.224	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	125.6	157.4	-66.1	-42.8	0	0	0	109.5	F111 V112 V114 V120 V130 T133 M152	F111-Y150 WeakPolarHBondContact CA-O 3.35Å; V112-Y150 PolarHBondContact N-O 2.9Å; V112-Y150 PolarHBondContact O-N 3.43Å; V114-Y150 HydrophobicContact CB-CE2 4.24Å; V114-Y150 HydrophobicContact CG1-CE1 4.49Å; V114-Y150 HydrophobicContact CG1-CE2 3.9Å; V114-Y150 HydrophobicContact CG2-CD1 3.93Å; V114-Y150 HydrophobicContact CG2-CD2 4.01Å; V114-Y150 HydrophobicContact CG2-CE1 3.79Å; V114-Y150 HydrophobicContact CG2-CE2 3.89Å; V114-Y150 HydrophobicContact CG2-CG 4.03Å; V120-Y150 HydrophobicContact CG2-CD2 4.07Å; V120-Y150 HydrophobicContact CG2-CE2 4.5Å; V130-Y150 HydrophobicContact CG1-CD1 3.68Å; V130-Y150 HydrophobicContact CG1-CE1 4.29Å; V130-Y150 HydrophobicContact CG1-CG 4.07Å; V130-Y150 HydrophobicContact CG2-CD1 4.36Å; V130-Y150 HydrophobicContact CG2-CD2 4.26Å; V130-Y150 HydrophobicContact CG2-CG 4.08Å; T133-Y150 HydrophobicContact CG2-CD1 4.42Å; T133-Y150 HydrophobicContact CG2-CE1 4.41Å; Y150-M152 PolarHBondContact O-N 3.3Å
151	D	97.8	Very high	90.1	Very high	2 Å²	2	63 Å²	63	1%	0.011	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	106.9	157.9	174.1	-5.8	0	0	0	106.2	L110 F111 Y131 R132 V134 R153	L110-D151 WeakPolarHBondContact O-CA 3.48Å; F111-D151 HydrophobicContact CD1-CB 4.1Å; F111-D151 HydrophobicContact CE1-CB 3.79Å; Y131-D151 WeakPolarHBondContact CB-O 3.46Å; Y131-D151 WeakPolarHBondContact CD1-OD2 3.32Å; Y131-D151 PolarHBondContact N-O 2.96Å; R132-D151 HydrophobicContact CG-CB 3.6Å; R132-D151 IonicContact CZ-OD2 2.84Å; R132-D151 PolarHBondContact N-O 3.37Å; R132-D151 IonicContact NE-OD2 3.64Å; R132-D151 PolarHBondContact NE-OD2 3.43Å; R132-D151 IonicContact NH2-OD2 3.69Å; R132-D151 PolarHBondContact O-N 2.97Å; V134-D151 HydrophobicContact CG2-CB 4.43Å; D151-R153 WeakPolarHBondContact OD1-CG 3.39Å; D151-R153 IonicContact OD1-NE 3.51Å; D151-R153 PolarHBondContact OD1-NE 3.08Å; D151-R153 IonicContact OD2-CZ 3.4Å; D151-R153 IonicContact OD2-NE 3.48Å; D151-R153 PolarHBondContact OD2-NE 2.53Å; D151-R153 IonicContact OD2-NH2 3.99Å; D151-R153 PolarHBondContact OD2-NH2 2.84Å
152	M	98.4	Very high	91.4	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133	179.8	-67	-166.7	71.9	0	0	110.4	D109 L110 V112 Y123 K124 S129 V130 Y150	D109-M152 VanDerWaalsContact CA-O 3.25Å; D109-M152 WeakPolarHBondContact CA-O 3.1Å; L110-M152 HydrophobicContact CD1-CB 3.99Å; L110-M152 HydrophobicContact CD1-CG 4.46Å; L110-M152 HydrophobicContact CG-CB 4.09Å; L110-M152 PolarHBondContact N-O 3.14Å; L110-M152 VanDerWaalsContact N-O 3.12Å; L110-M152 PolarHBondContact O-N 2.82Å; V112-M152 HydrophobicContact CG1-CG 4.08Å; V112-M152 HydrophobicContact CG1-SD 3.78Å; Y123-M152 HydrophobicContact CD2-SD 4.42Å; K124-M152 HydrophobicContact CG-CE 3.87Å; S129-M152 CarbonylContact O-C 3.5Å; S129-M152 VanDerWaalsContact O-CA 3.25Å; S129-M152 WeakPolarHBondContact O-CA 3.38Å; V130-M152 HydrophobicContact CG2-CE 4.32Å; V130-M152 HydrophobicContact CG2-CG 4.23Å; Y150-M152 PolarHBondContact O-N 3.3Å
153	R	98.4	Very high	92.9	Very high	22 Å²	22	61.7 Å²	61.7	8%	0.083	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	145.7	-175.9	-62.4	-173.6	178.2	-167	-10.6	113	F107 V108 D109 Y128 S129 Y131 D151 S164 I165	F107-R153 HydrophobicContact CD2-CG 4.21Å; F107-R153 HydrophobicContact CE2-CG 4.48Å; V108-R153 WeakPolarHBondContact O-CA 3.2Å; D109-R153 HydrophobicContact CB-CG 3.75Å; Y128-R153 WeakPolarHBondContact CA-O 3.36Å; S129-R153 PolarHBondContact N-O 3.29Å; S129-R153 PolarHBondContact O-N 3.39Å; S129-R153 PolarHBondContact OG-O 3.29Å; Y131-R153 VanDerWaalsContact CD1-CZ 3.45Å; Y131-R153 VanDerWaalsContact CE1-CZ 3.44Å; Y131-R153 VanDerWaalsContact CE1-NH1 3.34Å; Y131-R153 HydrophobicContact CG-CG 4.2Å; D151-R153 WeakPolarHBondContact OD1-CG 3.39Å; D151-R153 IonicContact OD1-NE 3.51Å; D151-R153 PolarHBondContact OD1-NE 3.08Å; D151-R153 IonicContact OD2-CZ 3.4Å; D151-R153 IonicContact OD2-NE 3.48Å; D151-R153 PolarHBondContact OD2-NE 2.53Å; D151-R153 IonicContact OD2-NH2 3.99Å; D151-R153 PolarHBondContact OD2-NH2 2.84Å; R153-S164 WeakPolarHBondContact CD-O 3.44Å; R153-S164 PolarHBondContact NH1-O 3.38Å; R153-I165 HydrophobicContact CB-CG2 3.97Å
154	K	98.5	Very high	94.2	Very high	50 Å²	50	58.3 Å²	58.3	22%	0.217	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	117.9	169.3	179.3	176.8	175.8	177.7	0	109.1	E97 F107 V108 L126 Y128	E97-K154 VanDerWaalsContact CD-NZ 3.33Å; E97-K154 IonicContact OE1-NZ 2.69Å; E97-K154 PolarHBondContact OE1-NZ 2.83Å; E97-K154 IonicContact OE2-NZ 3.47Å; E97-K154 PolarHBondContact OE2-NZ 3.42Å; F107-K154 CarbonylContact C-O 3.42Å; F107-K154 WeakPolarHBondContact CA-O 3.3Å; F107-K154 VanDerWaalsContact CB-O 3.27Å; F107-K154 WeakPolarHBondContact CB-O 3.23Å; V108-K154 PolarHBondContact N-O 2.89Å; V108-K154 PolarHBondContact O-N 3.12Å; L126-K154 WeakPolarHBondContact O-CE 3.26Å; L126-K154 PolarHBondContact O-NZ 3.28Å; Y128-K154 HydrophobicContact CD1-CB 3.67Å; Y128-K154 HydrophobicContact CD2-CB 4.05Å; Y128-K154 HydrophobicContact CD2-CD 4.06Å; Y128-K154 HydrophobicContact CE1-CB 3.6Å; Y128-K154 HydrophobicContact CE2-CB 3.98Å; Y128-K154 HydrophobicContact CE2-CD 3.64Å; Y128-K154 HydrophobicContact CE2-CG 4.48Å; Y128-K154 HydrophobicContact CG-CB 3.87Å
155	A	98.2	Very high	95.1	Very high	25 Å²	25	53.5 Å²	53.5	21%	0.207	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	135.5	175.4	0	0	0	0	0	110.3	D159 K162 I165	A155-D159 HydrophobicContact CB-CB 4.23Å; A155-K162 HydrophobicContact CB-CG 4.28Å; A155-I165 HydrophobicContact CB-CD1 4.35Å; A155-I165 HydrophobicContact CB-CG1 4.43Å; A155-I165 HydrophobicContact CB-CG2 3.88Å
156	L	97.9	Very high	95.7	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.063	28%	0.278	C	S	.	.			trans	-97.9	177.3	172.9	-65.8	-174.1	0	0	0	110.4	E101 G105 F106 V108 S158 D159	E101-L156 HydrophobicContact CG-CB 4.48Å; E101-L156 HydrophobicContact CG-CD1 4.18Å; E101-L156 HydrophobicContact CG-CD2 3.97Å; E101-L156 HydrophobicContact CG-CG 4.42Å; E101-L156 WeakPolarHBondContact OE1-CA 3.44Å; E101-L156 WeakPolarHBondContact OE1-CB 3.2Å; G105-L156 WeakPolarHBondContact O-CB 3.19Å; F106-L156 PolarHBondContact O-N 3.28Å; V108-L156 HydrophobicContact CG2-CD1 3.95Å; V108-L156 HydrophobicContact CG2-CD2 4.15Å; V108-L156 HydrophobicContact CG2-CG 4.24Å; L156-S158 PolarHBondContact O-N 3.4Å; L156-S158 VanDerWaalsContact O-N 3.12Å; L156-D159 PolarHBondContact O-N 3.37Å; L156-D159 VanDerWaalsContact O-N 3.07Å
157	S	97.1	Very high	95.9	Very high	81 Å²	81	52.6 Å²	52.6	57%	0.566	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27	-175.3	71.7	0	0	0	0	114.4	E101	E101-S157 PolarHBondContact OE1-N 2.97Å; E101-S157 VanDerWaalsContact OE2-CB 3.32Å; E101-S157 WeakPolarHBondContact OE2-CB 3.37Å; E101-S157 PolarHBondContact OE2-OG 2.97Å
158	S	95.5	Very high	95.8	Very high	43 Å²	43	53.6 Å²	53.6	30%	0.301	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-26.1	178.9	-55.4	0	0	0	0	113.1	G105 L156 T160	G105-S158 WeakPolarHBondContact O-CB 3.33Å; G105-S158 PolarHBondContact O-OG 3.23Å; L156-S158 PolarHBondContact O-N 3.4Å; L156-S158 VanDerWaalsContact O-N 3.12Å; S158-T160 VanDerWaalsContact C-N 3.3Å; S158-T160 PolarHBondContact O-N 3.16Å; S158-T160 VanDerWaalsContact O-N 3.1Å
159	D	95.8	Very high	95.2	Very high	9 Å²	9	56.2 Å²	56.2	5%	0.048	31%	0.309	C	S	.	.			trans	-87.3	69	174.7	-175.8	15.8	0	0	0	111.4	F106 A155 L156 E161 K162 K163 S164	F106-D159 HydrophobicContact CB-CB 4.2Å; F106-D159 HydrophobicContact CD1-CB 4.3Å; F106-D159 WeakPolarHBondContact O-CB 3.29Å; A155-D159 HydrophobicContact CB-CB 4.23Å; L156-D159 PolarHBondContact O-N 3.37Å; L156-D159 VanDerWaalsContact O-N 3.07Å; D159-E161 PolarHBondContact O-N 2.85Å; D159-K162 VanDerWaalsContact CG-CA 3.45Å; D159-K162 PolarHBondContact O-N 2.79Å; D159-K162 WeakPolarHBondContact OD1-CA 3.43Å; D159-K162 PolarHBondContact OD1-N 3.27Å; D159-K162 WeakPolarHBondContact OD2-CA 3.15Å; D159-K163 PolarHBondContact OD1-N 2.94Å; D159-K163 PolarHBondContact OD2-N 2.93Å; D159-K163 VanDerWaalsContact OD2-N 3.08Å; D159-S164 WeakPolarHBondContact OD2-CB 3.44Å; D159-S164 PolarHBondContact OD2-N 2.99Å; D159-S164 PolarHBondContact OD2-OG 3.2Å
160	T	93.9	Very high	94.8	Very high	121 Å²	121	62.8 Å²	62.8	74%	0.742	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.2	-176.4	56.6	0	0	0	0	114.1	S158	S158-T160 VanDerWaalsContact C-N 3.3Å; S158-T160 PolarHBondContact O-N 3.16Å; S158-T160 VanDerWaalsContact O-N 3.1Å
161	E	94.6	Very high	94.4	Very high	140 Å²	140	63.5 Å²	63.5	65%	0.654	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.2	179.4	-69.7	-176.5	-160.1	0	0	113	D159 K163	D159-E161 PolarHBondContact O-N 2.85Å; E161-K163 HydrophobicContact CB-CD 4.5Å; E161-K163 HydrophobicContact CB-CG 3.9Å; E161-K163 PolarHBondContact O-N 3.28Å; E161-K163 WeakPolarHBondContact OE2-CE 3.48Å; E161-K163 IonicContact OE2-NZ 3.62Å
162	K	95.2	Very high	94.1	Very high	127 Å²	127	64.6 Å²	64.6	55%	0.552	36%	0.358	S	S	*	.			trans	56.6	34.2	-178.8	-59.7	-172.5	179	-173.4	0	113.1	A155 D159 S164 I165	A155-K162 HydrophobicContact CB-CG 4.28Å; D159-K162 VanDerWaalsContact CG-CA 3.45Å; D159-K162 PolarHBondContact O-N 2.79Å; D159-K162 WeakPolarHBondContact OD1-CA 3.43Å; D159-K162 PolarHBondContact OD1-N 3.27Å; D159-K162 WeakPolarHBondContact OD2-CA 3.15Å; K162-S164 VanDerWaalsContact C-N 3.28Å; K162-S164 PolarHBondContact O-N 3.06Å; K162-I165 HydrophobicContact CB-CD1 3.95Å; K162-I165 HydrophobicContact CB-CG1 3.9Å; K162-I165 HydrophobicContact CD-CD1 4.12Å; K162-I165 HydrophobicContact CG-CD1 4.42Å; K162-I165 VanDerWaalsContact O-CG1 3.23Å; K162-I165 WeakPolarHBondContact O-CG1 3.47Å
163	K	94.1	Very high	93.8	Very high	92 Å²	92	69.8 Å²	69.8	40%	0.4	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-66.4	-34.1	-178.6	-61.9	178.8	-163.5	158.7	0	111.4	E68 D159 E161 I165 V166	E68-K163 IonicContact OE1-NZ 3.6Å; E68-K163 IonicContact OE2-NZ 2.85Å; E68-K163 PolarHBondContact OE2-NZ 3.31Å; D159-K163 PolarHBondContact OD1-N 2.94Å; D159-K163 PolarHBondContact OD2-N 2.93Å; D159-K163 VanDerWaalsContact OD2-N 3.08Å; E161-K163 HydrophobicContact CB-CD 4.5Å; E161-K163 HydrophobicContact CB-CG 3.9Å; E161-K163 PolarHBondContact O-N 3.28Å; E161-K163 WeakPolarHBondContact OE2-CE 3.48Å; E161-K163 IonicContact OE2-NZ 3.62Å; K163-I165 PolarHBondContact O-N 3.18Å; K163-V166 PolarHBondContact O-N 3Å
164	S	92.9	Very high	93.2	Very high	11 Å²	11	70.7 Å²	70.7	8%	0.077	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-67.9	-16.9	-174.8	66	0	0	0	0	114.1	F107 Y131 R153 D159 K162	F107-S164 WeakPolarHBondContact CB-OG 3.33Å; Y131-S164 WeakPolarHBondContact CD2-O 3.14Å; Y131-S164 VanDerWaalsContact CE2-O 3.25Å; Y131-S164 WeakPolarHBondContact CE2-O 3.05Å; R153-S164 WeakPolarHBondContact CD-O 3.44Å; R153-S164 PolarHBondContact NH1-O 3.38Å; D159-S164 WeakPolarHBondContact OD2-CB 3.44Å; D159-S164 PolarHBondContact OD2-N 2.99Å; D159-S164 PolarHBondContact OD2-OG 3.2Å; K162-S164 VanDerWaalsContact C-N 3.28Å; K162-S164 PolarHBondContact O-N 3.06Å
165	I	95.2	Very high	92.7	Very high	40 Å²	40	74.3 Å²	74.3	21%	0.205	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-108.3	2.5	-178.5	63.1	165.1	0	0	0	113.4	R153 A155 K162 K163 P167	R153-I165 HydrophobicContact CB-CG2 3.97Å; A155-I165 HydrophobicContact CB-CD1 4.35Å; A155-I165 HydrophobicContact CB-CG1 4.43Å; A155-I165 HydrophobicContact CB-CG2 3.88Å; K162-I165 HydrophobicContact CB-CD1 3.95Å; K162-I165 HydrophobicContact CB-CG1 3.9Å; K162-I165 HydrophobicContact CD-CD1 4.12Å; K162-I165 HydrophobicContact CG-CD1 4.42Å; K162-I165 VanDerWaalsContact O-CG1 3.23Å; K162-I165 WeakPolarHBondContact O-CG1 3.47Å; K163-I165 PolarHBondContact O-N 3.18Å; I165-P167 VanDerWaalsContact O-CD 3.22Å; I165-P167 WeakPolarHBondContact O-CD 3.27Å
166	V	94.8	Very high	92	Very high	91 Å²	91	78 Å²	78	55%	0.552	42%	0.42	S	S	*	.	S	Bend	trans	-70.1	115.9	175.9	179.6	0	0	0	0	108.5	Y131 K163 I168	Y131-V166 VanDerWaalsContact CD2-O 3.26Å; Y131-V166 WeakPolarHBondContact CD2-O 3.26Å; Y131-V166 WeakPolarHBondContact CE2-O 3.36Å; K163-V166 PolarHBondContact O-N 3Å; V166-I168 PolarHBondContact O-N 3.07Å
167	P	92.9	Very high	91.1	Very high	84 Å²	84	79.8 Å²	79.8	55%	0.545	43%	0.429	S	S	.	.			trans	-63.2	138.8	-172.7	-23.4	34.5	0	0	0	113	Y131 I165	Y131-P167 CarbonylContact O-C 3.56Å; Y131-P167 VanDerWaalsContact O-CA 3.27Å; Y131-P167 WeakPolarHBondContact O-CA 3.02Å; I165-P167 VanDerWaalsContact O-CD 3.22Å; I165-P167 WeakPolarHBondContact O-CD 3.27Å
168	I	90.7	Very high	89.3	Confident	58 Å²	58	87.7 Å²	87.7	30%	0.297	46%	0.457	S	S	.	.			trans	-85.8	125.3	168.8	-59.4	179.3	0	0	0	108.1	Y131 R132 V166 H170	Y131-I168 HydrophobicContact CD1-CD1 4.45Å; Y131-I168 HydrophobicContact CE1-CD1 3.52Å; Y131-I168 HydrophobicContact CE1-CG1 3.97Å; Y131-I168 HydrophobicContact CE2-CG1 4.22Å; Y131-I168 PolarHBondContact O-N 3.13Å; Y131-I168 WeakPolarHBondContact OH-CD1 3.43Å; R132-I168 HydrophobicContact CB-CB 4.32Å; V166-I168 PolarHBondContact O-N 3.07Å; I168-H170 VanDerWaalsContact C-N 3.33Å; I168-H170 PolarHBondContact O-N 3.1Å
169	P	83.5	Confident	89	Confident	115 Å²	115	90 Å²	90	75%	0.747	47%	0.465	S	S	*	.	S	Bend	trans	-74.6	-20.7	-172.6	26	-32.6	0	0	0	114.3
170	H	87.8	Confident	88.6	Confident	138 Å²	138	94.2 Å²	94.2	64%	0.639	49%	0.487	S	S	*	.	S	Bend	trans	-102.4	135	-177.5	-56.7	96.8	0	0	0	110.4	I168	I168-H170 VanDerWaalsContact C-N 3.33Å; I168-H170 PolarHBondContact O-N 3.1Å
171	P	88.9	Confident	88.3	Confident	73 Å²	73	92.7 Å²	92.7	47%	0.474	47%	0.473	S	S	.	.			trans	-68.5	153.9	173.5	33.2	-37.1	0	0	0	110.5	T133 I135	T133-P171 VanDerWaalsContact O-CA 3.28Å; T133-P171 WeakPolarHBondContact O-CA 3.4Å; I135-P171 HydrophobicContact CD1-CB 3.76Å; I135-P171 HydrophobicContact CD1-CG 3.83Å; I135-P171 HydrophobicContact CG1-CB 3.75Å; I135-P171 HydrophobicContact CG1-CG 4.37Å
172	V	92.6	Very high	87.9	Confident	24 Å²	24	89.9 Å²	89.9	15%	0.145	46%	0.462	C	S	.	.	B	Isolated β-bridge	trans	-123.9	164.4	-178.8	-59	0	0	0	0	110.4	R132 T133 V134 I135 D176 I177	R132-V172 HydrophobicContact CG-CG2 4.47Å; T133-V172 PolarHBondContact O-N 3.06Å; V134-V172 CarbonylContact C-O 3.59Å; V134-V172 WeakPolarHBondContact CA-O 3.36Å; V134-V172 HydrophobicContact CG1-CG2 4.41Å; V134-V172 HydrophobicContact CG2-CG2 4.04Å; I135-V172 PolarHBondContact N-O 3.4Å; V172-D176 HydrophobicContact CB-CB 4.13Å; V172-I177 HydrophobicContact CG2-CG2 3.74Å
173	R	90.5	Very high	87.5	Confident	110 Å²	110	87.6 Å²	87.6	42%	0.415	46%	0.457	S	S	.	.			trans	-96.3	163.6	172	-66.9	-174.7	167.6	-95.8	-10	111.3	E136 E175 D176	E136-R173 IonicContact OE2-CZ 3.23Å; E136-R173 IonicContact OE2-NH1 2.63Å; E136-R173 PolarHBondContact OE2-NH1 3.12Å; E136-R173 IonicContact OE2-NH2 3.73Å; R173-E175 HydrophobicContact CB-CG 4.07Å; R173-E175 WeakPolarHBondContact CB-OE2 3.38Å; R173-E175 WeakPolarHBondContact CD-OE1 3.45Å; R173-E175 PolarHBondContact O-N 3.01Å; R173-D176 PolarHBondContact N-OD2 3.22Å; R173-D176 WeakPolarHBondContact O-CB 3.39Å; R173-D176 PolarHBondContact O-N 3.2Å
174	P	87.4	Confident	87	Confident	40 Å²	40	87.3 Å²	87.3	26%	0.26	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-60	-28.6	179.4	-25.4	37.2	0	0	0	113.6	V134 I135 Y137 D176 I177	V134-P174 HydrophobicContact CG1-CG 4.02Å; I135-P174 WeakPolarHBondContact O-CD 2.79Å; Y137-P174 HydrophobicContact CD2-CB 4.4Å; Y137-P174 HydrophobicContact CD2-CG 4.28Å; P174-D176 PolarHBondContact O-N 2.55Å; P174-I177 WeakPolarHBondContact O-CG1 3.32Å
175	E	87.3	Confident	86.6	Confident	126 Å²	126	92.8 Å²	92.8	59%	0.589	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-69.9	-15.5	174.2	57.7	-95.6	-144.9	0	0	114.4	R173	R173-E175 HydrophobicContact CB-CG 4.07Å; R173-E175 WeakPolarHBondContact CB-OE2 3.38Å; R173-E175 WeakPolarHBondContact CD-OE1 3.45Å; R173-E175 PolarHBondContact O-N 3.01Å
176	D	83.2	Confident	86	Confident	103 Å²	103	96.8 Å²	96.8	55%	0.551	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-92.9	-1.7	-176.9	-59.2	-48.6	0	0	0	113.3	V172 R173 P174	V172-D176 HydrophobicContact CB-CB 4.13Å; R173-D176 PolarHBondContact N-OD2 3.22Å; R173-D176 WeakPolarHBondContact O-CB 3.39Å; R173-D176 PolarHBondContact O-N 3.2Å; P174-D176 PolarHBondContact O-N 2.55Å
177	I	79.8	Confident	85.2	Confident	50 Å²	50	97.3 Å²	97.3	26%	0.256	51%	0.506	S	S	.	.			trans	-109.1	-0.7	-173.2	56.7	163.2	0	0	0	114.4	F111 V134 Y137 V172 P174	F111-I177 HydrophobicContact CE1-CD1 4.15Å; F111-I177 HydrophobicContact CE2-CD1 4.37Å; F111-I177 HydrophobicContact CZ-CD1 3.65Å; V134-I177 HydrophobicContact CG1-CD1 4.44Å; V134-I177 HydrophobicContact CG2-CG2 4.5Å; Y137-I177 HydrophobicContact CD2-CD1 4.37Å; Y137-I177 HydrophobicContact CE2-CD1 3.99Å; V172-I177 HydrophobicContact CG2-CG2 3.74Å; P174-I177 WeakPolarHBondContact O-CG1 3.32Å
178	E	58.2	Low	84.5	Confident	247 Å²	247	98.5 Å²	98.5	100%	1.154	50%	0.503	S	S	*	.			trans	-81.7	0	176.6	-70.1	-168.8	161.7	0	0	114.7

Retrieved 178 of 178 residues in 36.2 ms (Link to these results)

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