A0A060X3Z3_ONCMY Loading...

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 A0A060X3Z3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene NAA20, Length 178 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	82.1	Confident	95.7	Very high	198 Å²	198	68.9 Å²	68.9	98%	0.975	39%	0.387	S	S	*	.				0	135.7	0	-170.3	178.4	-72.3	0	0	108	P49	M1-P49 VanDerWaalsContact N-CG 3.3Å; M1-P49 WeakPolarHBondContact O-CG 3.41Å
2	T	94.8	Very high	95.7	Very high	54 Å²	54	65.1 Å²	65.1	33%	0.331	37%	0.365	S	S	.	.			trans	-68.8	137	174.4	-62.1	0	0	0	0	110.1	A46 E47 M54 L88	T2-A46 HydrophobicContact CG2-CB 4.02Å; T2-E47 WeakPolarHBondContact CA-O 3.28Å; T2-M54 HydrophobicContact CG2-SD 3.53Å; T2-M54 VanDerWaalsContact CG2-SD 3.53Å; T2-M54 WeakPolarHBondContact OG1-CE 3.47Å; T2-M54 PolarHBondContact OG1-SD 3.39Å; T2-L88 HydrophobicContact CG2-CD2 3.91Å
3	T	97.1	Very high	95.7	Very high	78 Å²	78	72.2 Å²	72.2	48%	0.479	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	127.9	176.2	-56.6	0	0	0	0	109.2	A46 E47	T3-A46 WeakPolarHBondContact O-CA 3.39Å; T3-E47 PolarHBondContact N-O 3.18Å; T3-E47 PolarHBondContact O-N 3.49Å
4	L	97.8	Very high	95.7	Very high	60 Å²	60	75.6 Å²	75.6	31%	0.314	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.7	169.5	-60.8	175.7	0	0	0	108.6	I44 V45 A46 K91 L92 M95	L4-I44 HydrophobicContact CB-CG2 4.49Å; L4-V45 WeakPolarHBondContact CA-O 3.5Å; L4-A46 HydrophobicContact CD2-CB 3.7Å; L4-K91 HydrophobicContact CD1-CG 3.68Å; L4-L92 HydrophobicContact CD2-CD2 4.01Å; L4-M95 HydrophobicContact CD1-CG 4.45Å
5	R	97.4	Very high	95.6	Very high	69 Å²	69	71.3 Å²	71.3	26%	0.26	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	169.5	178.6	60.9	167.6	179.5	80.4	-1.6	111	D11 I44 V45 E47	R5-D11 IonicContact CZ-OD1 3.83Å; R5-D11 IonicContact CZ-OD2 3.89Å; R5-D11 IonicContact NH1-OD1 2.68Å; R5-D11 IonicContact NH1-OD2 3.42Å; R5-D11 PolarHBondContact NH1-OD2 2.7Å; R5-D11 IonicContact NH2-OD1 3.43Å; R5-D11 PolarHBondContact NH2-OD1 2.89Å; R5-D11 IonicContact NH2-OD2 3.1Å; R5-D11 PolarHBondContact NH2-OD2 3.39Å; R5-I44 WeakPolarHBondContact O-CA 3.14Å; R5-I44 WeakPolarHBondContact O-CG2 3.15Å; R5-V45 HydrophobicContact CG-CG1 3.73Å; R5-V45 PolarHBondContact N-O 3.21Å; R5-V45 PolarHBondContact O-N 3.27Å; R5-E47 IonicContact CZ-OE2 3.23Å; R5-E47 IonicContact NE-OE2 3.74Å; R5-E47 PolarHBondContact NE-OE2 3.27Å; R5-E47 IonicContact NH2-OE2 3.46Å; R5-E47 PolarHBondContact NH2-OE2 3.1Å
6	A	97.9	Very high	95.4	Very high	58 Å²	58	72.8 Å²	72.8	48%	0.479	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	142.3	170.1	0	0	0	0	0	110.6
7	F	98.3	Very high	95.4	Very high	7 Å²	7	70.6 Å²	70.6	3%	0.031	37%	0.373	C	S	.	.			trans	-69.6	138	169.7	-166.7	-80.7	0	0	0	109.3	D11 L12 L36 F43 V45	F7-D11 HydrophobicContact CD1-CB 4.09Å; F7-D11 HydrophobicContact CD2-CB 4.04Å; F7-D11 HydrophobicContact CE1-CB 3.71Å; F7-D11 HydrophobicContact CE2-CB 3.64Å; 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 3.79Å; F7-L12 HydrophobicContact CE1-CG 3.98Å; F7-L12 HydrophobicContact CZ-CD2 3.94Å; F7-L12 HydrophobicContact CZ-CG 4.38Å; F7-L36 HydrophobicContact CB-CD2 4.46Å; F7-L36 HydrophobicContact CD1-CD1 4.31Å; F7-L36 HydrophobicContact CD1-CD2 4.16Å; F7-L36 VanDerWaalsContact O-CD2 3.27Å; F7-L36 WeakPolarHBondContact O-CD2 3.48Å; F7-F43 HydrophobicContact CB-CB 4.19Å; F7-F43 HydrophobicContact CB-CD1 4.08Å; F7-F43 HydrophobicContact CB-CD2 3.32Å; F7-F43 HydrophobicContact CB-CE1 4.31Å; F7-F43 HydrophobicContact CB-CE2 3.63Å; F7-F43 HydrophobicContact CB-CG 3.59Å; F7-F43 HydrophobicContact CB-CZ 4.11Å; F7-F43 HydrophobicContact CD1-CD1 4.14Å; F7-F43 HydrophobicContact CD1-CD2 4.3Å; F7-F43 AromaticContact CD1-CE1 3.64Å; F7-F43 HydrophobicContact CD1-CE1 3.64Å; F7-F43 AromaticContact CD1-CE2 3.84Å; F7-F43 HydrophobicContact CD1-CE2 3.84Å; F7-F43 HydrophobicContact CD1-CG 4.45Å; F7-F43 AromaticContact CD1-CZ 3.47Å; F7-F43 HydrophobicContact CD1-CZ 3.47Å; F7-F43 VanDerWaalsContact CD1-CZ 3.47Å; F7-F43 AromaticContact CD2-CD2 3.92Å; F7-F43 HydrophobicContact CD2-CD2 3.92Å; F7-F43 AromaticContact CD2-CE2 3.3Å; F7-F43 HydrophobicContact CD2-CE2 3.3Å; F7-F43 AromaticContact CD2-CZ 3.7Å; F7-F43 HydrophobicContact CD2-CZ 3.7Å; F7-F43 HydrophobicContact CE1-CE1 4.04Å; F7-F43 HydrophobicContact CE1-CE2 4.3Å; F7-F43 AromaticContact CE1-CZ 3.68Å; F7-F43 HydrophobicContact CE1-CZ 3.68Å; F7-F43 AromaticContact CE2-CE2 3.85Å; F7-F43 HydrophobicContact CE2-CE2 3.85Å; F7-F43 AromaticContact CE2-CZ 3.91Å; F7-F43 HydrophobicContact CE2-CZ 3.91Å; F7-F43 HydrophobicContact CG-CD1 4.23Å; F7-F43 AromaticContact CG-CD2 3.62Å; F7-F43 HydrophobicContact CG-CD2 3.62Å; F7-F43 AromaticContact CG-CE1 3.95Å; F7-F43 HydrophobicContact CG-CE1 3.95Å; F7-F43 AromaticContact CG-CE2 3.31Å; F7-F43 HydrophobicContact CG-CE2 3.31Å; F7-F43 HydrophobicContact CG-CG 4.08Å; F7-F43 AromaticContact CG-CZ 3.49Å; F7-F43 HydrophobicContact CG-CZ 3.49Å; F7-F43 VanDerWaalsContact CG-CZ 3.49Å; F7-F43 HydrophobicContact CZ-CE2 4.32Å; F7-F43 AromaticContact CZ-CZ 3.9Å; F7-F43 HydrophobicContact CZ-CZ 3.9Å; F7-F43 PolarHBondContact N-O 3.32Å; F7-V45 HydrophobicContact CD2-CB 4.03Å; F7-V45 HydrophobicContact CD2-CG2 4.33Å
8	T	97.5	Very high	95.5	Very high	59 Å²	59	66.7 Å²	66.7	36%	0.362	35%	0.353	S	S	.	.			trans	-117.6	163	177.4	72.6	0	0	0	0	111	D10 D11	T8-D10 PolarHBondContact O-N 2.79Å; T8-D11 PolarHBondContact N-OD2 2.91Å; T8-D11 WeakPolarHBondContact O-CB 3.31Å; T8-D11 PolarHBondContact O-N 3.34Å; T8-D11 PolarHBondContact OG1-OD2 3.22Å
9	C	96	Very high	95.4	Very high	67 Å²	67	63.7 Å²	63.7	45%	0.453	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-57.3	-33.1	178.9	-62.8	0	0	0	0	113	D11 L12	C9-D11 PolarHBondContact O-N 3.03Å; C9-L12 VanDerWaalsContact O-CB 3.28Å; C9-L12 WeakPolarHBondContact O-CB 3.45Å; C9-L12 WeakPolarHBondContact O-CG 3.27Å; C9-L12 PolarHBondContact O-N 2.68Å
10	D	96.6	Very high	95.3	Very high	107 Å²	107	67.9 Å²	67.9	57%	0.572	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-66.8	-23.1	178.6	-62.7	-70.9	0	0	0	113.2	T8 L12 F13	T8-D10 PolarHBondContact O-N 2.79Å; D10-L12 PolarHBondContact O-N 2.8Å; D10-F13 PolarHBondContact O-N 3.44Å
11	D	97.3	Very high	95	Very high	1 Å²	1	65.6 Å²	65.6	1%	0.005	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-68.7	-20.5	177	-64.9	-39.5	0	0	0	111.9	R5 F7 T8 C9 F13 K14 F15 L53	R5-D11 IonicContact CZ-OD1 3.83Å; R5-D11 IonicContact CZ-OD2 3.89Å; R5-D11 IonicContact NH1-OD1 2.68Å; R5-D11 IonicContact NH1-OD2 3.42Å; R5-D11 PolarHBondContact NH1-OD2 2.7Å; R5-D11 IonicContact NH2-OD1 3.43Å; R5-D11 PolarHBondContact NH2-OD1 2.89Å; R5-D11 IonicContact NH2-OD2 3.1Å; R5-D11 PolarHBondContact NH2-OD2 3.39Å; F7-D11 HydrophobicContact CD1-CB 4.09Å; F7-D11 HydrophobicContact CD2-CB 4.04Å; F7-D11 HydrophobicContact CE1-CB 3.71Å; F7-D11 HydrophobicContact CE2-CB 3.64Å; 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 2.91Å; T8-D11 WeakPolarHBondContact O-CB 3.31Å; T8-D11 PolarHBondContact O-N 3.34Å; T8-D11 PolarHBondContact OG1-OD2 3.22Å; C9-D11 PolarHBondContact O-N 3.03Å; D11-F13 PolarHBondContact O-N 2.94Å; D11-K14 PolarHBondContact O-N 2.84Å; D11-F15 WeakPolarHBondContact O-CD1 3.36Å; D11-F15 PolarHBondContact O-N 3Å; D11-F15 VanDerWaalsContact O-N 3.17Å; D11-L53 HydrophobicContact CB-CD1 3.86Å
12	L	95.8	Very high	95.3	Very high	23 Å²	23	62 Å²	62	12%	0.12	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-61.1	-13.1	172.1	-63.7	174.6	0	0	0	113.2	F7 C9 D10 F15 Y32 L33	F7-L12 HydrophobicContact CE1-CD2 3.79Å; F7-L12 HydrophobicContact CE1-CG 3.98Å; F7-L12 HydrophobicContact CZ-CD2 3.94Å; F7-L12 HydrophobicContact CZ-CG 4.38Å; C9-L12 VanDerWaalsContact O-CB 3.28Å; C9-L12 WeakPolarHBondContact O-CB 3.45Å; C9-L12 WeakPolarHBondContact O-CG 3.27Å; C9-L12 PolarHBondContact O-N 2.68Å; D10-L12 PolarHBondContact O-N 2.8Å; L12-F15 HydrophobicContact CB-CE1 4.31Å; L12-F15 HydrophobicContact CD2-CE1 4.19Å; L12-F15 HydrophobicContact CD2-CZ 4.27Å; L12-F15 WeakPolarHBondContact O-CD1 3.38Å; L12-F15 WeakPolarHBondContact O-CE1 3.47Å; L12-Y32 HydrophobicContact CD2-CD1 4.25Å; L12-Y32 HydrophobicContact CD2-CD2 3.72Å; L12-Y32 HydrophobicContact CD2-CE2 4.37Å; L12-Y32 HydrophobicContact CD2-CG 3.65Å; L12-L33 HydrophobicContact CD1-CD2 4.25Å
13	F	95.4	Very high	95.1	Very high	158 Å²	158	63.2 Å²	63.2	69%	0.693	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-100.9	0.3	174.8	-56.6	-70.2	0	0	0	113.2	D10 D11	D10-F13 PolarHBondContact O-N 3.44Å; D11-F13 PolarHBondContact O-N 2.94Å
14	K	95.8	Very high	94.8	Very high	120 Å²	120	60.2 Å²	60.2	52%	0.522	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	-20.1	-169.3	-60.9	178.6	-173.7	171.5	0	114.4	D11 N16 N17 L53	D11-K14 PolarHBondContact O-N 2.84Å; K14-N16 PolarHBondContact O-N 3.4Å; K14-N16 VanDerWaalsContact O-N 3.17Å; K14-N17 PolarHBondContact O-OD1 2.98Å; K14-L53 HydrophobicContact CB-CD1 3.87Å; K14-L53 HydrophobicContact CB-CG 4.24Å
15	F	93.5	Very high	94.4	Very high	10 Å²	10	61.1 Å²	61.1	4%	0.044	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	10.9	-174.3	76.7	-57.5	0	0	0	115.6	D11 L12 N17 I18 N19 Y32 L53 Y56	D11-F15 WeakPolarHBondContact O-CD1 3.36Å; D11-F15 PolarHBondContact O-N 3Å; D11-F15 VanDerWaalsContact O-N 3.17Å; L12-F15 HydrophobicContact CB-CE1 4.31Å; L12-F15 HydrophobicContact CD2-CE1 4.19Å; L12-F15 HydrophobicContact CD2-CZ 4.27Å; L12-F15 WeakPolarHBondContact O-CD1 3.38Å; L12-F15 WeakPolarHBondContact O-CE1 3.47Å; F15-N17 VanDerWaalsContact C-N 3.31Å; F15-N17 PolarHBondContact O-N 2.98Å; F15-I18 HydrophobicContact CB-CD1 4.33Å; F15-I18 WeakPolarHBondContact O-CA 3.34Å; F15-I18 WeakPolarHBondContact O-CB 3.35Å; F15-I18 PolarHBondContact O-N 3.29Å; F15-N19 HydrophobicContact CD2-CB 4.12Å; F15-N19 VanDerWaalsContact CD2-CG 3.42Å; F15-N19 WeakPolarHBondContact CD2-OD1 3.08Å; F15-N19 HydrophobicContact CE2-CB 4.11Å; F15-N19 VanDerWaalsContact CE2-ND2 3.28Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.45Å; F15-N19 WeakPolarHBondContact CE2-OD1 3.01Å; F15-N19 PolarHBondContact O-N 3.25Å; F15-Y32 HydrophobicContact CE2-CE1 4.37Å; F15-Y32 HydrophobicContact CE2-CE2 4.2Å; F15-Y32 AromaticContact CE2-CZ 3.78Å; F15-Y32 WeakPolarHBondContact CE2-OH 3.32Å; F15-Y32 AromaticContact CZ-CE2 3.9Å; F15-Y32 HydrophobicContact CZ-CE2 3.9Å; F15-Y32 AromaticContact CZ-CZ 3.96Å; F15-L53 HydrophobicContact CB-CD1 4.07Å; F15-Y56 AromaticContact CD2-CE1 3.89Å; F15-Y56 HydrophobicContact CD2-CE1 3.89Å
16	N	93.3	Very high	94.1	Very high	95 Å²	95	62 Å²	62	51%	0.508	34%	0.339	S	S	.	.	H	α-helix	trans	-60.7	-36.9	-177.1	-68.4	-29.5	0	0	0	112.9	K14 I18 N19 L20	K14-N16 PolarHBondContact O-N 3.4Å; K14-N16 VanDerWaalsContact O-N 3.17Å; N16-I18 PolarHBondContact O-N 3.03Å; N16-N19 PolarHBondContact O-N 3.17Å; N16-L20 WeakPolarHBondContact O-CB 3.46Å; N16-L20 WeakPolarHBondContact O-CD1 3.01Å; N16-L20 WeakPolarHBondContact O-CG 3.46Å; N16-L20 PolarHBondContact O-N 2.99Å
17	N	94.9	Very high	93.9	Very high	37 Å²	37	62.7 Å²	62.7	20%	0.198	33%	0.33	C	S	.	.	H	α-helix	trans	-62.5	-26.8	176	67.1	-40.4	0	0	0	112.5	K14 F15 L53 E82	K14-N17 PolarHBondContact O-OD1 2.98Å; F15-N17 VanDerWaalsContact C-N 3.31Å; F15-N17 PolarHBondContact O-N 2.98Å; N17-L53 PolarHBondContact ND2-O 3.43Å; N17-E82 PolarHBondContact ND2-OE1 3.45Å
18	I	96.6	Very high	93.7	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-82.2	-46.4	175.9	-57.8	160.6	0	0	0	110.2	F15 N16 L20 D21 L53 Y56 A80	F15-I18 HydrophobicContact CB-CD1 4.33Å; F15-I18 WeakPolarHBondContact O-CA 3.34Å; F15-I18 WeakPolarHBondContact O-CB 3.35Å; F15-I18 PolarHBondContact O-N 3.29Å; N16-I18 PolarHBondContact O-N 3.03Å; I18-L20 PolarHBondContact O-N 2.92Å; I18-D21 PolarHBondContact O-N 3.05Å; I18-L53 HydrophobicContact CD1-CB 3.69Å; I18-Y56 HydrophobicContact CB-CE1 4.42Å; I18-Y56 HydrophobicContact CD1-CD1 4.1Å; I18-Y56 HydrophobicContact CG2-CD1 3.92Å; I18-Y56 HydrophobicContact CG2-CE1 3.72Å; I18-A80 HydrophobicContact CG1-CB 3.88Å
19	N	94.9	Very high	93.6	Very high	10 Å²	10	66.9 Å²	66.9	5%	0.053	36%	0.36	C	S	.	.	H	α-helix	trans	-82.2	-8.9	-172	-91	52.8	0	0	0	115.9	F15 N16 D21 T24 E25 T26 Y32 Y56	F15-N19 HydrophobicContact CD2-CB 4.12Å; F15-N19 VanDerWaalsContact CD2-CG 3.42Å; F15-N19 WeakPolarHBondContact CD2-OD1 3.08Å; F15-N19 HydrophobicContact CE2-CB 4.11Å; F15-N19 VanDerWaalsContact CE2-ND2 3.28Å; F15-N19 WeakPolarHBondContact CE2-ND2 3.45Å; F15-N19 WeakPolarHBondContact CE2-OD1 3.01Å; F15-N19 PolarHBondContact O-N 3.25Å; N16-N19 PolarHBondContact O-N 3.17Å; N19-D21 PolarHBondContact O-N 3.49Å; N19-T24 HydrophobicContact CB-CG2 4.38Å; N19-E25 PolarHBondContact ND2-O 3.04Å; N19-T26 PolarHBondContact ND2-OG1 3.28Å; N19-Y32 PolarHBondContact ND2-OH 2.85Å; N19-Y56 VanDerWaalsContact OD1-CE1 3.27Å; N19-Y56 WeakPolarHBondContact OD1-CE1 3.32Å; N19-Y56 PolarHBondContact OD1-OH 3.39Å; N19-Y56 VanDerWaalsContact OD1-OH 3.07Å
20	L	92.5	Very high	93.7	Very high	147 Å²	147	68.5 Å²	68.5	77%	0.77	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-1.2	171.2	-73.2	171	0	0	0	113.1	N16 I18	N16-L20 WeakPolarHBondContact O-CB 3.46Å; N16-L20 WeakPolarHBondContact O-CD1 3.01Å; N16-L20 WeakPolarHBondContact O-CG 3.46Å; N16-L20 PolarHBondContact O-N 2.99Å; I18-L20 PolarHBondContact O-N 2.92Å
21	D	90.3	Very high	93.7	Very high	20 Å²	20	66.4 Å²	66.4	11%	0.107	36%	0.356	C	S	.	.	S	Bend	trans	-69.8	132.5	171.7	-178.1	-86.5	0	0	0	111	I18 N19 L23 T24 R84	I18-D21 PolarHBondContact O-N 3.05Å; N19-D21 PolarHBondContact O-N 3.49Å; D21-L23 PolarHBondContact O-N 3.19Å; D21-L23 WeakPolarHBondContact OD1-CA 3.49Å; D21-L23 WeakPolarHBondContact OD1-CB 3.45Å; D21-L23 PolarHBondContact OD1-N 3.17Å; D21-T24 PolarHBondContact O-N 2.94Å; D21-R84 VanDerWaalsContact CG-NH2 3.26Å; D21-R84 IonicContact OD1-NH2 2.6Å; D21-R84 IonicContact OD2-CZ 2.79Å; D21-R84 VanDerWaalsContact OD2-CZ 3.29Å; D21-R84 IonicContact OD2-NH1 2.67Å; D21-R84 PolarHBondContact OD2-NH1 3.43Å; D21-R84 IonicContact OD2-NH2 2.84Å; D21-R84 PolarHBondContact OD2-NH2 2.93Å
22	P	88.3	Confident	93.8	Very high	122 Å²	122	66.5 Å²	66.5	79%	0.792	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.7	-176.2	-25.5	34.1	0	0	0	115.7
23	L	89.9	Confident	93.8	Very high	80 Å²	80	69 Å²	69	42%	0.419	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	3.7	-179.5	-58.4	172.1	0	0	0	112	D21 N116	D21-L23 PolarHBondContact O-N 3.19Å; D21-L23 WeakPolarHBondContact OD1-CA 3.49Å; D21-L23 WeakPolarHBondContact OD1-CB 3.45Å; D21-L23 PolarHBondContact OD1-N 3.17Å; L23-N116 HydrophobicContact CD1-CB 4.33Å
24	T	90.9	Very high	94	Very high	15 Å²	15	65.8 Å²	65.8	9%	0.092	36%	0.357	C	S	.	.	S	Bend	trans	-102.6	114.3	176.1	-59.8	0	0	0	0	110.1	N19 D21 S78	N19-T24 HydrophobicContact CB-CG2 4.38Å; D21-T24 PolarHBondContact O-N 2.94Å; T24-S78 WeakPolarHBondContact CG2-OG 3.48Å; T24-S78 WeakPolarHBondContact OG1-CB 3.46Å; T24-S78 PolarHBondContact OG1-OG 2.96Å
25	E	88.8	Confident	94.1	Very high	78 Å²	78	60.6 Å²	60.6	36%	0.364	33%	0.334	S	S	.	.			trans	-71.8	135	175.2	-63.7	-61.1	160.2	0	0	110.9	N19 Y27 R113	N19-E25 PolarHBondContact ND2-O 3.04Å; E25-Y27 HydrophobicContact CB-CE1 4.27Å; E25-Y27 HydrophobicContact CB-CE2 4.11Å; E25-R113 IonicContact OE1-CZ 3.63Å; E25-R113 IonicContact OE1-NH2 2.92Å; E25-R113 PolarHBondContact OE1-NH2 3.37Å
26	T	92.3	Very high	94.3	Very high	88 Å²	88	61.4 Å²	61.4	54%	0.54	34%	0.338	S	S	.	.			trans	-102.2	98.9	172.7	-59.1	0	0	0	0	109.6	N19	N19-T26 PolarHBondContact ND2-OG1 3.28Å
27	Y	92.9	Very high	94.5	Very high	72 Å²	72	60.5 Å²	60.5	28%	0.282	34%	0.344	S	S	.	.			trans	-70.9	160.7	177.9	-54.7	-80.1	0	0	0	112.4	E25 F31 Y32 M58 A76	E25-Y27 HydrophobicContact CB-CE1 4.27Å; E25-Y27 HydrophobicContact CB-CE2 4.11Å; Y27-F31 AromaticContact CD1-CD1 3.77Å; Y27-F31 HydrophobicContact CD1-CD1 3.77Å; Y27-F31 AromaticContact CD1-CE1 3.73Å; Y27-F31 HydrophobicContact CD1-CE1 3.73Å; Y27-F31 HydrophobicContact CD1-CG 4.29Å; Y27-F31 HydrophobicContact CD1-CZ 4.25Å; Y27-F31 AromaticContact CD2-CD1 3.88Å; Y27-F31 HydrophobicContact CD2-CD1 3.88Å; Y27-F31 AromaticContact CD2-CE1 3.9Å; Y27-F31 HydrophobicContact CD2-CE1 3.9Å; Y27-F31 HydrophobicContact CE1-CD1 4.47Å; Y27-F31 AromaticContact CE1-CE1 3.97Å; Y27-F31 HydrophobicContact CE1-CE1 3.97Å; Y27-F31 HydrophobicContact CE1-CZ 4.29Å; Y27-F31 HydrophobicContact CE2-CE1 4.14Å; Y27-F31 AromaticContact CG-CD1 3.43Å; Y27-F31 HydrophobicContact CG-CD1 3.43Å; Y27-F31 VanDerWaalsContact CG-CD1 3.43Å; Y27-F31 AromaticContact CG-CE1 3.69Å; Y27-F31 HydrophobicContact CG-CE1 3.69Å; Y27-F31 HydrophobicContact CG-CG 4.18Å; Y27-Y32 HydrophobicContact CD2-CE1 4.12Å; Y27-Y32 AromaticContact CD2-CZ 3.99Å; Y27-Y32 PolarHBondContact N-OH 2.83Å; Y27-Y32 WeakPolarHBondContact O-CE2 3.44Å; Y27-M58 HydrophobicContact CD2-CE 4.17Å; Y27-M58 HydrophobicContact CE2-CE 4.16Å; Y27-A76 HydrophobicContact CE2-CB 4.3Å
28	G	94.8	Very high	94.6	Very high	47 Å²	47	64.3 Å²	64.3	49%	0.485	36%	0.361	S	S	.	.			trans	-67.1	153.3	171.3	0	0	0	0	0	112.1	P30 F31	G28-P30 VanDerWaalsContact C-N 3.31Å; G28-F31 WeakPolarHBondContact O-CB 3.47Å; G28-F31 PolarHBondContact O-N 3.29Å
29	I	95.8	Very high	94.7	Very high	107 Å²	107	66.7 Å²	66.7	55%	0.549	37%	0.37	S	S	.	.	H	α-helix	trans	-48.1	-43.9	177.6	-64.9	173.3	0	0	0	113.3	F31 Y32 L33	I29-F31 PolarHBondContact O-N 3.19Å; I29-Y32 PolarHBondContact O-N 2.87Å; I29-L33 HydrophobicContact CG2-CD1 3.66Å; I29-L33 HydrophobicContact CG2-CG 3.96Å; I29-L33 WeakPolarHBondContact O-CG 3.45Å; I29-L33 PolarHBondContact O-N 2.77Å
30	P	97.5	Very high	94.8	Very high	102 Å²	102	69.1 Å²	69.1	66%	0.662	39%	0.386	S	S	*	.	H	α-helix	trans	-57.3	-34	179.5	-26.1	35.8	0	0	0	113.7	G28 Q34	G28-P30 VanDerWaalsContact C-N 3.31Å; P30-Q34 WeakPolarHBondContact O-CB 3.41Å; P30-Q34 PolarHBondContact O-N 2.99Å
31	F	96.9	Very high	95.1	Very high	62 Å²	62	65.8 Å²	65.8	27%	0.272	37%	0.367	S	S	.	.	H	α-helix	trans	-68.1	-50.2	-179.9	-169	-100.3	0	0	0	110.9	Y27 G28 I29 L33 Q34 Y35 M58 T75	Y27-F31 AromaticContact CD1-CD1 3.77Å; Y27-F31 HydrophobicContact CD1-CD1 3.77Å; Y27-F31 AromaticContact CD1-CE1 3.73Å; Y27-F31 HydrophobicContact CD1-CE1 3.73Å; Y27-F31 HydrophobicContact CD1-CG 4.29Å; Y27-F31 HydrophobicContact CD1-CZ 4.25Å; Y27-F31 AromaticContact CD2-CD1 3.88Å; Y27-F31 HydrophobicContact CD2-CD1 3.88Å; Y27-F31 AromaticContact CD2-CE1 3.9Å; Y27-F31 HydrophobicContact CD2-CE1 3.9Å; Y27-F31 HydrophobicContact CE1-CD1 4.47Å; Y27-F31 AromaticContact CE1-CE1 3.97Å; Y27-F31 HydrophobicContact CE1-CE1 3.97Å; Y27-F31 HydrophobicContact CE1-CZ 4.29Å; Y27-F31 HydrophobicContact CE2-CE1 4.14Å; Y27-F31 AromaticContact CG-CD1 3.43Å; Y27-F31 HydrophobicContact CG-CD1 3.43Å; Y27-F31 VanDerWaalsContact CG-CD1 3.43Å; Y27-F31 AromaticContact CG-CE1 3.69Å; Y27-F31 HydrophobicContact CG-CE1 3.69Å; Y27-F31 HydrophobicContact CG-CG 4.18Å; G28-F31 WeakPolarHBondContact O-CB 3.47Å; G28-F31 PolarHBondContact O-N 3.29Å; I29-F31 PolarHBondContact O-N 3.19Å; F31-L33 VanDerWaalsContact C-N 3.32Å; F31-L33 PolarHBondContact O-N 2.8Å; F31-Q34 WeakPolarHBondContact O-CB 3.43Å; F31-Q34 PolarHBondContact O-N 3.42Å; F31-Y35 HydrophobicContact CD1-CD2 4.26Å; F31-Y35 HydrophobicContact CD1-CE2 4.14Å; F31-Y35 HydrophobicContact CD2-CE2 4.33Å; F31-Y35 HydrophobicContact CE1-CD2 4.13Å; F31-Y35 AromaticContact CE1-CE2 3.62Å; F31-Y35 HydrophobicContact CE1-CE2 3.62Å; F31-Y35 AromaticContact CE2-CE2 3.82Å; F31-Y35 HydrophobicContact CE2-CE2 3.82Å; F31-Y35 HydrophobicContact CG-CE2 4.49Å; F31-Y35 HydrophobicContact CZ-CD2 4.35Å; F31-Y35 AromaticContact CZ-CE2 3.45Å; F31-Y35 HydrophobicContact CZ-CE2 3.45Å; F31-Y35 VanDerWaalsContact CZ-CE2 3.45Å; F31-Y35 WeakPolarHBondContact O-CD2 3.25Å; F31-Y35 PolarHBondContact O-N 2.97Å; F31-M58 HydrophobicContact CD1-CE 4Å; F31-M58 HydrophobicContact CE1-CE 3.56Å; F31-T75 HydrophobicContact CE1-CG2 3.77Å; F31-T75 HydrophobicContact CZ-CG2 3.79Å
32	Y	97.7	Very high	95.4	Very high	4 Å²	4	64.9 Å²	64.9	2%	0.016	36%	0.362	C	S	.	.	H	α-helix	trans	-59.6	-42.4	175.8	-66.9	-65.6	0	0	0	112.5	L12 F15 N19 Y27 I29 Q34 Y35 L36 F43 M58	L12-Y32 HydrophobicContact CD2-CD1 4.25Å; L12-Y32 HydrophobicContact CD2-CD2 3.72Å; L12-Y32 HydrophobicContact CD2-CE2 4.37Å; L12-Y32 HydrophobicContact CD2-CG 3.65Å; F15-Y32 HydrophobicContact CE2-CE1 4.37Å; F15-Y32 HydrophobicContact CE2-CE2 4.2Å; F15-Y32 AromaticContact CE2-CZ 3.78Å; F15-Y32 WeakPolarHBondContact CE2-OH 3.32Å; F15-Y32 AromaticContact CZ-CE2 3.9Å; F15-Y32 HydrophobicContact CZ-CE2 3.9Å; F15-Y32 AromaticContact CZ-CZ 3.96Å; N19-Y32 PolarHBondContact ND2-OH 2.85Å; Y27-Y32 HydrophobicContact CD2-CE1 4.12Å; Y27-Y32 AromaticContact CD2-CZ 3.99Å; Y27-Y32 PolarHBondContact N-OH 2.83Å; Y27-Y32 WeakPolarHBondContact O-CE2 3.44Å; I29-Y32 PolarHBondContact O-N 2.87Å; Y32-Q34 VanDerWaalsContact C-N 3.32Å; Y32-Q34 PolarHBondContact O-N 2.6Å; Y32-Y35 PolarHBondContact O-N 3.28Å; Y32-L36 WeakPolarHBondContact O-CG 3.36Å; Y32-L36 PolarHBondContact O-N 2.86Å; Y32-F43 HydrophobicContact CD1-CE1 4.23Å; Y32-F43 HydrophobicContact CD1-CZ 4.03Å; Y32-M58 HydrophobicContact CD1-CE 4.38Å; Y32-M58 HydrophobicContact CD1-SD 3.78Å; Y32-M58 HydrophobicContact CE1-CE 4.29Å; Y32-M58 HydrophobicContact CE1-SD 4.17Å
33	L	97.6	Very high	95.9	Very high	74 Å²	74	59.1 Å²	59.1	39%	0.387	32%	0.324	S	S	.	.	H	α-helix	trans	-66.2	-34.5	178.7	-66.5	-177.3	0	0	0	112.3	L12 I29 F31 L36 A37	L12-L33 HydrophobicContact CD1-CD2 4.25Å; I29-L33 HydrophobicContact CG2-CD1 3.66Å; I29-L33 HydrophobicContact CG2-CG 3.96Å; I29-L33 WeakPolarHBondContact O-CG 3.45Å; I29-L33 PolarHBondContact O-N 2.77Å; F31-L33 VanDerWaalsContact C-N 3.32Å; F31-L33 PolarHBondContact O-N 2.8Å; L33-L36 HydrophobicContact CD2-CD1 4.28Å; L33-L36 PolarHBondContact O-N 2.91Å; L33-A37 WeakPolarHBondContact O-CB 3.12Å; L33-A37 PolarHBondContact O-N 3.26Å
34	Q	97.9	Very high	96.3	Very high	92 Å²	92	55.9 Å²	55.9	43%	0.43	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-45.9	173.9	-177.6	-177.1	5.8	0	0	111.2	P30 F31 Y32 A37 H38	P30-Q34 WeakPolarHBondContact O-CB 3.41Å; P30-Q34 PolarHBondContact O-N 2.99Å; F31-Q34 WeakPolarHBondContact O-CB 3.43Å; F31-Q34 PolarHBondContact O-N 3.42Å; Y32-Q34 VanDerWaalsContact C-N 3.32Å; Y32-Q34 PolarHBondContact O-N 2.6Å; Q34-A37 PolarHBondContact O-N 2.86Å; Q34-H38 PolarHBondContact O-N 3.29Å; Q34-H38 PolarHBondContact O-ND1 3.13Å
35	Y	98.1	Very high	96.7	Very high	10 Å²	10	55.2 Å²	55.2	4%	0.039	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-42.9	178	-84.7	-103.7	0	0	0	112.1	F31 Y32 A37 H38 W39 M58 G59 K60 T75	F31-Y35 HydrophobicContact CD1-CD2 4.26Å; F31-Y35 HydrophobicContact CD1-CE2 4.14Å; F31-Y35 HydrophobicContact CD2-CE2 4.33Å; F31-Y35 HydrophobicContact CE1-CD2 4.13Å; F31-Y35 AromaticContact CE1-CE2 3.62Å; F31-Y35 HydrophobicContact CE1-CE2 3.62Å; F31-Y35 AromaticContact CE2-CE2 3.82Å; F31-Y35 HydrophobicContact CE2-CE2 3.82Å; F31-Y35 HydrophobicContact CG-CE2 4.49Å; F31-Y35 HydrophobicContact CZ-CD2 4.35Å; F31-Y35 AromaticContact CZ-CE2 3.45Å; F31-Y35 HydrophobicContact CZ-CE2 3.45Å; F31-Y35 VanDerWaalsContact CZ-CE2 3.45Å; F31-Y35 WeakPolarHBondContact O-CD2 3.25Å; F31-Y35 PolarHBondContact O-N 2.97Å; Y32-Y35 PolarHBondContact O-N 3.28Å; Y35-A37 PolarHBondContact O-N 3.2Å; Y35-H38 PolarHBondContact O-N 2.86Å; Y35-W39 AromaticContact CD1-CE3 3.93Å; Y35-W39 HydrophobicContact CD1-CE3 3.93Å; Y35-W39 HydrophobicContact CD1-CZ3 4.43Å; Y35-W39 HydrophobicContact CE1-CE3 4.15Å; Y35-W39 HydrophobicContact CE1-CZ3 4.36Å; Y35-W39 HydrophobicContact CG-CE3 4.23Å; Y35-W39 CarbonylContact O-C 3.54Å; Y35-W39 VanDerWaalsContact O-C 3.26Å; Y35-W39 WeakPolarHBondContact O-CA 3.37Å; Y35-W39 PolarHBondContact O-N 3.46Å; Y35-M58 HydrophobicContact CD1-CG 3.58Å; Y35-M58 HydrophobicContact CD1-SD 4.08Å; Y35-M58 HydrophobicContact CD2-SD 4.22Å; Y35-M58 HydrophobicContact CE1-CG 4.21Å; Y35-M58 HydrophobicContact CG-CG 3.9Å; Y35-M58 HydrophobicContact CG-SD 3.8Å; Y35-G59 VanDerWaalsContact CD1-O 3.27Å; Y35-G59 WeakPolarHBondContact CD1-O 3.46Å; Y35-K60 HydrophobicContact CD1-CB 4.46Å; Y35-K60 HydrophobicContact CE1-CB 3.8Å; Y35-K60 HydrophobicContact CE1-CD 4.19Å; Y35-K60 HydrophobicContact CE1-CG 3.99Å; Y35-K60 WeakPolarHBondContact OH-CD 3.4Å; Y35-K60 WeakPolarHBondContact OH-CE 3.34Å; Y35-T75 HydrophobicContact CE1-CG2 4.24Å; Y35-T75 WeakPolarHBondContact CE1-OG1 3.3Å; Y35-T75 HydrophobicContact CE2-CG2 4.47Å; Y35-T75 WeakPolarHBondContact OH-CG2 3.18Å; Y35-T75 PolarHBondContact OH-OG1 3.31Å
36	L	97.6	Very high	97.2	Very high	27 Å²	27	51.5 Å²	51.5	14%	0.141	29%	0.285	C	S	.	.	H	α-helix	trans	-60.1	-32.9	174.2	-75.9	169.2	0	0	0	112.9	F7 Y32 L33 P40 F43	F7-L36 HydrophobicContact CB-CD2 4.46Å; F7-L36 HydrophobicContact CD1-CD1 4.31Å; F7-L36 HydrophobicContact CD1-CD2 4.16Å; F7-L36 VanDerWaalsContact O-CD2 3.27Å; F7-L36 WeakPolarHBondContact O-CD2 3.48Å; Y32-L36 WeakPolarHBondContact O-CG 3.36Å; Y32-L36 PolarHBondContact O-N 2.86Å; L33-L36 HydrophobicContact CD2-CD1 4.28Å; L33-L36 PolarHBondContact O-N 2.91Å; L36-P40 WeakPolarHBondContact O-CB 3.38Å; L36-F43 HydrophobicContact CD1-CE1 4.44Å; L36-F43 HydrophobicContact CD2-CB 4.47Å; L36-F43 HydrophobicContact CD2-CD1 3.56Å; L36-F43 HydrophobicContact CD2-CE1 4.1Å; L36-F43 HydrophobicContact CD2-CG 4.28Å; L36-F43 HydrophobicContact CG-CD1 3.7Å; L36-F43 HydrophobicContact CG-CE1 3.92Å
37	A	97.8	Very high	97.4	Very high	76 Å²	76	49.5 Å²	49.5	63%	0.628	27%	0.27	S	S	*	.	H	α-helix	trans	-79.9	-39.2	179.3	0	0	0	0	0	113.4	L33 Q34 Y35	L33-A37 WeakPolarHBondContact O-CB 3.12Å; L33-A37 PolarHBondContact O-N 3.26Å; Q34-A37 PolarHBondContact O-N 2.86Å; Y35-A37 PolarHBondContact O-N 3.2Å
38	H	97.4	Very high	97.6	Very high	117 Å²	117	46.6 Å²	46.6	54%	0.542	26%	0.261	S	S	.	.	H	α-helix	trans	-96.8	-33.4	-171.7	-67.1	80.5	0	0	0	113.8	Q34 Y35	Q34-H38 PolarHBondContact O-N 3.29Å; Q34-H38 PolarHBondContact O-ND1 3.13Å; Y35-H38 PolarHBondContact O-N 2.86Å
39	W	98.3	Very high	97.6	Very high	50 Å²	50	49.4 Å²	49.4	19%	0.189	27%	0.271	C	S	.	.			trans	-138.4	51.2	-174.4	-55	-74	0	0	0	112.3	Y35 E41 Y42 K60 A61	Y35-W39 AromaticContact CD1-CE3 3.93Å; Y35-W39 HydrophobicContact CD1-CE3 3.93Å; Y35-W39 HydrophobicContact CD1-CZ3 4.43Å; Y35-W39 HydrophobicContact CE1-CE3 4.15Å; Y35-W39 HydrophobicContact CE1-CZ3 4.36Å; Y35-W39 HydrophobicContact CG-CE3 4.23Å; Y35-W39 CarbonylContact O-C 3.54Å; Y35-W39 VanDerWaalsContact O-C 3.26Å; Y35-W39 WeakPolarHBondContact O-CA 3.37Å; Y35-W39 PolarHBondContact O-N 3.46Å; W39-E41 WeakPolarHBondContact CA-OE2 3.43Å; W39-E41 PolarHBondContact O-N 3.32Å; W39-E41 VanDerWaalsContact O-N 3.13Å; W39-Y42 HydrophobicContact CB-CD2 4.05Å; W39-Y42 PolarHBondContact O-N 3Å; W39-K60 HydrophobicContact CD2-CB 3.39Å; W39-K60 HydrophobicContact CE3-CB 3.51Å; W39-K60 HydrophobicContact CG-CB 3.89Å; W39-K60 HydrophobicContact CH2-CB 4.06Å; W39-K60 HydrophobicContact CH2-CD 4.1Å; W39-K60 HydrophobicContact CZ2-CB 3.94Å; W39-K60 HydrophobicContact CZ2-CD 4.47Å; W39-K60 HydrophobicContact CZ3-CB 3.86Å; W39-K60 HydrophobicContact CZ3-CD 4.23Å; W39-A61 PolarHBondContact NE1-O 3.49Å
40	P	97.8	Very high	97.5	Very high	61 Å²	61	48.1 Å²	48.1	40%	0.396	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-57.5	-29	-178.6	24.4	-34.8	0	0	0	113.5	L36 Y42 F43	L36-P40 WeakPolarHBondContact O-CB 3.38Å; P40-Y42 VanDerWaalsContact C-N 3.27Å; P40-Y42 PolarHBondContact O-N 3.28Å; P40-F43 PolarHBondContact O-N 3.01Å
41	E	97.7	Very high	97.2	Very high	78 Å²	78	44.7 Å²	44.7	36%	0.364	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-66.6	-28.8	177.4	65.3	-88.1	-129.6	0	0	112.9	W39 F43 I99 K103	W39-E41 WeakPolarHBondContact CA-OE2 3.43Å; W39-E41 PolarHBondContact O-N 3.32Å; W39-E41 VanDerWaalsContact O-N 3.13Å; E41-F43 VanDerWaalsContact C-N 3.29Å; E41-I99 HydrophobicContact CB-CG2 4.49Å; E41-I99 HydrophobicContact CG-CG2 3.82Å; E41-I99 WeakPolarHBondContact O-CD1 3.49Å; E41-K103 WeakPolarHBondContact OE1-CE 3.4Å; E41-K103 IonicContact OE1-NZ 3.25Å; E41-K103 PolarHBondContact OE1-NZ 2.99Å
42	Y	98.4	Very high	97.2	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-86.6	-0.4	178.8	-78.8	-81.3	0	0	0	113.4	W39 P40 G59 A61 L96 I99 S100 K103	W39-Y42 HydrophobicContact CB-CD2 4.05Å; W39-Y42 PolarHBondContact O-N 3Å; P40-Y42 VanDerWaalsContact C-N 3.27Å; P40-Y42 PolarHBondContact O-N 3.28Å; Y42-G59 VanDerWaalsContact CB-C 3.49Å; Y42-G59 WeakPolarHBondContact CB-O 3.27Å; Y42-G59 PolarHBondContact O-N 3.03Å; Y42-A61 HydrophobicContact CE2-CB 3.83Å; Y42-L96 HydrophobicContact CD1-CD1 3.87Å; Y42-L96 HydrophobicContact CD1-CG 3.73Å; Y42-L96 HydrophobicContact CE1-CD1 4.49Å; Y42-L96 HydrophobicContact CE1-CD2 4.47Å; Y42-L96 HydrophobicContact CE1-CG 3.94Å; Y42-I99 HydrophobicContact CD1-CG2 4.21Å; Y42-I99 HydrophobicContact CD2-CG2 4.08Å; Y42-I99 HydrophobicContact CE1-CB 4.08Å; Y42-I99 HydrophobicContact CE1-CG2 3.76Å; Y42-I99 HydrophobicContact CE2-CG2 3.61Å; Y42-I99 HydrophobicContact CG-CG2 4.36Å; Y42-I99 VanDerWaalsContact CZ-CG2 3.44Å; Y42-S100 VanDerWaalsContact CE1-OG 3.31Å; Y42-S100 WeakPolarHBondContact CE1-OG 3.39Å; Y42-S100 VanDerWaalsContact OH-CA 3.27Å; Y42-S100 WeakPolarHBondContact OH-CA 3.36Å; Y42-S100 PolarHBondContact OH-N 3.04Å; Y42-S100 PolarHBondContact OH-OG 3.31Å; Y42-S100 VanDerWaalsContact OH-OG 3.09Å; Y42-K103 HydrophobicContact CE2-CD 3.83Å
43	F	98.4	Very high	97.2	Very high	1 Å²	1	46.2 Å²	46.2	0%	0.004	28%	0.275	C	S	.	.			trans	-110.2	96.2	-179.3	-154.5	168	0	0	0	110.4	F7 Y32 L36 P40 E41 Y56 I57 M58	F7-F43 HydrophobicContact CB-CB 4.19Å; F7-F43 HydrophobicContact CB-CD1 4.08Å; F7-F43 HydrophobicContact CB-CD2 3.32Å; F7-F43 HydrophobicContact CB-CE1 4.31Å; F7-F43 HydrophobicContact CB-CE2 3.63Å; F7-F43 HydrophobicContact CB-CG 3.59Å; F7-F43 HydrophobicContact CB-CZ 4.11Å; F7-F43 HydrophobicContact CD1-CD1 4.14Å; F7-F43 HydrophobicContact CD1-CD2 4.3Å; F7-F43 AromaticContact CD1-CE1 3.64Å; F7-F43 HydrophobicContact CD1-CE1 3.64Å; F7-F43 AromaticContact CD1-CE2 3.84Å; F7-F43 HydrophobicContact CD1-CE2 3.84Å; F7-F43 HydrophobicContact CD1-CG 4.45Å; F7-F43 AromaticContact CD1-CZ 3.47Å; F7-F43 HydrophobicContact CD1-CZ 3.47Å; F7-F43 VanDerWaalsContact CD1-CZ 3.47Å; F7-F43 AromaticContact CD2-CD2 3.92Å; F7-F43 HydrophobicContact CD2-CD2 3.92Å; F7-F43 AromaticContact CD2-CE2 3.3Å; F7-F43 HydrophobicContact CD2-CE2 3.3Å; F7-F43 AromaticContact CD2-CZ 3.7Å; F7-F43 HydrophobicContact CD2-CZ 3.7Å; F7-F43 HydrophobicContact CE1-CE1 4.04Å; F7-F43 HydrophobicContact CE1-CE2 4.3Å; F7-F43 AromaticContact CE1-CZ 3.68Å; F7-F43 HydrophobicContact CE1-CZ 3.68Å; F7-F43 AromaticContact CE2-CE2 3.85Å; F7-F43 HydrophobicContact CE2-CE2 3.85Å; F7-F43 AromaticContact CE2-CZ 3.91Å; F7-F43 HydrophobicContact CE2-CZ 3.91Å; F7-F43 HydrophobicContact CG-CD1 4.23Å; F7-F43 AromaticContact CG-CD2 3.62Å; F7-F43 HydrophobicContact CG-CD2 3.62Å; F7-F43 AromaticContact CG-CE1 3.95Å; F7-F43 HydrophobicContact CG-CE1 3.95Å; F7-F43 AromaticContact CG-CE2 3.31Å; F7-F43 HydrophobicContact CG-CE2 3.31Å; F7-F43 HydrophobicContact CG-CG 4.08Å; F7-F43 AromaticContact CG-CZ 3.49Å; F7-F43 HydrophobicContact CG-CZ 3.49Å; F7-F43 VanDerWaalsContact CG-CZ 3.49Å; F7-F43 HydrophobicContact CZ-CE2 4.32Å; F7-F43 AromaticContact CZ-CZ 3.9Å; F7-F43 HydrophobicContact CZ-CZ 3.9Å; F7-F43 PolarHBondContact N-O 3.32Å; Y32-F43 HydrophobicContact CD1-CE1 4.23Å; Y32-F43 HydrophobicContact CD1-CZ 4.03Å; L36-F43 HydrophobicContact CD1-CE1 4.44Å; L36-F43 HydrophobicContact CD2-CB 4.47Å; L36-F43 HydrophobicContact CD2-CD1 3.56Å; L36-F43 HydrophobicContact CD2-CE1 4.1Å; L36-F43 HydrophobicContact CD2-CG 4.28Å; L36-F43 HydrophobicContact CG-CD1 3.7Å; L36-F43 HydrophobicContact CG-CE1 3.92Å; P40-F43 PolarHBondContact O-N 3.01Å; E41-F43 VanDerWaalsContact C-N 3.29Å; F43-Y56 AromaticContact CE2-CD2 3.71Å; F43-Y56 HydrophobicContact CE2-CD2 3.71Å; F43-Y56 HydrophobicContact CE2-CE2 4.36Å; F43-Y56 HydrophobicContact CE2-CG 4.27Å; F43-I57 WeakPolarHBondContact CA-O 3.33Å; F43-I57 VanDerWaalsContact CD2-O 3.3Å; F43-I57 WeakPolarHBondContact CD2-O 3.47Å; F43-M58 HydrophobicContact CD1-CG 4.15Å; F43-M58 HydrophobicContact CD1-SD 4.3Å; F43-M58 HydrophobicContact CD2-CB 3.96Å; F43-M58 HydrophobicContact CD2-CG 4.26Å; F43-M58 HydrophobicContact CE1-CG 4.21Å; F43-M58 HydrophobicContact CE1-SD 3.83Å; F43-M58 HydrophobicContact CE2-CB 3.93Å; F43-M58 HydrophobicContact CE2-CG 4.29Å; F43-M58 HydrophobicContact CE2-SD 4.47Å; F43-M58 HydrophobicContact CG-CB 4.37Å; F43-M58 HydrophobicContact CG-CG 4.19Å; F43-M58 HydrophobicContact CZ-CB 4.32Å; F43-M58 HydrophobicContact CZ-CG 4.27Å; F43-M58 HydrophobicContact CZ-SD 3.92Å
44	I	98.6	Very high	97.2	Very high	12 Å²	12	43 Å²	43	6%	0.062	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	139.3	-172.9	-57.3	168.1	0	0	0	109.2	L4 R5 Y56 I57 L92 M95 I99	L4-I44 HydrophobicContact CB-CG2 4.49Å; R5-I44 WeakPolarHBondContact O-CA 3.14Å; R5-I44 WeakPolarHBondContact O-CG2 3.15Å; I44-Y56 CarbonylContact O-C 3.26Å; I44-Y56 VanDerWaalsContact O-CA 3.25Å; I44-Y56 WeakPolarHBondContact O-CA 3.28Å; I44-Y56 WeakPolarHBondContact O-CB 3.24Å; I44-I57 HydrophobicContact CB-CG2 3.86Å; I44-I57 PolarHBondContact N-O 2.98Å; I44-I57 PolarHBondContact O-N 2.67Å; I44-L92 HydrophobicContact CB-CD2 4.34Å; I44-L92 HydrophobicContact CG2-CD2 3.86Å; I44-M95 HydrophobicContact CD1-CB 3.63Å; I44-M95 HydrophobicContact CD1-CE 4.28Å; I44-M95 HydrophobicContact CD1-CG 4.39Å; I44-I99 HydrophobicContact CD1-CD1 3.94Å
45	V	98.5	Very high	97.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144	175.4	69	0	0	0	0	111	L4 R5 F7 L53 G55	L4-V45 WeakPolarHBondContact CA-O 3.5Å; R5-V45 HydrophobicContact CG-CG1 3.73Å; R5-V45 PolarHBondContact N-O 3.21Å; R5-V45 PolarHBondContact O-N 3.27Å; F7-V45 HydrophobicContact CD2-CB 4.03Å; F7-V45 HydrophobicContact CD2-CG2 4.33Å; V45-L53 HydrophobicContact CG2-CB 4.31Å; V45-L53 HydrophobicContact CG2-CD1 4.16Å; V45-L53 HydrophobicContact CG2-CD2 3.77Å; V45-L53 HydrophobicContact CG2-CG 4.29Å; V45-G55 WeakPolarHBondContact CG2-O 3.34Å
46	A	98.4	Very high	97.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	125	169	0	0	0	0	0	109.5	T2 T3 L4 M54 G55 L88	T2-A46 HydrophobicContact CG2-CB 4.02Å; T3-A46 WeakPolarHBondContact O-CA 3.39Å; L4-A46 HydrophobicContact CD2-CB 3.7Å; A46-M54 HydrophobicContact CB-CB 4.19Å; A46-M54 WeakPolarHBondContact O-CB 3.47Å; A46-M54 PolarHBondContact O-N 3Å; A46-G55 PolarHBondContact N-O 3.25Å; A46-L88 HydrophobicContact CB-CD2 4.46Å
47	E	97.9	Very high	97.3	Very high	46 Å²	46	37 Å²	37	22%	0.215	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.9	-178.1	-172.1	178.2	147.1	0	0	110.8	T2 T3 R5 G51 E52 L53	T2-E47 WeakPolarHBondContact CA-O 3.28Å; T3-E47 PolarHBondContact N-O 3.18Å; T3-E47 PolarHBondContact O-N 3.49Å; R5-E47 IonicContact CZ-OE2 3.23Å; R5-E47 IonicContact NE-OE2 3.74Å; R5-E47 PolarHBondContact NE-OE2 3.27Å; R5-E47 IonicContact NH2-OE2 3.46Å; R5-E47 PolarHBondContact NH2-OE2 3.1Å; E47-G51 VanDerWaalsContact OE1-CA 3.31Å; E47-G51 WeakPolarHBondContact OE1-CA 3.34Å; E47-E52 WeakPolarHBondContact CA-O 3.48Å; E47-L53 HydrophobicContact CB-CD2 4.39Å; E47-L53 HydrophobicContact CG-CD2 4.27Å
48	A	96.8	Very high	97.3	Very high	11 Å²	11	33.3 Å²	33.3	9%	0.091	20%	0.2	C	C	.	.			trans	-74.8	160.5	175.2	0	0	0	0	0	110.8	G50 G51 E52 M54 F83	A48-G50 PolarHBondContact O-N 3.4Å; A48-G51 PolarHBondContact O-N 3.39Å; A48-E52 HydrophobicContact CB-CB 4.27Å; A48-E52 WeakPolarHBondContact CB-O 3.36Å; A48-E52 PolarHBondContact N-O 3.4Å; A48-M54 HydrophobicContact CB-CG 3.76Å; A48-M54 HydrophobicContact CB-SD 3.84Å; A48-F83 HydrophobicContact CB-CZ 4.4Å
49	P	94.2	Very high	97.4	Very high	107 Å²	107	27.8 Å²	27.8	70%	0.695	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-26.8	177.3	-28.4	36.4	0	0	0	115.4	M1 G51	M1-P49 VanDerWaalsContact N-CG 3.3Å; M1-P49 WeakPolarHBondContact O-CG 3.41Å; P49-G51 VanDerWaalsContact C-N 3.31Å
50	G	92.9	Very high	97.3	Very high	79 Å²	79	27.1 Å²	27.1	81%	0.814	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	2.4	178.6	0	0	0	0	0	114.9	A48	A48-G50 PolarHBondContact O-N 3.4Å
51	G	92.9	Very high	97.3	Very high	31 Å²	31	24.5 Å²	24.5	32%	0.32	16%	0.156	S	C	.	.	S	Bend	trans	87.9	0.3	-177.6	0	0	0	0	0	115.2	E47 A48 P49	E47-G51 VanDerWaalsContact OE1-CA 3.31Å; E47-G51 WeakPolarHBondContact OE1-CA 3.34Å; A48-G51 PolarHBondContact O-N 3.39Å; P49-G51 VanDerWaalsContact C-N 3.31Å
52	E	95.6	Very high	97.2	Very high	95 Å²	95	23.6 Å²	23.6	44%	0.444	15%	0.151	S	C	.	.			trans	-76.3	134.2	178.4	-176.8	170.7	-149.3	0	0	111	E47 A48 M54 F83	E47-E52 WeakPolarHBondContact CA-O 3.48Å; A48-E52 HydrophobicContact CB-CB 4.27Å; A48-E52 WeakPolarHBondContact CB-O 3.36Å; A48-E52 PolarHBondContact N-O 3.4Å; E52-M54 PolarHBondContact O-N 3.05Å; E52-F83 HydrophobicContact CG-CE2 4.1Å; E52-F83 HydrophobicContact CG-CZ 4.33Å; E52-F83 WeakPolarHBondContact OE2-CZ 3.22Å
53	L	97.8	Very high	97	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	124.5	176.6	-56.2	-172	0	0	0	109.4	D11 K14 F15 N17 I18 V45 E47	D11-L53 HydrophobicContact CB-CD1 3.86Å; K14-L53 HydrophobicContact CB-CD1 3.87Å; K14-L53 HydrophobicContact CB-CG 4.24Å; F15-L53 HydrophobicContact CB-CD1 4.07Å; N17-L53 PolarHBondContact ND2-O 3.43Å; I18-L53 HydrophobicContact CD1-CB 3.69Å; V45-L53 HydrophobicContact CG2-CB 4.31Å; V45-L53 HydrophobicContact CG2-CD1 4.16Å; V45-L53 HydrophobicContact CG2-CD2 3.77Å; V45-L53 HydrophobicContact CG2-CG 4.29Å; E47-L53 HydrophobicContact CB-CD2 4.39Å; E47-L53 HydrophobicContact CG-CD2 4.27Å
54	M	98.2	Very high	96.8	Very high	7 Å²	7	27.7 Å²	27.7	3%	0.034	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-28.8	-177.1	-56.2	173.7	80	0	0	112.1	T2 A46 A48 E52 V79 A80 F83 L86 L88	T2-M54 HydrophobicContact CG2-SD 3.53Å; T2-M54 VanDerWaalsContact CG2-SD 3.53Å; T2-M54 WeakPolarHBondContact OG1-CE 3.47Å; T2-M54 PolarHBondContact OG1-SD 3.39Å; A46-M54 HydrophobicContact CB-CB 4.19Å; A46-M54 WeakPolarHBondContact O-CB 3.47Å; A46-M54 PolarHBondContact O-N 3Å; A48-M54 HydrophobicContact CB-CG 3.76Å; A48-M54 HydrophobicContact CB-SD 3.84Å; E52-M54 PolarHBondContact O-N 3.05Å; M54-V79 WeakPolarHBondContact O-CA 3.27Å; M54-V79 WeakPolarHBondContact O-CG1 3.15Å; M54-A80 PolarHBondContact O-N 3.4Å; M54-F83 HydrophobicContact CB-CB 4.06Å; M54-F83 HydrophobicContact CB-CD1 4.47Å; M54-F83 HydrophobicContact CB-CD2 3.79Å; M54-F83 HydrophobicContact CB-CE2 4.37Å; M54-F83 HydrophobicContact CB-CG 3.85Å; M54-F83 HydrophobicContact CE-CB 4.05Å; M54-F83 HydrophobicContact CE-CD1 3.29Å; M54-F83 HydrophobicContact CE-CE1 3.86Å; M54-F83 HydrophobicContact CE-CG 3.76Å; M54-F83 HydrophobicContact CG-CD1 4.06Å; M54-F83 HydrophobicContact CG-CD2 3.9Å; M54-F83 HydrophobicContact CG-CE1 4.2Å; M54-F83 HydrophobicContact CG-CE2 4.06Å; M54-F83 HydrophobicContact CG-CG 3.9Å; M54-F83 HydrophobicContact CG-CZ 4.2Å; M54-F83 HydrophobicContact SD-CD1 4.49Å; M54-L86 HydrophobicContact CE-CD1 4.35Å; M54-L88 HydrophobicContact CB-CD1 3.94Å; M54-L88 HydrophobicContact CE-CD1 3.67Å; M54-L88 HydrophobicContact SD-CD1 4.34Å
55	G	98.1	Very high	96.5	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.4	162.5	-177.5	0	0	0	0	0	111.2	V45 A46 S78	V45-G55 WeakPolarHBondContact CG2-O 3.34Å; A46-G55 PolarHBondContact N-O 3.25Å; G55-S78 CarbonylContact C-O 3.55Å; G55-S78 WeakPolarHBondContact CA-O 3.47Å
56	Y	98.5	Very high	96.2	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	160.6	174.6	69.7	-90.8	0	0	0	110.8	F15 I18 N19 F43 I44 M58 A76 S78	F15-Y56 AromaticContact CD2-CE1 3.89Å; F15-Y56 HydrophobicContact CD2-CE1 3.89Å; I18-Y56 HydrophobicContact CB-CE1 4.42Å; I18-Y56 HydrophobicContact CD1-CD1 4.1Å; I18-Y56 HydrophobicContact CG2-CD1 3.92Å; I18-Y56 HydrophobicContact CG2-CE1 3.72Å; N19-Y56 VanDerWaalsContact OD1-CE1 3.27Å; N19-Y56 WeakPolarHBondContact OD1-CE1 3.32Å; N19-Y56 PolarHBondContact OD1-OH 3.39Å; N19-Y56 VanDerWaalsContact OD1-OH 3.07Å; F43-Y56 AromaticContact CE2-CD2 3.71Å; F43-Y56 HydrophobicContact CE2-CD2 3.71Å; F43-Y56 HydrophobicContact CE2-CE2 4.36Å; F43-Y56 HydrophobicContact CE2-CG 4.27Å; I44-Y56 CarbonylContact O-C 3.26Å; I44-Y56 VanDerWaalsContact O-CA 3.25Å; I44-Y56 WeakPolarHBondContact O-CA 3.28Å; I44-Y56 WeakPolarHBondContact O-CB 3.24Å; Y56-M58 HydrophobicContact CD2-CB 4.37Å; Y56-M58 HydrophobicContact CE2-CB 4.37Å; Y56-A76 HydrophobicContact CE2-CB 3.94Å; Y56-S78 PolarHBondContact N-O 3.25Å; Y56-S78 PolarHBondContact O-N 3.34Å; Y56-S78 VanDerWaalsContact O-N 3.09Å
57	I	98.7	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.6	166.1	-168	168.5	0	0	0	108.3	F43 I44 V74 A76 L77 L92 M93 L96	F43-I57 WeakPolarHBondContact CA-O 3.33Å; F43-I57 VanDerWaalsContact CD2-O 3.3Å; F43-I57 WeakPolarHBondContact CD2-O 3.47Å; I44-I57 HydrophobicContact CB-CG2 3.86Å; I44-I57 PolarHBondContact N-O 2.98Å; I44-I57 PolarHBondContact O-N 2.67Å; I57-V74 HydrophobicContact CD1-CG1 4.16Å; I57-V74 HydrophobicContact CG1-CG1 4.09Å; I57-A76 CarbonylContact C-O 3.56Å; I57-A76 WeakPolarHBondContact CA-O 3.47Å; I57-L77 HydrophobicContact CB-CD1 3.91Å; I57-L77 HydrophobicContact CD1-CD1 4.13Å; I57-L77 HydrophobicContact CG1-CB 4.38Å; I57-L77 HydrophobicContact CG1-CD1 4.08Å; I57-L92 HydrophobicContact CB-CB 3.99Å; I57-L92 HydrophobicContact CD1-CB 4.34Å; I57-L92 HydrophobicContact CG2-CB 3.91Å; I57-L92 HydrophobicContact CG2-CD2 3.99Å; I57-L92 HydrophobicContact CG2-CG 4.44Å; I57-M93 HydrophobicContact CD1-CG 4.41Å; I57-M93 HydrophobicContact CD1-SD 3.72Å; I57-L96 HydrophobicContact CD1-CB 3.77Å; I57-L96 HydrophobicContact CD1-CD1 3.65Å; I57-L96 HydrophobicContact CD1-CG 4.27Å; I57-L96 HydrophobicContact CG1-CD1 3.89Å
58	M	98.6	Very high	95.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.7	176.2	-176.8	176.4	70.5	0	0	107.6	Y27 F31 Y32 Y35 F43 Y56 T75 A76	Y27-M58 HydrophobicContact CD2-CE 4.17Å; Y27-M58 HydrophobicContact CE2-CE 4.16Å; F31-M58 HydrophobicContact CD1-CE 4Å; F31-M58 HydrophobicContact CE1-CE 3.56Å; Y32-M58 HydrophobicContact CD1-CE 4.38Å; Y32-M58 HydrophobicContact CD1-SD 3.78Å; Y32-M58 HydrophobicContact CE1-CE 4.29Å; Y32-M58 HydrophobicContact CE1-SD 4.17Å; Y35-M58 HydrophobicContact CD1-CG 3.58Å; Y35-M58 HydrophobicContact CD1-SD 4.08Å; Y35-M58 HydrophobicContact CD2-SD 4.22Å; Y35-M58 HydrophobicContact CE1-CG 4.21Å; Y35-M58 HydrophobicContact CG-CG 3.9Å; Y35-M58 HydrophobicContact CG-SD 3.8Å; F43-M58 HydrophobicContact CD1-CG 4.15Å; F43-M58 HydrophobicContact CD1-SD 4.3Å; F43-M58 HydrophobicContact CD2-CB 3.96Å; F43-M58 HydrophobicContact CD2-CG 4.26Å; F43-M58 HydrophobicContact CE1-CG 4.21Å; F43-M58 HydrophobicContact CE1-SD 3.83Å; F43-M58 HydrophobicContact CE2-CB 3.93Å; F43-M58 HydrophobicContact CE2-CG 4.29Å; F43-M58 HydrophobicContact CE2-SD 4.47Å; F43-M58 HydrophobicContact CG-CB 4.37Å; F43-M58 HydrophobicContact CG-CG 4.19Å; F43-M58 HydrophobicContact CZ-CB 4.32Å; F43-M58 HydrophobicContact CZ-CG 4.27Å; F43-M58 HydrophobicContact CZ-SD 3.92Å; Y56-M58 HydrophobicContact CD2-CB 4.37Å; Y56-M58 HydrophobicContact CE2-CB 4.37Å; M58-T75 HydrophobicContact CE-CG2 3.65Å; M58-T75 WeakPolarHBondContact O-CB 3.41Å; M58-T75 PolarHBondContact O-N 3.15Å; M58-A76 HydrophobicContact CB-CB 4.31Å; M58-A76 HydrophobicContact CE-CB 4.13Å; M58-A76 PolarHBondContact N-O 3.49Å; M58-A76 PolarHBondContact O-N 3.46Å
59	G	98.3	Very high	95.5	Very high	0 Å²	0	50 Å²	50	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	-179.7	177.5	0	0	0	0	0	112.7	Y35 Y42 H73	Y35-G59 VanDerWaalsContact CD1-O 3.27Å; Y35-G59 WeakPolarHBondContact CD1-O 3.46Å; Y42-G59 VanDerWaalsContact CB-C 3.49Å; Y42-G59 WeakPolarHBondContact CB-O 3.27Å; Y42-G59 PolarHBondContact O-N 3.03Å; G59-H73 CarbonylContact C-O 3.56Å; G59-H73 WeakPolarHBondContact CA-O 3.48Å
60	K	97.9	Very high	95.6	Very high	37 Å²	37	48.1 Å²	48.1	16%	0.161	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	165.4	178.6	54.7	176.7	169.3	159	0	110.1	Y35 W39 E62 G72 H73	Y35-K60 HydrophobicContact CD1-CB 4.46Å; Y35-K60 HydrophobicContact CE1-CB 3.8Å; Y35-K60 HydrophobicContact CE1-CD 4.19Å; Y35-K60 HydrophobicContact CE1-CG 3.99Å; Y35-K60 WeakPolarHBondContact OH-CD 3.4Å; Y35-K60 WeakPolarHBondContact OH-CE 3.34Å; W39-K60 HydrophobicContact CD2-CB 3.39Å; W39-K60 HydrophobicContact CE3-CB 3.51Å; W39-K60 HydrophobicContact CG-CB 3.89Å; W39-K60 HydrophobicContact CH2-CB 4.06Å; W39-K60 HydrophobicContact CH2-CD 4.1Å; W39-K60 HydrophobicContact CZ2-CB 3.94Å; W39-K60 HydrophobicContact CZ2-CD 4.47Å; W39-K60 HydrophobicContact CZ3-CB 3.86Å; W39-K60 HydrophobicContact CZ3-CD 4.23Å; K60-E62 WeakPolarHBondContact CE-OE1 3.09Å; K60-E62 VanDerWaalsContact CE-OE2 3.31Å; K60-E62 WeakPolarHBondContact CE-OE2 3.27Å; K60-E62 IonicContact NZ-OE1 3.4Å; K60-E62 PolarHBondContact NZ-OE1 3.09Å; K60-E62 IonicContact NZ-OE2 3.75Å; K60-E62 PolarHBondContact NZ-OE2 3.13Å; K60-G72 CarbonylContact O-C 3.55Å; K60-G72 WeakPolarHBondContact O-CA 3.31Å; K60-H73 HydrophobicContact CG-CB 3.92Å; K60-H73 PolarHBondContact N-O 3.21Å; K60-H73 PolarHBondContact O-N 2.99Å
61	A	97.5	Very high	95.9	Very high	5 Å²	5	45.2 Å²	45.2	4%	0.041	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	128.8	164.8	0	0	0	0	0	108.8	W39 Y42 W70 H71 K103	W39-A61 PolarHBondContact NE1-O 3.49Å; Y42-A61 HydrophobicContact CE2-CB 3.83Å; A61-W70 HydrophobicContact CB-CH2 4.13Å; A61-W70 HydrophobicContact CB-CZ2 3.94Å; A61-H71 WeakPolarHBondContact CA-O 3.4Å; A61-K103 HydrophobicContact CB-CD 4.02Å
62	E	95.7	Very high	96.2	Very high	59 Å²	59	43.8 Å²	43.8	28%	0.276	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	179.9	-176	71.7	-175.3	156.3	0	0	113.5	K60 W70 H71 H73	K60-E62 WeakPolarHBondContact CE-OE1 3.09Å; K60-E62 VanDerWaalsContact CE-OE2 3.31Å; K60-E62 WeakPolarHBondContact CE-OE2 3.27Å; K60-E62 IonicContact NZ-OE1 3.4Å; K60-E62 PolarHBondContact NZ-OE1 3.09Å; K60-E62 IonicContact NZ-OE2 3.75Å; K60-E62 PolarHBondContact NZ-OE2 3.13Å; E62-W70 CarbonylContact O-C 3.53Å; E62-W70 WeakPolarHBondContact O-CA 3.47Å; E62-H71 PolarHBondContact N-O 3.13Å; E62-H71 PolarHBondContact O-N 3.09Å; E62-H71 PolarHBondContact O-ND1 2.8Å; E62-H71 IonicContact OE1-NE2 3.71Å; E62-H73 IonicContact OE1-CG 3.62Å
63	G	94.3	Very high	96.3	Very high	46 Å²	46	39.8 Å²	39.8	47%	0.474	21%	0.214	S	C	.	.	S	Bend	trans	92.2	-166.6	-178.9	0	0	0	0	0	114.2	E69	G63-E69 WeakPolarHBondContact CA-O 3Å
64	S	92.6	Very high	96.3	Very high	43 Å²	43	40 Å²	40	30%	0.301	22%	0.215	S	C	.	.			trans	-122.9	127.3	-174.4	177.7	0	0	0	0	112.1	A66 R67 E68 E69 W70	S64-A66 VanDerWaalsContact C-N 3.25Å; S64-A66 PolarHBondContact O-N 3.17Å; S64-A66 PolarHBondContact OG-N 3.39Å; S64-R67 PolarHBondContact O-N 2.89Å; S64-E68 PolarHBondContact O-N 3.3Å; S64-E69 PolarHBondContact O-N 2.8Å; S64-W70 PolarHBondContact O-N 2.83Å
65	V	92.4	Very high	96.3	Very high	74 Å²	74	40.7 Å²	40.7	45%	0.448	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-62	-36.3	174.5	178.2	0	0	0	0	111.3	R67 E68 W70	V65-R67 PolarHBondContact O-N 3.39Å; V65-E68 PolarHBondContact O-N 2.9Å; V65-W70 HydrophobicContact CG2-CB 3.77Å; V65-W70 HydrophobicContact CG2-CD2 4.29Å; V65-W70 HydrophobicContact CG2-CG 3.86Å
66	A	92.1	Very high	96.3	Very high	97 Å²	97	41.2 Å²	41.2	80%	0.802	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-69	-22	-177.8	0	0	0	0	0	113.3	S64	S64-A66 VanDerWaalsContact C-N 3.25Å; S64-A66 PolarHBondContact O-N 3.17Å; S64-A66 PolarHBondContact OG-N 3.39Å
67	R	91.6	Very high	96.2	Very high	183 Å²	183	42.6 Å²	42.6	69%	0.691	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-101	6	178.5	-63.9	-176	178.6	174.1	-0.8	113.5	S64 V65 E69	S64-R67 PolarHBondContact O-N 2.89Å; V65-R67 PolarHBondContact O-N 3.39Å; R67-E69 HydrophobicContact CB-CB 4.26Å; R67-E69 HydrophobicContact CB-CG 4.01Å; R67-E69 WeakPolarHBondContact CB-OE2 2.98Å; R67-E69 VanDerWaalsContact CD-OE2 3.29Å; R67-E69 WeakPolarHBondContact CD-OE2 3.34Å; R67-E69 PolarHBondContact O-N 2.98Å
68	E	93	Very high	96.2	Very high	93 Å²	93	43.1 Å²	43.1	44%	0.435	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	25.9	-171.1	-53.5	-173.6	155.9	0	0	113.1	S64 V65 F106 K163	S64-E68 PolarHBondContact O-N 3.3Å; V65-E68 PolarHBondContact O-N 2.9Å; E68-F106 HydrophobicContact CB-CD1 4.26Å; E68-F106 HydrophobicContact CB-CE1 3.97Å; E68-F106 HydrophobicContact CB-CE2 4.3Å; E68-F106 HydrophobicContact CB-CZ 3.99Å; E68-F106 HydrophobicContact CG-CE1 4.03Å; E68-F106 HydrophobicContact CG-CZ 3.98Å; E68-K163 IonicContact OE1-NZ 4Å; E68-K163 IonicContact OE2-NZ 2.84Å; E68-K163 PolarHBondContact OE2-NZ 3.24Å; E68-K163 VanDerWaalsContact OE2-NZ 3.1Å
69	E	94.1	Very high	96.2	Very high	91 Å²	91	43.7 Å²	43.7	43%	0.425	24%	0.239	S	C	.	.			trans	-109.4	4.6	-175.7	-73.6	170	167.3	0	0	112.6	G63 S64 R67 H71	G63-E69 WeakPolarHBondContact CA-O 3Å; S64-E69 PolarHBondContact O-N 2.8Å; R67-E69 HydrophobicContact CB-CB 4.26Å; R67-E69 HydrophobicContact CB-CG 4.01Å; R67-E69 WeakPolarHBondContact CB-OE2 2.98Å; R67-E69 VanDerWaalsContact CD-OE2 3.29Å; R67-E69 WeakPolarHBondContact CD-OE2 3.34Å; R67-E69 PolarHBondContact O-N 2.98Å; E69-H71 PolarHBondContact O-N 2.93Å; E69-H71 PolarHBondContact O-ND1 3.2Å
70	W	97.6	Very high	96.1	Very high	66 Å²	66	43.7 Å²	43.7	25%	0.25	24%	0.239	C	C	.	.			trans	-69.4	114.6	175.6	-179.4	-107.4	0	0	0	110.4	A61 E62 S64 V65 K103 G105 F106	A61-W70 HydrophobicContact CB-CH2 4.13Å; A61-W70 HydrophobicContact CB-CZ2 3.94Å; E62-W70 CarbonylContact O-C 3.53Å; E62-W70 WeakPolarHBondContact O-CA 3.47Å; S64-W70 PolarHBondContact O-N 2.83Å; V65-W70 HydrophobicContact CG2-CB 3.77Å; V65-W70 HydrophobicContact CG2-CD2 4.29Å; V65-W70 HydrophobicContact CG2-CG 3.86Å; W70-K103 PolarHBondContact NE1-O 2.68Å; W70-G105 CarbonylContact O-C 3.58Å; W70-G105 WeakPolarHBondContact O-CA 3.37Å; W70-F106 HydrophobicContact CB-CD2 4.13Å; W70-F106 HydrophobicContact CB-CE2 4.34Å; W70-F106 WeakPolarHBondContact O-CD2 3.34Å; W70-F106 PolarHBondContact O-N 2.79Å
71	H	98.3	Very high	96	Very high	19 Å²	19	45.1 Å²	45.1	9%	0.088	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	165.2	-170.8	66.5	-78.5	0	0	0	112.7	A61 E62 E69 F107 D109	A61-H71 WeakPolarHBondContact CA-O 3.4Å; E62-H71 PolarHBondContact N-O 3.13Å; E62-H71 PolarHBondContact O-N 3.09Å; E62-H71 PolarHBondContact O-ND1 2.8Å; E62-H71 IonicContact OE1-NE2 3.71Å; E69-H71 PolarHBondContact O-N 2.93Å; E69-H71 PolarHBondContact O-ND1 3.2Å; H71-F107 WeakPolarHBondContact CA-O 3.21Å; H71-F107 HydrophobicContact CB-CD1 3.99Å; H71-F107 HydrophobicContact CB-CD2 3.62Å; H71-F107 HydrophobicContact CB-CE1 3.87Å; H71-F107 HydrophobicContact CB-CE2 3.48Å; H71-F107 VanDerWaalsContact CB-CE2 3.48Å; H71-F107 HydrophobicContact CB-CG 3.87Å; H71-F107 HydrophobicContact CB-CZ 3.61Å; H71-F107 WeakPolarHBondContact CB-O 3.37Å; H71-F107 AromaticContact CD2-CE2 3.61Å; H71-F107 AromaticContact CG-CE2 3.38Å; H71-F107 AromaticContact CG-CZ 3.54Å; H71-F107 AromaticContact ND1-CE2 3.89Å; H71-F107 AromaticContact ND1-CZ 3.63Å; H71-D109 IonicContact CD2-OD1 3.91Å; H71-D109 PolarHBondContact CD2-OD1 2.84Å; H71-D109 VanDerWaalsContact CD2-OD1 3.23Å; H71-D109 IonicContact CD2-OD2 3.82Å; H71-D109 IonicContact NE2-OD1 3.8Å; H71-D109 PolarHBondContact NE2-OD1 3.25Å; H71-D109 IonicContact NE2-OD2 2.7Å; H71-D109 PolarHBondContact NE2-OD2 3.48Å
72	G	98.4	Very high	95.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	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 3.31Å; G72-F107 PolarHBondContact N-O 2.89Å; G72-F107 VanDerWaalsContact N-O 3.11Å; G72-V108 CarbonylContact O-C 3.49Å; G72-V108 WeakPolarHBondContact O-CA 3.47Å; G72-D109 PolarHBondContact O-N 2.96Å
73	H	98.5	Very high	95.9	Very high	12 Å²	12	48.5 Å²	48.5	6%	0.056	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.4	178.3	-179.7	75.9	0	0	0	110.3	G59 K60 E62 T75 D109 F111	G59-H73 CarbonylContact C-O 3.56Å; G59-H73 WeakPolarHBondContact CA-O 3.48Å; K60-H73 HydrophobicContact CG-CB 3.92Å; K60-H73 PolarHBondContact N-O 3.21Å; K60-H73 PolarHBondContact O-N 2.99Å; E62-H73 IonicContact OE1-CG 3.62Å; H73-T75 PolarHBondContact CD2-OG1 3.48Å; H73-T75 PolarHBondContact O-N 3.01Å; H73-D109 WeakPolarHBondContact CA-OD1 3.44Å; H73-D109 WeakPolarHBondContact CB-OD1 3.47Å; H73-D109 IonicContact CE1-OD1 2.7Å; H73-D109 IonicContact CG-OD1 3.68Å; H73-D109 IonicContact ND1-OD1 3.39Å; H73-D109 PolarHBondContact ND1-OD1 2.89Å; H73-D109 IonicContact ND1-OD2 3.49Å; H73-F111 AromaticContact CE1-CD2 3.6Å; H73-F111 AromaticContact CE1-CE2 3.6Å
74	V	98.6	Very high	96	Very high	6 Å²	6	51.2 Å²	51.2	4%	0.036	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	105	172.3	-172.1	0	0	0	0	109	I57 L77 M93 L96 V108 D109 L110	I57-V74 HydrophobicContact CD1-CG1 4.16Å; I57-V74 HydrophobicContact CG1-CG1 4.09Å; V74-L77 HydrophobicContact CG1-CB 4.16Å; V74-M93 HydrophobicContact CG1-SD 4.26Å; V74-M93 HydrophobicContact CG2-CE 3.93Å; V74-M93 HydrophobicContact CG2-SD 3.89Å; V74-L96 HydrophobicContact CG2-CD1 3.96Å; V74-L96 HydrophobicContact CG2-CD2 3.69Å; V74-L96 HydrophobicContact CG2-CG 4.46Å; V74-V108 HydrophobicContact CG2-CG1 3.89Å; V74-D109 PolarHBondContact N-O 3.07Å; V74-L110 HydrophobicContact CB-CB 3.91Å; V74-L110 HydrophobicContact CG2-CB 4.4Å
75	T	97.5	Very high	96.1	Very high	22 Å²	22	60.2 Å²	60.2	14%	0.135	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-41.3	179.4	-51.5	0	0	0	0	111.9	F31 Y35 M58 H73	F31-T75 HydrophobicContact CE1-CG2 3.77Å; F31-T75 HydrophobicContact CZ-CG2 3.79Å; Y35-T75 HydrophobicContact CE1-CG2 4.24Å; Y35-T75 WeakPolarHBondContact CE1-OG1 3.3Å; Y35-T75 HydrophobicContact CE2-CG2 4.47Å; Y35-T75 WeakPolarHBondContact OH-CG2 3.18Å; Y35-T75 PolarHBondContact OH-OG1 3.31Å; M58-T75 HydrophobicContact CE-CG2 3.65Å; M58-T75 WeakPolarHBondContact O-CB 3.41Å; M58-T75 PolarHBondContact O-N 3.15Å; H73-T75 PolarHBondContact CD2-OG1 3.48Å; H73-T75 PolarHBondContact O-N 3.01Å
76	A	97.3	Very high	96.2	Very high	12 Å²	12	62.2 Å²	62.2	10%	0.099	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	138.8	177.5	0	0	0	0	0	110.8	Y27 Y56 I57 M58	Y27-A76 HydrophobicContact CE2-CB 4.3Å; Y56-A76 HydrophobicContact CE2-CB 3.94Å; I57-A76 CarbonylContact C-O 3.56Å; I57-A76 WeakPolarHBondContact CA-O 3.47Å; M58-A76 HydrophobicContact CB-CB 4.31Å; M58-A76 HydrophobicContact CE-CB 4.13Å; M58-A76 PolarHBondContact N-O 3.49Å; M58-A76 PolarHBondContact O-N 3.46Å
77	L	98.2	Very high	96.3	Very high	29 Å²	29	59.8 Å²	59.8	15%	0.152	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	115.2	171.1	172.5	66.3	0	0	0	108.4	I57 V74 A89 L92 M93 M122 Y123	I57-L77 HydrophobicContact CB-CD1 3.91Å; I57-L77 HydrophobicContact CD1-CD1 4.13Å; I57-L77 HydrophobicContact CG1-CB 4.38Å; I57-L77 HydrophobicContact CG1-CD1 4.08Å; V74-L77 HydrophobicContact CG1-CB 4.16Å; L77-A89 HydrophobicContact CD2-CB 4.2Å; L77-L92 HydrophobicContact CD1-CB 3.93Å; L77-L92 HydrophobicContact CD1-CD1 3.88Å; L77-M93 HydrophobicContact CD2-CG 3.63Å; L77-M93 HydrophobicContact CD2-SD 3.76Å; L77-M122 HydrophobicContact CD2-CE 3.99Å; L77-Y123 HydrophobicContact CD2-CE1 4.19Å
78	S	97.6	Very high	96.6	Very high	12 Å²	12	51.9 Å²	51.9	8%	0.084	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	140.1	-179.4	-66.1	0	0	0	0	111.2	T24 G55 Y56	T24-S78 WeakPolarHBondContact CG2-OG 3.48Å; T24-S78 WeakPolarHBondContact OG1-CB 3.46Å; T24-S78 PolarHBondContact OG1-OG 2.96Å; G55-S78 CarbonylContact C-O 3.55Å; G55-S78 WeakPolarHBondContact CA-O 3.47Å; Y56-S78 PolarHBondContact N-O 3.25Å; Y56-S78 PolarHBondContact O-N 3.34Å; Y56-S78 VanDerWaalsContact O-N 3.09Å
79	V	98	Very high	96.8	Very high	12 Å²	12	48.4 Å²	48.4	7%	0.073	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.6	174.7	177.9	0	0	0	0	107.5	M54 F83 R84 L88 A89	M54-V79 WeakPolarHBondContact O-CA 3.27Å; M54-V79 WeakPolarHBondContact O-CG1 3.15Å; V79-F83 HydrophobicContact CG1-CB 4.09Å; V79-R84 HydrophobicContact CB-CG 4.38Å; V79-R84 HydrophobicContact CG1-CG 4.12Å; V79-R84 PolarHBondContact O-NE 3.29Å; V79-R84 PolarHBondContact O-NH2 3.33Å; V79-R84 VanDerWaalsContact O-NH2 3.07Å; V79-L88 HydrophobicContact CG1-CB 4.39Å; V79-L88 HydrophobicContact CG1-CD1 4.1Å; V79-L88 HydrophobicContact CG2-CB 4.18Å; V79-A89 HydrophobicContact CG2-CB 4.05Å
80	A	97.2	Very high	97	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.235	C	C	.	.			trans	-55.4	137.9	178.8	0	0	0	0	0	109.9	I18 M54 E82 F83 R84	I18-A80 HydrophobicContact CG1-CB 3.88Å; M54-A80 PolarHBondContact O-N 3.4Å; A80-E82 VanDerWaalsContact C-N 3.25Å; A80-E82 WeakPolarHBondContact CB-OE1 3.37Å; A80-E82 PolarHBondContact O-N 2.57Å; A80-E82 VanDerWaalsContact O-N 3.13Å; A80-F83 HydrophobicContact CB-CD2 3.84Å; A80-F83 PolarHBondContact O-N 2.9Å; A80-R84 PolarHBondContact O-N 2.9Å
81	P	95.8	Very high	97	Very high	66 Å²	66	46.8 Å²	46.8	43%	0.429	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-49.6	-42	-172.1	-29.9	36.2	0	0	0	114.9	F83 R84	P81-F83 PolarHBondContact O-N 2.83Å; P81-R84 WeakPolarHBondContact O-CB 3.46Å; P81-R84 PolarHBondContact O-N 3.1Å
82	E	95.1	Very high	97	Very high	104 Å²	104	45.9 Å²	45.9	49%	0.486	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-67.6	-16.5	179.6	62.3	-83.8	-169.1	0	0	114.2	N17 A80	N17-E82 PolarHBondContact ND2-OE1 3.45Å; A80-E82 VanDerWaalsContact C-N 3.25Å; A80-E82 WeakPolarHBondContact CB-OE1 3.37Å; A80-E82 PolarHBondContact O-N 2.57Å; A80-E82 VanDerWaalsContact O-N 3.13Å
83	F	96.4	Very high	97	Very high	32 Å²	32	45.9 Å²	45.9	14%	0.14	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-110.2	8.3	178.7	-60.1	-64	0	0	0	113.6	A48 E52 M54 V79 A80 P81 L88	A48-F83 HydrophobicContact CB-CZ 4.4Å; E52-F83 HydrophobicContact CG-CE2 4.1Å; E52-F83 HydrophobicContact CG-CZ 4.33Å; E52-F83 WeakPolarHBondContact OE2-CZ 3.22Å; M54-F83 HydrophobicContact CB-CB 4.06Å; M54-F83 HydrophobicContact CB-CD1 4.47Å; M54-F83 HydrophobicContact CB-CD2 3.79Å; M54-F83 HydrophobicContact CB-CE2 4.37Å; M54-F83 HydrophobicContact CB-CG 3.85Å; M54-F83 HydrophobicContact CE-CB 4.05Å; M54-F83 HydrophobicContact CE-CD1 3.29Å; M54-F83 HydrophobicContact CE-CE1 3.86Å; M54-F83 HydrophobicContact CE-CG 3.76Å; M54-F83 HydrophobicContact CG-CD1 4.06Å; M54-F83 HydrophobicContact CG-CD2 3.9Å; M54-F83 HydrophobicContact CG-CE1 4.2Å; M54-F83 HydrophobicContact CG-CE2 4.06Å; M54-F83 HydrophobicContact CG-CG 3.9Å; M54-F83 HydrophobicContact CG-CZ 4.2Å; M54-F83 HydrophobicContact SD-CD1 4.49Å; V79-F83 HydrophobicContact CG1-CB 4.09Å; A80-F83 HydrophobicContact CB-CD2 3.84Å; A80-F83 PolarHBondContact O-N 2.9Å; P81-F83 PolarHBondContact O-N 2.83Å; F83-L88 HydrophobicContact CB-CD1 3.95Å
84	R	95.2	Very high	97	Very high	103 Å²	103	49.2 Å²	49.2	39%	0.389	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	164.1	177.1	-68.7	179.5	-176.9	171.4	1.1	112	D21 V79 A80 P81 L86	D21-R84 VanDerWaalsContact CG-NH2 3.26Å; D21-R84 IonicContact OD1-NH2 2.6Å; D21-R84 IonicContact OD2-CZ 2.79Å; D21-R84 VanDerWaalsContact OD2-CZ 3.29Å; D21-R84 IonicContact OD2-NH1 2.67Å; D21-R84 PolarHBondContact OD2-NH1 3.43Å; D21-R84 IonicContact OD2-NH2 2.84Å; D21-R84 PolarHBondContact OD2-NH2 2.93Å; V79-R84 HydrophobicContact CB-CG 4.38Å; V79-R84 HydrophobicContact CG1-CG 4.12Å; V79-R84 PolarHBondContact O-NE 3.29Å; V79-R84 PolarHBondContact O-NH2 3.33Å; V79-R84 VanDerWaalsContact O-NH2 3.07Å; A80-R84 PolarHBondContact O-N 2.9Å; P81-R84 WeakPolarHBondContact O-CB 3.46Å; P81-R84 PolarHBondContact O-N 3.1Å; R84-L86 PolarHBondContact O-N 3.46Å; R84-L86 VanDerWaalsContact O-N 3.14Å
85	R	94.3	Very high	97	Very high	231 Å²	231	51.3 Å²	51.3	87%	0.872	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	13.2	179.4	-50.3	-61.2	-131.6	-162	2.9	115.2
86	L	94.8	Very high	97.1	Very high	117 Å²	117	50.2 Å²	50.2	61%	0.613	26%	0.256	S	S	*	.	S	Bend	trans	-94.6	4.6	173.1	-59.7	179.1	0	0	0	113.7	M54 R84 L88	M54-L86 HydrophobicContact CE-CD1 4.35Å; R84-L86 PolarHBondContact O-N 3.46Å; R84-L86 VanDerWaalsContact O-N 3.14Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 HydrophobicContact CB-CG 4.24Å; L86-L88 PolarHBondContact O-N 3.44Å
87	G	95.6	Very high	97.1	Very high	45 Å²	45	50.9 Å²	50.9	46%	0.464	26%	0.257	S	S	.	.	S	Bend	trans	78.4	7	-176.3	0	0	0	0	0	115.1	A89 A90 K91	G87-A89 PolarHBondContact O-N 3.11Å; G87-A90 PolarHBondContact O-N 3.04Å; G87-K91 PolarHBondContact O-N 3.47Å
88	L	97.1	Very high	97.2	Very high	17 Å²	17	53.7 Å²	53.7	9%	0.089	27%	0.269	C	S	.	.	H	α-helix	trans	-60.4	-45.9	-177.8	-67.4	174.6	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 4.46Å; M54-L88 HydrophobicContact CB-CD1 3.94Å; M54-L88 HydrophobicContact CE-CD1 3.67Å; M54-L88 HydrophobicContact SD-CD1 4.34Å; V79-L88 HydrophobicContact CG1-CB 4.39Å; V79-L88 HydrophobicContact CG1-CD1 4.1Å; V79-L88 HydrophobicContact CG2-CB 4.18Å; F83-L88 HydrophobicContact CB-CD1 3.95Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 HydrophobicContact CB-CG 4.24Å; L86-L88 PolarHBondContact O-N 3.44Å; L88-A90 VanDerWaalsContact C-N 3.3Å; L88-A90 PolarHBondContact O-N 3.47Å; L88-K91 PolarHBondContact O-N 3.14Å; L88-K91 VanDerWaalsContact O-N 3.11Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 2.97Å
89	A	97.6	Very high	97.2	Very high	21 Å²	21	53.6 Å²	53.6	17%	0.174	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-42.6	178.7	0	0	0	0	0	111.6	L77 V79 G87 K91 L92 M93 M122	L77-A89 HydrophobicContact CD2-CB 4.2Å; V79-A89 HydrophobicContact CG2-CB 4.05Å; G87-A89 PolarHBondContact O-N 3.11Å; A89-K91 VanDerWaalsContact C-N 3.33Å; A89-K91 PolarHBondContact O-N 2.76Å; A89-L92 PolarHBondContact O-N 3.39Å; A89-M93 WeakPolarHBondContact O-CB 3.46Å; A89-M93 VanDerWaalsContact O-CG 3.3Å; A89-M93 WeakPolarHBondContact O-CG 3.02Å; A89-M93 PolarHBondContact O-N 3.31Å; A89-M122 HydrophobicContact CB-SD 3.65Å
90	A	97.8	Very high	97.2	Very high	38 Å²	38	53 Å²	53	31%	0.314	26%	0.264	S	S	.	.	H	α-helix	trans	-62.2	-41.2	175.4	0	0	0	0	0	111.7	G87 L88 M93 E94 L126	G87-A90 PolarHBondContact O-N 3.04Å; L88-A90 VanDerWaalsContact C-N 3.3Å; L88-A90 PolarHBondContact O-N 3.47Å; A90-M93 PolarHBondContact O-N 3.29Å; A90-E94 WeakPolarHBondContact O-CB 3.34Å; A90-E94 PolarHBondContact O-N 3.35Å; A90-L126 HydrophobicContact CB-CD2 3.89Å
91	K	98.2	Very high	97.3	Very high	84 Å²	84	56.1 Å²	56.1	37%	0.365	28%	0.279	S	S	.	.	H	α-helix	trans	-67.9	-39.6	178.5	-171.5	63.1	-171.1	167	0	112.7	L4 G87 L88 A89 E94 M95	L4-K91 HydrophobicContact CD1-CG 3.68Å; G87-K91 PolarHBondContact O-N 3.47Å; L88-K91 PolarHBondContact O-N 3.14Å; L88-K91 VanDerWaalsContact O-N 3.11Å; A89-K91 VanDerWaalsContact C-N 3.33Å; A89-K91 PolarHBondContact O-N 2.76Å; K91-E94 VanDerWaalsContact CD-OE2 3.22Å; K91-E94 WeakPolarHBondContact CD-OE2 3.34Å; K91-E94 WeakPolarHBondContact CE-OE2 3.44Å; K91-E94 IonicContact NZ-OE2 3.16Å; K91-E94 PolarHBondContact NZ-OE2 2.88Å; K91-E94 PolarHBondContact O-N 2.89Å; K91-M95 VanDerWaalsContact O-CG 3.32Å; K91-M95 WeakPolarHBondContact O-CG 3.46Å; K91-M95 PolarHBondContact O-N 2.91Å; K91-M95 VanDerWaalsContact O-N 3.15Å
92	L	98.6	Very high	97.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.4	-41.7	175.7	-71	170.8	0	0	0	111.5	L4 I44 I57 L77 L88 A89 M95 L96	L4-L92 HydrophobicContact CD2-CD2 4.01Å; I44-L92 HydrophobicContact CB-CD2 4.34Å; I44-L92 HydrophobicContact CG2-CD2 3.86Å; I57-L92 HydrophobicContact CB-CB 3.99Å; I57-L92 HydrophobicContact CD1-CB 4.34Å; I57-L92 HydrophobicContact CG2-CB 3.91Å; I57-L92 HydrophobicContact CG2-CD2 3.99Å; I57-L92 HydrophobicContact CG2-CG 4.44Å; L77-L92 HydrophobicContact CD1-CB 3.93Å; L77-L92 HydrophobicContact CD1-CD1 3.88Å; L88-L92 WeakPolarHBondContact O-CG 3.48Å; L88-L92 PolarHBondContact O-N 2.97Å; A89-L92 PolarHBondContact O-N 3.39Å; L92-M95 PolarHBondContact O-N 3.25Å; L92-L96 PolarHBondContact O-N 2.94Å
93	M	98.6	Very high	97.5	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-61.6	-46.4	173.5	-74.6	-63.8	-63.9	0	0	112.1	I57 V74 L77 A89 A90 M95 L96 E97 L110 Y123 L126 Y128	I57-M93 HydrophobicContact CD1-CG 4.41Å; I57-M93 HydrophobicContact CD1-SD 3.72Å; V74-M93 HydrophobicContact CG1-SD 4.26Å; V74-M93 HydrophobicContact CG2-CE 3.93Å; V74-M93 HydrophobicContact CG2-SD 3.89Å; L77-M93 HydrophobicContact CD2-CG 3.63Å; L77-M93 HydrophobicContact CD2-SD 3.76Å; A89-M93 WeakPolarHBondContact O-CB 3.46Å; A89-M93 VanDerWaalsContact O-CG 3.3Å; A89-M93 WeakPolarHBondContact O-CG 3.02Å; A89-M93 PolarHBondContact O-N 3.31Å; A90-M93 PolarHBondContact O-N 3.29Å; M93-M95 VanDerWaalsContact C-N 3.3Å; M93-M95 PolarHBondContact O-N 3.47Å; M93-L96 PolarHBondContact O-N 2.9Å; M93-L96 VanDerWaalsContact O-N 3.13Å; M93-E97 VanDerWaalsContact O-CG 3.31Å; M93-E97 WeakPolarHBondContact O-CG 3.38Å; M93-E97 PolarHBondContact O-N 3.07Å; M93-L110 HydrophobicContact CE-CD2 4.22Å; M93-Y123 HydrophobicContact CE-CD1 4.22Å; M93-Y123 HydrophobicContact CE-CE1 3.89Å; M93-Y123 HydrophobicContact CG-CE1 4.37Å; M93-Y123 HydrophobicContact SD-CE1 3.95Å; M93-L126 HydrophobicContact CB-CD1 4.1Å; M93-L126 HydrophobicContact CG-CD1 4.03Å; M93-Y128 HydrophobicContact CE-CE1 4.17Å; M93-Y128 HydrophobicContact CE-CE2 3.65Å; M93-Y128 WeakPolarHBondContact CE-OH 3.29Å
94	E	98.4	Very high	97.5	Very high	82 Å²	82	60.1 Å²	60.1	38%	0.383	29%	0.289	S	S	.	.	H	α-helix	trans	-55.1	-45.1	176.5	-177.8	-176.3	-143.8	0	0	111.4	A90 K91 L96 E97 E98	A90-E94 WeakPolarHBondContact O-CB 3.34Å; A90-E94 PolarHBondContact O-N 3.35Å; K91-E94 VanDerWaalsContact CD-OE2 3.22Å; K91-E94 WeakPolarHBondContact CD-OE2 3.34Å; K91-E94 WeakPolarHBondContact CE-OE2 3.44Å; K91-E94 IonicContact NZ-OE2 3.16Å; K91-E94 PolarHBondContact NZ-OE2 2.88Å; K91-E94 PolarHBondContact O-N 2.89Å; E94-L96 PolarHBondContact O-N 3.37Å; E94-E97 PolarHBondContact O-N 3Å; E94-E98 WeakPolarHBondContact O-CG 3.31Å; E94-E98 PolarHBondContact O-N 2.7Å
95	M	98.3	Very high	97.6	Very high	49 Å²	49	55.3 Å²	55.3	24%	0.241	27%	0.271	C	S	.	.	H	α-helix	trans	-61.2	-42.6	177.4	-67.5	-68.8	-56.8	0	0	112.5	L4 I44 K91 L92 M93 E98 I99	L4-M95 HydrophobicContact CD1-CG 4.45Å; I44-M95 HydrophobicContact CD1-CB 3.63Å; I44-M95 HydrophobicContact CD1-CE 4.28Å; I44-M95 HydrophobicContact CD1-CG 4.39Å; K91-M95 VanDerWaalsContact O-CG 3.32Å; K91-M95 WeakPolarHBondContact O-CG 3.46Å; K91-M95 PolarHBondContact O-N 2.91Å; K91-M95 VanDerWaalsContact O-N 3.15Å; L92-M95 PolarHBondContact O-N 3.25Å; M93-M95 VanDerWaalsContact C-N 3.3Å; M93-M95 PolarHBondContact O-N 3.47Å; M95-E98 PolarHBondContact O-N 3.46Å; M95-I99 WeakPolarHBondContact O-CD1 3.3Å; M95-I99 VanDerWaalsContact O-CG1 3.24Å; M95-I99 WeakPolarHBondContact O-CG1 3.31Å; M95-I99 PolarHBondContact O-N 2.84Å
96	L	98.6	Very high	97.8	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.5	-39	178.1	-179.1	145.5	0	0	0	111.8	Y42 I57 V74 L92 M93 E94 I99 S100 V108	Y42-L96 HydrophobicContact CD1-CD1 3.87Å; Y42-L96 HydrophobicContact CD1-CG 3.73Å; Y42-L96 HydrophobicContact CE1-CD1 4.49Å; Y42-L96 HydrophobicContact CE1-CD2 4.47Å; Y42-L96 HydrophobicContact CE1-CG 3.94Å; I57-L96 HydrophobicContact CD1-CB 3.77Å; I57-L96 HydrophobicContact CD1-CD1 3.65Å; I57-L96 HydrophobicContact CD1-CG 4.27Å; I57-L96 HydrophobicContact CG1-CD1 3.89Å; V74-L96 HydrophobicContact CG2-CD1 3.96Å; V74-L96 HydrophobicContact CG2-CD2 3.69Å; V74-L96 HydrophobicContact CG2-CG 4.46Å; L92-L96 PolarHBondContact O-N 2.94Å; M93-L96 PolarHBondContact O-N 2.9Å; M93-L96 VanDerWaalsContact O-N 3.13Å; E94-L96 PolarHBondContact O-N 3.37Å; L96-I99 PolarHBondContact O-N 2.75Å; L96-S100 WeakPolarHBondContact O-CB 3.49Å; L96-S100 PolarHBondContact O-N 2.88Å; L96-S100 PolarHBondContact O-OG 3Å; L96-V108 HydrophobicContact CD2-CG1 3.6Å; L96-V108 HydrophobicContact CD2-CG2 4.25Å
97	E	98.7	Very high	98	Very high	26 Å²	26	39.6 Å²	39.6	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-46.6	173.5	-70.9	172.3	-172	0	0	111.1	M93 E94 I99 S100 E101 V108 Y128 K154	M93-E97 VanDerWaalsContact O-CG 3.31Å; M93-E97 WeakPolarHBondContact O-CG 3.38Å; M93-E97 PolarHBondContact O-N 3.07Å; E94-E97 PolarHBondContact O-N 3Å; E97-I99 VanDerWaalsContact C-N 3.34Å; E97-I99 PolarHBondContact O-N 2.65Å; E97-S100 WeakPolarHBondContact O-CB 3.37Å; E97-S100 PolarHBondContact O-N 2.68Å; E97-S100 VanDerWaalsContact O-N 3.1Å; E97-E101 WeakPolarHBondContact O-CG 3.42Å; E97-E101 PolarHBondContact O-N 2.96Å; E97-V108 HydrophobicContact CG-CG2 4.17Å; E97-Y128 WeakPolarHBondContact OE1-CE2 3.11Å; E97-Y128 PolarHBondContact OE1-OH 3.4Å; E97-K154 VanDerWaalsContact CD-NZ 3.26Å; E97-K154 IonicContact OE1-NZ 2.68Å; E97-K154 PolarHBondContact OE1-NZ 3.42Å; E97-K154 VanDerWaalsContact OE1-NZ 3.17Å; E97-K154 IonicContact OE2-NZ 3.29Å; E97-K154 PolarHBondContact OE2-NZ 2.99Å
98	E	98.5	Very high	98.1	Very high	88 Å²	88	37.4 Å²	37.4	41%	0.411	18%	0.182	S	C	.	.	H	α-helix	trans	-61.4	-37.8	176.5	-74.6	178.8	-173.5	0	0	113.1	E94 M95 S100 R102	E94-E98 WeakPolarHBondContact O-CG 3.31Å; E94-E98 PolarHBondContact O-N 2.7Å; M95-E98 PolarHBondContact O-N 3.46Å; E98-S100 VanDerWaalsContact C-N 3.34Å; E98-R102 WeakPolarHBondContact O-CG 2.98Å; E98-R102 PolarHBondContact O-N 3.03Å; E98-R102 VanDerWaalsContact O-N 3.1Å; E98-R102 PolarHBondContact O-NE 2.82Å
99	I	98.4	Very high	98.2	Very high	9 Å²	9	37 Å²	37	5%	0.046	18%	0.18	C	C	.	.	H	α-helix	trans	-65.7	-42.5	174	-65.5	157.6	0	0	0	110	E41 Y42 I44 M95 L96 E97 R102 K103	E41-I99 HydrophobicContact CB-CG2 4.49Å; E41-I99 HydrophobicContact CG-CG2 3.82Å; E41-I99 WeakPolarHBondContact O-CD1 3.49Å; Y42-I99 HydrophobicContact CD1-CG2 4.21Å; Y42-I99 HydrophobicContact CD2-CG2 4.08Å; Y42-I99 HydrophobicContact CE1-CB 4.08Å; Y42-I99 HydrophobicContact CE1-CG2 3.76Å; Y42-I99 HydrophobicContact CE2-CG2 3.61Å; Y42-I99 HydrophobicContact CG-CG2 4.36Å; Y42-I99 VanDerWaalsContact CZ-CG2 3.44Å; I44-I99 HydrophobicContact CD1-CD1 3.94Å; M95-I99 WeakPolarHBondContact O-CD1 3.3Å; M95-I99 VanDerWaalsContact O-CG1 3.24Å; M95-I99 WeakPolarHBondContact O-CG1 3.31Å; M95-I99 PolarHBondContact O-N 2.84Å; L96-I99 PolarHBondContact O-N 2.75Å; E97-I99 VanDerWaalsContact C-N 3.34Å; E97-I99 PolarHBondContact O-N 2.65Å; I99-R102 PolarHBondContact O-N 3.14Å; I99-K103 WeakPolarHBondContact O-CG 3.39Å; I99-K103 PolarHBondContact O-N 2.86Å
100	S	98.4	Very high	98.2	Very high	1 Å²	1	36 Å²	36	1%	0.007	17%	0.172	C	C	.	.	H	α-helix	trans	-66.6	-40	-179.9	-55.4	0	0	0	0	112.4	Y42 L96 E97 E98 K103 G104 G105	Y42-S100 VanDerWaalsContact CE1-OG 3.31Å; Y42-S100 WeakPolarHBondContact CE1-OG 3.39Å; Y42-S100 VanDerWaalsContact OH-CA 3.27Å; Y42-S100 WeakPolarHBondContact OH-CA 3.36Å; Y42-S100 PolarHBondContact OH-N 3.04Å; Y42-S100 PolarHBondContact OH-OG 3.31Å; Y42-S100 VanDerWaalsContact OH-OG 3.09Å; L96-S100 WeakPolarHBondContact O-CB 3.49Å; L96-S100 PolarHBondContact O-N 2.88Å; L96-S100 PolarHBondContact O-OG 3Å; E97-S100 WeakPolarHBondContact O-CB 3.37Å; E97-S100 PolarHBondContact O-N 2.68Å; E97-S100 VanDerWaalsContact O-N 3.1Å; E98-S100 VanDerWaalsContact C-N 3.34Å; S100-K103 CarbonylContact O-C 3.51Å; S100-K103 PolarHBondContact O-N 3.48Å; S100-G104 PolarHBondContact O-N 3.17Å; S100-G105 PolarHBondContact O-N 3.11Å
101	E	98.3	Very high	98.2	Very high	65 Å²	65	36 Å²	36	30%	0.304	17%	0.165	S	C	.	.	H	α-helix	trans	-58.1	-48.8	170.9	-78	-74	-173.8	0	0	111.2	E97 K103 G104 L156 S157	E97-E101 WeakPolarHBondContact O-CG 3.42Å; E97-E101 PolarHBondContact O-N 2.96Å; E101-K103 PolarHBondContact O-N 2.93Å; E101-G104 WeakPolarHBondContact O-CA 3.47Å; E101-G104 PolarHBondContact O-N 3.04Å; E101-L156 HydrophobicContact CG-CD1 4.2Å; E101-L156 HydrophobicContact CG-CD2 3.96Å; E101-L156 HydrophobicContact CG-CG 4.43Å; E101-L156 WeakPolarHBondContact OE1-CA 3.29Å; E101-L156 WeakPolarHBondContact OE1-CB 3.46Å; E101-S157 PolarHBondContact OE1-N 2.97Å; E101-S157 WeakPolarHBondContact OE2-CB 3.37Å; E101-S157 PolarHBondContact OE2-OG 2.82Å
102	R	97.9	Very high	98.2	Very high	191 Å²	191	32.2 Å²	32.2	72%	0.721	15%	0.149	S	C	*	.	H	α-helix	trans	-63.7	-29.2	178.5	-74.2	-175.2	-65.4	171.1	-1.1	113.3	E98 I99 G104	E98-R102 WeakPolarHBondContact O-CG 2.98Å; E98-R102 PolarHBondContact O-N 3.03Å; E98-R102 VanDerWaalsContact O-N 3.1Å; E98-R102 PolarHBondContact O-NE 2.82Å; I99-R102 PolarHBondContact O-N 3.14Å; R102-G104 PolarHBondContact O-N 3.05Å
103	K	96.9	Very high	98.1	Very high	71 Å²	71	34.1 Å²	34.1	31%	0.309	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	2.3	172.8	-70.9	-163	178.6	-165.4	0	113.7	E41 Y42 A61 W70 I99 S100 E101	E41-K103 WeakPolarHBondContact OE1-CE 3.4Å; E41-K103 IonicContact OE1-NZ 3.25Å; E41-K103 PolarHBondContact OE1-NZ 2.99Å; Y42-K103 HydrophobicContact CE2-CD 3.83Å; A61-K103 HydrophobicContact CB-CD 4.02Å; W70-K103 PolarHBondContact NE1-O 2.68Å; I99-K103 WeakPolarHBondContact O-CG 3.39Å; I99-K103 PolarHBondContact O-N 2.86Å; S100-K103 CarbonylContact O-C 3.51Å; S100-K103 PolarHBondContact O-N 3.48Å; E101-K103 PolarHBondContact O-N 2.93Å
104	G	97.1	Very high	98	Very high	24 Å²	24	35.8 Å²	35.8	25%	0.247	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	35.2	-179.6	0	0	0	0	0	113	S100 E101 R102 R158	S100-G104 PolarHBondContact O-N 3.17Å; E101-G104 WeakPolarHBondContact O-CA 3.47Å; E101-G104 PolarHBondContact O-N 3.04Å; R102-G104 PolarHBondContact O-N 3.05Å; G104-R158 WeakPolarHBondContact O-CD 3.41Å; G104-R158 PolarHBondContact O-NH1 2.81Å
105	G	97.8	Very high	97.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.01	17%	0.173	C	C	.	.			trans	-63.5	147.1	171.9	0	0	0	0	0	111.9	W70 S100 R158	W70-G105 CarbonylContact O-C 3.58Å; W70-G105 WeakPolarHBondContact O-CA 3.37Å; S100-G105 PolarHBondContact O-N 3.11Å; G105-R158 WeakPolarHBondContact O-CB 3.35Å
106	F	98.2	Very high	97.7	Very high	14 Å²	14	34.8 Å²	34.8	6%	0.061	17%	0.17	C	C	.	.	S	Bend	trans	-79.3	-33.6	172.9	-72.7	-87.9	0	0	0	111.7	E68 W70 L156 R158 D159	E68-F106 HydrophobicContact CB-CD1 4.26Å; E68-F106 HydrophobicContact CB-CE1 3.97Å; E68-F106 HydrophobicContact CB-CE2 4.3Å; E68-F106 HydrophobicContact CB-CZ 3.99Å; E68-F106 HydrophobicContact CG-CE1 4.03Å; E68-F106 HydrophobicContact CG-CZ 3.98Å; W70-F106 HydrophobicContact CB-CD2 4.13Å; W70-F106 HydrophobicContact CB-CE2 4.34Å; W70-F106 WeakPolarHBondContact O-CD2 3.34Å; W70-F106 PolarHBondContact O-N 2.79Å; F106-L156 PolarHBondContact O-N 3.36Å; F106-R158 HydrophobicContact CD1-CB 4.34Å; F106-R158 HydrophobicContact CD1-CG 3.84Å; F106-R158 HydrophobicContact CE1-CG 3.76Å; F106-R158 HydrophobicContact CG-CG 4.4Å; F106-R158 HydrophobicContact CZ-CG 4.24Å; F106-D159 HydrophobicContact CB-CB 4.31Å; F106-D159 HydrophobicContact CD1-CB 4.31Å; F106-D159 VanDerWaalsContact O-CB 3.24Å; F106-D159 WeakPolarHBondContact O-CB 3.44Å
107	F	98.5	Very high	97.6	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.018	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	173	179.5	56.3	-84.4	0	0	0	111	H71 G72 D109 R153 K154 S164	H71-F107 WeakPolarHBondContact CA-O 3.21Å; H71-F107 HydrophobicContact CB-CD1 3.99Å; H71-F107 HydrophobicContact CB-CD2 3.62Å; H71-F107 HydrophobicContact CB-CE1 3.87Å; H71-F107 HydrophobicContact CB-CE2 3.48Å; H71-F107 VanDerWaalsContact CB-CE2 3.48Å; H71-F107 HydrophobicContact CB-CG 3.87Å; H71-F107 HydrophobicContact CB-CZ 3.61Å; H71-F107 WeakPolarHBondContact CB-O 3.37Å; H71-F107 AromaticContact CD2-CE2 3.61Å; H71-F107 AromaticContact CG-CE2 3.38Å; H71-F107 AromaticContact CG-CZ 3.54Å; H71-F107 AromaticContact ND1-CE2 3.89Å; H71-F107 AromaticContact ND1-CZ 3.63Å; G72-F107 PolarHBondContact N-O 2.89Å; G72-F107 VanDerWaalsContact N-O 3.11Å; F107-D109 HydrophobicContact CD2-CB 4.02Å; F107-D109 HydrophobicContact CE2-CB 3.97Å; F107-R153 HydrophobicContact CD2-CG 4.23Å; F107-R153 HydrophobicContact CE2-CG 4.47Å; F107-K154 CarbonylContact C-O 3.57Å; F107-K154 WeakPolarHBondContact CA-O 3.46Å; F107-K154 VanDerWaalsContact CB-O 3.28Å; F107-K154 WeakPolarHBondContact CB-O 3.48Å; F107-S164 WeakPolarHBondContact CB-OG 3.44Å
108	V	98.7	Very high	97.5	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.5	160.1	177.6	0	0	0	0	108.4	G72 V74 L96 E97 Y128 R153 K154 L156	G72-V108 CarbonylContact O-C 3.49Å; G72-V108 WeakPolarHBondContact O-CA 3.47Å; V74-V108 HydrophobicContact CG2-CG1 3.89Å; L96-V108 HydrophobicContact CD2-CG1 3.6Å; L96-V108 HydrophobicContact CD2-CG2 4.25Å; E97-V108 HydrophobicContact CG-CG2 4.17Å; V108-Y128 HydrophobicContact CB-CE1 4.21Å; V108-Y128 HydrophobicContact CG1-CE1 4.06Å; V108-Y128 WeakPolarHBondContact CG1-OH 3.19Å; V108-R153 CarbonylContact O-C 3.57Å; V108-R153 WeakPolarHBondContact O-CA 3.28Å; V108-K154 PolarHBondContact N-O 3.45Å; V108-K154 PolarHBondContact O-N 2.92Å; V108-L156 HydrophobicContact CG2-CD1 4Å; V108-L156 HydrophobicContact CG2-CD2 4.11Å; V108-L156 HydrophobicContact CG2-CG 4.25Å
109	D	98.4	Very high	97.4	Very high	7 Å²	7	39.4 Å²	39.4	4%	0.037	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	168.7	173.9	80.6	-10.8	0	0	0	113.4	H71 G72 H73 V74 F107 M152 R153	H71-D109 IonicContact CD2-OD1 3.91Å; H71-D109 PolarHBondContact CD2-OD1 2.84Å; H71-D109 VanDerWaalsContact CD2-OD1 3.23Å; H71-D109 IonicContact CD2-OD2 3.82Å; H71-D109 IonicContact NE2-OD1 3.8Å; H71-D109 PolarHBondContact NE2-OD1 3.25Å; H71-D109 IonicContact NE2-OD2 2.7Å; H71-D109 PolarHBondContact NE2-OD2 3.48Å; G72-D109 PolarHBondContact O-N 2.96Å; H73-D109 WeakPolarHBondContact CA-OD1 3.44Å; H73-D109 WeakPolarHBondContact CB-OD1 3.47Å; H73-D109 IonicContact CE1-OD1 2.7Å; H73-D109 IonicContact CG-OD1 3.68Å; H73-D109 IonicContact ND1-OD1 3.39Å; H73-D109 PolarHBondContact ND1-OD1 2.89Å; H73-D109 IonicContact ND1-OD2 3.49Å; V74-D109 PolarHBondContact N-O 3.07Å; 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 3.24Å; D109-R153 HydrophobicContact CB-CG 3.75Å
110	L	98.4	Very high	97.4	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	155.9	177.8	63.9	94	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 4.22Å; L110-V112 HydrophobicContact CD1-CB 3.86Å; L110-V112 HydrophobicContact CD1-CG1 3.93Å; L110-Y123 HydrophobicContact CD1-CD2 3.69Å; L110-Y123 HydrophobicContact CD1-CE1 4.5Å; L110-Y123 HydrophobicContact CD1-CE2 3.49Å; L110-Y123 VanDerWaalsContact CD1-CE2 3.49Å; L110-Y123 HydrophobicContact CD1-CG 4.27Å; L110-Y123 HydrophobicContact CD2-CD1 3.45Å; L110-Y123 VanDerWaalsContact CD2-CD1 3.45Å; L110-Y123 HydrophobicContact CD2-CD2 4.01Å; L110-Y123 HydrophobicContact CD2-CE1 3.32Å; L110-Y123 HydrophobicContact CD2-CE2 3.88Å; L110-Y123 HydrophobicContact CD2-CG 3.81Å; L110-Y123 HydrophobicContact CG-CE2 4.35Å; L110-Y128 HydrophobicContact CD2-CD1 3.89Å; L110-Y128 HydrophobicContact CD2-CE1 3.86Å; L110-Y128 HydrophobicContact CD2-CG 4.49Å; L110-D151 WeakPolarHBondContact O-CA 3.19Å; L110-M152 HydrophobicContact CD1-CB 3.99Å; L110-M152 HydrophobicContact CD1-CG 4.41Å; L110-M152 HydrophobicContact CG-CB 4.1Å; L110-M152 PolarHBondContact N-O 2.72Å; L110-M152 VanDerWaalsContact N-O 3.1Å; L110-M152 PolarHBondContact O-N 3.28Å
111	F	97.8	Very high	97.4	Very high	37 Å²	37	42.8 Å²	42.8	16%	0.162	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	136.1	166.4	-61.6	-66.5	0	0	0	110.5	H73 V134 Y137 Y138 A149 Y150 D151 I177	H73-F111 AromaticContact CE1-CD2 3.6Å; H73-F111 AromaticContact CE1-CE2 3.6Å; F111-V134 HydrophobicContact CD1-CG2 4.33Å; F111-V134 HydrophobicContact CE1-CG2 3.88Å; F111-Y137 HydrophobicContact CB-CD1 4.4Å; F111-Y137 HydrophobicContact CB-CE1 3.8Å; F111-Y137 HydrophobicContact CD1-CE2 4.33Å; F111-Y137 HydrophobicContact CD2-CE1 4.15Å; F111-Y137 AromaticContact CD2-CE2 3.96Å; F111-Y137 HydrophobicContact CD2-CE2 3.96Å; F111-Y137 AromaticContact CD2-CZ 3.48Å; F111-Y137 VanDerWaalsContact CD2-CZ 3.48Å; F111-Y137 WeakPolarHBondContact CD2-OH 3.32Å; F111-Y137 HydrophobicContact CE1-CE2 4.42Å; F111-Y137 HydrophobicContact CE2-CE2 4.05Å; F111-Y137 AromaticContact CE2-CZ 3.99Å; F111-Y137 AromaticContact CG-CE1 3.97Å; F111-Y137 HydrophobicContact CG-CE1 3.97Å; F111-Y137 HydrophobicContact CG-CE2 4.1Å; F111-Y137 AromaticContact CG-CZ 3.68Å; F111-Y137 HydrophobicContact CZ-CE2 4.3Å; F111-Y138 VanDerWaalsContact C-OH 3.29Å; F111-Y138 PolarHBondContact O-OH 3.44Å; F111-Y138 VanDerWaalsContact O-OH 3.13Å; F111-A149 HydrophobicContact CB-CB 4.29Å; F111-A149 HydrophobicContact CD1-CB 4.39Å; F111-Y150 WeakPolarHBondContact CA-O 3.04Å; F111-D151 HydrophobicContact CD1-CB 4.11Å; F111-D151 HydrophobicContact CE1-CB 3.79Å; F111-I177 HydrophobicContact CE1-CD1 4.15Å; F111-I177 HydrophobicContact CE2-CD1 4.29Å; F111-I177 HydrophobicContact CZ-CD1 3.6Å
112	V	97.4	Very high	97.4	Very high	6 Å²	6	41.9 Å²	41.9	4%	0.036	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	132.1	175.8	61.2	0	0	0	0	110.6	L110 V114 N116 A119 V120 Y123 A149 Y150 M152	L110-V112 HydrophobicContact CD1-CB 3.86Å; L110-V112 HydrophobicContact CD1-CG1 3.93Å; V112-V114 PolarHBondContact O-N 3.27Å; V112-N116 HydrophobicContact CG2-CB 4.27Å; V112-A119 HydrophobicContact CG2-CB 3.83Å; V112-V120 HydrophobicContact CG1-CG2 3.87Å; V112-V120 HydrophobicContact CG2-CG2 4.01Å; V112-Y123 HydrophobicContact CB-CE2 4.32Å; V112-Y123 HydrophobicContact CG2-CE2 4.32Å; V112-A149 CarbonylContact O-C 3.42Å; V112-A149 WeakPolarHBondContact O-CA 3.21Å; V112-Y150 PolarHBondContact N-O 3.32Å; V112-Y150 PolarHBondContact O-N 2.84Å; V112-M152 HydrophobicContact CG1-CG 4.01Å; V112-M152 HydrophobicContact CG1-SD 3.77Å
113	R	96.3	Very high	97.4	Very high	40 Å²	40	33.6 Å²	33.6	15%	0.151	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.8	127.7	171.5	-76.1	178.2	-177.2	-87.3	2.3	110.6	E25 S115 N116 Y138 E147	E25-R113 IonicContact OE1-CZ 3.63Å; E25-R113 IonicContact OE1-NH2 2.92Å; E25-R113 PolarHBondContact OE1-NH2 3.37Å; R113-S115 PolarHBondContact O-N 3.26Å; R113-N116 HydrophobicContact CB-CB 4.12Å; R113-N116 PolarHBondContact O-N 2.98Å; R113-Y138 HydrophobicContact CB-CD2 4.36Å; R113-Y138 HydrophobicContact CB-CE2 4.12Å; R113-Y138 HydrophobicContact CG-CD1 4.26Å; R113-Y138 HydrophobicContact CG-CD2 3.39Å; R113-Y138 HydrophobicContact CG-CE1 4.26Å; R113-Y138 HydrophobicContact CG-CE2 3.38Å; R113-Y138 HydrophobicContact CG-CG 3.85Å; R113-E147 WeakPolarHBondContact CB-OE1 3.21Å; R113-E147 VanDerWaalsContact CD-OE2 3.23Å; R113-E147 WeakPolarHBondContact CD-OE2 3.39Å; R113-E147 VanDerWaalsContact CG-OE2 3.29Å; R113-E147 WeakPolarHBondContact CG-OE2 3.44Å; R113-E147 IonicContact CZ-OE2 2.78Å; R113-E147 IonicContact NE-OE2 3.41Å; R113-E147 IonicContact NH1-OE2 3.91Å; R113-E147 PolarHBondContact NH1-OE2 3.13Å
114	V	95.8	Very high	97.4	Very high	35 Å²	35	35.4 Å²	35.4	21%	0.212	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.2	-179.3	172.5	0	0	0	0	111.5	V112 N116 Q117 E147 D148 Y150	V112-V114 PolarHBondContact O-N 3.27Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 3.28Å; V114-Q117 PolarHBondContact O-NE2 3.46Å; V114-E147 PolarHBondContact N-OE1 2.72Å; V114-D148 HydrophobicContact CG2-CB 3.92Å; V114-D148 WeakPolarHBondContact CG2-O 3.39Å; V114-D148 PolarHBondContact N-O 3.09Å; V114-D148 VanDerWaalsContact N-O 3.14Å; V114-Y150 HydrophobicContact CB-CE2 4.13Å; V114-Y150 HydrophobicContact CG1-CE2 3.84Å; V114-Y150 HydrophobicContact CG2-CD1 4.07Å; V114-Y150 HydrophobicContact CG2-CD2 3.93Å; V114-Y150 HydrophobicContact CG2-CE1 3.94Å; V114-Y150 HydrophobicContact CG2-CE2 3.79Å; V114-Y150 HydrophobicContact CG2-CG 4.07Å
115	S	95.1	Very high	97.5	Very high	77 Å²	77	42.4 Å²	42.4	54%	0.538	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-21.7	175.6	67.9	0	0	0	0	114	R113 Q117 E147	R113-S115 PolarHBondContact O-N 3.26Å; S115-Q117 PolarHBondContact O-N 3.23Å; S115-E147 WeakPolarHBondContact CB-OE1 3.41Å; S115-E147 PolarHBondContact N-OE1 3.41Å; S115-E147 PolarHBondContact OG-OE1 2.88Å
116	N	95.8	Very high	97.5	Very high	33 Å²	33	44.4 Å²	44.4	18%	0.176	23%	0.229	C	C	.	.			trans	-80.2	68.2	-177.1	-170.8	-7.5	0	0	0	111.9	L23 V112 R113 V114 V118 A119 V120	L23-N116 HydrophobicContact CD1-CB 4.33Å; V112-N116 HydrophobicContact CG2-CB 4.27Å; R113-N116 HydrophobicContact CB-CB 4.12Å; R113-N116 PolarHBondContact O-N 2.98Å; V114-N116 VanDerWaalsContact C-N 3.32Å; V114-N116 PolarHBondContact O-N 3.28Å; N116-V118 PolarHBondContact O-N 3.42Å; N116-V118 VanDerWaalsContact O-N 3.13Å; N116-A119 HydrophobicContact CB-CB 4.38Å; N116-A119 VanDerWaalsContact CG-CB 3.47Å; N116-A119 WeakPolarHBondContact ND2-CB 3.41Å; N116-A119 PolarHBondContact O-N 2.94Å; N116-A119 VanDerWaalsContact O-N 3.14Å; N116-A119 WeakPolarHBondContact OD1-CB 3.48Å; N116-A119 PolarHBondContact OD1-N 3.04Å; N116-A119 VanDerWaalsContact OD1-N 3.08Å; N116-V120 WeakPolarHBondContact O-CG2 3.48Å; N116-V120 PolarHBondContact O-N 3.13Å
117	Q	97.2	Very high	97.5	Very high	92 Å²	92	45.6 Å²	45.6	43%	0.43	25%	0.246	S	C	.	.	H	α-helix	trans	-60.9	-25	-178.2	-66.1	-60.1	-39.3	0	0	113.2	V114 S115 N121	V114-Q117 PolarHBondContact O-NE2 3.46Å; S115-Q117 PolarHBondContact O-N 3.23Å; Q117-N121 VanDerWaalsContact O-CB 3.26Å; Q117-N121 WeakPolarHBondContact O-CB 3.25Å; Q117-N121 PolarHBondContact O-N 3.33Å; Q117-N121 PolarHBondContact O-ND2 3.1Å
118	V	96.1	Very high	97.5	Very high	104 Å²	104	45.6 Å²	45.6	63%	0.63	25%	0.245	S	C	*	.	H	α-helix	trans	-66.5	-50.2	175.5	178.5	0	0	0	0	110.4	N116 M122	N116-V118 PolarHBondContact O-N 3.42Å; N116-V118 VanDerWaalsContact O-N 3.13Å; V118-M122 WeakPolarHBondContact O-CB 3.36Å; V118-M122 PolarHBondContact O-N 3.4Å; V118-M122 VanDerWaalsContact O-N 3.09Å
119	A	97.1	Very high	97.4	Very high	16 Å²	16	48 Å²	48	13%	0.132	26%	0.262	C	S	.	.	H	α-helix	trans	-68.1	-43.7	178	0	0	0	0	0	111.8	V112 N116 N121 M122 Y123	V112-A119 HydrophobicContact CG2-CB 3.83Å; N116-A119 HydrophobicContact CB-CB 4.38Å; N116-A119 VanDerWaalsContact CG-CB 3.47Å; N116-A119 WeakPolarHBondContact ND2-CB 3.41Å; N116-A119 PolarHBondContact O-N 2.94Å; N116-A119 VanDerWaalsContact O-N 3.14Å; N116-A119 WeakPolarHBondContact OD1-CB 3.48Å; N116-A119 PolarHBondContact OD1-N 3.04Å; N116-A119 VanDerWaalsContact OD1-N 3.08Å; A119-N121 VanDerWaalsContact C-N 3.31Å; A119-N121 PolarHBondContact O-N 2.95Å; A119-M122 WeakPolarHBondContact O-CB 3.11Å; A119-M122 PolarHBondContact O-N 2.92Å; A119-M122 VanDerWaalsContact O-N 3.13Å; A119-Y123 HydrophobicContact CB-CD2 4.38Å; A119-Y123 HydrophobicContact CB-CE2 4.07Å; A119-Y123 WeakPolarHBondContact O-CD2 3.46Å; A119-Y123 PolarHBondContact O-N 2.87Å
120	V	98.2	Very high	97.4	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-56	-46.4	177.3	171.8	0	0	0	0	111.2	V112 N116 Y123 K124 Y150 M152	V112-V120 HydrophobicContact CG1-CG2 3.87Å; V112-V120 HydrophobicContact CG2-CG2 4.01Å; N116-V120 WeakPolarHBondContact O-CG2 3.48Å; N116-V120 PolarHBondContact O-N 3.13Å; V120-Y123 PolarHBondContact O-N 3.22Å; V120-K124 HydrophobicContact CG1-CD 4.27Å; V120-K124 WeakPolarHBondContact O-CG 3.38Å; V120-K124 PolarHBondContact O-N 3Å; V120-Y150 HydrophobicContact CG2-CD2 4.05Å; V120-Y150 HydrophobicContact CG2-CE2 4.46Å; V120-M152 HydrophobicContact CG1-SD 4.48Å
121	N	98	Very high	97.3	Very high	79 Å²	79	51.2 Å²	51.2	42%	0.422	28%	0.279	S	S	.	.	H	α-helix	trans	-68.8	-36.5	179.2	-72.1	-37	0	0	0	112.4	Q117 A119 K124 Q125	Q117-N121 VanDerWaalsContact O-CB 3.26Å; Q117-N121 WeakPolarHBondContact O-CB 3.25Å; Q117-N121 PolarHBondContact O-N 3.33Å; Q117-N121 PolarHBondContact O-ND2 3.1Å; A119-N121 VanDerWaalsContact C-N 3.31Å; A119-N121 PolarHBondContact O-N 2.95Å; N121-K124 PolarHBondContact O-N 3.1Å; N121-Q125 WeakPolarHBondContact O-CG 3.38Å; N121-Q125 PolarHBondContact O-N 3.43Å
122	M	97.8	Very high	97.2	Very high	46 Å²	46	51.2 Å²	51.2	23%	0.227	28%	0.277	C	S	.	.	H	α-helix	trans	-60.4	-49.4	173	-179.4	-161.6	73.8	0	0	111	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 3.36Å; V118-M122 PolarHBondContact O-N 3.4Å; V118-M122 VanDerWaalsContact O-N 3.09Å; A119-M122 WeakPolarHBondContact O-CB 3.11Å; A119-M122 PolarHBondContact O-N 2.92Å; A119-M122 VanDerWaalsContact O-N 3.13Å; M122-K124 PolarHBondContact O-N 3.2Å; M122-Q125 WeakPolarHBondContact O-CB 3.29Å; M122-Q125 PolarHBondContact O-N 3.41Å; M122-Q125 VanDerWaalsContact O-N 3.13Å; M122-L126 HydrophobicContact CE-CD1 4.38Å; M122-L126 HydrophobicContact CG-CD1 4.25Å; M122-L126 WeakPolarHBondContact O-CG 3.4Å; M122-L126 PolarHBondContact O-N 3Å
123	Y	98.5	Very high	97.2	Very high	18 Å²	18	52.8 Å²	52.8	7%	0.071	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-40.5	179.4	-68.5	-52.8	0	0	0	112.3	L77 M93 L110 V112 A119 V120 Q125 L126 G127 Y128 M152	L77-Y123 HydrophobicContact CD2-CE1 4.19Å; M93-Y123 HydrophobicContact CE-CD1 4.22Å; M93-Y123 HydrophobicContact CE-CE1 3.89Å; M93-Y123 HydrophobicContact CG-CE1 4.37Å; M93-Y123 HydrophobicContact SD-CE1 3.95Å; L110-Y123 HydrophobicContact CD1-CD2 3.69Å; L110-Y123 HydrophobicContact CD1-CE1 4.5Å; L110-Y123 HydrophobicContact CD1-CE2 3.49Å; L110-Y123 VanDerWaalsContact CD1-CE2 3.49Å; L110-Y123 HydrophobicContact CD1-CG 4.27Å; L110-Y123 HydrophobicContact CD2-CD1 3.45Å; L110-Y123 VanDerWaalsContact CD2-CD1 3.45Å; L110-Y123 HydrophobicContact CD2-CD2 4.01Å; L110-Y123 HydrophobicContact CD2-CE1 3.32Å; L110-Y123 HydrophobicContact CD2-CE2 3.88Å; L110-Y123 HydrophobicContact CD2-CG 3.81Å; L110-Y123 HydrophobicContact CG-CE2 4.35Å; V112-Y123 HydrophobicContact CB-CE2 4.32Å; V112-Y123 HydrophobicContact CG2-CE2 4.32Å; A119-Y123 HydrophobicContact CB-CD2 4.38Å; A119-Y123 HydrophobicContact CB-CE2 4.07Å; A119-Y123 WeakPolarHBondContact O-CD2 3.46Å; A119-Y123 PolarHBondContact O-N 2.87Å; V120-Y123 PolarHBondContact O-N 3.22Å; Y123-Q125 VanDerWaalsContact C-N 3.32Å; Y123-Q125 PolarHBondContact O-N 3.08Å; Y123-L126 HydrophobicContact CD1-CD1 4.42Å; Y123-L126 CarbonylContact O-C 3.58Å; Y123-L126 PolarHBondContact O-N 3.1Å; Y123-L126 VanDerWaalsContact O-N 3.08Å; Y123-G127 PolarHBondContact O-N 3.44Å; Y123-Y128 HydrophobicContact CD1-CD2 4.38Å; Y123-Y128 WeakPolarHBondContact O-CB 3.48Å; Y123-Y128 WeakPolarHBondContact O-CD2 3.03Å; Y123-Y128 PolarHBondContact O-N 2.88Å; Y123-M152 HydrophobicContact CD2-SD 4.43Å
124	K	98.3	Very high	97.2	Very high	109 Å²	109	50.9 Å²	50.9	47%	0.474	28%	0.28	S	S	.	.	H	α-helix	trans	-57.7	-43.4	172	-73.5	177	179	175.8	0	112.3	V120 N121 M122 L126 G127 M152	V120-K124 HydrophobicContact CG1-CD 4.27Å; V120-K124 WeakPolarHBondContact O-CG 3.38Å; V120-K124 PolarHBondContact O-N 3Å; N121-K124 PolarHBondContact O-N 3.1Å; M122-K124 PolarHBondContact O-N 3.2Å; K124-L126 VanDerWaalsContact C-N 3.27Å; K124-L126 PolarHBondContact O-N 2.97Å; K124-G127 PolarHBondContact O-N 3.2Å; K124-G127 VanDerWaalsContact O-N 3.1Å; K124-M152 HydrophobicContact CG-CE 3.88Å
125	Q	98	Very high	97.1	Very high	170 Å²	170	51.5 Å²	51.5	79%	0.794	28%	0.281	S	S	*	.	H	α-helix	trans	-64.8	-30.9	176	-73.6	176.8	-16.5	0	0	112.8	N121 M122 Y123 G127	N121-Q125 WeakPolarHBondContact O-CG 3.38Å; N121-Q125 PolarHBondContact O-N 3.43Å; M122-Q125 WeakPolarHBondContact O-CB 3.29Å; M122-Q125 PolarHBondContact O-N 3.41Å; M122-Q125 VanDerWaalsContact O-N 3.13Å; Y123-Q125 VanDerWaalsContact C-N 3.32Å; Y123-Q125 PolarHBondContact O-N 3.08Å; Q125-G127 PolarHBondContact O-N 2.54Å
126	L	97.9	Very high	97	Very high	44 Å²	44	52 Å²	52	23%	0.23	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-2.7	174.5	-65.5	174.8	0	0	0	113.8	A90 M93 M122 Y123 K124 Y128 K154	A90-L126 HydrophobicContact CB-CD2 3.89Å; M93-L126 HydrophobicContact CB-CD1 4.1Å; M93-L126 HydrophobicContact CG-CD1 4.03Å; M122-L126 HydrophobicContact CE-CD1 4.38Å; M122-L126 HydrophobicContact CG-CD1 4.25Å; M122-L126 WeakPolarHBondContact O-CG 3.4Å; M122-L126 PolarHBondContact O-N 3Å; Y123-L126 HydrophobicContact CD1-CD1 4.42Å; Y123-L126 CarbonylContact O-C 3.58Å; Y123-L126 PolarHBondContact O-N 3.1Å; Y123-L126 VanDerWaalsContact O-N 3.08Å; K124-L126 VanDerWaalsContact C-N 3.27Å; K124-L126 PolarHBondContact O-N 2.97Å; L126-Y128 HydrophobicContact CB-CD2 3.98Å; L126-Y128 HydrophobicContact CB-CE2 4.12Å; L126-K154 WeakPolarHBondContact O-CE 3.46Å; L126-K154 PolarHBondContact O-NZ 2.86Å
127	G	98	Very high	96.8	Very high	39 Å²	39	54 Å²	54	40%	0.402	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.2	10.6	177	0	0	0	0	0	115.2	Y123 K124 Q125	Y123-G127 PolarHBondContact O-N 3.44Å; K124-G127 PolarHBondContact O-N 3.2Å; K124-G127 VanDerWaalsContact O-N 3.1Å; Q125-G127 PolarHBondContact O-N 2.54Å
128	Y	98.5	Very high	96.5	Very high	3 Å²	3	51.4 Å²	51.4	1%	0.012	27%	0.267	C	S	.	.			trans	-78.5	142.9	173.5	-68.3	-105.9	0	0	0	110.7	M93 E97 V108 L110 Y123 L126 M152 R153 K154	M93-Y128 HydrophobicContact CE-CE1 4.17Å; M93-Y128 HydrophobicContact CE-CE2 3.65Å; M93-Y128 WeakPolarHBondContact CE-OH 3.29Å; E97-Y128 WeakPolarHBondContact OE1-CE2 3.11Å; E97-Y128 PolarHBondContact OE1-OH 3.4Å; V108-Y128 HydrophobicContact CB-CE1 4.21Å; V108-Y128 HydrophobicContact CG1-CE1 4.06Å; V108-Y128 WeakPolarHBondContact CG1-OH 3.19Å; L110-Y128 HydrophobicContact CD2-CD1 3.89Å; L110-Y128 HydrophobicContact CD2-CE1 3.86Å; L110-Y128 HydrophobicContact CD2-CG 4.49Å; Y123-Y128 HydrophobicContact CD1-CD2 4.38Å; Y123-Y128 WeakPolarHBondContact O-CB 3.48Å; Y123-Y128 WeakPolarHBondContact O-CD2 3.03Å; Y123-Y128 PolarHBondContact O-N 2.88Å; L126-Y128 HydrophobicContact CB-CD2 3.98Å; L126-Y128 HydrophobicContact CB-CE2 4.12Å; Y128-M152 HydrophobicContact CD1-CB 4.5Å; Y128-R153 WeakPolarHBondContact CA-O 3.06Å; Y128-K154 HydrophobicContact CD1-CB 3.67Å; Y128-K154 HydrophobicContact CD2-CB 4.05Å; Y128-K154 HydrophobicContact CD2-CD 4.03Å; Y128-K154 HydrophobicContact CE1-CB 3.59Å; Y128-K154 HydrophobicContact CE2-CB 3.97Å; Y128-K154 HydrophobicContact CE2-CD 3.61Å; Y128-K154 HydrophobicContact CE2-CG 4.46Å; Y128-K154 HydrophobicContact CG-CB 3.87Å
129	S	97.6	Very high	96	Very high	51 Å²	51	51 Å²	51	36%	0.357	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.7	175.7	-60	0	0	0	0	109.7	Y131 M152 R153	S129-Y131 PolarHBondContact O-N 3.02Å; S129-M152 CarbonylContact O-C 3.59Å; S129-M152 VanDerWaalsContact O-CA 3.29Å; S129-M152 WeakPolarHBondContact O-CA 3.18Å; S129-R153 PolarHBondContact N-O 3.08Å; S129-R153 PolarHBondContact O-N 3.14Å
130	V	97.7	Very high	95.1	Very high	41 Å²	41	51.8 Å²	51.8	25%	0.248	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	116.9	173.8	179.4	0	0	0	0	108	Y150 M152	V130-Y150 HydrophobicContact CG1-CD1 3.59Å; V130-Y150 HydrophobicContact CG1-CE1 4.19Å; V130-Y150 HydrophobicContact CG1-CG 4.1Å; V130-Y150 HydrophobicContact CG2-CD1 4.27Å; V130-Y150 HydrophobicContact CG2-CD2 4.43Å; V130-Y150 HydrophobicContact CG2-CG 4.12Å; V130-M152 HydrophobicContact CG2-CE 4.2Å; V130-M152 HydrophobicContact CG2-CG 4.27Å; V130-M152 HydrophobicContact CG2-SD 4.48Å
131	Y	96.7	Very high	93.6	Very high	35 Å²	35	55.8 Å²	55.8	14%	0.137	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	-44.9	176.7	179.9	-109.9	0	0	0	110.9	S129 D151 R153 S164 I166 P167 I168	S129-Y131 PolarHBondContact O-N 3.02Å; Y131-D151 WeakPolarHBondContact CB-O 3.23Å; Y131-D151 WeakPolarHBondContact CD1-OD2 3.29Å; Y131-D151 PolarHBondContact N-O 2.88Å; Y131-R153 VanDerWaalsContact CD1-CZ 3.42Å; Y131-R153 VanDerWaalsContact CD1-NE 3.35Å; Y131-R153 VanDerWaalsContact CE1-NH1 3.29Å; Y131-R153 HydrophobicContact CG-CG 4.18Å; Y131-R153 VanDerWaalsContact CZ-NH1 3.35Å; Y131-S164 WeakPolarHBondContact CD2-O 3.43Å; Y131-S164 VanDerWaalsContact CE2-O 3.29Å; Y131-S164 WeakPolarHBondContact CE2-O 3.34Å; Y131-I166 VanDerWaalsContact CD2-O 3.23Å; Y131-I166 WeakPolarHBondContact CD2-O 2.81Å; Y131-I166 WeakPolarHBondContact CE2-O 3.2Å; Y131-P167 CarbonylContact O-C 3.5Å; Y131-P167 VanDerWaalsContact O-CA 3.27Å; Y131-P167 WeakPolarHBondContact O-CA 3.35Å; Y131-I168 HydrophobicContact CD1-CD1 4.46Å; Y131-I168 HydrophobicContact CE1-CD1 3.51Å; Y131-I168 HydrophobicContact CE1-CG1 3.96Å; Y131-I168 HydrophobicContact CE2-CD1 4.46Å; Y131-I168 HydrophobicContact CE2-CG1 4.19Å; Y131-I168 PolarHBondContact O-N 3.3Å; Y131-I168 WeakPolarHBondContact OH-CD1 3.02Å
132	R	95.7	Very high	92	Very high	37 Å²	37	59.9 Å²	59.9	14%	0.14	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	170.4	175	62.5	-178.8	126	-168	-0.9	111.3	V134 D151 R153 I168 V172	R132-V134 HydrophobicContact CG-CG2 4.49Å; R132-D151 HydrophobicContact CG-CB 3.58Å; R132-D151 IonicContact CZ-OD2 2.82Å; R132-D151 PolarHBondContact N-O 3.33Å; R132-D151 IonicContact NE-OD2 3.74Å; R132-D151 PolarHBondContact NE-OD2 3.04Å; R132-D151 IonicContact NH2-OD2 2.68Å; R132-D151 PolarHBondContact O-N 3.23Å; R132-R153 VanDerWaalsContact NH2-NH2 3.13Å; R132-I168 HydrophobicContact CB-CB 4.35Å; R132-V172 HydrophobicContact CG-CG2 4.48Å
133	T	96.8	Very high	90.5	Very high	39 Å²	39	61.5 Å²	61.5	24%	0.239	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.3	167.1	-54.7	0	0	0	0	109.1	D148 A149 P171 V172	T133-D148 HydrophobicContact CG2-CB 4.05Å; T133-A149 CarbonylContact C-O 3.52Å; T133-A149 WeakPolarHBondContact CA-O 3.26Å; T133-P171 VanDerWaalsContact O-CA 3.28Å; T133-P171 WeakPolarHBondContact O-CA 3.23Å; T133-V172 PolarHBondContact O-N 2.79Å
134	V	95.9	Very high	89.4	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	114.4	172.8	-168.3	0	0	0	0	108	F111 R132 Y137 D148 A149 D151 V172 P174 I177	F111-V134 HydrophobicContact CD1-CG2 4.33Å; F111-V134 HydrophobicContact CE1-CG2 3.88Å; R132-V134 HydrophobicContact CG-CG2 4.49Å; V134-Y137 HydrophobicContact CB-CD2 4.27Å; V134-Y137 HydrophobicContact CG1-CD2 3.81Å; V134-Y137 HydrophobicContact CG1-CG 4.34Å; V134-D148 CarbonylContact O-C 3.59Å; V134-D148 WeakPolarHBondContact O-CA 3.35Å; V134-A149 PolarHBondContact N-O 3.25Å; V134-A149 PolarHBondContact O-N 3.43Å; V134-D151 HydrophobicContact CG2-CB 4.45Å; V134-V172 CarbonylContact C-O 3.56Å; V134-V172 WeakPolarHBondContact CA-O 3.5Å; V134-V172 HydrophobicContact CG1-CG2 4.4Å; V134-V172 HydrophobicContact CG2-CG2 4.04Å; V134-P174 HydrophobicContact CG1-CG 4.03Å; V134-I177 HydrophobicContact CG1-CD1 4.42Å; V134-I177 HydrophobicContact CG2-CG2 4.49Å
135	I	94.4	Very high	88.7	Confident	47 Å²	47	67.9 Å²	67.9	24%	0.241	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	140.2	-175.3	-65.4	163.8	0	0	0	109.6	Y137 D148 P171 V172 P174	I135-Y137 PolarHBondContact O-N 2.96Å; I135-Y137 VanDerWaalsContact O-N 3.07Å; I135-D148 VanDerWaalsContact CA-OD1 3.28Å; I135-D148 WeakPolarHBondContact CA-OD1 2.91Å; I135-P171 HydrophobicContact CD1-CB 3.55Å; I135-P171 HydrophobicContact CD1-CG 3.68Å; I135-P171 HydrophobicContact CG1-CB 3.8Å; I135-P171 HydrophobicContact CG1-CG 4.42Å; I135-V172 PolarHBondContact N-O 2.82Å; I135-P174 WeakPolarHBondContact O-CD 3.23Å
136	E	92.9	Very high	88.3	Confident	89 Å²	89	63.5 Å²	63.5	42%	0.416	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.7	31.2	172.4	-65.6	164.7	177.3	0	0	113	D146 D148 R173	E136-D146 HydrophobicContact CB-CB 3.97Å; E136-D146 HydrophobicContact CG-CB 3.99Å; E136-D148 PolarHBondContact N-OD1 2.87Å; E136-R173 IonicContact OE2-NH2 3.17Å
137	Y	92.5	Very high	88.1	Confident	73 Å²	73	63.2 Å²	63.2	29%	0.286	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-43.2	-174.8	-179.8	-92.5	0	0	0	112.9	F111 V134 I135 E147 A149 P174 I177	F111-Y137 HydrophobicContact CB-CD1 4.4Å; F111-Y137 HydrophobicContact CB-CE1 3.8Å; F111-Y137 HydrophobicContact CD1-CE2 4.33Å; F111-Y137 HydrophobicContact CD2-CE1 4.15Å; F111-Y137 AromaticContact CD2-CE2 3.96Å; F111-Y137 HydrophobicContact CD2-CE2 3.96Å; F111-Y137 AromaticContact CD2-CZ 3.48Å; F111-Y137 VanDerWaalsContact CD2-CZ 3.48Å; F111-Y137 WeakPolarHBondContact CD2-OH 3.32Å; F111-Y137 HydrophobicContact CE1-CE2 4.42Å; F111-Y137 HydrophobicContact CE2-CE2 4.05Å; F111-Y137 AromaticContact CE2-CZ 3.99Å; F111-Y137 AromaticContact CG-CE1 3.97Å; F111-Y137 HydrophobicContact CG-CE1 3.97Å; F111-Y137 HydrophobicContact CG-CE2 4.1Å; F111-Y137 AromaticContact CG-CZ 3.68Å; F111-Y137 HydrophobicContact CZ-CE2 4.3Å; V134-Y137 HydrophobicContact CB-CD2 4.27Å; V134-Y137 HydrophobicContact CG1-CD2 3.81Å; V134-Y137 HydrophobicContact CG1-CG 4.34Å; I135-Y137 PolarHBondContact O-N 2.96Å; I135-Y137 VanDerWaalsContact O-N 3.07Å; Y137-E147 PolarHBondContact N-O 3.4Å; 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 4.23Å; Y137-I177 HydrophobicContact CD2-CD1 4.35Å; Y137-I177 HydrophobicContact CE2-CD1 3.98Å
138	Y	90.1	Very high	87.9	Confident	38 Å²	38	64.2 Å²	64.2	15%	0.149	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	108.2	176.9	-64.5	-80.3	0	0	0	109.5	F111 R113 A140 D146 E147 A149	F111-Y138 VanDerWaalsContact C-OH 3.29Å; F111-Y138 PolarHBondContact O-OH 3.44Å; 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 4.26Å; R113-Y138 HydrophobicContact CG-CD2 3.39Å; R113-Y138 HydrophobicContact CG-CE1 4.26Å; R113-Y138 HydrophobicContact CG-CE2 3.38Å; R113-Y138 HydrophobicContact CG-CG 3.85Å; Y138-A140 PolarHBondContact O-N 3.02Å; Y138-D146 WeakPolarHBondContact O-CA 3.44Å; Y138-E147 PolarHBondContact N-O 3.13Å; Y138-E147 PolarHBondContact O-N 3.44Å; Y138-A149 HydrophobicContact CD2-CB 4.07Å; Y138-A149 HydrophobicContact CE2-CB 3.55Å
139	S	86.1	Confident	87.9	Confident	96 Å²	96	64.1 Å²	64.1	67%	0.671	37%	0.372	S	S	*	.	P	Polyproline II helix	trans	-62.3	131.5	173.5	-53.3	0	0	0	0	110.4	D146	S139-D146 WeakPolarHBondContact CA-OD1 3.4Å
140	A	76.8	Confident	87.9	Confident	33 Å²	33	64.4 Å²	64.4	27%	0.273	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-73.4	135.7	175.6	0	0	0	0	0	111.7	Y138 E144 D146	Y138-A140 PolarHBondContact O-N 3.02Å; A140-E144 VanDerWaalsContact CB-C 3.42Å; A140-E144 HydrophobicContact CB-CB 3.85Å; A140-E144 WeakPolarHBondContact CB-O 3.2Å; A140-D146 PolarHBondContact N-OD1 3.01Å
141	S	67.5	Low	87.9	Confident	84 Å²	84	62.5 Å²	62.5	59%	0.587	35%	0.354	S	S	*	.	S	Bend	trans	-89.6	139.1	162.3	50.6	0	0	0	0	109.8
142	N	63.8	Low	88	Confident	165 Å²	165	60.8 Å²	60.8	88%	0.882	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.1	31	171.4	-50.1	-38.7	0	0	0	117.2	E144	N142-E144 VanDerWaalsContact C-N 3.35Å; N142-E144 PolarHBondContact O-N 3.48Å
143	G	66.1	Low	88.1	Confident	81 Å²	81	60 Å²	60	84%	0.835	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.5	11.3	169.4	0	0	0	0	0	115.2
144	E	77.1	Confident	88.2	Confident	143 Å²	143	60.5 Å²	60.5	67%	0.668	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-68.3	159.8	162.3	-67.8	-171.7	167.2	0	0	110.4	A140 N142	A140-E144 VanDerWaalsContact CB-C 3.42Å; A140-E144 HydrophobicContact CB-CB 3.85Å; A140-E144 WeakPolarHBondContact CB-O 3.2Å; N142-E144 VanDerWaalsContact C-N 3.35Å; N142-E144 PolarHBondContact O-N 3.48Å
145	P	82.8	Confident	88.3	Confident	117 Å²	117	61.3 Å²	61.3	76%	0.76	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-71.1	144.9	171.8	29.5	-33.6	0	0	0	110.6
146	D	89.4	Confident	88.4	Confident	78 Å²	78	59.6 Å²	59.6	42%	0.417	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-56.2	147.8	170.3	-65	-28	0	0	0	110.5	E136 Y138 S139 A140	E136-D146 HydrophobicContact CB-CB 3.97Å; E136-D146 HydrophobicContact CG-CB 3.99Å; Y138-D146 WeakPolarHBondContact O-CA 3.44Å; S139-D146 WeakPolarHBondContact CA-OD1 3.4Å; A140-D146 PolarHBondContact N-OD1 3.01Å
147	E	92.9	Very high	88.7	Confident	38 Å²	38	59.6 Å²	59.6	18%	0.178	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.3	-174.4	-163.8	-170.9	172.6	0	0	111.9	R113 V114 S115 Y137 Y138	R113-E147 WeakPolarHBondContact CB-OE1 3.21Å; R113-E147 VanDerWaalsContact CD-OE2 3.23Å; R113-E147 WeakPolarHBondContact CD-OE2 3.39Å; R113-E147 VanDerWaalsContact CG-OE2 3.29Å; R113-E147 WeakPolarHBondContact CG-OE2 3.44Å; R113-E147 IonicContact CZ-OE2 2.78Å; R113-E147 IonicContact NE-OE2 3.41Å; R113-E147 IonicContact NH1-OE2 3.91Å; R113-E147 PolarHBondContact NH1-OE2 3.13Å; V114-E147 PolarHBondContact N-OE1 2.72Å; S115-E147 WeakPolarHBondContact CB-OE1 3.41Å; S115-E147 PolarHBondContact N-OE1 3.41Å; S115-E147 PolarHBondContact OG-OE1 2.88Å; Y137-E147 PolarHBondContact N-O 3.4Å; Y138-E147 PolarHBondContact N-O 3.13Å; Y138-E147 PolarHBondContact O-N 3.44Å
148	D	95.6	Very high	88.8	Confident	61 Å²	61	61 Å²	61	33%	0.326	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	151.9	172.6	-63.4	-8.2	0	0	0	111.8	V114 T133 V134 I135 E136	V114-D148 HydrophobicContact CG2-CB 3.92Å; V114-D148 WeakPolarHBondContact CG2-O 3.39Å; V114-D148 PolarHBondContact N-O 3.09Å; V114-D148 VanDerWaalsContact N-O 3.14Å; T133-D148 HydrophobicContact CG2-CB 4.05Å; V134-D148 CarbonylContact O-C 3.59Å; V134-D148 WeakPolarHBondContact O-CA 3.35Å; I135-D148 VanDerWaalsContact CA-OD1 3.28Å; I135-D148 WeakPolarHBondContact CA-OD1 2.91Å; E136-D148 PolarHBondContact N-OD1 2.87Å
149	A	96.8	Very high	89.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	145.5	172.1	0	0	0	0	0	111.4	F111 V112 T133 V134 Y137 Y138	F111-A149 HydrophobicContact CB-CB 4.29Å; F111-A149 HydrophobicContact CD1-CB 4.39Å; V112-A149 CarbonylContact O-C 3.42Å; V112-A149 WeakPolarHBondContact O-CA 3.21Å; T133-A149 CarbonylContact C-O 3.52Å; T133-A149 WeakPolarHBondContact CA-O 3.26Å; V134-A149 PolarHBondContact N-O 3.25Å; V134-A149 PolarHBondContact O-N 3.43Å; Y137-A149 HydrophobicContact CD1-CB 3.66Å; Y137-A149 HydrophobicContact CG-CB 3.72Å; Y138-A149 HydrophobicContact CD2-CB 4.07Å; Y138-A149 HydrophobicContact CE2-CB 3.55Å
150	Y	97.8	Very high	89.5	Confident	57 Å²	57	61 Å²	61	22%	0.224	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	126.1	157.3	-66.1	-49.3	0	0	0	109.5	F111 V112 V114 V120 V130 M152	F111-Y150 WeakPolarHBondContact CA-O 3.04Å; V112-Y150 PolarHBondContact N-O 3.32Å; V112-Y150 PolarHBondContact O-N 2.84Å; V114-Y150 HydrophobicContact CB-CE2 4.13Å; V114-Y150 HydrophobicContact CG1-CE2 3.84Å; V114-Y150 HydrophobicContact CG2-CD1 4.07Å; V114-Y150 HydrophobicContact CG2-CD2 3.93Å; V114-Y150 HydrophobicContact CG2-CE1 3.94Å; V114-Y150 HydrophobicContact CG2-CE2 3.79Å; V114-Y150 HydrophobicContact CG2-CG 4.07Å; V120-Y150 HydrophobicContact CG2-CD2 4.05Å; V120-Y150 HydrophobicContact CG2-CE2 4.46Å; V130-Y150 HydrophobicContact CG1-CD1 3.59Å; V130-Y150 HydrophobicContact CG1-CE1 4.19Å; V130-Y150 HydrophobicContact CG1-CG 4.1Å; V130-Y150 HydrophobicContact CG2-CD1 4.27Å; V130-Y150 HydrophobicContact CG2-CD2 4.43Å; V130-Y150 HydrophobicContact CG2-CG 4.12Å; Y150-M152 PolarHBondContact O-N 2.96Å
151	D	97.7	Very high	90.4	Very high	1 Å²	1	65.9 Å²	65.9	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	106.7	157.9	175	-7.5	0	0	0	106.3	L110 F111 Y131 R132 V134 R153	L110-D151 WeakPolarHBondContact O-CA 3.19Å; F111-D151 HydrophobicContact CD1-CB 4.11Å; F111-D151 HydrophobicContact CE1-CB 3.79Å; Y131-D151 WeakPolarHBondContact CB-O 3.23Å; Y131-D151 WeakPolarHBondContact CD1-OD2 3.29Å; Y131-D151 PolarHBondContact N-O 2.88Å; R132-D151 HydrophobicContact CG-CB 3.58Å; R132-D151 IonicContact CZ-OD2 2.82Å; R132-D151 PolarHBondContact N-O 3.33Å; R132-D151 IonicContact NE-OD2 3.74Å; R132-D151 PolarHBondContact NE-OD2 3.04Å; R132-D151 IonicContact NH2-OD2 2.68Å; R132-D151 PolarHBondContact O-N 3.23Å; V134-D151 HydrophobicContact CG2-CB 4.45Å; D151-R153 WeakPolarHBondContact OD1-CG 3.41Å; D151-R153 IonicContact OD1-NE 3.97Å; D151-R153 PolarHBondContact OD1-NE 3.13Å; D151-R153 IonicContact OD2-CZ 3.04Å; D151-R153 IonicContact OD2-NE 2.65Å; D151-R153 PolarHBondContact OD2-NE 2.86Å; D151-R153 IonicContact OD2-NH2 3.88Å; D151-R153 PolarHBondContact OD2-NH2 3.4Å
152	M	98.4	Very high	91.7	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	132.8	179.5	-63.5	-163.8	67.1	0	0	110.1	D109 L110 V112 V120 Y123 K124 Y128 S129 V130 Y150	D109-M152 VanDerWaalsContact CA-O 3.25Å; D109-M152 WeakPolarHBondContact CA-O 3.24Å; L110-M152 HydrophobicContact CD1-CB 3.99Å; L110-M152 HydrophobicContact CD1-CG 4.41Å; L110-M152 HydrophobicContact CG-CB 4.1Å; L110-M152 PolarHBondContact N-O 2.72Å; L110-M152 VanDerWaalsContact N-O 3.1Å; L110-M152 PolarHBondContact O-N 3.28Å; V112-M152 HydrophobicContact CG1-CG 4.01Å; V112-M152 HydrophobicContact CG1-SD 3.77Å; V120-M152 HydrophobicContact CG1-SD 4.48Å; Y123-M152 HydrophobicContact CD2-SD 4.43Å; K124-M152 HydrophobicContact CG-CE 3.88Å; Y128-M152 HydrophobicContact CD1-CB 4.5Å; S129-M152 CarbonylContact O-C 3.59Å; S129-M152 VanDerWaalsContact O-CA 3.29Å; S129-M152 WeakPolarHBondContact O-CA 3.18Å; V130-M152 HydrophobicContact CG2-CE 4.2Å; V130-M152 HydrophobicContact CG2-CG 4.27Å; V130-M152 HydrophobicContact CG2-SD 4.48Å; Y150-M152 PolarHBondContact O-N 2.96Å
153	R	98.4	Very high	93.1	Very high	21 Å²	21	65.1 Å²	65.1	8%	0.079	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.7	-175.7	-62.5	-172.9	177.8	-167.4	-10.8	112.8	F107 V108 D109 Y128 S129 Y131 R132 D151 S164 I165	F107-R153 HydrophobicContact CD2-CG 4.23Å; F107-R153 HydrophobicContact CE2-CG 4.47Å; V108-R153 CarbonylContact O-C 3.57Å; V108-R153 WeakPolarHBondContact O-CA 3.28Å; D109-R153 HydrophobicContact CB-CG 3.75Å; Y128-R153 WeakPolarHBondContact CA-O 3.06Å; S129-R153 PolarHBondContact N-O 3.08Å; S129-R153 PolarHBondContact O-N 3.14Å; Y131-R153 VanDerWaalsContact CD1-CZ 3.42Å; Y131-R153 VanDerWaalsContact CD1-NE 3.35Å; Y131-R153 VanDerWaalsContact CE1-NH1 3.29Å; Y131-R153 HydrophobicContact CG-CG 4.18Å; Y131-R153 VanDerWaalsContact CZ-NH1 3.35Å; R132-R153 VanDerWaalsContact NH2-NH2 3.13Å; D151-R153 WeakPolarHBondContact OD1-CG 3.41Å; D151-R153 IonicContact OD1-NE 3.97Å; D151-R153 PolarHBondContact OD1-NE 3.13Å; D151-R153 IonicContact OD2-CZ 3.04Å; D151-R153 IonicContact OD2-NE 2.65Å; D151-R153 PolarHBondContact OD2-NE 2.86Å; D151-R153 IonicContact OD2-NH2 3.88Å; D151-R153 PolarHBondContact OD2-NH2 3.4Å; R153-S164 WeakPolarHBondContact CD-O 3.35Å; R153-I165 HydrophobicContact CB-CG2 3.95Å
154	K	98.5	Very high	94.4	Very high	49 Å²	49	61.8 Å²	61.8	21%	0.213	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	115.3	169.6	178.9	175.6	173.9	178.2	0	109.2	E97 F107 V108 L126 Y128 L156	E97-K154 VanDerWaalsContact CD-NZ 3.26Å; E97-K154 IonicContact OE1-NZ 2.68Å; E97-K154 PolarHBondContact OE1-NZ 3.42Å; E97-K154 VanDerWaalsContact OE1-NZ 3.17Å; E97-K154 IonicContact OE2-NZ 3.29Å; E97-K154 PolarHBondContact OE2-NZ 2.99Å; F107-K154 CarbonylContact C-O 3.57Å; F107-K154 WeakPolarHBondContact CA-O 3.46Å; F107-K154 VanDerWaalsContact CB-O 3.28Å; F107-K154 WeakPolarHBondContact CB-O 3.48Å; V108-K154 PolarHBondContact N-O 3.45Å; V108-K154 PolarHBondContact O-N 2.92Å; L126-K154 WeakPolarHBondContact O-CE 3.46Å; L126-K154 PolarHBondContact O-NZ 2.86Å; Y128-K154 HydrophobicContact CD1-CB 3.67Å; Y128-K154 HydrophobicContact CD2-CB 4.05Å; Y128-K154 HydrophobicContact CD2-CD 4.03Å; Y128-K154 HydrophobicContact CE1-CB 3.59Å; Y128-K154 HydrophobicContact CE2-CB 3.97Å; Y128-K154 HydrophobicContact CE2-CD 3.61Å; Y128-K154 HydrophobicContact CE2-CG 4.46Å; Y128-K154 HydrophobicContact CG-CB 3.87Å; K154-L156 PolarHBondContact O-N 2.84Å
155	A	98.3	Very high	95.3	Very high	17 Å²	17	56.1 Å²	56.1	14%	0.14	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	133.8	174.5	0	0	0	0	0	110.4	D159 R162 I165	A155-D159 HydrophobicContact CB-CB 4.26Å; A155-R162 HydrophobicContact CB-CB 4.37Å; A155-R162 HydrophobicContact CB-CG 4.41Å; A155-I165 HydrophobicContact CB-CD1 4.49Å; A155-I165 HydrophobicContact CB-CG1 4.49Å; A155-I165 HydrophobicContact CB-CG2 3.92Å
156	L	98.1	Very high	95.8	Very high	11 Å²	11	55.7 Å²	55.7	6%	0.058	28%	0.275	C	S	.	.			trans	-94.1	174.9	173	-66.8	-175.1	0	0	0	110.5	E101 F106 V108 K154 R158 D159	E101-L156 HydrophobicContact CG-CD1 4.2Å; E101-L156 HydrophobicContact CG-CD2 3.96Å; E101-L156 HydrophobicContact CG-CG 4.43Å; E101-L156 WeakPolarHBondContact OE1-CA 3.29Å; E101-L156 WeakPolarHBondContact OE1-CB 3.46Å; F106-L156 PolarHBondContact O-N 3.36Å; V108-L156 HydrophobicContact CG2-CD1 4Å; V108-L156 HydrophobicContact CG2-CD2 4.11Å; V108-L156 HydrophobicContact CG2-CG 4.25Å; K154-L156 PolarHBondContact O-N 2.84Å; L156-R158 PolarHBondContact O-N 3.48Å; L156-D159 PolarHBondContact O-N 2.87Å
157	S	97.4	Very high	96	Very high	88 Å²	88	56 Å²	56	62%	0.615	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.7	-174.5	71.6	0	0	0	0	114.4	E101	E101-S157 PolarHBondContact OE1-N 2.97Å; E101-S157 WeakPolarHBondContact OE2-CB 3.37Å; E101-S157 PolarHBondContact OE2-OG 2.82Å
158	R	96.3	Very high	95.9	Very high	102 Å²	102	57 Å²	57	39%	0.385	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.5	178.8	-170.2	177.9	-178.5	172.5	1.1	113.3	G104 G105 F106 L156 T160	G104-R158 WeakPolarHBondContact O-CD 3.41Å; G104-R158 PolarHBondContact O-NH1 2.81Å; G105-R158 WeakPolarHBondContact O-CB 3.35Å; F106-R158 HydrophobicContact CD1-CB 4.34Å; F106-R158 HydrophobicContact CD1-CG 3.84Å; F106-R158 HydrophobicContact CE1-CG 3.76Å; F106-R158 HydrophobicContact CG-CG 4.4Å; F106-R158 HydrophobicContact CZ-CG 4.24Å; L156-R158 PolarHBondContact O-N 3.48Å; R158-T160 VanDerWaalsContact C-N 3.33Å; R158-T160 PolarHBondContact O-N 3.21Å; R158-T160 VanDerWaalsContact O-N 3.14Å
159	D	96	Very high	95.2	Very high	11 Å²	11	59.5 Å²	59.5	6%	0.059	31%	0.307	C	S	.	.			trans	-87.9	72	177.3	-177.5	15.6	0	0	0	110.5	F106 A155 L156 E161 R162 K163 S164	F106-D159 HydrophobicContact CB-CB 4.31Å; F106-D159 HydrophobicContact CD1-CB 4.31Å; F106-D159 VanDerWaalsContact O-CB 3.24Å; F106-D159 WeakPolarHBondContact O-CB 3.44Å; A155-D159 HydrophobicContact CB-CB 4.26Å; L156-D159 PolarHBondContact O-N 2.87Å; D159-E161 PolarHBondContact O-N 2.54Å; D159-R162 VanDerWaalsContact CG-CA 3.47Å; D159-R162 PolarHBondContact O-N 3.14Å; D159-R162 WeakPolarHBondContact OD1-CA 3.34Å; D159-R162 PolarHBondContact OD1-N 2.99Å; D159-R162 WeakPolarHBondContact OD2-CA 3.34Å; D159-K163 PolarHBondContact OD1-N 3.43Å; D159-K163 PolarHBondContact OD2-N 2.78Å; D159-S164 WeakPolarHBondContact OD2-CB 3.39Å; D159-S164 PolarHBondContact OD2-N 3.07Å; D159-S164 PolarHBondContact OD2-OG 2.92Å
160	T	94.3	Very high	94.8	Very high	123 Å²	123	66 Å²	66	76%	0.755	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-28.7	-175.2	54	0	0	0	0	113.5	R158	R158-T160 VanDerWaalsContact C-N 3.33Å; R158-T160 PolarHBondContact O-N 3.21Å; R158-T160 VanDerWaalsContact O-N 3.14Å
161	E	94.8	Very high	94.3	Very high	136 Å²	136	66.6 Å²	66.6	64%	0.636	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-5.3	178.4	-69.2	-179.6	-155.5	0	0	112.7	D159 K163	D159-E161 PolarHBondContact O-N 2.54Å; E161-K163 HydrophobicContact CB-CG 3.95Å; E161-K163 PolarHBondContact O-N 2.89Å; E161-K163 WeakPolarHBondContact OE2-CE 3.41Å; E161-K163 IonicContact OE2-NZ 3.62Å
162	R	95.3	Very high	94	Very high	147 Å²	147	67.7 Å²	67.7	56%	0.555	36%	0.355	S	S	*	.			trans	57	35.3	179.8	-47.2	-176.1	88.8	-176.9	6.1	112.3	A155 D159 S164 I165	A155-R162 HydrophobicContact CB-CB 4.37Å; A155-R162 HydrophobicContact CB-CG 4.41Å; D159-R162 VanDerWaalsContact CG-CA 3.47Å; D159-R162 PolarHBondContact O-N 3.14Å; D159-R162 WeakPolarHBondContact OD1-CA 3.34Å; D159-R162 PolarHBondContact OD1-N 2.99Å; D159-R162 WeakPolarHBondContact OD2-CA 3.34Å; R162-S164 VanDerWaalsContact C-N 3.26Å; R162-S164 PolarHBondContact O-N 3.17Å; R162-I165 HydrophobicContact CB-CD1 3.92Å; R162-I165 HydrophobicContact CB-CG1 3.87Å; R162-I165 WeakPolarHBondContact O-CG1 3.03Å; R162-I165 PolarHBondContact O-N 3.5Å
163	K	94.4	Very high	93.6	Very high	86 Å²	86	73.2 Å²	73.2	37%	0.374	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-63.7	-35	-179.2	-64.8	176.9	-167.6	165.4	0	111.6	E68 D159 E161 I165 I166	E68-K163 IonicContact OE1-NZ 4Å; E68-K163 IonicContact OE2-NZ 2.84Å; E68-K163 PolarHBondContact OE2-NZ 3.24Å; E68-K163 VanDerWaalsContact OE2-NZ 3.1Å; D159-K163 PolarHBondContact OD1-N 3.43Å; D159-K163 PolarHBondContact OD2-N 2.78Å; E161-K163 HydrophobicContact CB-CG 3.95Å; E161-K163 PolarHBondContact O-N 2.89Å; E161-K163 WeakPolarHBondContact OE2-CE 3.41Å; E161-K163 IonicContact OE2-NZ 3.62Å; K163-I165 PolarHBondContact O-N 2.99Å; K163-I166 PolarHBondContact O-N 3.31Å
164	S	92.9	Very high	93.1	Very high	11 Å²	11	74.2 Å²	74.2	8%	0.077	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-66.9	-17	-175.6	62.1	0	0	0	0	114.3	F107 Y131 R153 D159 R162	F107-S164 WeakPolarHBondContact CB-OG 3.44Å; Y131-S164 WeakPolarHBondContact CD2-O 3.43Å; Y131-S164 VanDerWaalsContact CE2-O 3.29Å; Y131-S164 WeakPolarHBondContact CE2-O 3.34Å; R153-S164 WeakPolarHBondContact CD-O 3.35Å; D159-S164 WeakPolarHBondContact OD2-CB 3.39Å; D159-S164 PolarHBondContact OD2-N 3.07Å; D159-S164 PolarHBondContact OD2-OG 2.92Å; R162-S164 VanDerWaalsContact C-N 3.26Å; R162-S164 PolarHBondContact O-N 3.17Å
165	I	95.1	Very high	92.5	Very high	25 Å²	25	77.7 Å²	77.7	13%	0.128	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-108.4	3.1	-178.5	63.6	165.2	0	0	0	113.2	R153 A155 R162 K163 P167	R153-I165 HydrophobicContact CB-CG2 3.95Å; A155-I165 HydrophobicContact CB-CD1 4.49Å; A155-I165 HydrophobicContact CB-CG1 4.49Å; A155-I165 HydrophobicContact CB-CG2 3.92Å; R162-I165 HydrophobicContact CB-CD1 3.92Å; R162-I165 HydrophobicContact CB-CG1 3.87Å; R162-I165 WeakPolarHBondContact O-CG1 3.03Å; R162-I165 PolarHBondContact O-N 3.5Å; K163-I165 PolarHBondContact O-N 2.99Å; I165-P167 VanDerWaalsContact O-CD 3.23Å; I165-P167 WeakPolarHBondContact O-CD 3.18Å
166	I	94.5	Very high	91.8	Very high	107 Å²	107	81.8 Å²	81.8	55%	0.549	42%	0.421	S	S	.	.	S	Bend	trans	-69.5	116	176.4	-60.8	175.9	0	0	0	108	Y131 K163 I168	Y131-I166 VanDerWaalsContact CD2-O 3.23Å; Y131-I166 WeakPolarHBondContact CD2-O 2.81Å; Y131-I166 WeakPolarHBondContact CE2-O 3.2Å; K163-I166 PolarHBondContact O-N 3.31Å; I166-I168 PolarHBondContact O-N 3.49Å
167	P	92.8	Very high	90.9	Very high	85 Å²	85	83.6 Å²	83.6	55%	0.552	43%	0.43	S	S	*	.			trans	-62.9	138.8	-173.5	-23.3	34.4	0	0	0	112.9	Y131 I165	Y131-P167 CarbonylContact O-C 3.5Å; Y131-P167 VanDerWaalsContact O-CA 3.27Å; Y131-P167 WeakPolarHBondContact O-CA 3.35Å; I165-P167 VanDerWaalsContact O-CD 3.23Å; I165-P167 WeakPolarHBondContact O-CD 3.18Å
168	I	90.3	Very high	89	Confident	60 Å²	60	91.3 Å²	91.3	31%	0.308	46%	0.457	S	S	.	.			trans	-87	126.1	169.1	-59.4	-180	0	0	0	108.1	Y131 R132 I166 H170	Y131-I168 HydrophobicContact CD1-CD1 4.46Å; Y131-I168 HydrophobicContact CE1-CD1 3.51Å; Y131-I168 HydrophobicContact CE1-CG1 3.96Å; Y131-I168 HydrophobicContact CE2-CD1 4.46Å; Y131-I168 HydrophobicContact CE2-CG1 4.19Å; Y131-I168 PolarHBondContact O-N 3.3Å; Y131-I168 WeakPolarHBondContact OH-CD1 3.02Å; R132-I168 HydrophobicContact CB-CB 4.35Å; I166-I168 PolarHBondContact O-N 3.49Å; I168-H170 VanDerWaalsContact C-N 3.33Å; I168-H170 PolarHBondContact O-N 2.82Å
169	P	82.1	Confident	88.7	Confident	112 Å²	112	90.8 Å²	90.8	73%	0.727	46%	0.46	S	S	*	.	S	Bend	trans	-75	-20.4	-173.2	26.2	-32.4	0	0	0	114.2
170	H	86.8	Confident	88.3	Confident	136 Å²	136	95 Å²	95	63%	0.63	48%	0.481	S	S	*	.	S	Bend	trans	-100.5	132	-177.3	-57.5	96.5	0	0	0	110.2	I168	I168-H170 VanDerWaalsContact C-N 3.33Å; I168-H170 PolarHBondContact O-N 2.82Å
171	P	87.5	Confident	87.9	Confident	71 Å²	71	93.4 Å²	93.4	46%	0.461	47%	0.466	S	S	.	.			trans	-66.7	153.4	172	31.4	-35.3	0	0	0	110.2	T133 I135	T133-P171 VanDerWaalsContact O-CA 3.28Å; T133-P171 WeakPolarHBondContact O-CA 3.23Å; I135-P171 HydrophobicContact CD1-CB 3.55Å; I135-P171 HydrophobicContact CD1-CG 3.68Å; I135-P171 HydrophobicContact CG1-CB 3.8Å; I135-P171 HydrophobicContact CG1-CG 4.42Å
172	V	91.9	Very high	87.5	Confident	24 Å²	24	90.9 Å²	90.9	15%	0.145	46%	0.456	C	S	.	.	B	Isolated β-bridge	trans	-123.4	166.4	-179.7	-58.6	0	0	0	0	110.2	R132 T133 V134 I135 D176 I177	R132-V172 HydrophobicContact CG-CG2 4.48Å; T133-V172 PolarHBondContact O-N 2.79Å; V134-V172 CarbonylContact C-O 3.56Å; V134-V172 WeakPolarHBondContact CA-O 3.5Å; V134-V172 HydrophobicContact CG1-CG2 4.4Å; V134-V172 HydrophobicContact CG2-CG2 4.04Å; I135-V172 PolarHBondContact N-O 2.82Å; V172-D176 HydrophobicContact CB-CB 4.11Å; V172-I177 HydrophobicContact CG2-CG2 3.69Å
173	R	90.1	Very high	87.1	Confident	115 Å²	115	87.4 Å²	87.4	43%	0.434	45%	0.45	S	S	.	.			trans	-99.5	163.8	172.3	-65.1	-175.1	161.8	-124.1	-18.6	111.4	E136 E175 D176	E136-R173 IonicContact OE2-NH2 3.17Å; R173-E175 HydrophobicContact CB-CG 4.04Å; R173-E175 WeakPolarHBondContact CB-OE2 3.27Å; R173-E175 WeakPolarHBondContact CD-OE1 3.37Å; R173-E175 IonicContact NH1-OE1 3.6Å; R173-E175 PolarHBondContact O-N 2.92Å; R173-D176 PolarHBondContact N-OD2 3.41Å; R173-D176 WeakPolarHBondContact O-CB 3.28Å; R173-D176 PolarHBondContact O-N 2.85Å
174	P	87.1	Confident	86.6	Confident	42 Å²	42	87.5 Å²	87.5	27%	0.273	46%	0.455	S	S	.	.	G	3₁₀ helix	trans	-58.6	-30.3	179	-26.1	37.4	0	0	0	113.5	V134 I135 Y137 D176 I177	V134-P174 HydrophobicContact CG1-CG 4.03Å; I135-P174 WeakPolarHBondContact O-CD 3.23Å; Y137-P174 HydrophobicContact CD2-CB 4.4Å; Y137-P174 HydrophobicContact CD2-CG 4.23Å; P174-D176 PolarHBondContact O-N 3.05Å; P174-I177 WeakPolarHBondContact O-CG1 3.28Å
175	E	87.1	Confident	86.1	Confident	122 Å²	122	93 Å²	93	57%	0.57	48%	0.482	S	S	*	.	G	3₁₀ helix	trans	-68.8	-15.6	174.5	56.9	-95.1	-144.6	0	0	114.5	R173	R173-E175 HydrophobicContact CB-CG 4.04Å; R173-E175 WeakPolarHBondContact CB-OE2 3.27Å; R173-E175 WeakPolarHBondContact CD-OE1 3.37Å; R173-E175 IonicContact NH1-OE1 3.6Å; R173-E175 PolarHBondContact O-N 2.92Å
176	D	82.8	Confident	85.4	Confident	103 Å²	103	98.2 Å²	98.2	55%	0.551	51%	0.51	S	S	*	.	G	3₁₀ helix	trans	-94.3	-2.2	-176.9	-58.8	-48.7	0	0	0	113.4	V172 R173 P174	V172-D176 HydrophobicContact CB-CB 4.11Å; R173-D176 PolarHBondContact N-OD2 3.41Å; R173-D176 WeakPolarHBondContact O-CB 3.28Å; R173-D176 PolarHBondContact O-N 2.85Å; P174-D176 PolarHBondContact O-N 3.05Å
177	I	79.6	Confident	84.7	Confident	50 Å²	50	97.5 Å²	97.5	26%	0.256	51%	0.506	S	S	.	.			trans	-108.8	-1.8	-173.1	56.5	163.4	0	0	0	114.5	F111 V134 Y137 V172 P174	F111-I177 HydrophobicContact CE1-CD1 4.15Å; F111-I177 HydrophobicContact CE2-CD1 4.29Å; F111-I177 HydrophobicContact CZ-CD1 3.6Å; V134-I177 HydrophobicContact CG1-CD1 4.42Å; V134-I177 HydrophobicContact CG2-CG2 4.49Å; Y137-I177 HydrophobicContact CD2-CD1 4.35Å; Y137-I177 HydrophobicContact CE2-CD1 3.98Å; V172-I177 HydrophobicContact CG2-CG2 3.69Å; P174-I177 WeakPolarHBondContact O-CG1 3.28Å
178	E	57.9	Low	83.9	Confident	250 Å²	250	98.6 Å²	98.6	100%	1.168	50%	0.502	S	S	*	.			trans	-80.3	0	177	-69.9	-168.6	160.1	0	0	114.7

Retrieved 178 of 178 residues in 147 ms (Link to these results)

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