A0A673W3A0_SALTR Loading...

Alpha/beta hydrolase domain-containing protein 17B

AlphaFold DB , UniProt , Accession A0A673W3A0, Species SALTR (Salmo trutta, Brown trout), Gene ABHD17B, Length 290 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.3	Very low	45.8	Very low	204 Å²	204	108 Å²	108	100%	1.005	59%	0.587	S	S	*	*				0	96.8	0	-81.2	161.8	37.6	0	0	109	H3	M1-H3 PolarHBondContact O-N 2.92Å
2	N	37.6	Very low	45.8	Very low	167 Å²	167	104.3 Å²	104.3	89%	0.893	57%	0.565	S	S	*	*			trans	-73.5	110	174.8	-75.9	-20.5	0	0	0	108.4	L4	N2-L4 PolarHBondContact O-N 3.11Å; N2-L4 VanDerWaalsContact O-N 3.11Å
3	H	42.1	Very low	45.9	Very low	166 Å²	166	106.8 Å²	106.8	77%	0.769	57%	0.568	S	S	*	*			trans	-70.8	102.9	174.6	-79	-75.9	0	0	0	109.3	M1 S5	M1-H3 PolarHBondContact O-N 2.92Å; H3-S5 PolarHBondContact O-N 2.97Å
4	L	51	Low	45.6	Very low	83 Å²	83	105.6 Å²	105.6	44%	0.435	57%	0.571	S	S	.	*			trans	-58.6	129.1	162.4	-74.2	162.7	0	0	0	108.3	N2 E8 L26	N2-L4 PolarHBondContact O-N 3.11Å; N2-L4 VanDerWaalsContact O-N 3.11Å; L4-E8 HydrophobicContact CD2-CB 4.35Å; L4-L26 HydrophobicContact CD2-CD1 4.3Å
5	S	53.3	Low	45.3	Very low	48 Å²	48	104.3 Å²	104.3	34%	0.336	57%	0.572	S	S	.	*			trans	-69.1	151.6	179.3	69.5	0	0	0	0	110.8	H3 S7 E8 L9	H3-S5 PolarHBondContact O-N 2.97Å; S5-S7 PolarHBondContact O-N 3.37Å; S5-S7 PolarHBondContact OG-OG 3.49Å; S5-E8 PolarHBondContact N-OE2 3.41Å; S5-E8 PolarHBondContact O-N 3.06Å; S5-E8 WeakPolarHBondContact OG-CG 3.49Å; S5-E8 PolarHBondContact OG-N 3.29Å; S5-E8 PolarHBondContact OG-OE2 2.98Å; S5-L9 PolarHBondContact O-N 3.35Å
6	L	45.4	Very low	44.8	Very low	149 Å²	149	105.4 Å²	105.4	78%	0.78	59%	0.586	S	S	*	*	H	α-helix	trans	-52.2	-27.3	171.7	-102.9	136.2	0	0	0	112.8	C10	L6-C10 WeakPolarHBondContact O-CB 3.24Å; L6-C10 PolarHBondContact O-N 2.71Å
7	S	45.4	Very low	44.9	Very low	77 Å²	77	106.5 Å²	106.5	54%	0.538	60%	0.598	S	S	.	*	H	α-helix	trans	-71.1	-35.6	176.6	79.4	0	0	0	0	113.3	S5 C10 C11	S5-S7 PolarHBondContact O-N 3.37Å; S5-S7 PolarHBondContact OG-OG 3.49Å; S7-C10 PolarHBondContact O-N 3.09Å; S7-C11 PolarHBondContact O-N 3.17Å; S7-C11 VanDerWaalsContact O-N 3.08Å; S7-C11 PolarHBondContact O-SG 2.71Å
8	E	50.3	Low	44.9	Very low	85 Å²	85	103.8 Å²	103.8	40%	0.397	59%	0.587	S	S	.	*	H	α-helix	trans	-73.5	-37.9	177.3	-71.7	163	138.1	0	0	111	L4 S5 C11 L12	L4-E8 HydrophobicContact CD2-CB 4.35Å; S5-E8 PolarHBondContact N-OE2 3.41Å; S5-E8 PolarHBondContact O-N 3.06Å; S5-E8 WeakPolarHBondContact OG-CG 3.49Å; S5-E8 PolarHBondContact OG-N 3.29Å; S5-E8 PolarHBondContact OG-OE2 2.98Å; E8-C11 PolarHBondContact O-N 2.92Å; E8-L12 PolarHBondContact O-N 2.78Å
9	L	51.5	Low	45.2	Very low	72 Å²	72	100.6 Å²	100.6	38%	0.377	57%	0.571	S	S	.	*	H	α-helix	trans	-62.3	-43.8	170	-80.4	154.6	0	0	0	111.7	S5 C11 L12 F13	S5-L9 PolarHBondContact O-N 3.35Å; L9-C11 VanDerWaalsContact C-N 3.32Å; L9-C11 PolarHBondContact O-N 3.1Å; L9-L12 WeakPolarHBondContact O-CB 3.18Å; L9-L12 PolarHBondContact O-N 2.88Å; L9-L12 VanDerWaalsContact O-N 3.15Å; L9-F13 HydrophobicContact CD2-CE2 4.07Å; L9-F13 WeakPolarHBondContact O-CD2 3.24Å; L9-F13 PolarHBondContact O-N 3.18Å
10	C	45.2	Very low	45.5	Very low	71 Å²	71	100.2 Å²	100.2	48%	0.48	57%	0.574	S	S	.	*	H	α-helix	trans	-63.9	-34.4	175.9	-86.2	0	0	0	0	113.2	L6 S7 L12 F13 C14	L6-C10 WeakPolarHBondContact O-CB 3.24Å; L6-C10 PolarHBondContact O-N 2.71Å; S7-C10 PolarHBondContact O-N 3.09Å; C10-L12 VanDerWaalsContact C-N 3.29Å; C10-L12 PolarHBondContact O-N 2.94Å; C10-F13 PolarHBondContact O-N 3.12Å; C10-C14 WeakPolarHBondContact O-CB 3.49Å; C10-C14 PolarHBondContact O-N 3.11Å
11	C	48.1	Very low	45.5	Very low	66 Å²	66	102.4 Å²	102.4	45%	0.446	58%	0.577	S	S	.	*	H	α-helix	trans	-69.6	-26.6	175.1	-69.2	0	0	0	0	113.1	S7 E8 L9 I22	S7-C11 PolarHBondContact O-N 3.17Å; S7-C11 VanDerWaalsContact O-N 3.08Å; S7-C11 PolarHBondContact O-SG 2.71Å; E8-C11 PolarHBondContact O-N 2.92Å; L9-C11 VanDerWaalsContact C-N 3.32Å; L9-C11 PolarHBondContact O-N 3.1Å; C11-I22 HydrophobicContact CB-CD1 4.04Å
12	L	44.9	Very low	46.1	Very low	63 Å²	63	94.9 Å²	94.9	33%	0.33	54%	0.541	S	S	.	.	H	α-helix	trans	-72.2	-34.3	174.6	-90.5	148.8	0	0	0	112.8	E8 L9 C10	E8-L12 PolarHBondContact O-N 2.78Å; L9-L12 WeakPolarHBondContact O-CB 3.18Å; L9-L12 PolarHBondContact O-N 2.88Å; L9-L12 VanDerWaalsContact O-N 3.15Å; C10-L12 VanDerWaalsContact C-N 3.29Å; C10-L12 PolarHBondContact O-N 2.94Å
13	F	47.2	Very low	46.8	Very low	137 Å²	137	88.9 Å²	88.9	60%	0.601	51%	0.511	S	S	*	.	H	α-helix	trans	-112.6	-21.9	-169.1	-65.5	-70.4	0	0	0	116	L9 C10	L9-F13 HydrophobicContact CD2-CE2 4.07Å; L9-F13 WeakPolarHBondContact O-CD2 3.24Å; L9-F13 PolarHBondContact O-N 3.18Å; C10-F13 PolarHBondContact O-N 3.12Å
14	C	42.5	Very low	47.5	Very low	91 Å²	91	82.1 Å²	82.1	62%	0.615	48%	0.482	S	S	*	.	S	Bend	trans	-107.4	-7.5	-169.4	-61.3	0	0	0	0	115.5	C10	C10-C14 WeakPolarHBondContact O-CB 3.49Å; C10-C14 PolarHBondContact O-N 3.11Å
15	C	40.6	Very low	47.7	Very low	86 Å²	86	86.1 Å²	86.1	58%	0.581	50%	0.496	S	S	*	.	S	Bend	trans	-139.7	91.2	-176.9	-71.4	0	0	0	0	113.1
16	P	36.8	Very low	48	Very low	122 Å²	122	88.7 Å²	88.7	79%	0.792	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	130.8	166.5	30.4	-29.1	0	0	0	109.5
17	P	46.7	Very low	49.5	Very low	123 Å²	123	82.7 Å²	82.7	80%	0.799	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	cis	-124	92.9	18.3	36.2	-16.6	0	0	0	112.8
18	C	45.7	Very low	51.5	Low	59 Å²	59	79.4 Å²	79.4	40%	0.399	45%	0.453	S	S	.	.			trans	-125.2	11.1	169.9	-102.7	0	0	0	0	118.7	S20	C18-S20 PolarHBondContact O-N 2.72Å
19	P	50.8	Low	53.5	Low	42 Å²	42	80.1 Å²	80.1	27%	0.273	46%	0.459	S	S	.	.	H	α-helix	trans	-60.1	-43.2	-179.7	-22.8	30.7	0	0	0	114	K21 I22 T23	P19-K21 VanDerWaalsContact C-N 3.33Å; P19-K21 PolarHBondContact O-N 3.1Å; P19-I22 PolarHBondContact O-N 3.24Å; P19-T23 PolarHBondContact O-N 2.95Å; P19-T23 PolarHBondContact O-OG1 2.98Å; P19-T23 VanDerWaalsContact O-OG1 3.06Å
20	S	50.3	Low	55.5	Low	92 Å²	92	79.2 Å²	79.2	64%	0.643	46%	0.458	S	S	*	.	H	α-helix	trans	-61.3	-33.3	-169.6	61.8	0	0	0	0	115.1	C18 S24	C18-S20 PolarHBondContact O-N 2.72Å; S20-S24 WeakPolarHBondContact O-CB 3.34Å; S20-S24 PolarHBondContact O-N 2.84Å; S20-S24 PolarHBondContact O-OG 3.42Å; S20-S24 VanDerWaalsContact O-OG 3.06Å
21	K	45.4	Very low	57.8	Low	147 Å²	147	77.3 Å²	77.3	64%	0.639	44%	0.444	S	S	*	.	H	α-helix	trans	-76.9	-30.9	-179.4	-75.2	-177.8	-179.5	173	0	113.2	P19 S24 K25	P19-K21 VanDerWaalsContact C-N 3.33Å; P19-K21 PolarHBondContact O-N 3.1Å; K21-S24 WeakPolarHBondContact CA-OG 3.33Å; K21-S24 PolarHBondContact O-OG 3.19Å; K21-K25 WeakPolarHBondContact O-CG 3.48Å; K21-K25 PolarHBondContact O-N 3.32Å
22	I	47.8	Very low	60.1	Low	46 Å²	46	80.8 Å²	80.8	24%	0.236	45%	0.454	C	S	.	.	H	α-helix	trans	-81.2	-47.5	179.6	-61.1	174.5	0	0	0	108.6	C11 P19 S24 K25 L26	C11-I22 HydrophobicContact CB-CD1 4.04Å; P19-I22 PolarHBondContact O-N 3.24Å; I22-S24 VanDerWaalsContact C-N 3.28Å; I22-S24 PolarHBondContact O-N 3.37Å; I22-K25 PolarHBondContact O-N 3.35Å; I22-L26 HydrophobicContact CG2-CD1 3.94Å; I22-L26 PolarHBondContact O-N 2.88Å
23	T	51.6	Low	62.6	Low	42 Å²	42	80.3 Å²	80.3	26%	0.258	46%	0.455	S	S	.	.	H	α-helix	trans	-58.7	-39.6	174.1	-51.6	0	0	0	0	111.5	P19 K25 L26 A27 A213	P19-T23 PolarHBondContact O-N 2.95Å; P19-T23 PolarHBondContact O-OG1 2.98Å; P19-T23 VanDerWaalsContact O-OG1 3.06Å; T23-K25 VanDerWaalsContact C-N 3.34Å; T23-K25 PolarHBondContact O-N 2.95Å; T23-L26 PolarHBondContact O-N 3.29Å; T23-A27 WeakPolarHBondContact O-CB 3.2Å; T23-A27 PolarHBondContact O-N 3.03Å; T23-A213 HydrophobicContact CG2-CB 3.71Å
24	S	56.2	Low	65	Low	23 Å²	23	73.9 Å²	73.9	16%	0.161	43%	0.427	C	S	.	.	H	α-helix	trans	-65.5	-34.1	175.1	64.9	0	0	0	0	113.6	S20 K21 I22 F28	S20-S24 WeakPolarHBondContact O-CB 3.34Å; S20-S24 PolarHBondContact O-N 2.84Å; S20-S24 PolarHBondContact O-OG 3.42Å; S20-S24 VanDerWaalsContact O-OG 3.06Å; K21-S24 WeakPolarHBondContact CA-OG 3.33Å; K21-S24 PolarHBondContact O-OG 3.19Å; I22-S24 VanDerWaalsContact C-N 3.28Å; I22-S24 PolarHBondContact O-N 3.37Å; S24-F28 WeakPolarHBondContact O-CB 3.3Å; S24-F28 WeakPolarHBondContact O-CD2 3.44Å; S24-F28 PolarHBondContact O-N 2.99Å
25	K	56.3	Low	67.7	Low	167 Å²	167	69.8 Å²	69.8	73%	0.726	40%	0.398	S	S	*	.	H	α-helix	trans	-75.5	-28.9	179.2	-82.8	-174.6	174.8	-170.9	0	113	K21 I22 T23	K21-K25 WeakPolarHBondContact O-CG 3.48Å; K21-K25 PolarHBondContact O-N 3.32Å; I22-K25 PolarHBondContact O-N 3.35Å; T23-K25 VanDerWaalsContact C-N 3.34Å; T23-K25 PolarHBondContact O-N 2.95Å
26	L	60.2	Low	70.4	Confident	103 Å²	103	69.4 Å²	69.4	54%	0.539	39%	0.393	S	S	.	.	H	α-helix	trans	-88.8	-32.2	179.6	-66.7	172.3	0	0	0	112.2	L4 I22 T23	L4-L26 HydrophobicContact CD2-CD1 4.3Å; I22-L26 HydrophobicContact CG2-CD1 3.94Å; I22-L26 PolarHBondContact O-N 2.88Å; T23-L26 PolarHBondContact O-N 3.29Å
27	A	75	Confident	73.2	Confident	23 Å²	23	64.6 Å²	64.6	19%	0.19	36%	0.361	C	S	.	.	H	α-helix	trans	-85.5	-25.9	-178	0	0	0	0	0	113.9	T23 N100 I171 F214	T23-A27 WeakPolarHBondContact O-CB 3.2Å; T23-A27 PolarHBondContact O-N 3.03Å; A27-N100 PolarHBondContact O-ND2 3.18Å; A27-I171 HydrophobicContact CB-CD1 4.46Å; A27-I171 WeakPolarHBondContact O-CD1 3.22Å; A27-F214 HydrophobicContact CB-CE2 3.8Å; A27-F214 HydrophobicContact CB-CZ 4.12Å
28	F	89.1	Confident	75.4	Confident	8 Å²	8	63.3 Å²	63.3	4%	0.035	35%	0.347	C	S	.	.			trans	-116.7	119.3	-177.2	-60.6	-75.9	0	0	0	110.7	S24 P30 Y130 P137 L142 I171 F214	S24-F28 WeakPolarHBondContact O-CB 3.3Å; S24-F28 WeakPolarHBondContact O-CD2 3.44Å; S24-F28 PolarHBondContact O-N 2.99Å; F28-P30 VanDerWaalsContact C-CD 3.46Å; F28-P30 WeakPolarHBondContact O-CD 3.48Å; F28-Y130 VanDerWaalsContact CA-OH 3.31Å; F28-Y130 WeakPolarHBondContact CA-OH 3.26Å; F28-Y130 HydrophobicContact CB-CE2 4.19Å; F28-Y130 WeakPolarHBondContact CB-OH 3.27Å; F28-Y130 HydrophobicContact CD1-CE2 4.21Å; F28-P137 HydrophobicContact CB-CB 3.57Å; F28-P137 HydrophobicContact CB-CG 3.62Å; F28-P137 HydrophobicContact CD1-CB 3.91Å; F28-P137 HydrophobicContact CD2-CB 3.72Å; F28-P137 HydrophobicContact CD2-CG 4.3Å; F28-P137 HydrophobicContact CE2-CB 4.35Å; F28-P137 HydrophobicContact CG-CB 3.48Å; F28-P137 VanDerWaalsContact CG-CB 3.48Å; F28-P137 HydrophobicContact CG-CG 4.07Å; F28-L142 HydrophobicContact CE1-CD1 3.73Å; F28-L142 HydrophobicContact CZ-CD1 4.02Å; F28-I171 HydrophobicContact CD1-CD1 3.68Å; F28-I171 HydrophobicContact CE1-CD1 3.4Å; F28-I171 HydrophobicContact CE1-CG1 4.27Å; F28-I171 HydrophobicContact CZ-CD1 4.03Å; F28-F214 HydrophobicContact CE2-CE1 4.3Å; F28-F214 AromaticContact CE2-CZ 3.77Å; F28-F214 HydrophobicContact CE2-CZ 3.77Å; F28-F214 AromaticContact CZ-CE1 3.9Å; F28-F214 HydrophobicContact CZ-CE1 3.9Å; F28-F214 AromaticContact CZ-CZ 3.62Å; F28-F214 HydrophobicContact CZ-CZ 3.62Å
29	L	92.4	Very high	77.6	Confident	100 Å²	100	63 Å²	63	52%	0.524	34%	0.344	S	S	.	.			trans	-122.4	69.7	179.4	-62.7	174	0	0	0	108.4	N100 A101 Y130	L29-N100 PolarHBondContact N-OD1 3.33Å; L29-A101 HydrophobicContact CB-CB 4.48Å; L29-A101 WeakPolarHBondContact O-CA 3.4Å; L29-A101 PolarHBondContact O-N 3.04Å; L29-Y130 PolarHBondContact N-OH 3.25Å; L29-Y130 VanDerWaalsContact N-OH 3.11Å
30	P	93.4	Very high	79.4	Confident	53 Å²	53	63.9 Å²	63.9	34%	0.344	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-57.3	130.9	175.7	23.6	-32.1	0	0	0	109.9	F28 G129 Y130	F28-P30 VanDerWaalsContact C-CD 3.46Å; F28-P30 WeakPolarHBondContact O-CD 3.48Å; P30-G129 WeakPolarHBondContact CB-O 3.46Å; P30-Y130 HydrophobicContact CB-CD1 3.93Å; P30-Y130 HydrophobicContact CB-CD2 3.74Å; P30-Y130 HydrophobicContact CB-CE1 4.01Å; P30-Y130 HydrophobicContact CB-CE2 3.79Å; P30-Y130 HydrophobicContact CB-CG 3.78Å; P30-Y130 HydrophobicContact CG-CD2 4.45Å; P30-Y130 HydrophobicContact CG-CE2 4.2Å
31	P	93.6	Very high	81	Confident	31 Å²	31	69.6 Å²	69.6	20%	0.201	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-71.5	165.9	174.9	32.6	-35.3	0	0	0	110.2	D103	P31-D103 HydrophobicContact CG-CB 4.08Å
32	E	95.7	Very high	82.8	Confident	138 Å²	138	66.4 Å²	66.4	65%	0.645	36%	0.36	S	S	*	.	S	Bend	trans	-57.6	128.9	161.5	-76.4	-64.4	147.4	0	0	109.1	T34 R53	E32-T34 PolarHBondContact O-N 3.06Å; E32-R53 VanDerWaalsContact CB-NH1 3.34Å
33	P	97.2	Very high	84.2	Confident	53 Å²	53	66.4 Å²	66.4	34%	0.344	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-53.2	130	-174.1	-29.2	35.4	0	0	0	112.4	R53 D103 G131	P33-R53 PolarHBondContact O-NH2 3.45Å; P33-D103 WeakPolarHBondContact CA-OD2 3.45Å; P33-G131 WeakPolarHBondContact CG-O 3.32Å
34	T	98	Very high	85.6	Confident	3 Å²	3	68.4 Å²	68.4	2%	0.018	39%	0.387	C	S	.	.	S	Bend	trans	-97.6	-1.4	178.7	76.2	0	0	0	0	112.5	E32 S51 R53 D103 G105 Q106	E32-T34 PolarHBondContact O-N 3.06Å; T34-S51 VanDerWaalsContact C-OG 3.32Å; T34-S51 WeakPolarHBondContact CA-OG 3.28Å; T34-S51 VanDerWaalsContact O-CB 3.3Å; T34-S51 WeakPolarHBondContact O-CB 3.43Å; T34-S51 PolarHBondContact O-N 2.78Å; T34-S51 PolarHBondContact O-OG 3.08Å; T34-R53 HydrophobicContact CG2-CB 4.01Å; T34-D103 PolarHBondContact N-OD2 3.32Å; T34-D103 PolarHBondContact OG1-OD1 3.43Å; T34-D103 PolarHBondContact OG1-OD2 2.54Å; T34-G105 WeakPolarHBondContact OG1-CA 3.16Å; T34-Q106 HydrophobicContact CG2-CG 3.44Å; T34-Q106 VanDerWaalsContact CG2-CG 3.44Å; T34-Q106 PolarHBondContact OG1-N 2.94Å
35	Y	98.1	Very high	87	Confident	5 Å²	5	75.7 Å²	75.7	2%	0.02	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	164.5	176.7	76.5	-75.9	0	0	0	111.8	L37 L48 H49 A80 D103 L104 G105 D126 A132	Y35-L37 HydrophobicContact CD2-CD2 3.91Å; Y35-L37 HydrophobicContact CD2-CG 4.04Å; Y35-L37 HydrophobicContact CE2-CD1 4.04Å; Y35-L37 HydrophobicContact CE2-CD2 3.86Å; Y35-L37 HydrophobicContact CE2-CG 3.65Å; Y35-L48 HydrophobicContact CD2-CD1 3.51Å; Y35-L48 HydrophobicContact CE2-CD1 4.4Å; Y35-L48 HydrophobicContact CG-CD1 4.04Å; Y35-H49 CarbonylContact C-O 3.59Å; Y35-H49 WeakPolarHBondContact CA-O 3.2Å; Y35-H49 WeakPolarHBondContact CB-O 3.45Å; Y35-A80 WeakPolarHBondContact OH-CB 3.49Å; Y35-D103 WeakPolarHBondContact CD1-OD2 3.1Å; Y35-D103 HydrophobicContact CE1-CB 4.16Å; Y35-L104 HydrophobicContact CE1-CB 3.85Å; Y35-G105 VanDerWaalsContact CD1-N 3.34Å; Y35-D126 WeakPolarHBondContact CE1-OD2 3.33Å; Y35-D126 VanDerWaalsContact CZ-OD2 3.22Å; Y35-D126 PolarHBondContact OH-OD2 2.97Å; Y35-A132 HydrophobicContact CE2-CB 3.84Å; Y35-A132 PolarHBondContact OH-N 3.49Å
36	T	97.4	Very high	88.8	Confident	77 Å²	77	70.3 Å²	70.3	47%	0.472	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.2	168.8	56.2	0	0	0	0	110	H49	T36-H49 PolarHBondContact N-O 3.33Å; T36-H49 PolarHBondContact O-N 3.5Å
37	L	96	Very high	90.4	Very high	21 Å²	21	68.5 Å²	68.5	11%	0.11	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	119.7	173.4	-60.2	-178.2	0	0	0	109	Y35 W46 L48 C68 M70 A80 A132	Y35-L37 HydrophobicContact CD2-CD2 3.91Å; Y35-L37 HydrophobicContact CD2-CG 4.04Å; Y35-L37 HydrophobicContact CE2-CD1 4.04Å; Y35-L37 HydrophobicContact CE2-CD2 3.86Å; Y35-L37 HydrophobicContact CE2-CG 3.65Å; L37-W46 HydrophobicContact CB-CE3 3.78Å; L37-W46 HydrophobicContact CB-CZ3 4.16Å; L37-L48 HydrophobicContact CD2-CB 4.27Å; L37-L48 HydrophobicContact CD2-CD1 3.75Å; L37-C68 HydrophobicContact CD1-CB 4.06Å; L37-C68 HydrophobicContact CD2-CB 3.46Å; L37-C68 VanDerWaalsContact CD2-CB 3.46Å; L37-C68 HydrophobicContact CG-CB 4.43Å; L37-M70 HydrophobicContact CD1-SD 3.83Å; L37-A80 HydrophobicContact CD1-CB 3.86Å; L37-A132 HydrophobicContact CD1-CB 4.42Å; L37-A132 HydrophobicContact CG-CB 4.34Å
38	L	92.9	Very high	91.4	Very high	96 Å²	96	68 Å²	68	50%	0.503	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.4	175.2	-58.7	-176.9	0	0	0	108.8	W46 T47	L38-W46 CarbonylContact O-C 3.47Å; L38-W46 WeakPolarHBondContact O-CA 3.18Å; L38-T47 PolarHBondContact N-O 3.02Å; L38-T47 PolarHBondContact O-N 3.2Å
39	C	92.1	Very high	91.8	Very high	52 Å²	52	71.5 Å²	71.5	35%	0.351	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.2	171.8	-150.3	0	0	0	0	109.2	G43 R45 W46	C39-G43 WeakPolarHBondContact SG-CA 3.43Å; C39-R45 WeakPolarHBondContact CA-O 3.19Å; C39-W46 HydrophobicContact CB-CD2 4.01Å; C39-W46 HydrophobicContact CB-CE3 3.74Å; C39-W46 HydrophobicContact CB-CH2 3.74Å; C39-W46 HydrophobicContact CB-CZ2 3.97Å; C39-W46 HydrophobicContact CB-CZ3 3.63Å; C39-W46 VanDerWaalsContact SG-CZ2 3.56Å
40	D	88.6	Confident	92	Very high	62 Å²	62	68.5 Å²	68.5	33%	0.332	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-67	167.3	169.2	75.7	-28.6	0	0	0	111.9	S42 G43 S44 R45	D40-S42 PolarHBondContact O-N 2.74Å; D40-S42 VanDerWaalsContact O-N 3.11Å; D40-S42 PolarHBondContact OD1-OG 3.18Å; D40-S42 VanDerWaalsContact OD1-OG 3.04Å; D40-S42 PolarHBondContact OD2-OG 3.47Å; D40-G43 PolarHBondContact O-N 3.23Å; D40-G43 PolarHBondContact OD1-N 3.34Å; D40-G43 VanDerWaalsContact OD1-N 3.1Å; D40-S44 PolarHBondContact OD1-N 3.08Å; D40-R45 HydrophobicContact CB-CB 4.31Å; D40-R45 PolarHBondContact N-O 3.01Å; D40-R45 PolarHBondContact OD1-N 3.45Å
41	E	84.3	Confident	92.1	Very high	211 Å²	211	68 Å²	68	99%	0.986	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.7	-179	-63.7	-176.4	169.6	0	0	112.9	G43	E41-G43 VanDerWaalsContact C-N 3.31Å
42	S	83.8	Confident	92	Very high	80 Å²	80	75.7 Å²	75.7	56%	0.559	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-14.7	178.4	80.7	0	0	0	0	113.7	D40 S44	D40-S42 PolarHBondContact O-N 2.74Å; D40-S42 VanDerWaalsContact O-N 3.11Å; D40-S42 PolarHBondContact OD1-OG 3.18Å; D40-S42 VanDerWaalsContact OD1-OG 3.04Å; D40-S42 PolarHBondContact OD2-OG 3.47Å; S42-S44 PolarHBondContact O-N 3.09Å; S42-S44 WeakPolarHBondContact OG-CB 3.33Å; S42-S44 PolarHBondContact OG-N 3.15Å; S42-S44 PolarHBondContact OG-OG 3.39Å
43	G	77.3	Confident	92	Very high	47 Å²	47	75.7 Å²	75.7	49%	0.485	40%	0.4	S	S	.	.	S	Bend	trans	76	4.8	-175.9	0	0	0	0	0	114.3	C39 D40 E41	C39-G43 WeakPolarHBondContact SG-CA 3.43Å; D40-G43 PolarHBondContact O-N 3.23Å; D40-G43 PolarHBondContact OD1-N 3.34Å; D40-G43 VanDerWaalsContact OD1-N 3.1Å; E41-G43 VanDerWaalsContact C-N 3.31Å
44	S	79.6	Confident	91.8	Very high	84 Å²	84	73.3 Å²	73.3	59%	0.587	38%	0.384	S	S	*	.	S	Bend	trans	-103.4	-27.2	-168.8	73.8	0	0	0	0	113.3	D40 S42	D40-S44 PolarHBondContact OD1-N 3.08Å; S42-S44 PolarHBondContact O-N 3.09Å; S42-S44 WeakPolarHBondContact OG-CB 3.33Å; S42-S44 PolarHBondContact OG-N 3.15Å; S42-S44 PolarHBondContact OG-OG 3.39Å
45	R	87.1	Confident	91.6	Very high	175 Å²	175	78.2 Å²	78.2	66%	0.66	41%	0.41	S	S	*	.			trans	-117.1	134.1	-178	-171.9	176.6	176.3	176.2	-0.5	110.4	C39 D40	C39-R45 WeakPolarHBondContact CA-O 3.19Å; D40-R45 HydrophobicContact CB-CB 4.31Å; D40-R45 PolarHBondContact N-O 3.01Å; D40-R45 PolarHBondContact OD1-N 3.45Å
46	W	93.4	Very high	91.4	Very high	55 Å²	55	80.9 Å²	80.9	21%	0.208	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	134.6	176.3	-65.2	85.8	0	0	0	109.7	L37 L38 C39 C68 F69 M70	L37-W46 HydrophobicContact CB-CE3 3.78Å; L37-W46 HydrophobicContact CB-CZ3 4.16Å; L38-W46 CarbonylContact O-C 3.47Å; L38-W46 WeakPolarHBondContact O-CA 3.18Å; C39-W46 HydrophobicContact CB-CD2 4.01Å; C39-W46 HydrophobicContact CB-CE3 3.74Å; C39-W46 HydrophobicContact CB-CH2 3.74Å; C39-W46 HydrophobicContact CB-CZ2 3.97Å; C39-W46 HydrophobicContact CB-CZ3 3.63Å; C39-W46 VanDerWaalsContact SG-CZ2 3.56Å; W46-C68 VanDerWaalsContact CB-O 3.26Å; W46-C68 WeakPolarHBondContact CB-O 3.21Å; W46-F69 HydrophobicContact CG-CB 4.38Å; W46-M70 HydrophobicContact CE3-CG 4.32Å; W46-M70 HydrophobicContact CH2-CB 4.08Å; W46-M70 HydrophobicContact CH2-CG 3.4Å; W46-M70 HydrophobicContact CZ2-CB 3.9Å; W46-M70 HydrophobicContact CZ2-CG 3.69Å; W46-M70 HydrophobicContact CZ3-CG 3.74Å
47	T	93.4	Very high	91.2	Very high	64 Å²	64	83.7 Å²	83.7	39%	0.393	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.2	176.3	-55.4	0	0	0	0	109.2	L38 H49	L38-T47 PolarHBondContact N-O 3.02Å; L38-T47 PolarHBondContact O-N 3.2Å; T47-H49 WeakPolarHBondContact CG2-NE2 3.45Å
48	L	96.4	Very high	91.1	Very high	13 Å²	13	86 Å²	86	7%	0.068	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	122.4	175.9	174.7	64	0	0	0	110.6	Y35 L37 L50 K63 I66 M82	Y35-L48 HydrophobicContact CD2-CD1 3.51Å; Y35-L48 HydrophobicContact CE2-CD1 4.4Å; Y35-L48 HydrophobicContact CG-CD1 4.04Å; L37-L48 HydrophobicContact CD2-CB 4.27Å; L37-L48 HydrophobicContact CD2-CD1 3.75Å; L48-L50 HydrophobicContact CD1-CD2 3.92Å; L48-L50 HydrophobicContact CD2-CD2 4.07Å; L48-L50 HydrophobicContact CD2-CG 4.27Å; L48-L50 HydrophobicContact CG-CD2 4.07Å; L48-L50 HydrophobicContact CG-CG 4.21Å; L48-K63 WeakPolarHBondContact O-CE 3.31Å; L48-K63 PolarHBondContact O-NZ 2.91Å; L48-I66 HydrophobicContact CD2-CB 4.42Å; L48-I66 HydrophobicContact CD2-CD1 4.44Å; L48-I66 HydrophobicContact CD2-CG2 3.8Å; L48-M82 HydrophobicContact CD2-CE 3.95Å
49	H	96.3	Very high	91	Very high	81 Å²	81	84.3 Å²	84.3	38%	0.375	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	113.5	169.9	-67.1	-90.7	0	0	0	109.3	Y35 T36 T47	Y35-H49 CarbonylContact C-O 3.59Å; Y35-H49 WeakPolarHBondContact CA-O 3.2Å; Y35-H49 WeakPolarHBondContact CB-O 3.45Å; T36-H49 PolarHBondContact N-O 3.33Å; T36-H49 PolarHBondContact O-N 3.5Å; T47-H49 WeakPolarHBondContact CG2-NE2 3.45Å
50	L	96.8	Very high	90.8	Very high	37 Å²	37	85.5 Å²	85.5	19%	0.194	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	136.5	175	-62	176.9	0	0	0	108.7	L48 A54 W56	L48-L50 HydrophobicContact CD1-CD2 3.92Å; L48-L50 HydrophobicContact CD2-CD2 4.07Å; L48-L50 HydrophobicContact CD2-CG 4.27Å; L48-L50 HydrophobicContact CG-CD2 4.07Å; L48-L50 HydrophobicContact CG-CG 4.21Å; L50-A54 HydrophobicContact CB-CB 4.06Å; L50-A54 HydrophobicContact CD2-CB 4.12Å; L50-W56 HydrophobicContact CD1-CB 3.96Å; L50-W56 HydrophobicContact CD1-CD2 3.74Å; L50-W56 HydrophobicContact CD1-CE3 3.67Å; L50-W56 HydrophobicContact CD1-CG 3.89Å; L50-W56 HydrophobicContact CD1-CZ3 4.36Å
51	S	95.8	Very high	90.8	Very high	44 Å²	44	92.3 Å²	92.3	31%	0.308	47%	0.467	S	S	.	.			trans	-83.2	168.2	167.9	73.3	0	0	0	0	110.5	T34 R53 A54	T34-S51 VanDerWaalsContact C-OG 3.32Å; T34-S51 WeakPolarHBondContact CA-OG 3.28Å; T34-S51 VanDerWaalsContact O-CB 3.3Å; T34-S51 WeakPolarHBondContact O-CB 3.43Å; T34-S51 PolarHBondContact O-N 2.78Å; T34-S51 PolarHBondContact O-OG 3.08Å; S51-R53 PolarHBondContact O-N 3.08Å; S51-R53 PolarHBondContact OG-N 2.99Å; S51-A54 VanDerWaalsContact O-CB 3.27Å; S51-A54 WeakPolarHBondContact O-CB 3.3Å; S51-A54 PolarHBondContact O-N 2.93Å
52	E	93	Very high	91.2	Very high	191 Å²	191	85.9 Å²	85.9	89%	0.893	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-58.6	-29.8	174.8	-62.8	-179.4	170.5	0	0	112.6	A54 D55	E52-A54 PolarHBondContact O-N 3.09Å; E52-D55 PolarHBondContact O-N 2.83Å; E52-D55 VanDerWaalsContact O-N 3.16Å
53	R	93.9	Very high	91.6	Very high	139 Å²	139	84.9 Å²	84.9	53%	0.525	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-69.4	-13	178.2	-60.9	-174.7	-64.6	-175.8	2.6	114	E32 P33 T34 S51 D55	E32-R53 VanDerWaalsContact CB-NH1 3.34Å; P33-R53 PolarHBondContact O-NH2 3.45Å; T34-R53 HydrophobicContact CG2-CB 4.01Å; S51-R53 PolarHBondContact O-N 3.08Å; S51-R53 PolarHBondContact OG-N 2.99Å; R53-D55 PolarHBondContact O-N 3.46Å
54	A	94.6	Very high	92.3	Very high	2 Å²	2	89.2 Å²	89.2	2%	0.017	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-72.9	-12.4	174	0	0	0	0	0	112.4	L50 S51 E52 W56	L50-A54 HydrophobicContact CB-CB 4.06Å; L50-A54 HydrophobicContact CD2-CB 4.12Å; S51-A54 VanDerWaalsContact O-CB 3.27Å; S51-A54 WeakPolarHBondContact O-CB 3.3Å; S51-A54 PolarHBondContact O-N 2.93Å; E52-A54 PolarHBondContact O-N 3.09Å; A54-W56 PolarHBondContact O-N 3.44Å
55	D	92.7	Very high	93.1	Very high	106 Å²	106	86.8 Å²	86.8	57%	0.567	42%	0.419	S	S	*	.			trans	47.2	56.1	-177	-166.5	43.2	0	0	0	112	E52 R53 Q57 S109	E52-D55 PolarHBondContact O-N 2.83Å; E52-D55 VanDerWaalsContact O-N 3.16Å; R53-D55 PolarHBondContact O-N 3.46Å; D55-Q57 WeakPolarHBondContact O-CG 3.25Å; D55-Q57 PolarHBondContact O-N 2.84Å; D55-Q57 PolarHBondContact OD2-NE2 3.2Å; D55-S109 PolarHBondContact O-OG 3.32Å
56	W	94.8	Very high	93.5	Very high	61 Å²	61	79.3 Å²	79.3	23%	0.231	39%	0.392	C	S	.	.			trans	-71.9	119.8	-178.8	178.6	-106.8	0	0	0	111	L50 A54 Y58 S59 E62 K63 I66 S108 S109 I112	L50-W56 HydrophobicContact CD1-CB 3.96Å; L50-W56 HydrophobicContact CD1-CD2 3.74Å; L50-W56 HydrophobicContact CD1-CE3 3.67Å; L50-W56 HydrophobicContact CD1-CG 3.89Å; L50-W56 HydrophobicContact CD1-CZ3 4.36Å; A54-W56 PolarHBondContact O-N 3.44Å; W56-Y58 HydrophobicContact CH2-CD2 4.4Å; W56-Y58 HydrophobicContact CZ2-CG 4.49Å; W56-Y58 HydrophobicContact CZ3-CD2 4.43Å; W56-Y58 PolarHBondContact NE1-O 2.74Å; W56-S59 PolarHBondContact NE1-O 3.37Å; W56-E62 HydrophobicContact CZ2-CB 4.35Å; W56-K63 HydrophobicContact CH2-CB 4.42Å; W56-K63 HydrophobicContact CZ2-CB 3.82Å; W56-K63 HydrophobicContact CZ2-CG 4.37Å; W56-I66 HydrophobicContact CH2-CD1 3.63Å; W56-I66 HydrophobicContact CZ3-CD1 3.83Å; W56-S108 VanDerWaalsContact CE3-OG 3.29Å; W56-S108 WeakPolarHBondContact CZ3-OG 3.27Å; W56-S109 WeakPolarHBondContact CA-OG 3.32Å; W56-I112 HydrophobicContact CH2-CD1 3.39Å; W56-I112 HydrophobicContact CZ2-CD1 4.26Å; W56-I112 HydrophobicContact CZ3-CD1 4.11Å
57	Q	93.6	Very high	93.7	Very high	136 Å²	136	79.1 Å²	79.1	64%	0.636	39%	0.394	S	S	*	.			trans	-103	-0.2	-169.6	-68.6	171.6	6.9	0	0	114.3	D55 S109	D55-Q57 WeakPolarHBondContact O-CG 3.25Å; D55-Q57 PolarHBondContact O-N 2.84Å; D55-Q57 PolarHBondContact OD2-NE2 3.2Å; Q57-S109 PolarHBondContact N-OG 2.87Å; Q57-S109 VanDerWaalsContact N-OG 3.1Å
58	Y	92.9	Very high	93.9	Very high	69 Å²	69	76.3 Å²	76.3	27%	0.271	38%	0.377	S	S	.	.	S	Bend	trans	-114.4	175.5	-175	-65	-88.4	0	0	0	112.5	W56 E62 S109 I112 G113	W56-Y58 HydrophobicContact CH2-CD2 4.4Å; W56-Y58 HydrophobicContact CZ2-CG 4.49Å; W56-Y58 HydrophobicContact CZ3-CD2 4.43Å; W56-Y58 PolarHBondContact NE1-O 2.74Å; Y58-E62 HydrophobicContact CD1-CG 4.08Å; Y58-E62 HydrophobicContact CG-CB 4.36Å; Y58-E62 HydrophobicContact CG-CG 4.41Å; Y58-S109 WeakPolarHBondContact CE2-O 3.29Å; Y58-I112 HydrophobicContact CD1-CG2 4.25Å; Y58-I112 HydrophobicContact CD2-CB 4.48Å; Y58-I112 HydrophobicContact CD2-CG2 4.37Å; Y58-I112 HydrophobicContact CE1-CG2 3.89Å; Y58-I112 HydrophobicContact CE2-CB 4.1Å; Y58-I112 HydrophobicContact CE2-CG2 4.03Å; Y58-I112 HydrophobicContact CG-CG2 4.48Å; Y58-G113 VanDerWaalsContact OH-CA 3.23Å; Y58-G113 WeakPolarHBondContact OH-CA 3.34Å; Y58-G113 PolarHBondContact OH-N 3.43Å
59	S	91.5	Very high	94	Very high	61 Å²	61	76.2 Å²	76.2	43%	0.427	38%	0.376	S	S	.	.			trans	-78.5	172.6	175.8	97.3	0	0	0	0	111.7	W56 R61 E62	W56-S59 PolarHBondContact NE1-O 3.37Å; S59-R61 PolarHBondContact O-N 3.2Å; S59-R61 WeakPolarHBondContact OG-CB 3.49Å; S59-R61 PolarHBondContact OG-N 2.96Å; S59-R61 VanDerWaalsContact OG-N 3.1Å; S59-E62 WeakPolarHBondContact CA-OE2 3.23Å; S59-E62 WeakPolarHBondContact CB-OE2 3.42Å; S59-E62 PolarHBondContact N-OE2 3.48Å; S59-E62 VanDerWaalsContact N-OE2 3.16Å; S59-E62 PolarHBondContact O-N 2.9Å; S59-E62 PolarHBondContact OG-OE2 3.48Å
60	A	87.6	Confident	94	Very high	78 Å²	78	73.9 Å²	73.9	65%	0.645	37%	0.365	S	S	*	.	H	α-helix	trans	-61.7	-27.8	173.7	0	0	0	0	0	112.6	K63 D64	A60-K63 VanDerWaalsContact O-CB 3.27Å; A60-K63 WeakPolarHBondContact O-CB 3.38Å; A60-K63 PolarHBondContact O-N 2.92Å; A60-D64 PolarHBondContact O-N 2.87Å
61	R	88.3	Confident	94	Very high	205 Å²	205	73.5 Å²	73.5	77%	0.774	36%	0.364	S	S	*	.	H	α-helix	trans	-68.8	-41	-179.5	-175.6	-178.8	178.5	-178.6	-0.4	112.2	S59 K63 D64	S59-R61 PolarHBondContact O-N 3.2Å; S59-R61 WeakPolarHBondContact OG-CB 3.49Å; S59-R61 PolarHBondContact OG-N 2.96Å; S59-R61 VanDerWaalsContact OG-N 3.1Å; R61-K63 PolarHBondContact O-N 3.44Å; R61-D64 WeakPolarHBondContact O-CB 3.37Å; R61-D64 PolarHBondContact O-N 3.32Å; R61-D64 VanDerWaalsContact O-N 3.15Å
62	E	92	Very high	94.2	Very high	75 Å²	75	79.4 Å²	79.4	35%	0.35	38%	0.38	S	S	.	.	H	α-helix	trans	-65.3	-28.9	175.4	-73.3	85.9	167.1	0	0	111.4	W56 Y58 S59 D64 A65 I112	W56-E62 HydrophobicContact CZ2-CB 4.35Å; Y58-E62 HydrophobicContact CD1-CG 4.08Å; Y58-E62 HydrophobicContact CG-CB 4.36Å; Y58-E62 HydrophobicContact CG-CG 4.41Å; S59-E62 WeakPolarHBondContact CA-OE2 3.23Å; S59-E62 WeakPolarHBondContact CB-OE2 3.42Å; S59-E62 PolarHBondContact N-OE2 3.48Å; S59-E62 VanDerWaalsContact N-OE2 3.16Å; S59-E62 PolarHBondContact O-N 2.9Å; S59-E62 PolarHBondContact OG-OE2 3.48Å; E62-D64 PolarHBondContact O-N 3.3Å; E62-A65 VanDerWaalsContact O-CB 3.3Å; E62-A65 WeakPolarHBondContact O-CB 3.48Å; E62-A65 PolarHBondContact O-N 3.43Å; E62-A65 VanDerWaalsContact O-N 3.12Å; E62-I112 HydrophobicContact CB-CD1 4.01Å
63	K	92.4	Very high	94.4	Very high	60 Å²	60	70.6 Å²	70.6	26%	0.261	34%	0.34	S	S	.	.	H	α-helix	trans	-64.1	-27.9	174.8	-164.7	-179.1	173.7	-171.6	0	112.3	L48 W56 A60 R61 A65 I66	L48-K63 WeakPolarHBondContact O-CE 3.31Å; L48-K63 PolarHBondContact O-NZ 2.91Å; W56-K63 HydrophobicContact CH2-CB 4.42Å; W56-K63 HydrophobicContact CZ2-CB 3.82Å; W56-K63 HydrophobicContact CZ2-CG 4.37Å; A60-K63 VanDerWaalsContact O-CB 3.27Å; A60-K63 WeakPolarHBondContact O-CB 3.38Å; A60-K63 PolarHBondContact O-N 2.92Å; R61-K63 PolarHBondContact O-N 3.44Å; K63-A65 PolarHBondContact O-N 3.47Å; K63-I66 WeakPolarHBondContact O-CB 3.4Å; K63-I66 PolarHBondContact O-N 3.17Å
64	D	92.9	Very high	94.6	Very high	138 Å²	138	69.1 Å²	69.1	74%	0.738	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.2	176	-63.3	-30.6	0	0	0	112.8	A60 R61 E62 I66	A60-D64 PolarHBondContact O-N 2.87Å; R61-D64 WeakPolarHBondContact O-CB 3.37Å; R61-D64 PolarHBondContact O-N 3.32Å; R61-D64 VanDerWaalsContact O-N 3.15Å; E62-D64 PolarHBondContact O-N 3.3Å; D64-I66 PolarHBondContact O-N 3.26Å
65	A	95.1	Very high	94.8	Very high	32 Å²	32	75.6 Å²	75.6	26%	0.264	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-8.9	172.9	0	0	0	0	0	113.2	E62 K63 R85	E62-A65 VanDerWaalsContact O-CB 3.3Å; E62-A65 WeakPolarHBondContact O-CB 3.48Å; E62-A65 PolarHBondContact O-N 3.43Å; E62-A65 VanDerWaalsContact O-N 3.12Å; K63-A65 PolarHBondContact O-N 3.47Å; A65-R85 PolarHBondContact O-N 3.12Å
66	I	97.2	Very high	95.1	Very high	18 Å²	18	72.2 Å²	72.2	9%	0.092	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.7	-177.5	-53.7	-176.2	0	0	0	110	L48 W56 K63 D64 M82 V84 I112	L48-I66 HydrophobicContact CD2-CB 4.42Å; L48-I66 HydrophobicContact CD2-CD1 4.44Å; L48-I66 HydrophobicContact CD2-CG2 3.8Å; W56-I66 HydrophobicContact CH2-CD1 3.63Å; W56-I66 HydrophobicContact CZ3-CD1 3.83Å; K63-I66 WeakPolarHBondContact O-CB 3.4Å; K63-I66 PolarHBondContact O-N 3.17Å; D64-I66 PolarHBondContact O-N 3.26Å; I66-M82 HydrophobicContact CG2-CE 3.96Å; I66-M82 HydrophobicContact CG2-CG 3.51Å; I66-M82 HydrophobicContact CG2-SD 3.84Å; I66-V84 HydrophobicContact CG1-CG1 4.22Å; I66-V84 HydrophobicContact CG1-CG2 4.17Å; I66-V84 HydrophobicContact CG2-CG2 4.49Å; I66-I112 HydrophobicContact CD1-CD1 4.17Å; I66-I112 HydrophobicContact CG1-CD1 4.35Å
67	E	97.1	Very high	95.2	Very high	51 Å²	51	70.5 Å²	70.5	24%	0.238	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	125.1	169.9	-173.7	-168.6	153.9	0	0	109.3	M82 F83 R85 R156 Y157	E67-M82 CarbonylContact O-C 3.56Å; E67-M82 WeakPolarHBondContact O-CA 3.37Å; E67-F83 PolarHBondContact N-O 3.46Å; E67-F83 PolarHBondContact O-N 3.35Å; E67-R85 IonicContact OE2-CZ 3.73Å; E67-R85 IonicContact OE2-NH1 3.43Å; E67-R85 PolarHBondContact OE2-NH1 3.13Å; E67-R85 VanDerWaalsContact OE2-NH1 3.15Å; E67-R85 IonicContact OE2-NH2 2.76Å; E67-R85 PolarHBondContact OE2-NH2 3.18Å; E67-R156 IonicContact OE1-CZ 3.57Å; E67-R156 IonicContact OE1-NE 3.27Å; E67-R156 PolarHBondContact OE1-NE 2.9Å; E67-R156 IonicContact OE1-NH2 3.38Å; E67-R156 PolarHBondContact OE1-NH2 2.83Å; E67-Y157 PolarHBondContact OE1-OH 2.77Å; E67-Y157 WeakPolarHBondContact OE2-CE1 3.46Å; E67-Y157 PolarHBondContact OE2-OH 3.1Å
68	C	97.7	Very high	95.4	Very high	6 Å²	6	70 Å²	70	4%	0.041	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	156.4	173.2	-64.6	0	0	0	0	111	L37 W46 C81	L37-C68 HydrophobicContact CD1-CB 4.06Å; L37-C68 HydrophobicContact CD2-CB 3.46Å; L37-C68 VanDerWaalsContact CD2-CB 3.46Å; L37-C68 HydrophobicContact CG-CB 4.43Å; W46-C68 VanDerWaalsContact CB-O 3.26Å; W46-C68 WeakPolarHBondContact CB-O 3.21Å; C68-C81 CarbonylContact C-O 3.58Å; C68-C81 WeakPolarHBondContact CA-O 3.44Å
69	F	97.4	Very high	95.7	Very high	10 Å²	10	66.7 Å²	66.7	4%	0.044	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	169.8	169.8	61.9	-80.1	0	0	0	110.3	W46 C81 F123 Y157	W46-F69 HydrophobicContact CG-CB 4.38Å; F69-C81 HydrophobicContact CD1-CB 4.19Å; F69-C81 HydrophobicContact CD2-CB 4.39Å; F69-C81 HydrophobicContact CE1-CB 3.71Å; F69-C81 HydrophobicContact CE2-CB 3.95Å; F69-C81 HydrophobicContact CG-CB 4.49Å; F69-C81 HydrophobicContact CZ-CB 3.58Å; F69-C81 PolarHBondContact N-O 3.34Å; F69-C81 PolarHBondContact O-N 2.94Å; F69-F123 AromaticContact CE1-CE2 3.83Å; F69-F123 HydrophobicContact CE1-CE2 3.83Å; F69-F123 HydrophobicContact CE1-CZ 4.26Å; F69-F123 AromaticContact CZ-CE2 3.84Å; F69-F123 HydrophobicContact CZ-CE2 3.84Å; F69-F123 AromaticContact CZ-CZ 3.86Å; F69-F123 HydrophobicContact CZ-CZ 3.86Å; F69-Y157 AromaticContact CE1-CE2 3.84Å; F69-Y157 HydrophobicContact CE1-CE2 3.84Å; F69-Y157 AromaticContact CE1-CZ 3.94Å; F69-Y157 WeakPolarHBondContact CE1-OH 3.28Å; F69-Y157 HydrophobicContact CZ-CE2 4.15Å
70	M	97.4	Very high	96.1	Very high	33 Å²	33	63.8 Å²	63.8	16%	0.163	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	136.6	172.4	-59	-63.2	-69	0	0	110.5	L37 W46 R78 I79 A80 A132	L37-M70 HydrophobicContact CD1-SD 3.83Å; W46-M70 HydrophobicContact CE3-CG 4.32Å; W46-M70 HydrophobicContact CH2-CB 4.08Å; W46-M70 HydrophobicContact CH2-CG 3.4Å; W46-M70 HydrophobicContact CZ2-CB 3.9Å; W46-M70 HydrophobicContact CZ2-CG 3.69Å; W46-M70 HydrophobicContact CZ3-CG 3.74Å; M70-R78 HydrophobicContact CE-CB 3.93Å; M70-I79 CarbonylContact C-O 3.58Å; M70-I79 VanDerWaalsContact CA-O 3.29Å; M70-I79 WeakPolarHBondContact CA-O 3.35Å; M70-A80 HydrophobicContact CE-CB 4.4Å; M70-A80 WeakPolarHBondContact SD-CA 3.42Å; M70-A80 HydrophobicContact SD-CB 3.69Å; M70-A132 WeakPolarHBondContact CE-O 3.33Å
71	T	97.2	Very high	96.6	Very high	28 Å²	28	60 Å²	60	17%	0.172	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	157.7	170.8	-166.9	0	0	0	0	111.2	R78 I79 A148 S152	T71-R78 CarbonylContact O-C 3.54Å; T71-R78 VanDerWaalsContact O-CA 3.3Å; T71-R78 WeakPolarHBondContact O-CA 3.22Å; T71-I79 HydrophobicContact CG2-CD1 3.98Å; T71-I79 HydrophobicContact CG2-CG1 3.56Å; T71-I79 PolarHBondContact N-O 3.48Å; T71-I79 PolarHBondContact O-N 3.44Å; T71-A148 HydrophobicContact CG2-CB 3.97Å; T71-S152 PolarHBondContact OG1-OG 2.96Å
72	R	98.2	Very high	97.1	Very high	168 Å²	168	50.3 Å²	50.3	63%	0.634	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101	132.9	-178.8	-179.9	178	-91.5	-80.3	-0.4	110	G76 N77	R72-G76 VanDerWaalsContact NH1-CA 3.26Å; R72-G76 PolarHBondContact NH1-O 3.27Å; R72-N77 CarbonylContact C-O 3.5Å; R72-N77 WeakPolarHBondContact CA-O 3.3Å
73	T	98.8	Very high	97.4	Very high	7 Å²	7	47 Å²	47	4%	0.043	24%	0.236	C	C	.	.			trans	-87.6	160.1	177.8	76.9	0	0	0	0	111.2	R75 G76 N77 I79 D145 A148	T73-R75 PolarHBondContact O-N 3.38Å; T73-R75 VanDerWaalsContact O-N 3.09Å; T73-R75 PolarHBondContact OG1-N 3.26Å; T73-G76 PolarHBondContact O-N 2.81Å; T73-N77 HydrophobicContact CG2-CB 4.43Å; T73-N77 PolarHBondContact N-O 3.02Å; T73-N77 PolarHBondContact OG1-N 2.89Å; T73-I79 HydrophobicContact CG2-CD1 4.07Å; T73-I79 HydrophobicContact CG2-CG1 4.04Å; T73-I79 HydrophobicContact CG2-CG2 3.81Å; T73-D145 WeakPolarHBondContact CG2-OD1 3.24Å; T73-A148 HydrophobicContact CG2-CB 3.97Å
74	S	98.4	Very high	97.7	Very high	107 Å²	107	44.1 Å²	44.1	75%	0.748	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-19.7	175.5	59.7	0	0	0	0	113.1
75	R	97.9	Very high	97.9	Very high	138 Å²	138	42.5 Å²	42.5	52%	0.521	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	5.7	176.2	-63.1	-172.2	63.6	76.3	12.1	113.7	T73 K140 N141 A144	T73-R75 PolarHBondContact O-N 3.38Å; T73-R75 VanDerWaalsContact O-N 3.09Å; T73-R75 PolarHBondContact OG1-N 3.26Å; R75-K140 VanDerWaalsContact CD-O 3.24Å; R75-K140 WeakPolarHBondContact CD-O 3.45Å; R75-N141 VanDerWaalsContact CD-OD1 3.22Å; R75-N141 WeakPolarHBondContact CD-OD1 3.48Å; R75-N141 PolarHBondContact NE-OD1 3.34Å; R75-A144 HydrophobicContact CB-CB 4.23Å; R75-A144 HydrophobicContact CG-CB 3.67Å
76	G	97.9	Very high	98	Very high	35 Å²	35	42 Å²	42	36%	0.361	20%	0.202	S	C	.	.	S	Bend	trans	86.5	2.9	171.3	0	0	0	0	0	115.5	R72 T73	R72-G76 VanDerWaalsContact NH1-CA 3.26Å; R72-G76 PolarHBondContact NH1-O 3.27Å; T73-G76 PolarHBondContact O-N 2.81Å
77	N	98.4	Very high	97.7	Very high	26 Å²	26	42.1 Å²	42.1	14%	0.139	20%	0.204	C	C	.	.			trans	-77.9	154.7	172.6	-59.4	-32.7	0	0	0	110	R72 T73 S128 N141	R72-N77 CarbonylContact C-O 3.5Å; R72-N77 WeakPolarHBondContact CA-O 3.3Å; T73-N77 HydrophobicContact CG2-CB 4.43Å; T73-N77 PolarHBondContact N-O 3.02Å; T73-N77 PolarHBondContact OG1-N 2.89Å; N77-S128 WeakPolarHBondContact CB-OG 3.42Å; N77-S128 WeakPolarHBondContact ND2-CB 3.46Å; N77-S128 PolarHBondContact ND2-OG 2.86Å; N77-N141 PolarHBondContact ND2-ND2 2.89Å
78	R	98.2	Very high	97.3	Very high	124 Å²	124	46.6 Å²	46.6	47%	0.468	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125	164.2	-61.8	173.7	69.8	-176.6	4	108.3	M70 T71 S134	M70-R78 HydrophobicContact CE-CB 3.93Å; T71-R78 CarbonylContact O-C 3.54Å; T71-R78 VanDerWaalsContact O-CA 3.3Å; T71-R78 WeakPolarHBondContact O-CA 3.22Å; R78-S134 PolarHBondContact N-OG 3.23Å; R78-S134 PolarHBondContact O-N 3.11Å; R78-S134 PolarHBondContact O-OG 3.5Å
79	I	98.7	Very high	97.2	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	147.1	175.9	63.2	171.6	0	0	0	110.8	M70 T71 T73 Y125 S133 D145 A148	M70-I79 CarbonylContact C-O 3.58Å; M70-I79 VanDerWaalsContact CA-O 3.29Å; M70-I79 WeakPolarHBondContact CA-O 3.35Å; T71-I79 HydrophobicContact CG2-CD1 3.98Å; T71-I79 HydrophobicContact CG2-CG1 3.56Å; T71-I79 PolarHBondContact N-O 3.48Å; T71-I79 PolarHBondContact O-N 3.44Å; T73-I79 HydrophobicContact CG2-CD1 4.07Å; T73-I79 HydrophobicContact CG2-CG1 4.04Å; T73-I79 HydrophobicContact CG2-CG2 3.81Å; I79-Y125 HydrophobicContact CD1-CD2 4.1Å; I79-S133 VanDerWaalsContact CA-OG 3.23Å; I79-S133 WeakPolarHBondContact CA-OG 3.45Å; I79-D145 HydrophobicContact CD1-CB 3.97Å; I79-D145 WeakPolarHBondContact CD1-O 3.41Å; I79-D145 HydrophobicContact CG2-CB 4.38Å; I79-D145 WeakPolarHBondContact CG2-OD1 3.39Å; I79-A148 HydrophobicContact CD1-CB 4.13Å
80	A	98.6	Very high	97.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	137.7	171.9	0	0	0	0	0	110.4	Y35 L37 M70 L104 Y125 D126 A132 S133	Y35-A80 WeakPolarHBondContact OH-CB 3.49Å; L37-A80 HydrophobicContact CD1-CB 3.86Å; M70-A80 HydrophobicContact CE-CB 4.4Å; M70-A80 WeakPolarHBondContact SD-CA 3.42Å; M70-A80 HydrophobicContact SD-CB 3.69Å; A80-L104 HydrophobicContact CB-CD1 4.03Å; A80-Y125 CarbonylContact O-C 3.56Å; A80-Y125 WeakPolarHBondContact O-CA 3.2Å; A80-Y125 WeakPolarHBondContact O-CB 3.44Å; A80-D126 PolarHBondContact O-N 3.25Å; A80-A132 HydrophobicContact CB-CB 4.21Å; A80-S133 PolarHBondContact N-OG 3.28Å
81	C	98.7	Very high	97	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	148.6	171.8	-63.4	0	0	0	0	109.6	C68 F69 F123 S124	C68-C81 CarbonylContact C-O 3.58Å; C68-C81 WeakPolarHBondContact CA-O 3.44Å; F69-C81 HydrophobicContact CD1-CB 4.19Å; F69-C81 HydrophobicContact CD2-CB 4.39Å; F69-C81 HydrophobicContact CE1-CB 3.71Å; F69-C81 HydrophobicContact CE2-CB 3.95Å; F69-C81 HydrophobicContact CG-CB 4.49Å; F69-C81 HydrophobicContact CZ-CB 3.58Å; F69-C81 PolarHBondContact N-O 3.34Å; F69-C81 PolarHBondContact O-N 2.94Å; C81-F123 HydrophobicContact CB-CE1 4.44Å; C81-F123 HydrophobicContact CB-CE2 4.16Å; C81-F123 HydrophobicContact CB-CZ 3.68Å; C81-S124 CarbonylContact C-O 3.59Å; C81-S124 WeakPolarHBondContact CA-O 3.38Å
82	M	98.6	Very high	97.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	126	178.3	178.7	-179.1	-74	0	0	109.1	L48 I66 E67 V84 L104 Y111 F123 S124	L48-M82 HydrophobicContact CD2-CE 3.95Å; I66-M82 HydrophobicContact CG2-CE 3.96Å; I66-M82 HydrophobicContact CG2-CG 3.51Å; I66-M82 HydrophobicContact CG2-SD 3.84Å; E67-M82 CarbonylContact O-C 3.56Å; E67-M82 WeakPolarHBondContact O-CA 3.37Å; M82-V84 HydrophobicContact CG-CG2 3.93Å; M82-V84 HydrophobicContact SD-CG2 3.97Å; M82-L104 HydrophobicContact CB-CD1 3.96Å; M82-L104 HydrophobicContact CB-CD2 4.03Å; M82-L104 HydrophobicContact CB-CG 4.46Å; M82-L104 HydrophobicContact CE-CB 3.93Å; M82-L104 WeakPolarHBondContact CE-O 3.41Å; M82-Y111 HydrophobicContact SD-CD2 4.02Å; M82-Y111 HydrophobicContact SD-CE2 4.38Å; M82-F123 CarbonylContact O-C 3.55Å; M82-F123 WeakPolarHBondContact O-CA 3.48Å; M82-S124 PolarHBondContact N-O 3.16Å; M82-S124 PolarHBondContact O-N 3.04Å
83	F	98.6	Very high	97.1	Very high	6 Å²	6	46.3 Å²	46.3	3%	0.026	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	111.8	171.5	-169.5	-172.8	0	0	0	110.2	E67 R85 T93 N121 V122 F123 Y157 I159	E67-F83 PolarHBondContact N-O 3.46Å; E67-F83 PolarHBondContact O-N 3.35Å; F83-R85 HydrophobicContact CE1-CG 4.47Å; F83-R85 HydrophobicContact CE2-CG 4.15Å; F83-R85 HydrophobicContact CZ-CG 4.12Å; F83-T93 HydrophobicContact CE2-CG2 4.2Å; F83-N121 HydrophobicContact CE2-CB 3.82Å; F83-N121 HydrophobicContact CZ-CB 4.3Å; F83-V122 WeakPolarHBondContact CD2-O 3.42Å; F83-F123 HydrophobicContact CB-CD2 3.78Å; F83-F123 HydrophobicContact CB-CE2 4.31Å; F83-F123 HydrophobicContact CD2-CB 4.43Å; F83-F123 HydrophobicContact CD2-CD2 4.44Å; F83-F123 HydrophobicContact CG-CD2 4.03Å; F83-Y157 HydrophobicContact CB-CE2 4.32Å; F83-Y157 AromaticContact CD1-CD1 3.65Å; F83-Y157 HydrophobicContact CD1-CD1 3.65Å; F83-Y157 AromaticContact CD1-CD2 3.79Å; F83-Y157 HydrophobicContact CD1-CD2 3.79Å; F83-Y157 AromaticContact CD1-CE1 3.52Å; F83-Y157 HydrophobicContact CD1-CE1 3.52Å; F83-Y157 AromaticContact CD1-CE2 3.66Å; F83-Y157 HydrophobicContact CD1-CE2 3.66Å; F83-Y157 AromaticContact CD1-CG 3.78Å; F83-Y157 HydrophobicContact CD1-CG 3.78Å; F83-Y157 AromaticContact CD1-CZ 3.51Å; F83-Y157 AromaticContact CE1-CD1 3.7Å; F83-Y157 HydrophobicContact CE1-CD1 3.7Å; F83-Y157 HydrophobicContact CE1-CD2 4.1Å; F83-Y157 HydrophobicContact CE1-CE1 4.06Å; F83-Y157 HydrophobicContact CE1-CE2 4.42Å; F83-Y157 AromaticContact CE1-CG 3.72Å; F83-Y157 HydrophobicContact CE1-CG 3.72Å; F83-Y157 HydrophobicContact CG-CE2 4.35Å; F83-I159 HydrophobicContact CE1-CD1 4.43Å; F83-I159 HydrophobicContact CZ-CD1 4.16Å
84	V	98.4	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.6	174.7	-167.5	0	0	0	0	109.8	I66 M82 C86 Y111 I112 V122	I66-V84 HydrophobicContact CG1-CG1 4.22Å; I66-V84 HydrophobicContact CG1-CG2 4.17Å; I66-V84 HydrophobicContact CG2-CG2 4.49Å; M82-V84 HydrophobicContact CG-CG2 3.93Å; M82-V84 HydrophobicContact SD-CG2 3.97Å; V84-C86 WeakPolarHBondContact CG1-SG 3.33Å; V84-C86 PolarHBondContact O-N 2.87Å; V84-Y111 HydrophobicContact CG2-CD2 4.43Å; V84-I112 HydrophobicContact CG1-CD1 4.32Å; V84-I112 HydrophobicContact CG1-CG1 3.43Å; V84-I112 VanDerWaalsContact CG1-CG1 3.43Å; V84-V122 HydrophobicContact CB-CB 4.35Å; V84-V122 PolarHBondContact N-O 3.38Å; V84-V122 PolarHBondContact O-N 3.26Å
85	R	97.8	Very high	97.1	Very high	103 Å²	103	41 Å²	41	39%	0.389	21%	0.211	S	C	.	.			trans	-89.3	88.1	174.8	-74.3	171.4	-173	71.6	-10.8	110.4	A65 E67 F83 N121	A65-R85 PolarHBondContact O-N 3.12Å; E67-R85 IonicContact OE2-CZ 3.73Å; E67-R85 IonicContact OE2-NH1 3.43Å; E67-R85 PolarHBondContact OE2-NH1 3.13Å; E67-R85 VanDerWaalsContact OE2-NH1 3.15Å; E67-R85 IonicContact OE2-NH2 2.76Å; E67-R85 PolarHBondContact OE2-NH2 3.18Å; F83-R85 HydrophobicContact CE1-CG 4.47Å; F83-R85 HydrophobicContact CE2-CG 4.15Å; F83-R85 HydrophobicContact CZ-CG 4.12Å; R85-N121 WeakPolarHBondContact CA-OD1 3.47Å
86	C	96.3	Very high	97.2	Very high	23 Å²	23	34.5 Å²	34.5	16%	0.155	19%	0.186	C	C	.	.			trans	-82.5	-25	-172.1	-47.8	0	0	0	0	113.6	V84 Y111 G115 C120 N121	V84-C86 WeakPolarHBondContact CG1-SG 3.33Å; V84-C86 PolarHBondContact O-N 2.87Å; C86-Y111 PolarHBondContact SG-O 3.17Å; C86-G115 VanDerWaalsContact CB-C 3.49Å; C86-C120 VanDerWaalsContact CB-O 3.31Å; C86-C120 WeakPolarHBondContact CB-O 3.42Å; C86-N121 PolarHBondContact N-OD1 2.72Å
87	S	91.7	Very high	97.2	Very high	20 Å²	20	32.8 Å²	32.8	14%	0.14	17%	0.169	C	C	.	.			trans	-147.2	135.8	178.3	171.1	0	0	0	0	112.4	S89 A90 N119	S87-S89 PolarHBondContact O-N 3.06Å; S87-S89 PolarHBondContact OG-N 3.02Å; S87-S89 PolarHBondContact OG-OG 2.76Å; S87-A90 WeakPolarHBondContact O-CB 3.21Å; S87-A90 PolarHBondContact O-N 3.16Å; S87-N119 WeakPolarHBondContact CB-OD1 3.38Å; S87-N119 PolarHBondContact OG-OD1 2.9Å
88	P	89.3	Confident	97.2	Very high	144 Å²	144	31.6 Å²	31.6	94%	0.935	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-21	176.9	29.5	-35.1	0	0	0	113.1
89	S	94.4	Very high	97.1	Very high	84 Å²	84	26 Å²	26	59%	0.587	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.7	11.5	178.1	61.3	0	0	0	0	113	S87 R91 N119	S87-S89 PolarHBondContact O-N 3.06Å; S87-S89 PolarHBondContact OG-N 3.02Å; S87-S89 PolarHBondContact OG-OG 2.76Å; S89-R91 PolarHBondContact O-N 3.32Å; S89-R91 VanDerWaalsContact O-N 3.12Å; S89-N119 PolarHBondContact OG-OD1 2.88Å
90	A	96.1	Very high	96.9	Very high	20 Å²	20	28 Å²	28	17%	0.165	15%	0.154	C	C	.	.			trans	-60.9	115.3	178	0	0	0	0	0	110.7	S87 N121	S87-A90 WeakPolarHBondContact O-CB 3.21Å; S87-A90 PolarHBondContact O-N 3.16Å; A90-N121 HydrophobicContact CB-CB 4.25Å
91	R	95.2	Very high	96.7	Very high	125 Å²	125	30.4 Å²	30.4	47%	0.472	17%	0.174	S	C	.	.			trans	-74.3	-40.6	171.4	175.5	178.6	167.7	119.9	-4.9	111.3	S89 S289	S89-R91 PolarHBondContact O-N 3.32Å; S89-R91 VanDerWaalsContact O-N 3.12Å; R91-S289 PolarHBondContact NH2-OG 3.13Å
92	F	98.3	Very high	96.5	Very high	6 Å²	6	32 Å²	32	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	150.3	-174.4	-60.2	-71.4	0	0	0	111.7	C120 N121 N163 I165 A186 V281 L285	F92-C120 WeakPolarHBondContact O-CA 3.25Å; F92-N121 PolarHBondContact O-N 3.07Å; F92-N163 WeakPolarHBondContact CA-O 3.39Å; F92-I165 HydrophobicContact CB-CD1 3.8Å; F92-I165 HydrophobicContact CB-CG1 4.18Å; F92-I165 HydrophobicContact CD1-CD1 4.44Å; F92-I165 HydrophobicContact CD1-CG1 4.35Å; F92-I165 HydrophobicContact CD2-CD1 4.41Å; F92-I165 HydrophobicContact CG-CD1 3.99Å; F92-I165 HydrophobicContact CG-CG1 4.34Å; F92-A186 HydrophobicContact CD1-CB 3.94Å; F92-A186 HydrophobicContact CE1-CB 3.79Å; F92-V281 HydrophobicContact CD2-CG1 3.88Å; F92-V281 HydrophobicContact CE2-CG1 4.47Å; F92-L285 HydrophobicContact CE2-CB 4.1Å; F92-L285 HydrophobicContact CE2-CD1 4.46Å; F92-L285 HydrophobicContact CZ-CB 3.87Å; F92-L285 HydrophobicContact CZ-CD1 4.4Å
93	T	98.8	Very high	96.5	Very high	5 Å²	5	32 Å²	32	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	128.2	169.6	-57.8	0	0	0	0	109.3	F83 N121 F123 L153 I159 N163 V164 I165	F83-T93 HydrophobicContact CE2-CG2 4.2Å; T93-N121 CarbonylContact C-O 3.58Å; T93-N121 WeakPolarHBondContact CA-O 3.42Å; T93-N121 HydrophobicContact CG2-CB 3.94Å; T93-N121 WeakPolarHBondContact OG1-CB 3.49Å; T93-F123 HydrophobicContact CG2-CB 4Å; T93-L153 HydrophobicContact CG2-CD1 4.12Å; T93-I159 HydrophobicContact CG2-CD1 4.04Å; T93-I159 WeakPolarHBondContact OG1-CD1 3.18Å; T93-N163 PolarHBondContact N-O 3.49Å; T93-V164 WeakPolarHBondContact O-CA 3.43Å; T93-I165 PolarHBondContact O-N 2.92Å
94	L	98.9	Very high	96.5	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.4	170.5	-53.5	-169.8	0	0	0	108.8	F96 L114 I118 C120 N121 V122 F123 I165 Y167	L94-F96 HydrophobicContact CD1-CD2 4.29Å; L94-L114 HydrophobicContact CD1-CD2 3.89Å; L94-L114 HydrophobicContact CD1-CG 4.47Å; L94-I118 HydrophobicContact CD1-CD1 4.02Å; L94-I118 HydrophobicContact CD2-CD1 4.35Å; L94-C120 HydrophobicContact CD2-CB 4.24Å; L94-C120 HydrophobicContact CG-CB 4.11Å; L94-N121 PolarHBondContact N-O 3.25Å; L94-V122 HydrophobicContact CB-CG1 4.44Å; L94-V122 HydrophobicContact CB-CG2 4.45Å; L94-V122 HydrophobicContact CD1-CG2 4.15Å; L94-V122 HydrophobicContact CG-CG2 4.37Å; L94-F123 WeakPolarHBondContact O-CA 3.43Å; L94-F123 PolarHBondContact O-N 2.88Å; L94-F123 VanDerWaalsContact O-O 3.07Å; L94-I165 CarbonylContact C-O 3.17Å; L94-I165 VanDerWaalsContact CA-O 3.3Å; L94-I165 WeakPolarHBondContact CA-O 3.46Å; L94-I165 HydrophobicContact CD2-CB 3.77Å; L94-I165 HydrophobicContact CD2-CD1 4.07Å; L94-I165 HydrophobicContact CD2-CG1 4.46Å; L94-I165 HydrophobicContact CD2-CG2 3.99Å; L94-Y167 HydrophobicContact CD1-CD2 4.41Å
95	L	98.9	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	94.8	157.8	172.5	58.4	0	0	0	107.1	F123 Y125 V146 A149 W150 L153 V164 I165 Y167 L179	L95-F123 CarbonylContact C-O 3.58Å; L95-F123 WeakPolarHBondContact CA-O 3.46Å; L95-F123 HydrophobicContact CD1-CD1 3.65Å; L95-F123 HydrophobicContact CD1-CE1 4.2Å; L95-Y125 HydrophobicContact CD1-CD1 4.1Å; L95-Y125 HydrophobicContact CD1-CE1 4.02Å; L95-V146 HydrophobicContact CD2-CG2 4.38Å; L95-A149 HydrophobicContact CD1-CB 4.03Å; L95-W150 HydrophobicContact CD2-CB 4.2Å; L95-W150 HydrophobicContact CD2-CE3 3.8Å; L95-L153 HydrophobicContact CB-CD2 4.21Å; L95-V164 HydrophobicContact CB-CG1 3.76Å; L95-I165 PolarHBondContact N-O 2.79Å; L95-Y167 PolarHBondContact O-N 3.27Å; L95-L179 HydrophobicContact CD2-CD2 3.62Å
96	F	98.9	Very high	96.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	118	-171.4	-157.9	-73.1	0	0	0	110.9	L94 H98 M107 F110 Y111 L114 V122 F123 S124 Y167 Q169	L94-F96 HydrophobicContact CD1-CD2 4.29Å; F96-H98 HydrophobicContact CD1-CB 4.4Å; F96-H98 HydrophobicContact CE1-CB 4.4Å; F96-M107 HydrophobicContact CE1-CE 4.09Å; F96-M107 HydrophobicContact CZ-CE 4.4Å; F96-F110 AromaticContact CE2-CE1 3.86Å; F96-F110 HydrophobicContact CE2-CE1 3.86Å; F96-F110 AromaticContact CZ-CE1 3.77Å; F96-F110 HydrophobicContact CZ-CE1 3.77Å; F96-Y111 HydrophobicContact CB-CE1 4.24Å; F96-Y111 AromaticContact CD1-CE1 3.61Å; F96-Y111 HydrophobicContact CD1-CE1 3.61Å; F96-Y111 HydrophobicContact CD2-CE1 4.2Å; F96-Y111 AromaticContact CE1-CE1 3.94Å; F96-Y111 HydrophobicContact CE1-CE1 3.94Å; F96-Y111 HydrophobicContact CE2-CE1 4.48Å; F96-Y111 HydrophobicContact CG-CD1 4.49Å; F96-Y111 AromaticContact CG-CE1 3.76Å; F96-Y111 HydrophobicContact CG-CE1 3.76Å; F96-Y111 HydrophobicContact CZ-CE1 4.37Å; F96-L114 HydrophobicContact CE2-CD2 4.02Å; F96-V122 HydrophobicContact CB-CG1 4.11Å; F96-F123 PolarHBondContact N-O 2.75Å; F96-S124 WeakPolarHBondContact O-CA 3.4Å; F96-S124 PolarHBondContact O-OG 2.64Å; F96-Y167 CarbonylContact C-O 3.54Å; F96-Y167 WeakPolarHBondContact CA-O 3.33Å; F96-Y167 HydrophobicContact CD1-CD1 4.39Å; F96-Y167 AromaticContact CD2-CD1 3.43Å; F96-Y167 HydrophobicContact CD2-CD1 3.43Å; F96-Y167 VanDerWaalsContact CD2-CD1 3.43Å; F96-Y167 HydrophobicContact CD2-CD2 4.33Å; F96-Y167 HydrophobicContact CD2-CE1 4.03Å; F96-Y167 AromaticContact CD2-CG 3.63Å; F96-Y167 HydrophobicContact CD2-CG 3.63Å; F96-Y167 HydrophobicContact CE1-CD1 4.15Å; F96-Y167 HydrophobicContact CE1-CE1 4.31Å; F96-Y167 AromaticContact CE2-CD1 3.12Å; F96-Y167 HydrophobicContact CE2-CD1 3.12Å; F96-Y167 HydrophobicContact CE2-CD2 4.19Å; F96-Y167 AromaticContact CE2-CE1 3.23Å; F96-Y167 HydrophobicContact CE2-CE1 3.23Å; F96-Y167 HydrophobicContact CE2-CE2 4.25Å; F96-Y167 AromaticContact CE2-CG 3.68Å; F96-Y167 HydrophobicContact CE2-CG 3.68Å; F96-Y167 AromaticContact CE2-CZ 3.82Å; F96-Y167 HydrophobicContact CG-CD1 4.07Å; F96-Y167 HydrophobicContact CG-CG 4.42Å; F96-Y167 AromaticContact CZ-CD1 3.53Å; F96-Y167 HydrophobicContact CZ-CD1 3.53Å; F96-Y167 AromaticContact CZ-CE1 3.4Å; F96-Y167 HydrophobicContact CZ-CE1 3.4Å; F96-Y167 HydrophobicContact CZ-CG 4.48Å; F96-Q169 HydrophobicContact CE1-CB 4.32Å; F96-Q169 HydrophobicContact CZ-CB 4.37Å
97	S	98.9	Very high	96.6	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	108.9	170.5	-53.8	0	0	0	0	107.9	Y125 Y127 Y167 Q169 G172 S176	S97-Y125 WeakPolarHBondContact CB-OH 3.36Å; S97-Y125 PolarHBondContact OG-OH 3.41Å; S97-Y127 VanDerWaalsContact C-OH 3.3Å; S97-Y167 PolarHBondContact N-O 2.88Å; S97-Q169 PolarHBondContact O-N 3.06Å; S97-Q169 VanDerWaalsContact O-N 3.1Å; S97-G172 WeakPolarHBondContact CB-O 3.36Å; S97-G172 WeakPolarHBondContact O-CA 3.21Å; S97-S176 PolarHBondContact OG-OG 2.73Å
98	H	98.6	Very high	96.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.			trans	-72.1	164.7	-170.7	66	80.1	0	0	0	113.9	F96 V102 M107 Y125 D126 Y127 Y130	F96-H98 HydrophobicContact CD1-CB 4.4Å; F96-H98 HydrophobicContact CE1-CB 4.4Å; H98-V102 HydrophobicContact CB-CG2 4.07Å; H98-V102 PolarHBondContact CE1-O 3.37Å; H98-V102 VanDerWaalsContact CE1-O 3.31Å; H98-M107 HydrophobicContact CB-CG 4.34Å; H98-Y125 PolarHBondContact CD2-O 3.14Å; H98-Y125 PolarHBondContact NE2-O 2.95Å; H98-D126 IonicContact CE1-OD1 3.25Å; H98-D126 IonicContact NE2-OD1 2.78Å; H98-D126 PolarHBondContact NE2-OD1 3Å; H98-Y127 AromaticContact CE1-CD2 3.56Å; H98-Y127 AromaticContact CE1-CE2 3.43Å; H98-Y127 VanDerWaalsContact CE1-CE2 3.43Å; H98-Y127 WeakPolarHBondContact CE1-CE2 3.29Å; H98-Y127 PolarHBondContact N-OH 2.97Å; H98-Y127 AromaticContact ND1-CE2 3.73Å; H98-Y127 AromaticContact NE2-CD2 3.8Å; H98-Y127 AromaticContact NE2-CE2 3.74Å; H98-Y127 WeakPolarHBondContact O-CE2 3.19Å; H98-Y127 PolarHBondContact O-OH 3.41Å; H98-Y130 AromaticContact CE1-CD1 3.83Å
99	G	96.2	Very high	97.2	Very high	6 Å²	6	22.4 Å²	22.4	6%	0.062	13%	0.128	C	C	.	.			trans	-66.8	-178.6	175.4	0	0	0	0	0	113.7	V102 Q169	G99-V102 WeakPolarHBondContact O-CG2 3.01Å; G99-Q169 WeakPolarHBondContact CA-O 3.45Å
100	N	94.1	Very high	97.4	Very high	42 Å²	42	21.1 Å²	21.1	23%	0.225	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	167.3	171	-162.3	13.5	0	0	0	110.6	A27 L29 V102 Y130 I171	A27-N100 PolarHBondContact O-ND2 3.18Å; L29-N100 PolarHBondContact N-OD1 3.33Å; N100-V102 PolarHBondContact O-N 3.05Å; N100-Y130 PolarHBondContact OD1-OH 3.32Å; N100-I171 HydrophobicContact CB-CG2 3.97Å
101	A	93.7	Very high	97.5	Very high	51 Å²	51	20.1 Å²	20.1	42%	0.421	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	16.6	173	0	0	0	0	0	116.7	L29	L29-A101 HydrophobicContact CB-CB 4.48Å; L29-A101 WeakPolarHBondContact O-CA 3.4Å; L29-A101 PolarHBondContact O-N 3.04Å
102	V	95.9	Very high	97.6	Very high	35 Å²	35	14.7 Å²	14.7	21%	0.212	8%	0.084	C	C	.	.			trans	-129.9	157.4	172.9	-61.5	0	0	0	0	110.1	H98 G99 N100 M107 Y130	H98-V102 HydrophobicContact CB-CG2 4.07Å; H98-V102 PolarHBondContact CE1-O 3.37Å; H98-V102 VanDerWaalsContact CE1-O 3.31Å; G99-V102 WeakPolarHBondContact O-CG2 3.01Å; N100-V102 PolarHBondContact O-N 3.05Å; V102-M107 HydrophobicContact CB-CG 4.12Å; V102-M107 HydrophobicContact CB-SD 4.13Å; V102-M107 HydrophobicContact CG1-SD 4.32Å; V102-M107 HydrophobicContact CG2-CG 3.92Å; V102-M107 HydrophobicContact CG2-SD 3.92Å; V102-Y130 WeakPolarHBondContact O-CD1 3.09Å
103	D	98.4	Very high	97.5	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.084	C	C	.	.			trans	-124.6	174.2	168.8	74	3.5	0	0	0	111.3	P31 P33 T34 Y35 G105 Q106 M107 D126	P31-D103 HydrophobicContact CG-CB 4.08Å; P33-D103 WeakPolarHBondContact CA-OD2 3.45Å; T34-D103 PolarHBondContact N-OD2 3.32Å; T34-D103 PolarHBondContact OG1-OD1 3.43Å; T34-D103 PolarHBondContact OG1-OD2 2.54Å; Y35-D103 WeakPolarHBondContact CD1-OD2 3.1Å; Y35-D103 HydrophobicContact CE1-CB 4.16Å; D103-G105 PolarHBondContact O-N 2.77Å; D103-G105 VanDerWaalsContact O-N 3.16Å; D103-G105 WeakPolarHBondContact OD1-CA 3.42Å; D103-G105 PolarHBondContact OD1-N 3.35Å; D103-Q106 PolarHBondContact O-N 2.87Å; D103-Q106 PolarHBondContact OD1-N 3.1Å; D103-M107 WeakPolarHBondContact O-CG 3.49Å; D103-M107 PolarHBondContact O-N 3.4Å; D103-M107 VanDerWaalsContact O-N 3.12Å; D103-D126 WeakPolarHBondContact CA-OD1 3.25Å
104	L	98.6	Very high	97.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.084	C	C	.	.	H	α-helix	trans	-55.7	-30.7	178.1	-72.5	177.5	0	0	0	114.3	Y35 A80 M82 S108 Y111 S124 D126	Y35-L104 HydrophobicContact CE1-CB 3.85Å; A80-L104 HydrophobicContact CB-CD1 4.03Å; M82-L104 HydrophobicContact CB-CD1 3.96Å; M82-L104 HydrophobicContact CB-CD2 4.03Å; M82-L104 HydrophobicContact CB-CG 4.46Å; M82-L104 HydrophobicContact CE-CB 3.93Å; M82-L104 WeakPolarHBondContact CE-O 3.41Å; L104-S108 PolarHBondContact O-N 2.97Å; L104-S108 VanDerWaalsContact O-N 3.14Å; L104-Y111 HydrophobicContact CD2-CE2 4.03Å; L104-S124 VanDerWaalsContact CD2-OG 3.32Å; L104-S124 WeakPolarHBondContact CD2-OG 3.39Å; L104-D126 HydrophobicContact CD1-CB 4.34Å; L104-D126 HydrophobicContact CG-CB 4.33Å; L104-D126 PolarHBondContact N-OD1 3.08Å
105	G	98	Very high	97.4	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-65.1	-51.9	179.1	0	0	0	0	0	111.2	T34 Y35 D103 M107 S108	T34-G105 WeakPolarHBondContact OG1-CA 3.16Å; Y35-G105 VanDerWaalsContact CD1-N 3.34Å; D103-G105 PolarHBondContact O-N 2.77Å; D103-G105 VanDerWaalsContact O-N 3.16Å; D103-G105 WeakPolarHBondContact OD1-CA 3.42Å; D103-G105 PolarHBondContact OD1-N 3.35Å; G105-M107 VanDerWaalsContact C-N 3.29Å; G105-M107 PolarHBondContact O-N 2.82Å; G105-S108 WeakPolarHBondContact O-CB 3.4Å; G105-S108 PolarHBondContact O-N 2.98Å; G105-S108 PolarHBondContact O-OG 2.87Å
106	Q	97.2	Very high	97.3	Very high	69 Å²	69	17.5 Å²	17.5	32%	0.322	10%	0.104	S	C	.	.	H	α-helix	trans	-63	-36.4	177.6	-65.3	178.6	-68.8	0	0	112.2	T34 D103 S108	T34-Q106 HydrophobicContact CG2-CG 3.44Å; T34-Q106 VanDerWaalsContact CG2-CG 3.44Å; T34-Q106 PolarHBondContact OG1-N 2.94Å; D103-Q106 PolarHBondContact O-N 2.87Å; D103-Q106 PolarHBondContact OD1-N 3.1Å; Q106-S108 VanDerWaalsContact C-N 3.29Å; Q106-S108 PolarHBondContact O-N 3.16Å
107	M	98.1	Very high	97.2	Very high	17 Å²	17	24.3 Å²	24.3	8%	0.084	13%	0.13	C	C	.	.	H	α-helix	trans	-79.1	-11.4	-177.8	-64.6	-61.2	-67.1	0	0	113.9	F96 H98 V102 D103 G105 S109 F110 Y111	F96-M107 HydrophobicContact CE1-CE 4.09Å; F96-M107 HydrophobicContact CZ-CE 4.4Å; H98-M107 HydrophobicContact CB-CG 4.34Å; V102-M107 HydrophobicContact CB-CG 4.12Å; V102-M107 HydrophobicContact CB-SD 4.13Å; V102-M107 HydrophobicContact CG1-SD 4.32Å; V102-M107 HydrophobicContact CG2-CG 3.92Å; V102-M107 HydrophobicContact CG2-SD 3.92Å; D103-M107 WeakPolarHBondContact O-CG 3.49Å; D103-M107 PolarHBondContact O-N 3.4Å; D103-M107 VanDerWaalsContact O-N 3.12Å; G105-M107 VanDerWaalsContact C-N 3.29Å; G105-M107 PolarHBondContact O-N 2.82Å; M107-S109 PolarHBondContact O-N 3.39Å; M107-F110 HydrophobicContact CE-CB 4.48Å; M107-F110 HydrophobicContact CE-CD1 3.55Å; M107-F110 HydrophobicContact CE-CE1 4.03Å; M107-F110 HydrophobicContact CE-CG 4.18Å; M107-F110 WeakPolarHBondContact O-CB 3.46Å; M107-F110 PolarHBondContact O-N 2.93Å; M107-F110 VanDerWaalsContact O-N 3.13Å; M107-Y111 HydrophobicContact CB-CD2 4.04Å; M107-Y111 HydrophobicContact CB-CE1 3.92Å; M107-Y111 HydrophobicContact CB-CE2 3.34Å; M107-Y111 WeakPolarHBondContact CB-OH 3.5Å; M107-Y111 HydrophobicContact CE-CE1 3.85Å; M107-Y111 HydrophobicContact CG-CE2 4.47Å; M107-Y111 VanDerWaalsContact O-CD2 3.27Å; M107-Y111 WeakPolarHBondContact O-CD2 3.43Å; M107-Y111 VanDerWaalsContact O-CG 3.26Å; M107-Y111 PolarHBondContact O-N 3.01Å
108	S	97.8	Very high	97.2	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-58.9	-45.4	-172.7	63.1	0	0	0	0	113.6	W56 L104 G105 Q106 Y111 I112	W56-S108 VanDerWaalsContact CE3-OG 3.29Å; W56-S108 WeakPolarHBondContact CZ3-OG 3.27Å; L104-S108 PolarHBondContact O-N 2.97Å; L104-S108 VanDerWaalsContact O-N 3.14Å; G105-S108 WeakPolarHBondContact O-CB 3.4Å; G105-S108 PolarHBondContact O-N 2.98Å; G105-S108 PolarHBondContact O-OG 2.87Å; Q106-S108 VanDerWaalsContact C-N 3.29Å; Q106-S108 PolarHBondContact O-N 3.16Å; S108-Y111 PolarHBondContact O-N 2.92Å; S108-I112 PolarHBondContact O-N 2.86Å
109	S	97.4	Very high	97.1	Very high	7 Å²	7	28 Å²	28	5%	0.049	15%	0.15	C	C	.	.	H	α-helix	trans	-60.8	-45.7	175	-62.9	0	0	0	0	111.1	D55 W56 Q57 Y58 M107 Y111 I112 G113	D55-S109 PolarHBondContact O-OG 3.32Å; W56-S109 WeakPolarHBondContact CA-OG 3.32Å; Q57-S109 PolarHBondContact N-OG 2.87Å; Q57-S109 VanDerWaalsContact N-OG 3.1Å; Y58-S109 WeakPolarHBondContact CE2-O 3.29Å; M107-S109 PolarHBondContact O-N 3.39Å; S109-Y111 PolarHBondContact O-N 2.84Å; S109-I112 PolarHBondContact O-N 3.17Å; S109-G113 PolarHBondContact O-N 3.29Å
110	F	97.4	Very high	97.2	Very high	56 Å²	56	27.7 Å²	27.7	25%	0.246	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-44.2	179	173.7	-97.1	0	0	0	111.7	F96 M107 I112 G113 L114 E268	F96-F110 AromaticContact CE2-CE1 3.86Å; F96-F110 HydrophobicContact CE2-CE1 3.86Å; F96-F110 AromaticContact CZ-CE1 3.77Å; F96-F110 HydrophobicContact CZ-CE1 3.77Å; M107-F110 HydrophobicContact CE-CB 4.48Å; M107-F110 HydrophobicContact CE-CD1 3.55Å; M107-F110 HydrophobicContact CE-CE1 4.03Å; M107-F110 HydrophobicContact CE-CG 4.18Å; M107-F110 WeakPolarHBondContact O-CB 3.46Å; M107-F110 PolarHBondContact O-N 2.93Å; M107-F110 VanDerWaalsContact O-N 3.13Å; F110-I112 PolarHBondContact O-N 3.45Å; F110-G113 PolarHBondContact O-N 3.16Å; F110-L114 HydrophobicContact CE1-CB 4.33Å; F110-L114 HydrophobicContact CE1-CD2 3.71Å; F110-L114 HydrophobicContact CZ-CB 4.3Å; F110-L114 HydrophobicContact CZ-CD2 3.8Å; F110-L114 VanDerWaalsContact O-CB 3.3Å; F110-L114 WeakPolarHBondContact O-CB 3.4Å; F110-L114 PolarHBondContact O-N 3.46Å; F110-E268 HydrophobicContact CE2-CB 4.33Å; F110-E268 HydrophobicContact CE2-CG 3.95Å; F110-E268 HydrophobicContact CZ-CG 4.23Å
111	Y	98.4	Very high	97.5	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62	-41.5	179.7	-62.9	-32.7	0	0	0	113.3	M82 V84 C86 F96 L104 M107 S108 S109 G115 V122 S124	M82-Y111 HydrophobicContact SD-CD2 4.02Å; M82-Y111 HydrophobicContact SD-CE2 4.38Å; V84-Y111 HydrophobicContact CG2-CD2 4.43Å; C86-Y111 PolarHBondContact SG-O 3.17Å; F96-Y111 HydrophobicContact CB-CE1 4.24Å; F96-Y111 AromaticContact CD1-CE1 3.61Å; F96-Y111 HydrophobicContact CD1-CE1 3.61Å; F96-Y111 HydrophobicContact CD2-CE1 4.2Å; F96-Y111 AromaticContact CE1-CE1 3.94Å; F96-Y111 HydrophobicContact CE1-CE1 3.94Å; F96-Y111 HydrophobicContact CE2-CE1 4.48Å; F96-Y111 HydrophobicContact CG-CD1 4.49Å; F96-Y111 AromaticContact CG-CE1 3.76Å; F96-Y111 HydrophobicContact CG-CE1 3.76Å; F96-Y111 HydrophobicContact CZ-CE1 4.37Å; L104-Y111 HydrophobicContact CD2-CE2 4.03Å; M107-Y111 HydrophobicContact CB-CD2 4.04Å; M107-Y111 HydrophobicContact CB-CE1 3.92Å; M107-Y111 HydrophobicContact CB-CE2 3.34Å; M107-Y111 WeakPolarHBondContact CB-OH 3.5Å; M107-Y111 HydrophobicContact CE-CE1 3.85Å; M107-Y111 HydrophobicContact CG-CE2 4.47Å; M107-Y111 VanDerWaalsContact O-CD2 3.27Å; M107-Y111 WeakPolarHBondContact O-CD2 3.43Å; M107-Y111 VanDerWaalsContact O-CG 3.26Å; M107-Y111 PolarHBondContact O-N 3.01Å; S108-Y111 PolarHBondContact O-N 2.92Å; S109-Y111 PolarHBondContact O-N 2.84Å; Y111-G115 PolarHBondContact O-N 2.92Å; Y111-V122 HydrophobicContact CD1-CG1 3.68Å; Y111-V122 HydrophobicContact CD2-CG1 4.45Å; Y111-V122 HydrophobicContact CE1-CG1 4.31Å; Y111-V122 HydrophobicContact CG-CG1 3.77Å; Y111-S124 PolarHBondContact OH-OG 2.95Å
112	I	97.1	Very high	97.7	Very high	11 Å²	11	24.4 Å²	24.4	6%	0.056	12%	0.122	C	C	.	.	H	α-helix	trans	-62	-50.5	173.4	-71.4	-172.1	0	0	0	110.3	W56 Y58 E62 I66 V84 S108 S109 F110 L114 S116	W56-I112 HydrophobicContact CH2-CD1 3.39Å; W56-I112 HydrophobicContact CZ2-CD1 4.26Å; W56-I112 HydrophobicContact CZ3-CD1 4.11Å; Y58-I112 HydrophobicContact CD1-CG2 4.25Å; Y58-I112 HydrophobicContact CD2-CB 4.48Å; Y58-I112 HydrophobicContact CD2-CG2 4.37Å; Y58-I112 HydrophobicContact CE1-CG2 3.89Å; Y58-I112 HydrophobicContact CE2-CB 4.1Å; Y58-I112 HydrophobicContact CE2-CG2 4.03Å; Y58-I112 HydrophobicContact CG-CG2 4.48Å; E62-I112 HydrophobicContact CB-CD1 4.01Å; I66-I112 HydrophobicContact CD1-CD1 4.17Å; I66-I112 HydrophobicContact CG1-CD1 4.35Å; V84-I112 HydrophobicContact CG1-CD1 4.32Å; V84-I112 HydrophobicContact CG1-CG1 3.43Å; V84-I112 VanDerWaalsContact CG1-CG1 3.43Å; S108-I112 PolarHBondContact O-N 2.86Å; S109-I112 PolarHBondContact O-N 3.17Å; F110-I112 PolarHBondContact O-N 3.45Å; I112-L114 PolarHBondContact O-N 3.16Å; I112-S116 VanDerWaalsContact O-CB 3.24Å; I112-S116 WeakPolarHBondContact O-CB 3.4Å; I112-S116 PolarHBondContact O-N 2.67Å; I112-S116 PolarHBondContact O-OG 3.38Å
113	G	96.9	Very high	97.9	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-62.2	-42.8	-177.4	0	0	0	0	0	113	Y58 S109 F110 R117	Y58-G113 VanDerWaalsContact OH-CA 3.23Å; Y58-G113 WeakPolarHBondContact OH-CA 3.34Å; Y58-G113 PolarHBondContact OH-N 3.43Å; S109-G113 PolarHBondContact O-N 3.29Å; F110-G113 PolarHBondContact O-N 3.16Å; G113-R117 VanDerWaalsContact C-NH1 3.33Å; G113-R117 WeakPolarHBondContact O-CB 3.39Å; G113-R117 VanDerWaalsContact O-CD 3.29Å; G113-R117 WeakPolarHBondContact O-CD 3.29Å; G113-R117 WeakPolarHBondContact O-CG 3.32Å; G113-R117 PolarHBondContact O-N 3.27Å; G113-R117 PolarHBondContact O-NH1 2.77Å; G113-R117 VanDerWaalsContact O-NH1 3.11Å
114	L	97.8	Very high	97.9	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-68	-58.6	177.9	176.8	61.6	0	0	0	110.6	L94 F96 F110 I112 S116 R117 I118 Y273 L277	L94-L114 HydrophobicContact CD1-CD2 3.89Å; L94-L114 HydrophobicContact CD1-CG 4.47Å; F96-L114 HydrophobicContact CE2-CD2 4.02Å; F110-L114 HydrophobicContact CE1-CB 4.33Å; F110-L114 HydrophobicContact CE1-CD2 3.71Å; F110-L114 HydrophobicContact CZ-CB 4.3Å; F110-L114 HydrophobicContact CZ-CD2 3.8Å; F110-L114 VanDerWaalsContact O-CB 3.3Å; F110-L114 WeakPolarHBondContact O-CB 3.4Å; F110-L114 PolarHBondContact O-N 3.46Å; I112-L114 PolarHBondContact O-N 3.16Å; L114-S116 VanDerWaalsContact C-N 3.29Å; L114-S116 PolarHBondContact O-N 2.83Å; L114-R117 PolarHBondContact O-N 2.88Å; L114-I118 HydrophobicContact CD1-CD1 4.14Å; L114-I118 HydrophobicContact CD1-CG2 4.1Å; L114-I118 HydrophobicContact CG-CD1 4.18Å; L114-I118 WeakPolarHBondContact O-CG1 3.28Å; L114-I118 PolarHBondContact O-N 2.71Å; L114-Y273 HydrophobicContact CD1-CE1 4.1Å; L114-L277 HydrophobicContact CD1-CD1 3.94Å
115	G	98	Very high	97.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-58.9	-40.6	-173.4	0	0	0	0	0	112.7	C86 Y111 R117 I118 N119 C120	C86-G115 VanDerWaalsContact CB-C 3.49Å; Y111-G115 PolarHBondContact O-N 2.92Å; G115-R117 VanDerWaalsContact C-N 3.33Å; G115-R117 PolarHBondContact O-N 2.8Å; G115-I118 PolarHBondContact O-N 3.18Å; G115-N119 WeakPolarHBondContact O-CA 3.32Å; G115-N119 PolarHBondContact O-N 3.48Å; G115-C120 CarbonylContact C-O 3.54Å; G115-C120 VanDerWaalsContact C-O 3.22Å; G115-C120 WeakPolarHBondContact CA-O 3.35Å; G115-C120 PolarHBondContact O-N 3.26Å; G115-C120 VanDerWaalsContact O-O 3.09Å
116	S	96.8	Very high	97.9	Very high	63 Å²	63	22.7 Å²	22.7	44%	0.441	11%	0.112	S	C	.	.	H	α-helix	trans	-64.8	-38	178.1	-54.2	0	0	0	0	111.9	I112 L114	I112-S116 VanDerWaalsContact O-CB 3.24Å; I112-S116 WeakPolarHBondContact O-CB 3.4Å; I112-S116 PolarHBondContact O-N 2.67Å; I112-S116 PolarHBondContact O-OG 3.38Å; L114-S116 VanDerWaalsContact C-N 3.29Å; L114-S116 PolarHBondContact O-N 2.83Å
117	R	97.2	Very high	98	Very high	143 Å²	143	19.5 Å²	19.5	54%	0.54	10%	0.096	S	C	.	.	H	α-helix	trans	-78.9	-25.9	-177.2	-68.2	175.4	-175.2	117.6	-7.9	113.3	G113 L114 G115 L274 K278	G113-R117 VanDerWaalsContact C-NH1 3.33Å; G113-R117 WeakPolarHBondContact O-CB 3.39Å; G113-R117 VanDerWaalsContact O-CD 3.29Å; G113-R117 WeakPolarHBondContact O-CD 3.29Å; G113-R117 WeakPolarHBondContact O-CG 3.32Å; G113-R117 PolarHBondContact O-N 3.27Å; G113-R117 PolarHBondContact O-NH1 2.77Å; G113-R117 VanDerWaalsContact O-NH1 3.11Å; L114-R117 PolarHBondContact O-N 2.88Å; G115-R117 VanDerWaalsContact C-N 3.33Å; G115-R117 PolarHBondContact O-N 2.8Å; R117-L274 HydrophobicContact CB-CD1 3.68Å; R117-L274 HydrophobicContact CB-CD2 4.02Å; R117-L274 HydrophobicContact CB-CG 4.44Å; R117-L274 HydrophobicContact CG-CD2 4.33Å; R117-K278 WeakPolarHBondContact O-CE 3.35Å
118	I	97.4	Very high	98	Very high	9 Å²	9	18.7 Å²	18.7	5%	0.046	9%	0.093	C	C	.	.	H	α-helix	trans	-104	7.8	177.3	73.4	174.8	0	0	0	113.2	L94 L114 G115 C120 L274 L277 K278 V281	L94-I118 HydrophobicContact CD1-CD1 4.02Å; L94-I118 HydrophobicContact CD2-CD1 4.35Å; L114-I118 HydrophobicContact CD1-CD1 4.14Å; L114-I118 HydrophobicContact CD1-CG2 4.1Å; L114-I118 HydrophobicContact CG-CD1 4.18Å; L114-I118 WeakPolarHBondContact O-CG1 3.28Å; L114-I118 PolarHBondContact O-N 2.71Å; G115-I118 PolarHBondContact O-N 3.18Å; I118-C120 VanDerWaalsContact C-N 3.32Å; I118-C120 HydrophobicContact CD1-CB 4.03Å; I118-C120 HydrophobicContact CG1-CB 3.82Å; I118-C120 PolarHBondContact O-N 3.23Å; I118-L274 HydrophobicContact CG2-CD1 3.53Å; I118-L277 HydrophobicContact CG2-CB 4Å; I118-K278 HydrophobicContact CG2-CG 4.15Å; I118-V281 HydrophobicContact CD1-CG2 4.47Å
119	N	97.7	Very high	98	Very high	69 Å²	69	19.8 Å²	19.8	37%	0.369	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	44.3	-176.6	-167	48.6	0	0	0	113.7	S87 S89 G115	S87-N119 WeakPolarHBondContact CB-OD1 3.38Å; S87-N119 PolarHBondContact OG-OD1 2.9Å; S89-N119 PolarHBondContact OG-OD1 2.88Å; G115-N119 WeakPolarHBondContact O-CA 3.32Å; G115-N119 PolarHBondContact O-N 3.48Å
120	C	98.4	Very high	98	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.9	175.4	-70.3	0	0	0	0	111.2	C86 F92 L94 G115 I118 V281	C86-C120 VanDerWaalsContact CB-O 3.31Å; C86-C120 WeakPolarHBondContact CB-O 3.42Å; F92-C120 WeakPolarHBondContact O-CA 3.25Å; L94-C120 HydrophobicContact CD2-CB 4.24Å; L94-C120 HydrophobicContact CG-CB 4.11Å; G115-C120 CarbonylContact C-O 3.54Å; G115-C120 VanDerWaalsContact C-O 3.22Å; G115-C120 WeakPolarHBondContact CA-O 3.35Å; G115-C120 PolarHBondContact O-N 3.26Å; G115-C120 VanDerWaalsContact O-O 3.09Å; I118-C120 VanDerWaalsContact C-N 3.32Å; I118-C120 HydrophobicContact CD1-CB 4.03Å; I118-C120 HydrophobicContact CG1-CB 3.82Å; I118-C120 PolarHBondContact O-N 3.23Å; C120-V281 VanDerWaalsContact SG-CG1 3.56Å
121	N	98.7	Very high	98	Very high	23 Å²	23	17.5 Å²	17.5	12%	0.123	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	154.5	162.2	-86	-19.6	0	0	0	109.8	F83 R85 C86 A90 F92 T93 L94	F83-N121 HydrophobicContact CE2-CB 3.82Å; F83-N121 HydrophobicContact CZ-CB 4.3Å; R85-N121 WeakPolarHBondContact CA-OD1 3.47Å; C86-N121 PolarHBondContact N-OD1 2.72Å; A90-N121 HydrophobicContact CB-CB 4.25Å; F92-N121 PolarHBondContact O-N 3.07Å; T93-N121 CarbonylContact C-O 3.58Å; T93-N121 WeakPolarHBondContact CA-O 3.42Å; T93-N121 HydrophobicContact CG2-CB 3.94Å; T93-N121 WeakPolarHBondContact OG1-CB 3.49Å; L94-N121 PolarHBondContact N-O 3.25Å
122	V	98.9	Very high	98	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.4	179.4	-175.5	0	0	0	0	110.7	F83 V84 L94 F96 Y111	F83-V122 WeakPolarHBondContact CD2-O 3.42Å; V84-V122 HydrophobicContact CB-CB 4.35Å; V84-V122 PolarHBondContact N-O 3.38Å; V84-V122 PolarHBondContact O-N 3.26Å; L94-V122 HydrophobicContact CB-CG1 4.44Å; L94-V122 HydrophobicContact CB-CG2 4.45Å; L94-V122 HydrophobicContact CD1-CG2 4.15Å; L94-V122 HydrophobicContact CG-CG2 4.37Å; F96-V122 HydrophobicContact CB-CG1 4.11Å; Y111-V122 HydrophobicContact CD1-CG1 3.68Å; Y111-V122 HydrophobicContact CD2-CG1 4.45Å; Y111-V122 HydrophobicContact CE1-CG1 4.31Å; Y111-V122 HydrophobicContact CG-CG1 3.77Å
123	F	98.9	Very high	98.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120.8	171.2	-174.1	-90	0	0	0	109.5	F69 C81 M82 F83 T93 L94 L95 F96 A149 L153 Y157	F69-F123 AromaticContact CE1-CE2 3.83Å; F69-F123 HydrophobicContact CE1-CE2 3.83Å; F69-F123 HydrophobicContact CE1-CZ 4.26Å; F69-F123 AromaticContact CZ-CE2 3.84Å; F69-F123 HydrophobicContact CZ-CE2 3.84Å; F69-F123 AromaticContact CZ-CZ 3.86Å; F69-F123 HydrophobicContact CZ-CZ 3.86Å; C81-F123 HydrophobicContact CB-CE1 4.44Å; C81-F123 HydrophobicContact CB-CE2 4.16Å; C81-F123 HydrophobicContact CB-CZ 3.68Å; M82-F123 CarbonylContact O-C 3.55Å; M82-F123 WeakPolarHBondContact O-CA 3.48Å; F83-F123 HydrophobicContact CB-CD2 3.78Å; F83-F123 HydrophobicContact CB-CE2 4.31Å; F83-F123 HydrophobicContact CD2-CB 4.43Å; F83-F123 HydrophobicContact CD2-CD2 4.44Å; F83-F123 HydrophobicContact CG-CD2 4.03Å; T93-F123 HydrophobicContact CG2-CB 4Å; L94-F123 WeakPolarHBondContact O-CA 3.43Å; L94-F123 PolarHBondContact O-N 2.88Å; L94-F123 VanDerWaalsContact O-O 3.07Å; L95-F123 CarbonylContact C-O 3.58Å; L95-F123 WeakPolarHBondContact CA-O 3.46Å; L95-F123 HydrophobicContact CD1-CD1 3.65Å; L95-F123 HydrophobicContact CD1-CE1 4.2Å; F96-F123 PolarHBondContact N-O 2.75Å; F123-A149 HydrophobicContact CE1-CB 3.97Å; F123-A149 WeakPolarHBondContact CE1-O 3.47Å; F123-L153 HydrophobicContact CB-CD1 3.61Å; F123-L153 HydrophobicContact CB-CD2 4.48Å; F123-L153 HydrophobicContact CD1-CB 4.37Å; F123-L153 HydrophobicContact CD1-CD1 4.11Å; F123-L153 HydrophobicContact CD2-CD1 3.73Å; F123-L153 HydrophobicContact CE1-CB 4.44Å; F123-L153 HydrophobicContact CE2-CD1 4.45Å; F123-L153 HydrophobicContact CG-CD1 3.54Å; F123-L153 HydrophobicContact CG-CG 4.47Å; F123-Y157 HydrophobicContact CD2-CD2 4.49Å; F123-Y157 HydrophobicContact CD2-CE2 4.14Å; F123-Y157 HydrophobicContact CE2-CD2 4.33Å; F123-Y157 AromaticContact CE2-CE2 3.74Å; F123-Y157 HydrophobicContact CE2-CE2 3.74Å
124	S	98.9	Very high	98.1	Very high	1 Å²	1	21.5 Å²	21.5	1%	0.007	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	166.7	-179.7	-170.9	0	0	0	0	110.7	C81 M82 F96 L104 Y111	C81-S124 CarbonylContact C-O 3.59Å; C81-S124 WeakPolarHBondContact CA-O 3.38Å; M82-S124 PolarHBondContact N-O 3.16Å; M82-S124 PolarHBondContact O-N 3.04Å; F96-S124 WeakPolarHBondContact O-CA 3.4Å; F96-S124 PolarHBondContact O-OG 2.64Å; L104-S124 VanDerWaalsContact CD2-OG 3.32Å; L104-S124 WeakPolarHBondContact CD2-OG 3.39Å; Y111-S124 PolarHBondContact OH-OG 2.95Å
125	Y	98.9	Very high	98.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	148.3	-178.7	61.9	-76.1	0	0	0	110.1	I79 A80 L95 S97 H98 Y127 D145 V146 A149	I79-Y125 HydrophobicContact CD1-CD2 4.1Å; A80-Y125 CarbonylContact O-C 3.56Å; A80-Y125 WeakPolarHBondContact O-CA 3.2Å; A80-Y125 WeakPolarHBondContact O-CB 3.44Å; L95-Y125 HydrophobicContact CD1-CD1 4.1Å; L95-Y125 HydrophobicContact CD1-CE1 4.02Å; S97-Y125 WeakPolarHBondContact CB-OH 3.36Å; S97-Y125 PolarHBondContact OG-OH 3.41Å; H98-Y125 PolarHBondContact CD2-O 3.14Å; H98-Y125 PolarHBondContact NE2-O 2.95Å; Y125-Y127 HydrophobicContact CD2-CD1 4.47Å; Y125-Y127 AromaticContact CE2-CD1 3.84Å; Y125-Y127 HydrophobicContact CE2-CD1 3.84Å; Y125-Y127 AromaticContact CE2-CE1 3.78Å; Y125-Y127 HydrophobicContact CE2-CE1 3.78Å; Y125-D145 HydrophobicContact CD2-CB 4.2Å; Y125-D145 HydrophobicContact CE2-CB 3.95Å; Y125-V146 HydrophobicContact CE1-CG2 4.25Å; Y125-V146 HydrophobicContact CE2-CB 4.3Å; Y125-V146 VanDerWaalsContact OH-CB 3.28Å; Y125-V146 WeakPolarHBondContact OH-CB 3.24Å; Y125-V146 VanDerWaalsContact OH-CG2 3.32Å; Y125-V146 WeakPolarHBondContact OH-CG2 3.19Å; Y125-A149 HydrophobicContact CD1-CB 3.39Å; Y125-A149 HydrophobicContact CD2-CB 4.14Å; Y125-A149 HydrophobicContact CE1-CB 3.85Å; Y125-A149 HydrophobicContact CE2-CB 4.49Å; Y125-A149 HydrophobicContact CG-CB 3.59Å
126	D	98.8	Very high	97.9	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-85.1	137.7	170.4	-87.5	-28.4	0	0	0	110.1	Y35 A80 H98 D103 L104 G131 S133	Y35-D126 WeakPolarHBondContact CE1-OD2 3.33Å; Y35-D126 VanDerWaalsContact CZ-OD2 3.22Å; Y35-D126 PolarHBondContact OH-OD2 2.97Å; A80-D126 PolarHBondContact O-N 3.25Å; H98-D126 IonicContact CE1-OD1 3.25Å; H98-D126 IonicContact NE2-OD1 2.78Å; H98-D126 PolarHBondContact NE2-OD1 3Å; D103-D126 WeakPolarHBondContact CA-OD1 3.25Å; L104-D126 HydrophobicContact CD1-CB 4.34Å; L104-D126 HydrophobicContact CG-CB 4.33Å; L104-D126 PolarHBondContact N-OD1 3.08Å; D126-G131 WeakPolarHBondContact OD2-CA 3.48Å; D126-S133 VanDerWaalsContact CB-OG 3.29Å; D126-S133 WeakPolarHBondContact CB-OG 3.34Å; D126-S133 PolarHBondContact O-OG 3.09Å
127	Y	98.4	Very high	97.8	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-60.1	155.9	170.8	-50.8	-52.1	0	0	0	111.9	S97 H98 Y125 G129 Y130 S133 L142 I171 G172 P175	S97-Y127 VanDerWaalsContact C-OH 3.3Å; H98-Y127 AromaticContact CE1-CD2 3.56Å; H98-Y127 AromaticContact CE1-CE2 3.43Å; H98-Y127 VanDerWaalsContact CE1-CE2 3.43Å; H98-Y127 WeakPolarHBondContact CE1-CE2 3.29Å; H98-Y127 PolarHBondContact N-OH 2.97Å; H98-Y127 AromaticContact ND1-CE2 3.73Å; H98-Y127 AromaticContact NE2-CD2 3.8Å; H98-Y127 AromaticContact NE2-CE2 3.74Å; H98-Y127 WeakPolarHBondContact O-CE2 3.19Å; H98-Y127 PolarHBondContact O-OH 3.41Å; Y125-Y127 HydrophobicContact CD2-CD1 4.47Å; Y125-Y127 AromaticContact CE2-CD1 3.84Å; Y125-Y127 HydrophobicContact CE2-CD1 3.84Å; Y125-Y127 AromaticContact CE2-CE1 3.78Å; Y125-Y127 HydrophobicContact CE2-CE1 3.78Å; Y127-G129 PolarHBondContact O-N 3.46Å; Y127-G129 VanDerWaalsContact O-N 3.13Å; Y127-Y130 HydrophobicContact CD2-CD1 4.42Å; Y127-Y130 HydrophobicContact CD2-CD2 4.36Å; Y127-Y130 HydrophobicContact CD2-CE1 4.39Å; Y127-Y130 HydrophobicContact CD2-CE2 4.36Å; Y127-Y130 HydrophobicContact CD2-CG 4.42Å; Y127-Y130 WeakPolarHBondContact O-CB 3.49Å; Y127-Y130 PolarHBondContact O-N 2.79Å; Y127-S133 WeakPolarHBondContact O-CB 3.49Å; Y127-L142 HydrophobicContact CD1-CD1 4.31Å; Y127-L142 HydrophobicContact CD1-CG 4.37Å; Y127-L142 HydrophobicContact CE1-CD1 4.26Å; Y127-L142 HydrophobicContact CE1-CG 4.42Å; Y127-I171 HydrophobicContact CE2-CG2 4.47Å; Y127-G172 WeakPolarHBondContact OH-CA 3.38Å; Y127-P175 HydrophobicContact CE1-CG 4.2Å
128	S	98.4	Very high	97.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	121.7	171.5	-73.7	0	0	0	0	110.9	N77 S134 K136 P137 D145	N77-S128 WeakPolarHBondContact CB-OG 3.42Å; N77-S128 WeakPolarHBondContact ND2-CB 3.46Å; N77-S128 PolarHBondContact ND2-OG 2.86Å; S128-S134 CarbonylContact C-O 3.52Å; S128-S134 WeakPolarHBondContact CA-O 3.43Å; S128-K136 CarbonylContact O-C 3.52Å; S128-P137 VanDerWaalsContact O-CA 3.23Å; S128-P137 WeakPolarHBondContact O-CA 3.35Å; S128-D145 WeakPolarHBondContact CB-OD2 3.47Å; S128-D145 PolarHBondContact N-OD2 3.49Å; S128-D145 PolarHBondContact OG-OD1 3.24Å; S128-D145 PolarHBondContact OG-OD2 3.5Å
129	G	97.5	Very high	97.5	Very high	24 Å²	24	26.2 Å²	26.2	25%	0.247	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.7	7.1	-176.5	0	0	0	0	0	116	P30 Y127 S133 S134	P30-G129 WeakPolarHBondContact CB-O 3.46Å; Y127-G129 PolarHBondContact O-N 3.46Å; Y127-G129 VanDerWaalsContact O-N 3.13Å; G129-S133 PolarHBondContact N-O 2.83Å; G129-S134 PolarHBondContact N-O 3.44Å
130	Y	98.3	Very high	97.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-105.6	148.2	171.5	-77.6	-119.6	0	0	0	110.7	F28 L29 P30 H98 N100 V102 Y127 A132 S133 P137	F28-Y130 VanDerWaalsContact CA-OH 3.31Å; F28-Y130 WeakPolarHBondContact CA-OH 3.26Å; F28-Y130 HydrophobicContact CB-CE2 4.19Å; F28-Y130 WeakPolarHBondContact CB-OH 3.27Å; F28-Y130 HydrophobicContact CD1-CE2 4.21Å; L29-Y130 PolarHBondContact N-OH 3.25Å; L29-Y130 VanDerWaalsContact N-OH 3.11Å; P30-Y130 HydrophobicContact CB-CD1 3.93Å; P30-Y130 HydrophobicContact CB-CD2 3.74Å; P30-Y130 HydrophobicContact CB-CE1 4.01Å; P30-Y130 HydrophobicContact CB-CE2 3.79Å; P30-Y130 HydrophobicContact CB-CG 3.78Å; P30-Y130 HydrophobicContact CG-CD2 4.45Å; P30-Y130 HydrophobicContact CG-CE2 4.2Å; H98-Y130 AromaticContact CE1-CD1 3.83Å; N100-Y130 PolarHBondContact OD1-OH 3.32Å; V102-Y130 WeakPolarHBondContact O-CD1 3.09Å; Y127-Y130 HydrophobicContact CD2-CD1 4.42Å; Y127-Y130 HydrophobicContact CD2-CD2 4.36Å; Y127-Y130 HydrophobicContact CD2-CE1 4.39Å; Y127-Y130 HydrophobicContact CD2-CE2 4.36Å; Y127-Y130 HydrophobicContact CD2-CG 4.42Å; Y127-Y130 WeakPolarHBondContact O-CB 3.49Å; Y127-Y130 PolarHBondContact O-N 2.79Å; Y130-A132 PolarHBondContact O-N 3.11Å; Y130-S133 WeakPolarHBondContact O-CA 3.39Å; Y130-S133 WeakPolarHBondContact O-CB 3.35Å; Y130-S133 PolarHBondContact O-N 2.7Å; Y130-P137 HydrophobicContact CD2-CB 4.48Å; Y130-P137 HydrophobicContact CE2-CB 3.92Å; Y130-P137 HydrophobicContact CE2-CG 4.34Å
131	G	97.6	Very high	97.4	Very high	15 Å²	15	30.7 Å²	30.7	16%	0.155	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-123.8	175	0	0	0	0	0	113.2	P33 D126 S133	P33-G131 WeakPolarHBondContact CG-O 3.32Å; D126-G131 WeakPolarHBondContact OD2-CA 3.48Å; G131-S133 VanDerWaalsContact C-N 3.33Å
132	A	97.5	Very high	97.3	Very high	37 Å²	37	29.6 Å²	29.6	31%	0.306	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-0.4	177.3	0	0	0	0	0	114.1	Y35 L37 M70 A80 Y130	Y35-A132 HydrophobicContact CE2-CB 3.84Å; Y35-A132 PolarHBondContact OH-N 3.49Å; L37-A132 HydrophobicContact CD1-CB 4.42Å; L37-A132 HydrophobicContact CG-CB 4.34Å; M70-A132 WeakPolarHBondContact CE-O 3.33Å; A80-A132 HydrophobicContact CB-CB 4.21Å; Y130-A132 PolarHBondContact O-N 3.11Å
133	S	98.4	Very high	97.3	Very high	11 Å²	11	31.3 Å²	31.3	8%	0.077	18%	0.182	C	C	.	.			trans	-75.2	134.6	179.7	-64.3	0	0	0	0	112.1	I79 A80 D126 Y127 G129 Y130 G131	I79-S133 VanDerWaalsContact CA-OG 3.23Å; I79-S133 WeakPolarHBondContact CA-OG 3.45Å; A80-S133 PolarHBondContact N-OG 3.28Å; D126-S133 VanDerWaalsContact CB-OG 3.29Å; D126-S133 WeakPolarHBondContact CB-OG 3.34Å; D126-S133 PolarHBondContact O-OG 3.09Å; Y127-S133 WeakPolarHBondContact O-CB 3.49Å; G129-S133 PolarHBondContact N-O 2.83Å; Y130-S133 WeakPolarHBondContact O-CA 3.39Å; Y130-S133 WeakPolarHBondContact O-CB 3.35Å; Y130-S133 PolarHBondContact O-N 2.7Å; G131-S133 VanDerWaalsContact C-N 3.33Å
134	S	98.3	Very high	97.3	Very high	50 Å²	50	31.6 Å²	31.6	35%	0.35	18%	0.184	S	C	.	.			trans	-76.3	174.6	173.9	64.8	0	0	0	0	112.6	R78 S128 G129	R78-S134 PolarHBondContact N-OG 3.23Å; R78-S134 PolarHBondContact O-N 3.11Å; R78-S134 PolarHBondContact O-OG 3.5Å; S128-S134 CarbonylContact C-O 3.52Å; S128-S134 WeakPolarHBondContact CA-O 3.43Å; G129-S134 PolarHBondContact N-O 3.44Å
135	G	96.4	Very high	97.3	Very high	42 Å²	42	31.6 Å²	31.6	43%	0.433	18%	0.184	S	C	.	.	S	Bend	trans	87.9	-151.8	174.2	0	0	0	0	0	112.6
136	K	95.4	Very high	97.3	Very high	165 Å²	165	31.6 Å²	31.6	72%	0.717	18%	0.184	S	C	*	.			trans	-141.3	149.4	-179.8	-65.6	-176.2	-178.2	-179.9	0	109.9	S128 N141	S128-K136 CarbonylContact O-C 3.52Å; K136-N141 PolarHBondContact O-ND2 2.98Å
137	P	93.8	Very high	97.3	Very high	27 Å²	27	33.8 Å²	33.8	18%	0.175	20%	0.196	C	C	.	.			trans	-73.1	137.1	179.7	30.4	-35.7	0	0	0	110.9	F28 S128 Y130	F28-P137 HydrophobicContact CB-CB 3.57Å; F28-P137 HydrophobicContact CB-CG 3.62Å; F28-P137 HydrophobicContact CD1-CB 3.91Å; F28-P137 HydrophobicContact CD2-CB 3.72Å; F28-P137 HydrophobicContact CD2-CG 4.3Å; F28-P137 HydrophobicContact CE2-CB 4.35Å; F28-P137 HydrophobicContact CG-CB 3.48Å; F28-P137 VanDerWaalsContact CG-CB 3.48Å; F28-P137 HydrophobicContact CG-CG 4.07Å; S128-P137 VanDerWaalsContact O-CA 3.23Å; S128-P137 WeakPolarHBondContact O-CA 3.35Å; Y130-P137 HydrophobicContact CD2-CB 4.48Å; Y130-P137 HydrophobicContact CE2-CB 3.92Å; Y130-P137 HydrophobicContact CE2-CG 4.34Å
138	S	94.4	Very high	97.3	Very high	35 Å²	35	34.1 Å²	34.1	25%	0.245	20%	0.199	C	C	.	.			trans	-164.5	156.4	172.1	65	0	0	0	0	108.6	K140 N141 L142	S138-K140 VanDerWaalsContact C-N 3.27Å; S138-K140 PolarHBondContact O-N 3.33Å; S138-N141 PolarHBondContact O-N 3.36Å; S138-N141 WeakPolarHBondContact OG-CB 3.27Å; S138-N141 PolarHBondContact OG-N 3.13Å; S138-N141 PolarHBondContact OG-ND2 2.9Å; S138-L142 WeakPolarHBondContact O-CB 3.42Å; S138-L142 PolarHBondContact O-N 3.11Å
139	E	93.9	Very high	97.3	Very high	51 Å²	51	34.1 Å²	34.1	24%	0.238	20%	0.199	C	C	.	.	H	α-helix	trans	-52.3	-44.9	176.6	-176	168.8	-159.8	0	0	113	N141 L142 Y143 F214	E139-N141 VanDerWaalsContact C-N 3.31Å; E139-N141 PolarHBondContact O-N 2.9Å; E139-L142 PolarHBondContact O-N 3.17Å; E139-Y143 HydrophobicContact CG-CD2 4.25Å; E139-Y143 HydrophobicContact CG-CE2 3.49Å; E139-Y143 VanDerWaalsContact CG-CE2 3.49Å; E139-Y143 WeakPolarHBondContact O-CD2 3.31Å; E139-Y143 PolarHBondContact O-N 2.82Å; E139-Y143 VanDerWaalsContact O-N 3.07Å; E139-Y143 PolarHBondContact OE1-OH 2.69Å; E139-F214 HydrophobicContact CB-CD1 3.97Å; E139-F214 HydrophobicContact CB-CE1 3.56Å; E139-F214 HydrophobicContact CG-CD1 3.66Å; E139-F214 HydrophobicContact CG-CE1 3.79Å; E139-F214 WeakPolarHBondContact OE1-CA 3.39Å; E139-F214 PolarHBondContact OE1-N 2.9Å
140	K	95.9	Very high	97.4	Very high	146 Å²	146	33.4 Å²	33.4	64%	0.635	19%	0.189	S	C	*	.	H	α-helix	trans	-63.3	-36.1	178.3	-68.2	-179.4	-178.8	178.2	0	112.9	R75 S138 A144	R75-K140 VanDerWaalsContact CD-O 3.24Å; R75-K140 WeakPolarHBondContact CD-O 3.45Å; S138-K140 VanDerWaalsContact C-N 3.27Å; S138-K140 PolarHBondContact O-N 3.33Å; K140-A144 PolarHBondContact O-N 3.44Å
141	N	97.9	Very high	97.4	Very high	16 Å²	16	38.8 Å²	38.8	9%	0.086	21%	0.213	C	C	.	.	H	α-helix	trans	-73.7	-42.8	176.5	-72.4	-15.8	0	0	0	110.2	R75 N77 K136 S138 E139 Y143 A144 D145	R75-N141 VanDerWaalsContact CD-OD1 3.22Å; R75-N141 WeakPolarHBondContact CD-OD1 3.48Å; R75-N141 PolarHBondContact NE-OD1 3.34Å; N77-N141 PolarHBondContact ND2-ND2 2.89Å; K136-N141 PolarHBondContact O-ND2 2.98Å; S138-N141 PolarHBondContact O-N 3.36Å; S138-N141 WeakPolarHBondContact OG-CB 3.27Å; S138-N141 PolarHBondContact OG-N 3.13Å; S138-N141 PolarHBondContact OG-ND2 2.9Å; E139-N141 VanDerWaalsContact C-N 3.31Å; E139-N141 PolarHBondContact O-N 2.9Å; N141-Y143 VanDerWaalsContact C-N 3.27Å; N141-Y143 PolarHBondContact O-N 3.17Å; N141-A144 CarbonylContact O-C 3.49Å; N141-A144 WeakPolarHBondContact O-CA 3.34Å; N141-A144 WeakPolarHBondContact O-CB 3.45Å; N141-A144 PolarHBondContact O-N 3.49Å; N141-D145 VanDerWaalsContact C-OD2 3.31Å; N141-D145 WeakPolarHBondContact O-CB 3.45Å; N141-D145 PolarHBondContact O-N 3.03Å; N141-D145 VanDerWaalsContact O-OD2 3.1Å
142	L	96.9	Very high	97.4	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-56.8	-38	177.8	170.4	149.6	0	0	0	112.6	F28 Y127 S138 E139 D145 V146 V174 P175	F28-L142 HydrophobicContact CE1-CD1 3.73Å; F28-L142 HydrophobicContact CZ-CD1 4.02Å; Y127-L142 HydrophobicContact CD1-CD1 4.31Å; Y127-L142 HydrophobicContact CD1-CG 4.37Å; Y127-L142 HydrophobicContact CE1-CD1 4.26Å; Y127-L142 HydrophobicContact CE1-CG 4.42Å; S138-L142 WeakPolarHBondContact O-CB 3.42Å; S138-L142 PolarHBondContact O-N 3.11Å; E139-L142 PolarHBondContact O-N 3.17Å; L142-D145 PolarHBondContact O-N 3.39Å; L142-V146 PolarHBondContact O-N 3.31Å; L142-V146 VanDerWaalsContact O-N 3.16Å; L142-V174 HydrophobicContact CD2-CB 4.17Å; L142-V174 HydrophobicContact CD2-CG1 3.83Å; L142-P175 HydrophobicContact CD1-CG 4.25Å; L142-P175 HydrophobicContact CD2-CB 3.57Å; L142-P175 HydrophobicContact CD2-CG 3.77Å; L142-P175 HydrophobicContact CG-CB 3.93Å; L142-P175 HydrophobicContact CG-CG 3.84Å
143	Y	98.6	Very high	97.4	Very high	36 Å²	36	36.6 Å²	36.6	14%	0.141	19%	0.194	C	C	.	.	H	α-helix	trans	-67.4	-41.3	169.8	-60.1	-33.6	0	0	0	113.7	E139 N141 D145 V146 D147 V174 D178 K219	E139-Y143 HydrophobicContact CG-CD2 4.25Å; E139-Y143 HydrophobicContact CG-CE2 3.49Å; E139-Y143 VanDerWaalsContact CG-CE2 3.49Å; E139-Y143 WeakPolarHBondContact O-CD2 3.31Å; E139-Y143 PolarHBondContact O-N 2.82Å; E139-Y143 VanDerWaalsContact O-N 3.07Å; E139-Y143 PolarHBondContact OE1-OH 2.69Å; N141-Y143 VanDerWaalsContact C-N 3.27Å; N141-Y143 PolarHBondContact O-N 3.17Å; Y143-D145 VanDerWaalsContact C-N 3.28Å; Y143-D145 PolarHBondContact O-N 3.37Å; Y143-V146 VanDerWaalsContact O-CG1 3.29Å; Y143-V146 WeakPolarHBondContact O-CG1 3.43Å; Y143-D147 PolarHBondContact O-N 3.15Å; Y143-D147 VanDerWaalsContact O-N 3.16Å; Y143-V174 HydrophobicContact CE1-CG1 3.84Å; Y143-D178 HydrophobicContact CD1-CB 3.63Å; Y143-D178 HydrophobicContact CE1-CB 3.48Å; Y143-D178 VanDerWaalsContact CE1-CB 3.48Å; Y143-K219 PolarHBondContact OH-NZ 2.8Å
144	A	98.8	Very high	97.4	Very high	5 Å²	5	41.2 Å²	41.2	4%	0.041	21%	0.209	C	C	.	.	H	α-helix	trans	-68.7	-29.1	176.5	0	0	0	0	0	112.8	R75 K140 N141 A148	R75-A144 HydrophobicContact CB-CB 4.23Å; R75-A144 HydrophobicContact CG-CB 3.67Å; K140-A144 PolarHBondContact O-N 3.44Å; N141-A144 CarbonylContact O-C 3.49Å; N141-A144 WeakPolarHBondContact O-CA 3.34Å; N141-A144 WeakPolarHBondContact O-CB 3.45Å; N141-A144 PolarHBondContact O-N 3.49Å; A144-A148 PolarHBondContact O-N 2.92Å
145	D	98.9	Very high	97.3	Very high	1 Å²	1	43 Å²	43	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-71.3	-48.8	-179.9	-60.8	-26.6	0	0	0	109.5	T73 I79 Y125 S128 N141 L142 Y143 D147 A148 A149	T73-D145 WeakPolarHBondContact CG2-OD1 3.24Å; I79-D145 HydrophobicContact CD1-CB 3.97Å; I79-D145 WeakPolarHBondContact CD1-O 3.41Å; I79-D145 HydrophobicContact CG2-CB 4.38Å; I79-D145 WeakPolarHBondContact CG2-OD1 3.39Å; Y125-D145 HydrophobicContact CD2-CB 4.2Å; Y125-D145 HydrophobicContact CE2-CB 3.95Å; S128-D145 WeakPolarHBondContact CB-OD2 3.47Å; S128-D145 PolarHBondContact N-OD2 3.49Å; S128-D145 PolarHBondContact OG-OD1 3.24Å; S128-D145 PolarHBondContact OG-OD2 3.5Å; N141-D145 VanDerWaalsContact C-OD2 3.31Å; N141-D145 WeakPolarHBondContact O-CB 3.45Å; N141-D145 PolarHBondContact O-N 3.03Å; N141-D145 VanDerWaalsContact O-OD2 3.1Å; L142-D145 PolarHBondContact O-N 3.39Å; Y143-D145 VanDerWaalsContact C-N 3.28Å; Y143-D145 PolarHBondContact O-N 3.37Å; D145-D147 VanDerWaalsContact C-N 3.33Å; D145-D147 PolarHBondContact O-N 3.18Å; D145-A148 WeakPolarHBondContact O-CB 3.33Å; D145-A148 PolarHBondContact O-N 3.5Å; D145-A148 VanDerWaalsContact O-N 3.17Å; D145-A149 PolarHBondContact O-N 3.4Å
146	V	98.9	Very high	97.4	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.2	-35.6	176.8	73.6	0	0	0	0	112.5	L95 Y125 L142 Y143 A148 A149 W150 P175 L179	L95-V146 HydrophobicContact CD2-CG2 4.38Å; Y125-V146 HydrophobicContact CE1-CG2 4.25Å; Y125-V146 HydrophobicContact CE2-CB 4.3Å; Y125-V146 VanDerWaalsContact OH-CB 3.28Å; Y125-V146 WeakPolarHBondContact OH-CB 3.24Å; Y125-V146 VanDerWaalsContact OH-CG2 3.32Å; Y125-V146 WeakPolarHBondContact OH-CG2 3.19Å; L142-V146 PolarHBondContact O-N 3.31Å; L142-V146 VanDerWaalsContact O-N 3.16Å; Y143-V146 VanDerWaalsContact O-CG1 3.29Å; Y143-V146 WeakPolarHBondContact O-CG1 3.43Å; V146-A148 VanDerWaalsContact C-N 3.31Å; V146-A148 PolarHBondContact O-N 3.2Å; V146-A149 PolarHBondContact O-N 3.23Å; V146-W150 VanDerWaalsContact O-CB 3.32Å; V146-W150 WeakPolarHBondContact O-CB 3.5Å; V146-W150 PolarHBondContact O-N 2.89Å; V146-P175 HydrophobicContact CB-CB 3.7Å; V146-P175 HydrophobicContact CG1-CB 3.68Å; V146-P175 HydrophobicContact CG2-CB 4.13Å; V146-L179 HydrophobicContact CG1-CB 4.34Å; V146-L179 HydrophobicContact CG1-CD1 4.48Å; V146-L179 HydrophobicContact CG2-CB 4.27Å; V146-L179 HydrophobicContact CG2-CD2 3.97Å; V146-L179 HydrophobicContact CG2-CG 4.47Å
147	D	98.8	Very high	97.4	Very high	46 Å²	46	41.3 Å²	41.3	25%	0.246	20%	0.195	C	C	.	.	H	α-helix	trans	-61.4	-41.5	174	-82.5	-20.2	0	0	0	111.2	Y143 D145 H151 R182	Y143-D147 PolarHBondContact O-N 3.15Å; Y143-D147 VanDerWaalsContact O-N 3.16Å; D145-D147 VanDerWaalsContact C-N 3.33Å; D145-D147 PolarHBondContact O-N 3.18Å; D147-H151 VanDerWaalsContact O-CB 3.29Å; D147-H151 WeakPolarHBondContact O-CB 3.38Å; D147-H151 PolarHBondContact O-N 2.72Å; D147-R182 IonicContact OD1-CZ 3.92Å; D147-R182 VanDerWaalsContact OD1-CZ 3.25Å; D147-R182 IonicContact OD1-NH1 3.37Å; D147-R182 PolarHBondContact OD1-NH1 2.79Å; D147-R182 IonicContact OD1-NH2 3.62Å; D147-R182 PolarHBondContact OD1-NH2 3.46Å; D147-R182 IonicContact OD2-CZ 3.4Å; D147-R182 IonicContact OD2-NH1 2.74Å; D147-R182 PolarHBondContact OD2-NH1 2.87Å; D147-R182 IonicContact OD2-NH2 2.83Å
148	A	98.9	Very high	97.6	Very high	9 Å²	9	42.6 Å²	42.6	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-68.6	-38.5	177.1	0	0	0	0	0	111.9	T71 T73 I79 A144 D145 V146 S152	T71-A148 HydrophobicContact CG2-CB 3.97Å; T73-A148 HydrophobicContact CG2-CB 3.97Å; I79-A148 HydrophobicContact CD1-CB 4.13Å; A144-A148 PolarHBondContact O-N 2.92Å; D145-A148 WeakPolarHBondContact O-CB 3.33Å; D145-A148 PolarHBondContact O-N 3.5Å; D145-A148 VanDerWaalsContact O-N 3.17Å; V146-A148 VanDerWaalsContact C-N 3.31Å; V146-A148 PolarHBondContact O-N 3.2Å; A148-S152 WeakPolarHBondContact O-CB 3.35Å; A148-S152 PolarHBondContact O-N 2.95Å; A148-S152 PolarHBondContact O-OG 2.93Å
149	A	98.8	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.1	-50.9	174.7	0	0	0	0	0	111.4	L95 F123 Y125 D145 V146 H151 S152 L153	L95-A149 HydrophobicContact CD1-CB 4.03Å; F123-A149 HydrophobicContact CE1-CB 3.97Å; F123-A149 WeakPolarHBondContact CE1-O 3.47Å; Y125-A149 HydrophobicContact CD1-CB 3.39Å; Y125-A149 HydrophobicContact CD2-CB 4.14Å; Y125-A149 HydrophobicContact CE1-CB 3.85Å; Y125-A149 HydrophobicContact CE2-CB 4.49Å; Y125-A149 HydrophobicContact CG-CB 3.59Å; D145-A149 PolarHBondContact O-N 3.4Å; V146-A149 PolarHBondContact O-N 3.23Å; A149-H151 PolarHBondContact O-N 3.43Å; A149-S152 PolarHBondContact O-N 2.99Å; A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 PolarHBondContact O-N 2.84Å
150	W	98.8	Very high	97.9	Very high	9 Å²	9	46.3 Å²	46.3	3%	0.034	22%	0.221	C	C	.	.	H	α-helix	trans	-57	-46.5	175.4	175.1	-110	0	0	0	112	L95 V146 S152 L153 R154 P161 V164 L179 Y183	L95-W150 HydrophobicContact CD2-CB 4.2Å; L95-W150 HydrophobicContact CD2-CE3 3.8Å; V146-W150 VanDerWaalsContact O-CB 3.32Å; V146-W150 WeakPolarHBondContact O-CB 3.5Å; V146-W150 PolarHBondContact O-N 2.89Å; W150-S152 PolarHBondContact O-N 2.9Å; W150-L153 PolarHBondContact O-N 3.43Å; W150-R154 VanDerWaalsContact CE2-CD 3.48Å; W150-R154 WeakPolarHBondContact O-CG 3.5Å; W150-R154 PolarHBondContact O-N 2.83Å; W150-R154 VanDerWaalsContact O-N 3.13Å; W150-P161 HydrophobicContact CH2-CB 3.81Å; W150-P161 HydrophobicContact CH2-CG 4.28Å; W150-P161 HydrophobicContact CZ2-CB 3.96Å; W150-P161 HydrophobicContact CZ2-CG 4Å; W150-V164 HydrophobicContact CE3-CG1 4.34Å; W150-V164 HydrophobicContact CH2-CB 4.39Å; W150-V164 HydrophobicContact CZ3-CB 3.83Å; W150-V164 HydrophobicContact CZ3-CG1 3.69Å; W150-V164 HydrophobicContact CZ3-CG2 4.06Å; W150-L179 HydrophobicContact CB-CD1 3.91Å; W150-L179 HydrophobicContact CB-CD2 4.11Å; W150-L179 HydrophobicContact CD2-CD1 4.45Å; W150-L179 HydrophobicContact CD2-CD2 4.07Å; W150-L179 HydrophobicContact CE3-CD2 3.83Å; W150-L179 HydrophobicContact CG-CD1 3.96Å; W150-L179 HydrophobicContact CG-CD2 4.21Å; W150-L179 HydrophobicContact CZ3-CD2 4.49Å; W150-Y183 HydrophobicContact CZ2-CG 4.44Å; W150-Y183 AromaticContact NE1-CD2 3.94Å; W150-Y183 AromaticContact NE1-CG 3.92Å
151	H	98.6	Very high	98	Very high	112 Å²	112	40.9 Å²	40.9	52%	0.519	20%	0.201	S	C	.	.	H	α-helix	trans	-62.1	-44.5	177.1	-175.6	78.4	0	0	0	111.8	D147 A149 R154 T155	D147-H151 VanDerWaalsContact O-CB 3.29Å; D147-H151 WeakPolarHBondContact O-CB 3.38Å; D147-H151 PolarHBondContact O-N 2.72Å; A149-H151 PolarHBondContact O-N 3.43Å; H151-R154 PolarHBondContact O-N 2.82Å; H151-T155 VanDerWaalsContact CE1-CG2 3.46Å; H151-T155 WeakPolarHBondContact CE1-CG2 3.43Å; H151-T155 WeakPolarHBondContact O-CB 3.36Å; H151-T155 WeakPolarHBondContact O-CG2 3.48Å; H151-T155 PolarHBondContact O-N 2.95Å; H151-T155 PolarHBondContact O-OG1 2.76Å
152	S	98.3	Very high	98	Very high	6 Å²	6	44.5 Å²	44.5	4%	0.042	22%	0.217	C	C	.	.	H	α-helix	trans	-63.2	-43.3	179	-57.5	0	0	0	0	111.1	T71 A148 A149 W150 R154 T155 R156	T71-S152 PolarHBondContact OG1-OG 2.96Å; A148-S152 WeakPolarHBondContact O-CB 3.35Å; A148-S152 PolarHBondContact O-N 2.95Å; A148-S152 PolarHBondContact O-OG 2.93Å; A149-S152 PolarHBondContact O-N 2.99Å; W150-S152 PolarHBondContact O-N 2.9Å; S152-R154 VanDerWaalsContact C-N 3.31Å; S152-R154 PolarHBondContact O-N 2.9Å; S152-T155 PolarHBondContact O-N 3.27Å; S152-R156 WeakPolarHBondContact O-CA 3.3Å; S152-R156 WeakPolarHBondContact O-CB 3.42Å; S152-R156 PolarHBondContact O-N 2.74Å
153	L	97.4	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.9	-45.4	177	-169.2	61.5	0	0	0	112	T93 L95 F123 A149 W150 Y157 I159 V164	T93-L153 HydrophobicContact CG2-CD1 4.12Å; L95-L153 HydrophobicContact CB-CD2 4.21Å; F123-L153 HydrophobicContact CB-CD1 3.61Å; F123-L153 HydrophobicContact CB-CD2 4.48Å; F123-L153 HydrophobicContact CD1-CB 4.37Å; F123-L153 HydrophobicContact CD1-CD1 4.11Å; F123-L153 HydrophobicContact CD2-CD1 3.73Å; F123-L153 HydrophobicContact CE1-CB 4.44Å; F123-L153 HydrophobicContact CE2-CD1 4.45Å; F123-L153 HydrophobicContact CG-CD1 3.54Å; F123-L153 HydrophobicContact CG-CG 4.47Å; A149-L153 WeakPolarHBondContact O-CB 3.3Å; A149-L153 PolarHBondContact O-N 2.84Å; W150-L153 PolarHBondContact O-N 3.43Å; L153-Y157 HydrophobicContact CD1-CD2 4.32Å; L153-Y157 WeakPolarHBondContact O-CB 3.23Å; L153-Y157 PolarHBondContact O-N 2.85Å; L153-I159 HydrophobicContact CD1-CD1 3.59Å; L153-I159 HydrophobicContact CD1-CG1 4.38Å; L153-I159 HydrophobicContact CG-CB 4.26Å; L153-I159 HydrophobicContact CG-CD1 4.19Å; L153-I159 PolarHBondContact O-N 2.78Å; L153-V164 HydrophobicContact CD2-CB 4.49Å; L153-V164 HydrophobicContact CD2-CG1 3.85Å; L153-V164 HydrophobicContact CD2-CG2 3.74Å
154	R	97.5	Very high	98	Very high	108 Å²	108	43.9 Å²	43.9	41%	0.408	22%	0.216	S	C	.	.	H	α-helix	trans	-74.4	-40.4	-178.3	-69.1	-176.9	60.6	-145	-1.8	113.6	W150 H151 S152 G158 I159	W150-R154 VanDerWaalsContact CE2-CD 3.48Å; W150-R154 WeakPolarHBondContact O-CG 3.5Å; W150-R154 PolarHBondContact O-N 2.83Å; W150-R154 VanDerWaalsContact O-N 3.13Å; H151-R154 PolarHBondContact O-N 2.82Å; S152-R154 VanDerWaalsContact C-N 3.31Å; S152-R154 PolarHBondContact O-N 2.9Å; R154-G158 WeakPolarHBondContact O-CA 3.49Å; R154-G158 PolarHBondContact O-N 2.76Å; R154-G158 VanDerWaalsContact O-N 3.16Å; R154-I159 WeakPolarHBondContact CG-O 3.35Å
155	T	97.3	Very high	98	Very high	89 Å²	89	43.7 Å²	43.7	55%	0.546	21%	0.214	S	C	.	.	H	α-helix	trans	-91.1	-42.4	-172	56.5	0	0	0	0	113.2	H151 S152	H151-T155 VanDerWaalsContact CE1-CG2 3.46Å; H151-T155 WeakPolarHBondContact CE1-CG2 3.43Å; H151-T155 WeakPolarHBondContact O-CB 3.36Å; H151-T155 WeakPolarHBondContact O-CG2 3.48Å; H151-T155 PolarHBondContact O-N 2.95Å; H151-T155 PolarHBondContact O-OG1 2.76Å; S152-T155 PolarHBondContact O-N 3.27Å
156	R	96.6	Very high	98	Very high	126 Å²	126	43.7 Å²	43.7	48%	0.475	21%	0.214	S	C	.	.	H	α-helix	trans	-74.5	-38.4	179.8	-174.2	177.1	173.6	84.2	1.8	111.8	E67 S152	E67-R156 IonicContact OE1-CZ 3.57Å; E67-R156 IonicContact OE1-NE 3.27Å; E67-R156 PolarHBondContact OE1-NE 2.9Å; E67-R156 IonicContact OE1-NH2 3.38Å; E67-R156 PolarHBondContact OE1-NH2 2.83Å; S152-R156 WeakPolarHBondContact O-CA 3.3Å; S152-R156 WeakPolarHBondContact O-CB 3.42Å; S152-R156 PolarHBondContact O-N 2.74Å
157	Y	96.7	Very high	98	Very high	45 Å²	45	43.8 Å²	43.8	18%	0.176	22%	0.215	C	C	.	.	S	Bend	trans	-110.8	-2.7	-174.6	-56.2	-66.5	0	0	0	114	E67 F69 F83 F123 L153 I159	E67-Y157 PolarHBondContact OE1-OH 2.77Å; E67-Y157 WeakPolarHBondContact OE2-CE1 3.46Å; E67-Y157 PolarHBondContact OE2-OH 3.1Å; F69-Y157 AromaticContact CE1-CE2 3.84Å; F69-Y157 HydrophobicContact CE1-CE2 3.84Å; F69-Y157 AromaticContact CE1-CZ 3.94Å; F69-Y157 WeakPolarHBondContact CE1-OH 3.28Å; F69-Y157 HydrophobicContact CZ-CE2 4.15Å; F83-Y157 HydrophobicContact CB-CE2 4.32Å; F83-Y157 AromaticContact CD1-CD1 3.65Å; F83-Y157 HydrophobicContact CD1-CD1 3.65Å; F83-Y157 AromaticContact CD1-CD2 3.79Å; F83-Y157 HydrophobicContact CD1-CD2 3.79Å; F83-Y157 AromaticContact CD1-CE1 3.52Å; F83-Y157 HydrophobicContact CD1-CE1 3.52Å; F83-Y157 AromaticContact CD1-CE2 3.66Å; F83-Y157 HydrophobicContact CD1-CE2 3.66Å; F83-Y157 AromaticContact CD1-CG 3.78Å; F83-Y157 HydrophobicContact CD1-CG 3.78Å; F83-Y157 AromaticContact CD1-CZ 3.51Å; F83-Y157 AromaticContact CE1-CD1 3.7Å; F83-Y157 HydrophobicContact CE1-CD1 3.7Å; F83-Y157 HydrophobicContact CE1-CD2 4.1Å; F83-Y157 HydrophobicContact CE1-CE1 4.06Å; F83-Y157 HydrophobicContact CE1-CE2 4.42Å; F83-Y157 AromaticContact CE1-CG 3.72Å; F83-Y157 HydrophobicContact CE1-CG 3.72Å; F83-Y157 HydrophobicContact CG-CE2 4.35Å; F123-Y157 HydrophobicContact CD2-CD2 4.49Å; F123-Y157 HydrophobicContact CD2-CE2 4.14Å; F123-Y157 HydrophobicContact CE2-CD2 4.33Å; F123-Y157 AromaticContact CE2-CE2 3.74Å; F123-Y157 HydrophobicContact CE2-CE2 3.74Å; L153-Y157 HydrophobicContact CD1-CD2 4.32Å; L153-Y157 WeakPolarHBondContact O-CB 3.23Å; L153-Y157 PolarHBondContact O-N 2.85Å; Y157-I159 PolarHBondContact O-N 3.04Å; Y157-I159 VanDerWaalsContact O-N 3.16Å
158	G	97.4	Very high	98	Very high	53 Å²	53	41.6 Å²	41.6	55%	0.546	20%	0.203	S	C	.	.			trans	65.5	16.3	177.5	0	0	0	0	0	114.1	R154 R160	R154-G158 WeakPolarHBondContact O-CA 3.49Å; R154-G158 PolarHBondContact O-N 2.76Å; R154-G158 VanDerWaalsContact O-N 3.16Å; G158-R160 PolarHBondContact O-N 2.94Å
159	I	97.8	Very high	98	Very high	24 Å²	24	42.3 Å²	42.3	12%	0.123	21%	0.205	C	C	.	.			trans	-75	120.5	-176.3	-53.4	-173.3	0	0	0	108.5	F83 T93 L153 R154 Y157 N163 V164	F83-I159 HydrophobicContact CE1-CD1 4.43Å; F83-I159 HydrophobicContact CZ-CD1 4.16Å; T93-I159 HydrophobicContact CG2-CD1 4.04Å; T93-I159 WeakPolarHBondContact OG1-CD1 3.18Å; L153-I159 HydrophobicContact CD1-CD1 3.59Å; L153-I159 HydrophobicContact CD1-CG1 4.38Å; L153-I159 HydrophobicContact CG-CB 4.26Å; L153-I159 HydrophobicContact CG-CD1 4.19Å; L153-I159 PolarHBondContact O-N 2.78Å; R154-I159 WeakPolarHBondContact CG-O 3.35Å; Y157-I159 PolarHBondContact O-N 3.04Å; Y157-I159 VanDerWaalsContact O-N 3.16Å; I159-N163 HydrophobicContact CG2-CB 4.11Å; I159-V164 HydrophobicContact CG2-CG2 3.7Å
160	R	97.8	Very high	98	Very high	140 Å²	140	43 Å²	43	53%	0.528	21%	0.21	S	C	.	.			trans	-76.7	147.9	-179	-53.2	-171.8	-59.9	-83.3	-2.2	110.9	G158 E162 N163	G158-R160 PolarHBondContact O-N 2.94Å; R160-E162 VanDerWaalsContact CB-CD 3.47Å; R160-E162 HydrophobicContact CB-CG 4.49Å; R160-E162 WeakPolarHBondContact CB-OE1 3.49Å; R160-E162 WeakPolarHBondContact CB-OE2 3.23Å; R160-E162 WeakPolarHBondContact CD-OE1 3.36Å; R160-E162 IonicContact CZ-OE1 2.73Å; R160-E162 IonicContact NE-OE1 3.62Å; R160-E162 PolarHBondContact NE-OE1 2.89Å; R160-E162 IonicContact NH2-OE1 3.46Å; R160-E162 PolarHBondContact O-N 2.86Å; R160-N163 PolarHBondContact NH2-ND2 2.85Å; R160-N163 PolarHBondContact O-N 2.85Å
161	P	97.8	Very high	97.9	Very high	33 Å²	33	43.1 Å²	43.1	21%	0.214	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-51.6	-38.7	-177	-28.8	36.7	0	0	0	114.7	W150 N163 V164 E184 S185 A186	W150-P161 HydrophobicContact CH2-CB 3.81Å; W150-P161 HydrophobicContact CH2-CG 4.28Å; W150-P161 HydrophobicContact CZ2-CB 3.96Å; W150-P161 HydrophobicContact CZ2-CG 4Å; P161-N163 PolarHBondContact O-N 3.02Å; P161-N163 VanDerWaalsContact O-N 3.11Å; P161-V164 PolarHBondContact O-N 3.13Å; P161-E184 WeakPolarHBondContact CB-O 3.38Å; P161-S185 WeakPolarHBondContact O-CA 3.2Å; P161-A186 PolarHBondContact O-N 2.87Å
162	E	97.1	Very high	97.8	Very high	92 Å²	92	37.8 Å²	37.8	43%	0.43	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-68.1	-6.5	178.2	69.7	-88.4	-159.6	0	0	114.4	R160 A186	R160-E162 VanDerWaalsContact CB-CD 3.47Å; R160-E162 HydrophobicContact CB-CG 4.49Å; R160-E162 WeakPolarHBondContact CB-OE1 3.49Å; R160-E162 WeakPolarHBondContact CB-OE2 3.23Å; R160-E162 WeakPolarHBondContact CD-OE1 3.36Å; R160-E162 IonicContact CZ-OE1 2.73Å; R160-E162 IonicContact NE-OE1 3.62Å; R160-E162 PolarHBondContact NE-OE1 2.89Å; R160-E162 IonicContact NH2-OE1 3.46Å; R160-E162 PolarHBondContact O-N 2.86Å; E162-A186 VanDerWaalsContact O-CB 3.24Å; E162-A186 WeakPolarHBondContact O-CB 3.4Å
163	N	97.9	Very high	97.9	Very high	23 Å²	23	37.5 Å²	37.5	12%	0.123	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-109.1	7.4	172.7	-61.4	-45.4	0	0	0	112.4	F92 T93 I159 R160 P161	F92-N163 WeakPolarHBondContact CA-O 3.39Å; T93-N163 PolarHBondContact N-O 3.49Å; I159-N163 HydrophobicContact CG2-CB 4.11Å; R160-N163 PolarHBondContact NH2-ND2 2.85Å; R160-N163 PolarHBondContact O-N 2.85Å; P161-N163 PolarHBondContact O-N 3.02Å; P161-N163 VanDerWaalsContact O-N 3.11Å
164	V	98.8	Very high	97.9	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.8	178.6	-174.6	0	0	0	0	110.4	T93 L95 W150 L153 I159 P161 S185 A186	T93-V164 WeakPolarHBondContact O-CA 3.43Å; L95-V164 HydrophobicContact CB-CG1 3.76Å; W150-V164 HydrophobicContact CE3-CG1 4.34Å; W150-V164 HydrophobicContact CH2-CB 4.39Å; W150-V164 HydrophobicContact CZ3-CB 3.83Å; W150-V164 HydrophobicContact CZ3-CG1 3.69Å; W150-V164 HydrophobicContact CZ3-CG2 4.06Å; L153-V164 HydrophobicContact CD2-CB 4.49Å; L153-V164 HydrophobicContact CD2-CG1 3.85Å; L153-V164 HydrophobicContact CD2-CG2 3.74Å; I159-V164 HydrophobicContact CG2-CG2 3.7Å; P161-V164 PolarHBondContact O-N 3.13Å; V164-S185 WeakPolarHBondContact O-CB 3.28Å; V164-A186 WeakPolarHBondContact O-CB 3.41Å; V164-A186 PolarHBondContact O-N 2.92Å
165	I	98.9	Very high	98	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	115.3	167	-59.3	171.6	0	0	0	106.5	F92 T93 L94 L95 Y167 A186 A187 V189 V281 L285	F92-I165 HydrophobicContact CB-CD1 3.8Å; F92-I165 HydrophobicContact CB-CG1 4.18Å; F92-I165 HydrophobicContact CD1-CD1 4.44Å; F92-I165 HydrophobicContact CD1-CG1 4.35Å; F92-I165 HydrophobicContact CD2-CD1 4.41Å; F92-I165 HydrophobicContact CG-CD1 3.99Å; F92-I165 HydrophobicContact CG-CG1 4.34Å; T93-I165 PolarHBondContact O-N 2.92Å; L94-I165 CarbonylContact C-O 3.17Å; L94-I165 VanDerWaalsContact CA-O 3.3Å; L94-I165 WeakPolarHBondContact CA-O 3.46Å; L94-I165 HydrophobicContact CD2-CB 3.77Å; L94-I165 HydrophobicContact CD2-CD1 4.07Å; L94-I165 HydrophobicContact CD2-CG1 4.46Å; L94-I165 HydrophobicContact CD2-CG2 3.99Å; L95-I165 PolarHBondContact N-O 2.79Å; I165-Y167 PolarHBondContact O-N 2.59Å; I165-A186 HydrophobicContact CG1-CB 4.22Å; I165-A187 HydrophobicContact CG1-CB 4.39Å; I165-A187 HydrophobicContact CG2-CB 4.23Å; I165-V189 HydrophobicContact CG2-CG2 3.85Å; I165-V281 HydrophobicContact CD1-CG2 3.87Å; I165-L285 HydrophobicContact CD1-CD1 3.54Å; I165-L285 HydrophobicContact CG1-CD1 3.92Å
166	V	98.9	Very high	98	Very high	2 Å²	2	28.1 Å²	28.1	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	121.6	174.9	-178.4	0	0	0	0	107.6	L179 A187 V188 V189	V166-L179 HydrophobicContact CG2-CD2 4.14Å; V166-A187 PolarHBondContact N-O 2.82Å; V166-V188 HydrophobicContact CB-CG2 4.39Å; V166-V188 CarbonylContact O-C 3.45Å; V166-V188 VanDerWaalsContact O-CA 3.25Å; V166-V188 WeakPolarHBondContact O-CA 3.29Å; V166-V189 PolarHBondContact O-N 3.18Å
167	Y	98.9	Very high	98.2	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	124	-178.1	-168.9	-65.5	0	0	0	109.1	L94 L95 F96 S97 I165 Q169 V189 H191 Y273 L277	L94-Y167 HydrophobicContact CD1-CD2 4.41Å; L95-Y167 PolarHBondContact O-N 3.27Å; F96-Y167 CarbonylContact C-O 3.54Å; F96-Y167 WeakPolarHBondContact CA-O 3.33Å; F96-Y167 HydrophobicContact CD1-CD1 4.39Å; F96-Y167 AromaticContact CD2-CD1 3.43Å; F96-Y167 HydrophobicContact CD2-CD1 3.43Å; F96-Y167 VanDerWaalsContact CD2-CD1 3.43Å; F96-Y167 HydrophobicContact CD2-CD2 4.33Å; F96-Y167 HydrophobicContact CD2-CE1 4.03Å; F96-Y167 AromaticContact CD2-CG 3.63Å; F96-Y167 HydrophobicContact CD2-CG 3.63Å; F96-Y167 HydrophobicContact CE1-CD1 4.15Å; F96-Y167 HydrophobicContact CE1-CE1 4.31Å; F96-Y167 AromaticContact CE2-CD1 3.12Å; F96-Y167 HydrophobicContact CE2-CD1 3.12Å; F96-Y167 HydrophobicContact CE2-CD2 4.19Å; F96-Y167 AromaticContact CE2-CE1 3.23Å; F96-Y167 HydrophobicContact CE2-CE1 3.23Å; F96-Y167 HydrophobicContact CE2-CE2 4.25Å; F96-Y167 AromaticContact CE2-CG 3.68Å; F96-Y167 HydrophobicContact CE2-CG 3.68Å; F96-Y167 AromaticContact CE2-CZ 3.82Å; F96-Y167 HydrophobicContact CG-CD1 4.07Å; F96-Y167 HydrophobicContact CG-CG 4.42Å; F96-Y167 AromaticContact CZ-CD1 3.53Å; F96-Y167 HydrophobicContact CZ-CD1 3.53Å; F96-Y167 AromaticContact CZ-CE1 3.4Å; F96-Y167 HydrophobicContact CZ-CE1 3.4Å; F96-Y167 HydrophobicContact CZ-CG 4.48Å; S97-Y167 PolarHBondContact N-O 2.88Å; I165-Y167 PolarHBondContact O-N 2.59Å; Y167-Q169 HydrophobicContact CE1-CB 4.32Å; Y167-V189 WeakPolarHBondContact CA-O 3.18Å; Y167-V189 HydrophobicContact CD2-CB 3.53Å; Y167-V189 HydrophobicContact CD2-CG1 3.67Å; Y167-V189 HydrophobicContact CD2-CG2 4.05Å; Y167-V189 HydrophobicContact CE2-CB 3.86Å; Y167-V189 HydrophobicContact CE2-CG1 3.41Å; Y167-V189 VanDerWaalsContact CE2-CG1 3.41Å; Y167-V189 HydrophobicContact CE2-CG2 4.44Å; Y167-V189 HydrophobicContact CG-CB 4.11Å; Y167-V189 HydrophobicContact CG-CG1 4.44Å; Y167-H191 HydrophobicContact CE1-CB 3.87Å; Y167-H191 WeakPolarHBondContact OH-CB 3.35Å; Y167-H191 PolarHBondContact OH-ND1 2.81Å; Y167-Y273 WeakPolarHBondContact OH-CE2 3.34Å; Y167-Y273 PolarHBondContact OH-OH 2.79Å; Y167-L277 HydrophobicContact CE2-CD2 4.32Å
168	G	98.8	Very high	98.3	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.7	173.4	0	0	0	0	0	111.4	G172 T173 S176 V189 H191	G168-G172 VanDerWaalsContact CA-O 3.29Å; G168-G172 WeakPolarHBondContact CA-O 3.31Å; G168-T173 WeakPolarHBondContact O-CG2 3.39Å; G168-S176 WeakPolarHBondContact CA-OG 3.49Å; G168-V189 PolarHBondContact N-O 2.84Å; G168-H191 WeakPolarHBondContact O-CB 3.44Å; G168-H191 PolarHBondContact O-N 2.79Å
169	Q	98.6	Very high	98.3	Very high	24 Å²	24	18.6 Å²	18.6	11%	0.112	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.4	172.1	-177.9	177.6	15.3	0	0	110.8	F96 S97 G99 Y167 I171 G172 H191 E268	F96-Q169 HydrophobicContact CE1-CB 4.32Å; F96-Q169 HydrophobicContact CZ-CB 4.37Å; S97-Q169 PolarHBondContact O-N 3.06Å; S97-Q169 VanDerWaalsContact O-N 3.1Å; G99-Q169 WeakPolarHBondContact CA-O 3.45Å; Y167-Q169 HydrophobicContact CE1-CB 4.32Å; Q169-I171 PolarHBondContact O-N 3.27Å; Q169-G172 WeakPolarHBondContact O-CA 3.42Å; Q169-G172 PolarHBondContact O-N 2.64Å; Q169-H191 CarbonylContact C-O 3.47Å; Q169-H191 WeakPolarHBondContact CA-O 3.41Å; Q169-H191 HydrophobicContact CB-CB 4.43Å; Q169-E268 PolarHBondContact NE2-OE1 2.94Å
170	S	97.2	Very high	98.4	Very high	15 Å²	15	17.5 Å²	17.5	11%	0.105	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	51.9	-121	178.1	-175.2	0	0	0	0	110.8	G172 T173 H191 S192 L194 H264	S170-G172 PolarHBondContact O-N 2.96Å; S170-G172 VanDerWaalsContact O-N 3.14Å; S170-T173 WeakPolarHBondContact O-CB 3.3Å; S170-T173 VanDerWaalsContact O-CG2 3.32Å; S170-T173 WeakPolarHBondContact O-CG2 3.18Å; S170-T173 PolarHBondContact O-N 3.11Å; S170-T173 PolarHBondContact O-OG1 2.88Å; S170-H191 PolarHBondContact N-O 2.76Å; S170-S192 WeakPolarHBondContact CA-O 3.44Å; S170-L194 WeakPolarHBondContact O-CD2 3.31Å; S170-H264 VanDerWaalsContact CB-NE2 3.3Å; S170-H264 WeakPolarHBondContact CB-NE2 3.14Å; S170-H264 PolarHBondContact OG-CE1 2.83Å; S170-H264 PolarHBondContact OG-NE2 2.98Å
171	I	96.6	Very high	98.4	Very high	11 Å²	11	12 Å²	12	6%	0.056	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	-56.8	-27.3	174.4	-161.7	164.9	0	0	0	113.7	A27 F28 N100 Y127 Q169 T173 V174 P175 F214	A27-I171 HydrophobicContact CB-CD1 4.46Å; A27-I171 WeakPolarHBondContact O-CD1 3.22Å; F28-I171 HydrophobicContact CD1-CD1 3.68Å; F28-I171 HydrophobicContact CE1-CD1 3.4Å; F28-I171 HydrophobicContact CE1-CG1 4.27Å; F28-I171 HydrophobicContact CZ-CD1 4.03Å; N100-I171 HydrophobicContact CB-CG2 3.97Å; Y127-I171 HydrophobicContact CE2-CG2 4.47Å; Q169-I171 PolarHBondContact O-N 3.27Å; I171-T173 PolarHBondContact O-N 3.45Å; I171-T173 VanDerWaalsContact O-N 3.16Å; I171-V174 HydrophobicContact CG1-CG2 4.43Å; I171-V174 VanDerWaalsContact O-CB 3.27Å; I171-V174 WeakPolarHBondContact O-CB 3.21Å; I171-V174 VanDerWaalsContact O-CG2 3.26Å; I171-V174 WeakPolarHBondContact O-CG2 3.46Å; I171-V174 PolarHBondContact O-N 2.85Å; I171-P175 WeakPolarHBondContact O-CD 3.16Å; I171-F214 HydrophobicContact CD1-CE2 4.42Å; I171-F214 HydrophobicContact CD1-CZ 4.38Å
172	G	98.5	Very high	98.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-66.2	-9.4	174.1	0	0	0	0	0	114.5	S97 Y127 G168 Q169 S170 V174 P175 S176	S97-G172 WeakPolarHBondContact CB-O 3.36Å; S97-G172 WeakPolarHBondContact O-CA 3.21Å; Y127-G172 WeakPolarHBondContact OH-CA 3.38Å; G168-G172 VanDerWaalsContact CA-O 3.29Å; G168-G172 WeakPolarHBondContact CA-O 3.31Å; Q169-G172 WeakPolarHBondContact O-CA 3.42Å; Q169-G172 PolarHBondContact O-N 2.64Å; S170-G172 PolarHBondContact O-N 2.96Å; S170-G172 VanDerWaalsContact O-N 3.14Å; G172-V174 VanDerWaalsContact C-N 3.3Å; G172-P175 VanDerWaalsContact O-CD 3.25Å; G172-P175 WeakPolarHBondContact O-CD 3.13Å; G172-P175 WeakPolarHBondContact O-CG 3.5Å; G172-S176 WeakPolarHBondContact O-CB 3.4Å; G172-S176 PolarHBondContact O-OG 3.32Å
173	T	98.8	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-72.9	-25.2	169.7	63.7	0	0	0	0	112.2	G168 S170 I171 S176 V177 L190 P193 L194	G168-T173 WeakPolarHBondContact O-CG2 3.39Å; S170-T173 WeakPolarHBondContact O-CB 3.3Å; S170-T173 VanDerWaalsContact O-CG2 3.32Å; S170-T173 WeakPolarHBondContact O-CG2 3.18Å; S170-T173 PolarHBondContact O-N 3.11Å; S170-T173 PolarHBondContact O-OG1 2.88Å; I171-T173 PolarHBondContact O-N 3.45Å; I171-T173 VanDerWaalsContact O-N 3.16Å; T173-S176 PolarHBondContact O-N 3.1Å; T173-V177 WeakPolarHBondContact O-CB 3.46Å; T173-V177 VanDerWaalsContact O-CG2 3.3Å; T173-V177 WeakPolarHBondContact O-CG2 3.42Å; T173-V177 PolarHBondContact O-N 3Å; T173-L190 HydrophobicContact CG2-CB 4.41Å; T173-L190 HydrophobicContact CG2-CD2 4.21Å; T173-P193 HydrophobicContact CG2-CB 3.7Å; T173-L194 WeakPolarHBondContact OG1-CD2 3.45Å
174	V	98.4	Very high	98.4	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.3	-55.2	178.3	-178	0	0	0	0	113.5	L142 Y143 I171 G172 S176 D178 L194 F214 N216	L142-V174 HydrophobicContact CD2-CB 4.17Å; L142-V174 HydrophobicContact CD2-CG1 3.83Å; Y143-V174 HydrophobicContact CE1-CG1 3.84Å; I171-V174 HydrophobicContact CG1-CG2 4.43Å; I171-V174 VanDerWaalsContact O-CB 3.27Å; I171-V174 WeakPolarHBondContact O-CB 3.21Å; I171-V174 VanDerWaalsContact O-CG2 3.26Å; I171-V174 WeakPolarHBondContact O-CG2 3.46Å; I171-V174 PolarHBondContact O-N 2.85Å; G172-V174 VanDerWaalsContact C-N 3.3Å; V174-S176 VanDerWaalsContact C-N 3.27Å; V174-S176 PolarHBondContact O-N 3.36Å; V174-D178 WeakPolarHBondContact O-CB 3.35Å; V174-D178 PolarHBondContact O-N 2.86Å; V174-L194 HydrophobicContact CG2-CD1 4.34Å; V174-L194 HydrophobicContact CG2-CD2 3.76Å; V174-L194 HydrophobicContact CG2-CG 4.22Å; V174-F214 HydrophobicContact CB-CB 4.32Å; V174-F214 HydrophobicContact CB-CD1 4.45Å; V174-F214 HydrophobicContact CG1-CB 3.7Å; V174-F214 HydrophobicContact CG1-CD1 3.57Å; V174-F214 HydrophobicContact CG1-CE1 4.47Å; V174-F214 HydrophobicContact CG1-CG 3.93Å; V174-F214 HydrophobicContact CG2-CB 3.62Å; V174-F214 HydrophobicContact CG2-CD1 4.3Å; V174-F214 HydrophobicContact CG2-CG 3.94Å; V174-N216 WeakPolarHBondContact CA-OD1 3.43Å
175	P	98.7	Very high	98.3	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-67.8	-32.1	175.5	24.9	-26.1	0	0	0	111.6	Y127 L142 V146 I171 G172 D178 L179	Y127-P175 HydrophobicContact CE1-CG 4.2Å; L142-P175 HydrophobicContact CD1-CG 4.25Å; L142-P175 HydrophobicContact CD2-CB 3.57Å; L142-P175 HydrophobicContact CD2-CG 3.77Å; L142-P175 HydrophobicContact CG-CB 3.93Å; L142-P175 HydrophobicContact CG-CG 3.84Å; V146-P175 HydrophobicContact CB-CB 3.7Å; V146-P175 HydrophobicContact CG1-CB 3.68Å; V146-P175 HydrophobicContact CG2-CB 4.13Å; I171-P175 WeakPolarHBondContact O-CD 3.16Å; G172-P175 VanDerWaalsContact O-CD 3.25Å; G172-P175 WeakPolarHBondContact O-CD 3.13Å; G172-P175 WeakPolarHBondContact O-CG 3.5Å; P175-D178 PolarHBondContact O-N 2.93Å; P175-L179 VanDerWaalsContact O-CB 3.32Å; P175-L179 WeakPolarHBondContact O-CB 3.42Å; P175-L179 PolarHBondContact O-N 3.44Å
176	S	98.9	Very high	98.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65	-47.8	-178.3	-64.4	0	0	0	0	112.5	S97 G168 G172 T173 V174 L179 A180	S97-S176 PolarHBondContact OG-OG 2.73Å; G168-S176 WeakPolarHBondContact CA-OG 3.49Å; G172-S176 WeakPolarHBondContact O-CB 3.4Å; G172-S176 PolarHBondContact O-OG 3.32Å; T173-S176 PolarHBondContact O-N 3.1Å; V174-S176 VanDerWaalsContact C-N 3.27Å; V174-S176 PolarHBondContact O-N 3.36Å; S176-L179 PolarHBondContact O-N 3.05Å; S176-A180 VanDerWaalsContact O-CB 3.28Å; S176-A180 WeakPolarHBondContact O-CB 3.16Å; S176-A180 PolarHBondContact O-N 2.96Å
177	V	98.9	Very high	98.3	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.3	-41.1	175.9	173.1	0	0	0	0	110.8	T173 L179 A180 A181 L190 N216 K219 I220 V223	T173-V177 WeakPolarHBondContact O-CB 3.46Å; T173-V177 VanDerWaalsContact O-CG2 3.3Å; T173-V177 WeakPolarHBondContact O-CG2 3.42Å; T173-V177 PolarHBondContact O-N 3Å; V177-L179 PolarHBondContact O-N 2.98Å; V177-A180 PolarHBondContact O-N 3.16Å; V177-A181 VanDerWaalsContact O-CB 3.22Å; V177-A181 WeakPolarHBondContact O-CB 3.36Å; V177-A181 PolarHBondContact O-N 3.16Å; V177-L190 HydrophobicContact CG2-CD1 3.91Å; V177-L190 HydrophobicContact CG2-CD2 3.66Å; V177-L190 HydrophobicContact CG2-CG 4.47Å; V177-N216 HydrophobicContact CG1-CB 4.39Å; V177-K219 HydrophobicContact CG1-CB 3.74Å; V177-I220 HydrophobicContact CG1-CB 4.4Å; V177-I220 HydrophobicContact CG1-CD1 4.3Å; V177-I220 HydrophobicContact CG2-CD1 4.19Å; V177-V223 HydrophobicContact CG1-CG2 4.44Å
178	D	98.8	Very high	98.3	Very high	23 Å²	23	21.3 Å²	21.3	12%	0.123	10%	0.102	C	C	.	.	H	α-helix	trans	-61	-43.7	177	-177	87.6	0	0	0	112.8	Y143 V174 P175 R182 K219	Y143-D178 HydrophobicContact CD1-CB 3.63Å; Y143-D178 HydrophobicContact CE1-CB 3.48Å; Y143-D178 VanDerWaalsContact CE1-CB 3.48Å; V174-D178 WeakPolarHBondContact O-CB 3.35Å; V174-D178 PolarHBondContact O-N 2.86Å; P175-D178 PolarHBondContact O-N 2.93Å; D178-R182 PolarHBondContact O-NE 3.49Å; D178-R182 IonicContact OD2-CZ 3.32Å; D178-R182 IonicContact OD2-NE 2.84Å; D178-R182 PolarHBondContact OD2-NE 2.91Å; D178-R182 IonicContact OD2-NH2 3.25Å; D178-R182 PolarHBondContact OD2-NH2 2.95Å; D178-K219 HydrophobicContact CB-CD 4.32Å; D178-K219 IonicContact OD1-NZ 2.71Å; D178-K219 PolarHBondContact OD1-NZ 3.3Å
179	L	98.8	Very high	98.3	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-65.1	-50.1	176.8	-174.1	79	0	0	0	110.8	L95 V146 W150 V166 P175 S176 V177 A181 R182 Y183	L95-L179 HydrophobicContact CD2-CD2 3.62Å; V146-L179 HydrophobicContact CG1-CB 4.34Å; V146-L179 HydrophobicContact CG1-CD1 4.48Å; V146-L179 HydrophobicContact CG2-CB 4.27Å; V146-L179 HydrophobicContact CG2-CD2 3.97Å; V146-L179 HydrophobicContact CG2-CG 4.47Å; W150-L179 HydrophobicContact CB-CD1 3.91Å; W150-L179 HydrophobicContact CB-CD2 4.11Å; W150-L179 HydrophobicContact CD2-CD1 4.45Å; W150-L179 HydrophobicContact CD2-CD2 4.07Å; W150-L179 HydrophobicContact CE3-CD2 3.83Å; W150-L179 HydrophobicContact CG-CD1 3.96Å; W150-L179 HydrophobicContact CG-CD2 4.21Å; W150-L179 HydrophobicContact CZ3-CD2 4.49Å; V166-L179 HydrophobicContact CG2-CD2 4.14Å; P175-L179 VanDerWaalsContact O-CB 3.32Å; P175-L179 WeakPolarHBondContact O-CB 3.42Å; P175-L179 PolarHBondContact O-N 3.44Å; S176-L179 PolarHBondContact O-N 3.05Å; V177-L179 PolarHBondContact O-N 2.98Å; L179-A181 PolarHBondContact O-N 2.88Å; L179-R182 PolarHBondContact O-N 2.87Å; L179-Y183 HydrophobicContact CD1-CD2 3.67Å; L179-Y183 HydrophobicContact CD1-CE2 3.94Å; L179-Y183 HydrophobicContact CG-CD2 4.16Å; L179-Y183 PolarHBondContact O-N 3.3Å
180	A	98.8	Very high	98.3	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.017	10%	0.098	C	C	.	.	H	α-helix	trans	-69.8	-20.6	-176.3	0	0	0	0	0	113.6	S176 V177 R182 Y183 V188 V223	S176-A180 VanDerWaalsContact O-CB 3.28Å; S176-A180 WeakPolarHBondContact O-CB 3.16Å; S176-A180 PolarHBondContact O-N 2.96Å; V177-A180 PolarHBondContact O-N 3.16Å; A180-R182 PolarHBondContact O-N 3.47Å; A180-Y183 WeakPolarHBondContact CA-O 3.32Å; A180-V188 HydrophobicContact CB-CG2 3.44Å; A180-V188 VanDerWaalsContact CB-CG2 3.44Å; A180-V223 HydrophobicContact CB-CG1 3.97Å; A180-V223 HydrophobicContact CB-CG2 4.03Å
181	A	98.6	Very high	98.4	Very high	24 Å²	24	19.5 Å²	19.5	20%	0.198	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-14.4	170.7	0	0	0	0	0	113	V177 L179 K219 K222 V223	V177-A181 VanDerWaalsContact O-CB 3.22Å; V177-A181 WeakPolarHBondContact O-CB 3.36Å; V177-A181 PolarHBondContact O-N 3.16Å; L179-A181 PolarHBondContact O-N 2.88Å; A181-K219 HydrophobicContact CB-CB 4.45Å; A181-K222 HydrophobicContact CB-CB 3.91Å; A181-V223 HydrophobicContact CB-CG2 4.34Å
182	R	98.1	Very high	98.5	Very high	104 Å²	104	19 Å²	19	39%	0.392	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-28.6	-178.8	-66.5	-177.5	-71.9	126.9	-2.9	113.1	D147 D178 L179 A180	D147-R182 IonicContact OD1-CZ 3.92Å; D147-R182 VanDerWaalsContact OD1-CZ 3.25Å; D147-R182 IonicContact OD1-NH1 3.37Å; D147-R182 PolarHBondContact OD1-NH1 2.79Å; D147-R182 IonicContact OD1-NH2 3.62Å; D147-R182 PolarHBondContact OD1-NH2 3.46Å; D147-R182 IonicContact OD2-CZ 3.4Å; D147-R182 IonicContact OD2-NH1 2.74Å; D147-R182 PolarHBondContact OD2-NH1 2.87Å; D147-R182 IonicContact OD2-NH2 2.83Å; D178-R182 PolarHBondContact O-NE 3.49Å; D178-R182 IonicContact OD2-CZ 3.32Å; D178-R182 IonicContact OD2-NE 2.84Å; D178-R182 PolarHBondContact OD2-NE 2.91Å; D178-R182 IonicContact OD2-NH2 3.25Å; D178-R182 PolarHBondContact OD2-NH2 2.95Å; L179-R182 PolarHBondContact O-N 2.87Å; A180-R182 PolarHBondContact O-N 3.47Å
183	Y	97.4	Very high	98.5	Very high	99 Å²	99	19 Å²	19	39%	0.388	9%	0.09	S	C	.	.	S	Bend	trans	-131.3	135	-177.5	-56.6	-72.5	0	0	0	110.7	W150 L179 A180	W150-Y183 HydrophobicContact CZ2-CG 4.44Å; W150-Y183 AromaticContact NE1-CD2 3.94Å; W150-Y183 AromaticContact NE1-CG 3.92Å; L179-Y183 HydrophobicContact CD1-CD2 3.67Å; L179-Y183 HydrophobicContact CD1-CE2 3.94Å; L179-Y183 HydrophobicContact CG-CD2 4.16Å; L179-Y183 PolarHBondContact O-N 3.3Å; A180-Y183 WeakPolarHBondContact CA-O 3.32Å
184	E	96.5	Very high	98.4	Very high	119 Å²	119	19.5 Å²	19.5	56%	0.556	9%	0.093	S	C	*	.			trans	-72.7	146.3	169.9	-157.3	170.7	-148.9	0	0	110.3	P161	P161-E184 WeakPolarHBondContact CB-O 3.38Å
185	S	98.1	Very high	98.3	Very high	8 Å²	8	19.7 Å²	19.7	6%	0.056	9%	0.094	C	C	.	.			trans	-140.6	171.4	-178.1	63.8	0	0	0	0	109	P161 V164 A187 S225	P161-S185 WeakPolarHBondContact O-CA 3.2Å; V164-S185 WeakPolarHBondContact O-CB 3.28Å; S185-A187 PolarHBondContact O-N 3.25Å; S185-A187 PolarHBondContact OG-O 3.1Å; S185-S225 PolarHBondContact N-OG 2.78Å; S185-S225 PolarHBondContact O-OG 3.15Å; S185-S225 PolarHBondContact OG-OG 2.87Å
186	A	98.2	Very high	98.2	Very high	17 Å²	17	19.7 Å²	19.7	14%	0.14	9%	0.094	C	C	.	.	S	Bend	trans	-56.4	-42.1	173.3	0	0	0	0	0	111.4	F92 P161 E162 V164 I165 P226	F92-A186 HydrophobicContact CD1-CB 3.94Å; F92-A186 HydrophobicContact CE1-CB 3.79Å; P161-A186 PolarHBondContact O-N 2.87Å; E162-A186 VanDerWaalsContact O-CB 3.24Å; E162-A186 WeakPolarHBondContact O-CB 3.4Å; V164-A186 WeakPolarHBondContact O-CB 3.41Å; V164-A186 PolarHBondContact O-N 2.92Å; I165-A186 HydrophobicContact CG1-CB 4.22Å; A186-P226 WeakPolarHBondContact O-CD 3.36Å
187	A	98.7	Very high	97.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	173.5	179.1	0	0	0	0	0	111.9	I165 V166 S185 P226 F280 L285	I165-A187 HydrophobicContact CG1-CB 4.39Å; I165-A187 HydrophobicContact CG2-CB 4.23Å; V166-A187 PolarHBondContact N-O 2.82Å; S185-A187 PolarHBondContact O-N 3.25Å; S185-A187 PolarHBondContact OG-O 3.1Å; A187-P226 CarbonylContact C-O 3.27Å; A187-P226 WeakPolarHBondContact CA-O 3.4Å; A187-F280 HydrophobicContact CB-CE1 3.74Å; A187-F280 HydrophobicContact CB-CZ 3.54Å; A187-L285 HydrophobicContact CB-CD1 3.89Å; A187-L285 HydrophobicContact CB-CD2 3.7Å; A187-L285 HydrophobicContact CB-CG 4.44Å
188	V	98.9	Very high	97.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.8	167	-174.2	0	0	0	0	109.4	V166 A180 L190 V223 P226 V227 L228	V166-V188 HydrophobicContact CB-CG2 4.39Å; V166-V188 CarbonylContact O-C 3.45Å; V166-V188 VanDerWaalsContact O-CA 3.25Å; V166-V188 WeakPolarHBondContact O-CA 3.29Å; A180-V188 HydrophobicContact CB-CG2 3.44Å; A180-V188 VanDerWaalsContact CB-CG2 3.44Å; V188-L190 HydrophobicContact CG1-CD2 3.6Å; V188-L190 HydrophobicContact CG1-CG 3.98Å; V188-V223 HydrophobicContact CG2-CG1 3.85Å; V188-P226 PolarHBondContact N-O 2.98Å; V188-V227 HydrophobicContact CB-CG1 4.41Å; V188-V227 HydrophobicContact CB-CG2 4.29Å; V188-V227 WeakPolarHBondContact O-CA 3.48Å; V188-L228 PolarHBondContact O-N 2.81Å
189	V	98.9	Very high	97.2	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.012	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.8	167.6	-177	0	0	0	0	108.5	I165 V166 Y167 G168 L228 I230 L277 F280	I165-V189 HydrophobicContact CG2-CG2 3.85Å; V166-V189 PolarHBondContact O-N 3.18Å; Y167-V189 WeakPolarHBondContact CA-O 3.18Å; Y167-V189 HydrophobicContact CD2-CB 3.53Å; Y167-V189 HydrophobicContact CD2-CG1 3.67Å; Y167-V189 HydrophobicContact CD2-CG2 4.05Å; Y167-V189 HydrophobicContact CE2-CB 3.86Å; Y167-V189 HydrophobicContact CE2-CG1 3.41Å; Y167-V189 VanDerWaalsContact CE2-CG1 3.41Å; Y167-V189 HydrophobicContact CE2-CG2 4.44Å; Y167-V189 HydrophobicContact CG-CB 4.11Å; Y167-V189 HydrophobicContact CG-CG1 4.44Å; G168-V189 PolarHBondContact N-O 2.84Å; V189-L228 CarbonylContact C-O 3.57Å; V189-L228 WeakPolarHBondContact CA-O 3.46Å; V189-L228 HydrophobicContact CG1-CD2 4.42Å; V189-L228 HydrophobicContact CG1-CG 4.48Å; V189-L228 HydrophobicContact CG2-CB 4.34Å; V189-L228 HydrophobicContact CG2-CD2 4.38Å; V189-I230 HydrophobicContact CG1-CD1 3.99Å; V189-I230 HydrophobicContact CG1-CG1 4.41Å; V189-L277 HydrophobicContact CG1-CD2 4.27Å; V189-L277 HydrophobicContact CG2-CD2 4.4Å; V189-F280 HydrophobicContact CG2-CD1 4.19Å; V189-F280 HydrophobicContact CG2-CE1 3.83Å
190	L	98.9	Very high	96.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	107.8	176.5	-59.7	-174.8	0	0	0	108.7	T173 V177 V188 P193 I220 V227 L228 V229 I230 L246	T173-L190 HydrophobicContact CG2-CB 4.41Å; T173-L190 HydrophobicContact CG2-CD2 4.21Å; V177-L190 HydrophobicContact CG2-CD1 3.91Å; V177-L190 HydrophobicContact CG2-CD2 3.66Å; V177-L190 HydrophobicContact CG2-CG 4.47Å; V188-L190 HydrophobicContact CG1-CD2 3.6Å; V188-L190 HydrophobicContact CG1-CG 3.98Å; L190-P193 HydrophobicContact CB-CB 4.05Å; L190-P193 HydrophobicContact CB-CG 4.06Å; L190-I220 HydrophobicContact CD1-CD1 3.83Å; L190-V227 HydrophobicContact CD1-CG1 4Å; L190-V227 HydrophobicContact CG-CG1 4.11Å; L190-L228 PolarHBondContact N-O 3.18Å; L190-V229 HydrophobicContact CB-CG2 4.46Å; L190-V229 WeakPolarHBondContact O-CA 3.38Å; L190-I230 PolarHBondContact O-N 2.79Å; L190-L246 HydrophobicContact CD1-CD1 4.5Å
191	H	98.8	Very high	96.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	118	-178.9	-179	-173.2	0	0	0	110.2	Y167 G168 Q169 S170 I230 V267 E268 Y273	Y167-H191 HydrophobicContact CE1-CB 3.87Å; Y167-H191 WeakPolarHBondContact OH-CB 3.35Å; Y167-H191 PolarHBondContact OH-ND1 2.81Å; G168-H191 WeakPolarHBondContact O-CB 3.44Å; G168-H191 PolarHBondContact O-N 2.79Å; Q169-H191 CarbonylContact C-O 3.47Å; Q169-H191 WeakPolarHBondContact CA-O 3.41Å; Q169-H191 HydrophobicContact CB-CB 4.43Å; S170-H191 PolarHBondContact N-O 2.76Å; H191-I230 CarbonylContact C-O 3.52Å; H191-I230 WeakPolarHBondContact CA-O 3.42Å; H191-V267 VanDerWaalsContact NE2-CB 3.34Å; H191-V267 WeakPolarHBondContact NE2-CB 3.43Å; H191-V267 VanDerWaalsContact NE2-CG1 3.27Å; H191-V267 WeakPolarHBondContact NE2-CG1 3.47Å; H191-E268 VanDerWaalsContact CE1-CD 3.41Å; H191-E268 IonicContact CE1-OE1 2.8Å; H191-E268 PolarHBondContact CE1-OE1 2.67Å; H191-E268 IonicContact CE1-OE2 2.9Å; H191-E268 IonicContact ND1-OE1 3.15Å; H191-Y273 AromaticContact CE1-CE2 3.87Å; H191-Y273 AromaticContact ND1-CE2 3.98Å
192	S	98.4	Very high	95.9	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	16%	0.163	C	C	.	.	S	Bend	trans	47.1	52.9	-174.6	-53.1	0	0	0	0	112.2	S170 I230	S170-S192 WeakPolarHBondContact CA-O 3.44Å; S192-I230 PolarHBondContact N-O 3.04Å
193	P	98.5	Very high	95.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.			trans	-73.6	154.8	-171.1	33.6	-39.3	0	0	0	112.8	T173 L190 V229 H231 I238 H242 L246	T173-P193 HydrophobicContact CG2-CB 3.7Å; L190-P193 HydrophobicContact CB-CB 4.05Å; L190-P193 HydrophobicContact CB-CG 4.06Å; P193-V229 HydrophobicContact CG-CG1 3.99Å; P193-H231 WeakPolarHBondContact CD-ND1 3.49Å; P193-I238 VanDerWaalsContact O-CG2 3.27Å; P193-I238 WeakPolarHBondContact O-CG2 3.43Å; P193-H242 WeakPolarHBondContact O-CB 3.46Å; P193-L246 HydrophobicContact CB-CD1 3.56Å; P193-L246 HydrophobicContact CG-CD1 3.8Å
194	L	97.1	Very high	95	Very high	10 Å²	10	34 Å²	34	5%	0.052	19%	0.194	C	C	.	.			trans	-101.4	142.7	168.3	64.4	162.3	0	0	0	112	S170 T173 V174 V200 F214 N216 I238 H242	S170-L194 WeakPolarHBondContact O-CD2 3.31Å; T173-L194 WeakPolarHBondContact OG1-CD2 3.45Å; V174-L194 HydrophobicContact CG2-CD1 4.34Å; V174-L194 HydrophobicContact CG2-CD2 3.76Å; V174-L194 HydrophobicContact CG2-CG 4.22Å; L194-V200 HydrophobicContact CB-CG2 3.76Å; L194-V200 HydrophobicContact CD1-CG2 4.1Å; L194-F214 HydrophobicContact CD1-CB 4.34Å; L194-F214 HydrophobicContact CD1-CD2 4.28Å; L194-N216 WeakPolarHBondContact O-CB 3.33Å; L194-N216 PolarHBondContact O-ND2 3.33Å; L194-I238 HydrophobicContact CB-CD1 4.29Å; L194-I238 HydrophobicContact CB-CG2 4.05Å; L194-H242 WeakPolarHBondContact CA-ND1 3.49Å
195	T	97.3	Very high	94.7	Very high	4 Å²	4	29.2 Å²	29.2	3%	0.025	17%	0.173	C	C	.	.	S	Bend	trans	-74.2	-40.2	172.3	53.8	0	0	0	0	112.3	R199 P215 N216 I217 H242 A245 L246	T195-R199 WeakPolarHBondContact OG1-CB 3.36Å; T195-R199 VanDerWaalsContact OG1-CD 3.25Å; T195-R199 WeakPolarHBondContact OG1-CD 3.29Å; T195-P215 CarbonylContact O-C 3.59Å; T195-N216 PolarHBondContact O-N 2.98Å; T195-I217 HydrophobicContact CG2-CD1 4Å; T195-I217 PolarHBondContact O-N 3.33Å; T195-H242 HydrophobicContact CG2-CB 4Å; T195-H242 PolarHBondContact N-ND1 3.37Å; T195-H242 VanDerWaalsContact N-ND1 3.13Å; T195-H242 PolarHBondContact OG1-CE1 2.78Å; T195-H242 VanDerWaalsContact OG1-CE1 3.25Å; T195-H242 PolarHBondContact OG1-ND1 3.2Å; T195-A245 HydrophobicContact CG2-CB 3.91Å; T195-L246 HydrophobicContact CG2-CD2 4.25Å; T195-L246 HydrophobicContact CG2-CG 3.98Å
196	S	96.4	Very high	94.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.			trans	-171.4	159.2	176.5	58.6	0	0	0	0	110.6	R199 V200 D212 F214	S196-R199 PolarHBondContact O-N 2.87Å; S196-R199 VanDerWaalsContact OG-CB 3.28Å; S196-R199 WeakPolarHBondContact OG-CB 3.42Å; S196-R199 VanDerWaalsContact OG-CD 3.3Å; S196-R199 WeakPolarHBondContact OG-CD 3.14Å; S196-R199 WeakPolarHBondContact OG-CG 3.42Å; S196-R199 PolarHBondContact OG-N 3.21Å; S196-R199 PolarHBondContact OG-NH1 3.13Å; S196-V200 WeakPolarHBondContact O-CG2 3.38Å; S196-V200 PolarHBondContact O-N 3.44Å; S196-V200 VanDerWaalsContact O-N 3.16Å; S196-D212 WeakPolarHBondContact CB-OD1 3.38Å; S196-D212 WeakPolarHBondContact CB-OD2 3.42Å; S196-D212 PolarHBondContact OG-OD2 3.31Å; S196-F214 WeakPolarHBondContact CA-O 3.2Å
197	G	91.1	Very high	94	Very high	20 Å²	20	44.1 Å²	44.1	21%	0.206	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-39.9	177	0	0	0	0	0	113.1	R199 V200 A201 A213	G197-R199 PolarHBondContact O-N 2.97Å; G197-V200 PolarHBondContact O-N 3.45Å; G197-A201 PolarHBondContact O-N 3.5Å; G197-A201 VanDerWaalsContact O-N 3.1Å; G197-A213 PolarHBondContact N-O 3.14Å
198	M	90.7	Very high	93.6	Very high	36 Å²	36	46.2 Å²	46.2	18%	0.177	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-38.2	176.1	-75.6	-70	-62.6	0	0	112.3	V200 A201 F202 T205 F211 D212	M198-V200 VanDerWaalsContact C-N 3.31Å; M198-V200 PolarHBondContact O-N 3.25Å; M198-A201 PolarHBondContact O-N 2.95Å; M198-F202 HydrophobicContact CE-CD2 3.59Å; M198-F202 HydrophobicContact CE-CE2 3.98Å; M198-F202 CarbonylContact O-C 3.57Å; M198-F202 WeakPolarHBondContact O-CA 3.17Å; M198-F202 WeakPolarHBondContact O-CB 3.42Å; M198-F202 PolarHBondContact O-N 2.94Å; M198-F202 HydrophobicContact SD-CD2 4.02Å; M198-F202 HydrophobicContact SD-CE2 4.12Å; M198-T205 HydrophobicContact CB-CG2 4.17Å; M198-F211 HydrophobicContact CE-CE2 3.99Å; M198-F211 HydrophobicContact SD-CD2 4.31Å; M198-F211 HydrophobicContact SD-CE2 3.97Å; M198-D212 HydrophobicContact CB-CB 4.42Å; M198-D212 WeakPolarHBondContact CB-OD1 3.33Å; M198-D212 HydrophobicContact CG-CB 3.89Å; M198-D212 WeakPolarHBondContact CG-OD1 3.47Å; M198-D212 PolarHBondContact N-OD1 2.98Å
199	R	94.1	Very high	93.1	Very high	29 Å²	29	51.6 Å²	51.6	11%	0.109	27%	0.268	C	S	.	.	H	α-helix	trans	-69.7	-29.2	177.8	-72.3	171	-176.9	86.2	-9.6	112.7	T195 S196 G197 F202 P203 T205 K207 T208 D212	T195-R199 WeakPolarHBondContact OG1-CB 3.36Å; T195-R199 VanDerWaalsContact OG1-CD 3.25Å; T195-R199 WeakPolarHBondContact OG1-CD 3.29Å; S196-R199 PolarHBondContact O-N 2.87Å; S196-R199 VanDerWaalsContact OG-CB 3.28Å; S196-R199 WeakPolarHBondContact OG-CB 3.42Å; S196-R199 VanDerWaalsContact OG-CD 3.3Å; S196-R199 WeakPolarHBondContact OG-CD 3.14Å; S196-R199 WeakPolarHBondContact OG-CG 3.42Å; S196-R199 PolarHBondContact OG-N 3.21Å; S196-R199 PolarHBondContact OG-NH1 3.13Å; G197-R199 PolarHBondContact O-N 2.97Å; R199-F202 CarbonylContact O-C 3.56Å; R199-P203 VanDerWaalsContact O-CA 3.31Å; R199-P203 WeakPolarHBondContact O-CA 3.2Å; R199-T205 HydrophobicContact CG-CG2 4.11Å; R199-T205 WeakPolarHBondContact CG-O 3.5Å; R199-T205 PolarHBondContact NE-O 3.32Å; R199-K207 VanDerWaalsContact NH2-C 3.33Å; R199-T208 PolarHBondContact NH1-OG1 2.92Å; R199-T208 PolarHBondContact NH2-OG1 3.45Å; R199-D212 IonicContact NH1-OD2 3.1Å; R199-D212 PolarHBondContact NH1-OD2 2.72Å
200	V	90.6	Very high	92.4	Very high	52 Å²	52	58 Å²	58	32%	0.315	31%	0.312	S	S	.	.	H	α-helix	trans	-66.7	-48	170.7	175.1	0	0	0	0	110.4	L194 S196 G197 M198 I238 H242	L194-V200 HydrophobicContact CB-CG2 3.76Å; L194-V200 HydrophobicContact CD1-CG2 4.1Å; S196-V200 WeakPolarHBondContact O-CG2 3.38Å; S196-V200 PolarHBondContact O-N 3.44Å; S196-V200 VanDerWaalsContact O-N 3.16Å; G197-V200 PolarHBondContact O-N 3.45Å; M198-V200 VanDerWaalsContact C-N 3.31Å; M198-V200 PolarHBondContact O-N 3.25Å; V200-I238 HydrophobicContact CB-CD1 4.31Å; V200-I238 HydrophobicContact CG1-CD1 3.72Å; V200-I238 HydrophobicContact CG2-CD1 3.51Å; V200-H242 VanDerWaalsContact CG2-CE1 3.49Å; V200-H242 WeakPolarHBondContact CG2-CE1 3.43Å
201	A	87.7	Confident	91.8	Very high	64 Å²	64	62.7 Å²	62.7	53%	0.529	33%	0.332	S	S	.	.	H	α-helix	trans	-74.8	-30.3	-177.5	0	0	0	0	0	113.6	G197 M198	G197-A201 PolarHBondContact O-N 3.5Å; G197-A201 VanDerWaalsContact O-N 3.1Å; M198-A201 PolarHBondContact O-N 2.95Å
202	F	89.9	Confident	91.3	Very high	104 Å²	104	63.2 Å²	63.2	46%	0.456	34%	0.335	S	S	.	.			trans	-140.1	85.3	-174.5	-53	-75.3	0	0	0	109.4	M198 R199 D204 T205	M198-F202 HydrophobicContact CE-CD2 3.59Å; M198-F202 HydrophobicContact CE-CE2 3.98Å; M198-F202 CarbonylContact O-C 3.57Å; M198-F202 WeakPolarHBondContact O-CA 3.17Å; M198-F202 WeakPolarHBondContact O-CB 3.42Å; M198-F202 PolarHBondContact O-N 2.94Å; M198-F202 HydrophobicContact SD-CD2 4.02Å; M198-F202 HydrophobicContact SD-CE2 4.12Å; R199-F202 CarbonylContact O-C 3.56Å; F202-D204 PolarHBondContact O-N 2.8Å; F202-D204 VanDerWaalsContact O-N 3.08Å; F202-T205 WeakPolarHBondContact CB-OG1 3.32Å; F202-T205 VanDerWaalsContact O-CB 3.23Å; F202-T205 WeakPolarHBondContact O-CB 3.09Å; F202-T205 PolarHBondContact O-N 3Å; F202-T205 PolarHBondContact O-OG1 2.78Å
203	P	87.8	Confident	90.9	Very high	98 Å²	98	63.7 Å²	63.7	64%	0.636	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-31	-172.7	-30.5	37.2	0	0	0	115.1	R199 T205	R199-P203 VanDerWaalsContact O-CA 3.31Å; R199-P203 WeakPolarHBondContact O-CA 3.2Å; P203-T205 PolarHBondContact O-N 3.23Å; P203-T205 VanDerWaalsContact O-N 3.09Å
204	D	89.1	Confident	90.6	Very high	149 Å²	149	64.1 Å²	64.1	80%	0.797	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	4.6	178.4	-65.6	-48.6	0	0	0	114.5	F202 K206	F202-D204 PolarHBondContact O-N 2.8Å; F202-D204 VanDerWaalsContact O-N 3.08Å; D204-K206 WeakPolarHBondContact O-CG 3.34Å; D204-K206 PolarHBondContact O-N 3.02Å
205	T	89.3	Confident	90.5	Very high	19 Å²	19	64.7 Å²	64.7	12%	0.117	35%	0.345	C	S	.	.			trans	-69	103.5	-179.4	-63.6	0	0	0	0	111.9	M198 R199 F202 P203 K207 Y209	M198-T205 HydrophobicContact CB-CG2 4.17Å; R199-T205 HydrophobicContact CG-CG2 4.11Å; R199-T205 WeakPolarHBondContact CG-O 3.5Å; R199-T205 PolarHBondContact NE-O 3.32Å; F202-T205 WeakPolarHBondContact CB-OG1 3.32Å; F202-T205 VanDerWaalsContact O-CB 3.23Å; F202-T205 WeakPolarHBondContact O-CB 3.09Å; F202-T205 PolarHBondContact O-N 3Å; F202-T205 PolarHBondContact O-OG1 2.78Å; P203-T205 PolarHBondContact O-N 3.23Å; P203-T205 VanDerWaalsContact O-N 3.09Å; T205-K207 VanDerWaalsContact CG2-O 3.24Å; T205-K207 WeakPolarHBondContact CG2-O 3.44Å; T205-Y209 HydrophobicContact CG2-CD2 4.32Å; T205-Y209 HydrophobicContact CG2-CE2 3.99Å
206	K	89.5	Confident	90.5	Very high	190 Å²	190	64.5 Å²	64.5	83%	0.826	34%	0.344	S	S	*	.			trans	-86.1	-19.9	-177.7	-61.4	-174.7	-177.7	-177.5	0	115.2	D204	D204-K206 WeakPolarHBondContact O-CG 3.34Å; D204-K206 PolarHBondContact O-N 3.02Å
207	K	91.3	Very high	90.6	Very high	149 Å²	149	65.4 Å²	65.4	65%	0.648	35%	0.348	S	S	*	.	S	Bend	trans	-123.8	149.1	-174.6	-63.6	-177.7	-178.6	178.5	0	110.4	R199 T205	R199-K207 VanDerWaalsContact NH2-C 3.33Å; T205-K207 VanDerWaalsContact CG2-O 3.24Å; T205-K207 WeakPolarHBondContact CG2-O 3.44Å
208	T	92.1	Very high	90.9	Very high	44 Å²	44	68.2 Å²	68.2	27%	0.27	36%	0.359	S	S	.	.			trans	-83.8	121.6	171.1	-49.2	0	0	0	0	109.3	R199 D212 P215 D218	R199-T208 PolarHBondContact NH1-OG1 2.92Å; R199-T208 PolarHBondContact NH2-OG1 3.45Å; T208-D212 HydrophobicContact CG2-CB 4.02Å; T208-P215 HydrophobicContact CG2-CB 3.71Å; T208-D218 WeakPolarHBondContact CB-OD2 3.47Å; T208-D218 VanDerWaalsContact CG2-OD2 3.24Å; T208-D218 WeakPolarHBondContact CG2-OD2 3.34Å; T208-D218 PolarHBondContact OG1-OD1 3.06Å
209	Y	86.9	Confident	91.2	Very high	112 Å²	112	68 Å²	68	44%	0.439	36%	0.357	S	S	.	.			trans	-95	159.1	178.6	-62.7	-77.8	0	0	0	111	T205 F211 D212	T205-Y209 HydrophobicContact CG2-CD2 4.32Å; T205-Y209 HydrophobicContact CG2-CE2 3.99Å; Y209-F211 HydrophobicContact CD1-CE1 4.49Å; Y209-F211 HydrophobicContact CD1-CZ 4.3Å; Y209-F211 HydrophobicContact CD2-CE2 4.47Å; Y209-F211 HydrophobicContact CD2-CZ 4.26Å; Y209-F211 HydrophobicContact CG-CE1 4.24Å; Y209-F211 HydrophobicContact CG-CE2 4.31Å; Y209-F211 AromaticContact CG-CZ 3.82Å; Y209-F211 HydrophobicContact CG-CZ 3.82Å; Y209-F211 PolarHBondContact O-N 3.23Å; Y209-F211 VanDerWaalsContact O-N 3.11Å; Y209-D212 WeakPolarHBondContact O-CB 3.43Å; Y209-D212 PolarHBondContact O-N 2.82Å
210	C	85.6	Confident	91.4	Very high	138 Å²	138	66.6 Å²	66.6	93%	0.932	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.3	-178.3	61.8	0	0	0	0	114.6
211	F	85.3	Confident	91.8	Very high	97 Å²	97	66.9 Å²	66.9	43%	0.425	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	5.4	175.6	54.5	-99	0	0	0	112.6	M198 Y209 A213	M198-F211 HydrophobicContact CE-CE2 3.99Å; M198-F211 HydrophobicContact SD-CD2 4.31Å; M198-F211 HydrophobicContact SD-CE2 3.97Å; Y209-F211 HydrophobicContact CD1-CE1 4.49Å; Y209-F211 HydrophobicContact CD1-CZ 4.3Å; Y209-F211 HydrophobicContact CD2-CE2 4.47Å; Y209-F211 HydrophobicContact CD2-CZ 4.26Å; Y209-F211 HydrophobicContact CG-CE1 4.24Å; Y209-F211 HydrophobicContact CG-CE2 4.31Å; Y209-F211 AromaticContact CG-CZ 3.82Å; Y209-F211 HydrophobicContact CG-CZ 3.82Å; Y209-F211 PolarHBondContact O-N 3.23Å; Y209-F211 VanDerWaalsContact O-N 3.11Å; F211-A213 PolarHBondContact O-N 3.31Å
212	D	88.1	Confident	92.3	Very high	12 Å²	12	69.9 Å²	69.9	6%	0.064	36%	0.357	C	S	.	.			trans	-70.5	123.6	175.7	-164.3	-1.5	0	0	0	109.5	S196 M198 R199 T208 Y209	S196-D212 WeakPolarHBondContact CB-OD1 3.38Å; S196-D212 WeakPolarHBondContact CB-OD2 3.42Å; S196-D212 PolarHBondContact OG-OD2 3.31Å; M198-D212 HydrophobicContact CB-CB 4.42Å; M198-D212 WeakPolarHBondContact CB-OD1 3.33Å; M198-D212 HydrophobicContact CG-CB 3.89Å; M198-D212 WeakPolarHBondContact CG-OD1 3.47Å; M198-D212 PolarHBondContact N-OD1 2.98Å; R199-D212 IonicContact NH1-OD2 3.1Å; R199-D212 PolarHBondContact NH1-OD2 2.72Å; T208-D212 HydrophobicContact CG2-CB 4.02Å; Y209-D212 WeakPolarHBondContact O-CB 3.43Å; Y209-D212 PolarHBondContact O-N 2.82Å
213	A	90.5	Very high	92.7	Very high	11 Å²	11	64.9 Å²	64.9	9%	0.091	34%	0.335	C	S	.	.	S	Bend	trans	-83.6	146.2	178.4	0	0	0	0	0	109.8	T23 G197 F211	T23-A213 HydrophobicContact CG2-CB 3.71Å; G197-A213 PolarHBondContact N-O 3.14Å; F211-A213 PolarHBondContact O-N 3.31Å
214	F	92.9	Very high	93.2	Very high	9 Å²	9	62.8 Å²	62.8	4%	0.039	32%	0.32	C	S	.	.			trans	58.9	45.8	169.8	-40.9	-49.4	0	0	0	115.5	A27 F28 E139 I171 V174 L194 S196 N216	A27-F214 HydrophobicContact CB-CE2 3.8Å; A27-F214 HydrophobicContact CB-CZ 4.12Å; F28-F214 HydrophobicContact CE2-CE1 4.3Å; F28-F214 AromaticContact CE2-CZ 3.77Å; F28-F214 HydrophobicContact CE2-CZ 3.77Å; F28-F214 AromaticContact CZ-CE1 3.9Å; F28-F214 HydrophobicContact CZ-CE1 3.9Å; F28-F214 AromaticContact CZ-CZ 3.62Å; F28-F214 HydrophobicContact CZ-CZ 3.62Å; E139-F214 HydrophobicContact CB-CD1 3.97Å; E139-F214 HydrophobicContact CB-CE1 3.56Å; E139-F214 HydrophobicContact CG-CD1 3.66Å; E139-F214 HydrophobicContact CG-CE1 3.79Å; E139-F214 WeakPolarHBondContact OE1-CA 3.39Å; E139-F214 PolarHBondContact OE1-N 2.9Å; I171-F214 HydrophobicContact CD1-CE2 4.42Å; I171-F214 HydrophobicContact CD1-CZ 4.38Å; V174-F214 HydrophobicContact CB-CB 4.32Å; V174-F214 HydrophobicContact CB-CD1 4.45Å; V174-F214 HydrophobicContact CG1-CB 3.7Å; V174-F214 HydrophobicContact CG1-CD1 3.57Å; V174-F214 HydrophobicContact CG1-CE1 4.47Å; V174-F214 HydrophobicContact CG1-CG 3.93Å; V174-F214 HydrophobicContact CG2-CB 3.62Å; V174-F214 HydrophobicContact CG2-CD1 4.3Å; V174-F214 HydrophobicContact CG2-CG 3.94Å; L194-F214 HydrophobicContact CD1-CB 4.34Å; L194-F214 HydrophobicContact CD1-CD2 4.28Å; S196-F214 WeakPolarHBondContact CA-O 3.2Å; F214-N216 PolarHBondContact O-N 3.36Å
215	P	95	Very high	93.6	Very high	21 Å²	21	55.7 Å²	55.7	14%	0.136	28%	0.283	C	S	.	.			trans	-73.8	70	-173.9	33.6	-38.1	0	0	0	112.4	T195 T208 I217 D218	T195-P215 CarbonylContact O-C 3.59Å; T208-P215 HydrophobicContact CG2-CB 3.71Å; P215-I217 PolarHBondContact O-N 3.2Å; P215-D218 HydrophobicContact CB-CB 4.4Å; P215-D218 PolarHBondContact O-N 2.73Å; P215-D218 VanDerWaalsContact O-N 3.1Å
216	N	97.7	Very high	94	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-56.6	-33.3	174.8	-75.7	-20.8	0	0	0	111.6	V174 V177 L194 T195 F214 D218 K219 I220 L246	V174-N216 WeakPolarHBondContact CA-OD1 3.43Å; V177-N216 HydrophobicContact CG1-CB 4.39Å; L194-N216 WeakPolarHBondContact O-CB 3.33Å; L194-N216 PolarHBondContact O-ND2 3.33Å; T195-N216 PolarHBondContact O-N 2.98Å; F214-N216 PolarHBondContact O-N 3.36Å; N216-D218 PolarHBondContact O-N 3.48Å; N216-K219 PolarHBondContact O-N 3.37Å; N216-I220 PolarHBondContact O-N 3.12Å; N216-L246 HydrophobicContact CB-CD2 4.23Å
217	I	97.3	Very high	94.5	Very high	20 Å²	20	46.1 Å²	46.1	10%	0.103	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-57.1	-30	177.4	-162.4	70.2	0	0	0	113.1	T195 P215 A245 L246	T195-I217 HydrophobicContact CG2-CD1 4Å; T195-I217 PolarHBondContact O-N 3.33Å; P215-I217 PolarHBondContact O-N 3.2Å; I217-A245 HydrophobicContact CD1-CB 4.48Å; I217-L246 HydrophobicContact CD1-CD2 4.12Å
218	D	96.8	Very high	94.8	Very high	79 Å²	79	39 Å²	39	42%	0.422	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-86.4	-10.7	179	-66.7	-1.7	0	0	0	112.6	T208 P215 N216	T208-D218 WeakPolarHBondContact CB-OD2 3.47Å; T208-D218 VanDerWaalsContact CG2-OD2 3.24Å; T208-D218 WeakPolarHBondContact CG2-OD2 3.34Å; T208-D218 PolarHBondContact OG1-OD1 3.06Å; P215-D218 HydrophobicContact CB-CB 4.4Å; P215-D218 PolarHBondContact O-N 2.73Å; P215-D218 VanDerWaalsContact O-N 3.1Å; N216-D218 PolarHBondContact O-N 3.48Å
219	K	98.1	Very high	95.2	Very high	31 Å²	31	36.9 Å²	36.9	14%	0.135	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.1	-31.7	-173	-61.2	-177.5	-172.5	-172.6	0	113.2	Y143 V177 D178 A181 N216 S221 K222	Y143-K219 PolarHBondContact OH-NZ 2.8Å; V177-K219 HydrophobicContact CG1-CB 3.74Å; D178-K219 HydrophobicContact CB-CD 4.32Å; D178-K219 IonicContact OD1-NZ 2.71Å; D178-K219 PolarHBondContact OD1-NZ 3.3Å; A181-K219 HydrophobicContact CB-CB 4.45Å; N216-K219 PolarHBondContact O-N 3.37Å; K219-S221 PolarHBondContact O-N 2.78Å; K219-K222 WeakPolarHBondContact O-CB 3.37Å; K219-K222 PolarHBondContact O-N 3.25Å
220	I	98.4	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-58.5	-33.8	-171.5	-169.2	59.7	0	0	0	113.4	V177 L190 N216 K222 V223 L246 R249	V177-I220 HydrophobicContact CG1-CB 4.4Å; V177-I220 HydrophobicContact CG1-CD1 4.3Å; V177-I220 HydrophobicContact CG2-CD1 4.19Å; L190-I220 HydrophobicContact CD1-CD1 3.83Å; N216-I220 PolarHBondContact O-N 3.12Å; I220-K222 PolarHBondContact O-N 2.95Å; I220-K222 VanDerWaalsContact O-N 3.1Å; I220-V223 HydrophobicContact CD1-CG2 4.13Å; I220-V223 WeakPolarHBondContact O-CB 3.27Å; I220-V223 PolarHBondContact O-N 2.97Å; I220-V223 VanDerWaalsContact O-N 3.09Å; I220-L246 HydrophobicContact CB-CD2 3.95Å; I220-L246 HydrophobicContact CG1-CB 4.45Å; I220-L246 HydrophobicContact CG1-CD2 4.24Å; I220-L246 HydrophobicContact CG2-CD2 3.78Å; I220-R249 HydrophobicContact CG2-CB 3.72Å
221	S	97.8	Very high	96.4	Very high	58 Å²	58	25 Å²	25	41%	0.406	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-69.6	-5	177.5	61.3	0	0	0	0	114	K219 Q251	K219-S221 PolarHBondContact O-N 2.78Å; S221-Q251 VanDerWaalsContact O-CD 3.29Å; S221-Q251 VanDerWaalsContact O-CG 3.3Å; S221-Q251 WeakPolarHBondContact O-CG 3.26Å; S221-Q251 PolarHBondContact O-NE2 3.04Å
222	K	98.4	Very high	97	Very high	126 Å²	126	20.4 Å²	20.4	55%	0.548	11%	0.111	S	C	.	.	G	3₁₀ helix	trans	-98.1	-9.1	174.3	-55.7	177.3	-174.8	172.5	0	112.6	A181 K219 I220 T224	A181-K222 HydrophobicContact CB-CB 3.91Å; K219-K222 WeakPolarHBondContact O-CB 3.37Å; K219-K222 PolarHBondContact O-N 3.25Å; I220-K222 PolarHBondContact O-N 2.95Å; I220-K222 VanDerWaalsContact O-N 3.1Å; K222-T224 PolarHBondContact O-N 3.1Å
223	V	98.7	Very high	97.5	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.118	C	C	.	.			trans	-75.6	115.3	178.3	180	0	0	0	0	108.9	V177 A180 A181 V188 I220 V227	V177-V223 HydrophobicContact CG1-CG2 4.44Å; A180-V223 HydrophobicContact CB-CG1 3.97Å; A180-V223 HydrophobicContact CB-CG2 4.03Å; A181-V223 HydrophobicContact CB-CG2 4.34Å; V188-V223 HydrophobicContact CG2-CG1 3.85Å; I220-V223 HydrophobicContact CD1-CG2 4.13Å; I220-V223 WeakPolarHBondContact O-CB 3.27Å; I220-V223 PolarHBondContact O-N 2.97Å; I220-V223 VanDerWaalsContact O-N 3.09Å; V223-V227 HydrophobicContact CB-CG2 4.45Å; V223-V227 HydrophobicContact CG1-CG2 3.72Å
224	T	97.8	Very high	97.8	Very high	54 Å²	54	26.6 Å²	26.6	33%	0.331	14%	0.14	S	C	.	.			trans	-97	-11.8	-179.6	61	0	0	0	0	113.3	K222 R252	K222-T224 PolarHBondContact O-N 3.1Å; T224-R252 WeakPolarHBondContact O-CD 3.16Å; T224-R252 PolarHBondContact O-NH1 3.35Å; T224-R252 VanDerWaalsContact O-NH1 3.08Å
225	S	98.3	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-70.8	154.7	171.6	-52.8	0	0	0	0	110.9	S185 V227	S185-S225 PolarHBondContact N-OG 2.78Å; S185-S225 PolarHBondContact O-OG 3.15Å; S185-S225 PolarHBondContact OG-OG 2.87Å; S225-V227 WeakPolarHBondContact O-CG2 3.35Å; S225-V227 PolarHBondContact O-N 3.29Å
226	P	98.4	Very high	97.9	Very high	7 Å²	7	34 Å²	34	5%	0.045	17%	0.173	C	C	.	.			trans	-55.5	134.1	167.5	-22.5	33	0	0	0	111.6	A186 A187 V188 R252 V254 L288	A186-P226 WeakPolarHBondContact O-CD 3.36Å; A187-P226 CarbonylContact C-O 3.27Å; A187-P226 WeakPolarHBondContact CA-O 3.4Å; V188-P226 PolarHBondContact N-O 2.98Å; P226-R252 WeakPolarHBondContact CA-O 3.48Å; P226-V254 HydrophobicContact CB-CG1 4.05Å; P226-L288 HydrophobicContact CB-CD1 4.1Å; P226-L288 HydrophobicContact CG-CD1 3.72Å
227	V	98.8	Very high	97.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	119.5	-177.5	-172	0	0	0	0	111.1	V188 L190 V223 S225 V229 C250 R252 V254	V188-V227 HydrophobicContact CB-CG1 4.41Å; V188-V227 HydrophobicContact CB-CG2 4.29Å; V188-V227 WeakPolarHBondContact O-CA 3.48Å; L190-V227 HydrophobicContact CD1-CG1 4Å; L190-V227 HydrophobicContact CG-CG1 4.11Å; V223-V227 HydrophobicContact CB-CG2 4.45Å; V223-V227 HydrophobicContact CG1-CG2 3.72Å; S225-V227 WeakPolarHBondContact O-CG2 3.35Å; S225-V227 PolarHBondContact O-N 3.29Å; V227-V229 HydrophobicContact CG1-CG2 4.2Å; V227-C250 HydrophobicContact CB-CB 4.36Å; V227-C250 HydrophobicContact CG2-CB 4.43Å; V227-R252 PolarHBondContact N-O 3.32Å; V227-V254 WeakPolarHBondContact O-CG2 3.49Å; V227-V254 PolarHBondContact O-N 3.25Å
228	L	98.9	Very high	97.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.6	167.6	171.9	59.5	0	0	0	109	V188 V189 L190 I230 V254 E255 R276 L277 F280	V188-L228 PolarHBondContact O-N 2.81Å; V189-L228 CarbonylContact C-O 3.57Å; V189-L228 WeakPolarHBondContact CA-O 3.46Å; V189-L228 HydrophobicContact CG1-CD2 4.42Å; V189-L228 HydrophobicContact CG1-CG 4.48Å; V189-L228 HydrophobicContact CG2-CB 4.34Å; V189-L228 HydrophobicContact CG2-CD2 4.38Å; L190-L228 PolarHBondContact N-O 3.18Å; L228-I230 HydrophobicContact CD1-CG1 4.36Å; L228-I230 HydrophobicContact CD2-CD1 4.1Å; L228-I230 HydrophobicContact CD2-CG1 4.25Å; L228-I230 HydrophobicContact CG-CD1 4.38Å; L228-I230 HydrophobicContact CG-CG1 4Å; L228-V254 HydrophobicContact CB-CG2 3.7Å; L228-V254 HydrophobicContact CD1-CG2 4.15Å; L228-E255 WeakPolarHBondContact CD1-O 3.41Å; L228-R276 HydrophobicContact CD1-CG 4.23Å; L228-R276 HydrophobicContact CD2-CG 4.21Å; L228-L277 HydrophobicContact CD2-CD2 3.99Å; L228-F280 HydrophobicContact CB-CD1 4.21Å; L228-F280 HydrophobicContact CB-CE1 3.91Å; L228-F280 HydrophobicContact CB-CE2 4.34Å; L228-F280 HydrophobicContact CB-CZ 3.96Å; L228-F280 HydrophobicContact CD2-CB 4.06Å; L228-F280 HydrophobicContact CD2-CD1 3.72Å; L228-F280 HydrophobicContact CD2-CE1 4.26Å; L228-F280 HydrophobicContact CD2-CG 3.88Å
229	V	98.9	Very high	97.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.7	171	-171.1	0	0	0	0	109.2	L190 P193 V227 Y247 P256 L257 W258	L190-V229 HydrophobicContact CB-CG2 4.46Å; L190-V229 WeakPolarHBondContact O-CA 3.38Å; P193-V229 HydrophobicContact CG-CG1 3.99Å; V227-V229 HydrophobicContact CG1-CG2 4.2Å; V229-Y247 HydrophobicContact CG2-CD2 4.21Å; V229-P256 CarbonylContact O-C 3.56Å; V229-P256 WeakPolarHBondContact O-CA 3.37Å; V229-L257 PolarHBondContact O-N 3.33Å; V229-W258 HydrophobicContact CB-CH2 3.95Å; V229-W258 HydrophobicContact CB-CZ3 4.12Å; V229-W258 HydrophobicContact CG1-CH2 3.83Å; V229-W258 HydrophobicContact CG1-CZ3 3.71Å
230	I	98.9	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.2	176.1	-54.2	179.8	0	0	0	107.8	V189 L190 H191 S192 L228 L257 V267 Y273 L277	V189-I230 HydrophobicContact CG1-CD1 3.99Å; V189-I230 HydrophobicContact CG1-CG1 4.41Å; L190-I230 PolarHBondContact O-N 2.79Å; H191-I230 CarbonylContact C-O 3.52Å; H191-I230 WeakPolarHBondContact CA-O 3.42Å; S192-I230 PolarHBondContact N-O 3.04Å; L228-I230 HydrophobicContact CD1-CG1 4.36Å; L228-I230 HydrophobicContact CD2-CD1 4.1Å; L228-I230 HydrophobicContact CD2-CG1 4.25Å; L228-I230 HydrophobicContact CG-CD1 4.38Å; L228-I230 HydrophobicContact CG-CG1 4Å; I230-L257 CarbonylContact C-O 3.53Å; I230-L257 VanDerWaalsContact CA-O 3.31Å; I230-L257 WeakPolarHBondContact CA-O 3.19Å; I230-L257 HydrophobicContact CB-CB 4.46Å; I230-L257 HydrophobicContact CG1-CB 4.15Å; I230-L257 HydrophobicContact CG2-CB 4.2Å; I230-L257 HydrophobicContact CG2-CD2 3.94Å; I230-L257 HydrophobicContact CG2-CG 4.36Å; I230-V267 HydrophobicContact CG2-CG1 3.8Å; I230-Y273 HydrophobicContact CD1-CD2 4.14Å; I230-Y273 HydrophobicContact CD1-CE2 4.05Å; I230-Y273 HydrophobicContact CG2-CD2 4.2Å; I230-L277 HydrophobicContact CD1-CD2 3.9Å; I230-L277 HydrophobicContact CD1-CG 4.15Å
231	H	98.8	Very high	97.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	140.7	-179.1	-144.6	126.7	0	0	0	111	P193 D235 I238 F240 G243 L257 W258 V259	P193-H231 WeakPolarHBondContact CD-ND1 3.49Å; H231-D235 IonicContact CD2-OD2 3.45Å; H231-D235 IonicContact NE2-OD2 3.2Å; H231-D235 PolarHBondContact NE2-OD2 2.99Å; H231-D235 VanDerWaalsContact NE2-OD2 3.08Å; H231-I238 PolarHBondContact CE1-O 2.88Å; H231-I238 PolarHBondContact NE2-O 3.46Å; H231-F240 HydrophobicContact CB-CD2 4.14Å; H231-F240 HydrophobicContact CB-CE2 4.46Å; H231-G243 WeakPolarHBondContact ND1-CA 3.27Å; H231-G243 PolarHBondContact ND1-N 3.27Å; H231-L257 PolarHBondContact N-O 3.42Å; H231-W258 HydrophobicContact CB-CE3 3.89Å; H231-W258 HydrophobicContact CB-CZ3 3.85Å; H231-W258 CarbonylContact O-C 3.56Å; H231-W258 WeakPolarHBondContact O-CA 3.41Å; H231-V259 PolarHBondContact O-N 3.39Å
232	G	98.6	Very high	97.4	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	142.9	168.1	0	0	0	0	0	112.3	E234 V259 A262	G232-E234 VanDerWaalsContact C-N 3.31Å; G232-V259 WeakPolarHBondContact CA-O 3.26Å; G232-A262 CarbonylContact C-O 3.56Å; G232-A262 VanDerWaalsContact C-O 3.27Å; G232-A262 WeakPolarHBondContact CA-O 3.34Å
233	T	98.4	Very high	97.4	Very high	37 Å²	37	33.1 Å²	33.1	23%	0.227	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-18	-179.4	60.5	0	0	0	0	113.4	F240 W258 V259 E260 G261 A262	T233-F240 HydrophobicContact CG2-CD2 4.41Å; T233-F240 HydrophobicContact CG2-CE2 4.34Å; T233-W258 HydrophobicContact CG2-CB 4.26Å; T233-V259 PolarHBondContact N-O 3.02Å; T233-E260 WeakPolarHBondContact OG1-CA 3.35Å; T233-E260 PolarHBondContact OG1-OE1 2.98Å; T233-G261 PolarHBondContact OG1-N 2.78Å; T233-A262 PolarHBondContact N-O 2.74Å
234	E	97.9	Very high	97.4	Very high	117 Å²	117	35.9 Å²	35.9	55%	0.547	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	32.5	178.6	-61.9	-173.2	-172.8	0	0	111.4	G232 E236 A262 G263	G232-E234 VanDerWaalsContact C-N 3.31Å; E234-E236 PolarHBondContact O-N 3.05Å; E234-A262 CarbonylContact C-O 3.22Å; E234-A262 WeakPolarHBondContact CA-O 3.44Å; E234-A262 PolarHBondContact N-O 2.96Å; E234-G263 WeakPolarHBondContact O-CA 3.31Å
235	D	97.3	Very high	97.5	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.027	18%	0.182	C	C	.	.			trans	-72.5	97.5	179	-170.6	-21.8	0	0	0	112.1	H231 V237 I238 D239 H264	H231-D235 IonicContact CD2-OD2 3.45Å; H231-D235 IonicContact NE2-OD2 3.2Å; H231-D235 PolarHBondContact NE2-OD2 2.99Å; H231-D235 VanDerWaalsContact NE2-OD2 3.08Å; D235-V237 VanDerWaalsContact C-N 3.3Å; D235-V237 PolarHBondContact O-N 3.04Å; D235-V237 PolarHBondContact OD1-N 3.27Å; D235-I238 VanDerWaalsContact CB-O 3.31Å; D235-I238 WeakPolarHBondContact CB-O 3.07Å; D235-I238 CarbonylContact O-C 3.58Å; D235-I238 PolarHBondContact OD1-N 2.97Å; D235-D239 WeakPolarHBondContact O-CA 3.16Å; D235-D239 PolarHBondContact O-N 2.48Å; D235-H264 VanDerWaalsContact CG-ND1 3.3Å; D235-H264 WeakPolarHBondContact OD1-CB 3.24Å; D235-H264 IonicContact OD1-CG 2.7Å; D235-H264 IonicContact OD1-ND1 3.67Å; D235-H264 PolarHBondContact OD1-ND1 3.46Å; D235-H264 VanDerWaalsContact OD1-ND1 3.1Å; D235-H264 IonicContact OD2-CE1 3.08Å; D235-H264 IonicContact OD2-CG 3.71Å; D235-H264 IonicContact OD2-ND1 3.77Å; D235-H264 PolarHBondContact OD2-ND1 3.05Å
236	E	91.1	Very high	97.5	Very high	180 Å²	180	34.2 Å²	34.2	84%	0.841	18%	0.182	S	C	*	.	S	Bend	trans	-78.5	-5.3	178.8	-64.4	-64.6	149.4	0	0	114.6	E234	E234-E236 PolarHBondContact O-N 3.05Å
237	V	91.8	Very high	97.5	Very high	80 Å²	80	36.6 Å²	36.6	49%	0.485	19%	0.19	S	C	.	.	S	Bend	trans	-98.1	-47.7	179.1	-178.1	0	0	0	0	110.1	D235 H264	D235-V237 VanDerWaalsContact C-N 3.3Å; D235-V237 PolarHBondContact O-N 3.04Å; D235-V237 PolarHBondContact OD1-N 3.27Å; V237-H264 HydrophobicContact CB-CB 3.76Å; V237-H264 HydrophobicContact CG2-CB 3.63Å
238	I	93.9	Very high	97.5	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.056	22%	0.219	C	C	.	.	S	Bend	trans	-129.1	97.2	176.2	-52	-64.6	0	0	0	106.8	P193 L194 V200 H231 D235 F240 H242 H264	P193-I238 VanDerWaalsContact O-CG2 3.27Å; P193-I238 WeakPolarHBondContact O-CG2 3.43Å; L194-I238 HydrophobicContact CB-CD1 4.29Å; L194-I238 HydrophobicContact CB-CG2 4.05Å; V200-I238 HydrophobicContact CB-CD1 4.31Å; V200-I238 HydrophobicContact CG1-CD1 3.72Å; V200-I238 HydrophobicContact CG2-CD1 3.51Å; H231-I238 PolarHBondContact CE1-O 2.88Å; H231-I238 PolarHBondContact NE2-O 3.46Å; D235-I238 VanDerWaalsContact CB-O 3.31Å; D235-I238 WeakPolarHBondContact CB-O 3.07Å; D235-I238 CarbonylContact O-C 3.58Å; D235-I238 PolarHBondContact OD1-N 2.97Å; I238-F240 PolarHBondContact O-N 3.31Å; I238-H242 HydrophobicContact CG2-CB 3.85Å; I238-H264 VanDerWaalsContact CG1-CE1 3.42Å; I238-H264 WeakPolarHBondContact CG1-CE1 3.43Å
239	D	97.3	Very high	97.4	Very high	87 Å²	87	48.3 Å²	48.3	47%	0.465	24%	0.24	S	C	.	.			trans	-47	139.6	-176.3	179	-94.3	0	0	0	112.7	D235 S241 H242	D235-D239 WeakPolarHBondContact O-CA 3.16Å; D235-D239 PolarHBondContact O-N 2.48Å; D239-S241 PolarHBondContact O-N 3.29Å; D239-S241 WeakPolarHBondContact OD1-CA 3.2Å; D239-S241 WeakPolarHBondContact OD1-CB 3.45Å; D239-S241 PolarHBondContact OD1-N 3.14Å; D239-S241 PolarHBondContact OD1-OG 2.92Å; D239-H242 WeakPolarHBondContact O-CB 3.33Å; D239-H242 PolarHBondContact O-N 3.13Å
240	F	97.9	Very high	97.2	Very high	50 Å²	50	49 Å²	49	22%	0.219	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-31.9	-178.8	171.2	-105.8	0	0	0	113.6	H231 T233 I238 H242 G243 L244 W258	H231-F240 HydrophobicContact CB-CD2 4.14Å; H231-F240 HydrophobicContact CB-CE2 4.46Å; T233-F240 HydrophobicContact CG2-CD2 4.41Å; T233-F240 HydrophobicContact CG2-CE2 4.34Å; I238-F240 PolarHBondContact O-N 3.31Å; F240-H242 PolarHBondContact O-N 3.38Å; F240-G243 PolarHBondContact O-N 3.04Å; F240-G243 VanDerWaalsContact O-N 3.09Å; F240-L244 HydrophobicContact CE1-CB 4.38Å; F240-L244 HydrophobicContact CE1-CD2 4.36Å; F240-L244 PolarHBondContact O-N 3.16Å; F240-W258 HydrophobicContact CD2-CE3 4.49Å; F240-W258 HydrophobicContact CE2-CB 4.03Å; F240-W258 AromaticContact CE2-CD2 3.59Å; F240-W258 HydrophobicContact CE2-CD2 3.59Å; F240-W258 AromaticContact CE2-CE3 3.54Å; F240-W258 HydrophobicContact CE2-CE3 3.54Å; F240-W258 AromaticContact CE2-CG 3.81Å; F240-W258 HydrophobicContact CE2-CG 3.81Å; F240-W258 HydrophobicContact CE2-CZ3 4.18Å; F240-W258 HydrophobicContact CZ-CB 4.4Å; F240-W258 AromaticContact CZ-CD2 3.88Å; F240-W258 HydrophobicContact CZ-CD2 3.88Å; F240-W258 HydrophobicContact CZ-CE3 4.25Å; F240-W258 AromaticContact CZ-CG 3.94Å; F240-W258 HydrophobicContact CZ-CG 3.94Å
241	S	98	Very high	97.1	Very high	58 Å²	58	54.4 Å²	54.4	41%	0.406	27%	0.27	S	S	.	.	H	α-helix	trans	-57.4	-23.4	176.9	68.3	0	0	0	0	113.3	D239 A245	D239-S241 PolarHBondContact O-N 3.29Å; D239-S241 WeakPolarHBondContact OD1-CA 3.2Å; D239-S241 WeakPolarHBondContact OD1-CB 3.45Å; D239-S241 PolarHBondContact OD1-N 3.14Å; D239-S241 PolarHBondContact OD1-OG 2.92Å; S241-A245 WeakPolarHBondContact O-CB 3.3Å; S241-A245 PolarHBondContact O-N 3.04Å
242	H	98.4	Very high	97	Very high	9 Å²	9	59.4 Å²	59.4	4%	0.042	29%	0.289	C	S	.	.	H	α-helix	trans	-68.7	-45.7	176.3	-75.9	-137.9	0	0	0	112.1	P193 L194 T195 V200 I238 D239 F240 A245 L246	P193-H242 WeakPolarHBondContact O-CB 3.46Å; L194-H242 WeakPolarHBondContact CA-ND1 3.49Å; T195-H242 HydrophobicContact CG2-CB 4Å; T195-H242 PolarHBondContact N-ND1 3.37Å; T195-H242 VanDerWaalsContact N-ND1 3.13Å; T195-H242 PolarHBondContact OG1-CE1 2.78Å; T195-H242 VanDerWaalsContact OG1-CE1 3.25Å; T195-H242 PolarHBondContact OG1-ND1 3.2Å; V200-H242 VanDerWaalsContact CG2-CE1 3.49Å; V200-H242 WeakPolarHBondContact CG2-CE1 3.43Å; I238-H242 HydrophobicContact CG2-CB 3.85Å; D239-H242 WeakPolarHBondContact O-CB 3.33Å; D239-H242 PolarHBondContact O-N 3.13Å; F240-H242 PolarHBondContact O-N 3.38Å; H242-A245 PolarHBondContact O-N 3.16Å; H242-L246 WeakPolarHBondContact O-CG 3.49Å; H242-L246 PolarHBondContact O-N 3.13Å; H242-L246 VanDerWaalsContact O-N 3.11Å
243	G	98.3	Very high	97	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.9	-48.9	174.6	0	0	0	0	0	111.3	H231 F240 A245 L246 Y247	H231-G243 WeakPolarHBondContact ND1-CA 3.27Å; H231-G243 PolarHBondContact ND1-N 3.27Å; F240-G243 PolarHBondContact O-N 3.04Å; F240-G243 VanDerWaalsContact O-N 3.09Å; G243-A245 PolarHBondContact O-N 2.63Å; G243-L246 PolarHBondContact O-N 3.27Å; G243-Y247 WeakPolarHBondContact O-CB 3.46Å; G243-Y247 PolarHBondContact O-N 3.39Å
244	L	98.6	Very high	96.9	Very high	59 Å²	59	61.1 Å²	61.1	31%	0.309	30%	0.3	S	S	.	.	H	α-helix	trans	-58.9	-47.6	177.4	-176.4	61.7	0	0	0	111.9	F240 L246 Y247 E248 W258	F240-L244 HydrophobicContact CE1-CB 4.38Å; F240-L244 HydrophobicContact CE1-CD2 4.36Å; F240-L244 PolarHBondContact O-N 3.16Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.12Å; L244-Y247 WeakPolarHBondContact O-CB 3.48Å; L244-Y247 PolarHBondContact O-N 3.14Å; L244-E248 HydrophobicContact CD1-CG 4.33Å; L244-E248 WeakPolarHBondContact O-CG 3.43Å; L244-E248 PolarHBondContact O-N 2.99Å; L244-W258 HydrophobicContact CD1-CZ2 4.41Å
245	A	98.3	Very high	96.9	Very high	19 Å²	19	61.9 Å²	61.9	16%	0.157	30%	0.304	C	S	.	.	H	α-helix	trans	-64.3	-34.1	-178.2	0	0	0	0	0	113.4	T195 I217 S241 H242 G243 R249	T195-A245 HydrophobicContact CG2-CB 3.91Å; I217-A245 HydrophobicContact CD1-CB 4.48Å; S241-A245 WeakPolarHBondContact O-CB 3.3Å; S241-A245 PolarHBondContact O-N 3.04Å; H242-A245 PolarHBondContact O-N 3.16Å; G243-A245 PolarHBondContact O-N 2.63Å; A245-R249 WeakPolarHBondContact O-CD 3.36Å; A245-R249 WeakPolarHBondContact O-CG 3.47Å; A245-R249 PolarHBondContact O-NH1 3.26Å
246	L	98.5	Very high	97	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-74.7	-42.7	174.6	-70.4	177.6	0	0	0	111.3	L190 P193 T195 N216 I217 I220 H242 G243 L244 E248 R249 C250	L190-L246 HydrophobicContact CD1-CD1 4.5Å; P193-L246 HydrophobicContact CB-CD1 3.56Å; P193-L246 HydrophobicContact CG-CD1 3.8Å; T195-L246 HydrophobicContact CG2-CD2 4.25Å; T195-L246 HydrophobicContact CG2-CG 3.98Å; N216-L246 HydrophobicContact CB-CD2 4.23Å; I217-L246 HydrophobicContact CD1-CD2 4.12Å; I220-L246 HydrophobicContact CB-CD2 3.95Å; I220-L246 HydrophobicContact CG1-CB 4.45Å; I220-L246 HydrophobicContact CG1-CD2 4.24Å; I220-L246 HydrophobicContact CG2-CD2 3.78Å; H242-L246 WeakPolarHBondContact O-CG 3.49Å; H242-L246 PolarHBondContact O-N 3.13Å; H242-L246 VanDerWaalsContact O-N 3.11Å; G243-L246 PolarHBondContact O-N 3.27Å; L244-L246 VanDerWaalsContact C-N 3.32Å; L244-L246 PolarHBondContact O-N 3.12Å; L246-E248 PolarHBondContact O-N 3.07Å; L246-R249 PolarHBondContact O-N 3.18Å; L246-R249 VanDerWaalsContact O-N 3.11Å; L246-C250 PolarHBondContact O-N 2.87Å; L246-C250 VanDerWaalsContact O-N 3.13Å; L246-C250 PolarHBondContact O-SG 2.6Å
247	Y	98.6	Very high	97.4	Very high	56 Å²	56	54.6 Å²	54.6	22%	0.22	27%	0.271	C	S	.	.	H	α-helix	trans	-54.1	-50.1	175.2	173.9	-100	0	0	0	111.8	V229 G243 L244 R249 C250 P253 V254 P256 W258	V229-Y247 HydrophobicContact CG2-CD2 4.21Å; G243-Y247 WeakPolarHBondContact O-CB 3.46Å; G243-Y247 PolarHBondContact O-N 3.39Å; L244-Y247 WeakPolarHBondContact O-CB 3.48Å; L244-Y247 PolarHBondContact O-N 3.14Å; Y247-R249 PolarHBondContact O-N 3.24Å; Y247-R249 VanDerWaalsContact O-N 3.12Å; Y247-C250 WeakPolarHBondContact O-CB 3.28Å; Y247-C250 PolarHBondContact O-N 2.68Å; Y247-C250 VanDerWaalsContact O-N 3.17Å; Y247-P253 HydrophobicContact CD2-CB 3.78Å; Y247-P253 HydrophobicContact CE2-CB 3.38Å; Y247-P253 HydrophobicContact CE2-CG 4.42Å; Y247-V254 WeakPolarHBondContact CE2-O 3.21Å; Y247-P256 HydrophobicContact CD2-CB 3.92Å; Y247-P256 HydrophobicContact CD2-CG 4.12Å; Y247-P256 HydrophobicContact CE1-CG 4.32Å; Y247-P256 HydrophobicContact CE2-CB 3.88Å; Y247-P256 HydrophobicContact CE2-CG 3.71Å; Y247-W258 HydrophobicContact CD1-CZ2 4.28Å; Y247-W258 HydrophobicContact CG-CH2 4.25Å; Y247-W258 HydrophobicContact CG-CZ2 4.1Å
248	E	98.3	Very high	97.7	Very high	130 Å²	130	54.1 Å²	54.1	61%	0.607	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-20.6	179.3	-71.6	176.9	159	0	0	114.2	L244 L246	L244-E248 HydrophobicContact CD1-CG 4.33Å; L244-E248 WeakPolarHBondContact O-CG 3.43Å; L244-E248 PolarHBondContact O-N 2.99Å; L246-E248 PolarHBondContact O-N 3.07Å
249	R	97.9	Very high	97.9	Very high	116 Å²	116	53.6 Å²	53.6	44%	0.438	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-3.7	-178.6	-71.9	173	178.8	74.8	1.2	113.7	I220 A245 L246 Y247	I220-R249 HydrophobicContact CG2-CB 3.72Å; A245-R249 WeakPolarHBondContact O-CD 3.36Å; A245-R249 WeakPolarHBondContact O-CG 3.47Å; A245-R249 PolarHBondContact O-NH1 3.26Å; L246-R249 PolarHBondContact O-N 3.18Å; L246-R249 VanDerWaalsContact O-N 3.11Å; Y247-R249 PolarHBondContact O-N 3.24Å; Y247-R249 VanDerWaalsContact O-N 3.12Å
250	C	95.4	Very high	97.9	Very high	14 Å²	14	56.1 Å²	56.1	10%	0.095	27%	0.267	C	S	.	.			trans	-65.1	142.8	174.6	-70.1	0	0	0	0	110	V227 L246 Y247 P253	V227-C250 HydrophobicContact CB-CB 4.36Å; V227-C250 HydrophobicContact CG2-CB 4.43Å; L246-C250 PolarHBondContact O-N 2.87Å; L246-C250 VanDerWaalsContact O-N 3.13Å; L246-C250 PolarHBondContact O-SG 2.6Å; Y247-C250 WeakPolarHBondContact O-CB 3.28Å; Y247-C250 PolarHBondContact O-N 2.68Å; Y247-C250 VanDerWaalsContact O-N 3.17Å; C250-P253 HydrophobicContact CB-CB 4.02Å; C250-P253 HydrophobicContact CB-CG 4.31Å; C250-P253 WeakPolarHBondContact O-CD 3.47Å
251	Q	96.1	Very high	97.9	Very high	115 Å²	115	54.8 Å²	54.8	54%	0.537	27%	0.268	S	S	.	.	S	Bend	trans	-72.9	-35.4	172.3	-64.3	-165.7	-7.5	0	0	112	S221	S221-Q251 VanDerWaalsContact O-CD 3.29Å; S221-Q251 VanDerWaalsContact O-CG 3.3Å; S221-Q251 WeakPolarHBondContact O-CG 3.26Å; S221-Q251 PolarHBondContact O-NE2 3.04Å
252	R	96.7	Very high	97.9	Very high	104 Å²	104	52 Å²	52	39%	0.392	25%	0.249	S	C	.	.	S	Bend	trans	-133.1	64.5	-178	-67.7	177.2	68.8	-162.8	5.2	111.1	T224 P226 V227	T224-R252 WeakPolarHBondContact O-CD 3.16Å; T224-R252 PolarHBondContact O-NH1 3.35Å; T224-R252 VanDerWaalsContact O-NH1 3.08Å; P226-R252 WeakPolarHBondContact CA-O 3.48Å; V227-R252 PolarHBondContact N-O 3.32Å
253	P	97.4	Very high	97.7	Very high	52 Å²	52	52.2 Å²	52.2	34%	0.338	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-63.4	139.7	171.2	27.5	-31.1	0	0	0	109.9	Y247 C250	Y247-P253 HydrophobicContact CD2-CB 3.78Å; Y247-P253 HydrophobicContact CE2-CB 3.38Å; Y247-P253 HydrophobicContact CE2-CG 4.42Å; C250-P253 HydrophobicContact CB-CB 4.02Å; C250-P253 HydrophobicContact CB-CG 4.31Å; C250-P253 WeakPolarHBondContact O-CD 3.47Å
254	V	97.8	Very high	97.6	Very high	21 Å²	21	53.1 Å²	53.1	13%	0.127	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-101.7	167.8	160.3	-59.6	0	0	0	0	109.4	P226 V227 L228 Y247 P256 F280	P226-V254 HydrophobicContact CB-CG1 4.05Å; V227-V254 WeakPolarHBondContact O-CG2 3.49Å; V227-V254 PolarHBondContact O-N 3.25Å; L228-V254 HydrophobicContact CB-CG2 3.7Å; L228-V254 HydrophobicContact CD1-CG2 4.15Å; Y247-V254 WeakPolarHBondContact CE2-O 3.21Å; V254-P256 VanDerWaalsContact O-N 3.08Å; V254-F280 HydrophobicContact CB-CE2 4.24Å; V254-F280 HydrophobicContact CG1-CE2 3.98Å; V254-F280 HydrophobicContact CG2-CD2 3.92Å; V254-F280 HydrophobicContact CG2-CE2 3.49Å; V254-F280 VanDerWaalsContact CG2-CE2 3.49Å; V254-F280 HydrophobicContact CG2-CZ 4.16Å
255	E	97.9	Very high	97.3	Very high	134 Å²	134	56.4 Å²	56.4	63%	0.626	28%	0.275	S	S	*	.	P	Polyproline II helix	trans	-48.7	119.2	-178.7	-171.9	61	-157.7	0	0	111.2	L228 R276	L228-E255 WeakPolarHBondContact CD1-O 3.41Å; E255-R276 PolarHBondContact O-NE 3.11Å; E255-R276 PolarHBondContact O-NH2 2.85Å
256	P	98.6	Very high	97	Very high	12 Å²	12	58 Å²	58	8%	0.078	28%	0.281	C	S	.	.			trans	-74.8	174	-175.1	31.9	-34	0	0	0	111	V229 Y247 V254 W258	V229-P256 CarbonylContact O-C 3.56Å; V229-P256 WeakPolarHBondContact O-CA 3.37Å; Y247-P256 HydrophobicContact CD2-CB 3.92Å; Y247-P256 HydrophobicContact CD2-CG 4.12Å; Y247-P256 HydrophobicContact CE1-CG 4.32Å; Y247-P256 HydrophobicContact CE2-CB 3.88Å; Y247-P256 HydrophobicContact CE2-CG 3.71Å; V254-P256 VanDerWaalsContact O-N 3.08Å; P256-W258 HydrophobicContact CB-CD2 4.1Å; P256-W258 HydrophobicContact CB-CE3 4.29Å; P256-W258 HydrophobicContact CB-CH2 3.57Å; P256-W258 HydrophobicContact CB-CZ2 3.28Å; P256-W258 HydrophobicContact CB-CZ3 4.06Å; P256-W258 HydrophobicContact CG-CD2 4.31Å; P256-W258 VanDerWaalsContact CG-CE2 3.45Å; P256-W258 HydrophobicContact CG-CH2 4.21Å; P256-W258 HydrophobicContact CG-CZ2 3.4Å
257	L	98.8	Very high	96.9	Very high	19 Å²	19	58 Å²	58	10%	0.099	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	107.2	167.2	-177.1	69.2	0	0	0	110.2	V229 I230 H231 V259 Q272 R276	V229-L257 PolarHBondContact O-N 3.33Å; I230-L257 CarbonylContact C-O 3.53Å; I230-L257 VanDerWaalsContact CA-O 3.31Å; I230-L257 WeakPolarHBondContact CA-O 3.19Å; I230-L257 HydrophobicContact CB-CB 4.46Å; I230-L257 HydrophobicContact CG1-CB 4.15Å; I230-L257 HydrophobicContact CG2-CB 4.2Å; I230-L257 HydrophobicContact CG2-CD2 3.94Å; I230-L257 HydrophobicContact CG2-CG 4.36Å; H231-L257 PolarHBondContact N-O 3.42Å; L257-V259 HydrophobicContact CD2-CG2 3.83Å; L257-V259 HydrophobicContact CG-CG2 3.8Å; L257-Q272 HydrophobicContact CD1-CB 4.28Å; L257-Q272 HydrophobicContact CD1-CG 4.18Å; L257-Q272 HydrophobicContact CD2-CG 4.32Å; L257-R276 HydrophobicContact CB-CB 4.38Å; L257-R276 HydrophobicContact CB-CG 3.95Å; L257-R276 HydrophobicContact CD1-CB 4.23Å; L257-R276 HydrophobicContact CD2-CB 3.8Å; L257-R276 HydrophobicContact CD2-CG 4.26Å; L257-R276 HydrophobicContact CG-CB 4.37Å; L257-R276 HydrophobicContact CG-CG 4.48Å
258	W	98.7	Very high	96.8	Very high	71 Å²	71	57.6 Å²	57.6	27%	0.269	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	114.5	168.4	-45.1	136.6	0	0	0	107.9	V229 H231 T233 F240 L244 Y247 P256 E260 Q272	V229-W258 HydrophobicContact CB-CH2 3.95Å; V229-W258 HydrophobicContact CB-CZ3 4.12Å; V229-W258 HydrophobicContact CG1-CH2 3.83Å; V229-W258 HydrophobicContact CG1-CZ3 3.71Å; H231-W258 HydrophobicContact CB-CE3 3.89Å; H231-W258 HydrophobicContact CB-CZ3 3.85Å; H231-W258 CarbonylContact O-C 3.56Å; H231-W258 WeakPolarHBondContact O-CA 3.41Å; T233-W258 HydrophobicContact CG2-CB 4.26Å; F240-W258 HydrophobicContact CD2-CE3 4.49Å; F240-W258 HydrophobicContact CE2-CB 4.03Å; F240-W258 AromaticContact CE2-CD2 3.59Å; F240-W258 HydrophobicContact CE2-CD2 3.59Å; F240-W258 AromaticContact CE2-CE3 3.54Å; F240-W258 HydrophobicContact CE2-CE3 3.54Å; F240-W258 AromaticContact CE2-CG 3.81Å; F240-W258 HydrophobicContact CE2-CG 3.81Å; F240-W258 HydrophobicContact CE2-CZ3 4.18Å; F240-W258 HydrophobicContact CZ-CB 4.4Å; F240-W258 AromaticContact CZ-CD2 3.88Å; F240-W258 HydrophobicContact CZ-CD2 3.88Å; F240-W258 HydrophobicContact CZ-CE3 4.25Å; F240-W258 AromaticContact CZ-CG 3.94Å; F240-W258 HydrophobicContact CZ-CG 3.94Å; L244-W258 HydrophobicContact CD1-CZ2 4.41Å; Y247-W258 HydrophobicContact CD1-CZ2 4.28Å; Y247-W258 HydrophobicContact CG-CH2 4.25Å; Y247-W258 HydrophobicContact CG-CZ2 4.1Å; P256-W258 HydrophobicContact CB-CD2 4.1Å; P256-W258 HydrophobicContact CB-CE3 4.29Å; P256-W258 HydrophobicContact CB-CH2 3.57Å; P256-W258 HydrophobicContact CB-CZ2 3.28Å; P256-W258 HydrophobicContact CB-CZ3 4.06Å; P256-W258 HydrophobicContact CG-CD2 4.31Å; P256-W258 VanDerWaalsContact CG-CE2 3.45Å; P256-W258 HydrophobicContact CG-CH2 4.21Å; P256-W258 HydrophobicContact CG-CZ2 3.4Å; W258-E260 PolarHBondContact O-N 2.63Å; W258-Q272 PolarHBondContact O-NE2 3.25Å
259	V	98.4	Very high	96.7	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	101.1	-178.2	-171.5	0	0	0	0	108.9	H231 G232 T233 L257 G261 A262 V267 Y270 Q272	H231-V259 PolarHBondContact O-N 3.39Å; G232-V259 WeakPolarHBondContact CA-O 3.26Å; T233-V259 PolarHBondContact N-O 3.02Å; L257-V259 HydrophobicContact CD2-CG2 3.83Å; L257-V259 HydrophobicContact CG-CG2 3.8Å; V259-G261 PolarHBondContact O-N 3.11Å; V259-A262 HydrophobicContact CB-CB 3.76Å; V259-A262 HydrophobicContact CG1-CB 3.45Å; V259-A262 VanDerWaalsContact CG1-CB 3.45Å; V259-A262 PolarHBondContact O-N 2.89Å; V259-V267 HydrophobicContact CG2-CG1 3.93Å; V259-Y270 HydrophobicContact CG1-CD1 3.61Å; V259-Y270 HydrophobicContact CG1-CD2 3.91Å; V259-Y270 HydrophobicContact CG1-CE1 4.19Å; V259-Y270 HydrophobicContact CG1-CE2 4.49Å; V259-Y270 HydrophobicContact CG1-CG 3.46Å; V259-Y270 VanDerWaalsContact CG1-CG 3.46Å; V259-Q272 HydrophobicContact CG1-CG 4.14Å; V259-Q272 HydrophobicContact CG2-CG 4.14Å
260	E	98.2	Very high	96.6	Very high	139 Å²	139	56.5 Å²	56.5	65%	0.65	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	126	-177	-166	62.2	-119.6	0	0	111	T233 W258 A262	T233-E260 WeakPolarHBondContact OG1-CA 3.35Å; T233-E260 PolarHBondContact OG1-OE1 2.98Å; W258-E260 PolarHBondContact O-N 2.63Å; E260-A262 PolarHBondContact O-N 2.91Å
261	G	97.4	Very high	96.7	Very high	23 Å²	23	58.3 Å²	58.3	24%	0.237	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.3	2	179.5	0	0	0	0	0	115.4	T233 V259 Y270	T233-G261 PolarHBondContact OG1-N 2.78Å; V259-G261 PolarHBondContact O-N 3.11Å; G261-Y270 PolarHBondContact O-OH 3.42Å; G261-Y270 VanDerWaalsContact O-OH 3.06Å
262	A	98	Very high	96.8	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.292	C	S	.	.			trans	-84	142.4	173.1	0	0	0	0	0	111	G232 T233 E234 V259 E260 D266 V267 Y270	G232-A262 CarbonylContact C-O 3.56Å; G232-A262 VanDerWaalsContact C-O 3.27Å; G232-A262 WeakPolarHBondContact CA-O 3.34Å; T233-A262 PolarHBondContact N-O 2.74Å; E234-A262 CarbonylContact C-O 3.22Å; E234-A262 WeakPolarHBondContact CA-O 3.44Å; E234-A262 PolarHBondContact N-O 2.96Å; V259-A262 HydrophobicContact CB-CB 3.76Å; V259-A262 HydrophobicContact CG1-CB 3.45Å; V259-A262 VanDerWaalsContact CG1-CB 3.45Å; V259-A262 PolarHBondContact O-N 2.89Å; E260-A262 PolarHBondContact O-N 2.91Å; A262-D266 WeakPolarHBondContact CA-OD1 3.37Å; A262-D266 WeakPolarHBondContact CB-OD1 3.36Å; A262-V267 HydrophobicContact CB-CG2 4.07Å; A262-Y270 HydrophobicContact CB-CD2 3.91Å; A262-Y270 HydrophobicContact CB-CE1 4.46Å; A262-Y270 HydrophobicContact CB-CE2 3.53Å
263	G	94.7	Very high	96.9	Very high	13 Å²	13	51.3 Å²	51.3	13%	0.134	28%	0.275	C	S	.	.			trans	-93	-160.9	170.1	0	0	0	0	0	113	E234 N265 D266 V267	E234-G263 WeakPolarHBondContact O-CA 3.31Å; G263-N265 PolarHBondContact O-N 2.7Å; G263-D266 WeakPolarHBondContact CA-OD1 3.45Å; G263-D266 PolarHBondContact N-OD1 3.04Å; G263-V267 WeakPolarHBondContact O-CG2 3.23Å
264	H	94.9	Very high	96.9	Very high	18 Å²	18	50.7 Å²	50.7	8%	0.083	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-33.3	-174.9	-161.2	64.6	0	0	0	114.7	S170 D235 V237 I238	S170-H264 VanDerWaalsContact CB-NE2 3.3Å; S170-H264 WeakPolarHBondContact CB-NE2 3.14Å; S170-H264 PolarHBondContact OG-CE1 2.83Å; S170-H264 PolarHBondContact OG-NE2 2.98Å; D235-H264 VanDerWaalsContact CG-ND1 3.3Å; D235-H264 WeakPolarHBondContact OD1-CB 3.24Å; D235-H264 IonicContact OD1-CG 2.7Å; D235-H264 IonicContact OD1-ND1 3.67Å; D235-H264 PolarHBondContact OD1-ND1 3.46Å; D235-H264 VanDerWaalsContact OD1-ND1 3.1Å; D235-H264 IonicContact OD2-CE1 3.08Å; D235-H264 IonicContact OD2-CG 3.71Å; D235-H264 IonicContact OD2-ND1 3.77Å; D235-H264 PolarHBondContact OD2-ND1 3.05Å; V237-H264 HydrophobicContact CB-CB 3.76Å; V237-H264 HydrophobicContact CG2-CB 3.63Å; I238-H264 VanDerWaalsContact CG1-CE1 3.42Å; I238-H264 WeakPolarHBondContact CG1-CE1 3.43Å
265	N	91.8	Very high	96.9	Very high	129 Å²	129	56.1 Å²	56.1	69%	0.69	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.5	6.6	-164	-59.9	-56.9	0	0	0	113.5	G263	G263-N265 PolarHBondContact O-N 2.7Å
266	D	93.9	Very high	96.9	Very high	52 Å²	52	50.5 Å²	50.5	28%	0.278	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126	0.4	-175.9	60.1	13.5	0	0	0	113.7	A262 G263 E268 L269 Y270	A262-D266 WeakPolarHBondContact CA-OD1 3.37Å; A262-D266 WeakPolarHBondContact CB-OD1 3.36Å; G263-D266 WeakPolarHBondContact CA-OD1 3.45Å; G263-D266 PolarHBondContact N-OD1 3.04Å; D266-E268 PolarHBondContact O-N 3.47Å; D266-E268 VanDerWaalsContact O-N 3.14Å; D266-L269 HydrophobicContact CB-CD1 3.9Å; D266-L269 HydrophobicContact CB-CG 4.3Å; D266-L269 WeakPolarHBondContact O-CA 3.45Å; D266-L269 WeakPolarHBondContact O-CB 2.9Å; D266-L269 WeakPolarHBondContact O-CG 3.33Å; D266-L269 PolarHBondContact O-N 3.39Å; D266-Y270 VanDerWaalsContact O-CD2 3.26Å; D266-Y270 WeakPolarHBondContact O-CD2 3.42Å
267	V	96.1	Very high	96.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-49.7	-42.6	178.2	171.7	0	0	0	0	111.9	H191 I230 V259 A262 G263 L269 Y270 Y273	H191-V267 VanDerWaalsContact NE2-CB 3.34Å; H191-V267 WeakPolarHBondContact NE2-CB 3.43Å; H191-V267 VanDerWaalsContact NE2-CG1 3.27Å; H191-V267 WeakPolarHBondContact NE2-CG1 3.47Å; I230-V267 HydrophobicContact CG2-CG1 3.8Å; V259-V267 HydrophobicContact CG2-CG1 3.93Å; A262-V267 HydrophobicContact CB-CG2 4.07Å; G263-V267 WeakPolarHBondContact O-CG2 3.23Å; V267-L269 PolarHBondContact O-N 3.48Å; V267-Y270 PolarHBondContact O-N 3.48Å; V267-Y273 HydrophobicContact CG1-CD2 3.91Å
268	E	95.7	Very high	96.9	Very high	47 Å²	47	53.4 Å²	53.4	22%	0.22	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-69.5	-14.7	-178.7	-55.2	94.9	152	0	0	113.9	F110 Q169 H191 D266 Y270 Y273	F110-E268 HydrophobicContact CE2-CB 4.33Å; F110-E268 HydrophobicContact CE2-CG 3.95Å; F110-E268 HydrophobicContact CZ-CG 4.23Å; Q169-E268 PolarHBondContact NE2-OE1 2.94Å; H191-E268 VanDerWaalsContact CE1-CD 3.41Å; H191-E268 IonicContact CE1-OE1 2.8Å; H191-E268 PolarHBondContact CE1-OE1 2.67Å; H191-E268 IonicContact CE1-OE2 2.9Å; H191-E268 IonicContact ND1-OE1 3.15Å; D266-E268 PolarHBondContact O-N 3.47Å; D266-E268 VanDerWaalsContact O-N 3.14Å; E268-Y270 VanDerWaalsContact C-N 3.3Å; E268-Y273 HydrophobicContact CB-CD1 4.15Å; E268-Y273 HydrophobicContact CB-CE1 4.14Å; E268-Y273 HydrophobicContact CG-CD1 4.24Å; E268-Y273 HydrophobicContact CG-CE1 3.84Å; E268-Y273 HydrophobicContact CG-CE2 4.14Å
269	L	95.4	Very high	96.9	Very high	147 Å²	147	55 Å²	55	77%	0.77	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-77.7	-18.4	175.8	-52.9	-176	0	0	0	112	D266 V267	D266-L269 HydrophobicContact CB-CD1 3.9Å; D266-L269 HydrophobicContact CB-CG 4.3Å; D266-L269 WeakPolarHBondContact O-CA 3.45Å; D266-L269 WeakPolarHBondContact O-CB 2.9Å; D266-L269 WeakPolarHBondContact O-CG 3.33Å; D266-L269 PolarHBondContact O-N 3.39Å; V267-L269 PolarHBondContact O-N 3.48Å
270	Y	97.6	Very high	96.8	Very high	76 Å²	76	55 Å²	55	30%	0.298	29%	0.287	S	S	.	.	S	Bend	trans	-85.6	127.4	178.8	-67.6	-111.1	0	0	0	110.2	V259 G261 A262 D266 V267 E268 Q272 Y273	V259-Y270 HydrophobicContact CG1-CD1 3.61Å; V259-Y270 HydrophobicContact CG1-CD2 3.91Å; V259-Y270 HydrophobicContact CG1-CE1 4.19Å; V259-Y270 HydrophobicContact CG1-CE2 4.49Å; V259-Y270 HydrophobicContact CG1-CG 3.46Å; V259-Y270 VanDerWaalsContact CG1-CG 3.46Å; G261-Y270 PolarHBondContact O-OH 3.42Å; G261-Y270 VanDerWaalsContact O-OH 3.06Å; A262-Y270 HydrophobicContact CB-CD2 3.91Å; A262-Y270 HydrophobicContact CB-CE1 4.46Å; A262-Y270 HydrophobicContact CB-CE2 3.53Å; D266-Y270 VanDerWaalsContact O-CD2 3.26Å; D266-Y270 WeakPolarHBondContact O-CD2 3.42Å; V267-Y270 PolarHBondContact O-N 3.48Å; E268-Y270 VanDerWaalsContact C-N 3.3Å; Y270-Q272 PolarHBondContact O-N 3.43Å; Y270-Q272 VanDerWaalsContact O-N 3.07Å; Y270-Y273 VanDerWaalsContact O-CB 3.28Å; Y270-Y273 WeakPolarHBondContact O-CB 3.29Å; Y270-Y273 PolarHBondContact O-N 3.27Å
271	G	96.8	Very high	96.8	Very high	52 Å²	52	49 Å²	49	54%	0.536	26%	0.259	S	S	.	.	H	α-helix	trans	-54.7	-33.3	-176.7	0	0	0	0	0	114.3	Y273 L274 E275	G271-Y273 PolarHBondContact O-N 3.27Å; G271-L274 PolarHBondContact O-N 3.23Å; G271-L274 VanDerWaalsContact O-N 3.13Å; G271-E275 WeakPolarHBondContact O-CG 3.13Å; G271-E275 PolarHBondContact O-N 3.03Å; G271-E275 VanDerWaalsContact O-N 3.16Å
272	Q	97.6	Very high	96.6	Very high	67 Å²	67	50.5 Å²	50.5	31%	0.313	27%	0.27	S	S	.	.	H	α-helix	trans	-59	-28.7	177.9	66.4	-174.7	78.8	0	0	113.8	L257 W258 V259 Y270 E275 R276	L257-Q272 HydrophobicContact CD1-CB 4.28Å; L257-Q272 HydrophobicContact CD1-CG 4.18Å; L257-Q272 HydrophobicContact CD2-CG 4.32Å; W258-Q272 PolarHBondContact O-NE2 3.25Å; V259-Q272 HydrophobicContact CG1-CG 4.14Å; V259-Q272 HydrophobicContact CG2-CG 4.14Å; Y270-Q272 PolarHBondContact O-N 3.43Å; Y270-Q272 VanDerWaalsContact O-N 3.07Å; Q272-E275 PolarHBondContact O-N 3.42Å; Q272-R276 WeakPolarHBondContact O-CB 3.3Å; Q272-R276 PolarHBondContact O-N 3.44Å
273	Y	98.4	Very high	96.3	Very high	6 Å²	6	56.2 Å²	56.2	2%	0.024	30%	0.296	C	S	.	.	H	α-helix	trans	-57.5	-50.9	174.9	169.4	-100.1	0	0	0	110.8	L114 Y167 H191 I230 V267 E268 Y270 G271 L277	L114-Y273 HydrophobicContact CD1-CE1 4.1Å; Y167-Y273 WeakPolarHBondContact OH-CE2 3.34Å; Y167-Y273 PolarHBondContact OH-OH 2.79Å; H191-Y273 AromaticContact CE1-CE2 3.87Å; H191-Y273 AromaticContact ND1-CE2 3.98Å; I230-Y273 HydrophobicContact CD1-CD2 4.14Å; I230-Y273 HydrophobicContact CD1-CE2 4.05Å; I230-Y273 HydrophobicContact CG2-CD2 4.2Å; V267-Y273 HydrophobicContact CG1-CD2 3.91Å; E268-Y273 HydrophobicContact CB-CD1 4.15Å; E268-Y273 HydrophobicContact CB-CE1 4.14Å; E268-Y273 HydrophobicContact CG-CD1 4.24Å; E268-Y273 HydrophobicContact CG-CE1 3.84Å; E268-Y273 HydrophobicContact CG-CE2 4.14Å; Y270-Y273 VanDerWaalsContact O-CB 3.28Å; Y270-Y273 WeakPolarHBondContact O-CB 3.29Å; Y270-Y273 PolarHBondContact O-N 3.27Å; G271-Y273 PolarHBondContact O-N 3.27Å; Y273-L277 HydrophobicContact CD1-CD1 4.18Å; Y273-L277 HydrophobicContact CD2-CD1 4.26Å; Y273-L277 HydrophobicContact CE1-CD1 3.63Å; Y273-L277 HydrophobicContact CE2-CD1 3.75Å; Y273-L277 HydrophobicContact CG-CD1 4.46Å; Y273-L277 WeakPolarHBondContact O-CG 3.34Å; Y273-L277 PolarHBondContact O-N 2.78Å
274	L	98.1	Very high	96.2	Very high	39 Å²	39	57.4 Å²	57.4	20%	0.204	30%	0.298	C	S	.	.	H	α-helix	trans	-71.6	-39.1	-178.6	-177.7	64.6	0	0	0	111.8	R117 I118 G271 L277 K278	R117-L274 HydrophobicContact CB-CD1 3.68Å; R117-L274 HydrophobicContact CB-CD2 4.02Å; R117-L274 HydrophobicContact CB-CG 4.44Å; R117-L274 HydrophobicContact CG-CD2 4.33Å; I118-L274 HydrophobicContact CG2-CD1 3.53Å; G271-L274 PolarHBondContact O-N 3.23Å; G271-L274 VanDerWaalsContact O-N 3.13Å; L274-L277 PolarHBondContact O-N 2.74Å; L274-K278 HydrophobicContact CG-CD 4.26Å; L274-K278 WeakPolarHBondContact O-CB 3.27Å; L274-K278 WeakPolarHBondContact O-CG 3.36Å; L274-K278 PolarHBondContact O-N 3.38Å
275	E	98.3	Very high	96	Very high	135 Å²	135	56.8 Å²	56.8	63%	0.631	30%	0.295	S	S	*	.	H	α-helix	trans	-61.6	-47.7	178.6	-69.7	173.9	172	0	0	111.5	G271 Q272 L277 K278 Q279	G271-E275 WeakPolarHBondContact O-CG 3.13Å; G271-E275 PolarHBondContact O-N 3.03Å; G271-E275 VanDerWaalsContact O-N 3.16Å; Q272-E275 PolarHBondContact O-N 3.42Å; E275-L277 PolarHBondContact O-N 3.2Å; E275-K278 PolarHBondContact O-N 2.9Å; E275-Q279 PolarHBondContact O-N 3.22Å
276	R	98.4	Very high	95.6	Very high	15 Å²	15	53.3 Å²	53.3	6%	0.057	28%	0.279	C	S	.	.	H	α-helix	trans	-60.2	-46.2	177	179.4	74.3	-166.9	91	-6.9	111.6	L228 E255 L257 Q272 K278 Q279 F280 E284	L228-R276 HydrophobicContact CD1-CG 4.23Å; L228-R276 HydrophobicContact CD2-CG 4.21Å; E255-R276 PolarHBondContact O-NE 3.11Å; E255-R276 PolarHBondContact O-NH2 2.85Å; L257-R276 HydrophobicContact CB-CB 4.38Å; L257-R276 HydrophobicContact CB-CG 3.95Å; L257-R276 HydrophobicContact CD1-CB 4.23Å; L257-R276 HydrophobicContact CD2-CB 3.8Å; L257-R276 HydrophobicContact CD2-CG 4.26Å; L257-R276 HydrophobicContact CG-CB 4.37Å; L257-R276 HydrophobicContact CG-CG 4.48Å; Q272-R276 WeakPolarHBondContact O-CB 3.3Å; Q272-R276 PolarHBondContact O-N 3.44Å; R276-K278 VanDerWaalsContact C-N 3.35Å; R276-K278 PolarHBondContact O-N 3.44Å; R276-Q279 PolarHBondContact O-N 3.37Å; R276-F280 WeakPolarHBondContact O-CB 3.3Å; R276-F280 PolarHBondContact O-N 3.42Å; R276-E284 IonicContact CZ-OE1 3.14Å; R276-E284 IonicContact CZ-OE2 3.57Å; R276-E284 IonicContact NH1-OE1 3.93Å; R276-E284 PolarHBondContact NH1-OE1 2.78Å; R276-E284 IonicContact NH1-OE2 3.93Å; R276-E284 IonicContact NH2-OE1 3.78Å; R276-E284 PolarHBondContact NH2-OE1 3.2Å; R276-E284 IonicContact NH2-OE2 3.31Å; R276-E284 PolarHBondContact NH2-OE2 3.06Å
277	L	98.5	Very high	94.9	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	29%	0.294	C	S	.	.	H	α-helix	trans	-63.6	-41	-179.8	-75	174.5	0	0	0	111.8	L114 I118 Y167 V189 L228 I230 Y273 L274 E275 F280 V281	L114-L277 HydrophobicContact CD1-CD1 3.94Å; I118-L277 HydrophobicContact CG2-CB 4Å; Y167-L277 HydrophobicContact CE2-CD2 4.32Å; V189-L277 HydrophobicContact CG1-CD2 4.27Å; V189-L277 HydrophobicContact CG2-CD2 4.4Å; L228-L277 HydrophobicContact CD2-CD2 3.99Å; I230-L277 HydrophobicContact CD1-CD2 3.9Å; I230-L277 HydrophobicContact CD1-CG 4.15Å; Y273-L277 HydrophobicContact CD1-CD1 4.18Å; Y273-L277 HydrophobicContact CD2-CD1 4.26Å; Y273-L277 HydrophobicContact CE1-CD1 3.63Å; Y273-L277 HydrophobicContact CE2-CD1 3.75Å; Y273-L277 HydrophobicContact CG-CD1 4.46Å; Y273-L277 WeakPolarHBondContact O-CG 3.34Å; Y273-L277 PolarHBondContact O-N 2.78Å; L274-L277 PolarHBondContact O-N 2.74Å; E275-L277 PolarHBondContact O-N 3.2Å; L277-F280 PolarHBondContact O-N 3.2Å; L277-V281 WeakPolarHBondContact O-CB 3.27Å; L277-V281 VanDerWaalsContact O-CG2 3.28Å; L277-V281 WeakPolarHBondContact O-CG2 3.19Å; L277-V281 PolarHBondContact O-N 3.43Å
278	K	97.8	Very high	93.8	Very high	90 Å²	90	60.2 Å²	60.2	39%	0.391	32%	0.315	S	S	.	.	H	α-helix	trans	-59.6	-47.3	173.1	-76.9	172.5	174.1	173.9	0	111.3	R117 I118 L274 E275 R276 F280 V281 A282	R117-K278 WeakPolarHBondContact O-CE 3.35Å; I118-K278 HydrophobicContact CG2-CG 4.15Å; L274-K278 HydrophobicContact CG-CD 4.26Å; L274-K278 WeakPolarHBondContact O-CB 3.27Å; L274-K278 WeakPolarHBondContact O-CG 3.36Å; L274-K278 PolarHBondContact O-N 3.38Å; E275-K278 PolarHBondContact O-N 2.9Å; R276-K278 VanDerWaalsContact C-N 3.35Å; R276-K278 PolarHBondContact O-N 3.44Å; K278-F280 VanDerWaalsContact C-N 3.33Å; K278-F280 PolarHBondContact O-N 3.4Å; K278-V281 PolarHBondContact O-N 3.5Å; K278-A282 WeakPolarHBondContact O-CB 3.46Å; K278-A282 PolarHBondContact O-N 3.33Å
279	Q	97.9	Very high	92.2	Very high	105 Å²	105	61.2 Å²	61.2	49%	0.491	33%	0.327	S	S	.	.	H	α-helix	trans	-59.9	-45.6	178.3	-177.3	-177.9	-13	0	0	111.5	E275 R276 H283 E284	E275-Q279 PolarHBondContact O-N 3.22Å; R276-Q279 PolarHBondContact O-N 3.37Å; Q279-H283 WeakPolarHBondContact O-CB 3.47Å; Q279-H283 PolarHBondContact O-N 3.26Å; Q279-H283 VanDerWaalsContact O-N 3.1Å; Q279-E284 PolarHBondContact O-N 2.76Å
280	F	97.9	Very high	89.9	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	34%	0.34	C	S	.	.	I	π-helix	trans	-59.3	-53.6	179	-174.5	-131.6	0	0	0	111.5	A187 V189 L228 V254 R276 L277 K278 E284 L285	A187-F280 HydrophobicContact CB-CE1 3.74Å; A187-F280 HydrophobicContact CB-CZ 3.54Å; V189-F280 HydrophobicContact CG2-CD1 4.19Å; V189-F280 HydrophobicContact CG2-CE1 3.83Å; L228-F280 HydrophobicContact CB-CD1 4.21Å; L228-F280 HydrophobicContact CB-CE1 3.91Å; L228-F280 HydrophobicContact CB-CE2 4.34Å; L228-F280 HydrophobicContact CB-CZ 3.96Å; L228-F280 HydrophobicContact CD2-CB 4.06Å; L228-F280 HydrophobicContact CD2-CD1 3.72Å; L228-F280 HydrophobicContact CD2-CE1 4.26Å; L228-F280 HydrophobicContact CD2-CG 3.88Å; V254-F280 HydrophobicContact CB-CE2 4.24Å; V254-F280 HydrophobicContact CG1-CE2 3.98Å; V254-F280 HydrophobicContact CG2-CD2 3.92Å; V254-F280 HydrophobicContact CG2-CE2 3.49Å; V254-F280 VanDerWaalsContact CG2-CE2 3.49Å; V254-F280 HydrophobicContact CG2-CZ 4.16Å; R276-F280 WeakPolarHBondContact O-CB 3.3Å; R276-F280 PolarHBondContact O-N 3.42Å; L277-F280 PolarHBondContact O-N 3.2Å; K278-F280 VanDerWaalsContact C-N 3.33Å; K278-F280 PolarHBondContact O-N 3.4Å; F280-E284 HydrophobicContact CD2-CB 4.08Å; F280-E284 WeakPolarHBondContact CD2-OE2 3.36Å; F280-E284 PolarHBondContact O-N 3.12Å; F280-L285 HydrophobicContact CD1-CD1 4.4Å; F280-L285 HydrophobicContact CD2-CD2 4.37Å; F280-L285 HydrophobicContact CD2-CG 4.37Å; F280-L285 HydrophobicContact CE1-CD1 4.15Å; F280-L285 HydrophobicContact CE1-CD2 4.32Å; F280-L285 HydrophobicContact CE1-CG 4.39Å; F280-L285 HydrophobicContact CE2-CD2 3.69Å; F280-L285 HydrophobicContact CE2-CG 4.15Å; F280-L285 HydrophobicContact CZ-CD1 4.36Å; F280-L285 HydrophobicContact CZ-CD2 3.7Å; F280-L285 HydrophobicContact CZ-CG 4.19Å; F280-L285 WeakPolarHBondContact O-CG 3.14Å; F280-L285 PolarHBondContact O-N 3.1Å
281	V	96.9	Very high	89.5	Confident	11 Å²	11	61.6 Å²	61.6	7%	0.067	34%	0.342	C	S	.	.	I	π-helix	trans	-70.9	-46.1	-174.4	174	0	0	0	0	112.2	F92 I118 C120 I165 L277 K278	F92-V281 HydrophobicContact CD2-CG1 3.88Å; F92-V281 HydrophobicContact CE2-CG1 4.47Å; I118-V281 HydrophobicContact CD1-CG2 4.47Å; C120-V281 VanDerWaalsContact SG-CG1 3.56Å; I165-V281 HydrophobicContact CD1-CG2 3.87Å; L277-V281 WeakPolarHBondContact O-CB 3.27Å; L277-V281 VanDerWaalsContact O-CG2 3.28Å; L277-V281 WeakPolarHBondContact O-CG2 3.19Å; L277-V281 PolarHBondContact O-N 3.43Å; K278-V281 PolarHBondContact O-N 3.5Å
282	A	93.6	Very high	89.1	Confident	56 Å²	56	62.1 Å²	62.1	46%	0.463	33%	0.332	S	S	.	.	I	π-helix	trans	-83.7	-24.4	-170.2	0	0	0	0	0	113.7	K278 V286	K278-A282 WeakPolarHBondContact O-CB 3.46Å; K278-A282 PolarHBondContact O-N 3.33Å; A282-V286 WeakPolarHBondContact O-CG2 3.38Å
283	H	90.9	Very high	88.7	Confident	119 Å²	119	61.8 Å²	61.8	55%	0.551	33%	0.333	S	S	*	.	I	π-helix	trans	-121.4	-56.5	-173.6	-56.1	-55.9	0	0	0	112.2	Q279 V286 N287	Q279-H283 WeakPolarHBondContact O-CB 3.47Å; Q279-H283 PolarHBondContact O-N 3.26Å; Q279-H283 VanDerWaalsContact O-N 3.1Å; H283-V286 PolarHBondContact O-N 3.23Å; H283-N287 PolarHBondContact O-N 3.15Å; H283-N287 VanDerWaalsContact O-N 3.15Å; H283-N287 PolarHBondContact O-ND2 3.37Å
284	E	93.3	Very high	88.1	Confident	39 Å²	39	65.1 Å²	65.1	18%	0.182	35%	0.351	C	S	.	.	I	π-helix	trans	-67.1	-48.5	-173	-67.8	167.2	-134.8	0	0	111.9	R276 Q279 F280 V286 N287 L288	R276-E284 IonicContact CZ-OE1 3.14Å; R276-E284 IonicContact CZ-OE2 3.57Å; R276-E284 IonicContact NH1-OE1 3.93Å; R276-E284 PolarHBondContact NH1-OE1 2.78Å; R276-E284 IonicContact NH1-OE2 3.93Å; R276-E284 IonicContact NH2-OE1 3.78Å; R276-E284 PolarHBondContact NH2-OE1 3.2Å; R276-E284 IonicContact NH2-OE2 3.31Å; R276-E284 PolarHBondContact NH2-OE2 3.06Å; Q279-E284 PolarHBondContact O-N 2.76Å; F280-E284 HydrophobicContact CD2-CB 4.08Å; F280-E284 WeakPolarHBondContact CD2-OE2 3.36Å; F280-E284 PolarHBondContact O-N 3.12Å; E284-V286 VanDerWaalsContact C-N 3.32Å; E284-V286 PolarHBondContact O-N 3.33Å; E284-N287 PolarHBondContact O-N 3.46Å; E284-L288 VanDerWaalsContact O-CG 3.27Å; E284-L288 WeakPolarHBondContact O-CG 3.49Å; E284-L288 PolarHBondContact O-N 3.31Å
285	L	91.9	Very high	87.5	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	36%	0.36	C	S	.	.	H	α-helix	trans	-68.4	-30	-179.5	-64.6	-173.5	0	0	0	113.8	F92 I165 A187 F280 L288 S289	F92-L285 HydrophobicContact CE2-CB 4.1Å; F92-L285 HydrophobicContact CE2-CD1 4.46Å; F92-L285 HydrophobicContact CZ-CB 3.87Å; F92-L285 HydrophobicContact CZ-CD1 4.4Å; I165-L285 HydrophobicContact CD1-CD1 3.54Å; I165-L285 HydrophobicContact CG1-CD1 3.92Å; A187-L285 HydrophobicContact CB-CD1 3.89Å; A187-L285 HydrophobicContact CB-CD2 3.7Å; A187-L285 HydrophobicContact CB-CG 4.44Å; F280-L285 HydrophobicContact CD1-CD1 4.4Å; F280-L285 HydrophobicContact CD2-CD2 4.37Å; F280-L285 HydrophobicContact CD2-CG 4.37Å; F280-L285 HydrophobicContact CE1-CD1 4.15Å; F280-L285 HydrophobicContact CE1-CD2 4.32Å; F280-L285 HydrophobicContact CE1-CG 4.39Å; F280-L285 HydrophobicContact CE2-CD2 3.69Å; F280-L285 HydrophobicContact CE2-CG 4.15Å; F280-L285 HydrophobicContact CZ-CD1 4.36Å; F280-L285 HydrophobicContact CZ-CD2 3.7Å; F280-L285 HydrophobicContact CZ-CG 4.19Å; F280-L285 WeakPolarHBondContact O-CG 3.14Å; F280-L285 PolarHBondContact O-N 3.1Å; L285-L288 HydrophobicContact CD2-CD1 4.29Å; L285-S289 PolarHBondContact O-N 3.1Å; L285-S289 PolarHBondContact O-OG 3.16Å
286	V	82.8	Confident	86.7	Confident	57 Å²	57	62.1 Å²	62.1	35%	0.345	34%	0.342	S	S	.	.	H	α-helix	trans	-67.8	-43.9	176.3	179.2	0	0	0	0	110	A282 H283 E284 L288 S289	A282-V286 WeakPolarHBondContact O-CG2 3.38Å; H283-V286 PolarHBondContact O-N 3.23Å; E284-V286 VanDerWaalsContact C-N 3.32Å; E284-V286 PolarHBondContact O-N 3.33Å; V286-L288 VanDerWaalsContact C-N 3.35Å; V286-L288 PolarHBondContact O-N 3.04Å; V286-S289 PolarHBondContact O-N 3.16Å
287	N	78.1	Confident	85.9	Confident	110 Å²	110	65.5 Å²	65.5	59%	0.588	36%	0.363	S	S	*	.	H	α-helix	trans	-71.4	-28.1	179.7	-65.9	-16.6	0	0	0	113.1	H283 E284 S289 T290	H283-N287 PolarHBondContact O-N 3.15Å; H283-N287 VanDerWaalsContact O-N 3.15Å; H283-N287 PolarHBondContact O-ND2 3.37Å; E284-N287 PolarHBondContact O-N 3.46Å; N287-S289 VanDerWaalsContact C-N 3.25Å; N287-S289 PolarHBondContact O-N 2.48Å; N287-T290 PolarHBondContact O-OG1 3.44Å
288	L	74.6	Confident	84.9	Confident	86 Å²	86	70.3 Å²	70.3	45%	0.45	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.7	174.7	-70.3	170.8	0	0	0	113.3	P226 E284 L285 V286	P226-L288 HydrophobicContact CB-CD1 4.1Å; P226-L288 HydrophobicContact CG-CD1 3.72Å; E284-L288 VanDerWaalsContact O-CG 3.27Å; E284-L288 WeakPolarHBondContact O-CG 3.49Å; E284-L288 PolarHBondContact O-N 3.31Å; L285-L288 HydrophobicContact CD2-CD1 4.29Å; V286-L288 VanDerWaalsContact C-N 3.35Å; V286-L288 PolarHBondContact O-N 3.04Å
289	S	60.7	Low	83.9	Confident	68 Å²	68	68.7 Å²	68.7	48%	0.476	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-3.3	179.9	-57.6	0	0	0	0	113.6	R91 L285 V286 N287	R91-S289 PolarHBondContact NH2-OG 3.13Å; L285-S289 PolarHBondContact O-N 3.1Å; L285-S289 PolarHBondContact O-OG 3.16Å; V286-S289 PolarHBondContact O-N 3.16Å; N287-S289 VanDerWaalsContact C-N 3.25Å; N287-S289 PolarHBondContact O-N 2.48Å
290	T	47.8	Very low	82.6	Confident	169 Å²	169	65.4 Å²	65.4	100%	1.037	38%	0.38	S	S	*	.			trans	-105.6	0	176.5	41.7	0	0	0	0	110.9	N287	N287-T290 PolarHBondContact O-OG1 3.44Å

Retrieved 290 of 290 residues in 253.1 ms (Link to these results)

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