A0A087XUJ8_POEFO Loading...

CST complex subunit STN1

Component of the CST complex. The CST complex binds single-stranded DNA with high affinity in a sequence-independent manner, while isolated subunits bind DNA with low affinity by themselves.

AlphaFold DB , UniProt , Accession A0A087XUJ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 374 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.5	Very low	57.3	Low	238 Å²	238	96.3 Å²	96.3	100%	1.172	58%	0.578	S	S	*	*				0	127.6	0	-76.6	173.6	-168.4	0	0	107	A3	M1-A3 PolarHBondContact O-N 2.72Å
2	Q	38.9	Very low	59.5	Low	190 Å²	190	91.1 Å²	91.1	89%	0.888	55%	0.549	S	S	*	.	P	Polyproline II helix	trans	-71.5	123.5	177.9	-148.7	162.5	9.3	0	0	107.2	A4	Q2-A4 PolarHBondContact O-N 3.37Å
3	A	50.1	Low	61.7	Low	50 Å²	50	87.7 Å²	87.7	41%	0.413	53%	0.53	S	S	.	.	P	Polyproline II helix	trans	-63.1	123.8	173.5	0	0	0	0	0	107.7	M1 A5	M1-A3 PolarHBondContact O-N 2.72Å; A3-A5 PolarHBondContact O-N 2.88Å
4	A	52.9	Low	63.7	Low	75 Å²	75	85 Å²	85	62%	0.62	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-61.5	131.7	177.1	0	0	0	0	0	108.8	Q2 T38	Q2-A4 PolarHBondContact O-N 3.37Å; A4-T38 WeakPolarHBondContact O-CG2 3.48Å; A4-T38 PolarHBondContact O-OG1 3.39Å
5	A	54.7	Low	65.3	Low	89 Å²	89	91.2 Å²	91.2	74%	0.736	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-64.2	136.2	170.6	0	0	0	0	0	108.5	A3	A3-A5 PolarHBondContact O-N 2.88Å
6	M	60.4	Low	66.7	Low	32 Å²	32	89.9 Å²	89.9	16%	0.158	53%	0.53	C	S	.	.	P	Polyproline II helix	trans	-71.6	140.2	178.6	-171.8	166.7	176.7	0	0	106.9	P8 D10 E11 T38 F48 L51	M6-P8 WeakPolarHBondContact O-CD 3.33Å; M6-D10 VanDerWaalsContact CE-C 3.41Å; M6-D10 HydrophobicContact CE-CB 3.76Å; M6-D10 WeakPolarHBondContact CE-O 3.3Å; M6-E11 HydrophobicContact CE-CB 4.32Å; M6-E11 HydrophobicContact SD-CB 4.3Å; M6-E11 HydrophobicContact SD-CG 4.43Å; M6-T38 HydrophobicContact CB-CG2 3.73Å; M6-T38 VanDerWaalsContact N-CG2 3.33Å; M6-F48 HydrophobicContact SD-CB 4.25Å; M6-F48 HydrophobicContact SD-CD2 4.24Å; M6-F48 HydrophobicContact SD-CG 4.28Å; M6-L51 HydrophobicContact CE-CD2 3.17Å
7	D	61.1	Low	68.1	Low	96 Å²	96	85.3 Å²	85.3	51%	0.513	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-61.7	124.1	172.5	-166.4	-34.5	0	0	0	107.5	A9 D10	D7-A9 PolarHBondContact O-N 3.1Å; D7-A9 PolarHBondContact OD1-N 3.25Å; D7-A9 VanDerWaalsContact OD1-N 3.1Å; D7-D10 PolarHBondContact O-N 3.32Å
8	P	57.8	Low	69.3	Low	94 Å²	94	82.9 Å²	82.9	61%	0.61	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-19	178.5	17.4	-29.9	0	0	0	113.7	M6 D10 V41	M6-P8 WeakPolarHBondContact O-CD 3.33Å; P8-D10 VanDerWaalsContact C-N 3.34Å; P8-V41 HydrophobicContact CB-CG2 4.29Å
9	A	59.4	Low	70.3	Confident	75 Å²	75	83.4 Å²	83.4	62%	0.62	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-26	173.7	0	0	0	0	0	114	D7	D7-A9 PolarHBondContact O-N 3.1Å; D7-A9 PolarHBondContact OD1-N 3.25Å; D7-A9 VanDerWaalsContact OD1-N 3.1Å
10	D	73.2	Confident	71.4	Confident	107 Å²	107	79.7 Å²	79.7	57%	0.572	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-13.5	-175.9	-66.7	-30	0	0	0	112.7	M6 D7 P8 L51	M6-D10 VanDerWaalsContact CE-C 3.41Å; M6-D10 HydrophobicContact CE-CB 3.76Å; M6-D10 WeakPolarHBondContact CE-O 3.3Å; D7-D10 PolarHBondContact O-N 3.32Å; P8-D10 VanDerWaalsContact C-N 3.34Å; D10-L51 WeakPolarHBondContact O-CD2 3.38Å
11	E	83.1	Confident	72.3	Confident	13 Å²	13	80.5 Å²	80.5	6%	0.061	48%	0.481	C	S	.	.	S	Bend	trans	-76.6	125.6	-176.6	-166.1	-178.7	131.8	0	0	111.4	M6 W17 S40 V41 Q42 F48	M6-E11 HydrophobicContact CE-CB 4.32Å; M6-E11 HydrophobicContact SD-CB 4.3Å; M6-E11 HydrophobicContact SD-CG 4.43Å; E11-W17 WeakPolarHBondContact OE1-CZ2 3.31Å; E11-S40 WeakPolarHBondContact OE1-CB 3.42Å; E11-S40 PolarHBondContact OE1-OG 3.19Å; E11-S40 WeakPolarHBondContact OE2-CA 3.21Å; E11-V41 WeakPolarHBondContact OE2-CG2 3.48Å; E11-V41 PolarHBondContact OE2-N 3.49Å; E11-Q42 WeakPolarHBondContact OE1-CG 3.34Å; E11-Q42 PolarHBondContact OE1-NE2 3.09Å; E11-F48 HydrophobicContact CG-CD2 4.25Å; E11-F48 HydrophobicContact CG-CE2 3.49Å; E11-F48 VanDerWaalsContact CG-CE2 3.49Å; E11-F48 HydrophobicContact CG-CZ 3.69Å
12	P	84.3	Confident	74.9	Confident	34 Å²	34	70 Å²	70	22%	0.221	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-64.5	143.1	178.8	24.4	-32.1	0	0	0	111.1	S14 W17 Q42 F48	P12-S14 PolarHBondContact O-N 3.13Å; P12-W17 PolarHBondContact O-NE1 2.85Å; P12-Q42 PolarHBondContact O-NE2 2.86Å; P12-F48 HydrophobicContact CG-CD1 4.37Å; P12-F48 HydrophobicContact CG-CE1 3.5Å; P12-F48 VanDerWaalsContact CG-CE1 3.5Å; P12-F48 HydrophobicContact CG-CZ 3.96Å
13	P	87.6	Confident	77.5	Confident	47 Å²	47	63 Å²	63	31%	0.305	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-57.8	134.1	178.9	-24.4	32.2	0	0	0	112.5	M15 L16 L202	P13-M15 PolarHBondContact O-N 3.46Å; P13-M15 VanDerWaalsContact O-N 3.07Å; P13-L16 HydrophobicContact CG-CD1 4.38Å; P13-L16 PolarHBondContact O-N 3Å; P13-L202 HydrophobicContact CG-CD2 3.83Å
14	S	89.4	Confident	79.4	Confident	50 Å²	50	64.6 Å²	64.6	35%	0.35	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-55.4	-29.1	-177.8	52.7	0	0	0	0	114.9	P12 L16 W17 Q42	P12-S14 PolarHBondContact O-N 3.13Å; S14-L16 PolarHBondContact O-N 2.9Å; S14-W17 VanDerWaalsContact CA-CE2 3.47Å; S14-W17 PolarHBondContact O-N 3.34Å; S14-Q42 PolarHBondContact OG-OE1 2.71Å
15	M	88.7	Confident	81.4	Confident	178 Å²	178	63.1 Å²	63.1	88%	0.877	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-63.3	-21.1	175.2	-65.8	180	65	0	0	113.8	P13	P13-M15 PolarHBondContact O-N 3.46Å; P13-M15 VanDerWaalsContact O-N 3.07Å
16	L	86.9	Confident	83.4	Confident	70 Å²	70	61.4 Å²	61.4	37%	0.366	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-100.3	-10.9	-175.8	-60.7	-179.3	0	0	0	113.6	P13 S14 G18 M19	P13-L16 HydrophobicContact CG-CD1 4.38Å; P13-L16 PolarHBondContact O-N 3Å; S14-L16 PolarHBondContact O-N 2.9Å; L16-G18 VanDerWaalsContact C-N 3.25Å; L16-G18 PolarHBondContact O-N 2.76Å; L16-M19 VanDerWaalsContact O-CB 3.31Å; L16-M19 WeakPolarHBondContact O-CB 3.43Å; L16-M19 PolarHBondContact O-N 2.98Å
17	W	90.9	Very high	85.2	Confident	12 Å²	12	59.9 Å²	59.9	5%	0.045	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-59.6	-36.3	-175.4	-64.8	-9.9	0	0	0	113.3	E11 P12 S14 M19 D20 F23 S40 Q42 V43 I46 F48 P53	E11-W17 WeakPolarHBondContact OE1-CZ2 3.31Å; P12-W17 PolarHBondContact O-NE1 2.85Å; S14-W17 VanDerWaalsContact CA-CE2 3.47Å; S14-W17 PolarHBondContact O-N 3.34Å; W17-M19 PolarHBondContact O-N 3.46Å; W17-M19 VanDerWaalsContact O-N 3.14Å; W17-D20 WeakPolarHBondContact O-CB 3.48Å; W17-D20 PolarHBondContact O-N 3.3Å; W17-D20 VanDerWaalsContact O-N 3.08Å; W17-F23 HydrophobicContact CB-CD2 4Å; W17-F23 HydrophobicContact CB-CE2 4.01Å; W17-F23 HydrophobicContact CB-CG 4.36Å; W17-F23 HydrophobicContact CB-CZ 4.38Å; W17-F23 HydrophobicContact CE3-CE2 4.13Å; W17-F23 WeakPolarHBondContact O-CB 3.42Å; W17-F23 WeakPolarHBondContact O-CG 3.41Å; W17-S40 VanDerWaalsContact CH2-OG 3.29Å; W17-S40 WeakPolarHBondContact CH2-OG 3.45Å; W17-Q42 HydrophobicContact CH2-CB 4.16Å; W17-Q42 HydrophobicContact CZ2-CB 4.33Å; W17-V43 HydrophobicContact CH2-CB 3.75Å; W17-V43 HydrophobicContact CH2-CG2 3.69Å; W17-V43 HydrophobicContact CZ3-CB 3.69Å; W17-V43 HydrophobicContact CZ3-CG1 4.49Å; W17-V43 HydrophobicContact CZ3-CG2 3.63Å; W17-I46 HydrophobicContact CE3-CG1 4.26Å; W17-I46 HydrophobicContact CE3-CG2 4.07Å; W17-I46 HydrophobicContact CH2-CB 4.27Å; W17-I46 HydrophobicContact CH2-CG1 4.36Å; W17-I46 HydrophobicContact CH2-CG2 4.17Å; W17-I46 HydrophobicContact CZ3-CB 3.99Å; W17-I46 HydrophobicContact CZ3-CG1 3.66Å; W17-I46 HydrophobicContact CZ3-CG2 3.87Å; W17-F48 AromaticContact CE2-CZ 3.6Å; W17-F48 HydrophobicContact CZ2-CE2 4.1Å; W17-F48 AromaticContact CZ2-CZ 3.6Å; W17-F48 HydrophobicContact CZ2-CZ 3.6Å; W17-F48 AromaticContact NE1-CZ 3.6Å; W17-P53 HydrophobicContact CB-CB 3.97Å; W17-P53 HydrophobicContact CB-CG 3.62Å; W17-P53 HydrophobicContact CD2-CB 4Å; W17-P53 HydrophobicContact CG-CB 3.74Å; W17-P53 HydrophobicContact CG-CG 3.77Å
18	G	89.7	Confident	86.9	Confident	43 Å²	43	57.8 Å²	57.8	44%	0.443	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-65.4	-13.3	177.8	0	0	0	0	0	114.6	L16	L16-G18 VanDerWaalsContact C-N 3.25Å; L16-G18 PolarHBondContact O-N 2.76Å
19	M	88.8	Confident	88.8	Confident	92 Å²	92	53.5 Å²	53.5	45%	0.453	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-80.6	-24.6	174.8	-58.7	-66.2	91	0	0	112.2	L16 W17 P21 F190 L192	L16-M19 VanDerWaalsContact O-CB 3.31Å; L16-M19 WeakPolarHBondContact O-CB 3.43Å; L16-M19 PolarHBondContact O-N 2.98Å; W17-M19 PolarHBondContact O-N 3.46Å; W17-M19 VanDerWaalsContact O-N 3.14Å; M19-P21 WeakPolarHBondContact O-CD 3.4Å; M19-F190 HydrophobicContact CB-CE1 3.89Å; M19-F190 HydrophobicContact CB-CZ 4.1Å; M19-F190 WeakPolarHBondContact O-CZ 3.23Å; M19-L192 HydrophobicContact CB-CD1 3.59Å; M19-L192 HydrophobicContact CG-CD1 3.95Å
20	D	91	Very high	90.7	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.043	30%	0.297	C	S	.	.	S	Bend	trans	-72.1	119.5	174	-168.3	-38.2	0	0	0	109.4	W17 I22 F23 H52 P53 F190	W17-D20 WeakPolarHBondContact O-CB 3.48Å; W17-D20 PolarHBondContact O-N 3.3Å; W17-D20 VanDerWaalsContact O-N 3.08Å; D20-I22 PolarHBondContact O-N 2.99Å; D20-I22 VanDerWaalsContact O-N 3.09Å; D20-I22 VanDerWaalsContact OD1-CB 3.29Å; D20-I22 WeakPolarHBondContact OD1-CB 3.45Å; D20-I22 PolarHBondContact OD1-N 3.42Å; D20-F23 VanDerWaalsContact O-CB 3.26Å; D20-F23 WeakPolarHBondContact O-CB 3.28Å; D20-F23 PolarHBondContact O-N 3.4Å; D20-H52 IonicContact OD1-ND1 3.95Å; D20-H52 IonicContact OD2-CE1 3.25Å; D20-H52 IonicContact OD2-CG 3.73Å; D20-H52 IonicContact OD2-ND1 3.41Å; D20-H52 PolarHBondContact OD2-ND1 3.44Å; D20-P53 HydrophobicContact CB-CG 4.31Å; D20-F190 HydrophobicContact CB-CD1 4.12Å; D20-F190 HydrophobicContact CB-CE1 4.43Å; D20-F190 HydrophobicContact CB-CG 4.27Å
21	P	90.6	Very high	91.8	Very high	97 Å²	97	47 Å²	47	63%	0.63	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-26.7	179.9	-24.2	34.1	0	0	0	113.5	M19 F23 F190	M19-P21 WeakPolarHBondContact O-CD 3.4Å; P21-F23 VanDerWaalsContact C-N 3.29Å; P21-F23 PolarHBondContact O-N 3.46Å; P21-F190 HydrophobicContact CG-CE2 4.45Å
22	I	92.8	Very high	92.5	Very high	19 Å²	19	52.3 Å²	52.3	10%	0.097	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-30.1	-179.6	-62.3	160.3	0	0	0	110.6	D20 S24 A25 A27 H52 I54 Y186	D20-I22 PolarHBondContact O-N 2.99Å; D20-I22 VanDerWaalsContact O-N 3.09Å; D20-I22 VanDerWaalsContact OD1-CB 3.29Å; D20-I22 WeakPolarHBondContact OD1-CB 3.45Å; D20-I22 PolarHBondContact OD1-N 3.42Å; I22-S24 VanDerWaalsContact C-N 3.28Å; I22-S24 PolarHBondContact O-N 3.44Å; I22-A25 PolarHBondContact O-N 3.27Å; I22-A27 HydrophobicContact CG2-CB 4.16Å; I22-H52 HydrophobicContact CD1-CB 4.28Å; I22-H52 WeakPolarHBondContact CD1-ND1 3.4Å; I22-I54 HydrophobicContact CG2-CD1 3.31Å; I22-Y186 HydrophobicContact CD1-CD1 3.67Å; I22-Y186 HydrophobicContact CD1-CE1 4.08Å; I22-Y186 HydrophobicContact CG1-CD1 4.24Å; I22-Y186 HydrophobicContact CG1-CE1 4.13Å; I22-Y186 HydrophobicContact CG2-CE1 4.3Å
23	F	94.2	Very high	93.1	Very high	42 Å²	42	51.4 Å²	51.4	18%	0.184	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-43.6	-178.2	-175	-110.5	0	0	0	111.9	W17 D20 P21 I46 P53 Y55	W17-F23 HydrophobicContact CB-CD2 4Å; W17-F23 HydrophobicContact CB-CE2 4.01Å; W17-F23 HydrophobicContact CB-CG 4.36Å; W17-F23 HydrophobicContact CB-CZ 4.38Å; W17-F23 HydrophobicContact CE3-CE2 4.13Å; W17-F23 WeakPolarHBondContact O-CB 3.42Å; W17-F23 WeakPolarHBondContact O-CG 3.41Å; D20-F23 VanDerWaalsContact O-CB 3.26Å; D20-F23 WeakPolarHBondContact O-CB 3.28Å; D20-F23 PolarHBondContact O-N 3.4Å; P21-F23 VanDerWaalsContact C-N 3.29Å; P21-F23 PolarHBondContact O-N 3.46Å; F23-I46 HydrophobicContact CE2-CD1 4.15Å; F23-P53 HydrophobicContact CB-CG 4.21Å; F23-P53 HydrophobicContact CD2-CB 3.75Å; F23-P53 HydrophobicContact CD2-CG 3.77Å; F23-P53 HydrophobicContact CE2-CB 4.24Å; F23-P53 HydrophobicContact CG-CG 4.36Å; F23-Y55 HydrophobicContact CD1-CE1 4.22Å; F23-Y55 AromaticContact CD2-CD1 3.92Å; F23-Y55 HydrophobicContact CD2-CD1 3.92Å; F23-Y55 HydrophobicContact CD2-CE1 4.11Å; F23-Y55 HydrophobicContact CE1-CE1 4.06Å; F23-Y55 AromaticContact CE2-CD1 3.69Å; F23-Y55 HydrophobicContact CE2-CD1 3.69Å; F23-Y55 AromaticContact CE2-CE1 3.95Å; F23-Y55 HydrophobicContact CE2-CE1 3.95Å; F23-Y55 HydrophobicContact CG-CD1 4.49Å; F23-Y55 HydrophobicContact CG-CE1 4.26Å; F23-Y55 HydrophobicContact CZ-CD1 4.07Å; F23-Y55 AromaticContact CZ-CE1 3.92Å; F23-Y55 HydrophobicContact CZ-CE1 3.92Å; F23-Y55 WeakPolarHBondContact O-CD1 3.39Å; F23-Y55 WeakPolarHBondContact O-CE1 3.47Å
24	S	90.3	Very high	93.6	Very high	83 Å²	83	49.2 Å²	49.2	58%	0.58	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-9.7	-178.9	-63.7	0	0	0	0	114.2	I22	I22-S24 VanDerWaalsContact C-N 3.28Å; I22-S24 PolarHBondContact O-N 3.44Å
25	A	94.3	Very high	93.9	Very high	44 Å²	44	50 Å²	50	36%	0.364	27%	0.268	S	S	.	.	S	Bend	trans	-89.3	164	-176.8	0	0	0	0	0	112.2	I22 K56	I22-A25 PolarHBondContact O-N 3.27Å; A25-K56 WeakPolarHBondContact O-CB 3.42Å
26	F	97.6	Very high	94.2	Very high	53 Å²	53	46.9 Å²	46.9	23%	0.232	25%	0.252	C	S	.	.			trans	-90.5	101.3	162.8	-68.1	-102.5	0	0	0	107.2	R28 K56 V57 D58 R143	F26-R28 PolarHBondContact O-N 3.28Å; F26-K56 HydrophobicContact CD1-CB 3.8Å; F26-K56 HydrophobicContact CD1-CD 4.46Å; F26-K56 HydrophobicContact CD1-CG 4.25Å; F26-K56 HydrophobicContact CD2-CD 4.49Å; F26-K56 HydrophobicContact CE1-CB 4.13Å; F26-K56 HydrophobicContact CE1-CD 4.15Å; F26-K56 HydrophobicContact CE1-CG 4.07Å; F26-K56 HydrophobicContact CE2-CD 4.19Å; F26-K56 HydrophobicContact CG-CB 4.13Å; F26-K56 HydrophobicContact CZ-CD 4.02Å; F26-K56 HydrophobicContact CZ-CG 4.43Å; F26-V57 WeakPolarHBondContact CD1-O 3.4Å; F26-D58 HydrophobicContact CB-CB 3.92Å; F26-R143 HydrophobicContact CD1-CB 3.79Å; F26-R143 HydrophobicContact CD1-CG 4.48Å; F26-R143 HydrophobicContact CE1-CB 3.88Å
27	A	97.4	Very high	94.5	Very high	1 Å²	1	44 Å²	44	1%	0.008	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-67.2	131.2	-177.2	0	0	0	0	0	110.4	I22 L29 I54 K56 V57 D58	I22-A27 HydrophobicContact CG2-CB 4.16Å; A27-L29 HydrophobicContact CB-CD1 4.2Å; A27-L29 HydrophobicContact CB-CG 3.99Å; A27-L29 PolarHBondContact O-N 3.47Å; A27-I54 HydrophobicContact CB-CD1 4.15Å; A27-I54 HydrophobicContact CB-CG2 4.21Å; A27-K56 PolarHBondContact N-O 3.38Å; A27-V57 CarbonylContact O-C 3.56Å; A27-V57 VanDerWaalsContact O-CA 3.25Å; A27-V57 WeakPolarHBondContact O-CA 3.28Å; A27-D58 PolarHBondContact O-N 2.99Å
28	R	97.9	Very high	94.5	Very high	52 Å²	52	44.8 Å²	44.8	20%	0.196	24%	0.243	C	C	.	.			trans	-89.3	91.4	175.4	-69.2	-174.1	-172.5	167.1	18.2	108.7	F26 D58 W174 E177 V178 L181 Y186	F26-R28 PolarHBondContact O-N 3.28Å; R28-D58 HydrophobicContact CG-CB 3.88Å; R28-D58 IonicContact NE-OD2 3.42Å; R28-D58 PolarHBondContact NE-OD2 3.1Å; R28-D58 VanDerWaalsContact NE-OD2 3.16Å; R28-W174 HydrophobicContact CB-CH2 4.37Å; R28-W174 HydrophobicContact CB-CZ2 4.25Å; R28-W174 VanDerWaalsContact CD-CH2 3.5Å; R28-W174 HydrophobicContact CG-CH2 3.71Å; R28-W174 HydrophobicContact CG-CZ2 4.09Å; R28-W174 HydrophobicContact CG-CZ3 4.38Å; R28-E177 IonicContact CZ-OE1 2.76Å; R28-E177 IonicContact NH1-OE1 3.66Å; R28-E177 PolarHBondContact NH1-OE1 3.15Å; R28-E177 IonicContact NH1-OE2 2.72Å; R28-E177 PolarHBondContact NH1-OE2 3.14Å; R28-E177 IonicContact NH2-OE1 3.26Å; R28-V178 HydrophobicContact CB-CG2 4.2Å; R28-L181 HydrophobicContact CB-CD1 3.93Å; R28-L181 HydrophobicContact CG-CD1 4.4Å; R28-Y186 PolarHBondContact N-OH 2.98Å; R28-Y186 VanDerWaalsContact N-OH 3.16Å; R28-Y186 WeakPolarHBondContact O-CE2 3.41Å
29	L	97.4	Very high	94.7	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	24%	0.235	C	C	.	.			trans	-110.4	150.7	-178.2	-60.6	177.2	0	0	0	110.1	A27 I34 M37 I54 V57 Y182 Y186	A27-L29 HydrophobicContact CB-CD1 4.2Å; A27-L29 HydrophobicContact CB-CG 3.99Å; A27-L29 PolarHBondContact O-N 3.47Å; L29-I34 HydrophobicContact CB-CD1 4.12Å; L29-I34 HydrophobicContact CB-CG1 3.71Å; L29-I34 HydrophobicContact CD1-CG1 4.37Å; L29-M37 HydrophobicContact CD1-CE 4.38Å; L29-M37 HydrophobicContact CD1-SD 3.87Å; L29-I54 HydrophobicContact CD1-CG1 4.28Å; L29-I54 HydrophobicContact CD1-CG2 4.03Å; L29-V57 HydrophobicContact CD1-CG1 4.44Å; L29-Y182 WeakPolarHBondContact CA-OH 3.43Å; L29-Y182 HydrophobicContact CD2-CE2 3.97Å; L29-Y186 HydrophobicContact CD2-CD2 3.61Å; L29-Y186 HydrophobicContact CD2-CE2 3.79Å; L29-Y186 HydrophobicContact CD2-CG 4.22Å
30	F	98	Very high	94.8	Very high	46 Å²	46	41.6 Å²	41.6	20%	0.202	22%	0.216	C	C	.	.			trans	-63.1	141.7	167.1	-68.8	-58.4	0	0	0	110.2	R32 D33 I34 D79 T81 V178 P179 Y182	F30-R32 PolarHBondContact O-N 2.81Å; F30-D33 PolarHBondContact O-N 3.01Å; F30-I34 WeakPolarHBondContact O-CG1 3.47Å; F30-I34 PolarHBondContact O-N 3.45Å; F30-D79 WeakPolarHBondContact CA-OD2 3.3Å; F30-T81 HydrophobicContact CB-CG2 4.02Å; F30-T81 HydrophobicContact CD1-CG2 3.56Å; F30-T81 HydrophobicContact CE1-CG2 4.24Å; F30-T81 HydrophobicContact CG-CG2 3.91Å; F30-V178 HydrophobicContact CD1-CG1 4.27Å; F30-V178 HydrophobicContact CD2-CG1 4.31Å; F30-V178 HydrophobicContact CE1-CB 4.39Å; F30-V178 HydrophobicContact CE1-CG1 3.85Å; F30-V178 HydrophobicContact CE2-CG1 3.9Å; F30-V178 HydrophobicContact CG-CG1 4.49Å; F30-V178 HydrophobicContact CZ-CB 4.25Å; F30-V178 HydrophobicContact CZ-CG1 3.65Å; F30-P179 HydrophobicContact CZ-CG 4.2Å; F30-Y182 HydrophobicContact CD2-CE1 4.28Å; F30-Y182 AromaticContact CD2-CE2 3.89Å; F30-Y182 HydrophobicContact CD2-CE2 3.89Å; F30-Y182 AromaticContact CD2-CZ 3.67Å; F30-Y182 HydrophobicContact CE2-CD2 4.46Å; F30-Y182 HydrophobicContact CE2-CE2 4.11Å; F30-Y182 PolarHBondContact N-OH 3.42Å
31	V	98.1	Very high	94.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-56.5	-39.8	180	171.6	0	0	0	0	111.2	D33 I34 L35 V59 D79 T81 G82 I84	V31-D33 VanDerWaalsContact C-N 3.26Å; V31-D33 PolarHBondContact O-N 3.48Å; V31-I34 PolarHBondContact O-N 3.35Å; V31-L35 HydrophobicContact CG1-CD1 3.95Å; V31-L35 HydrophobicContact CG1-CG 4.23Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.39Å; V31-L35 PolarHBondContact O-N 3.4Å; V31-V59 HydrophobicContact CG2-CG1 3.73Å; V31-D79 WeakPolarHBondContact CB-OD1 3.38Å; V31-D79 HydrophobicContact CG2-CB 4.03Å; V31-D79 VanDerWaalsContact CG2-CG 3.47Å; V31-D79 WeakPolarHBondContact CG2-OD2 3.41Å; V31-D79 PolarHBondContact N-OD2 3.28Å; V31-T81 PolarHBondContact N-OG1 2.9Å; V31-G82 VanDerWaalsContact CG1-C 3.41Å; V31-G82 WeakPolarHBondContact CG1-O 3.39Å; V31-I84 HydrophobicContact CB-CG2 4.47Å; V31-I84 HydrophobicContact CG1-CB 3.68Å; V31-I84 HydrophobicContact CG1-CG2 3.78Å; V31-I84 HydrophobicContact CG2-CG2 3.83Å
32	R	97.4	Very high	94.8	Very high	124 Å²	124	44.4 Å²	44.4	47%	0.468	23%	0.226	S	C	.	.	H	α-helix	trans	-51.9	-47	174.1	-177.4	177.9	65.5	-163	-4.1	112.3	F30 L35 Q36 T81	F30-R32 PolarHBondContact O-N 2.81Å; R32-L35 PolarHBondContact O-N 3.13Å; R32-Q36 WeakPolarHBondContact O-CB 2.97Å; R32-Q36 VanDerWaalsContact O-CG 3.26Å; R32-Q36 WeakPolarHBondContact O-CG 3.46Å; R32-Q36 PolarHBondContact O-N 2.97Å; R32-Q36 VanDerWaalsContact O-N 3.11Å; R32-T81 PolarHBondContact N-OG1 3.39Å
33	D	97.1	Very high	94.7	Very high	16 Å²	16	46.3 Å²	46.3	9%	0.086	24%	0.239	C	C	.	.	H	α-helix	trans	-73	-39.6	-175.5	-57.7	-21.7	0	0	0	109.7	F30 V31 L35 Q36 M37 Y49 Y182	F30-D33 PolarHBondContact O-N 3.01Å; V31-D33 VanDerWaalsContact C-N 3.26Å; V31-D33 PolarHBondContact O-N 3.48Å; D33-L35 PolarHBondContact O-N 2.9Å; D33-Q36 CarbonylContact O-C 3.57Å; D33-Q36 PolarHBondContact O-N 3.03Å; D33-M37 VanDerWaalsContact O-CG 3.3Å; D33-M37 WeakPolarHBondContact O-CG 3.43Å; D33-M37 PolarHBondContact O-N 3.5Å; D33-Y49 HydrophobicContact CB-CD2 4.18Å; D33-Y49 HydrophobicContact CB-CE2 4Å; D33-Y182 WeakPolarHBondContact OD2-CE1 3.39Å; D33-Y182 VanDerWaalsContact OD2-CZ 3.22Å; D33-Y182 PolarHBondContact OD2-OH 3.17Å
34	I	97.4	Very high	94.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.1	-39.5	172.1	-61.7	170.4	0	0	0	111.2	L29 F30 V31 Q36 M37 V57 V59 I84 V146 R153	L29-I34 HydrophobicContact CB-CD1 4.12Å; L29-I34 HydrophobicContact CB-CG1 3.71Å; L29-I34 HydrophobicContact CD1-CG1 4.37Å; F30-I34 WeakPolarHBondContact O-CG1 3.47Å; F30-I34 PolarHBondContact O-N 3.45Å; V31-I34 PolarHBondContact O-N 3.35Å; I34-Q36 VanDerWaalsContact C-N 3.34Å; I34-M37 HydrophobicContact CB-CE 4.37Å; I34-M37 HydrophobicContact CG2-CE 4.22Å; I34-V57 HydrophobicContact CD1-CB 3.99Å; I34-V57 HydrophobicContact CD1-CG1 3.99Å; I34-V57 HydrophobicContact CD1-CG2 4.12Å; I34-V57 HydrophobicContact CG1-CG1 4.13Å; I34-V59 HydrophobicContact CD1-CG2 3.51Å; I34-I84 HydrophobicContact CB-CD1 4.49Å; I34-I84 HydrophobicContact CG2-CD1 3.65Å; I34-V146 HydrophobicContact CG2-CG1 4.25Å; I34-V146 HydrophobicContact CG2-CG2 4.09Å; I34-R153 WeakPolarHBondContact O-CD 3.31Å; I34-R153 PolarHBondContact O-NH1 2.99Å
35	L	96.2	Very high	94.5	Very high	66 Å²	66	46.6 Å²	46.6	35%	0.346	25%	0.247	S	C	.	.	H	α-helix	trans	-73.5	-23	177.6	-66.2	174.6	0	0	0	113.5	V31 R32 D33 I84 R153	V31-L35 HydrophobicContact CG1-CD1 3.95Å; V31-L35 HydrophobicContact CG1-CG 4.23Å; V31-L35 VanDerWaalsContact O-CG 3.29Å; V31-L35 WeakPolarHBondContact O-CG 3.39Å; V31-L35 PolarHBondContact O-N 3.4Å; R32-L35 PolarHBondContact O-N 3.13Å; D33-L35 PolarHBondContact O-N 2.9Å; L35-I84 HydrophobicContact CD2-CD1 4.02Å; L35-I84 HydrophobicContact CD2-CG1 4.25Å; L35-R153 HydrophobicContact CD2-CB 3.89Å; L35-R153 PolarHBondContact O-NH1 3.16Å; L35-R153 VanDerWaalsContact O-NH1 3.13Å
36	Q	93.8	Very high	94.5	Very high	114 Å²	114	45.3 Å²	45.3	53%	0.533	23%	0.234	S	C	.	.	H	α-helix	trans	-105.5	-17	-173	-71.5	178.9	6.1	0	0	115.4	R32 D33 I34	R32-Q36 WeakPolarHBondContact O-CB 2.97Å; R32-Q36 VanDerWaalsContact O-CG 3.26Å; R32-Q36 WeakPolarHBondContact O-CG 3.46Å; R32-Q36 PolarHBondContact O-N 2.97Å; R32-Q36 VanDerWaalsContact O-N 3.11Å; D33-Q36 CarbonylContact O-C 3.57Å; D33-Q36 PolarHBondContact O-N 3.03Å; I34-Q36 VanDerWaalsContact C-N 3.34Å
37	M	93.8	Very high	94.4	Very high	8 Å²	8	42.8 Å²	42.8	4%	0.039	22%	0.223	C	C	.	.	S	Bend	trans	-46.8	158.2	173.8	-72.4	-174.2	-62.1	0	0	111.2	L29 D33 I34 Y47 F48 Y49 I54 R153	L29-M37 HydrophobicContact CD1-CE 4.38Å; L29-M37 HydrophobicContact CD1-SD 3.87Å; D33-M37 VanDerWaalsContact O-CG 3.3Å; D33-M37 WeakPolarHBondContact O-CG 3.43Å; D33-M37 PolarHBondContact O-N 3.5Å; I34-M37 HydrophobicContact CB-CE 4.37Å; I34-M37 HydrophobicContact CG2-CE 4.22Å; M37-Y47 HydrophobicContact CE-CG 4.26Å; M37-F48 WeakPolarHBondContact CA-O 3.28Å; M37-F48 VanDerWaalsContact CB-O 3.27Å; M37-F48 WeakPolarHBondContact CB-O 2.94Å; M37-F48 WeakPolarHBondContact CG-O 3.4Å; M37-Y49 HydrophobicContact CG-CD2 4.42Å; M37-I54 HydrophobicContact CE-CB 4.41Å; M37-I54 HydrophobicContact CE-CG2 4.25Å; M37-I54 HydrophobicContact SD-CB 3.87Å; M37-I54 HydrophobicContact SD-CG1 3.87Å; M37-I54 HydrophobicContact SD-CG2 4.16Å; M37-R153 PolarHBondContact O-NH1 2.99Å; M37-R153 PolarHBondContact O-NH2 3.17Å
38	T	91.6	Very high	94.3	Very high	29 Å²	29	43.2 Å²	43.2	18%	0.178	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	138.4	175	-60	0	0	0	0	110.4	A4 M6 Y47 F48	A4-T38 WeakPolarHBondContact O-CG2 3.48Å; A4-T38 PolarHBondContact O-OG1 3.39Å; M6-T38 HydrophobicContact CB-CG2 3.73Å; M6-T38 VanDerWaalsContact N-CG2 3.33Å; T38-Y47 CarbonylContact O-C 3.52Å; T38-Y47 WeakPolarHBondContact O-CA 3.47Å; T38-F48 PolarHBondContact N-O 3.29Å; T38-F48 PolarHBondContact O-N 2.94Å
39	E	92.8	Very high	94.1	Very high	61 Å²	61	43 Å²	43	29%	0.285	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.9	174.7	-167.8	164.4	179	0	0	109.9	G45 I46 Y47 T148	E39-G45 PolarHBondContact OE1-N 3.39Å; E39-I46 WeakPolarHBondContact CA-O 3.26Å; E39-Y47 HydrophobicContact CB-CD1 3.82Å; E39-Y47 HydrophobicContact CB-CE1 3.75Å; E39-Y47 HydrophobicContact CG-CD1 4.11Å; E39-Y47 HydrophobicContact CG-CE1 3.76Å; E39-T148 WeakPolarHBondContact OE2-CB 3.33Å; E39-T148 PolarHBondContact OE2-OG1 3Å
40	S	91.9	Very high	93.8	Very high	8 Å²	8	45.6 Å²	45.6	6%	0.056	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-58.6	139	178.1	171.1	0	0	0	0	111.2	E11 W17 Q42 V43 I46	E11-S40 WeakPolarHBondContact OE1-CB 3.42Å; E11-S40 PolarHBondContact OE1-OG 3.19Å; E11-S40 WeakPolarHBondContact OE2-CA 3.21Å; W17-S40 VanDerWaalsContact CH2-OG 3.29Å; W17-S40 WeakPolarHBondContact CH2-OG 3.45Å; S40-Q42 PolarHBondContact OG-N 3.45Å; S40-V43 WeakPolarHBondContact CB-O 3.47Å; S40-V43 PolarHBondContact OG-N 3.16Å; S40-I46 WeakPolarHBondContact CB-O 3.37Å; S40-I46 PolarHBondContact N-O 2.85Å
41	V	90.3	Very high	93.4	Very high	86 Å²	86	46.8 Å²	46.8	52%	0.521	25%	0.246	S	C	.	.	S	Bend	trans	-81.4	-21.3	170.5	-54.9	0	0	0	0	112.1	P8 E11	P8-V41 HydrophobicContact CB-CG2 4.29Å; E11-V41 WeakPolarHBondContact OE2-CG2 3.48Å; E11-V41 PolarHBondContact OE2-N 3.49Å
42	Q	90.1	Very high	93.1	Very high	78 Å²	78	47 Å²	47	36%	0.364	25%	0.247	S	C	.	.	S	Bend	trans	-79.2	-45.9	178.8	-67.1	175.3	75.1	0	0	112.4	E11 P12 S14 W17 S40	E11-Q42 WeakPolarHBondContact OE1-CG 3.34Å; E11-Q42 PolarHBondContact OE1-NE2 3.09Å; P12-Q42 PolarHBondContact O-NE2 2.86Å; S14-Q42 PolarHBondContact OG-OE1 2.71Å; W17-Q42 HydrophobicContact CH2-CB 4.16Å; W17-Q42 HydrophobicContact CZ2-CB 4.33Å; S40-Q42 PolarHBondContact OG-N 3.45Å
43	V	90.6	Very high	93	Very high	58 Å²	58	41.2 Å²	41.2	35%	0.352	23%	0.225	S	C	.	.	S	Bend	trans	-137.7	110.5	-174.2	-174.4	0	0	0	0	110.8	W17 S40 I46	W17-V43 HydrophobicContact CH2-CB 3.75Å; W17-V43 HydrophobicContact CH2-CG2 3.69Å; W17-V43 HydrophobicContact CZ3-CB 3.69Å; W17-V43 HydrophobicContact CZ3-CG1 4.49Å; W17-V43 HydrophobicContact CZ3-CG2 3.63Å; S40-V43 WeakPolarHBondContact CB-O 3.47Å; S40-V43 PolarHBondContact OG-N 3.16Å; V43-I46 HydrophobicContact CB-CG1 4.12Å; V43-I46 HydrophobicContact CG1-CG1 4.01Å; V43-I46 PolarHBondContact O-N 3.32Å
44	P	90.6	Very high	93	Very high	109 Å²	109	40.6 Å²	40.6	71%	0.708	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	143.4	176.3	-25.1	34.2	0	0	0	112.9	I46	P44-I46 VanDerWaalsContact C-N 3.31Å
45	G	90.7	Very high	92.9	Very high	23 Å²	23	43.1 Å²	43.1	24%	0.237	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	3.3	-177.4	0	0	0	0	0	115.4	E39 Y47	E39-G45 PolarHBondContact OE1-N 3.39Å; G45-Y47 WeakPolarHBondContact O-CE2 3.4Å
46	I	94.6	Very high	92.9	Very high	17 Å²	17	42.5 Å²	42.5	9%	0.087	23%	0.227	C	C	.	.			trans	-103.1	137.6	165	-53.3	-59.1	0	0	0	108.4	W17 F23 E39 S40 V43 P44 P53 Y55	W17-I46 HydrophobicContact CE3-CG1 4.26Å; W17-I46 HydrophobicContact CE3-CG2 4.07Å; W17-I46 HydrophobicContact CH2-CB 4.27Å; W17-I46 HydrophobicContact CH2-CG1 4.36Å; W17-I46 HydrophobicContact CH2-CG2 4.17Å; W17-I46 HydrophobicContact CZ3-CB 3.99Å; W17-I46 HydrophobicContact CZ3-CG1 3.66Å; W17-I46 HydrophobicContact CZ3-CG2 3.87Å; F23-I46 HydrophobicContact CE2-CD1 4.15Å; E39-I46 WeakPolarHBondContact CA-O 3.26Å; S40-I46 WeakPolarHBondContact CB-O 3.37Å; S40-I46 PolarHBondContact N-O 2.85Å; V43-I46 HydrophobicContact CB-CG1 4.12Å; V43-I46 HydrophobicContact CG1-CG1 4.01Å; V43-I46 PolarHBondContact O-N 3.32Å; P44-I46 VanDerWaalsContact C-N 3.31Å; I46-P53 HydrophobicContact CG2-CB 4.01Å; I46-Y55 VanDerWaalsContact CD1-CB 3.43Å; I46-Y55 HydrophobicContact CD1-CD1 4.21Å; I46-Y55 HydrophobicContact CD1-CG 3.97Å
47	Y	95.1	Very high	93.1	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	156.1	-177.6	-55.8	-89.5	0	0	0	110.5	M37 T38 E39 G45 P53 I54 V146 K147 T148	M37-Y47 HydrophobicContact CE-CG 4.26Å; T38-Y47 CarbonylContact O-C 3.52Å; T38-Y47 WeakPolarHBondContact O-CA 3.47Å; E39-Y47 HydrophobicContact CB-CD1 3.82Å; E39-Y47 HydrophobicContact CB-CE1 3.75Å; E39-Y47 HydrophobicContact CG-CD1 4.11Å; E39-Y47 HydrophobicContact CG-CE1 3.76Å; G45-Y47 WeakPolarHBondContact O-CE2 3.4Å; Y47-P53 CarbonylContact O-C 3.57Å; Y47-I54 PolarHBondContact N-O 3.1Å; Y47-I54 PolarHBondContact O-N 2.88Å; Y47-V146 HydrophobicContact CD2-CB 4.02Å; Y47-V146 HydrophobicContact CD2-CG1 4.04Å; Y47-V146 HydrophobicContact CE2-CB 3.73Å; Y47-V146 HydrophobicContact CE2-CG1 3.61Å; Y47-K147 VanDerWaalsContact OH-C 3.28Å; Y47-T148 WeakPolarHBondContact CE1-OG1 3.28Å; Y47-T148 PolarHBondContact OH-N 3.41Å; Y47-T148 PolarHBondContact OH-OG1 2.86Å
48	F	94.3	Very high	93.3	Very high	9 Å²	9	36.8 Å²	36.8	4%	0.039	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	126.1	179.8	-72.5	-79.8	0	0	0	111.9	M6 E11 P12 W17 M37 T38 H52 P53	M6-F48 HydrophobicContact SD-CB 4.25Å; M6-F48 HydrophobicContact SD-CD2 4.24Å; M6-F48 HydrophobicContact SD-CG 4.28Å; E11-F48 HydrophobicContact CG-CD2 4.25Å; E11-F48 HydrophobicContact CG-CE2 3.49Å; E11-F48 VanDerWaalsContact CG-CE2 3.49Å; E11-F48 HydrophobicContact CG-CZ 3.69Å; P12-F48 HydrophobicContact CG-CD1 4.37Å; P12-F48 HydrophobicContact CG-CE1 3.5Å; P12-F48 VanDerWaalsContact CG-CE1 3.5Å; P12-F48 HydrophobicContact CG-CZ 3.96Å; W17-F48 AromaticContact CE2-CZ 3.6Å; W17-F48 HydrophobicContact CZ2-CE2 4.1Å; W17-F48 AromaticContact CZ2-CZ 3.6Å; W17-F48 HydrophobicContact CZ2-CZ 3.6Å; W17-F48 AromaticContact NE1-CZ 3.6Å; M37-F48 WeakPolarHBondContact CA-O 3.28Å; M37-F48 VanDerWaalsContact CB-O 3.27Å; M37-F48 WeakPolarHBondContact CB-O 2.94Å; M37-F48 WeakPolarHBondContact CG-O 3.4Å; T38-F48 PolarHBondContact N-O 3.29Å; T38-F48 PolarHBondContact O-N 2.94Å; F48-H52 WeakPolarHBondContact CA-O 3.33Å; F48-H52 WeakPolarHBondContact CD1-O 3.38Å; F48-P53 HydrophobicContact CD1-CB 4.39Å; F48-P53 HydrophobicContact CE1-CB 3.73Å; F48-P53 HydrophobicContact CE1-CG 4.5Å; F48-P53 HydrophobicContact CZ-CB 4.24Å
49	Y	94.1	Very high	93.7	Very high	47 Å²	47	35.4 Å²	35.4	18%	0.184	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	113.5	161.2	-177.3	-90.3	0	0	0	107.6	D33 M37 L51 H52 Y182 D187	D33-Y49 HydrophobicContact CB-CD2 4.18Å; D33-Y49 HydrophobicContact CB-CE2 4Å; M37-Y49 HydrophobicContact CG-CD2 4.42Å; Y49-L51 VanDerWaalsContact C-N 3.3Å; Y49-L51 PolarHBondContact O-N 3.33Å; Y49-H52 PolarHBondContact N-O 2.95Å; Y49-H52 VanDerWaalsContact O-CB 3.28Å; Y49-H52 WeakPolarHBondContact O-CB 3.47Å; Y49-H52 PolarHBondContact O-CD2 3.47Å; Y49-H52 PolarHBondContact O-N 2.91Å; Y49-Y182 HydrophobicContact CE1-CD1 4.18Å; Y49-Y182 HydrophobicContact CE1-CE1 4.08Å; Y49-Y182 AromaticContact CE2-CE1 3.94Å; Y49-Y182 HydrophobicContact CE2-CE1 3.94Å; Y49-Y182 AromaticContact CZ-CD1 3.81Å; Y49-Y182 AromaticContact CZ-CE1 3.46Å; Y49-Y182 VanDerWaalsContact CZ-CE1 3.46Å; Y49-Y182 VanDerWaalsContact OH-CD1 3.23Å; Y49-Y182 WeakPolarHBondContact OH-CD1 3.08Å; Y49-Y182 WeakPolarHBondContact OH-CE1 3.28Å; Y49-D187 PolarHBondContact OH-OD1 3.4Å
50	N	90.5	Very high	93.9	Very high	58 Å²	58	32.9 Å²	32.9	31%	0.31	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	48.6	178.4	-169.4	39.6	0	0	0	113.7	H52 Y186 D187 H189	N50-H52 PolarHBondContact O-CD2 2.77Å; N50-H52 PolarHBondContact O-N 3Å; N50-H52 VanDerWaalsContact O-N 3.15Å; N50-Y186 PolarHBondContact ND2-O 2.95Å; N50-D187 WeakPolarHBondContact ND2-CA 3.34Å; N50-D187 PolarHBondContact ND2-O 3.22Å; N50-H189 PolarHBondContact OD1-CD2 2.99Å; N50-H189 PolarHBondContact OD1-NE2 3.45Å
51	L	89.5	Confident	94.2	Very high	71 Å²	71	32.7 Å²	32.7	37%	0.372	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	-2.1	-176.2	-49.4	-179.7	0	0	0	116.3	M6 D10 Y49	M6-L51 HydrophobicContact CE-CD2 3.17Å; D10-L51 WeakPolarHBondContact O-CD2 3.38Å; Y49-L51 VanDerWaalsContact C-N 3.3Å; Y49-L51 PolarHBondContact O-N 3.33Å
52	H	93.2	Very high	94.6	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.019	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	126.2	170.8	-61	-71.1	0	0	0	110.6	D20 I22 F48 Y49 N50 I54 F185 Y186 K188	D20-H52 IonicContact OD1-ND1 3.95Å; D20-H52 IonicContact OD2-CE1 3.25Å; D20-H52 IonicContact OD2-CG 3.73Å; D20-H52 IonicContact OD2-ND1 3.41Å; D20-H52 PolarHBondContact OD2-ND1 3.44Å; I22-H52 HydrophobicContact CD1-CB 4.28Å; I22-H52 WeakPolarHBondContact CD1-ND1 3.4Å; F48-H52 WeakPolarHBondContact CA-O 3.33Å; F48-H52 WeakPolarHBondContact CD1-O 3.38Å; Y49-H52 PolarHBondContact N-O 2.95Å; Y49-H52 VanDerWaalsContact O-CB 3.28Å; Y49-H52 WeakPolarHBondContact O-CB 3.47Å; Y49-H52 PolarHBondContact O-CD2 3.47Å; Y49-H52 PolarHBondContact O-N 2.91Å; N50-H52 PolarHBondContact O-CD2 2.77Å; N50-H52 PolarHBondContact O-N 3Å; N50-H52 VanDerWaalsContact O-N 3.15Å; H52-I54 HydrophobicContact CB-CD1 3.98Å; H52-I54 PolarHBondContact O-N 3.33Å; H52-F185 PolarHBondContact NE2-O 3.17Å; H52-Y186 PolarHBondContact CD2-O 3.34Å; H52-Y186 PolarHBondContact NE2-O 3.44Å; H52-K188 PolarHBondContact CE1-O 3.28Å; H52-K188 PolarHBondContact NE2-O 3.49Å
53	P	95.1	Very high	95	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.019	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	114.2	175	30.6	-32.7	0	0	0	109.8	W17 D20 F23 I46 Y47 F48	W17-P53 HydrophobicContact CB-CB 3.97Å; W17-P53 HydrophobicContact CB-CG 3.62Å; W17-P53 HydrophobicContact CD2-CB 4Å; W17-P53 HydrophobicContact CG-CB 3.74Å; W17-P53 HydrophobicContact CG-CG 3.77Å; D20-P53 HydrophobicContact CB-CG 4.31Å; F23-P53 HydrophobicContact CB-CG 4.21Å; F23-P53 HydrophobicContact CD2-CB 3.75Å; F23-P53 HydrophobicContact CD2-CG 3.77Å; F23-P53 HydrophobicContact CE2-CB 4.24Å; F23-P53 HydrophobicContact CG-CG 4.36Å; I46-P53 HydrophobicContact CG2-CB 4.01Å; Y47-P53 CarbonylContact O-C 3.57Å; F48-P53 HydrophobicContact CD1-CB 4.39Å; F48-P53 HydrophobicContact CE1-CB 3.73Å; F48-P53 HydrophobicContact CE1-CG 4.5Å; F48-P53 HydrophobicContact CZ-CB 4.24Å
54	I	96.2	Very high	95.4	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.015	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125.1	-178.1	-48.8	-57.4	0	0	0	109.2	I22 A27 L29 M37 Y47 H52 V57	I22-I54 HydrophobicContact CG2-CD1 3.31Å; A27-I54 HydrophobicContact CB-CD1 4.15Å; A27-I54 HydrophobicContact CB-CG2 4.21Å; L29-I54 HydrophobicContact CD1-CG1 4.28Å; L29-I54 HydrophobicContact CD1-CG2 4.03Å; M37-I54 HydrophobicContact CE-CB 4.41Å; M37-I54 HydrophobicContact CE-CG2 4.25Å; M37-I54 HydrophobicContact SD-CB 3.87Å; M37-I54 HydrophobicContact SD-CG1 3.87Å; M37-I54 HydrophobicContact SD-CG2 4.16Å; Y47-I54 PolarHBondContact N-O 3.1Å; Y47-I54 PolarHBondContact O-N 2.88Å; H52-I54 HydrophobicContact CB-CD1 3.98Å; H52-I54 PolarHBondContact O-N 3.33Å; I54-V57 HydrophobicContact CG2-CG1 3.97Å
55	Y	95.1	Very high	95.7	Very high	54 Å²	54	26.3 Å²	26.3	21%	0.212	14%	0.135	C	C	.	.			trans	-131.4	-13.8	169	78.8	-87.4	0	0	0	114	F23 I46 P145 V146	F23-Y55 HydrophobicContact CD1-CE1 4.22Å; F23-Y55 AromaticContact CD2-CD1 3.92Å; F23-Y55 HydrophobicContact CD2-CD1 3.92Å; F23-Y55 HydrophobicContact CD2-CE1 4.11Å; F23-Y55 HydrophobicContact CE1-CE1 4.06Å; F23-Y55 AromaticContact CE2-CD1 3.69Å; F23-Y55 HydrophobicContact CE2-CD1 3.69Å; F23-Y55 AromaticContact CE2-CE1 3.95Å; F23-Y55 HydrophobicContact CE2-CE1 3.95Å; F23-Y55 HydrophobicContact CG-CD1 4.49Å; F23-Y55 HydrophobicContact CG-CE1 4.26Å; F23-Y55 HydrophobicContact CZ-CD1 4.07Å; F23-Y55 AromaticContact CZ-CE1 3.92Å; F23-Y55 HydrophobicContact CZ-CE1 3.92Å; F23-Y55 WeakPolarHBondContact O-CD1 3.39Å; F23-Y55 WeakPolarHBondContact O-CE1 3.47Å; I46-Y55 VanDerWaalsContact CD1-CB 3.43Å; I46-Y55 HydrophobicContact CD1-CD1 4.21Å; I46-Y55 HydrophobicContact CD1-CG 3.97Å; Y55-P145 CarbonylContact O-C 3.54Å; Y55-P145 WeakPolarHBondContact O-CA 3.46Å; Y55-V146 PolarHBondContact O-N 3.34Å
56	K	97.3	Very high	96	Very high	52 Å²	52	27.4 Å²	27.4	23%	0.226	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.3	176.6	-79.6	166.6	175.8	160.3	0	110.4	A25 F26 A27	A25-K56 WeakPolarHBondContact O-CB 3.42Å; F26-K56 HydrophobicContact CD1-CB 3.8Å; F26-K56 HydrophobicContact CD1-CD 4.46Å; F26-K56 HydrophobicContact CD1-CG 4.25Å; F26-K56 HydrophobicContact CD2-CD 4.49Å; F26-K56 HydrophobicContact CE1-CB 4.13Å; F26-K56 HydrophobicContact CE1-CD 4.15Å; F26-K56 HydrophobicContact CE1-CG 4.07Å; F26-K56 HydrophobicContact CE2-CD 4.19Å; F26-K56 HydrophobicContact CG-CB 4.13Å; F26-K56 HydrophobicContact CZ-CD 4.02Å; F26-K56 HydrophobicContact CZ-CG 4.43Å; A27-K56 PolarHBondContact N-O 3.38Å
57	V	98.3	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	155.9	-179.5	-63.5	0	0	0	0	112.1	F26 A27 L29 I34 I54 V59 R143 G144 V146 I155	F26-V57 WeakPolarHBondContact CD1-O 3.4Å; A27-V57 CarbonylContact O-C 3.56Å; A27-V57 VanDerWaalsContact O-CA 3.25Å; A27-V57 WeakPolarHBondContact O-CA 3.28Å; L29-V57 HydrophobicContact CD1-CG1 4.44Å; I34-V57 HydrophobicContact CD1-CB 3.99Å; I34-V57 HydrophobicContact CD1-CG1 3.99Å; I34-V57 HydrophobicContact CD1-CG2 4.12Å; I34-V57 HydrophobicContact CG1-CG1 4.13Å; I54-V57 HydrophobicContact CG2-CG1 3.97Å; V57-V59 HydrophobicContact CG2-CG2 4.36Å; V57-R143 WeakPolarHBondContact O-CA 3.41Å; V57-G144 PolarHBondContact N-O 3.31Å; V57-G144 PolarHBondContact O-N 3.39Å; V57-V146 HydrophobicContact CB-CG2 4.2Å; V57-V146 HydrophobicContact CG1-CG2 3.55Å; V57-V146 HydrophobicContact CG2-CG2 3.57Å; V57-I155 HydrophobicContact CG2-CD1 3.6Å; V57-I155 HydrophobicContact CG2-CG1 3.81Å; V57-I155 HydrophobicContact CG2-CG2 4.25Å
58	D	98.4	Very high	96	Very high	2 Å²	2	37.2 Å²	37.2	1%	0.011	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	110.8	174.6	178.5	20.9	0	0	0	108.6	F26 A27 R28 R141 R143 W174	F26-D58 HydrophobicContact CB-CB 3.92Å; A27-D58 PolarHBondContact O-N 2.99Å; R28-D58 HydrophobicContact CG-CB 3.88Å; R28-D58 IonicContact NE-OD2 3.42Å; R28-D58 PolarHBondContact NE-OD2 3.1Å; R28-D58 VanDerWaalsContact NE-OD2 3.16Å; D58-R141 IonicContact OD1-CZ 2.7Å; D58-R141 IonicContact OD1-NE 2.73Å; D58-R141 PolarHBondContact OD1-NE 3.2Å; D58-R141 IonicContact OD1-NH2 3.78Å; D58-R141 IonicContact OD2-CZ 3.97Å; D58-R141 IonicContact OD2-NE 3.75Å; D58-R141 PolarHBondContact OD2-NE 3.28Å; D58-R141 IonicContact OD2-NH2 3.07Å; D58-R141 PolarHBondContact OD2-NH2 3.16Å; D58-R143 HydrophobicContact CB-CG 3.91Å; D58-R143 WeakPolarHBondContact OD1-CG 3.38Å; D58-W174 HydrophobicContact CB-CH2 4.5Å; D58-W174 WeakPolarHBondContact O-CZ2 3.24Å
59	V	98.2	Very high	95.9	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	136.8	-174.6	179.1	0	0	0	0	109.5	V31 I34 V57 V77 R141 V142 I155	V31-V59 HydrophobicContact CG2-CG1 3.73Å; I34-V59 HydrophobicContact CD1-CG2 3.51Å; V57-V59 HydrophobicContact CG2-CG2 4.36Å; V59-V77 HydrophobicContact CG1-CG1 4.22Å; V59-R141 CarbonylContact O-C 3.56Å; V59-R141 WeakPolarHBondContact O-CA 3.23Å; V59-V142 PolarHBondContact N-O 3.26Å; V59-V142 PolarHBondContact O-N 3.25Å; V59-I155 HydrophobicContact CB-CD1 4.43Å; V59-I155 HydrophobicContact CG2-CD1 3.73Å
60	L	98.4	Very high	95.7	Very high	8 Å²	8	47.7 Å²	47.7	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.4	169.6	-178.5	75	0	0	0	107.9	L139 I140 R141 V163 V170 W174	L60-L139 HydrophobicContact CD1-CD1 4.24Å; L60-L139 HydrophobicContact CD1-CD2 4.16Å; L60-L139 HydrophobicContact CD1-CG 4.01Å; L60-L139 HydrophobicContact CG-CD1 4.22Å; L60-I140 WeakPolarHBondContact CA-O 3.16Å; L60-R141 HydrophobicContact CD1-CB 3.95Å; L60-R141 HydrophobicContact CD1-CG 4.49Å; L60-V163 HydrophobicContact CD1-CB 4.47Å; L60-V163 HydrophobicContact CD1-CG2 3.87Å; L60-V170 HydrophobicContact CD2-CG1 4.04Å; L60-W174 HydrophobicContact CB-CD2 3.62Å; L60-W174 HydrophobicContact CB-CE3 3.9Å; L60-W174 HydrophobicContact CB-CG 4.13Å; L60-W174 HydrophobicContact CB-CH2 4.05Å; L60-W174 HydrophobicContact CB-CZ2 3.81Å; L60-W174 HydrophobicContact CB-CZ3 4.1Å; L60-W174 HydrophobicContact CD2-CB 3.7Å; L60-W174 HydrophobicContact CD2-CD2 3.79Å; L60-W174 HydrophobicContact CD2-CE3 3.96Å; L60-W174 HydrophobicContact CD2-CG 3.69Å; L60-W174 HydrophobicContact CG-CD2 4.36Å
61	G	98	Very high	95.8	Very high	4 Å²	4	48.6 Å²	48.6	4%	0.041	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.8	177.8	178.9	0	0	0	0	0	113.2	D78 L139 I140	G61-D78 CarbonylContact C-O 3.57Å; G61-D78 WeakPolarHBondContact CA-O 3.36Å; G61-L139 WeakPolarHBondContact O-CD1 3.42Å; G61-I140 PolarHBondContact N-O 3.32Å; G61-I140 WeakPolarHBondContact O-CG2 3.21Å; G61-I140 PolarHBondContact O-N 3.18Å
62	T	98.4	Very high	95.9	Very high	47 Å²	47	47.7 Å²	47.7	29%	0.288	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	136.8	-179.7	-56.9	0	0	0	0	110	V64 V77 D78	T62-V64 PolarHBondContact O-N 3.44Å; T62-V77 WeakPolarHBondContact O-CA 3.44Å; T62-D78 PolarHBondContact N-O 3.46Å; T62-D78 PolarHBondContact O-N 2.99Å
63	V	98.5	Very high	96	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	111.1	173.1	179.4	0	0	0	0	108.8	Y65 Y75 G76 L134 E135 I136 G137 E138 I140	V63-Y65 WeakPolarHBondContact CG1-O 3.35Å; V63-Y75 HydrophobicContact CG1-CD1 3.7Å; V63-Y75 HydrophobicContact CG1-CE1 4.38Å; V63-Y75 HydrophobicContact CG1-CG 4.45Å; V63-Y75 HydrophobicContact CG2-CD1 4.39Å; V63-G76 WeakPolarHBondContact CA-O 3.49Å; V63-L134 HydrophobicContact CG2-CB 4.3Å; V63-L134 HydrophobicContact CG2-CD2 4.22Å; V63-E135 WeakPolarHBondContact CB-O 3.27Å; V63-I136 HydrophobicContact CG1-CG1 4.5Å; V63-I136 CarbonylContact O-C 3.46Å; V63-I136 WeakPolarHBondContact O-CA 3.4Å; V63-G137 PolarHBondContact O-N 3.34Å; V63-E138 WeakPolarHBondContact CG2-O 3.33Å; V63-E138 PolarHBondContact N-O 3.09Å; V63-I140 HydrophobicContact CG2-CB 3.95Å; V63-I140 HydrophobicContact CG2-CG2 3.71Å
64	V	98.4	Very high	96.1	Very high	61 Å²	61	48 Å²	48	37%	0.37	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-13.8	177.2	-64.6	0	0	0	0	112.6	T62 G76 D78 V83	T62-V64 PolarHBondContact O-N 3.44Å; V64-G76 WeakPolarHBondContact CG2-O 3.4Å; V64-G76 PolarHBondContact N-O 3.47Å; V64-D78 HydrophobicContact CB-CB 4.48Å; V64-D78 HydrophobicContact CG1-CB 3.61Å; V64-D78 HydrophobicContact CG2-CB 4.01Å; V64-V83 HydrophobicContact CG2-CG1 3.65Å; V64-V83 HydrophobicContact CG2-CG2 4.2Å
65	Y	97.6	Very high	96.2	Very high	87 Å²	87	47.9 Å²	47.9	34%	0.341	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.3	178.5	179.5	-106.1	0	0	0	110.4	V63 R67 Y75 G76	V63-Y65 WeakPolarHBondContact CG1-O 3.35Å; Y65-R67 HydrophobicContact CE1-CB 3.69Å; Y65-R67 PolarHBondContact OH-NE 2.9Å; Y65-R67 PolarHBondContact OH-NH2 3.05Å; Y65-Y75 CarbonylContact O-C 3.55Å; Y65-Y75 VanDerWaalsContact O-CA 3.27Å; Y65-Y75 WeakPolarHBondContact O-CA 3.27Å; Y65-G76 PolarHBondContact N-O 3.01Å; Y65-G76 PolarHBondContact O-N 3.27Å
66	K	96.9	Very high	96.3	Very high	46 Å²	46	45.3 Å²	45.3	20%	0.2	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	126.5	174.9	176.2	178.3	178.4	171.3	0	109.5	Y75 H133 L134 E135 I136	K66-Y75 HydrophobicContact CB-CD1 4.13Å; K66-Y75 HydrophobicContact CB-CE1 4.17Å; K66-Y75 HydrophobicContact CD-CE1 3.99Å; K66-Y75 HydrophobicContact CG-CD1 4.14Å; K66-Y75 HydrophobicContact CG-CE1 3.73Å; K66-H133 PolarHBondContact NZ-CE1 3.46Å; K66-H133 PolarHBondContact NZ-NE2 3.34Å; K66-L134 WeakPolarHBondContact CD-O 3.41Å; K66-L134 WeakPolarHBondContact CE-O 3.12Å; K66-L134 PolarHBondContact NZ-O 2.88Å; K66-E135 IonicContact NZ-OE1 3.26Å; K66-E135 PolarHBondContact NZ-OE1 3.19Å; K66-E135 IonicContact NZ-OE2 2.69Å; K66-E135 PolarHBondContact NZ-OE2 3.45Å; K66-I136 HydrophobicContact CB-CG1 4.24Å
67	R	96.1	Very high	96.4	Very high	118 Å²	118	42.8 Å²	42.8	45%	0.445	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	121.6	168.6	179.3	-172.1	-62	177.3	-1.3	109	Y65 C74	Y65-R67 HydrophobicContact CE1-CB 3.69Å; Y65-R67 PolarHBondContact OH-NE 2.9Å; Y65-R67 PolarHBondContact OH-NH2 3.05Å; R67-C74 HydrophobicContact CB-CB 4.2Å; R67-C74 PolarHBondContact N-O 3.48Å; R67-C74 PolarHBondContact O-N 3.14Å
68	E	94.3	Very high	96.4	Very high	105 Å²	105	45.4 Å²	45.4	49%	0.491	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	137.3	176	-174.4	164	-171.7	0	0	111	F73 K90	E68-F73 HydrophobicContact CB-CD1 4.1Å; E68-F73 HydrophobicContact CB-CE1 4.21Å; E68-F73 HydrophobicContact CG-CD1 3.9Å; E68-F73 HydrophobicContact CG-CE1 3.66Å; E68-F73 WeakPolarHBondContact OE1-CE1 3.45Å; E68-K90 IonicContact OE1-NZ 2.66Å; E68-K90 PolarHBondContact OE1-NZ 2.73Å
69	R	92.2	Very high	96.4	Very high	134 Å²	134	47 Å²	47	51%	0.506	22%	0.224	S	C	.	.			trans	-124.7	173.2	167.7	-64.2	-62.4	-168.4	-178.8	0.1	108.5	D71 F72 K90	R69-D71 VanDerWaalsContact C-N 3.34Å; R69-D71 PolarHBondContact O-N 3.34Å; R69-F72 HydrophobicContact CB-CD1 4.25Å; R69-F72 HydrophobicContact CB-CD2 4.43Å; R69-F72 HydrophobicContact CB-CE1 4.05Å; R69-F72 HydrophobicContact CB-CE2 4.23Å; R69-F72 HydrophobicContact CB-CG 4.44Å; R69-F72 HydrophobicContact CB-CZ 4.05Å; R69-F72 WeakPolarHBondContact CB-O 3.49Å; R69-F72 HydrophobicContact CG-CD2 4.48Å; R69-F72 HydrophobicContact CG-CE1 4.22Å; R69-F72 HydrophobicContact CG-CE2 3.86Å; R69-F72 HydrophobicContact CG-CZ 3.73Å; R69-F72 PolarHBondContact N-O 3.32Å; R69-K90 WeakPolarHBondContact O-CE 3.35Å; R69-K90 PolarHBondContact O-NZ 3.42Å
70	D	89.4	Confident	96.3	Very high	143 Å²	143	50.4 Å²	50.4	77%	0.765	26%	0.258	S	S	*	.	S	Bend	trans	-60.1	-45.1	-176.6	-57.6	-29.8	0	0	0	111.7	K90	D70-K90 WeakPolarHBondContact O-CD 3.42Å; D70-K90 PolarHBondContact O-NZ 2.7Å
71	D	91.4	Very high	96.2	Very high	76 Å²	76	52.3 Å²	52.3	41%	0.406	27%	0.27	S	S	.	.	S	Bend	trans	-100.8	-14.4	-173.3	-65.1	-45.4	0	0	0	115.3	R69 W89 K90 K95	R69-D71 VanDerWaalsContact C-N 3.34Å; R69-D71 PolarHBondContact O-N 3.34Å; D71-W89 HydrophobicContact CB-CE3 3.97Å; D71-W89 HydrophobicContact CB-CZ3 3.69Å; D71-K90 PolarHBondContact O-N 3.41Å; D71-K95 IonicContact OD1-NZ 2.98Å; D71-K95 PolarHBondContact OD1-NZ 3.11Å
72	F	93.4	Very high	96.2	Very high	53 Å²	53	52.9 Å²	52.9	23%	0.232	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	158.3	-175.9	64.5	-90.5	0	0	0	113	R69 C74 L87 C88 W89	R69-F72 HydrophobicContact CB-CD1 4.25Å; R69-F72 HydrophobicContact CB-CD2 4.43Å; R69-F72 HydrophobicContact CB-CE1 4.05Å; R69-F72 HydrophobicContact CB-CE2 4.23Å; R69-F72 HydrophobicContact CB-CG 4.44Å; R69-F72 HydrophobicContact CB-CZ 4.05Å; R69-F72 WeakPolarHBondContact CB-O 3.49Å; R69-F72 HydrophobicContact CG-CD2 4.48Å; R69-F72 HydrophobicContact CG-CE1 4.22Å; R69-F72 HydrophobicContact CG-CE2 3.86Å; R69-F72 HydrophobicContact CG-CZ 3.73Å; R69-F72 PolarHBondContact N-O 3.32Å; F72-C74 HydrophobicContact CD2-CB 4.43Å; F72-C74 HydrophobicContact CE2-CB 4.21Å; F72-L87 HydrophobicContact CD2-CD2 4.02Å; F72-L87 HydrophobicContact CE2-CD2 3.71Å; F72-C88 CarbonylContact C-O 3.42Å; F72-C88 WeakPolarHBondContact CA-O 3.25Å; F72-C88 WeakPolarHBondContact CB-O 3.42Å; F72-W89 HydrophobicContact CB-CD2 4.27Å; F72-W89 HydrophobicContact CB-CE3 4.28Å; F72-W89 HydrophobicContact CB-CG 4.49Å; F72-W89 HydrophobicContact CD1-CH2 4.42Å; F72-W89 HydrophobicContact CD1-CZ3 4.31Å
73	F	95.1	Very high	96.1	Very high	6 Å²	6	54 Å²	54	3%	0.026	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	138.3	163.4	-59.7	-78.7	0	0	0	109.3	E68 Y75 C88 K90 H133	E68-F73 HydrophobicContact CB-CD1 4.1Å; E68-F73 HydrophobicContact CB-CE1 4.21Å; E68-F73 HydrophobicContact CG-CD1 3.9Å; E68-F73 HydrophobicContact CG-CE1 3.66Å; E68-F73 WeakPolarHBondContact OE1-CE1 3.45Å; F73-Y75 HydrophobicContact CB-CD2 3.95Å; F73-Y75 HydrophobicContact CB-CE1 4.34Å; F73-Y75 HydrophobicContact CB-CE2 3.36Å; F73-Y75 HydrophobicContact CD2-CE2 4.4Å; F73-Y75 AromaticContact CG-CE2 3.99Å; F73-Y75 HydrophobicContact CG-CE2 3.99Å; F73-Y75 AromaticContact CG-CZ 3.88Å; F73-C88 HydrophobicContact CB-CB 4.33Å; F73-C88 PolarHBondContact N-O 3.01Å; F73-C88 PolarHBondContact O-N 2.89Å; F73-K90 HydrophobicContact CD2-CG 3.91Å; F73-K90 HydrophobicContact CE2-CD 3.92Å; F73-K90 HydrophobicContact CE2-CG 3.58Å; F73-K90 HydrophobicContact CZ-CD 4.05Å; F73-K90 HydrophobicContact CZ-CG 4.23Å; F73-H133 AromaticContact CE1-CE1 3.73Å; F73-H133 AromaticContact CE1-ND1 3.61Å; F73-H133 AromaticContact CZ-CE1 3.86Å; F73-H133 AromaticContact CZ-ND1 3.3Å; F73-H133 VanDerWaalsContact CZ-ND1 3.3Å; F73-H133 WeakPolarHBondContact CZ-ND1 3.2Å
74	C	96.2	Very high	96.1	Very high	7 Å²	7	54.1 Å²	54.1	5%	0.047	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	107.5	168.9	175.6	0	0	0	0	107.5	R67 F72 C86 L87	R67-C74 HydrophobicContact CB-CB 4.2Å; R67-C74 PolarHBondContact N-O 3.48Å; R67-C74 PolarHBondContact O-N 3.14Å; F72-C74 HydrophobicContact CD2-CB 4.43Å; F72-C74 HydrophobicContact CE2-CB 4.21Å; C74-C86 WeakPolarHBondContact CA-O 3.43Å; C74-L87 HydrophobicContact CB-CD2 4.1Å
75	Y	98.4	Very high	96.1	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	130.9	178.3	-65.3	-64.7	0	0	0	109.9	V63 Y65 K66 F73 N85 C86 C88 L134 I140 Y160	V63-Y75 HydrophobicContact CG1-CD1 3.7Å; V63-Y75 HydrophobicContact CG1-CE1 4.38Å; V63-Y75 HydrophobicContact CG1-CG 4.45Å; V63-Y75 HydrophobicContact CG2-CD1 4.39Å; Y65-Y75 CarbonylContact O-C 3.55Å; Y65-Y75 VanDerWaalsContact O-CA 3.27Å; Y65-Y75 WeakPolarHBondContact O-CA 3.27Å; K66-Y75 HydrophobicContact CB-CD1 4.13Å; K66-Y75 HydrophobicContact CB-CE1 4.17Å; K66-Y75 HydrophobicContact CD-CE1 3.99Å; K66-Y75 HydrophobicContact CG-CD1 4.14Å; K66-Y75 HydrophobicContact CG-CE1 3.73Å; F73-Y75 HydrophobicContact CB-CD2 3.95Å; F73-Y75 HydrophobicContact CB-CE1 4.34Å; F73-Y75 HydrophobicContact CB-CE2 3.36Å; F73-Y75 HydrophobicContact CD2-CE2 4.4Å; F73-Y75 AromaticContact CG-CE2 3.99Å; F73-Y75 HydrophobicContact CG-CE2 3.99Å; F73-Y75 AromaticContact CG-CZ 3.88Å; Y75-N85 CarbonylContact O-C 3.57Å; Y75-N85 WeakPolarHBondContact O-CA 3.36Å; Y75-C86 PolarHBondContact N-O 3.4Å; Y75-C86 PolarHBondContact O-N 3.36Å; Y75-C88 HydrophobicContact CD2-CB 4.09Å; Y75-C88 HydrophobicContact CE2-CB 4.19Å; Y75-L134 HydrophobicContact CE1-CB 4.11Å; Y75-L134 WeakPolarHBondContact CE1-O 3.27Å; Y75-L134 HydrophobicContact CE2-CD1 4.09Å; Y75-L134 PolarHBondContact OH-N 2.95Å; Y75-L134 PolarHBondContact OH-O 3.26Å; Y75-I140 HydrophobicContact CD2-CD1 3.92Å; Y75-I140 HydrophobicContact CE2-CD1 4.42Å; Y75-I140 HydrophobicContact CG-CD1 4.43Å; Y75-Y160 HydrophobicContact CE2-CE2 4.49Å
76	G	98.3	Very high	96.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.8	163.8	0	0	0	0	0	108.7	V63 V64 Y65 I84	V63-G76 WeakPolarHBondContact CA-O 3.49Å; V64-G76 WeakPolarHBondContact CG2-O 3.4Å; V64-G76 PolarHBondContact N-O 3.47Å; Y65-G76 PolarHBondContact N-O 3.01Å; Y65-G76 PolarHBondContact O-N 3.27Å; G76-I84 WeakPolarHBondContact CA-O 3.5Å
77	V	98.5	Very high	96.1	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	122.9	-174.6	-176.1	0	0	0	0	109.1	V59 T62 V83 I84 C86 I140 V142	V59-V77 HydrophobicContact CG1-CG1 4.22Å; T62-V77 WeakPolarHBondContact O-CA 3.44Å; V77-V83 WeakPolarHBondContact O-CA 3.32Å; V77-I84 PolarHBondContact N-O 3.42Å; V77-I84 PolarHBondContact O-N 3.24Å; V77-C86 HydrophobicContact CG2-CB 4.08Å; V77-I140 HydrophobicContact CB-CG2 4.32Å; V77-I140 HydrophobicContact CG1-CG2 3.76Å; V77-I140 HydrophobicContact CG2-CG2 3.59Å; V77-V142 HydrophobicContact CG2-CG2 4.36Å
78	D	98.6	Very high	96	Very high	54 Å²	54	42.8 Å²	42.8	29%	0.289	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122	178.5	-170.9	-1.5	0	0	0	110.7	G61 T62 V64 G80 G82 V83	G61-D78 CarbonylContact C-O 3.57Å; G61-D78 WeakPolarHBondContact CA-O 3.36Å; T62-D78 PolarHBondContact N-O 3.46Å; T62-D78 PolarHBondContact O-N 2.99Å; V64-D78 HydrophobicContact CB-CB 4.48Å; V64-D78 HydrophobicContact CG1-CB 3.61Å; V64-D78 HydrophobicContact CG2-CB 4.01Å; D78-G80 WeakPolarHBondContact OD1-CA 3.22Å; D78-G80 PolarHBondContact OD1-N 3.25Å; D78-G82 WeakPolarHBondContact CA-O 3.27Å; D78-V83 HydrophobicContact CB-CG2 3.93Å
79	D	97.2	Very high	95.9	Very high	37 Å²	37	44.2 Å²	44.2	20%	0.198	24%	0.239	C	C	.	.			trans	-103.2	8.1	175.6	77	-16.1	0	0	0	113.2	F30 V31 T81 G82	F30-D79 WeakPolarHBondContact CA-OD2 3.3Å; V31-D79 WeakPolarHBondContact CB-OD1 3.38Å; V31-D79 HydrophobicContact CG2-CB 4.03Å; V31-D79 VanDerWaalsContact CG2-CG 3.47Å; V31-D79 WeakPolarHBondContact CG2-OD2 3.41Å; V31-D79 PolarHBondContact N-OD2 3.28Å; D79-T81 VanDerWaalsContact C-N 3.27Å; D79-T81 VanDerWaalsContact CG-OG1 3.26Å; D79-T81 PolarHBondContact O-N 3.15Å; D79-T81 WeakPolarHBondContact OD1-CA 3.19Å; D79-T81 WeakPolarHBondContact OD1-CB 3.34Å; D79-T81 PolarHBondContact OD1-N 2.78Å; D79-T81 PolarHBondContact OD1-OG1 2.93Å; D79-T81 PolarHBondContact OD2-OG1 3.02Å; D79-G82 PolarHBondContact N-O 2.88Å; D79-G82 PolarHBondContact OD1-N 2.84Å
80	G	96.3	Very high	95.8	Very high	71 Å²	71	39.4 Å²	39.4	73%	0.732	22%	0.222	S	C	*	.	S	Bend	trans	84.6	-8.4	-174.3	0	0	0	0	0	114.2	D78	D78-G80 WeakPolarHBondContact OD1-CA 3.22Å; D78-G80 PolarHBondContact OD1-N 3.25Å
81	T	96.9	Very high	95.3	Very high	48 Å²	48	34.5 Å²	34.5	29%	0.294	20%	0.198	S	C	.	.	S	Bend	trans	-105.3	-24.7	174.3	77.6	0	0	0	0	112.5	F30 V31 R32 D79	F30-T81 HydrophobicContact CB-CG2 4.02Å; F30-T81 HydrophobicContact CD1-CG2 3.56Å; F30-T81 HydrophobicContact CE1-CG2 4.24Å; F30-T81 HydrophobicContact CG-CG2 3.91Å; V31-T81 PolarHBondContact N-OG1 2.9Å; R32-T81 PolarHBondContact N-OG1 3.39Å; D79-T81 VanDerWaalsContact C-N 3.27Å; D79-T81 VanDerWaalsContact CG-OG1 3.26Å; D79-T81 PolarHBondContact O-N 3.15Å; D79-T81 WeakPolarHBondContact OD1-CA 3.19Å; D79-T81 WeakPolarHBondContact OD1-CB 3.34Å; D79-T81 PolarHBondContact OD1-N 2.78Å; D79-T81 PolarHBondContact OD1-OG1 2.93Å; D79-T81 PolarHBondContact OD2-OG1 3.02Å
82	G	97.1	Very high	94.1	Very high	17 Å²	17	36.7 Å²	36.7	18%	0.175	21%	0.21	C	C	.	.			trans	179	176.6	175.1	0	0	0	0	0	111.9	V31 D78 D79	V31-G82 VanDerWaalsContact CG1-C 3.41Å; V31-G82 WeakPolarHBondContact CG1-O 3.39Å; D78-G82 WeakPolarHBondContact CA-O 3.27Å; D79-G82 PolarHBondContact N-O 2.88Å; D79-G82 PolarHBondContact OD1-N 2.84Å
83	V	98.3	Very high	92.4	Very high	71 Å²	71	38 Å²	38	43%	0.43	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	178.9	-174.3	0	0	0	0	110	V64 V77 D78	V64-V83 HydrophobicContact CG2-CG1 3.65Å; V64-V83 HydrophobicContact CG2-CG2 4.2Å; V77-V83 WeakPolarHBondContact O-CA 3.32Å; D78-V83 HydrophobicContact CB-CG2 3.93Å
84	I	98.1	Very high	90.6	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.015	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.6	176.9	-168	161.2	0	0	0	111.9	V31 I34 L35 G76 V77 R153 I155	V31-I84 HydrophobicContact CB-CG2 4.47Å; V31-I84 HydrophobicContact CG1-CB 3.68Å; V31-I84 HydrophobicContact CG1-CG2 3.78Å; V31-I84 HydrophobicContact CG2-CG2 3.83Å; I34-I84 HydrophobicContact CB-CD1 4.49Å; I34-I84 HydrophobicContact CG2-CD1 3.65Å; L35-I84 HydrophobicContact CD2-CD1 4.02Å; L35-I84 HydrophobicContact CD2-CG1 4.25Å; G76-I84 WeakPolarHBondContact CA-O 3.5Å; V77-I84 PolarHBondContact N-O 3.42Å; V77-I84 PolarHBondContact O-N 3.24Å; I84-R153 HydrophobicContact CD1-CB 4.48Å; I84-I155 HydrophobicContact CD1-CD1 3.99Å; I84-I155 HydrophobicContact CD1-CG1 3.85Å; I84-I155 HydrophobicContact CG1-CD1 4.44Å; I84-I155 HydrophobicContact CG1-CG1 4.35Å; I84-I155 HydrophobicContact CG2-CD1 3.94Å
85	N	97.6	Very high	88.7	Confident	43 Å²	43	44 Å²	44	23%	0.23	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.2	175.5	-70.9	-21.9	0	0	0	110.7	Y75 E154 I155	Y75-N85 CarbonylContact O-C 3.57Å; Y75-N85 WeakPolarHBondContact O-CA 3.36Å; N85-E154 HydrophobicContact CB-CB 4.45Å; N85-E154 HydrophobicContact CB-CG 4.1Å; N85-E154 CarbonylContact O-C 3.53Å; N85-E154 VanDerWaalsContact O-CA 3.31Å; N85-E154 WeakPolarHBondContact O-CA 3.49Å; N85-I155 PolarHBondContact O-N 2.98Å
86	C	97.6	Very high	86.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	112.3	179.7	-68.5	0	0	0	0	109.7	C74 Y75 V77 C88 V142 I155	C74-C86 WeakPolarHBondContact CA-O 3.43Å; Y75-C86 PolarHBondContact N-O 3.4Å; Y75-C86 PolarHBondContact O-N 3.36Å; V77-C86 HydrophobicContact CG2-CB 4.08Å; C86-C88 PolarHBondContact O-N 3.29Å; C86-V142 HydrophobicContact CB-CG1 4.03Å; C86-V142 HydrophobicContact CB-CG2 4.1Å; C86-I155 CarbonylContact C-O 3.59Å; C86-I155 WeakPolarHBondContact CA-O 3.46Å
87	L	96.3	Very high	84.4	Confident	30 Å²	30	56.8 Å²	56.8	16%	0.157	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	106	176.7	-56.8	177.3	0	0	0	109.7	F72 C74 I155 A157	F72-L87 HydrophobicContact CD2-CD2 4.02Å; F72-L87 HydrophobicContact CE2-CD2 3.71Å; C74-L87 HydrophobicContact CB-CD2 4.1Å; L87-I155 PolarHBondContact N-O 3.3Å; L87-A157 WeakPolarHBondContact O-CB 3.38Å; L87-A157 PolarHBondContact O-N 2.72Å
88	C	95.4	Very high	81.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	98.6	-172.1	-62.7	0	0	0	0	110.2	F72 F73 Y75 C86 A157 Y160	F72-C88 CarbonylContact C-O 3.42Å; F72-C88 WeakPolarHBondContact CA-O 3.25Å; F72-C88 WeakPolarHBondContact CB-O 3.42Å; F73-C88 HydrophobicContact CB-CB 4.33Å; F73-C88 PolarHBondContact N-O 3.01Å; F73-C88 PolarHBondContact O-N 2.89Å; Y75-C88 HydrophobicContact CD2-CB 4.09Å; Y75-C88 HydrophobicContact CE2-CB 4.19Å; C86-C88 PolarHBondContact O-N 3.29Å; C88-A157 HydrophobicContact CB-CB 4.48Å; C88-Y160 HydrophobicContact CB-CD1 3.73Å; C88-Y160 HydrophobicContact CB-CD2 3.82Å; C88-Y160 HydrophobicContact CB-CE1 3.63Å; C88-Y160 HydrophobicContact CB-CE2 3.69Å; C88-Y160 HydrophobicContact CB-CG 3.84Å
89	W	92.4	Very high	79.1	Confident	136 Å²	136	68.8 Å²	68.8	52%	0.515	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	136.6	-176.8	-67.7	89.5	0	0	0	112.1	D71 F72 S91 Y160	D71-W89 HydrophobicContact CB-CE3 3.97Å; D71-W89 HydrophobicContact CB-CZ3 3.69Å; F72-W89 HydrophobicContact CB-CD2 4.27Å; F72-W89 HydrophobicContact CB-CE3 4.28Å; F72-W89 HydrophobicContact CB-CG 4.49Å; F72-W89 HydrophobicContact CD1-CH2 4.42Å; F72-W89 HydrophobicContact CD1-CZ3 4.31Å; W89-S91 PolarHBondContact O-N 2.89Å; W89-Y160 WeakPolarHBondContact O-CE1 3.36Å; W89-Y160 PolarHBondContact O-OH 3.28Å
90	K	89.5	Confident	76.7	Confident	33 Å²	33	72.9 Å²	72.9	14%	0.143	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-74.6	121.4	173.6	-61.1	-172.8	-166.5	174.1	0	107.9	E68 R69 D70 D71 F73	E68-K90 IonicContact OE1-NZ 2.66Å; E68-K90 PolarHBondContact OE1-NZ 2.73Å; R69-K90 WeakPolarHBondContact O-CE 3.35Å; R69-K90 PolarHBondContact O-NZ 3.42Å; D70-K90 WeakPolarHBondContact O-CD 3.42Å; D70-K90 PolarHBondContact O-NZ 2.7Å; D71-K90 PolarHBondContact O-N 3.41Å; F73-K90 HydrophobicContact CD2-CG 3.91Å; F73-K90 HydrophobicContact CE2-CD 3.92Å; F73-K90 HydrophobicContact CE2-CG 3.58Å; F73-K90 HydrophobicContact CZ-CD 4.05Å; F73-K90 HydrophobicContact CZ-CG 4.23Å
91	S	78.2	Confident	74.2	Confident	39 Å²	39	73.7 Å²	73.7	27%	0.273	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-64.5	147.5	174.6	66.6	0	0	0	0	110.4	W89 L93 L94	W89-S91 PolarHBondContact O-N 2.89Å; S91-L93 PolarHBondContact O-N 2.73Å; S91-L94 WeakPolarHBondContact O-CB 3.4Å; S91-L94 PolarHBondContact O-N 2.86Å; S91-L94 WeakPolarHBondContact OG-CG 3.37Å
92	N	67.5	Low	71.7	Confident	122 Å²	122	80.8 Å²	80.8	65%	0.652	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-55.2	-26.9	174.7	-63.7	-21.1	0	0	0	112.8	L94 K95 E96	N92-L94 PolarHBondContact O-N 3.41Å; N92-K95 PolarHBondContact O-N 3.31Å; N92-E96 PolarHBondContact O-N 3.4Å
93	L	58	Low	68.9	Low	80 Å²	80	84.6 Å²	84.6	42%	0.419	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-63.6	-17.4	173.9	-62	172	0	0	0	114.2	S91	S91-L93 PolarHBondContact O-N 2.73Å
94	L	56.6	Low	66.3	Low	40 Å²	40	85 Å²	85	21%	0.209	46%	0.456	C	S	.	.	G	3₁₀ helix	trans	-93.7	-12.9	173.7	-59.8	173.4	0	0	0	112.4	S91 N92 R129 C132	S91-L94 WeakPolarHBondContact O-CB 3.4Å; S91-L94 PolarHBondContact O-N 2.86Å; S91-L94 WeakPolarHBondContact OG-CG 3.37Å; N92-L94 PolarHBondContact O-N 3.41Å; L94-R129 HydrophobicContact CD2-CB 3.46Å; L94-R129 VanDerWaalsContact CD2-CB 3.46Å; L94-R129 HydrophobicContact CD2-CG 3.73Å; L94-C132 HydrophobicContact CD1-CB 4.42Å
95	K	56.4	Low	63.5	Low	99 Å²	99	90 Å²	90	43%	0.43	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-18	-177	-64.8	-176.8	172.6	-174.2	0	112.9	D71 N92 E97	D71-K95 IonicContact OD1-NZ 2.98Å; D71-K95 PolarHBondContact OD1-NZ 3.11Å; N92-K95 PolarHBondContact O-N 3.31Å; K95-E97 PolarHBondContact O-N 3.18Å
96	E	52.7	Low	61.1	Low	119 Å²	119	98 Å²	98	56%	0.556	52%	0.52	S	S	*	.			trans	-75.1	74.8	171.7	-72.1	178.4	-172.1	0	0	110.9	N92 R125	N92-E96 PolarHBondContact O-N 3.4Å; E96-R125 IonicContact OE2-CZ 3.19Å; E96-R125 IonicContact OE2-NH1 2.66Å; E96-R125 PolarHBondContact OE2-NH1 2.95Å; E96-R125 IonicContact OE2-NH2 3.04Å; E96-R125 PolarHBondContact OE2-NH2 2.81Å
97	E	53.6	Low	58.4	Low	150 Å²	150	105.9 Å²	105.9	70%	0.701	56%	0.556	S	S	*	*			trans	-102	55.2	152.5	-70.1	-148.6	167.1	0	0	109.3	K95 R129	K95-E97 PolarHBondContact O-N 3.18Å; E97-R129 IonicContact OE1-CZ 3.61Å; E97-R129 IonicContact OE1-NH1 3.99Å; E97-R129 PolarHBondContact OE1-NH1 2.83Å
98	E	43.5	Very low	56.1	Low	187 Å²	187	109 Å²	109	87%	0.874	58%	0.581	S	S	*	*			trans	-92	104.8	162.3	-77.8	-159	158.4	0	0	109.5
99	D	43.2	Very low	53.6	Low	120 Å²	120	116.2 Å²	116.2	64%	0.642	62%	0.619	S	S	*	*			trans	-2.7	116.5	158.7	-118.8	-32.1	0	0	0	115.8	S101	D99-S101 WeakPolarHBondContact CB-OG 3.49Å; D99-S101 PolarHBondContact O-N 3.19Å
100	P	46.3	Very low	51.6	Low	122 Å²	122	114.7 Å²	114.7	79%	0.792	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	5.7	174.9	29.1	-32.9	0	0	0	113.3	K102	P100-K102 VanDerWaalsContact C-N 3.32Å; P100-K102 PolarHBondContact O-N 2.87Å
101	S	44.2	Very low	49.5	Very low	88 Å²	88	116.9 Å²	116.9	62%	0.615	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-2.3	-177.8	56.3	0	0	0	0	114.5	D99	D99-S101 WeakPolarHBondContact CB-OG 3.49Å; D99-S101 PolarHBondContact O-N 3.19Å
102	K	43.1	Very low	48.4	Very low	197 Å²	197	124.8 Å²	124.8	86%	0.857	69%	0.693	S	S	*	*	S	Bend	trans	-111.7	-6.7	-176.8	-79.1	-173.3	179.4	174.6	0	118	P100	P100-K102 VanDerWaalsContact C-N 3.32Å; P100-K102 PolarHBondContact O-N 2.87Å
103	S	39.4	Very low	47.8	Very low	98 Å²	98	123 Å²	123	69%	0.685	70%	0.703	S	S	*	*			trans	-108.6	80.3	170.9	56.3	0	0	0	0	111	T105	S103-T105 PolarHBondContact O-N 3.04Å
104	G	43.2	Very low	48	Very low	79 Å²	79	121.9 Å²	121.9	81%	0.814	71%	0.711	S	S	*	*			trans	-63.9	99.3	165.2	0	0	0	0	0	110.2
105	T	38.2	Very low	49	Very low	108 Å²	108	127.5 Å²	127.5	66%	0.663	73%	0.734	S	S	*	*			trans	-145.3	95.5	158.6	-31.5	0	0	0	0	108.2	S103 H107	S103-T105 PolarHBondContact O-N 3.04Å; T105-H107 PolarHBondContact O-N 2.66Å
106	K	47.4	Very low	50.5	Low	210 Å²	210	126.9 Å²	126.9	91%	0.913	74%	0.735	S	S	*	*			trans	-67.5	113.8	168.7	-70.9	179.6	176.6	179.6	0	107.5
107	H	40.8	Very low	52.2	Low	167 Å²	167	127.2 Å²	127.2	77%	0.773	74%	0.74	S	S	*	*			trans	-110.3	114.6	158.1	-82	-69.5	0	0	0	108.9	T105	T105-H107 PolarHBondContact O-N 2.66Å
108	S	49	Very low	53.9	Low	96 Å²	96	123.9 Å²	123.9	67%	0.671	73%	0.73	S	S	*	*			trans	-62.7	128.8	164.1	49.8	0	0	0	0	109.9
109	D	42.8	Very low	56	Low	151 Å²	151	116 Å²	116	81%	0.807	70%	0.697	S	S	*	*				156.7	116.1	115.9	-83.3	-25.1	0	0	0	109.3	A111	D109-A111 PolarHBondContact O-N 2.71Å
110	A	50.4	Low	58.3	Low	103 Å²	103	113.6 Å²	113.6	85%	0.851	68%	0.682	S	S	*	*			trans	-69.6	107.4	174.2	0	0	0	0	0	109.1
111	A	46.1	Very low	60.3	Low	80 Å²	80	111.7 Å²	111.7	66%	0.661	66%	0.664	S	S	*	*			trans	-99.9	102	154.5	0	0	0	0	0	107.5	D109 G113 G114	D109-A111 PolarHBondContact O-N 2.71Å; A111-G113 PolarHBondContact O-N 3.12Å; A111-G114 PolarHBondContact O-N 3.39Å
112	E	53.1	Low	62.4	Low	205 Å²	205	114.7 Å²	114.7	96%	0.958	66%	0.662	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	99.5	172	-74.6	-179.8	145.9	0	0	109.3
113	G	56.7	Low	64.6	Low	84 Å²	84	110.3 Å²	110.3	87%	0.866	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	129.9	-3.1	179.2	0	0	0	0	0	115.9	A111	A111-G113 PolarHBondContact O-N 3.12Å
114	G	61.6	Low	66.9	Low	57 Å²	57	110.6 Å²	110.6	59%	0.588	64%	0.636	S	S	*	*			trans	-82.5	134.1	178.3	0	0	0	0	0	114	A111 D116	A111-G114 PolarHBondContact O-N 3.39Å; G114-D116 PolarHBondContact O-N 3.31Å; G114-D116 VanDerWaalsContact O-N 3.08Å
115	F	77.1	Confident	69	Low	158 Å²	158	111.1 Å²	111.1	69%	0.693	61%	0.614	S	S	*	*			trans	-61.5	105.8	170	-177.6	-92.7	0	0	0	110.1	L117 E120	F115-L117 HydrophobicContact CE1-CD1 4.21Å; F115-L117 PolarHBondContact O-N 3.09Å; F115-E120 HydrophobicContact CD2-CG 4.17Å; F115-E120 HydrophobicContact CE1-CB 4.07Å; F115-E120 HydrophobicContact CE1-CG 4.09Å; F115-E120 HydrophobicContact CE2-CB 4.27Å; F115-E120 HydrophobicContact CE2-CG 3.59Å; F115-E120 HydrophobicContact CZ-CB 3.7Å; F115-E120 HydrophobicContact CZ-CG 3.54Å
116	D	87.6	Confident	71.4	Confident	85 Å²	85	111.5 Å²	111.5	46%	0.455	61%	0.608	S	S	.	*			trans	-74	96.8	173.9	178.5	-0.4	0	0	0	109.9	G114 V118 A119 E120	G114-D116 PolarHBondContact O-N 3.31Å; G114-D116 VanDerWaalsContact O-N 3.08Å; D116-V118 PolarHBondContact O-N 3.15Å; D116-V118 WeakPolarHBondContact OD1-CA 3.24Å; D116-V118 WeakPolarHBondContact OD1-CB 3.33Å; D116-V118 PolarHBondContact OD1-N 2.89Å; D116-A119 HydrophobicContact CB-CB 3.93Å; D116-A119 VanDerWaalsContact CG-CB 3.5Å; D116-A119 PolarHBondContact O-N 3.38Å; D116-A119 PolarHBondContact OD1-N 3.12Å; D116-A119 VanDerWaalsContact OD1-N 3.08Å; D116-A119 WeakPolarHBondContact OD2-CB 3.34Å; D116-E120 WeakPolarHBondContact O-CG 3.22Å; D116-E120 PolarHBondContact O-N 3.47Å
117	L	88.6	Confident	73.2	Confident	127 Å²	127	109 Å²	109	67%	0.665	60%	0.597	S	S	*	*	H	α-helix	trans	-53.2	-36	177.5	-166.9	95.7	0	0	0	112.2	F115 L121	F115-L117 HydrophobicContact CE1-CD1 4.21Å; F115-L117 PolarHBondContact O-N 3.09Å; L117-L121 VanDerWaalsContact O-CB 3.27Å; L117-L121 WeakPolarHBondContact O-CB 3.45Å; L117-L121 PolarHBondContact O-N 2.66Å
118	V	89.2	Confident	75.4	Confident	80 Å²	80	104.1 Å²	104.1	49%	0.485	58%	0.575	S	S	.	*	H	α-helix	trans	-75.7	-44	-177.2	-172	0	0	0	0	110.3	D116 E120 L121 R122	D116-V118 PolarHBondContact O-N 3.15Å; D116-V118 WeakPolarHBondContact OD1-CA 3.24Å; D116-V118 WeakPolarHBondContact OD1-CB 3.33Å; D116-V118 PolarHBondContact OD1-N 2.89Å; V118-E120 VanDerWaalsContact C-N 3.34Å; V118-L121 PolarHBondContact O-N 2.93Å; V118-R122 VanDerWaalsContact CG1-NH2 3.25Å; V118-R122 WeakPolarHBondContact O-CG 3.36Å; V118-R122 PolarHBondContact O-N 3.33Å
119	A	89	Confident	77.1	Confident	21 Å²	21	105.8 Å²	105.8	17%	0.174	57%	0.566	C	S	.	*	H	α-helix	trans	-62.4	-41.4	173.6	0	0	0	0	0	112.1	D116 R122 K123	D116-A119 HydrophobicContact CB-CB 3.93Å; D116-A119 VanDerWaalsContact CG-CB 3.5Å; D116-A119 PolarHBondContact O-N 3.38Å; D116-A119 PolarHBondContact OD1-N 3.12Å; D116-A119 VanDerWaalsContact OD1-N 3.08Å; D116-A119 WeakPolarHBondContact OD2-CB 3.34Å; A119-R122 PolarHBondContact O-N 3.3Å; A119-K123 WeakPolarHBondContact O-CG 3.3Å; A119-K123 PolarHBondContact O-N 3.22Å
120	E	90.3	Very high	79.2	Confident	70 Å²	70	105.2 Å²	105.2	33%	0.327	56%	0.557	S	S	.	*	H	α-helix	trans	-67.2	-37.8	177.2	-72.1	-62.1	145.1	0	0	112.4	F115 D116 V118 R122 K123 L124	F115-E120 HydrophobicContact CD2-CG 4.17Å; F115-E120 HydrophobicContact CE1-CB 4.07Å; F115-E120 HydrophobicContact CE1-CG 4.09Å; F115-E120 HydrophobicContact CE2-CB 4.27Å; F115-E120 HydrophobicContact CE2-CG 3.59Å; F115-E120 HydrophobicContact CZ-CB 3.7Å; F115-E120 HydrophobicContact CZ-CG 3.54Å; D116-E120 WeakPolarHBondContact O-CG 3.22Å; D116-E120 PolarHBondContact O-N 3.47Å; V118-E120 VanDerWaalsContact C-N 3.34Å; E120-R122 PolarHBondContact O-N 2.64Å; E120-K123 PolarHBondContact O-N 3.33Å; E120-K123 IonicContact OE1-NZ 2.89Å; E120-K123 PolarHBondContact OE1-NZ 2.52Å; E120-L124 WeakPolarHBondContact O-CB 3.26Å; E120-L124 PolarHBondContact O-N 3.43Å
121	L	88.5	Confident	81	Confident	81 Å²	81	106.7 Å²	106.7	42%	0.424	54%	0.54	S	S	.	.	H	α-helix	trans	-63.1	-41.2	172	-173.7	65.4	0	0	0	112	L117 V118 L124 R125	L117-L121 VanDerWaalsContact O-CB 3.27Å; L117-L121 WeakPolarHBondContact O-CB 3.45Å; L117-L121 PolarHBondContact O-N 2.66Å; V118-L121 PolarHBondContact O-N 2.93Å; L121-L124 PolarHBondContact O-N 3.4Å; L121-R125 WeakPolarHBondContact O-CG 3.48Å; L121-R125 PolarHBondContact O-N 2.94Å
122	R	88.4	Confident	82.9	Confident	152 Å²	152	103.9 Å²	103.9	57%	0.574	52%	0.515	S	S	*	.	H	α-helix	trans	-62	-45.6	174.3	-72.4	-174.3	-136.6	111.5	-0	111.6	V118 A119 E120 L124 R125 Q126	V118-R122 VanDerWaalsContact CG1-NH2 3.25Å; V118-R122 WeakPolarHBondContact O-CG 3.36Å; V118-R122 PolarHBondContact O-N 3.33Å; A119-R122 PolarHBondContact O-N 3.3Å; E120-R122 PolarHBondContact O-N 2.64Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 2.98Å; R122-R125 PolarHBondContact O-N 3.36Å; R122-Q126 PolarHBondContact O-N 3.15Å
123	K	89.2	Confident	84.7	Confident	104 Å²	104	97.1 Å²	97.1	45%	0.452	48%	0.484	S	S	.	.	H	α-helix	trans	-59.7	-42.5	175.8	-71.3	174.3	-168	171.1	0	111.4	A119 E120 Q126 K127	A119-K123 WeakPolarHBondContact O-CG 3.3Å; A119-K123 PolarHBondContact O-N 3.22Å; E120-K123 PolarHBondContact O-N 3.33Å; E120-K123 IonicContact OE1-NZ 2.89Å; E120-K123 PolarHBondContact OE1-NZ 2.52Å; K123-Q126 PolarHBondContact O-N 2.92Å; K123-K127 WeakPolarHBondContact O-CG 3.46Å; K123-K127 PolarHBondContact O-N 2.95Å
124	L	88.6	Confident	86.5	Confident	104 Å²	104	93.1 Å²	93.1	55%	0.545	44%	0.442	S	S	.	.	H	α-helix	trans	-61.9	-48.5	177.1	-178.6	65.3	0	0	0	111.5	E120 L121 R122 Q126 K127 Q128	E120-L124 WeakPolarHBondContact O-CB 3.26Å; E120-L124 PolarHBondContact O-N 3.43Å; L121-L124 PolarHBondContact O-N 3.4Å; R122-L124 VanDerWaalsContact C-N 3.32Å; R122-L124 PolarHBondContact O-N 2.98Å; L124-Q126 VanDerWaalsContact C-N 3.32Å; L124-Q126 PolarHBondContact O-N 3.27Å; L124-K127 PolarHBondContact O-N 3.2Å; L124-Q128 WeakPolarHBondContact O-CB 3.44Å; L124-Q128 PolarHBondContact O-N 3.14Å
125	R	86.9	Confident	88.2	Confident	91 Å²	91	94.8 Å²	94.8	34%	0.343	44%	0.435	S	S	.	.	H	α-helix	trans	-57.8	-44.1	176.5	-72.8	175.3	-178.6	-149.8	-4.9	111.5	E96 L121 R122 Q128 R129	E96-R125 IonicContact OE2-CZ 3.19Å; E96-R125 IonicContact OE2-NH1 2.66Å; E96-R125 PolarHBondContact OE2-NH1 2.95Å; E96-R125 IonicContact OE2-NH2 3.04Å; E96-R125 PolarHBondContact OE2-NH2 2.81Å; L121-R125 WeakPolarHBondContact O-CG 3.48Å; L121-R125 PolarHBondContact O-N 2.94Å; R122-R125 PolarHBondContact O-N 3.36Å; R125-Q128 PolarHBondContact O-N 2.86Å; R125-R129 WeakPolarHBondContact O-CB 3.34Å; R125-R129 PolarHBondContact O-N 3.12Å
126	Q	87.1	Confident	89.2	Confident	116 Å²	116	92.5 Å²	92.5	54%	0.542	43%	0.429	S	S	.	.	H	α-helix	trans	-64.7	-41.8	177.9	-165.8	-177.4	19.1	0	0	112.2	R122 K123 L124 R129 K130	R122-Q126 PolarHBondContact O-N 3.15Å; K123-Q126 PolarHBondContact O-N 2.92Å; L124-Q126 VanDerWaalsContact C-N 3.32Å; L124-Q126 PolarHBondContact O-N 3.27Å; Q126-R129 PolarHBondContact O-N 2.98Å; Q126-K130 WeakPolarHBondContact O-CG 3.5Å; Q126-K130 PolarHBondContact O-N 3.01Å
127	K	87.2	Confident	89.6	Confident	156 Å²	156	91.2 Å²	91.2	68%	0.678	44%	0.435	S	S	*	.	H	α-helix	trans	-63.2	-43.3	174.5	-76.9	-178.2	177.8	179.7	0	111.7	K123 L124 R129 K130 R131	K123-K127 WeakPolarHBondContact O-CG 3.46Å; K123-K127 PolarHBondContact O-N 2.95Å; L124-K127 PolarHBondContact O-N 3.2Å; K127-R129 VanDerWaalsContact C-N 3.35Å; K127-R129 PolarHBondContact O-N 3.2Å; K127-K130 PolarHBondContact O-N 3.07Å; K127-R131 WeakPolarHBondContact O-CB 3.38Å; K127-R131 PolarHBondContact O-N 3.06Å
128	Q	85.9	Confident	90	Very high	66 Å²	66	87.3 Å²	87.3	31%	0.308	41%	0.413	S	S	.	.	H	α-helix	trans	-62.5	-42.4	177.1	-173.4	175.8	0.9	0	0	111.6	L124 R125 R131 C132	L124-Q128 WeakPolarHBondContact O-CB 3.44Å; L124-Q128 PolarHBondContact O-N 3.14Å; R125-Q128 PolarHBondContact O-N 2.86Å; Q128-R131 WeakPolarHBondContact O-CB 3.34Å; Q128-R131 PolarHBondContact O-N 3.16Å; Q128-R131 VanDerWaalsContact O-N 3.13Å; Q128-C132 PolarHBondContact O-N 3.09Å; Q128-C132 PolarHBondContact O-SG 3.3Å
129	R	84.8	Confident	90.4	Very high	130 Å²	130	84.2 Å²	84.2	49%	0.491	39%	0.394	S	S	.	.	H	α-helix	trans	-60.4	-47.4	174.6	177.8	168.7	144.7	-179.4	-3.2	112.5	L94 E97 R125 Q126 K127 R131 C132 H133	L94-R129 HydrophobicContact CD2-CB 3.46Å; L94-R129 VanDerWaalsContact CD2-CB 3.46Å; L94-R129 HydrophobicContact CD2-CG 3.73Å; E97-R129 IonicContact OE1-CZ 3.61Å; E97-R129 IonicContact OE1-NH1 3.99Å; E97-R129 PolarHBondContact OE1-NH1 2.83Å; R125-R129 WeakPolarHBondContact O-CB 3.34Å; R125-R129 PolarHBondContact O-N 3.12Å; Q126-R129 PolarHBondContact O-N 2.98Å; K127-R129 VanDerWaalsContact C-N 3.35Å; K127-R129 PolarHBondContact O-N 3.2Å; R129-R131 PolarHBondContact O-N 3.39Å; R129-C132 PolarHBondContact O-N 3.46Å; R129-H133 WeakPolarHBondContact O-CB 3.4Å; R129-H133 PolarHBondContact O-N 3.3Å
130	K	86.4	Confident	90.9	Very high	140 Å²	140	83.2 Å²	83.2	61%	0.609	39%	0.386	S	S	*	.	H	α-helix	trans	-60.5	-30.5	175	-72.4	-178.2	178.8	-174.1	0	112.6	Q126 K127	Q126-K130 WeakPolarHBondContact O-CG 3.5Å; Q126-K130 PolarHBondContact O-N 3.01Å; K127-K130 PolarHBondContact O-N 3.07Å
131	R	87.8	Confident	91.2	Very high	134 Å²	134	82.1 Å²	82.1	51%	0.506	38%	0.379	S	S	.	.	H	α-helix	trans	-79.2	-26.7	179.2	-172	170.4	-178.8	-178.4	-0.4	113.3	K127 Q128 R129 Y161 K162	K127-R131 WeakPolarHBondContact O-CB 3.38Å; K127-R131 PolarHBondContact O-N 3.06Å; Q128-R131 WeakPolarHBondContact O-CB 3.34Å; Q128-R131 PolarHBondContact O-N 3.16Å; Q128-R131 VanDerWaalsContact O-N 3.13Å; R129-R131 PolarHBondContact O-N 3.39Å; R131-Y161 CarbonylContact O-C 3.55Å; R131-Y161 WeakPolarHBondContact O-CA 3.4Å; R131-K162 PolarHBondContact O-N 3.49Å
132	C	87.3	Confident	91.7	Very high	20 Å²	20	78.2 Å²	78.2	14%	0.135	36%	0.358	C	S	.	.	H	α-helix	trans	-109.3	2.5	-176.9	-60.7	0	0	0	0	113.6	L94 Q128 R129 Y160	L94-C132 HydrophobicContact CD1-CB 4.42Å; Q128-C132 PolarHBondContact O-N 3.09Å; Q128-C132 PolarHBondContact O-SG 3.3Å; R129-C132 PolarHBondContact O-N 3.46Å; C132-Y160 HydrophobicContact CB-CE2 3.96Å; C132-Y160 VanDerWaalsContact O-CE2 3.27Å; C132-Y160 WeakPolarHBondContact O-CE2 3.26Å
133	H	91.2	Very high	92.2	Very high	64 Å²	64	75.1 Å²	75.1	30%	0.296	35%	0.347	S	S	.	.			trans	-115.2	111.3	172	-169.9	86.7	0	0	0	108.9	K66 F73 R129 E135	K66-H133 PolarHBondContact NZ-CE1 3.46Å; K66-H133 PolarHBondContact NZ-NE2 3.34Å; F73-H133 AromaticContact CE1-CE1 3.73Å; F73-H133 AromaticContact CE1-ND1 3.61Å; F73-H133 AromaticContact CZ-CE1 3.86Å; F73-H133 AromaticContact CZ-ND1 3.3Å; F73-H133 VanDerWaalsContact CZ-ND1 3.3Å; F73-H133 WeakPolarHBondContact CZ-ND1 3.2Å; R129-H133 WeakPolarHBondContact O-CB 3.4Å; R129-H133 PolarHBondContact O-N 3.3Å; H133-E135 IonicContact CD2-OE1 2.87Å; H133-E135 IonicContact NE2-OE1 3.46Å; H133-E135 PolarHBondContact NE2-OE1 3.08Å
134	L	94.4	Very high	92.6	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.325	C	S	.	.			trans	-112.8	151.1	-175.4	-61.1	93.4	0	0	0	112.3	V63 K66 Y75 E138 I140 Y160 K162	V63-L134 HydrophobicContact CG2-CB 4.3Å; V63-L134 HydrophobicContact CG2-CD2 4.22Å; K66-L134 WeakPolarHBondContact CD-O 3.41Å; K66-L134 WeakPolarHBondContact CE-O 3.12Å; K66-L134 PolarHBondContact NZ-O 2.88Å; Y75-L134 HydrophobicContact CE1-CB 4.11Å; Y75-L134 WeakPolarHBondContact CE1-O 3.27Å; Y75-L134 HydrophobicContact CE2-CD1 4.09Å; Y75-L134 PolarHBondContact OH-N 2.95Å; Y75-L134 PolarHBondContact OH-O 3.26Å; L134-E138 WeakPolarHBondContact CA-OE2 3.35Å; L134-I140 HydrophobicContact CD1-CD1 3.94Å; L134-I140 HydrophobicContact CD1-CG1 4.34Å; L134-I140 HydrophobicContact CD2-CB 3.51Å; L134-I140 HydrophobicContact CD2-CD1 3.82Å; L134-I140 HydrophobicContact CD2-CG1 3.57Å; L134-I140 HydrophobicContact CG-CD1 4.48Å; L134-Y160 HydrophobicContact CD1-CD2 4.2Å; L134-Y160 HydrophobicContact CD1-CE2 4.36Å; L134-K162 HydrophobicContact CD2-CB 3.86Å; L134-K162 HydrophobicContact CD2-CG 4.37Å; L134-K162 HydrophobicContact CG-CB 4.03Å
135	E	96	Very high	93	Very high	91 Å²	91	66.7 Å²	66.7	43%	0.425	31%	0.309	S	S	.	.			trans	-108.7	164.9	172.4	-62.1	-55.6	156.7	0	0	112.6	V63 K66 H133 G137 E138	V63-E135 WeakPolarHBondContact CB-O 3.27Å; K66-E135 IonicContact NZ-OE1 3.26Å; K66-E135 PolarHBondContact NZ-OE1 3.19Å; K66-E135 IonicContact NZ-OE2 2.69Å; K66-E135 PolarHBondContact NZ-OE2 3.45Å; H133-E135 IonicContact CD2-OE1 2.87Å; H133-E135 IonicContact NE2-OE1 3.46Å; H133-E135 PolarHBondContact NE2-OE1 3.08Å; E135-G137 PolarHBondContact O-N 2.78Å; E135-E138 HydrophobicContact CB-CG 4.28Å; E135-E138 PolarHBondContact N-OE2 3.46Å; E135-E138 WeakPolarHBondContact O-CB 3.29Å; E135-E138 PolarHBondContact O-N 3.41Å
136	I	97.9	Very high	93.4	Very high	111 Å²	111	62.5 Å²	62.5	57%	0.569	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	136.1	175.1	-62.5	175.6	0	0	0	109.4	V63 K66 E138	V63-I136 HydrophobicContact CG1-CG1 4.5Å; V63-I136 CarbonylContact O-C 3.46Å; V63-I136 WeakPolarHBondContact O-CA 3.4Å; K66-I136 HydrophobicContact CB-CG1 4.24Å; I136-E138 VanDerWaalsContact C-N 3.34Å
137	G	97.1	Very high	93.7	Very high	57 Å²	57	62.5 Å²	62.5	59%	0.588	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	-8.6	-175.6	0	0	0	0	0	114	V63 E135	V63-G137 PolarHBondContact O-N 3.34Å; E135-G137 PolarHBondContact O-N 2.78Å
138	E	97.4	Very high	93.9	Very high	45 Å²	45	57.6 Å²	57.6	21%	0.21	28%	0.275	C	S	.	.			trans	-83.6	149.8	176.6	-60.8	-169.9	137.9	0	0	112.2	V63 L134 E135 I136 K162	V63-E138 WeakPolarHBondContact CG2-O 3.33Å; V63-E138 PolarHBondContact N-O 3.09Å; L134-E138 WeakPolarHBondContact CA-OE2 3.35Å; E135-E138 HydrophobicContact CB-CG 4.28Å; E135-E138 PolarHBondContact N-OE2 3.46Å; E135-E138 WeakPolarHBondContact O-CB 3.29Å; E135-E138 PolarHBondContact O-N 3.41Å; I136-E138 VanDerWaalsContact C-N 3.34Å; E138-K162 WeakPolarHBondContact OE1-CE 3.22Å; E138-K162 IonicContact OE1-NZ 3.89Å; E138-K162 PolarHBondContact OE1-NZ 2.89Å
139	L	97.8	Very high	93.8	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.079	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	128	177.4	-170.2	71.1	0	0	0	110.3	L60 G61 V163 D165 Q171	L60-L139 HydrophobicContact CD1-CD1 4.24Å; L60-L139 HydrophobicContact CD1-CD2 4.16Å; L60-L139 HydrophobicContact CD1-CG 4.01Å; L60-L139 HydrophobicContact CG-CD1 4.22Å; G61-L139 WeakPolarHBondContact O-CD1 3.42Å; L139-V163 HydrophobicContact CB-CB 4.33Å; L139-V163 HydrophobicContact CD2-CB 3.78Å; L139-V163 HydrophobicContact CD2-CG1 3.72Å; L139-V163 HydrophobicContact CG-CB 4.01Å; L139-V163 HydrophobicContact CG-CG1 4.48Å; L139-V163 PolarHBondContact O-N 2.84Å; L139-D165 HydrophobicContact CD2-CB 3.72Å; L139-Q171 HydrophobicContact CD1-CG 3.82Å; L139-Q171 HydrophobicContact CD2-CG 3.7Å; L139-Q171 HydrophobicContact CG-CG 4.46Å
140	I	97.9	Very high	93.7	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	140.8	179.5	-166.6	174.1	0	0	0	110.8	L60 G61 V63 Y75 V77 L134 V142 Y160	L60-I140 WeakPolarHBondContact CA-O 3.16Å; G61-I140 PolarHBondContact N-O 3.32Å; G61-I140 WeakPolarHBondContact O-CG2 3.21Å; G61-I140 PolarHBondContact O-N 3.18Å; V63-I140 HydrophobicContact CG2-CB 3.95Å; V63-I140 HydrophobicContact CG2-CG2 3.71Å; Y75-I140 HydrophobicContact CD2-CD1 3.92Å; Y75-I140 HydrophobicContact CE2-CD1 4.42Å; Y75-I140 HydrophobicContact CG-CD1 4.43Å; V77-I140 HydrophobicContact CB-CG2 4.32Å; V77-I140 HydrophobicContact CG1-CG2 3.76Å; V77-I140 HydrophobicContact CG2-CG2 3.59Å; L134-I140 HydrophobicContact CD1-CD1 3.94Å; L134-I140 HydrophobicContact CD1-CG1 4.34Å; L134-I140 HydrophobicContact CD2-CB 3.51Å; L134-I140 HydrophobicContact CD2-CD1 3.82Å; L134-I140 HydrophobicContact CD2-CG1 3.57Å; L134-I140 HydrophobicContact CG-CD1 4.48Å; I140-V142 HydrophobicContact CD1-CG2 3.62Å; I140-V142 HydrophobicContact CG1-CG2 3.75Å; I140-V142 HydrophobicContact CG2-CG2 4.26Å; I140-Y160 HydrophobicContact CD1-CD2 4.35Å
141	R	98.1	Very high	93.5	Very high	47 Å²	47	64.4 Å²	64.4	18%	0.177	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	129.2	162.7	-171.9	171.6	176	177.4	6.5	109.8	D58 V59 L60 Y160 Y161 V163	D58-R141 IonicContact OD1-CZ 2.7Å; D58-R141 IonicContact OD1-NE 2.73Å; D58-R141 PolarHBondContact OD1-NE 3.2Å; D58-R141 IonicContact OD1-NH2 3.78Å; D58-R141 IonicContact OD2-CZ 3.97Å; D58-R141 IonicContact OD2-NE 3.75Å; D58-R141 PolarHBondContact OD2-NE 3.28Å; D58-R141 IonicContact OD2-NH2 3.07Å; D58-R141 PolarHBondContact OD2-NH2 3.16Å; V59-R141 CarbonylContact O-C 3.56Å; V59-R141 WeakPolarHBondContact O-CA 3.23Å; L60-R141 HydrophobicContact CD1-CB 3.95Å; L60-R141 HydrophobicContact CD1-CG 4.49Å; R141-Y160 VanDerWaalsContact O-CA 3.24Å; R141-Y160 WeakPolarHBondContact O-CA 3.36Å; R141-Y161 HydrophobicContact CB-CE2 4.36Å; R141-Y161 WeakPolarHBondContact CD-OH 3.44Å; R141-Y161 PolarHBondContact N-O 2.88Å; R141-Y161 VanDerWaalsContact N-O 3.07Å; R141-Y161 PolarHBondContact O-N 3.25Å; R141-Y161 VanDerWaalsContact O-N 3.17Å; R141-V163 HydrophobicContact CB-CG2 3.79Å
142	V	98.1	Very high	93.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	126.7	-178.4	-174.8	0	0	0	0	109.6	V59 V77 C86 I140 I155 A157	V59-V142 PolarHBondContact N-O 3.26Å; V59-V142 PolarHBondContact O-N 3.25Å; V77-V142 HydrophobicContact CG2-CG2 4.36Å; C86-V142 HydrophobicContact CB-CG1 4.03Å; C86-V142 HydrophobicContact CB-CG2 4.1Å; I140-V142 HydrophobicContact CD1-CG2 3.62Å; I140-V142 HydrophobicContact CG1-CG2 3.75Å; I140-V142 HydrophobicContact CG2-CG2 4.26Å; V142-I155 HydrophobicContact CG1-CG2 3.95Å; V142-A157 HydrophobicContact CG1-CB 3.72Å
143	R	98.3	Very high	93.9	Very high	86 Å²	86	64.3 Å²	64.3	33%	0.325	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.9	174.5	-64.8	-176.8	73.4	-179.8	7.4	109.5	F26 V57 D58 S158 T159	F26-R143 HydrophobicContact CD1-CB 3.79Å; F26-R143 HydrophobicContact CD1-CG 4.48Å; F26-R143 HydrophobicContact CE1-CB 3.88Å; V57-R143 WeakPolarHBondContact O-CA 3.41Å; D58-R143 HydrophobicContact CB-CG 3.91Å; D58-R143 WeakPolarHBondContact OD1-CG 3.38Å; R143-S158 PolarHBondContact O-N 2.89Å; R143-T159 PolarHBondContact N-O 3.14Å; R143-T159 PolarHBondContact O-N 2.61Å
144	G	97.5	Very high	94.1	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.7	172.6	179.4	0	0	0	0	0	114.1	V57 T156	V57-G144 PolarHBondContact N-O 3.31Å; V57-G144 PolarHBondContact O-N 3.39Å; G144-T156 WeakPolarHBondContact CA-O 3.27Å
145	P	97.1	Very high	94.3	Very high	32 Å²	32	62.8 Å²	62.8	21%	0.208	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	145.1	171.4	25.7	-36	0	0	0	113.2	Y55 T156 S158	Y55-P145 CarbonylContact O-C 3.54Å; Y55-P145 WeakPolarHBondContact O-CA 3.46Å; P145-T156 WeakPolarHBondContact CD-O 3.45Å; P145-T156 PolarHBondContact O-N 3.45Å; P145-S158 WeakPolarHBondContact CD-OG 3.47Å
146	V	96.6	Very high	94.3	Very high	3 Å²	3	59.6 Å²	59.6	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	140	170	-174.8	0	0	0	0	108.8	I34 Y47 Y55 V57	I34-V146 HydrophobicContact CG2-CG1 4.25Å; I34-V146 HydrophobicContact CG2-CG2 4.09Å; Y47-V146 HydrophobicContact CD2-CB 4.02Å; Y47-V146 HydrophobicContact CD2-CG1 4.04Å; Y47-V146 HydrophobicContact CE2-CB 3.73Å; Y47-V146 HydrophobicContact CE2-CG1 3.61Å; Y55-V146 PolarHBondContact O-N 3.34Å; V57-V146 HydrophobicContact CB-CG2 4.2Å; V57-V146 HydrophobicContact CG1-CG2 3.55Å; V57-V146 HydrophobicContact CG2-CG2 3.57Å
147	K	93.4	Very high	94.3	Very high	115 Å²	115	54.9 Å²	54.9	50%	0.5	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	142.8	173.6	-67.7	-169.7	178	-177.4	0	110.7	Y47 R153 E154	Y47-K147 VanDerWaalsContact OH-C 3.28Å; K147-R153 WeakPolarHBondContact O-CA 3.44Å; K147-E154 PolarHBondContact N-O 3.18Å; K147-E154 PolarHBondContact O-N 3.38Å
148	T	91.8	Very high	94.2	Very high	54 Å²	54	55.7 Å²	55.7	33%	0.331	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	119.9	168	-51.3	0	0	0	0	107.6	E39 Y47 Q152	E39-T148 WeakPolarHBondContact OE2-CB 3.33Å; E39-T148 PolarHBondContact OE2-OG1 3Å; Y47-T148 WeakPolarHBondContact CE1-OG1 3.28Å; Y47-T148 PolarHBondContact OH-N 3.41Å; Y47-T148 PolarHBondContact OH-OG1 2.86Å; T148-Q152 CarbonylContact C-O 3.6Å; T148-Q152 WeakPolarHBondContact CA-O 3.37Å
149	S	82.4	Confident	94	Very high	58 Å²	58	57.2 Å²	57.2	41%	0.406	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	125.3	172.3	-177.1	0	0	0	0	108.9	Q151 Q152	S149-Q151 PolarHBondContact O-N 3.35Å; S149-Q152 PolarHBondContact N-O 3.36Å; S149-Q152 PolarHBondContact O-N 3.24Å
150	R	83.2	Confident	94	Very high	238 Å²	238	57.6 Å²	57.6	90%	0.898	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	43.6	180	-55.3	179.6	180	-172.1	-1.1	113	Q152	R150-Q152 PolarHBondContact O-N 2.88Å
151	Q	82.4	Confident	93.8	Very high	183 Å²	183	60.1 Å²	60.1	86%	0.855	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	11	-177.6	-52.4	-178.7	-11.6	0	0	115.7	S149	S149-Q151 PolarHBondContact O-N 3.35Å
152	Q	89.3	Confident	93.8	Very high	121 Å²	121	60.6 Å²	60.6	57%	0.565	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	137.1	171.3	-67.3	-172.3	-23.7	0	0	110.2	T148 S149 R150	T148-Q152 CarbonylContact C-O 3.6Å; T148-Q152 WeakPolarHBondContact CA-O 3.37Å; S149-Q152 PolarHBondContact N-O 3.36Å; S149-Q152 PolarHBondContact O-N 3.24Å; R150-Q152 PolarHBondContact O-N 2.88Å
153	R	94.1	Very high	93.7	Very high	30 Å²	30	61.5 Å²	61.5	11%	0.113	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	134.7	173.6	-78.2	-171.4	-175.2	154.2	16	110.9	I34 L35 M37 I84 K147	I34-R153 WeakPolarHBondContact O-CD 3.31Å; I34-R153 PolarHBondContact O-NH1 2.99Å; L35-R153 HydrophobicContact CD2-CB 3.89Å; L35-R153 PolarHBondContact O-NH1 3.16Å; L35-R153 VanDerWaalsContact O-NH1 3.13Å; M37-R153 PolarHBondContact O-NH1 2.99Å; M37-R153 PolarHBondContact O-NH2 3.17Å; I84-R153 HydrophobicContact CD1-CB 4.48Å; K147-R153 WeakPolarHBondContact O-CA 3.44Å
154	E	96.4	Very high	93.5	Very high	33 Å²	33	63.5 Å²	63.5	15%	0.154	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153.7	-179.3	-51.3	-171.2	141.9	0	0	109.5	N85 K147	N85-E154 HydrophobicContact CB-CB 4.45Å; N85-E154 HydrophobicContact CB-CG 4.1Å; N85-E154 CarbonylContact O-C 3.53Å; N85-E154 VanDerWaalsContact O-CA 3.31Å; N85-E154 WeakPolarHBondContact O-CA 3.49Å; K147-E154 PolarHBondContact N-O 3.18Å; K147-E154 PolarHBondContact O-N 3.38Å
155	I	97.8	Very high	93.5	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121	172.8	-60.6	168.8	0	0	0	107.7	V57 V59 I84 N85 C86 L87 V142 A157	V57-I155 HydrophobicContact CG2-CD1 3.6Å; V57-I155 HydrophobicContact CG2-CG1 3.81Å; V57-I155 HydrophobicContact CG2-CG2 4.25Å; V59-I155 HydrophobicContact CB-CD1 4.43Å; V59-I155 HydrophobicContact CG2-CD1 3.73Å; I84-I155 HydrophobicContact CD1-CD1 3.99Å; I84-I155 HydrophobicContact CD1-CG1 3.85Å; I84-I155 HydrophobicContact CG1-CD1 4.44Å; I84-I155 HydrophobicContact CG1-CG1 4.35Å; I84-I155 HydrophobicContact CG2-CD1 3.94Å; N85-I155 PolarHBondContact O-N 2.98Å; C86-I155 CarbonylContact C-O 3.59Å; C86-I155 WeakPolarHBondContact CA-O 3.46Å; L87-I155 PolarHBondContact N-O 3.3Å; V142-I155 HydrophobicContact CG1-CG2 3.95Å; I155-A157 PolarHBondContact O-N 2.8Å
156	T	96.9	Very high	93.4	Very high	24 Å²	24	68.8 Å²	68.8	15%	0.147	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	105.6	169.3	-55.5	0	0	0	0	108.4	G144 P145 S158	G144-T156 WeakPolarHBondContact CA-O 3.27Å; P145-T156 WeakPolarHBondContact CD-O 3.45Å; P145-T156 PolarHBondContact O-N 3.45Å; T156-S158 PolarHBondContact O-N 2.98Å
157	A	96.4	Very high	93.3	Very high	11 Å²	11	74.1 Å²	74.1	9%	0.091	38%	0.381	C	S	.	.			trans	-65.9	121.8	-173.1	0	0	0	0	0	111.5	L87 C88 V142 I155 Y160	L87-A157 WeakPolarHBondContact O-CB 3.38Å; L87-A157 PolarHBondContact O-N 2.72Å; C88-A157 HydrophobicContact CB-CB 4.48Å; V142-A157 HydrophobicContact CG1-CB 3.72Å; I155-A157 PolarHBondContact O-N 2.8Å; A157-Y160 HydrophobicContact CB-CD1 4.06Å
158	S	94.9	Very high	93.3	Very high	74 Å²	74	73.4 Å²	73.4	52%	0.517	38%	0.381	S	S	.	.	S	Bend	trans	-81.6	-31.8	162.7	-52.8	0	0	0	0	111	R143 P145 T156	R143-S158 PolarHBondContact O-N 2.89Å; P145-S158 WeakPolarHBondContact CD-OG 3.47Å; T156-S158 PolarHBondContact O-N 2.98Å
159	T	94.8	Very high	93.6	Very high	77 Å²	77	73.5 Å²	73.5	47%	0.472	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	136.6	175.1	-56	0	0	0	0	109	R143 Y161	R143-T159 PolarHBondContact N-O 3.14Å; R143-T159 PolarHBondContact O-N 2.61Å; T159-Y161 HydrophobicContact CG2-CD1 4.28Å; T159-Y161 HydrophobicContact CG2-CE1 4.48Å
160	Y	96	Very high	94.2	Very high	23 Å²	23	73.7 Å²	73.7	9%	0.09	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	149.4	173.9	68.8	-76.9	0	0	0	110.2	Y75 C88 W89 C132 L134 I140 R141 A157	Y75-Y160 HydrophobicContact CE2-CE2 4.49Å; C88-Y160 HydrophobicContact CB-CD1 3.73Å; C88-Y160 HydrophobicContact CB-CD2 3.82Å; C88-Y160 HydrophobicContact CB-CE1 3.63Å; C88-Y160 HydrophobicContact CB-CE2 3.69Å; C88-Y160 HydrophobicContact CB-CG 3.84Å; W89-Y160 WeakPolarHBondContact O-CE1 3.36Å; W89-Y160 PolarHBondContact O-OH 3.28Å; C132-Y160 HydrophobicContact CB-CE2 3.96Å; C132-Y160 VanDerWaalsContact O-CE2 3.27Å; C132-Y160 WeakPolarHBondContact O-CE2 3.26Å; L134-Y160 HydrophobicContact CD1-CD2 4.2Å; L134-Y160 HydrophobicContact CD1-CE2 4.36Å; I140-Y160 HydrophobicContact CD1-CD2 4.35Å; R141-Y160 VanDerWaalsContact O-CA 3.24Å; R141-Y160 WeakPolarHBondContact O-CA 3.36Å; A157-Y160 HydrophobicContact CB-CD1 4.06Å
161	Y	95.6	Very high	94.8	Very high	54 Å²	54	64.8 Å²	64.8	21%	0.212	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	153.4	174	52	-87.6	0	0	0	111.8	R131 R141 T159 V163	R131-Y161 CarbonylContact O-C 3.55Å; R131-Y161 WeakPolarHBondContact O-CA 3.4Å; R141-Y161 HydrophobicContact CB-CE2 4.36Å; R141-Y161 WeakPolarHBondContact CD-OH 3.44Å; R141-Y161 PolarHBondContact N-O 2.88Å; R141-Y161 VanDerWaalsContact N-O 3.07Å; R141-Y161 PolarHBondContact O-N 3.25Å; R141-Y161 VanDerWaalsContact O-N 3.17Å; T159-Y161 HydrophobicContact CG2-CD1 4.28Å; T159-Y161 HydrophobicContact CG2-CE1 4.48Å; Y161-V163 HydrophobicContact CD2-CG2 4.12Å; Y161-V163 HydrophobicContact CE2-CG2 3.96Å
162	K	96.6	Very high	95.5	Very high	57 Å²	57	60.7 Å²	60.7	25%	0.248	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	133.5	165.2	-178	174.3	171.6	172.7	0	110.5	R131 L134 E138 D164	R131-K162 PolarHBondContact O-N 3.49Å; L134-K162 HydrophobicContact CD2-CB 3.86Å; L134-K162 HydrophobicContact CD2-CG 4.37Å; L134-K162 HydrophobicContact CG-CB 4.03Å; E138-K162 WeakPolarHBondContact OE1-CE 3.22Å; E138-K162 IonicContact OE1-NZ 3.89Å; E138-K162 PolarHBondContact OE1-NZ 2.89Å; K162-D164 WeakPolarHBondContact CE-OD1 3.36Å
163	V	96.7	Very high	95.9	Very high	19 Å²	19	57.5 Å²	57.5	12%	0.115	33%	0.331	C	S	.	.			trans	-105.1	116.4	175.5	-178.2	0	0	0	0	108.3	L60 L139 R141 Y161 D165 V170	L60-V163 HydrophobicContact CD1-CB 4.47Å; L60-V163 HydrophobicContact CD1-CG2 3.87Å; L139-V163 HydrophobicContact CB-CB 4.33Å; L139-V163 HydrophobicContact CD2-CB 3.78Å; L139-V163 HydrophobicContact CD2-CG1 3.72Å; L139-V163 HydrophobicContact CG-CB 4.01Å; L139-V163 HydrophobicContact CG-CG1 4.48Å; L139-V163 PolarHBondContact O-N 2.84Å; R141-V163 HydrophobicContact CB-CG2 3.79Å; Y161-V163 HydrophobicContact CD2-CG2 4.12Å; Y161-V163 HydrophobicContact CE2-CG2 3.96Å; V163-D165 HydrophobicContact CG1-CB 4.32Å; V163-D165 PolarHBondContact O-N 3.31Å; V163-V170 HydrophobicContact CG1-CB 4.31Å; V163-V170 HydrophobicContact CG1-CG1 4.09Å; V163-V170 HydrophobicContact CG1-CG2 4.28Å
164	D	94.9	Very high	96	Very high	127 Å²	127	57.3 Å²	57.3	68%	0.679	33%	0.331	S	S	*	.			trans	-82.3	100	175.2	-64.5	-45.4	0	0	0	109.2	K162	K162-D164 WeakPolarHBondContact CE-OD1 3.36Å
165	D	95.6	Very high	95.9	Very high	21 Å²	21	62.2 Å²	62.2	11%	0.112	36%	0.355	C	S	.	.			trans	-128.7	65.5	-176.3	-167.8	22.8	0	0	0	112.2	L139 V163 V167 M168 A169 V170 Q171	L139-D165 HydrophobicContact CD2-CB 3.72Å; V163-D165 HydrophobicContact CG1-CB 4.32Å; V163-D165 PolarHBondContact O-N 3.31Å; D165-V167 PolarHBondContact O-N 2.98Å; D165-V167 VanDerWaalsContact O-N 3.17Å; D165-M168 VanDerWaalsContact CG-CA 3.48Å; D165-M168 PolarHBondContact O-N 3.08Å; D165-M168 VanDerWaalsContact OD1-C 3.31Å; D165-M168 WeakPolarHBondContact OD1-CA 3.46Å; D165-M168 PolarHBondContact OD1-N 3.41Å; D165-M168 WeakPolarHBondContact OD2-CA 3.47Å; D165-A169 PolarHBondContact OD1-N 2.93Å; D165-A169 PolarHBondContact OD2-N 3.36Å; D165-V170 HydrophobicContact CB-CB 4.25Å; D165-V170 HydrophobicContact CB-CG2 4.29Å; D165-V170 PolarHBondContact OD1-N 3.4Å; D165-V170 VanDerWaalsContact OD1-N 3.09Å; D165-V170 WeakPolarHBondContact OD2-CB 3.31Å; D165-V170 PolarHBondContact OD2-N 3.07Å; D165-Q171 PolarHBondContact OD2-N 3.04Å
166	P	94.8	Very high	95.8	Very high	123 Å²	123	68 Å²	68	80%	0.799	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.8	-171.8	27.5	-36.1	0	0	0	114
167	V	95.3	Very high	95.7	Very high	114 Å²	114	70.4 Å²	70.4	69%	0.691	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	15	-178.9	-62.6	0	0	0	0	112.6	D165 A169	D165-V167 PolarHBondContact O-N 2.98Å; D165-V167 VanDerWaalsContact O-N 3.17Å; V167-A169 HydrophobicContact CG2-CB 4.11Å; V167-A169 PolarHBondContact O-N 3.44Å; V167-A169 VanDerWaalsContact O-N 3.09Å
168	M	94.4	Very high	95.7	Very high	101 Å²	101	69.9 Å²	69.9	50%	0.498	39%	0.389	S	S	.	.	S	Bend	trans	59.3	17.3	177.9	-54.2	-176.7	69.6	0	0	115.4	D165 V170 Q171 I172	D165-M168 VanDerWaalsContact CG-CA 3.48Å; D165-M168 PolarHBondContact O-N 3.08Å; D165-M168 VanDerWaalsContact OD1-C 3.31Å; D165-M168 WeakPolarHBondContact OD1-CA 3.46Å; D165-M168 PolarHBondContact OD1-N 3.41Å; D165-M168 WeakPolarHBondContact OD2-CA 3.47Å; M168-V170 VanDerWaalsContact C-N 3.34Å; M168-V170 PolarHBondContact O-N 3.36Å; M168-Q171 PolarHBondContact O-N 3.45Å; M168-I172 HydrophobicContact CB-CD1 4.25Å; M168-I172 HydrophobicContact CB-CG1 4.49Å; M168-I172 WeakPolarHBondContact O-CB 3.49Å; M168-I172 WeakPolarHBondContact O-CD1 3.34Å; M168-I172 WeakPolarHBondContact O-CG1 3.5Å; M168-I172 PolarHBondContact O-N 3Å
169	A	96.9	Very high	95.8	Very high	56 Å²	56	68.1 Å²	68.1	46%	0.463	38%	0.375	S	S	.	.	H	α-helix	trans	-64.8	-39.2	-176.7	0	0	0	0	0	111.9	D165 V167 A173	D165-A169 PolarHBondContact OD1-N 2.93Å; D165-A169 PolarHBondContact OD2-N 3.36Å; V167-A169 HydrophobicContact CG2-CB 4.11Å; V167-A169 PolarHBondContact O-N 3.44Å; V167-A169 VanDerWaalsContact O-N 3.09Å; A169-A173 WeakPolarHBondContact O-CB 3.37Å; A169-A173 PolarHBondContact O-N 3.39Å
170	V	96	Very high	95.9	Very high	61 Å²	61	69.1 Å²	69.1	37%	0.37	38%	0.375	S	S	.	.	H	α-helix	trans	-69.7	-44.2	179.2	-176.6	0	0	0	0	110.4	L60 V163 D165 M168 A173 W174	L60-V170 HydrophobicContact CD2-CG1 4.04Å; V163-V170 HydrophobicContact CG1-CB 4.31Å; V163-V170 HydrophobicContact CG1-CG1 4.09Å; V163-V170 HydrophobicContact CG1-CG2 4.28Å; D165-V170 HydrophobicContact CB-CB 4.25Å; D165-V170 HydrophobicContact CB-CG2 4.29Å; D165-V170 PolarHBondContact OD1-N 3.4Å; D165-V170 VanDerWaalsContact OD1-N 3.09Å; D165-V170 WeakPolarHBondContact OD2-CB 3.31Å; D165-V170 PolarHBondContact OD2-N 3.07Å; M168-V170 VanDerWaalsContact C-N 3.34Å; M168-V170 PolarHBondContact O-N 3.36Å; V170-A173 PolarHBondContact O-N 2.95Å; V170-W174 WeakPolarHBondContact O-CB 3.49Å; V170-W174 PolarHBondContact O-N 3.48Å
171	Q	95.8	Very high	95.8	Very high	52 Å²	52	69.5 Å²	69.5	24%	0.243	38%	0.378	C	S	.	.	H	α-helix	trans	-61.8	-45.6	176.4	-69.8	-180	55.4	0	0	112	L139 D165 M168 W174 M175	L139-Q171 HydrophobicContact CD1-CG 3.82Å; L139-Q171 HydrophobicContact CD2-CG 3.7Å; L139-Q171 HydrophobicContact CG-CG 4.46Å; D165-Q171 PolarHBondContact OD2-N 3.04Å; M168-Q171 PolarHBondContact O-N 3.45Å; Q171-W174 WeakPolarHBondContact O-CB 3.06Å; Q171-W174 PolarHBondContact O-N 2.89Å; Q171-M175 WeakPolarHBondContact O-CG 3.34Å; Q171-M175 PolarHBondContact O-N 3.27Å
172	I	96.4	Very high	95.9	Very high	97 Å²	97	67.6 Å²	67.6	50%	0.497	37%	0.371	S	S	.	.	H	α-helix	trans	-62.1	-46.4	177.8	-68.8	164.7	0	0	0	110.7	M168 W174 M175 M176	M168-I172 HydrophobicContact CB-CD1 4.25Å; M168-I172 HydrophobicContact CB-CG1 4.49Å; M168-I172 WeakPolarHBondContact O-CB 3.49Å; M168-I172 WeakPolarHBondContact O-CD1 3.34Å; M168-I172 WeakPolarHBondContact O-CG1 3.5Å; M168-I172 PolarHBondContact O-N 3Å; I172-W174 VanDerWaalsContact C-N 3.29Å; I172-W174 PolarHBondContact O-N 3.28Å; I172-M175 PolarHBondContact O-N 3.41Å; I172-M176 WeakPolarHBondContact O-CG 3.38Å; I172-M176 PolarHBondContact O-N 3.37Å; I172-M176 VanDerWaalsContact O-N 3.09Å
173	A	96.9	Very high	95.8	Very high	54 Å²	54	73.1 Å²	73.1	45%	0.446	39%	0.39	S	S	.	.	H	α-helix	trans	-59.2	-42.6	176.8	0	0	0	0	0	111.6	A169 V170 M176 E177	A169-A173 WeakPolarHBondContact O-CB 3.37Å; A169-A173 PolarHBondContact O-N 3.39Å; V170-A173 PolarHBondContact O-N 2.95Å; A173-M176 PolarHBondContact O-N 3.43Å; A173-E177 WeakPolarHBondContact O-CB 3.35Å; A173-E177 PolarHBondContact O-N 3.47Å
174	W	96.4	Very high	95.6	Very high	26 Å²	26	76.5 Å²	76.5	10%	0.098	41%	0.407	C	S	.	.	H	α-helix	trans	-60.7	-46.4	176.4	-169.5	-87.9	0	0	0	112.3	R28 D58 L60 V170 Q171 I172 M176 E177 V178	R28-W174 HydrophobicContact CB-CH2 4.37Å; R28-W174 HydrophobicContact CB-CZ2 4.25Å; R28-W174 VanDerWaalsContact CD-CH2 3.5Å; R28-W174 HydrophobicContact CG-CH2 3.71Å; R28-W174 HydrophobicContact CG-CZ2 4.09Å; R28-W174 HydrophobicContact CG-CZ3 4.38Å; D58-W174 HydrophobicContact CB-CH2 4.5Å; D58-W174 WeakPolarHBondContact O-CZ2 3.24Å; L60-W174 HydrophobicContact CB-CD2 3.62Å; L60-W174 HydrophobicContact CB-CE3 3.9Å; L60-W174 HydrophobicContact CB-CG 4.13Å; L60-W174 HydrophobicContact CB-CH2 4.05Å; L60-W174 HydrophobicContact CB-CZ2 3.81Å; L60-W174 HydrophobicContact CB-CZ3 4.1Å; L60-W174 HydrophobicContact CD2-CB 3.7Å; L60-W174 HydrophobicContact CD2-CD2 3.79Å; L60-W174 HydrophobicContact CD2-CE3 3.96Å; L60-W174 HydrophobicContact CD2-CG 3.69Å; L60-W174 HydrophobicContact CG-CD2 4.36Å; V170-W174 WeakPolarHBondContact O-CB 3.49Å; V170-W174 PolarHBondContact O-N 3.48Å; Q171-W174 WeakPolarHBondContact O-CB 3.06Å; Q171-W174 PolarHBondContact O-N 2.89Å; I172-W174 VanDerWaalsContact C-N 3.29Å; I172-W174 PolarHBondContact O-N 3.28Å; W174-M176 PolarHBondContact O-N 2.94Å; W174-E177 PolarHBondContact O-N 3.36Å; W174-V178 HydrophobicContact CD2-CG2 4.11Å; W174-V178 HydrophobicContact CG-CG2 4.13Å; W174-V178 HydrophobicContact CZ2-CG2 4.28Å; W174-V178 WeakPolarHBondContact O-CG2 3.47Å; W174-V178 PolarHBondContact O-N 2.96Å
175	M	94.6	Very high	95.5	Very high	135 Å²	135	75.9 Å²	75.9	67%	0.665	40%	0.398	S	S	*	.	H	α-helix	trans	-62.5	-26.6	177.5	-71.1	178.7	73.6	0	0	113.1	Q171 I172 P179	Q171-M175 WeakPolarHBondContact O-CG 3.34Å; Q171-M175 PolarHBondContact O-N 3.27Å; I172-M175 PolarHBondContact O-N 3.41Å; M175-P179 WeakPolarHBondContact O-CD 3.37Å; M175-P179 VanDerWaalsContact O-CG 3.23Å; M175-P179 WeakPolarHBondContact O-CG 3.25Å
176	M	95.2	Very high	95.4	Very high	122 Å²	122	75.8 Å²	75.8	60%	0.601	40%	0.397	S	S	*	.	H	α-helix	trans	-86.9	-36.9	176.5	-65.4	-61.3	-69.8	0	0	112.6	I172 A173 W174 Q180	I172-M176 WeakPolarHBondContact O-CG 3.38Å; I172-M176 PolarHBondContact O-N 3.37Å; I172-M176 VanDerWaalsContact O-N 3.09Å; A173-M176 PolarHBondContact O-N 3.43Å; W174-M176 PolarHBondContact O-N 2.94Å; M176-Q180 WeakPolarHBondContact O-CG 3.3Å
177	E	96.3	Very high	95.3	Very high	75 Å²	75	73.6 Å²	73.6	35%	0.35	38%	0.378	S	S	.	.	H	α-helix	trans	-77.3	-45	-175.8	-170.4	-175.5	165.8	0	0	112.4	R28 A173 W174 Q180 L181	R28-E177 IonicContact CZ-OE1 2.76Å; R28-E177 IonicContact NH1-OE1 3.66Å; R28-E177 PolarHBondContact NH1-OE1 3.15Å; R28-E177 IonicContact NH1-OE2 2.72Å; R28-E177 PolarHBondContact NH1-OE2 3.14Å; R28-E177 IonicContact NH2-OE1 3.26Å; A173-E177 WeakPolarHBondContact O-CB 3.35Å; A173-E177 PolarHBondContact O-N 3.47Å; W174-E177 PolarHBondContact O-N 3.36Å; E177-Q180 WeakPolarHBondContact O-CA 3.18Å; E177-Q180 WeakPolarHBondContact O-CB 3.4Å; E177-Q180 PolarHBondContact O-N 3.49Å; E177-L181 HydrophobicContact CG-CD1 4.41Å; E177-L181 HydrophobicContact CG-CG 4.44Å; E177-L181 PolarHBondContact O-N 2.89Å
178	V	96	Very high	95	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-58.2	-48.1	-175.8	174.6	0	0	0	0	112.1	R28 F30 W174 Q180 L181 Y182	R28-V178 HydrophobicContact CB-CG2 4.2Å; F30-V178 HydrophobicContact CD1-CG1 4.27Å; F30-V178 HydrophobicContact CD2-CG1 4.31Å; F30-V178 HydrophobicContact CE1-CB 4.39Å; F30-V178 HydrophobicContact CE1-CG1 3.85Å; F30-V178 HydrophobicContact CE2-CG1 3.9Å; F30-V178 HydrophobicContact CG-CG1 4.49Å; F30-V178 HydrophobicContact CZ-CB 4.25Å; F30-V178 HydrophobicContact CZ-CG1 3.65Å; W174-V178 HydrophobicContact CD2-CG2 4.11Å; W174-V178 HydrophobicContact CG-CG2 4.13Å; W174-V178 HydrophobicContact CZ2-CG2 4.28Å; W174-V178 WeakPolarHBondContact O-CG2 3.47Å; W174-V178 PolarHBondContact O-N 2.96Å; V178-Q180 PolarHBondContact O-N 3.49Å; V178-L181 WeakPolarHBondContact O-CB 3.42Å; V178-L181 PolarHBondContact O-N 3.04Å; V178-Y182 HydrophobicContact CG1-CD2 3.92Å; V178-Y182 HydrophobicContact CG1-CE2 3.64Å; V178-Y182 VanDerWaalsContact O-CD2 3.28Å; V178-Y182 WeakPolarHBondContact O-CD2 3.23Å; V178-Y182 PolarHBondContact O-N 3.14Å; V178-Y182 VanDerWaalsContact O-N 3.1Å
179	P	95.6	Very high	94.5	Very high	36 Å²	36	74 Å²	74	23%	0.234	37%	0.369	C	S	.	.	H	α-helix	trans	-59.5	-30	175.1	-24.9	34.9	0	0	0	114.2	F30 M175 R183	F30-P179 HydrophobicContact CZ-CG 4.2Å; M175-P179 WeakPolarHBondContact O-CD 3.37Å; M175-P179 VanDerWaalsContact O-CG 3.23Å; M175-P179 WeakPolarHBondContact O-CG 3.25Å; P179-R183 WeakPolarHBondContact O-CG 3.34Å; P179-R183 PolarHBondContact O-N 3.37Å
180	Q	96.8	Very high	93.8	Very high	99 Å²	99	75.4 Å²	75.4	46%	0.463	37%	0.365	S	S	.	.	H	α-helix	trans	-70.7	-40.2	175.1	-64.9	176.5	12.1	0	0	111	M176 E177 V178 Y182 R183 L184	M176-Q180 WeakPolarHBondContact O-CG 3.3Å; E177-Q180 WeakPolarHBondContact O-CA 3.18Å; E177-Q180 WeakPolarHBondContact O-CB 3.4Å; E177-Q180 PolarHBondContact O-N 3.49Å; V178-Q180 PolarHBondContact O-N 3.49Å; Q180-Y182 VanDerWaalsContact C-N 3.31Å; Q180-Y182 PolarHBondContact O-N 2.94Å; Q180-R183 PolarHBondContact O-N 3.19Å; Q180-L184 VanDerWaalsContact O-CB 3.25Å; Q180-L184 WeakPolarHBondContact O-CB 3.45Å; Q180-L184 VanDerWaalsContact O-CG 3.24Å; Q180-L184 WeakPolarHBondContact O-CG 3.5Å; Q180-L184 PolarHBondContact O-N 3.23Å
181	L	95.9	Very high	92.7	Very high	31 Å²	31	80.2 Å²	80.2	16%	0.162	38%	0.384	C	S	.	.	H	α-helix	trans	-60.6	-40.8	175.6	-67	174.3	0	0	0	111.9	R28 E177 V178 F185 Y186	R28-L181 HydrophobicContact CB-CD1 3.93Å; R28-L181 HydrophobicContact CG-CD1 4.4Å; E177-L181 HydrophobicContact CG-CD1 4.41Å; E177-L181 HydrophobicContact CG-CG 4.44Å; E177-L181 PolarHBondContact O-N 2.89Å; V178-L181 WeakPolarHBondContact O-CB 3.42Å; V178-L181 PolarHBondContact O-N 3.04Å; L181-F185 HydrophobicContact CD2-CD2 3.91Å; L181-F185 HydrophobicContact CD2-CE2 4.04Å; L181-F185 WeakPolarHBondContact O-CA 3.33Å; L181-F185 WeakPolarHBondContact O-CB 3.33Å; L181-F185 PolarHBondContact O-N 3.11Å; L181-Y186 HydrophobicContact CB-CD2 4.28Å; L181-Y186 HydrophobicContact CB-CE2 3.68Å; L181-Y186 PolarHBondContact O-N 3.27Å
182	Y	96.4	Very high	91.3	Very high	14 Å²	14	81.5 Å²	81.5	6%	0.055	39%	0.392	C	S	.	.	I	π-helix	trans	-57.1	-58.1	173.5	-85.1	-112.8	0	0	0	110.9	L29 F30 D33 Y49 V178 Q180 L184 F185 Y186 D187	L29-Y182 WeakPolarHBondContact CA-OH 3.43Å; L29-Y182 HydrophobicContact CD2-CE2 3.97Å; F30-Y182 HydrophobicContact CD2-CE1 4.28Å; F30-Y182 AromaticContact CD2-CE2 3.89Å; F30-Y182 HydrophobicContact CD2-CE2 3.89Å; F30-Y182 AromaticContact CD2-CZ 3.67Å; F30-Y182 HydrophobicContact CE2-CD2 4.46Å; F30-Y182 HydrophobicContact CE2-CE2 4.11Å; F30-Y182 PolarHBondContact N-OH 3.42Å; D33-Y182 WeakPolarHBondContact OD2-CE1 3.39Å; D33-Y182 VanDerWaalsContact OD2-CZ 3.22Å; D33-Y182 PolarHBondContact OD2-OH 3.17Å; Y49-Y182 HydrophobicContact CE1-CD1 4.18Å; Y49-Y182 HydrophobicContact CE1-CE1 4.08Å; Y49-Y182 AromaticContact CE2-CE1 3.94Å; Y49-Y182 HydrophobicContact CE2-CE1 3.94Å; Y49-Y182 AromaticContact CZ-CD1 3.81Å; Y49-Y182 AromaticContact CZ-CE1 3.46Å; Y49-Y182 VanDerWaalsContact CZ-CE1 3.46Å; Y49-Y182 VanDerWaalsContact OH-CD1 3.23Å; Y49-Y182 WeakPolarHBondContact OH-CD1 3.08Å; Y49-Y182 WeakPolarHBondContact OH-CE1 3.28Å; V178-Y182 HydrophobicContact CG1-CD2 3.92Å; V178-Y182 HydrophobicContact CG1-CE2 3.64Å; V178-Y182 VanDerWaalsContact O-CD2 3.28Å; V178-Y182 WeakPolarHBondContact O-CD2 3.23Å; V178-Y182 PolarHBondContact O-N 3.14Å; V178-Y182 VanDerWaalsContact O-N 3.1Å; Q180-Y182 VanDerWaalsContact C-N 3.31Å; Q180-Y182 PolarHBondContact O-N 2.94Å; Y182-L184 VanDerWaalsContact C-N 3.29Å; Y182-L184 PolarHBondContact O-N 3.46Å; Y182-F185 PolarHBondContact O-N 3.34Å; Y182-Y186 AromaticContact CD2-CD2 3.6Å; Y182-Y186 HydrophobicContact CD2-CD2 3.6Å; Y182-Y186 HydrophobicContact CD2-CE2 4.13Å; Y182-Y186 AromaticContact CE2-CD2 3.86Å; Y182-Y186 HydrophobicContact CE2-CD2 3.86Å; Y182-Y186 HydrophobicContact CE2-CE2 4.24Å; Y182-Y186 HydrophobicContact CG-CD2 4.02Å; Y182-Y186 PolarHBondContact O-N 3.08Å; Y182-Y186 VanDerWaalsContact O-N 3.1Å; Y182-D187 WeakPolarHBondContact O-CB 3.33Å; Y182-D187 PolarHBondContact O-N 3.4Å
183	R	94.6	Very high	89.2	Confident	173 Å²	173	83.8 Å²	83.8	65%	0.653	41%	0.405	S	S	*	.	I	π-helix	trans	-61.5	-35.6	-177.5	-67.6	172.8	-171.1	157	3.6	113.8	P179 Q180 K188	P179-R183 WeakPolarHBondContact O-CG 3.34Å; P179-R183 PolarHBondContact O-N 3.37Å; Q180-R183 PolarHBondContact O-N 3.19Å; R183-K188 VanDerWaalsContact O-CE 3.26Å; R183-K188 WeakPolarHBondContact O-CE 3.16Å
184	L	93.1	Very high	86.7	Confident	90 Å²	90	85.7 Å²	85.7	47%	0.471	42%	0.421	S	S	.	.	I	π-helix	trans	-85.5	-34.1	-173.9	-69.4	176	0	0	0	112.7	Q180 Y182 K188	Q180-L184 VanDerWaalsContact O-CB 3.25Å; Q180-L184 WeakPolarHBondContact O-CB 3.45Å; Q180-L184 VanDerWaalsContact O-CG 3.24Å; Q180-L184 WeakPolarHBondContact O-CG 3.5Å; Q180-L184 PolarHBondContact O-N 3.23Å; Y182-L184 VanDerWaalsContact C-N 3.29Å; Y182-L184 PolarHBondContact O-N 3.46Å; L184-K188 VanDerWaalsContact O-CD 3.3Å; L184-K188 WeakPolarHBondContact O-CD 3.03Å; L184-K188 WeakPolarHBondContact O-CE 3.16Å; L184-K188 PolarHBondContact O-NZ 2.7Å
185	F	92.2	Very high	84	Confident	113 Å²	113	89.4 Å²	89.4	50%	0.496	46%	0.457	S	S	.	.	I	π-helix	trans	-129.6	-55.1	-169.3	-55.2	-70.7	0	0	0	113.4	H52 L181 Y182 K188	H52-F185 PolarHBondContact NE2-O 3.17Å; L181-F185 HydrophobicContact CD2-CD2 3.91Å; L181-F185 HydrophobicContact CD2-CE2 4.04Å; L181-F185 WeakPolarHBondContact O-CA 3.33Å; L181-F185 WeakPolarHBondContact O-CB 3.33Å; L181-F185 PolarHBondContact O-N 3.11Å; Y182-F185 PolarHBondContact O-N 3.34Å; F185-K188 PolarHBondContact O-N 2.93Å
186	Y	94	Very high	81.3	Confident	19 Å²	19	85.8 Å²	85.8	8%	0.075	46%	0.455	C	S	.	.	I	π-helix	trans	-77.9	-28.6	-168.1	-47	-35.8	0	0	0	114.2	I22 R28 L29 N50 H52 L181 Y182 K188	I22-Y186 HydrophobicContact CD1-CD1 3.67Å; I22-Y186 HydrophobicContact CD1-CE1 4.08Å; I22-Y186 HydrophobicContact CG1-CD1 4.24Å; I22-Y186 HydrophobicContact CG1-CE1 4.13Å; I22-Y186 HydrophobicContact CG2-CE1 4.3Å; R28-Y186 PolarHBondContact N-OH 2.98Å; R28-Y186 VanDerWaalsContact N-OH 3.16Å; R28-Y186 WeakPolarHBondContact O-CE2 3.41Å; L29-Y186 HydrophobicContact CD2-CD2 3.61Å; L29-Y186 HydrophobicContact CD2-CE2 3.79Å; L29-Y186 HydrophobicContact CD2-CG 4.22Å; N50-Y186 PolarHBondContact ND2-O 2.95Å; H52-Y186 PolarHBondContact CD2-O 3.34Å; H52-Y186 PolarHBondContact NE2-O 3.44Å; L181-Y186 HydrophobicContact CB-CD2 4.28Å; L181-Y186 HydrophobicContact CB-CE2 3.68Å; L181-Y186 PolarHBondContact O-N 3.27Å; Y182-Y186 AromaticContact CD2-CD2 3.6Å; Y182-Y186 HydrophobicContact CD2-CD2 3.6Å; Y182-Y186 HydrophobicContact CD2-CE2 4.13Å; Y182-Y186 AromaticContact CE2-CD2 3.86Å; Y182-Y186 HydrophobicContact CE2-CD2 3.86Å; Y182-Y186 HydrophobicContact CE2-CE2 4.24Å; Y182-Y186 HydrophobicContact CG-CD2 4.02Å; Y182-Y186 PolarHBondContact O-N 3.08Å; Y182-Y186 VanDerWaalsContact O-N 3.1Å; Y186-K188 VanDerWaalsContact C-N 3.3Å
187	D	93	Very high	78.4	Confident	77 Å²	77	89.8 Å²	89.8	41%	0.412	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-10.6	177.1	-64.5	-21.7	0	0	0	111.9	Y49 N50 Y182	Y49-D187 PolarHBondContact OH-OD1 3.4Å; N50-D187 WeakPolarHBondContact ND2-CA 3.34Å; N50-D187 PolarHBondContact ND2-O 3.22Å; Y182-D187 WeakPolarHBondContact O-CB 3.33Å; Y182-D187 PolarHBondContact O-N 3.4Å
188	K	89.3	Confident	75.9	Confident	115 Å²	115	96.4 Å²	96.4	50%	0.5	49%	0.486	S	S	.	.	S	Bend	trans	-100.8	125.5	-178.9	-63.9	-171.6	-169.3	155.2	0	110.8	H52 R183 L184 F185 Y186 F190	H52-K188 PolarHBondContact CE1-O 3.28Å; H52-K188 PolarHBondContact NE2-O 3.49Å; R183-K188 VanDerWaalsContact O-CE 3.26Å; R183-K188 WeakPolarHBondContact O-CE 3.16Å; L184-K188 VanDerWaalsContact O-CD 3.3Å; L184-K188 WeakPolarHBondContact O-CD 3.03Å; L184-K188 WeakPolarHBondContact O-CE 3.16Å; L184-K188 PolarHBondContact O-NZ 2.7Å; F185-K188 PolarHBondContact O-N 2.93Å; Y186-K188 VanDerWaalsContact C-N 3.3Å; K188-F190 PolarHBondContact O-N 3.1Å
189	H	83.3	Confident	73.1	Confident	108 Å²	108	100.8 Å²	100.8	50%	0.5	51%	0.509	S	S	.	.			trans	-61.2	135.1	176.6	-62.8	152.9	0	0	0	112.3	N50 Q191	N50-H189 PolarHBondContact OD1-CD2 2.99Å; N50-H189 PolarHBondContact OD1-NE2 3.45Å; H189-Q191 PolarHBondContact O-N 3.38Å
190	F	81.7	Confident	70.3	Confident	86 Å²	86	104.5 Å²	104.5	38%	0.377	53%	0.534	S	S	.	.			trans	-68.6	115	172.4	178.7	-112.8	0	0	0	109.8	M19 D20 P21 K188 L192	M19-F190 HydrophobicContact CB-CE1 3.89Å; M19-F190 HydrophobicContact CB-CZ 4.1Å; M19-F190 WeakPolarHBondContact O-CZ 3.23Å; D20-F190 HydrophobicContact CB-CD1 4.12Å; D20-F190 HydrophobicContact CB-CE1 4.43Å; D20-F190 HydrophobicContact CB-CG 4.27Å; P21-F190 HydrophobicContact CG-CE2 4.45Å; K188-F190 PolarHBondContact O-N 3.1Å; F190-L192 HydrophobicContact CE1-CB 4.32Å; F190-L192 HydrophobicContact CE1-CD1 3.6Å; F190-L192 HydrophobicContact CZ-CD1 3.68Å
191	Q	73.9	Confident	67.6	Low	163 Å²	163	104.3 Å²	104.3	76%	0.762	54%	0.543	S	S	*	.			trans	-101.8	112.3	175	-65.3	-177.7	2.4	0	0	108.4	H189 D193	H189-Q191 PolarHBondContact O-N 3.38Å; Q191-D193 PolarHBondContact O-N 3.44Å; Q191-D193 VanDerWaalsContact O-N 3.16Å
192	L	65.3	Low	65	Low	79 Å²	79	107 Å²	107	41%	0.414	56%	0.558	S	S	.	*			trans	-72.7	107.8	171.8	-159.3	79.2	0	0	0	107.6	M19 F190 A194	M19-L192 HydrophobicContact CB-CD1 3.59Å; M19-L192 HydrophobicContact CG-CD1 3.95Å; F190-L192 HydrophobicContact CE1-CB 4.32Å; F190-L192 HydrophobicContact CE1-CD1 3.6Å; F190-L192 HydrophobicContact CZ-CD1 3.68Å; L192-A194 PolarHBondContact O-N 3.21Å
193	D	53.2	Low	62.3	Low	144 Å²	144	114.3 Å²	114.3	77%	0.77	59%	0.585	S	S	*	*			trans	-57.5	108.8	169.7	-86.8	-26.8	0	0	0	107.8	Q191 A195	Q191-D193 PolarHBondContact O-N 3.44Å; Q191-D193 VanDerWaalsContact O-N 3.16Å; D193-A195 PolarHBondContact O-N 3.11Å
194	A	43.7	Very low	59.7	Low	94 Å²	94	111 Å²	111	78%	0.777	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	37.8	-173.9	0	0	0	0	0	112.9	L192	L192-A194 PolarHBondContact O-N 3.21Å
195	A	39.2	Very low	57.1	Low	104 Å²	104	110.7 Å²	110.7	86%	0.86	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.5	-15.1	176	0	0	0	0	0	113	D193	D193-A195 PolarHBondContact O-N 3.11Å
196	G	38.7	Very low	54.5	Low	60 Å²	60	110.7 Å²	110.7	62%	0.619	62%	0.618	S	S	*	*	S	Bend	trans	-117.2	-31.7	-166	0	0	0	0	0	118.6
197	Y	34.4	Very low	51.8	Low	205 Å²	205	115.1 Å²	115.1	80%	0.804	64%	0.635	S	S	*	*			trans	-126.1	113.1	-169.2	-80.6	-90.5	0	0	0	112.8
198	R	43.3	Very low	49.2	Very low	215 Å²	215	119.2 Å²	119.2	81%	0.811	66%	0.656	S	S	*	*			trans	-83.8	103.4	173	-66.8	-178	-170.5	-171.2	4	109.3
199	D	37.1	Very low	47	Very low	91 Å²	91	119.1 Å²	119.1	49%	0.487	67%	0.67	S	S	.	*			trans	-132.1	116.3	152.3	-166	-27.9	0	0	0	109.3	S201	D199-S201 VanDerWaalsContact CG-OG 3.3Å; D199-S201 PolarHBondContact O-N 3.47Å; D199-S201 WeakPolarHBondContact OD1-CB 3.49Å; D199-S201 PolarHBondContact OD1-N 3.5Å; D199-S201 PolarHBondContact OD1-OG 3.23Å; D199-S201 PolarHBondContact OD2-OG 3.3Å
200	P	37.6	Very low	45.1	Very low	114 Å²	114	118.7 Å²	118.7	74%	0.74	69%	0.685	S	S	*	*	G	3₁₀ helix	trans	-67	-15.8	179.2	-19.5	32.1	0	0	0	115.2
201	S	39.6	Very low	43.7	Very low	95 Å²	95	117.7 Å²	117.7	66%	0.664	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-85.4	-16.8	-168.1	63.1	0	0	0	0	115.3	D199	D199-S201 VanDerWaalsContact CG-OG 3.3Å; D199-S201 PolarHBondContact O-N 3.47Å; D199-S201 WeakPolarHBondContact OD1-CB 3.49Å; D199-S201 PolarHBondContact OD1-N 3.5Å; D199-S201 PolarHBondContact OD1-OG 3.23Å; D199-S201 PolarHBondContact OD2-OG 3.3Å
202	L	42.5	Very low	43.4	Very low	89 Å²	89	114.2 Å²	114.2	47%	0.466	67%	0.672	S	S	.	*	G	3₁₀ helix	trans	-93.8	1.5	-176.5	-74.4	162.5	0	0	0	114.4	P13 A204	P13-L202 HydrophobicContact CG-CD2 3.83Å; L202-A204 VanDerWaalsContact C-N 3.25Å; L202-A204 PolarHBondContact O-N 3.3Å
203	R	39.2	Very low	43.9	Very low	166 Å²	166	113 Å²	113	63%	0.626	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-9.2	-172.1	-88.8	-174.7	158	-177	-2.9	115.6	D223	R203-D223 IonicContact CZ-OD2 3.48Å; R203-D223 IonicContact NH2-OD2 2.84Å; R203-D223 PolarHBondContact NH2-OD2 3.36Å
204	A	40	Very low	45.3	Very low	103 Å²	103	108.4 Å²	108.4	85%	0.851	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	-23.1	-170	0	0	0	0	0	115.2	L202	L202-A204 VanDerWaalsContact C-N 3.25Å; L202-A204 PolarHBondContact O-N 3.3Å
205	A	38.5	Very low	47.3	Very low	84 Å²	84	105.6 Å²	105.6	69%	0.694	62%	0.62	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	-26.8	-168.3	0	0	0	0	0	115.1
206	C	36.5	Very low	49.5	Very low	114 Å²	114	103.3 Å²	103.3	77%	0.77	59%	0.59	S	S	*	*	S	Bend	trans	-116.7	71.3	-171.6	-62.6	0	0	0	0	112.1
207	R	37.8	Very low	51.8	Low	112 Å²	112	100.5 Å²	100.5	42%	0.423	56%	0.561	S	S	.	*			trans	-157.3	39.9	171.6	-127.2	175.5	-155.5	-135.6	-4	118.5	E211 K216	R207-E211 IonicContact CZ-OE1 3.65Å; R207-E211 IonicContact CZ-OE2 2.78Å; R207-E211 IonicContact NE-OE2 3.49Å; R207-E211 IonicContact NH1-OE1 3.6Å; R207-E211 IonicContact NH1-OE2 3.81Å; R207-E211 PolarHBondContact NH1-OE2 2.61Å; R207-E211 IonicContact NH2-OE1 2.68Å; R207-E211 PolarHBondContact NH2-OE1 3Å; R207-E211 IonicContact NH2-OE2 3.16Å; R207-E211 PolarHBondContact NH2-OE2 3.19Å; R207-E211 VanDerWaalsContact NH2-OE2 3.1Å; R207-K216 PolarHBondContact O-NZ 3.02Å
208	D	39.1	Very low	54.5	Low	163 Å²	163	91 Å²	91	87%	0.872	52%	0.524	S	S	*	.			trans	-116.9	65.5	165.5	-77.8	-24.2	0	0	0	111.8
209	S	41.9	Very low	56.6	Low	113 Å²	113	83.4 Å²	83.4	79%	0.79	50%	0.5	S	S	*	.	S	Bend	trans	-160.2	117.3	151.6	-173.7	0	0	0	0	111.4	E211	S209-E211 PolarHBondContact O-N 3.05Å
210	A	43.3	Very low	59.2	Low	98 Å²	98	81.9 Å²	81.9	81%	0.81	49%	0.491	S	S	*	.	S	Bend	trans	74.8	6.9	160.6	0	0	0	0	0	122.3	T212	A210-T212 PolarHBondContact O-N 2.88Å
211	E	52.5	Low	61.8	Low	65 Å²	65	76.4 Å²	76.4	30%	0.304	46%	0.456	S	S	.	.			trans	-84.2	114	163.9	-81.1	-163.1	-179.2	0	0	111.3	R207 S209 K216	R207-E211 IonicContact CZ-OE1 3.65Å; R207-E211 IonicContact CZ-OE2 2.78Å; R207-E211 IonicContact NE-OE2 3.49Å; R207-E211 IonicContact NH1-OE1 3.6Å; R207-E211 IonicContact NH1-OE2 3.81Å; R207-E211 PolarHBondContact NH1-OE2 2.61Å; R207-E211 IonicContact NH2-OE1 2.68Å; R207-E211 PolarHBondContact NH2-OE1 3Å; R207-E211 IonicContact NH2-OE2 3.16Å; R207-E211 PolarHBondContact NH2-OE2 3.19Å; R207-E211 VanDerWaalsContact NH2-OE2 3.1Å; S209-E211 PolarHBondContact O-N 3.05Å; E211-K216 HydrophobicContact CB-CD 4.46Å; E211-K216 HydrophobicContact CB-CG 3.9Å; E211-K216 WeakPolarHBondContact OE2-CG 3.2Å
212	T	67.9	Low	64.2	Low	91 Å²	91	74.5 Å²	74.5	56%	0.558	44%	0.435	S	S	*	.			trans	-52.9	149.6	170.2	63.2	0	0	0	0	111.2	A210 L214 S215 K216	A210-T212 PolarHBondContact O-N 2.88Å; T212-L214 PolarHBondContact O-N 3.46Å; T212-S215 PolarHBondContact N-OG 2.89Å; T212-S215 PolarHBondContact O-N 3.09Å; T212-S215 PolarHBondContact O-OG 3.4Å; T212-S215 PolarHBondContact OG1-N 3.25Å; T212-S215 PolarHBondContact OG1-OG 3.3Å; T212-S215 VanDerWaalsContact OG1-OG 3.14Å; T212-K216 PolarHBondContact O-N 3.46Å; T212-K216 VanDerWaalsContact O-N 3.12Å
213	S	75.9	Confident	66.4	Low	52 Å²	52	72.5 Å²	72.5	36%	0.364	43%	0.425	S	S	.	.	H	α-helix	trans	-56.4	-28	176.5	57	0	0	0	0	112.8	A217 R249	S213-A217 WeakPolarHBondContact O-CB 3.43Å; S213-A217 PolarHBondContact O-N 3.39Å; S213-A217 VanDerWaalsContact O-N 3.09Å; S213-R249 PolarHBondContact OG-NH2 2.84Å
214	L	83.3	Confident	68.9	Low	48 Å²	48	67.2 Å²	67.2	25%	0.251	41%	0.407	S	S	.	.	H	α-helix	trans	-68.4	-48.6	175.5	-176.7	62.3	0	0	0	111.6	T212 K216 A217 T218 L272 E275 V276 V279	T212-L214 PolarHBondContact O-N 3.46Å; L214-K216 VanDerWaalsContact C-N 3.32Å; L214-K216 PolarHBondContact O-N 2.95Å; L214-A217 PolarHBondContact O-N 2.82Å; L214-A217 VanDerWaalsContact O-N 3.16Å; L214-T218 PolarHBondContact O-N 3.15Å; L214-T218 PolarHBondContact O-OG1 3.3Å; L214-L272 HydrophobicContact CD1-CD1 4.14Å; L214-E275 HydrophobicContact CD1-CB 3.7Å; L214-V276 HydrophobicContact CD1-CG2 3.72Å; L214-V279 HydrophobicContact CD2-CG2 4.12Å
215	S	84.2	Confident	71.4	Confident	36 Å²	36	62.5 Å²	62.5	25%	0.252	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-38.5	178.1	58.4	0	0	0	0	112.2	T212 T218 N219	T212-S215 PolarHBondContact N-OG 2.89Å; T212-S215 PolarHBondContact O-N 3.09Å; T212-S215 PolarHBondContact O-OG 3.4Å; T212-S215 PolarHBondContact OG1-N 3.25Å; T212-S215 PolarHBondContact OG1-OG 3.3Å; T212-S215 VanDerWaalsContact OG1-OG 3.14Å; S215-T218 PolarHBondContact O-N 2.86Å; S215-N219 WeakPolarHBondContact O-CB 3.4Å; S215-N219 VanDerWaalsContact O-CG 3.25Å; S215-N219 PolarHBondContact O-N 3.2Å; S215-N219 PolarHBondContact O-ND2 2.96Å
216	K	85.6	Confident	73.7	Confident	56 Å²	56	64.2 Å²	64.2	24%	0.243	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-49.2	172.5	-69.1	-176.2	-179.5	-174.5	0	110.8	R207 E211 T212 L214 N219 I220	R207-K216 PolarHBondContact O-NZ 3.02Å; E211-K216 HydrophobicContact CB-CD 4.46Å; E211-K216 HydrophobicContact CB-CG 3.9Å; E211-K216 WeakPolarHBondContact OE2-CG 3.2Å; T212-K216 PolarHBondContact O-N 3.46Å; T212-K216 VanDerWaalsContact O-N 3.12Å; L214-K216 VanDerWaalsContact C-N 3.32Å; L214-K216 PolarHBondContact O-N 2.95Å; K216-N219 PolarHBondContact O-N 3.48Å; K216-I220 WeakPolarHBondContact O-CG1 3.18Å; K216-I220 PolarHBondContact O-N 3.04Å; K216-I220 VanDerWaalsContact O-N 3.11Å
217	A	87.7	Confident	76.1	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-63.8	-42.8	178.9	0	0	0	0	0	112.9	S213 L214 N219 I220 I221 L242 L245 L272 V276	S213-A217 WeakPolarHBondContact O-CB 3.43Å; S213-A217 PolarHBondContact O-N 3.39Å; S213-A217 VanDerWaalsContact O-N 3.09Å; L214-A217 PolarHBondContact O-N 2.82Å; L214-A217 VanDerWaalsContact O-N 3.16Å; A217-N219 VanDerWaalsContact C-N 3.34Å; A217-N219 PolarHBondContact O-N 3.3Å; A217-I220 PolarHBondContact O-N 2.86Å; A217-I221 PolarHBondContact O-N 3.05Å; A217-L242 HydrophobicContact CB-CD2 3.74Å; A217-L245 HydrophobicContact CB-CD1 3.73Å; A217-L272 HydrophobicContact CB-CD1 4.11Å; A217-L272 HydrophobicContact CB-CD2 4.15Å; A217-L272 HydrophobicContact CB-CG 4.23Å; A217-V276 HydrophobicContact CB-CG2 3.53Å
218	T	90.4	Very high	78.5	Confident	6 Å²	6	67.7 Å²	67.7	4%	0.037	36%	0.361	C	S	.	.	H	α-helix	trans	-60.3	-43.3	176.2	-57.3	0	0	0	0	111.7	L214 S215 I221 K222 V279 L280	L214-T218 PolarHBondContact O-N 3.15Å; L214-T218 PolarHBondContact O-OG1 3.3Å; S215-T218 PolarHBondContact O-N 2.86Å; T218-I221 PolarHBondContact O-N 3.35Å; T218-K222 VanDerWaalsContact O-CB 3.27Å; T218-K222 WeakPolarHBondContact O-CB 3.42Å; T218-K222 PolarHBondContact O-N 3.05Å; T218-V279 HydrophobicContact CG2-CG1 3.98Å; T218-L280 HydrophobicContact CG2-CD2 3.75Å; T218-L280 HydrophobicContact CG2-CG 4.16Å
219	N	88.8	Confident	80.8	Confident	55 Å²	55	65.4 Å²	65.4	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-39.3	178.6	-72.3	-22.5	0	0	0	112.1	S215 K216 A217 I221 K222 D223	S215-N219 WeakPolarHBondContact O-CB 3.4Å; S215-N219 VanDerWaalsContact O-CG 3.25Å; S215-N219 PolarHBondContact O-N 3.2Å; S215-N219 PolarHBondContact O-ND2 2.96Å; K216-N219 PolarHBondContact O-N 3.48Å; A217-N219 VanDerWaalsContact C-N 3.34Å; A217-N219 PolarHBondContact O-N 3.3Å; N219-I221 PolarHBondContact O-N 3.19Å; N219-K222 PolarHBondContact O-N 3.43Å; N219-D223 VanDerWaalsContact O-CB 3.31Å; N219-D223 WeakPolarHBondContact O-CB 3.35Å; N219-D223 VanDerWaalsContact O-CG 3.26Å; N219-D223 PolarHBondContact O-N 3.08Å
220	I	91.4	Very high	83.1	Confident	59 Å²	59	61.1 Å²	61.1	30%	0.303	32%	0.317	S	S	.	.	H	α-helix	trans	-57.9	-49.9	175.7	-70.1	171.4	0	0	0	111.2	K216 A217 F224 L241 L245	K216-I220 WeakPolarHBondContact O-CG1 3.18Å; K216-I220 PolarHBondContact O-N 3.04Å; K216-I220 VanDerWaalsContact O-N 3.11Å; A217-I220 PolarHBondContact O-N 2.86Å; I220-F224 WeakPolarHBondContact O-CB 3.37Å; I220-F224 PolarHBondContact O-N 3.26Å; I220-L241 HydrophobicContact CG2-CB 4.04Å; I220-L245 HydrophobicContact CD1-CD1 3.7Å; I220-L245 HydrophobicContact CD1-CD2 4.24Å; I220-L245 HydrophobicContact CD1-CG 4.04Å
221	I	91	Very high	85.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.6	-43.8	180	-61.5	-167.9	0	0	0	110.4	A217 T218 N219 D223 F224 L225 V238 L242 L273 V276 L280	A217-I221 PolarHBondContact O-N 3.05Å; T218-I221 PolarHBondContact O-N 3.35Å; N219-I221 PolarHBondContact O-N 3.19Å; I221-D223 VanDerWaalsContact C-N 3.34Å; I221-D223 PolarHBondContact O-N 3.44Å; I221-F224 PolarHBondContact O-N 2.66Å; I221-L225 HydrophobicContact CG2-CD1 4.03Å; I221-L225 HydrophobicContact CG2-CG 4.21Å; I221-L225 VanDerWaalsContact O-CG 3.29Å; I221-L225 WeakPolarHBondContact O-CG 3.47Å; I221-L225 PolarHBondContact O-N 2.87Å; I221-V238 HydrophobicContact CD1-CB 4.3Å; I221-V238 HydrophobicContact CD1-CG2 4.08Å; I221-L242 HydrophobicContact CD1-CD1 4.04Å; I221-L242 HydrophobicContact CD1-CD2 4.18Å; I221-L242 HydrophobicContact CD1-CG 4.19Å; I221-L242 HydrophobicContact CG1-CD2 4.05Å; I221-L242 HydrophobicContact CG1-CG 4.5Å; I221-L273 HydrophobicContact CD1-CD1 3.81Å; I221-V276 HydrophobicContact CB-CG1 4.41Å; I221-V276 HydrophobicContact CD1-CG1 3.73Å; I221-V276 HydrophobicContact CG1-CG1 4.28Å; I221-L280 HydrophobicContact CB-CD1 4.28Å; I221-L280 HydrophobicContact CG2-CD1 3.77Å
222	K	90.6	Very high	87.4	Confident	54 Å²	54	62.7 Å²	62.7	24%	0.235	31%	0.314	C	S	.	.	H	α-helix	trans	-60	-42.9	179.4	-168.7	171.8	-172.9	169.6	0	112.2	T218 N219 K226 L280	T218-K222 VanDerWaalsContact O-CB 3.27Å; T218-K222 WeakPolarHBondContact O-CB 3.42Å; T218-K222 PolarHBondContact O-N 3.05Å; N219-K222 PolarHBondContact O-N 3.43Å; K222-K226 WeakPolarHBondContact O-CG 3.32Å; K222-K226 PolarHBondContact O-N 3.25Å; K222-L280 HydrophobicContact CB-CD2 4.36Å
223	D	88.8	Confident	88.6	Confident	47 Å²	47	58.7 Å²	58.7	25%	0.251	29%	0.289	S	S	.	.	H	α-helix	trans	-63.2	-46.2	175.9	-77	-8.8	0	0	0	111	R203 N219 I221 L225 K226 Q227	R203-D223 IonicContact CZ-OD2 3.48Å; R203-D223 IonicContact NH2-OD2 2.84Å; R203-D223 PolarHBondContact NH2-OD2 3.36Å; N219-D223 VanDerWaalsContact O-CB 3.31Å; N219-D223 WeakPolarHBondContact O-CB 3.35Å; N219-D223 VanDerWaalsContact O-CG 3.26Å; N219-D223 PolarHBondContact O-N 3.08Å; I221-D223 VanDerWaalsContact C-N 3.34Å; I221-D223 PolarHBondContact O-N 3.44Å; D223-L225 PolarHBondContact O-N 3Å; D223-K226 PolarHBondContact O-N 3Å; D223-Q227 WeakPolarHBondContact O-CB 3.29Å; D223-Q227 VanDerWaalsContact O-CG 3.22Å; D223-Q227 WeakPolarHBondContact O-CG 3.26Å; D223-Q227 PolarHBondContact O-N 3.27Å
224	F	92.1	Very high	89.4	Confident	56 Å²	56	60.3 Å²	60.3	25%	0.246	29%	0.287	C	S	.	.	H	α-helix	trans	-58.5	-48.6	178.3	174.4	-96.5	0	0	0	112.2	I220 I221 K226 Q227 R228 V230 V238 L241	I220-F224 WeakPolarHBondContact O-CB 3.37Å; I220-F224 PolarHBondContact O-N 3.26Å; I221-F224 PolarHBondContact O-N 2.66Å; F224-K226 VanDerWaalsContact C-N 3.29Å; F224-K226 PolarHBondContact O-N 2.89Å; F224-Q227 PolarHBondContact O-N 3.39Å; F224-R228 HydrophobicContact CD2-CG 3.99Å; F224-R228 HydrophobicContact CE2-CG 3.74Å; F224-R228 HydrophobicContact CZ-CG 4.13Å; F224-R228 WeakPolarHBondContact O-CB 3.37Å; F224-R228 PolarHBondContact O-N 3.44Å; F224-V230 HydrophobicContact CD1-CG2 4.37Å; F224-V230 HydrophobicContact CE1-CG2 3.96Å; F224-V238 HydrophobicContact CD1-CG1 4.24Å; F224-V238 HydrophobicContact CE1-CG1 4.14Å; F224-L241 HydrophobicContact CB-CD1 3.77Å; F224-L241 HydrophobicContact CD1-CD1 3.67Å; F224-L241 HydrophobicContact CD2-CD1 3.78Å; F224-L241 HydrophobicContact CD2-CD2 4.07Å; F224-L241 HydrophobicContact CE1-CD1 4.17Å; F224-L241 HydrophobicContact CE2-CD1 4.26Å; F224-L241 HydrophobicContact CE2-CD2 4.32Å; F224-L241 HydrophobicContact CG-CD1 3.46Å; F224-L241 VanDerWaalsContact CG-CD1 3.46Å; F224-L241 HydrophobicContact CZ-CD1 4.43Å
225	L	91.4	Very high	89.7	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-59.4	-41.4	179.7	-65.4	174.9	0	0	0	111.6	I221 D223 L229 V230 F233 V286 V299	I221-L225 HydrophobicContact CG2-CD1 4.03Å; I221-L225 HydrophobicContact CG2-CG 4.21Å; I221-L225 VanDerWaalsContact O-CG 3.29Å; I221-L225 WeakPolarHBondContact O-CG 3.47Å; I221-L225 PolarHBondContact O-N 2.87Å; D223-L225 PolarHBondContact O-N 3Å; L225-L229 PolarHBondContact O-N 2.76Å; L225-V230 HydrophobicContact CD2-CB 3.74Å; L225-V230 HydrophobicContact CD2-CG1 3.89Å; L225-V230 HydrophobicContact CD2-CG2 4.11Å; L225-V230 PolarHBondContact O-N 3.33Å; L225-F233 HydrophobicContact CD1-CE1 3.92Å; L225-F233 HydrophobicContact CD1-CZ 4.32Å; L225-F233 HydrophobicContact CD2-CD1 3.6Å; L225-F233 HydrophobicContact CD2-CE1 3.71Å; L225-F233 HydrophobicContact CD2-CG 4.24Å; L225-F233 HydrophobicContact CD2-CZ 4.42Å; L225-F233 HydrophobicContact CG-CE1 4.48Å; L225-V286 HydrophobicContact CD1-CG1 3.93Å; L225-V299 HydrophobicContact CB-CG2 4.44Å; L225-V299 HydrophobicContact CD1-CG2 4.06Å; L225-V299 HydrophobicContact CD2-CG2 3.98Å; L225-V299 HydrophobicContact CG-CG2 4.38Å
226	K	87.9	Confident	89.8	Confident	119 Å²	119	63.2 Å²	63.2	52%	0.517	29%	0.293	S	S	.	.	H	α-helix	trans	-68.8	-46.2	177	-73.2	-179.7	177.1	-172.6	0	112.5	K222 D223 F224 L229	K222-K226 WeakPolarHBondContact O-CG 3.32Å; K222-K226 PolarHBondContact O-N 3.25Å; D223-K226 PolarHBondContact O-N 3Å; F224-K226 VanDerWaalsContact C-N 3.29Å; F224-K226 PolarHBondContact O-N 2.89Å; K226-L229 PolarHBondContact O-N 2.64Å
227	Q	86.2	Confident	89.9	Confident	117 Å²	117	64.6 Å²	64.6	55%	0.547	30%	0.303	S	S	.	.	H	α-helix	trans	-68.5	-38.5	-175.4	-73.8	175.4	11.8	0	0	112.5	D223 F224	D223-Q227 WeakPolarHBondContact O-CB 3.29Å; D223-Q227 VanDerWaalsContact O-CG 3.22Å; D223-Q227 WeakPolarHBondContact O-CG 3.26Å; D223-Q227 PolarHBondContact O-N 3.27Å; F224-Q227 PolarHBondContact O-N 3.39Å
228	R	87.5	Confident	90	Very high	183 Å²	183	64.6 Å²	64.6	69%	0.691	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	1.4	-179.4	-62.5	-62.2	-171.9	174.7	0.9	113.3	F224 V230	F224-R228 HydrophobicContact CD2-CG 3.99Å; F224-R228 HydrophobicContact CE2-CG 3.74Å; F224-R228 HydrophobicContact CZ-CG 4.13Å; F224-R228 WeakPolarHBondContact O-CB 3.37Å; F224-R228 PolarHBondContact O-N 3.44Å; R228-V230 HydrophobicContact CB-CG2 3.65Å; R228-V230 PolarHBondContact O-N 3.18Å
229	L	87.9	Confident	89.8	Confident	114 Å²	114	66.4 Å²	66.4	60%	0.597	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	45.5	-177	-59.1	173.8	0	0	0	111.6	L225 K226 A231	L225-L229 PolarHBondContact O-N 2.76Å; K226-L229 PolarHBondContact O-N 2.64Å; L229-A231 PolarHBondContact O-N 3.23Å
230	V	91.6	Very high	89.6	Confident	23 Å²	23	69.3 Å²	69.3	14%	0.139	33%	0.327	C	S	.	.			trans	-70.7	120.1	-175.3	-177	0	0	0	0	109	F224 L225 R228 K232 F233 V299	F224-V230 HydrophobicContact CD1-CG2 4.37Å; F224-V230 HydrophobicContact CE1-CG2 3.96Å; L225-V230 HydrophobicContact CD2-CB 3.74Å; L225-V230 HydrophobicContact CD2-CG1 3.89Å; L225-V230 HydrophobicContact CD2-CG2 4.11Å; L225-V230 PolarHBondContact O-N 3.33Å; R228-V230 HydrophobicContact CB-CG2 3.65Å; R228-V230 PolarHBondContact O-N 3.18Å; V230-K232 WeakPolarHBondContact CG1-O 3.43Å; V230-F233 HydrophobicContact CG1-CB 4.07Å; V230-F233 HydrophobicContact CG1-CD1 4.33Å; V230-V299 VanDerWaalsContact O-CB 3.27Å; V230-V299 WeakPolarHBondContact O-CB 3.29Å; V230-V299 WeakPolarHBondContact O-CG2 3.45Å
231	A	91.6	Very high	89.3	Confident	51 Å²	51	68.9 Å²	68.9	42%	0.421	33%	0.325	S	S	.	.	S	Bend	trans	-81.4	-39.9	176.2	0	0	0	0	0	112.5	L229 V299 Q302	L229-A231 PolarHBondContact O-N 3.23Å; A231-V299 PolarHBondContact O-N 3.28Å; A231-Q302 HydrophobicContact CB-CB 4.31Å
232	K	93.2	Very high	89	Confident	145 Å²	145	68.9 Å²	68.9	63%	0.63	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.9	148.9	-178.2	61.9	-175	178.3	-177	0	110.5	V230 V296 Y297	V230-K232 WeakPolarHBondContact CG1-O 3.43Å; K232-V296 HydrophobicContact CB-CG1 4.39Å; K232-Y297 CarbonylContact C-O 3.55Å; K232-Y297 WeakPolarHBondContact CA-O 3.46Å
233	F	93.7	Very high	88.4	Confident	8 Å²	8	71.5 Å²	71.5	4%	0.035	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	160.2	178.2	68.1	-81.1	0	0	0	110.9	L225 V230 D237 V238 L277 V286 Y297 V299	L225-F233 HydrophobicContact CD1-CE1 3.92Å; L225-F233 HydrophobicContact CD1-CZ 4.32Å; L225-F233 HydrophobicContact CD2-CD1 3.6Å; L225-F233 HydrophobicContact CD2-CE1 3.71Å; L225-F233 HydrophobicContact CD2-CG 4.24Å; L225-F233 HydrophobicContact CD2-CZ 4.42Å; L225-F233 HydrophobicContact CG-CE1 4.48Å; V230-F233 HydrophobicContact CG1-CB 4.07Å; V230-F233 HydrophobicContact CG1-CD1 4.33Å; F233-D237 HydrophobicContact CB-CB 4.4Å; F233-V238 HydrophobicContact CD2-CG1 3.75Å; F233-V238 HydrophobicContact CD2-CG2 3.92Å; F233-V238 HydrophobicContact CE2-CG1 4.18Å; F233-V238 HydrophobicContact CE2-CG2 3.83Å; F233-V238 HydrophobicContact CG-CG1 4.3Å; F233-L277 HydrophobicContact CE2-CD2 3.8Å; F233-L277 HydrophobicContact CZ-CD2 3.93Å; F233-V286 HydrophobicContact CE1-CG1 3.89Å; F233-V286 HydrophobicContact CZ-CG1 4.16Å; F233-Y297 HydrophobicContact CE2-CG 4.39Å; F233-Y297 HydrophobicContact CZ-CG 4.13Å; F233-Y297 PolarHBondContact N-O 3.39Å; F233-Y297 PolarHBondContact O-N 3.27Å; F233-V299 HydrophobicContact CD1-CG2 4.16Å; F233-V299 HydrophobicContact CE1-CG2 4.07Å
234	R	91.9	Very high	87.8	Confident	86 Å²	86	73.5 Å²	73.5	33%	0.325	35%	0.353	S	S	.	.			trans	-103.7	155.5	168.5	-70.6	170.6	173.5	161.5	-1.4	109.7	Y236 D237 D294 V296	R234-Y236 HydrophobicContact CB-CD1 3.96Å; R234-Y236 HydrophobicContact CB-CE1 3.57Å; R234-Y236 HydrophobicContact CB-CE2 4.23Å; R234-Y236 HydrophobicContact CB-CG 4.47Å; R234-Y236 VanDerWaalsContact CD-CE1 3.46Å; R234-Y236 WeakPolarHBondContact CD-OH 3.48Å; R234-Y236 HydrophobicContact CG-CE1 4.13Å; R234-Y236 PolarHBondContact NH1-OH 3.1Å; R234-Y236 PolarHBondContact O-N 3.32Å; R234-Y236 VanDerWaalsContact O-N 3.15Å; R234-D237 PolarHBondContact N-OD2 3.24Å; R234-D237 WeakPolarHBondContact O-CB 3.47Å; R234-D237 PolarHBondContact O-N 2.82Å; R234-D294 IonicContact CZ-OD1 2.87Å; R234-D294 IonicContact CZ-OD2 3.33Å; R234-D294 IonicContact NE-OD1 3.92Å; R234-D294 PolarHBondContact NE-OD1 2.78Å; R234-D294 IonicContact NE-OD2 3.79Å; R234-D294 PolarHBondContact NE-OD2 3.22Å; R234-D294 IonicContact NH2-OD1 2.76Å; R234-D294 PolarHBondContact NH2-OD1 2.9Å; R234-D294 IonicContact NH2-OD2 2.66Å; R234-D294 PolarHBondContact NH2-OD2 3.07Å; R234-V296 HydrophobicContact CG-CG2 4.13Å
235	P	89.9	Confident	87	Confident	23 Å²	23	73.2 Å²	73.2	15%	0.149	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-52.4	-39.9	-176.8	-30.4	35.8	0	0	0	114.1	D237 V238 Q239 L273 L277 E295 Y297	P235-D237 VanDerWaalsContact C-N 3.27Å; P235-D237 PolarHBondContact O-N 3.46Å; P235-V238 VanDerWaalsContact O-CG2 3.27Å; P235-V238 WeakPolarHBondContact O-CG2 3.47Å; P235-V238 PolarHBondContact O-N 3.43Å; P235-Q239 PolarHBondContact O-N 2.88Å; P235-L273 HydrophobicContact CB-CD2 3.96Å; P235-L273 WeakPolarHBondContact O-CD2 3.46Å; P235-L277 HydrophobicContact CB-CD1 4.1Å; P235-L277 HydrophobicContact CG-CD1 4.11Å; P235-E295 VanDerWaalsContact CD-O 3.26Å; P235-E295 WeakPolarHBondContact CD-O 3.19Å; P235-E295 HydrophobicContact CG-CB 4.27Å; P235-Y297 HydrophobicContact CG-CD2 4.32Å; P235-Y297 HydrophobicContact CG-CE2 3.95Å
236	Y	87.3	Confident	86.1	Confident	121 Å²	121	73.6 Å²	73.6	48%	0.475	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-68.6	-22.6	-179.9	59.4	-105.1	0	0	0	113.4	R234 V238 Q239	R234-Y236 HydrophobicContact CB-CD1 3.96Å; R234-Y236 HydrophobicContact CB-CE1 3.57Å; R234-Y236 HydrophobicContact CB-CE2 4.23Å; R234-Y236 HydrophobicContact CB-CG 4.47Å; R234-Y236 VanDerWaalsContact CD-CE1 3.46Å; R234-Y236 WeakPolarHBondContact CD-OH 3.48Å; R234-Y236 HydrophobicContact CG-CE1 4.13Å; R234-Y236 PolarHBondContact NH1-OH 3.1Å; R234-Y236 PolarHBondContact O-N 3.32Å; R234-Y236 VanDerWaalsContact O-N 3.15Å; Y236-V238 PolarHBondContact O-N 2.9Å; Y236-Q239 PolarHBondContact O-N 3.16Å
237	D	87.6	Confident	85.1	Confident	86 Å²	86	70.8 Å²	70.8	46%	0.46	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-68	-23	178	-60.7	-35.5	0	0	0	112.4	F233 R234 P235	F233-D237 HydrophobicContact CB-CB 4.4Å; R234-D237 PolarHBondContact N-OD2 3.24Å; R234-D237 WeakPolarHBondContact O-CB 3.47Å; R234-D237 PolarHBondContact O-N 2.82Å; P235-D237 VanDerWaalsContact C-N 3.27Å; P235-D237 PolarHBondContact O-N 3.46Å
238	V	89.2	Confident	83.8	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-0.4	-177.3	-63.2	0	0	0	0	112.6	I221 F224 F233 P235 Y236 L241 L273	I221-V238 HydrophobicContact CD1-CB 4.3Å; I221-V238 HydrophobicContact CD1-CG2 4.08Å; F224-V238 HydrophobicContact CD1-CG1 4.24Å; F224-V238 HydrophobicContact CE1-CG1 4.14Å; F233-V238 HydrophobicContact CD2-CG1 3.75Å; F233-V238 HydrophobicContact CD2-CG2 3.92Å; F233-V238 HydrophobicContact CE2-CG1 4.18Å; F233-V238 HydrophobicContact CE2-CG2 3.83Å; F233-V238 HydrophobicContact CG-CG1 4.3Å; P235-V238 VanDerWaalsContact O-CG2 3.27Å; P235-V238 WeakPolarHBondContact O-CG2 3.47Å; P235-V238 PolarHBondContact O-N 3.43Å; Y236-V238 PolarHBondContact O-N 2.9Å; V238-L241 HydrophobicContact CB-CD1 4.05Å; V238-L241 HydrophobicContact CG1-CD1 4.23Å; V238-L241 WeakPolarHBondContact O-CB 3.45Å; V238-L241 PolarHBondContact O-N 2.73Å; V238-L273 HydrophobicContact CG2-CD1 3.91Å
239	Q	86.1	Confident	82.4	Confident	44 Å²	44	65.4 Å²	65.4	21%	0.206	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-43.4	-175.9	178	164.2	17.8	0	0	112	P235 Y236 L241 L242 L269 N270 L273	P235-Q239 PolarHBondContact O-N 2.88Å; Y236-Q239 PolarHBondContact O-N 3.16Å; Q239-L241 PolarHBondContact O-N 3.19Å; Q239-L242 PolarHBondContact O-N 2.93Å; Q239-L242 VanDerWaalsContact O-N 3.08Å; Q239-L269 HydrophobicContact CG-CD1 4.29Å; Q239-L269 HydrophobicContact CG-CD2 3.57Å; Q239-L269 HydrophobicContact CG-CG 3.86Å; Q239-N270 PolarHBondContact NE2-OD1 3.33Å; Q239-L273 HydrophobicContact CB-CD2 4.14Å; Q239-L273 HydrophobicContact CG-CD2 4.47Å
240	D	84.1	Confident	80.9	Confident	115 Å²	115	63.9 Å²	63.9	62%	0.615	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-63.7	-24.7	-178.3	-64.4	-20.7	0	0	0	112.7	L242 Q243	D240-L242 PolarHBondContact O-N 3.16Å; D240-Q243 WeakPolarHBondContact O-CB 3.28Å; D240-Q243 PolarHBondContact O-N 2.98Å
241	L	85.1	Confident	79	Confident	51 Å²	51	70.3 Å²	70.3	27%	0.267	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-64.2	-24.6	177.1	-57.4	175.8	0	0	0	112.5	I220 F224 V238 Q239	I220-L241 HydrophobicContact CG2-CB 4.04Å; F224-L241 HydrophobicContact CB-CD1 3.77Å; F224-L241 HydrophobicContact CD1-CD1 3.67Å; F224-L241 HydrophobicContact CD2-CD1 3.78Å; F224-L241 HydrophobicContact CD2-CD2 4.07Å; F224-L241 HydrophobicContact CE1-CD1 4.17Å; F224-L241 HydrophobicContact CE2-CD1 4.26Å; F224-L241 HydrophobicContact CE2-CD2 4.32Å; F224-L241 HydrophobicContact CG-CD1 3.46Å; F224-L241 VanDerWaalsContact CG-CD1 3.46Å; F224-L241 HydrophobicContact CZ-CD1 4.43Å; V238-L241 HydrophobicContact CB-CD1 4.05Å; V238-L241 HydrophobicContact CG1-CD1 4.23Å; V238-L241 WeakPolarHBondContact O-CB 3.45Å; V238-L241 PolarHBondContact O-N 2.73Å; Q239-L241 PolarHBondContact O-N 3.19Å
242	L	84.4	Confident	77	Confident	0 Å²	0	73 Å²	73	0%	0	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-96.3	-10.8	-177.5	-59.3	-173.3	0	0	0	113.2	A217 I221 Q239 D240 P244 L245 L269 L272 L273	A217-L242 HydrophobicContact CB-CD2 3.74Å; I221-L242 HydrophobicContact CD1-CD1 4.04Å; I221-L242 HydrophobicContact CD1-CD2 4.18Å; I221-L242 HydrophobicContact CD1-CG 4.19Å; I221-L242 HydrophobicContact CG1-CD2 4.05Å; I221-L242 HydrophobicContact CG1-CG 4.5Å; Q239-L242 PolarHBondContact O-N 2.93Å; Q239-L242 VanDerWaalsContact O-N 3.08Å; D240-L242 PolarHBondContact O-N 3.16Å; L242-P244 VanDerWaalsContact C-CD 3.43Å; L242-L245 HydrophobicContact CD2-CD1 4.36Å; L242-L245 WeakPolarHBondContact O-CB 3.47Å; L242-L245 PolarHBondContact O-N 3.39Å; L242-L245 VanDerWaalsContact O-N 3.16Å; L242-L269 HydrophobicContact CB-CD1 3.57Å; L242-L272 HydrophobicContact CD1-CD2 4.42Å; L242-L272 HydrophobicContact CD1-CG 4.32Å; L242-L273 HydrophobicContact CD1-CB 4.09Å; L242-L273 HydrophobicContact CD1-CD1 4.01Å
243	Q	78.5	Confident	74.9	Confident	108 Å²	108	71.7 Å²	71.7	51%	0.505	37%	0.366	S	S	.	.	H	α-helix	trans	-55.7	-41.4	-179.1	-169.5	179.6	-5.3	0	0	113.7	D240 L245 I246 S247	D240-Q243 WeakPolarHBondContact O-CB 3.28Å; D240-Q243 PolarHBondContact O-N 2.98Å; Q243-L245 VanDerWaalsContact C-N 3.26Å; Q243-L245 PolarHBondContact O-N 3.24Å; Q243-I246 PolarHBondContact O-N 3.18Å; Q243-S247 PolarHBondContact O-N 2.91Å; Q243-S247 PolarHBondContact O-OG 2.94Å
244	P	77.3	Confident	72.6	Confident	89 Å²	89	76.4 Å²	76.4	58%	0.578	40%	0.4	S	S	*	.	H	α-helix	trans	-61	-31.8	178.9	-24.2	35.3	0	0	0	113.9	L242 I246 S248	L242-P244 VanDerWaalsContact C-CD 3.43Å; P244-I246 VanDerWaalsContact C-N 3.31Å; P244-I246 PolarHBondContact O-N 2.88Å; P244-S248 PolarHBondContact O-N 3.47Å
245	L	74.3	Confident	70.3	Confident	50 Å²	50	77.1 Å²	77.1	26%	0.262	42%	0.424	S	S	.	.	H	α-helix	trans	-71.2	-28.1	-179.6	-65.8	179.6	0	0	0	112.6	A217 I220 L242 Q243 R249	A217-L245 HydrophobicContact CB-CD1 3.73Å; I220-L245 HydrophobicContact CD1-CD1 3.7Å; I220-L245 HydrophobicContact CD1-CD2 4.24Å; I220-L245 HydrophobicContact CD1-CG 4.04Å; L242-L245 HydrophobicContact CD2-CD1 4.36Å; L242-L245 WeakPolarHBondContact O-CB 3.47Å; L242-L245 PolarHBondContact O-N 3.39Å; L242-L245 VanDerWaalsContact O-N 3.16Å; Q243-L245 VanDerWaalsContact C-N 3.26Å; Q243-L245 PolarHBondContact O-N 3.24Å; L245-R249 PolarHBondContact O-N 3.43Å
246	I	72	Confident	68.2	Low	13 Å²	13	78.6 Å²	78.6	7%	0.067	44%	0.443	C	S	.	.	H	α-helix	trans	-86.1	-39	-177.3	-61.1	175.9	0	0	0	110.6	Q243 P244 S248 R249 L250 L269 L272	Q243-I246 PolarHBondContact O-N 3.18Å; P244-I246 VanDerWaalsContact C-N 3.31Å; P244-I246 PolarHBondContact O-N 2.88Å; I246-S248 PolarHBondContact O-N 3.21Å; I246-R249 PolarHBondContact O-N 3Å; I246-R249 VanDerWaalsContact O-N 3.09Å; I246-L250 HydrophobicContact CG2-CD1 4.11Å; I246-L250 PolarHBondContact O-N 3.3Å; I246-L269 HydrophobicContact CD1-CB 3.27Å; I246-L269 HydrophobicContact CD1-CD1 3.34Å; I246-L269 HydrophobicContact CD1-CG 3.8Å; I246-L272 HydrophobicContact CG1-CD2 4.4Å
247	S	67	Low	65.8	Low	59 Å²	59	82.2 Å²	82.2	41%	0.413	47%	0.465	S	S	.	.	H	α-helix	trans	-57.4	-39.8	172	-59.7	0	0	0	0	111.7	Q243 Q251	Q243-S247 PolarHBondContact O-N 2.91Å; Q243-S247 PolarHBondContact O-OG 2.94Å; S247-Q251 WeakPolarHBondContact O-CG 3.5Å; S247-Q251 PolarHBondContact O-N 3.26Å
248	S	59.1	Low	63.5	Low	74 Å²	74	87 Å²	87	52%	0.517	48%	0.484	S	S	.	.	H	α-helix	trans	-65.7	-36.3	174.9	176.7	0	0	0	0	113.1	P244 I246 T252	P244-S248 PolarHBondContact O-N 3.47Å; I246-S248 PolarHBondContact O-N 3.21Å; S248-T252 PolarHBondContact O-N 3.09Å; S248-T252 PolarHBondContact O-OG1 2.92Å
249	R	59.2	Low	61.3	Low	113 Å²	113	92.2 Å²	92.2	43%	0.426	53%	0.527	S	S	.	.	H	α-helix	trans	-71.3	-37.6	178.3	-175.5	-176.5	-88.9	-150.8	-3.1	112.9	S213 L245 I246 Q251 T252 Q253	S213-R249 PolarHBondContact OG-NH2 2.84Å; L245-R249 PolarHBondContact O-N 3.43Å; I246-R249 PolarHBondContact O-N 3Å; I246-R249 VanDerWaalsContact O-N 3.09Å; R249-Q251 VanDerWaalsContact C-N 3.32Å; R249-T252 WeakPolarHBondContact CA-OG1 3.22Å; R249-T252 PolarHBondContact O-N 3.26Å; R249-T252 PolarHBondContact O-OG1 3Å; R249-T252 VanDerWaalsContact O-OG1 3.14Å; R249-Q253 PolarHBondContact O-N 3.39Å
250	L	56.6	Low	59.1	Low	83 Å²	83	96.6 Å²	96.6	44%	0.435	56%	0.557	S	S	.	*	H	α-helix	trans	-68.1	-32.4	177.6	-74.7	162.2	0	0	0	112.1	I246	I246-L250 HydrophobicContact CG2-CD1 4.11Å; I246-L250 PolarHBondContact O-N 3.3Å
251	Q	51.9	Low	57.3	Low	157 Å²	157	96.1 Å²	96.1	73%	0.734	57%	0.569	S	S	*	*	H	α-helix	trans	-70.2	-31.1	176.2	-72.3	177.3	-6.1	0	0	113.1	S247 R249	S247-Q251 WeakPolarHBondContact O-CG 3.5Å; S247-Q251 PolarHBondContact O-N 3.26Å; R249-Q251 VanDerWaalsContact C-N 3.32Å
252	T	49.1	Very low	55.7	Low	108 Å²	108	96.3 Å²	96.3	66%	0.663	58%	0.583	S	S	*	*	H	α-helix	trans	-78.7	-25.4	178.6	15	0	0	0	0	113.4	S248 R249	S248-T252 PolarHBondContact O-N 3.09Å; S248-T252 PolarHBondContact O-OG1 2.92Å; R249-T252 WeakPolarHBondContact CA-OG1 3.22Å; R249-T252 PolarHBondContact O-N 3.26Å; R249-T252 PolarHBondContact O-OG1 3Å; R249-T252 VanDerWaalsContact O-OG1 3.14Å
253	Q	47.7	Very low	54.3	Low	118 Å²	118	99.8 Å²	99.8	55%	0.551	61%	0.605	S	S	*	*	H	α-helix	trans	-84.6	-15.6	179.1	-69.9	-177	-6.9	0	0	114.1	R249 A255	R249-Q253 PolarHBondContact O-N 3.39Å; Q253-A255 PolarHBondContact O-N 2.99Å
254	S	45.6	Very low	53.9	Low	107 Å²	107	97.6 Å²	97.6	75%	0.748	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-15.6	-178.4	-172.8	0	0	0	0	114.2	G256	S254-G256 VanDerWaalsContact C-N 3.34Å; S254-G256 PolarHBondContact O-N 3Å
255	A	44.2	Very low	53.3	Low	100 Å²	100	94.8 Å²	94.8	83%	0.826	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	1.4	-174.2	0	0	0	0	0	115.3	Q253	Q253-A255 PolarHBondContact O-N 2.99Å
256	G	45.1	Very low	53.1	Low	55 Å²	55	96.5 Å²	96.5	57%	0.567	60%	0.604	S	S	*	*	S	Bend	trans	168.9	90.6	172.4	0	0	0	0	0	114.6	S254	S254-G256 VanDerWaalsContact C-N 3.34Å; S254-G256 PolarHBondContact O-N 3Å
257	Q	38.3	Very low	53.4	Low	197 Å²	197	101.3 Å²	101.3	92%	0.921	63%	0.627	S	S	*	*			trans	178.7	143.9	141.5	-99.1	160.5	18.3	0	0	110
258	E	37.8	Very low	54	Low	187 Å²	187	100.5 Å²	100.5	87%	0.874	62%	0.616	S	S	*	*			trans	-57.1	148.2	179.8	-70.5	177.4	145.7	0	0	112.8	V260	E258-V260 PolarHBondContact O-N 3.03Å
259	A	43.2	Very low	55.1	Low	109 Å²	109	97.8 Å²	97.8	90%	0.901	60%	0.596	S	S	*	*			trans	-65.3	89.4	-174.8	0	0	0	0	0	112.7
260	V	41.3	Very low	56.3	Low	135 Å²	135	96.4 Å²	96.4	82%	0.818	60%	0.597	S	S	*	*			trans	-87.5	132.6	152.5	-177.5	0	0	0	0	107	E258 G262	E258-V260 PolarHBondContact O-N 3.03Å; V260-G262 VanDerWaalsContact C-N 3.27Å; V260-G262 PolarHBondContact O-N 3.1Å
261	A	44.7	Very low	57.7	Low	106 Å²	106	97 Å²	97	88%	0.876	60%	0.597	S	S	*	*			trans	-61.1	84.5	-179.5	0	0	0	0	0	111.4
262	G	52.3	Low	59.4	Low	54 Å²	54	90.5 Å²	90.5	56%	0.557	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-69.7	160.6	174	0	0	0	0	0	111.6	V260 S264	V260-G262 VanDerWaalsContact C-N 3.27Å; V260-G262 PolarHBondContact O-N 3.1Å; G262-S264 PolarHBondContact O-N 3.19Å
263	P	55.8	Low	61.4	Low	73 Å²	73	85.7 Å²	85.7	47%	0.474	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-56.7	134.6	177.6	21.9	-30.7	0	0	0	110	Q267 Q268	P263-Q267 VanDerWaalsContact CA-OE1 3.22Å; P263-Q267 HydrophobicContact CB-CB 3.94Å; P263-Q268 HydrophobicContact CB-CG 4.34Å; P263-Q268 HydrophobicContact CG-CG 4.06Å; P263-Q268 PolarHBondContact O-NE2 3.45Å
264	S	68.5	Low	63.4	Low	62 Å²	62	87 Å²	87	43%	0.434	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-56.3	153.5	-178.7	68.4	0	0	0	0	110.9	G262 C266 Q267 Q268	G262-S264 PolarHBondContact O-N 3.19Å; S264-C266 PolarHBondContact O-N 3.43Å; S264-Q267 WeakPolarHBondContact O-CA 3.31Å; S264-Q267 WeakPolarHBondContact O-CB 3.26Å; S264-Q267 PolarHBondContact O-N 2.57Å; S264-Q268 PolarHBondContact O-N 3.02Å; S264-Q268 VanDerWaalsContact O-N 3.1Å
265	G	66.3	Low	65.5	Low	30 Å²	30	85.7 Å²	85.7	31%	0.309	52%	0.524	S	S	.	.	H	α-helix	trans	-51.7	-32.7	179.8	0	0	0	0	0	113.3	Q268 L269	G265-Q268 PolarHBondContact O-N 2.71Å; G265-L269 WeakPolarHBondContact O-CB 3.44Å; G265-L269 PolarHBondContact O-N 3.35Å
266	C	70.4	Confident	67.8	Low	86 Å²	86	80.9 Å²	80.9	58%	0.581	48%	0.484	S	S	*	.	H	α-helix	trans	-67.4	-36.8	174	-58.5	0	0	0	0	113.4	S264 L269 N270	S264-C266 PolarHBondContact O-N 3.43Å; C266-L269 PolarHBondContact O-N 3.4Å; C266-N270 VanDerWaalsContact O-CG 3.23Å; C266-N270 PolarHBondContact O-N 3.22Å; C266-N270 PolarHBondContact O-ND2 2.88Å
267	Q	77.3	Confident	70	Confident	115 Å²	115	78.5 Å²	78.5	54%	0.537	46%	0.459	S	S	.	.	H	α-helix	trans	-69.5	-40.6	175.6	-71.1	175.1	-7.5	0	0	111.4	P263 S264 L269 N270 Q271	P263-Q267 VanDerWaalsContact CA-OE1 3.22Å; P263-Q267 HydrophobicContact CB-CB 3.94Å; S264-Q267 WeakPolarHBondContact O-CA 3.31Å; S264-Q267 WeakPolarHBondContact O-CB 3.26Å; S264-Q267 PolarHBondContact O-N 2.57Å; Q267-L269 VanDerWaalsContact C-N 3.29Å; Q267-L269 PolarHBondContact O-N 3.25Å; Q267-N270 PolarHBondContact O-N 3.19Å; Q267-Q271 WeakPolarHBondContact O-CB 3.3Å; Q267-Q271 PolarHBondContact O-N 2.97Å
268	Q	78.9	Confident	72.6	Confident	41 Å²	41	73.8 Å²	73.8	19%	0.192	44%	0.436	C	S	.	.	H	α-helix	trans	-63.1	-38.1	174.5	-62.7	-176.8	1.2	0	0	111.5	P263 S264 G265 Q271 L272	P263-Q268 HydrophobicContact CB-CG 4.34Å; P263-Q268 HydrophobicContact CG-CG 4.06Å; P263-Q268 PolarHBondContact O-NE2 3.45Å; S264-Q268 PolarHBondContact O-N 3.02Å; S264-Q268 VanDerWaalsContact O-N 3.1Å; G265-Q268 PolarHBondContact O-N 2.71Å; Q268-Q271 PolarHBondContact O-N 2.9Å; Q268-L272 WeakPolarHBondContact O-CB 3.42Å; Q268-L272 PolarHBondContact O-N 3.17Å
269	L	83.3	Confident	75.2	Confident	17 Å²	17	66.8 Å²	66.8	9%	0.089	41%	0.406	C	S	.	.	H	α-helix	trans	-63.9	-47.8	175.6	-178.7	55.7	0	0	0	112.6	Q239 L242 I246 G265 C266 Q267 Q271 L272 L273	Q239-L269 HydrophobicContact CG-CD1 4.29Å; Q239-L269 HydrophobicContact CG-CD2 3.57Å; Q239-L269 HydrophobicContact CG-CG 3.86Å; L242-L269 HydrophobicContact CB-CD1 3.57Å; I246-L269 HydrophobicContact CD1-CB 3.27Å; I246-L269 HydrophobicContact CD1-CD1 3.34Å; I246-L269 HydrophobicContact CD1-CG 3.8Å; G265-L269 WeakPolarHBondContact O-CB 3.44Å; G265-L269 PolarHBondContact O-N 3.35Å; C266-L269 PolarHBondContact O-N 3.4Å; Q267-L269 VanDerWaalsContact C-N 3.29Å; Q267-L269 PolarHBondContact O-N 3.25Å; L269-Q271 VanDerWaalsContact C-N 3.29Å; L269-Q271 PolarHBondContact O-N 3.09Å; L269-L272 PolarHBondContact O-N 3.22Å; L269-L273 VanDerWaalsContact O-CB 3.28Å; L269-L273 WeakPolarHBondContact O-CB 3.44Å; L269-L273 PolarHBondContact O-N 3.32Å
270	N	84.5	Confident	77.6	Confident	84 Å²	84	61.6 Å²	61.6	45%	0.449	36%	0.364	S	S	.	.	H	α-helix	trans	-62.7	-39	177.8	-70.6	-22.5	0	0	0	111.6	Q239 C266 Q267 K274	Q239-N270 PolarHBondContact NE2-OD1 3.33Å; C266-N270 VanDerWaalsContact O-CG 3.23Å; C266-N270 PolarHBondContact O-N 3.22Å; C266-N270 PolarHBondContact O-ND2 2.88Å; Q267-N270 PolarHBondContact O-N 3.19Å; N270-K274 WeakPolarHBondContact O-CB 3.39Å; N270-K274 PolarHBondContact O-N 3.15Å
271	Q	86.3	Confident	80	Confident	95 Å²	95	57.3 Å²	57.3	44%	0.444	34%	0.335	S	S	.	.	H	α-helix	trans	-67.1	-47	177.5	-176.3	56.6	36	0	0	111.8	Q267 Q268 L269 L273 K274 E275	Q267-Q271 WeakPolarHBondContact O-CB 3.3Å; Q267-Q271 PolarHBondContact O-N 2.97Å; Q268-Q271 PolarHBondContact O-N 2.9Å; L269-Q271 VanDerWaalsContact C-N 3.29Å; L269-Q271 PolarHBondContact O-N 3.09Å; Q271-L273 VanDerWaalsContact C-N 3.35Å; Q271-L273 PolarHBondContact O-N 2.92Å; Q271-K274 WeakPolarHBondContact O-CB 3.09Å; Q271-K274 PolarHBondContact O-N 3.42Å; Q271-E275 PolarHBondContact NE2-OE1 3.47Å; Q271-E275 WeakPolarHBondContact O-CG 3.45Å; Q271-E275 PolarHBondContact O-N 3.44Å
272	L	87.6	Confident	82.2	Confident	21 Å²	21	57.3 Å²	57.3	11%	0.11	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-45	176.2	179.1	62.9	0	0	0	111.4	L214 A217 L242 I246 Q268 L269 K274 E275 V276	L214-L272 HydrophobicContact CD1-CD1 4.14Å; A217-L272 HydrophobicContact CB-CD1 4.11Å; A217-L272 HydrophobicContact CB-CD2 4.15Å; A217-L272 HydrophobicContact CB-CG 4.23Å; L242-L272 HydrophobicContact CD1-CD2 4.42Å; L242-L272 HydrophobicContact CD1-CG 4.32Å; I246-L272 HydrophobicContact CG1-CD2 4.4Å; Q268-L272 WeakPolarHBondContact O-CB 3.42Å; Q268-L272 PolarHBondContact O-N 3.17Å; L269-L272 PolarHBondContact O-N 3.22Å; L272-K274 VanDerWaalsContact C-N 3.31Å; L272-K274 PolarHBondContact O-N 2.95Å; L272-E275 PolarHBondContact O-N 3.06Å; L272-V276 HydrophobicContact CD1-CG2 4.31Å; L272-V276 HydrophobicContact CG-CG2 4.44Å; L272-V276 VanDerWaalsContact O-CG2 3.28Å; L272-V276 WeakPolarHBondContact O-CG2 3.27Å; L272-V276 PolarHBondContact O-N 2.81Å
273	L	89.6	Confident	84.1	Confident	8 Å²	8	58.9 Å²	58.9	4%	0.042	31%	0.313	C	S	.	.	H	α-helix	trans	-60	-43.3	177.4	178.4	59.9	0	0	0	111.2	I221 P235 V238 Q239 L242 L269 Q271 E275 V276 L277	I221-L273 HydrophobicContact CD1-CD1 3.81Å; P235-L273 HydrophobicContact CB-CD2 3.96Å; P235-L273 WeakPolarHBondContact O-CD2 3.46Å; V238-L273 HydrophobicContact CG2-CD1 3.91Å; Q239-L273 HydrophobicContact CB-CD2 4.14Å; Q239-L273 HydrophobicContact CG-CD2 4.47Å; L242-L273 HydrophobicContact CD1-CB 4.09Å; L242-L273 HydrophobicContact CD1-CD1 4.01Å; L269-L273 VanDerWaalsContact O-CB 3.28Å; L269-L273 WeakPolarHBondContact O-CB 3.44Å; L269-L273 PolarHBondContact O-N 3.32Å; Q271-L273 VanDerWaalsContact C-N 3.35Å; Q271-L273 PolarHBondContact O-N 2.92Å; L273-E275 PolarHBondContact O-N 3.09Å; L273-V276 PolarHBondContact O-N 2.94Å; L273-L277 HydrophobicContact CD1-CD1 4.05Å; L273-L277 HydrophobicContact CD1-CG 4.08Å; L273-L277 HydrophobicContact CG-CD1 3.94Å; L273-L277 HydrophobicContact CG-CG 4.4Å; L273-L277 WeakPolarHBondContact O-CB 3.38Å; L273-L277 WeakPolarHBondContact O-CG 3.48Å; L273-L277 PolarHBondContact O-N 2.78Å
274	K	89.9	Confident	85.8	Confident	144 Å²	144	55.4 Å²	55.4	63%	0.626	29%	0.29	S	S	*	.	H	α-helix	trans	-61.2	-43.8	177.2	-172.4	179.5	-179.4	-177.8	0	112	N270 Q271 L272 L277 Q278	N270-K274 WeakPolarHBondContact O-CB 3.39Å; N270-K274 PolarHBondContact O-N 3.15Å; Q271-K274 WeakPolarHBondContact O-CB 3.09Å; Q271-K274 PolarHBondContact O-N 3.42Å; L272-K274 VanDerWaalsContact C-N 3.31Å; L272-K274 PolarHBondContact O-N 2.95Å; K274-L277 PolarHBondContact O-N 3.25Å; K274-Q278 PolarHBondContact O-N 3.48Å
275	E	90.6	Very high	87	Confident	80 Å²	80	53.4 Å²	53.4	37%	0.374	28%	0.275	S	S	.	.	H	α-helix	trans	-63.8	-44.6	176	-72.2	169.8	-160.5	0	0	111.7	L214 Q271 L272 L273 L277 Q278 V279	L214-E275 HydrophobicContact CD1-CB 3.7Å; Q271-E275 PolarHBondContact NE2-OE1 3.47Å; Q271-E275 WeakPolarHBondContact O-CG 3.45Å; Q271-E275 PolarHBondContact O-N 3.44Å; L272-E275 PolarHBondContact O-N 3.06Å; L273-E275 PolarHBondContact O-N 3.09Å; E275-L277 PolarHBondContact O-N 3.16Å; E275-Q278 WeakPolarHBondContact O-CB 3.48Å; E275-Q278 PolarHBondContact O-N 3.29Å; E275-V279 WeakPolarHBondContact O-CG2 3.36Å; E275-V279 PolarHBondContact O-N 3.2Å
276	V	91.9	Very high	88.3	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-61.3	-45.3	177.1	171.7	0	0	0	0	111.2	L214 A217 I221 L272 L273 Q278 V279 L280	L214-V276 HydrophobicContact CD1-CG2 3.72Å; A217-V276 HydrophobicContact CB-CG2 3.53Å; I221-V276 HydrophobicContact CB-CG1 4.41Å; I221-V276 HydrophobicContact CD1-CG1 3.73Å; I221-V276 HydrophobicContact CG1-CG1 4.28Å; L272-V276 HydrophobicContact CD1-CG2 4.31Å; L272-V276 HydrophobicContact CG-CG2 4.44Å; L272-V276 VanDerWaalsContact O-CG2 3.28Å; L272-V276 WeakPolarHBondContact O-CG2 3.27Å; L272-V276 PolarHBondContact O-N 2.81Å; L273-V276 PolarHBondContact O-N 2.94Å; V276-Q278 VanDerWaalsContact C-N 3.3Å; V276-Q278 PolarHBondContact O-N 3.16Å; V276-V279 PolarHBondContact O-N 2.81Å; V276-L280 HydrophobicContact CG1-CD1 3.98Å; V276-L280 HydrophobicContact CG1-CG 4.34Å; V276-L280 WeakPolarHBondContact O-CG 3.18Å; V276-L280 PolarHBondContact O-N 2.83Å
277	L	92.4	Very high	89.4	Confident	5 Å²	5	48 Å²	48	3%	0.026	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-38.8	178.1	-70.5	171.4	0	0	0	111.5	F233 P235 L273 K274 E275 L280 Q281 Y297	F233-L277 HydrophobicContact CE2-CD2 3.8Å; F233-L277 HydrophobicContact CZ-CD2 3.93Å; P235-L277 HydrophobicContact CB-CD1 4.1Å; P235-L277 HydrophobicContact CG-CD1 4.11Å; L273-L277 HydrophobicContact CD1-CD1 4.05Å; L273-L277 HydrophobicContact CD1-CG 4.08Å; L273-L277 HydrophobicContact CG-CD1 3.94Å; L273-L277 HydrophobicContact CG-CG 4.4Å; L273-L277 WeakPolarHBondContact O-CB 3.38Å; L273-L277 WeakPolarHBondContact O-CG 3.48Å; L273-L277 PolarHBondContact O-N 2.78Å; K274-L277 PolarHBondContact O-N 3.25Å; E275-L277 PolarHBondContact O-N 3.16Å; L277-L280 PolarHBondContact O-N 3.15Å; L277-Q281 VanDerWaalsContact O-CG 3.31Å; L277-Q281 WeakPolarHBondContact O-CG 2.9Å; L277-Q281 PolarHBondContact O-N 3.22Å; L277-Y297 HydrophobicContact CB-CE1 4.29Å; L277-Y297 HydrophobicContact CD1-CE2 3.93Å; L277-Y297 HydrophobicContact CD2-CD1 4.5Å; L277-Y297 HydrophobicContact CD2-CE1 4.22Å; L277-Y297 HydrophobicContact CD2-CE2 4.31Å
278	Q	91.7	Very high	90	Very high	97 Å²	97	44.6 Å²	44.6	45%	0.453	22%	0.216	S	C	.	.	H	α-helix	trans	-61.2	-47.8	174.5	-173.6	60.8	51.5	0	0	111.2	K274 E275 V276 L280 Q281 D282	K274-Q278 PolarHBondContact O-N 3.48Å; E275-Q278 WeakPolarHBondContact O-CB 3.48Å; E275-Q278 PolarHBondContact O-N 3.29Å; V276-Q278 VanDerWaalsContact C-N 3.3Å; V276-Q278 PolarHBondContact O-N 3.16Å; Q278-L280 VanDerWaalsContact C-N 3.32Å; Q278-L280 PolarHBondContact O-N 3.47Å; Q278-Q281 WeakPolarHBondContact O-CB 3.25Å; Q278-Q281 PolarHBondContact O-N 3.01Å; Q278-Q281 VanDerWaalsContact O-N 3.1Å; Q278-D282 PolarHBondContact NE2-OD1 2.88Å; Q278-D282 PolarHBondContact NE2-OD2 3.09Å; Q278-D282 VanDerWaalsContact O-CG 3.23Å; Q278-D282 PolarHBondContact O-N 2.96Å
279	V	92.7	Very high	90.3	Very high	40 Å²	40	45.7 Å²	45.7	24%	0.242	22%	0.22	C	C	.	.	H	α-helix	trans	-59.4	-43.3	176.8	173.9	0	0	0	0	111.4	L214 T218 E275 V276 Q281 D282 Q283	L214-V279 HydrophobicContact CD2-CG2 4.12Å; T218-V279 HydrophobicContact CG2-CG1 3.98Å; E275-V279 WeakPolarHBondContact O-CG2 3.36Å; E275-V279 PolarHBondContact O-N 3.2Å; V276-V279 PolarHBondContact O-N 2.81Å; V279-Q281 VanDerWaalsContact C-N 3.28Å; V279-Q281 PolarHBondContact O-N 3.06Å; V279-D282 PolarHBondContact O-N 3.23Å; V279-Q283 HydrophobicContact CG1-CG 4.42Å; V279-Q283 WeakPolarHBondContact O-CB 3.44Å; V279-Q283 VanDerWaalsContact O-CG 3.3Å; V279-Q283 WeakPolarHBondContact O-CG 3.35Å; V279-Q283 PolarHBondContact O-N 3.08Å
280	L	92.9	Very high	90.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-65.2	-31.9	177.9	-68.9	172.8	0	0	0	112.4	T218 I221 K222 V276 L277 Q278 G284 T285 V286	T218-L280 HydrophobicContact CG2-CD2 3.75Å; T218-L280 HydrophobicContact CG2-CG 4.16Å; I221-L280 HydrophobicContact CB-CD1 4.28Å; I221-L280 HydrophobicContact CG2-CD1 3.77Å; K222-L280 HydrophobicContact CB-CD2 4.36Å; V276-L280 HydrophobicContact CG1-CD1 3.98Å; V276-L280 HydrophobicContact CG1-CG 4.34Å; V276-L280 WeakPolarHBondContact O-CG 3.18Å; V276-L280 PolarHBondContact O-N 2.83Å; L277-L280 PolarHBondContact O-N 3.15Å; Q278-L280 VanDerWaalsContact C-N 3.32Å; Q278-L280 PolarHBondContact O-N 3.47Å; L280-G284 PolarHBondContact O-N 2.99Å; L280-T285 HydrophobicContact CD2-CG2 4.2Å; L280-T285 PolarHBondContact O-N 3.11Å; L280-V286 HydrophobicContact CB-CG1 4.46Å; L280-V286 HydrophobicContact CB-CG2 3.64Å; L280-V286 PolarHBondContact O-N 2.62Å
281	Q	92.4	Very high	90.2	Very high	46 Å²	46	53.2 Å²	53.2	22%	0.215	26%	0.255	C	S	.	.	H	α-helix	trans	-72.6	-42.5	174	-73.2	-177.1	-89.4	0	0	112.5	L277 Q278 V279 Q283 G284 V286 Y297	L277-Q281 VanDerWaalsContact O-CG 3.31Å; L277-Q281 WeakPolarHBondContact O-CG 2.9Å; L277-Q281 PolarHBondContact O-N 3.22Å; Q278-Q281 WeakPolarHBondContact O-CB 3.25Å; Q278-Q281 PolarHBondContact O-N 3.01Å; Q278-Q281 VanDerWaalsContact O-N 3.1Å; V279-Q281 VanDerWaalsContact C-N 3.28Å; V279-Q281 PolarHBondContact O-N 3.06Å; Q281-Q283 VanDerWaalsContact C-N 3.3Å; Q281-Q283 PolarHBondContact O-N 2.83Å; Q281-G284 WeakPolarHBondContact O-CA 3.49Å; Q281-G284 PolarHBondContact O-N 2.93Å; Q281-V286 WeakPolarHBondContact CA-O 3.19Å; Q281-V286 HydrophobicContact CG-CG2 3.84Å; Q281-Y297 HydrophobicContact CG-CD1 4.44Å; Q281-Y297 HydrophobicContact CG-CE1 3.84Å; Q281-Y297 PolarHBondContact OE1-OH 3.01Å
282	D	90.6	Very high	89.8	Confident	106 Å²	106	51.4 Å²	51.4	57%	0.567	25%	0.254	S	S	*	.	H	α-helix	trans	-64.7	-37.9	178.3	-64.8	-22	0	0	0	110.8	Q278 V279 G284 A348	Q278-D282 PolarHBondContact NE2-OD1 2.88Å; Q278-D282 PolarHBondContact NE2-OD2 3.09Å; Q278-D282 VanDerWaalsContact O-CG 3.23Å; Q278-D282 PolarHBondContact O-N 2.96Å; V279-D282 PolarHBondContact O-N 3.23Å; D282-G284 PolarHBondContact O-N 3.42Å; D282-A348 WeakPolarHBondContact O-CB 3.46Å
283	Q	92.1	Very high	89	Confident	86 Å²	86	60 Å²	60	40%	0.402	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-7.8	171.3	-69.3	-179	8.9	0	0	113.8	V279 Q281 T285	V279-Q283 HydrophobicContact CG1-CG 4.42Å; V279-Q283 WeakPolarHBondContact O-CB 3.44Å; V279-Q283 VanDerWaalsContact O-CG 3.3Å; V279-Q283 WeakPolarHBondContact O-CG 3.35Å; V279-Q283 PolarHBondContact O-N 3.08Å; Q281-Q283 VanDerWaalsContact C-N 3.3Å; Q281-Q283 PolarHBondContact O-N 2.83Å; Q283-T285 PolarHBondContact O-N 3.14Å
284	G	91.7	Very high	88.4	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.9	6.8	-177.1	0	0	0	0	0	115.2	L280 Q281 D282 V286 T300 L352	L280-G284 PolarHBondContact O-N 2.99Å; Q281-G284 WeakPolarHBondContact O-CA 3.49Å; Q281-G284 PolarHBondContact O-N 2.93Å; D282-G284 PolarHBondContact O-N 3.42Å; G284-V286 VanDerWaalsContact C-N 3.27Å; G284-V286 PolarHBondContact O-N 3.22Å; G284-T300 WeakPolarHBondContact O-CB 3.47Å; G284-T300 PolarHBondContact O-OG1 3.48Å; G284-L352 WeakPolarHBondContact O-CD1 3.41Å
285	T	93.3	Very high	88.1	Confident	20 Å²	20	60.3 Å²	60.3	12%	0.123	30%	0.299	C	S	.	.	S	Bend	trans	-66.1	-34.5	-179.9	-60.8	0	0	0	0	111.3	L280 Q283 T300	L280-T285 HydrophobicContact CD2-CG2 4.2Å; L280-T285 PolarHBondContact O-N 3.11Å; Q283-T285 PolarHBondContact O-N 3.14Å; T285-T300 PolarHBondContact O-N 2.68Å; T285-T300 VanDerWaalsContact O-N 3.11Å; T285-T300 PolarHBondContact O-OG1 2.84Å
286	V	94.5	Very high	88.2	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.2	174.5	-54.2	0	0	0	0	110	L225 F233 L280 Q281 G284 Y297 H298 V299	L225-V286 HydrophobicContact CD1-CG1 3.93Å; F233-V286 HydrophobicContact CE1-CG1 3.89Å; F233-V286 HydrophobicContact CZ-CG1 4.16Å; L280-V286 HydrophobicContact CB-CG1 4.46Å; L280-V286 HydrophobicContact CB-CG2 3.64Å; L280-V286 PolarHBondContact O-N 2.62Å; Q281-V286 WeakPolarHBondContact CA-O 3.19Å; Q281-V286 HydrophobicContact CG-CG2 3.84Å; G284-V286 VanDerWaalsContact C-N 3.27Å; G284-V286 PolarHBondContact O-N 3.22Å; V286-Y297 HydrophobicContact CB-CD1 4.24Å; V286-Y297 HydrophobicContact CG2-CD1 3.73Å; V286-Y297 HydrophobicContact CG2-CE1 4.18Å; V286-H298 CarbonylContact C-O 3.57Å; V286-H298 VanDerWaalsContact CA-O 3.22Å; V286-H298 WeakPolarHBondContact CA-O 3.29Å; V286-V299 HydrophobicContact CG1-CG2 4.33Å
287	Y	92.5	Very high	88.2	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	163.3	172.2	74.1	-76.4	0	0	0	110.2	K289 H298 D303 L306 Y341 V345	Y287-K289 HydrophobicContact CE2-CB 4.23Å; Y287-H298 HydrophobicContact CD1-CB 4.22Å; Y287-H298 HydrophobicContact CE1-CB 3.66Å; Y287-H298 HydrophobicContact CE2-CB 4.45Å; Y287-H298 PolarHBondContact N-O 3.27Å; Y287-H298 PolarHBondContact O-N 3.1Å; Y287-D303 PolarHBondContact OH-OD2 2.84Å; Y287-L306 HydrophobicContact CE1-CD2 3.95Å; Y287-Y341 HydrophobicContact CE2-CE1 4.44Å; Y287-Y341 VanDerWaalsContact OH-CE1 3.27Å; Y287-Y341 WeakPolarHBondContact OH-CE1 3.45Å; Y287-V345 HydrophobicContact CD2-CG2 4.2Å; Y287-V345 HydrophobicContact CE2-CG2 4.08Å
288	R	90.9	Very high	88.2	Confident	43 Å²	43	59.9 Å²	59.9	16%	0.162	30%	0.299	C	S	.	.			trans	-102.9	114.4	177	-66.6	-177.1	-176.9	-168.2	-2.8	108.8	V290 E295 Y297 N344	R288-V290 VanDerWaalsContact C-N 3.34Å; R288-V290 PolarHBondContact O-N 3.23Å; R288-E295 IonicContact CZ-OE1 2.7Å; R288-E295 VanDerWaalsContact CZ-OE1 3.28Å; R288-E295 IonicContact CZ-OE2 3.1Å; R288-E295 VanDerWaalsContact NH1-CD 3.33Å; R288-E295 IonicContact NH1-OE1 3.82Å; R288-E295 PolarHBondContact NH1-OE1 2.91Å; R288-E295 IonicContact NH2-OE1 2.9Å; R288-E295 PolarHBondContact NH2-OE1 2.94Å; R288-E295 IonicContact NH2-OE2 3Å; R288-E295 PolarHBondContact NH2-OE2 3.22Å; R288-Y297 HydrophobicContact CG-CD1 3.93Å; R288-Y297 HydrophobicContact CG-CE1 3.91Å; R288-Y297 HydrophobicContact CG-CE2 4.46Å; R288-Y297 HydrophobicContact CG-CG 4.29Å; R288-Y297 VanDerWaalsContact CZ-OH 3.28Å; R288-Y297 PolarHBondContact NE-OH 2.99Å; R288-Y297 VanDerWaalsContact NE-OH 3.14Å; R288-Y297 PolarHBondContact NH2-OH 3.29Å; R288-N344 WeakPolarHBondContact O-CB 3.41Å; R288-N344 PolarHBondContact O-ND2 2.76Å
289	K	84.9	Confident	88.4	Confident	63 Å²	63	55.8 Å²	55.8	27%	0.274	28%	0.28	S	S	.	.	S	Bend	trans	-60.9	-43.7	180	-170.8	168.9	-176.7	164.9	0	111.9	Y287 Y341 S342 N344	Y287-K289 HydrophobicContact CE2-CB 4.23Å; K289-Y341 HydrophobicContact CD-CE1 4.41Å; K289-Y341 VanDerWaalsContact NZ-CZ 3.31Å; K289-Y341 PolarHBondContact NZ-OH 3.13Å; K289-S342 PolarHBondContact O-OG 2.99Å; K289-N344 PolarHBondContact O-ND2 2.99Å; K289-N344 VanDerWaalsContact O-ND2 3.09Å
290	V	85.5	Confident	88.4	Confident	94 Å²	94	53.9 Å²	53.9	57%	0.57	27%	0.269	S	S	*	.	S	Bend	trans	-127.8	136.3	175.7	-176.8	0	0	0	0	109	R288 S292	R288-V290 VanDerWaalsContact C-N 3.34Å; R288-V290 PolarHBondContact O-N 3.23Å; V290-S292 VanDerWaalsContact C-N 3.33Å; V290-S292 PolarHBondContact O-N 3.31Å; V290-S292 VanDerWaalsContact O-N 3.13Å
291	K	80.1	Confident	88.3	Confident	165 Å²	165	57.6 Å²	57.6	72%	0.717	29%	0.288	S	S	*	.			trans	-83	81.2	170.6	-68.7	-177.5	178.3	178	0	108.7	N344	K291-N344 VanDerWaalsContact CE-OD1 3.3Å; K291-N344 WeakPolarHBondContact CE-OD1 3.13Å
292	S	77.8	Confident	88.2	Confident	58 Å²	58	58.2 Å²	58.2	41%	0.406	29%	0.291	S	S	.	.			trans	-110.1	170.1	174	65.2	0	0	0	0	111	V290 D294 E295	V290-S292 VanDerWaalsContact C-N 3.33Å; V290-S292 PolarHBondContact O-N 3.31Å; V290-S292 VanDerWaalsContact O-N 3.13Å; S292-D294 PolarHBondContact O-N 3.19Å; S292-E295 PolarHBondContact O-N 3.45Å
293	Q	70.9	Confident	88.3	Confident	202 Å²	202	53.9 Å²	53.9	94%	0.944	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.9	176	-68.7	-178.8	-13.9	0	0	113.2	E295	Q293-E295 VanDerWaalsContact C-N 3.25Å; Q293-E295 PolarHBondContact O-N 2.98Å
294	D	76.4	Confident	88.3	Confident	79 Å²	79	57.2 Å²	57.2	42%	0.422	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	7.1	-177.7	-168	42.4	0	0	0	113.8	R234 S292 V296	R234-D294 IonicContact CZ-OD1 2.87Å; R234-D294 IonicContact CZ-OD2 3.33Å; R234-D294 IonicContact NE-OD1 3.92Å; R234-D294 PolarHBondContact NE-OD1 2.78Å; R234-D294 IonicContact NE-OD2 3.79Å; R234-D294 PolarHBondContact NE-OD2 3.22Å; R234-D294 IonicContact NH2-OD1 2.76Å; R234-D294 PolarHBondContact NH2-OD1 2.9Å; R234-D294 IonicContact NH2-OD2 2.66Å; R234-D294 PolarHBondContact NH2-OD2 3.07Å; S292-D294 PolarHBondContact O-N 3.19Å; D294-V296 WeakPolarHBondContact O-CG2 3.48Å; D294-V296 PolarHBondContact O-N 2.72Å
295	E	84.6	Confident	88.4	Confident	78 Å²	78	61.8 Å²	61.8	36%	0.364	31%	0.305	S	S	.	.			trans	29.1	59.1	175	-58	-151.9	137.2	0	0	116.5	P235 R288 S292 Q293 Y297	P235-E295 VanDerWaalsContact CD-O 3.26Å; P235-E295 WeakPolarHBondContact CD-O 3.19Å; P235-E295 HydrophobicContact CG-CB 4.27Å; R288-E295 IonicContact CZ-OE1 2.7Å; R288-E295 VanDerWaalsContact CZ-OE1 3.28Å; R288-E295 IonicContact CZ-OE2 3.1Å; R288-E295 VanDerWaalsContact NH1-CD 3.33Å; R288-E295 IonicContact NH1-OE1 3.82Å; R288-E295 PolarHBondContact NH1-OE1 2.91Å; R288-E295 IonicContact NH2-OE1 2.9Å; R288-E295 PolarHBondContact NH2-OE1 2.94Å; R288-E295 IonicContact NH2-OE2 3Å; R288-E295 PolarHBondContact NH2-OE2 3.22Å; S292-E295 PolarHBondContact O-N 3.45Å; Q293-E295 VanDerWaalsContact C-N 3.25Å; Q293-E295 PolarHBondContact O-N 2.98Å; E295-Y297 WeakPolarHBondContact O-CD2 3.44Å
296	V	91.6	Very high	88.4	Confident	34 Å²	34	60.9 Å²	60.9	21%	0.206	30%	0.3	C	S	.	.			trans	-88.1	122.8	179.4	-174.6	0	0	0	0	111.5	K232 R234 D294	K232-V296 HydrophobicContact CB-CG1 4.39Å; R234-V296 HydrophobicContact CG-CG2 4.13Å; D294-V296 WeakPolarHBondContact O-CG2 3.48Å; D294-V296 PolarHBondContact O-N 2.72Å
297	Y	92.8	Very high	88.3	Confident	6 Å²	6	62.2 Å²	62.2	2%	0.024	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	137.1	176.5	-74.2	-96.7	0	0	0	111.3	K232 F233 P235 L277 Q281 V286 R288 E295	K232-Y297 CarbonylContact C-O 3.55Å; K232-Y297 WeakPolarHBondContact CA-O 3.46Å; F233-Y297 HydrophobicContact CE2-CG 4.39Å; F233-Y297 HydrophobicContact CZ-CG 4.13Å; F233-Y297 PolarHBondContact N-O 3.39Å; F233-Y297 PolarHBondContact O-N 3.27Å; P235-Y297 HydrophobicContact CG-CD2 4.32Å; P235-Y297 HydrophobicContact CG-CE2 3.95Å; L277-Y297 HydrophobicContact CB-CE1 4.29Å; L277-Y297 HydrophobicContact CD1-CE2 3.93Å; L277-Y297 HydrophobicContact CD2-CD1 4.5Å; L277-Y297 HydrophobicContact CD2-CE1 4.22Å; L277-Y297 HydrophobicContact CD2-CE2 4.31Å; Q281-Y297 HydrophobicContact CG-CD1 4.44Å; Q281-Y297 HydrophobicContact CG-CE1 3.84Å; Q281-Y297 PolarHBondContact OE1-OH 3.01Å; V286-Y297 HydrophobicContact CB-CD1 4.24Å; V286-Y297 HydrophobicContact CG2-CD1 3.73Å; V286-Y297 HydrophobicContact CG2-CE1 4.18Å; R288-Y297 HydrophobicContact CG-CD1 3.93Å; R288-Y297 HydrophobicContact CG-CE1 3.91Å; R288-Y297 HydrophobicContact CG-CE2 4.46Å; R288-Y297 HydrophobicContact CG-CG 4.29Å; R288-Y297 VanDerWaalsContact CZ-OH 3.28Å; R288-Y297 PolarHBondContact NE-OH 2.99Å; R288-Y297 VanDerWaalsContact NE-OH 3.14Å; R288-Y297 PolarHBondContact NH2-OH 3.29Å; E295-Y297 WeakPolarHBondContact O-CD2 3.44Å
298	H	93.4	Very high	88.4	Confident	36 Å²	36	66.2 Å²	66.2	17%	0.167	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.2	176.4	-65	47	0	0	0	108.4	V286 Y287 D303	V286-H298 CarbonylContact C-O 3.57Å; V286-H298 VanDerWaalsContact CA-O 3.22Å; V286-H298 WeakPolarHBondContact CA-O 3.29Å; Y287-H298 HydrophobicContact CD1-CB 4.22Å; Y287-H298 HydrophobicContact CE1-CB 3.66Å; Y287-H298 HydrophobicContact CE2-CB 4.45Å; Y287-H298 PolarHBondContact N-O 3.27Å; Y287-H298 PolarHBondContact O-N 3.1Å; H298-D303 IonicContact CD2-OD2 3.65Å
299	V	94.5	Very high	88.5	Confident	11 Å²	11	65.3 Å²	65.3	7%	0.067	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	116.4	176.9	-179.7	0	0	0	0	108.4	L225 V230 A231 F233 V286 I301 Q302 D303	L225-V299 HydrophobicContact CB-CG2 4.44Å; L225-V299 HydrophobicContact CD1-CG2 4.06Å; L225-V299 HydrophobicContact CD2-CG2 3.98Å; L225-V299 HydrophobicContact CG-CG2 4.38Å; V230-V299 VanDerWaalsContact O-CB 3.27Å; V230-V299 WeakPolarHBondContact O-CB 3.29Å; V230-V299 WeakPolarHBondContact O-CG2 3.45Å; A231-V299 PolarHBondContact O-N 3.28Å; F233-V299 HydrophobicContact CD1-CG2 4.16Å; F233-V299 HydrophobicContact CE1-CG2 4.07Å; V286-V299 HydrophobicContact CG1-CG2 4.33Å; V299-I301 VanDerWaalsContact C-N 3.35Å; V299-I301 PolarHBondContact O-N 3.49Å; V299-Q302 HydrophobicContact CB-CB 4.23Å; V299-Q302 HydrophobicContact CB-CG 4.34Å; V299-Q302 HydrophobicContact CG1-CB 4.33Å; V299-Q302 HydrophobicContact CG1-CG 3.99Å; V299-Q302 PolarHBondContact O-N 3.44Å; V299-D303 PolarHBondContact O-N 2.8Å
300	T	93	Very high	89	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-53.9	-46.7	-167.1	-57	0	0	0	0	113.3	G284 T285 Q302 D303 L306 A349 V353	G284-T300 WeakPolarHBondContact O-CB 3.47Å; G284-T300 PolarHBondContact O-OG1 3.48Å; T285-T300 PolarHBondContact O-N 2.68Å; T285-T300 VanDerWaalsContact O-N 3.11Å; T285-T300 PolarHBondContact O-OG1 2.84Å; T300-Q302 VanDerWaalsContact C-N 3.33Å; T300-Q302 PolarHBondContact O-N 2.84Å; T300-D303 PolarHBondContact O-N 2.89Å; T300-L306 HydrophobicContact CG2-CD2 4.15Å; T300-A349 HydrophobicContact CG2-CB 3.95Å; T300-A349 WeakPolarHBondContact CG2-O 3.34Å; T300-V353 HydrophobicContact CG2-CG2 3.55Å
301	I	90.2	Very high	89.4	Confident	78 Å²	78	60.2 Å²	60.2	40%	0.4	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-74.4	-23.7	-176.3	-61.2	170.5	0	0	0	112.2	V299	V299-I301 VanDerWaalsContact C-N 3.35Å; V299-I301 PolarHBondContact O-N 3.49Å
302	Q	91	Very high	90.1	Very high	60 Å²	60	55.2 Å²	55.2	28%	0.28	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-90.1	-7.9	179.8	-62.6	-62.1	-20.3	0	0	112.6	A231 V299 T300 K304	A231-Q302 HydrophobicContact CB-CB 4.31Å; V299-Q302 HydrophobicContact CB-CB 4.23Å; V299-Q302 HydrophobicContact CB-CG 4.34Å; V299-Q302 HydrophobicContact CG1-CB 4.33Å; V299-Q302 HydrophobicContact CG1-CG 3.99Å; V299-Q302 PolarHBondContact O-N 3.44Å; T300-Q302 VanDerWaalsContact C-N 3.33Å; T300-Q302 PolarHBondContact O-N 2.84Å; Q302-K304 PolarHBondContact O-N 2.89Å
303	D	92.8	Very high	90.8	Very high	14 Å²	14	52.5 Å²	52.5	8%	0.075	26%	0.259	C	S	.	.			trans	-82.7	93	178.3	-168.8	-21.2	0	0	0	111.1	Y287 H298 V299 T300 D305 L306 L307 Y341	Y287-D303 PolarHBondContact OH-OD2 2.84Å; H298-D303 IonicContact CD2-OD2 3.65Å; V299-D303 PolarHBondContact O-N 2.8Å; T300-D303 PolarHBondContact O-N 2.89Å; D303-D305 VanDerWaalsContact C-N 3.28Å; D303-D305 PolarHBondContact O-N 2.94Å; D303-D305 PolarHBondContact OD1-N 2.98Å; D303-D305 VanDerWaalsContact OD1-N 3.08Å; D303-L306 HydrophobicContact CB-CB 3.94Å; D303-L306 PolarHBondContact O-N 3.01Å; D303-L306 PolarHBondContact OD1-N 3.23Å; D303-L307 PolarHBondContact O-N 2.71Å; D303-L307 VanDerWaalsContact O-N 3.14Å; D303-Y341 VanDerWaalsContact CG-OH 3.28Å; D303-Y341 PolarHBondContact OD1-OH 3.21Å; D303-Y341 PolarHBondContact OD2-OH 3.49Å
304	K	91.7	Very high	91.9	Very high	156 Å²	156	42.9 Å²	42.9	68%	0.678	21%	0.214	S	C	*	.	H	α-helix	trans	-62.7	-34.3	178.7	-63.7	-173.3	177.9	-175.4	0	112.7	Q302 L306 L307 I308	Q302-K304 PolarHBondContact O-N 2.89Å; K304-L306 VanDerWaalsContact C-N 3.33Å; K304-L307 PolarHBondContact O-N 3.32Å; K304-I308 WeakPolarHBondContact O-CB 3.39Å; K304-I308 WeakPolarHBondContact O-CD1 3.4Å; K304-I308 WeakPolarHBondContact O-CG1 3.49Å; K304-I308 PolarHBondContact O-N 2.72Å
305	D	93.1	Very high	92.6	Very high	96 Å²	96	44.5 Å²	44.5	51%	0.513	21%	0.214	S	C	.	.	H	α-helix	trans	-69.6	-37.4	-178.5	-61.7	-23.1	0	0	0	110.5	D303 T309 Y341	D303-D305 VanDerWaalsContact C-N 3.28Å; D303-D305 PolarHBondContact O-N 2.94Å; D303-D305 PolarHBondContact OD1-N 2.98Å; D303-D305 VanDerWaalsContact OD1-N 3.08Å; D305-T309 WeakPolarHBondContact O-CB 3.37Å; D305-T309 PolarHBondContact O-N 2.81Å; D305-T309 PolarHBondContact O-OG1 3.17Å; D305-Y341 HydrophobicContact CB-CE2 3.72Å
306	L	93.6	Very high	93	Very high	1 Å²	1	45 Å²	45	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-64.1	-47.5	173.1	178.8	62.2	0	0	0	111.4	Y287 T300 D303 K304 I308 T309 V310 V337 Y341 V345 V353	Y287-L306 HydrophobicContact CE1-CD2 3.95Å; T300-L306 HydrophobicContact CG2-CD2 4.15Å; D303-L306 HydrophobicContact CB-CB 3.94Å; D303-L306 PolarHBondContact O-N 3.01Å; D303-L306 PolarHBondContact OD1-N 3.23Å; K304-L306 VanDerWaalsContact C-N 3.33Å; L306-I308 PolarHBondContact O-N 2.85Å; L306-T309 PolarHBondContact O-N 2.83Å; L306-V310 HydrophobicContact CD1-CG2 4.21Å; L306-V310 WeakPolarHBondContact O-CG2 3.48Å; L306-V310 PolarHBondContact O-N 3.4Å; L306-V337 HydrophobicContact CD1-CG1 3.91Å; L306-Y341 HydrophobicContact CB-CD1 4.42Å; L306-Y341 HydrophobicContact CB-CE1 3.92Å; L306-Y341 HydrophobicContact CD1-CD1 3.64Å; L306-Y341 HydrophobicContact CD1-CE1 3.93Å; L306-Y341 HydrophobicContact CD1-CG 4.24Å; L306-Y341 HydrophobicContact CG-CE1 4.42Å; L306-V345 HydrophobicContact CD1-CG2 4.2Å; L306-V353 HydrophobicContact CD2-CG2 3.84Å; L306-V353 HydrophobicContact CG-CG2 4.16Å
307	L	93.3	Very high	92.9	Very high	28 Å²	28	43.7 Å²	43.7	15%	0.147	21%	0.208	C	C	.	.	H	α-helix	trans	-56.8	-49.4	177	-79.8	158	0	0	0	111.6	D303 K304 T309 V310 K311 V353 T356 L357	D303-L307 PolarHBondContact O-N 2.71Å; D303-L307 VanDerWaalsContact O-N 3.14Å; K304-L307 PolarHBondContact O-N 3.32Å; L307-T309 VanDerWaalsContact C-N 3.35Å; L307-T309 PolarHBondContact O-N 2.95Å; L307-V310 PolarHBondContact O-N 3.13Å; L307-K311 WeakPolarHBondContact O-CB 3.41Å; L307-K311 PolarHBondContact O-N 2.89Å; L307-V353 HydrophobicContact CD2-CG1 3.75Å; L307-V353 HydrophobicContact CG-CG1 4.38Å; L307-T356 HydrophobicContact CD2-CG2 4.24Å; L307-L357 HydrophobicContact CD2-CD2 3.88Å; L307-L357 HydrophobicContact CD2-CG 4Å
308	I	93.6	Very high	92.6	Very high	89 Å²	89	44.3 Å²	44.3	46%	0.456	21%	0.214	S	C	.	.	H	α-helix	trans	-60.3	-45.9	177.9	-67.8	163.6	0	0	0	110.3	K304 L306 V310 K311 D312	K304-I308 WeakPolarHBondContact O-CB 3.39Å; K304-I308 WeakPolarHBondContact O-CD1 3.4Å; K304-I308 WeakPolarHBondContact O-CG1 3.49Å; K304-I308 PolarHBondContact O-N 2.72Å; L306-I308 PolarHBondContact O-N 2.85Å; I308-V310 PolarHBondContact O-N 2.75Å; I308-K311 PolarHBondContact O-N 2.57Å; I308-D312 WeakPolarHBondContact O-CB 3.24Å; I308-D312 PolarHBondContact O-N 3.03Å
309	T	94.6	Very high	92.2	Very high	24 Å²	24	50.7 Å²	50.7	15%	0.147	24%	0.241	C	C	.	.	H	α-helix	trans	-63.5	-42.2	-178.8	-55.7	0	0	0	0	112.2	D305 L306 L307 D312 I313 R340	D305-T309 WeakPolarHBondContact O-CB 3.37Å; D305-T309 PolarHBondContact O-N 2.81Å; D305-T309 PolarHBondContact O-OG1 3.17Å; L306-T309 PolarHBondContact O-N 2.83Å; L307-T309 VanDerWaalsContact C-N 3.35Å; L307-T309 PolarHBondContact O-N 2.95Å; T309-D312 PolarHBondContact O-N 2.81Å; T309-I313 HydrophobicContact CG2-CD1 3.92Å; T309-I313 WeakPolarHBondContact O-CD1 3.4Å; T309-I313 VanDerWaalsContact O-CG1 3.23Å; T309-I313 WeakPolarHBondContact O-CG1 3.36Å; T309-I313 PolarHBondContact O-N 3.47Å; T309-R340 HydrophobicContact CG2-CB 4.14Å
310	V	94.7	Very high	91.9	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64	-44.9	177	173.6	0	0	0	0	110.6	L306 L307 I308 D312 I313 I314 I333 V337 L350 V353 L354 L357	L306-V310 HydrophobicContact CD1-CG2 4.21Å; L306-V310 WeakPolarHBondContact O-CG2 3.48Å; L306-V310 PolarHBondContact O-N 3.4Å; L307-V310 PolarHBondContact O-N 3.13Å; I308-V310 PolarHBondContact O-N 2.75Å; V310-D312 PolarHBondContact O-N 2.59Å; V310-I313 PolarHBondContact O-N 3.04Å; V310-I314 HydrophobicContact CG1-CD1 3.86Å; V310-I314 WeakPolarHBondContact O-CG1 3.49Å; V310-I314 PolarHBondContact O-N 2.91Å; V310-I314 VanDerWaalsContact O-N 3.07Å; V310-I333 HydrophobicContact CG1-CG2 4.29Å; V310-V337 HydrophobicContact CG2-CG2 3.64Å; V310-L350 HydrophobicContact CG1-CD1 4.09Å; V310-L350 HydrophobicContact CG2-CD1 3.86Å; V310-V353 HydrophobicContact CB-CG1 3.95Å; V310-V353 HydrophobicContact CG1-CG1 4.05Å; V310-V353 HydrophobicContact CG2-CG1 3.87Å; V310-L354 HydrophobicContact CG1-CD2 4.1Å; V310-L357 HydrophobicContact CB-CD1 4.2Å; V310-L357 HydrophobicContact CG1-CD1 3.78Å
311	K	93.8	Very high	91.3	Very high	50 Å²	50	65.5 Å²	65.5	22%	0.217	30%	0.304	C	S	.	.	H	α-helix	trans	-59	-45.7	176.7	-178.3	177.5	-175.4	163.1	0	112.1	L307 I308 I314 R315 L357 D362	L307-K311 WeakPolarHBondContact O-CB 3.41Å; L307-K311 PolarHBondContact O-N 2.89Å; I308-K311 PolarHBondContact O-N 2.57Å; K311-I314 PolarHBondContact O-N 3.19Å; K311-R315 VanDerWaalsContact O-CB 3.26Å; K311-R315 WeakPolarHBondContact O-CB 3.36Å; K311-R315 PolarHBondContact O-N 2.87Å; K311-L357 HydrophobicContact CB-CD1 4.37Å; K311-L357 HydrophobicContact CB-CD2 4.44Å; K311-D362 HydrophobicContact CD-CB 4.48Å; K311-D362 WeakPolarHBondContact CE-OD1 3.48Å; K311-D362 WeakPolarHBondContact CE-OD2 3.41Å; K311-D362 IonicContact NZ-OD1 2.82Å; K311-D362 PolarHBondContact NZ-OD1 3.2Å; K311-D362 IonicContact NZ-OD2 2.67Å; K311-D362 PolarHBondContact NZ-OD2 3.05Å
312	D	94.2	Very high	91	Very high	59 Å²	59	69.7 Å²	69.7	32%	0.316	32%	0.319	S	S	.	.	H	α-helix	trans	-65.3	-41.1	179.6	-73.6	-19	0	0	0	112	I308 T309 V310 R315 E316	I308-D312 WeakPolarHBondContact O-CB 3.24Å; I308-D312 PolarHBondContact O-N 3.03Å; T309-D312 PolarHBondContact O-N 2.81Å; V310-D312 PolarHBondContact O-N 2.59Å; D312-R315 PolarHBondContact O-N 2.87Å; D312-E316 WeakPolarHBondContact O-CB 3.49Å; D312-E316 VanDerWaalsContact O-CG 3.24Å; D312-E316 WeakPolarHBondContact O-CG 3.32Å; D312-E316 PolarHBondContact O-N 3.17Å
313	I	93.9	Very high	90.6	Very high	2 Å²	2	68.7 Å²	68.7	1%	0.01	31%	0.313	C	S	.	.	H	α-helix	trans	-58.6	-51.6	175	-72.5	163.9	0	0	0	110.6	T309 V310 R315 E316 D317 A336 V337	T309-I313 HydrophobicContact CG2-CD1 3.92Å; T309-I313 WeakPolarHBondContact O-CD1 3.4Å; T309-I313 VanDerWaalsContact O-CG1 3.23Å; T309-I313 WeakPolarHBondContact O-CG1 3.36Å; T309-I313 PolarHBondContact O-N 3.47Å; V310-I313 PolarHBondContact O-N 3.04Å; I313-R315 VanDerWaalsContact C-N 3.31Å; I313-R315 PolarHBondContact O-N 3.07Å; I313-E316 PolarHBondContact O-N 3.03Å; I313-D317 WeakPolarHBondContact O-CB 3.43Å; I313-D317 PolarHBondContact O-N 2.81Å; I313-A336 HydrophobicContact CD1-CB 3.94Å; I313-A336 HydrophobicContact CG1-CB 4.28Å; I313-A336 HydrophobicContact CG2-CB 3.68Å; I313-V337 HydrophobicContact CD1-CB 4.29Å; I313-V337 HydrophobicContact CD1-CG2 3.57Å
314	I	92.9	Very high	89.8	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.8	-41	-178.2	-62.7	168.1	0	0	0	110	V310 K311 D317 S318 I333 L354 I363 A373	V310-I314 HydrophobicContact CG1-CD1 3.86Å; V310-I314 WeakPolarHBondContact O-CG1 3.49Å; V310-I314 PolarHBondContact O-N 2.91Å; V310-I314 VanDerWaalsContact O-N 3.07Å; K311-I314 PolarHBondContact O-N 3.19Å; I314-D317 PolarHBondContact O-N 2.86Å; I314-S318 VanDerWaalsContact O-CB 3.22Å; I314-S318 WeakPolarHBondContact O-CB 3.39Å; I314-S318 PolarHBondContact O-N 3.18Å; I314-S318 PolarHBondContact O-OG 2.91Å; I314-I333 HydrophobicContact CD1-CD1 4.04Å; I314-I333 HydrophobicContact CG1-CD1 3.89Å; I314-I333 HydrophobicContact CG1-CG1 4.21Å; I314-I333 HydrophobicContact CG1-CG2 4.32Å; I314-L354 HydrophobicContact CD1-CD2 3.59Å; I314-I363 HydrophobicContact CD1-CD1 4.05Å; I314-I363 HydrophobicContact CD1-CG2 4.03Å; I314-I363 HydrophobicContact CG2-CG2 4.16Å; I314-A373 HydrophobicContact CG2-CB 4.03Å
315	R	91.8	Very high	89.1	Confident	113 Å²	113	71.6 Å²	71.6	43%	0.426	34%	0.337	S	S	.	.	H	α-helix	trans	-64.3	-41.5	177.5	-179.4	-180	-71.1	-159	-6.8	112.9	K311 D312 I313 A373	K311-R315 VanDerWaalsContact O-CB 3.26Å; K311-R315 WeakPolarHBondContact O-CB 3.36Å; K311-R315 PolarHBondContact O-N 2.87Å; D312-R315 PolarHBondContact O-N 2.87Å; I313-R315 VanDerWaalsContact C-N 3.31Å; I313-R315 PolarHBondContact O-N 3.07Å; R315-A373 HydrophobicContact CB-CB 4.24Å
316	E	91.8	Very high	88.6	Confident	87 Å²	87	74.1 Å²	74.1	41%	0.407	34%	0.344	S	S	.	.	H	α-helix	trans	-68.7	-44.7	177.2	-74.7	172	-155.1	0	0	111.3	D312 I313 K319 R340	D312-E316 WeakPolarHBondContact O-CB 3.49Å; D312-E316 VanDerWaalsContact O-CG 3.24Å; D312-E316 WeakPolarHBondContact O-CG 3.32Å; D312-E316 PolarHBondContact O-N 3.17Å; I313-E316 PolarHBondContact O-N 3.03Å; E316-K319 PolarHBondContact O-N 2.78Å; E316-R340 VanDerWaalsContact CD-NH1 3.26Å; E316-R340 IonicContact OE1-CZ 3.34Å; E316-R340 IonicContact OE1-NH1 3.28Å; E316-R340 PolarHBondContact OE1-NH1 2.94Å; E316-R340 IonicContact OE1-NH2 3.37Å; E316-R340 PolarHBondContact OE1-NH2 3.27Å; E316-R340 IonicContact OE2-CZ 3.65Å; E316-R340 IonicContact OE2-NH1 2.84Å; E316-R340 PolarHBondContact OE2-NH1 2.85Å; E316-R340 IonicContact OE2-NH2 3.68Å
317	D	89.5	Confident	88.3	Confident	8 Å²	8	74.2 Å²	74.2	4%	0.043	35%	0.345	C	S	.	.	H	α-helix	trans	-73.2	-32.5	-177.7	-74.4	-36.1	0	0	0	112.5	I313 I314 K319 R320 Y323 C328 H332	I313-D317 WeakPolarHBondContact O-CB 3.43Å; I313-D317 PolarHBondContact O-N 2.81Å; I314-D317 PolarHBondContact O-N 2.86Å; D317-K319 PolarHBondContact O-N 3.05Å; D317-R320 WeakPolarHBondContact O-CB 3.09Å; D317-R320 PolarHBondContact O-N 2.89Å; D317-R320 IonicContact OD1-CZ 2.64Å; D317-R320 IonicContact OD1-NE 3.86Å; D317-R320 PolarHBondContact OD1-NE 3.37Å; D317-R320 IonicContact OD1-NH1 2.73Å; D317-R320 PolarHBondContact OD1-NH1 2.84Å; D317-R320 IonicContact OD1-NH2 3.98Å; D317-Y323 HydrophobicContact CB-CD2 4.14Å; D317-Y323 WeakPolarHBondContact O-CD2 3.44Å; D317-C328 WeakPolarHBondContact CB-SG 3.39Å; D317-H332 IonicContact OD1-NE2 3.4Å; D317-H332 IonicContact OD2-CD2 3.28Å; D317-H332 IonicContact OD2-NE2 2.76Å; D317-H332 PolarHBondContact OD2-NE2 3.01Å
318	S	86.6	Confident	88.2	Confident	19 Å²	19	72.9 Å²	72.9	13%	0.133	34%	0.338	C	S	.	.	H	α-helix	trans	-62.7	-21.5	175.7	-58.7	0	0	0	0	113	I314 R320 I372 A373	I314-S318 VanDerWaalsContact O-CB 3.22Å; I314-S318 WeakPolarHBondContact O-CB 3.39Å; I314-S318 PolarHBondContact O-N 3.18Å; I314-S318 PolarHBondContact O-OG 2.91Å; S318-R320 VanDerWaalsContact C-N 3.3Å; S318-I372 WeakPolarHBondContact OG-CG1 3.47Å; S318-A373 PolarHBondContact OG-N 3.06Å
319	K	85.9	Confident	88.2	Confident	170 Å²	170	71.9 Å²	71.9	74%	0.739	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-11.7	174.9	-67	175.2	-177.7	179.9	0	113.5	E316 D317	E316-K319 PolarHBondContact O-N 2.78Å; D317-K319 PolarHBondContact O-N 3.05Å
320	R	87.9	Confident	88.2	Confident	130 Å²	130	70.9 Å²	70.9	49%	0.491	33%	0.325	S	S	.	.	S	Bend	trans	-81.8	133.7	179.6	-60	177.2	171.7	173.3	-6.1	108.9	D317 S318 K322 Y323 A324	D317-R320 WeakPolarHBondContact O-CB 3.09Å; D317-R320 PolarHBondContact O-N 2.89Å; D317-R320 IonicContact OD1-CZ 2.64Å; D317-R320 IonicContact OD1-NE 3.86Å; D317-R320 PolarHBondContact OD1-NE 3.37Å; D317-R320 IonicContact OD1-NH1 2.73Å; D317-R320 PolarHBondContact OD1-NH1 2.84Å; D317-R320 IonicContact OD1-NH2 3.98Å; S318-R320 VanDerWaalsContact C-N 3.3Å; R320-K322 PolarHBondContact O-N 2.91Å; R320-Y323 HydrophobicContact CB-CD2 4.06Å; R320-Y323 PolarHBondContact O-N 2.88Å; R320-A324 PolarHBondContact O-N 2.84Å; R320-A324 VanDerWaalsContact O-N 3.16Å
321	E	80.9	Confident	88.1	Confident	191 Å²	191	75.7 Å²	75.7	89%	0.893	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-50.4	-36.1	-179.3	-70.1	-177.3	166.9	0	0	113	Y323	E321-Y323 VanDerWaalsContact C-N 3.25Å; E321-Y323 PolarHBondContact O-N 3.02Å
322	K	82.6	Confident	88.1	Confident	167 Å²	167	76.1 Å²	76.1	73%	0.726	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-60.6	-28.9	178.6	-171.4	-179.9	175.6	-167.5	0	114.2	R320	R320-K322 PolarHBondContact O-N 2.91Å
323	Y	83.9	Confident	88.1	Confident	39 Å²	39	73.3 Å²	73.3	15%	0.153	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-116.9	0.3	-173.4	-51.9	-57	0	0	0	113.2	D317 R320 E321 E325 G327 H332	D317-Y323 HydrophobicContact CB-CD2 4.14Å; D317-Y323 WeakPolarHBondContact O-CD2 3.44Å; R320-Y323 HydrophobicContact CB-CD2 4.06Å; R320-Y323 PolarHBondContact O-N 2.88Å; E321-Y323 VanDerWaalsContact C-N 3.25Å; E321-Y323 PolarHBondContact O-N 3.02Å; Y323-E325 VanDerWaalsContact C-N 3.34Å; Y323-E325 PolarHBondContact O-N 2.67Å; Y323-G327 VanDerWaalsContact O-CA 3.25Å; Y323-G327 WeakPolarHBondContact O-CA 3.46Å; Y323-G327 PolarHBondContact O-N 2.89Å; Y323-H332 AromaticContact CE2-NE2 3.89Å; Y323-H332 AromaticContact CZ-NE2 3.95Å
324	A	76.1	Confident	88.2	Confident	52 Å²	52	73.8 Å²	73.8	43%	0.43	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-35.1	-174.5	0	0	0	0	0	113.5	R320 I372	R320-A324 PolarHBondContact O-N 2.84Å; R320-A324 VanDerWaalsContact O-N 3.16Å; A324-I372 WeakPolarHBondContact O-CD1 3.49Å
325	E	76.6	Confident	88.3	Confident	178 Å²	178	76.4 Å²	76.4	83%	0.832	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-43.5	-179.2	-68	-172.2	167.5	0	0	113.6	Y323	Y323-E325 VanDerWaalsContact C-N 3.34Å; Y323-E325 PolarHBondContact O-N 2.67Å
326	K	82.3	Confident	88.4	Confident	150 Å²	150	71.8 Å²	71.8	65%	0.652	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-11.4	-170.7	-66.5	-171.4	179	-177	0	114.2	T366 H370	K326-T366 PolarHBondContact O-OG1 3.32Å; K326-H370 WeakPolarHBondContact O-CB 3.47Å
327	G	88.1	Confident	88.5	Confident	3 Å²	3	67.6 Å²	67.6	3%	0.031	33%	0.325	C	S	.	.			trans	75	-174.9	-172.6	0	0	0	0	0	113.6	Y323 Y371	Y323-G327 VanDerWaalsContact O-CA 3.25Å; Y323-G327 WeakPolarHBondContact O-CA 3.46Å; Y323-G327 PolarHBondContact O-N 2.89Å; G327-Y371 CarbonylContact C-O 3.57Å; G327-Y371 WeakPolarHBondContact CA-O 3.14Å
328	C	91	Very high	88.8	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	132.7	-176.7	-62.5	0	0	0	0	111.3	D317 I333 H370 Y371	D317-C328 WeakPolarHBondContact CB-SG 3.39Å; C328-I333 HydrophobicContact CB-CD1 4.01Å; C328-I333 HydrophobicContact CB-CG1 3.82Å; C328-H370 WeakPolarHBondContact O-CA 3.3Å; C328-Y371 PolarHBondContact N-O 3.3Å; C328-Y371 PolarHBondContact O-N 2.81Å
329	H	93.4	Very high	89.1	Confident	67 Å²	67	78.4 Å²	78.4	31%	0.31	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	143.9	173.9	-173.6	-106	0	0	0	111.5	L331 H332 I333 S369 H370	H329-L331 PolarHBondContact ND1-N 2.84Å; H329-L331 PolarHBondContact O-N 2.82Å; H329-L331 VanDerWaalsContact O-N 3.11Å; H329-H332 WeakPolarHBondContact O-CA 3.36Å; H329-H332 VanDerWaalsContact O-CB 3.31Å; H329-H332 WeakPolarHBondContact O-CB 3.48Å; H329-H332 PolarHBondContact O-N 3.02Å; H329-I333 PolarHBondContact O-N 2.76Å; H329-S369 CarbonylContact C-O 3.55Å; H329-S369 WeakPolarHBondContact CA-O 3.48Å; H329-S369 PolarHBondContact CD2-O 2.66Å; H329-H370 AromaticContact CD2-CE1 3.51Å; H329-H370 AromaticContact CD2-ND1 3.92Å; H329-H370 AromaticContact CD2-NE2 3.85Å
330	I	94	Very high	89.3	Confident	4 Å²	4	76.3 Å²	76.3	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-53	-37.3	-177.3	-168.2	167.7	0	0	0	114	H332 I333 L334 L350 E351 L354 S369 Y371	I330-H332 VanDerWaalsContact C-N 3.33Å; I330-H332 PolarHBondContact O-N 2.83Å; I330-I333 PolarHBondContact O-N 2.86Å; I330-L334 WeakPolarHBondContact O-CB 3.42Å; I330-L334 PolarHBondContact O-N 2.67Å; I330-L350 HydrophobicContact CG1-CD2 3.95Å; I330-E351 HydrophobicContact CD1-CG 3.48Å; I330-E351 VanDerWaalsContact CD1-CG 3.48Å; I330-L354 HydrophobicContact CD1-CD1 3.89Å; I330-L354 HydrophobicContact CG1-CD1 3.92Å; I330-S369 PolarHBondContact N-O 3.2Å; I330-Y371 HydrophobicContact CB-CE2 4.31Å
331	L	93.4	Very high	89.5	Confident	100 Å²	100	71.9 Å²	71.9	52%	0.524	34%	0.34	S	S	.	.	H	α-helix	trans	-69.8	-31	178.8	-62.8	177.7	0	0	0	112.5	H329 S335	H329-L331 PolarHBondContact ND1-N 2.84Å; H329-L331 PolarHBondContact O-N 2.82Å; H329-L331 VanDerWaalsContact O-N 3.11Å; L331-S335 PolarHBondContact O-N 3.5Å
332	H	93.4	Very high	90	Very high	60 Å²	60	63.2 Å²	63.2	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-67.9	-47.8	174.3	-177.8	54.2	0	0	0	110.2	D317 Y323 H329 I330 L334 S335 A336	D317-H332 IonicContact OD1-NE2 3.4Å; D317-H332 IonicContact OD2-CD2 3.28Å; D317-H332 IonicContact OD2-NE2 2.76Å; D317-H332 PolarHBondContact OD2-NE2 3.01Å; Y323-H332 AromaticContact CE2-NE2 3.89Å; Y323-H332 AromaticContact CZ-NE2 3.95Å; H329-H332 WeakPolarHBondContact O-CA 3.36Å; H329-H332 VanDerWaalsContact O-CB 3.31Å; H329-H332 WeakPolarHBondContact O-CB 3.48Å; H329-H332 PolarHBondContact O-N 3.02Å; I330-H332 VanDerWaalsContact C-N 3.33Å; I330-H332 PolarHBondContact O-N 2.83Å; H332-L334 VanDerWaalsContact C-N 3.31Å; H332-L334 PolarHBondContact O-N 3.43Å; H332-S335 WeakPolarHBondContact O-CB 3.27Å; H332-S335 PolarHBondContact O-N 3.23Å; H332-S335 VanDerWaalsContact O-N 3.13Å; H332-A336 PolarHBondContact O-N 2.86Å
333	I	93.9	Very high	90.4	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57.4	-47.1	176	-57.7	168.5	0	0	0	109.6	V310 I314 C328 H329 I330 S335 A336 V337 L350 L354 Y371	V310-I333 HydrophobicContact CG1-CG2 4.29Å; I314-I333 HydrophobicContact CD1-CD1 4.04Å; I314-I333 HydrophobicContact CG1-CD1 3.89Å; I314-I333 HydrophobicContact CG1-CG1 4.21Å; I314-I333 HydrophobicContact CG1-CG2 4.32Å; C328-I333 HydrophobicContact CB-CD1 4.01Å; C328-I333 HydrophobicContact CB-CG1 3.82Å; H329-I333 PolarHBondContact O-N 2.76Å; I330-I333 PolarHBondContact O-N 2.86Å; I333-S335 VanDerWaalsContact C-N 3.32Å; I333-S335 PolarHBondContact O-N 2.89Å; I333-A336 PolarHBondContact O-N 3.23Å; I333-A336 VanDerWaalsContact O-N 3.17Å; I333-V337 HydrophobicContact CG2-CG2 4.16Å; I333-V337 WeakPolarHBondContact O-CB 3.41Å; I333-V337 WeakPolarHBondContact O-CG2 3.14Å; I333-V337 PolarHBondContact O-N 3.02Å; I333-L350 HydrophobicContact CB-CD2 4.29Å; I333-L350 HydrophobicContact CG2-CD1 4.03Å; I333-L350 HydrophobicContact CG2-CD2 4.1Å; I333-L354 HydrophobicContact CD1-CD2 4.4Å; I333-Y371 HydrophobicContact CD1-CD2 4Å; I333-Y371 HydrophobicContact CD1-CG 4.44Å
334	L	95.3	Very high	90.7	Very high	11 Å²	11	62 Å²	62	6%	0.058	30%	0.304	C	S	.	.	H	α-helix	trans	-58.3	-43	177.4	-174.7	61.7	0	0	0	112.5	I330 H332 V337 R338 V345 K347 L350	I330-L334 WeakPolarHBondContact O-CB 3.42Å; I330-L334 PolarHBondContact O-N 2.67Å; H332-L334 VanDerWaalsContact C-N 3.31Å; H332-L334 PolarHBondContact O-N 3.43Å; L334-V337 PolarHBondContact O-N 2.81Å; L334-R338 WeakPolarHBondContact O-CB 3.21Å; L334-R338 VanDerWaalsContact O-CG 3.28Å; L334-R338 WeakPolarHBondContact O-CG 3.48Å; L334-R338 PolarHBondContact O-N 2.85Å; L334-V345 HydrophobicContact CD1-CG1 4.37Å; L334-K347 HydrophobicContact CD2-CB 4.15Å; L334-L350 HydrophobicContact CB-CD2 3.58Å; L334-L350 HydrophobicContact CD1-CB 4.2Å; L334-L350 HydrophobicContact CD1-CD2 3.93Å; L334-L350 HydrophobicContact CG-CD2 4.32Å
335	S	95	Very high	91.5	Very high	56 Å²	56	59.6 Å²	59.6	39%	0.392	28%	0.284	S	S	.	.	H	α-helix	trans	-62.1	-45.2	176.6	-174.2	0	0	0	0	111.5	L331 H332 I333 R338 Q339	L331-S335 PolarHBondContact O-N 3.5Å; H332-S335 WeakPolarHBondContact O-CB 3.27Å; H332-S335 PolarHBondContact O-N 3.23Å; H332-S335 VanDerWaalsContact O-N 3.13Å; I333-S335 VanDerWaalsContact C-N 3.32Å; I333-S335 PolarHBondContact O-N 2.89Å; S335-R338 PolarHBondContact O-N 2.87Å; S335-Q339 WeakPolarHBondContact O-CG 3.31Å; S335-Q339 PolarHBondContact O-N 3.36Å; S335-Q339 VanDerWaalsContact O-N 3.16Å
336	A	94.3	Very high	92.3	Very high	15 Å²	15	52.7 Å²	52.7	12%	0.124	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-41.9	179.2	0	0	0	0	0	112.2	I313 H332 I333 R338 Q339 R340	I313-A336 HydrophobicContact CD1-CB 3.94Å; I313-A336 HydrophobicContact CG1-CB 4.28Å; I313-A336 HydrophobicContact CG2-CB 3.68Å; H332-A336 PolarHBondContact O-N 2.86Å; I333-A336 PolarHBondContact O-N 3.23Å; I333-A336 VanDerWaalsContact O-N 3.17Å; A336-R338 VanDerWaalsContact C-N 3.33Å; A336-R338 PolarHBondContact O-N 3.33Å; A336-Q339 PolarHBondContact O-N 3.21Å; A336-R340 PolarHBondContact O-N 3.17Å
337	V	94.9	Very high	92.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-41.4	176.2	172	0	0	0	0	111	L306 V310 I313 I333 L334 Q339 R340 Y341 S342 V345 L350	L306-V337 HydrophobicContact CD1-CG1 3.91Å; V310-V337 HydrophobicContact CG2-CG2 3.64Å; I313-V337 HydrophobicContact CD1-CB 4.29Å; I313-V337 HydrophobicContact CD1-CG2 3.57Å; I333-V337 HydrophobicContact CG2-CG2 4.16Å; I333-V337 WeakPolarHBondContact O-CB 3.41Å; I333-V337 WeakPolarHBondContact O-CG2 3.14Å; I333-V337 PolarHBondContact O-N 3.02Å; L334-V337 PolarHBondContact O-N 2.81Å; V337-Q339 VanDerWaalsContact C-N 3.27Å; V337-Q339 PolarHBondContact O-N 3.4Å; V337-R340 PolarHBondContact O-N 3.42Å; V337-Y341 WeakPolarHBondContact O-CA 3.33Å; V337-Y341 WeakPolarHBondContact O-CB 3.36Å; V337-Y341 PolarHBondContact O-N 3.49Å; V337-S342 PolarHBondContact O-N 2.91Å; V337-V345 HydrophobicContact CG1-CB 4.31Å; V337-V345 HydrophobicContact CG1-CG1 4.24Å; V337-V345 HydrophobicContact CG1-CG2 4.17Å; V337-L350 HydrophobicContact CG2-CD1 4.3Å
338	R	94.3	Very high	93.1	Very high	97 Å²	97	50.9 Å²	50.9	37%	0.366	25%	0.251	S	S	.	.	H	α-helix	trans	-64.8	-32.3	177.3	-77.4	176.7	174.7	170.7	-2	113.1	L334 S335 A336 S342 L343 V345	L334-R338 WeakPolarHBondContact O-CB 3.21Å; L334-R338 VanDerWaalsContact O-CG 3.28Å; L334-R338 WeakPolarHBondContact O-CG 3.48Å; L334-R338 PolarHBondContact O-N 2.85Å; S335-R338 PolarHBondContact O-N 2.87Å; A336-R338 VanDerWaalsContact C-N 3.33Å; A336-R338 PolarHBondContact O-N 3.33Å; R338-S342 WeakPolarHBondContact CA-O 3.48Å; R338-S342 CarbonylContact O-C 3.59Å; R338-L343 HydrophobicContact CB-CD2 4.28Å; R338-L343 WeakPolarHBondContact O-CD2 3.37Å; R338-L343 PolarHBondContact O-N 3.02Å; R338-V345 PolarHBondContact NE-O 2.89Å; R338-V345 PolarHBondContact NH2-O 3.3Å
339	Q	93.3	Very high	93.3	Very high	157 Å²	157	50.9 Å²	50.9	73%	0.734	25%	0.251	S	S	*	.	H	α-helix	trans	-77.3	-39.9	176.7	-70.5	172.1	4.1	0	0	112.7	S335 A336 V337	S335-Q339 WeakPolarHBondContact O-CG 3.31Å; S335-Q339 PolarHBondContact O-N 3.36Å; S335-Q339 VanDerWaalsContact O-N 3.16Å; A336-Q339 PolarHBondContact O-N 3.21Å; V337-Q339 VanDerWaalsContact C-N 3.27Å; V337-Q339 PolarHBondContact O-N 3.4Å
340	R	91.3	Very high	93.4	Very high	126 Å²	126	47.7 Å²	47.7	48%	0.475	24%	0.236	S	C	.	.	H	α-helix	trans	-90.7	-26.6	-174.2	-70.9	177.2	71	163.2	2.6	114.6	T309 E316 A336 V337	T309-R340 HydrophobicContact CG2-CB 4.14Å; E316-R340 VanDerWaalsContact CD-NH1 3.26Å; E316-R340 IonicContact OE1-CZ 3.34Å; E316-R340 IonicContact OE1-NH1 3.28Å; E316-R340 PolarHBondContact OE1-NH1 2.94Å; E316-R340 IonicContact OE1-NH2 3.37Å; E316-R340 PolarHBondContact OE1-NH2 3.27Å; E316-R340 IonicContact OE2-CZ 3.65Å; E316-R340 IonicContact OE2-NH1 2.84Å; E316-R340 PolarHBondContact OE2-NH1 2.85Å; E316-R340 IonicContact OE2-NH2 3.68Å; A336-R340 PolarHBondContact O-N 3.17Å; V337-R340 PolarHBondContact O-N 3.42Å
341	Y	91.8	Very high	93.4	Very high	37 Å²	37	51.1 Å²	51.1	15%	0.145	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.7	-65.3	-170.1	-169.8	-98.9	0	0	0	113.9	Y287 K289 D303 D305 L306 V337 V345	Y287-Y341 HydrophobicContact CE2-CE1 4.44Å; Y287-Y341 VanDerWaalsContact OH-CE1 3.27Å; Y287-Y341 WeakPolarHBondContact OH-CE1 3.45Å; K289-Y341 HydrophobicContact CD-CE1 4.41Å; K289-Y341 VanDerWaalsContact NZ-CZ 3.31Å; K289-Y341 PolarHBondContact NZ-OH 3.13Å; D303-Y341 VanDerWaalsContact CG-OH 3.28Å; D303-Y341 PolarHBondContact OD1-OH 3.21Å; D303-Y341 PolarHBondContact OD2-OH 3.49Å; D305-Y341 HydrophobicContact CB-CE2 3.72Å; L306-Y341 HydrophobicContact CB-CD1 4.42Å; L306-Y341 HydrophobicContact CB-CE1 3.92Å; L306-Y341 HydrophobicContact CD1-CD1 3.64Å; L306-Y341 HydrophobicContact CD1-CE1 3.93Å; L306-Y341 HydrophobicContact CD1-CG 4.24Å; L306-Y341 HydrophobicContact CG-CE1 4.42Å; V337-Y341 WeakPolarHBondContact O-CA 3.33Å; V337-Y341 WeakPolarHBondContact O-CB 3.36Å; V337-Y341 PolarHBondContact O-N 3.49Å; Y341-V345 HydrophobicContact CD1-CG2 4.4Å
342	S	90.6	Very high	93.4	Very high	9 Å²	9	48.2 Å²	48.2	6%	0.063	24%	0.237	C	C	.	.			trans	-159.6	130.2	178	174.8	0	0	0	0	112.6	K289 V337 R338 N344 V345	K289-S342 PolarHBondContact O-OG 2.99Å; V337-S342 PolarHBondContact O-N 2.91Å; R338-S342 WeakPolarHBondContact CA-O 3.48Å; R338-S342 CarbonylContact O-C 3.59Å; S342-N344 PolarHBondContact O-N 2.82Å; S342-N344 VanDerWaalsContact O-N 3.1Å; S342-N344 PolarHBondContact OG-N 3.26Å; S342-V345 PolarHBondContact O-N 3.48Å
343	L	90.6	Very high	93.4	Very high	133 Å²	133	45.4 Å²	45.4	70%	0.696	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-20.6	175.3	-65.8	172.9	0	0	0	113.5	R338	R338-L343 HydrophobicContact CB-CD2 4.28Å; R338-L343 WeakPolarHBondContact O-CD2 3.37Å; R338-L343 PolarHBondContact O-N 3.02Å
344	N	91.1	Very high	93.4	Very high	48 Å²	48	45.4 Å²	45.4	26%	0.257	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	1.1	-172.7	-63.8	-52.7	0	0	0	113.9	R288 K289 K291 S342 S346	R288-N344 WeakPolarHBondContact O-CB 3.41Å; R288-N344 PolarHBondContact O-ND2 2.76Å; K289-N344 PolarHBondContact O-ND2 2.99Å; K289-N344 VanDerWaalsContact O-ND2 3.09Å; K291-N344 VanDerWaalsContact CE-OD1 3.3Å; K291-N344 WeakPolarHBondContact CE-OD1 3.13Å; S342-N344 PolarHBondContact O-N 2.82Å; S342-N344 VanDerWaalsContact O-N 3.1Å; S342-N344 PolarHBondContact OG-N 3.26Å; N344-S346 PolarHBondContact O-N 3.03Å
345	V	92.5	Very high	93.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	25%	0.247	C	C	.	.			trans	-65.7	122.7	172.9	179.4	0	0	0	0	108.7	Y287 L306 L334 V337 R338 Y341 S342 A349	Y287-V345 HydrophobicContact CD2-CG2 4.2Å; Y287-V345 HydrophobicContact CE2-CG2 4.08Å; L306-V345 HydrophobicContact CD1-CG2 4.2Å; L334-V345 HydrophobicContact CD1-CG1 4.37Å; V337-V345 HydrophobicContact CG1-CB 4.31Å; V337-V345 HydrophobicContact CG1-CG1 4.24Å; V337-V345 HydrophobicContact CG1-CG2 4.17Å; R338-V345 PolarHBondContact NE-O 2.89Å; R338-V345 PolarHBondContact NH2-O 3.3Å; Y341-V345 HydrophobicContact CD1-CG2 4.4Å; S342-V345 PolarHBondContact O-N 3.48Å; V345-A349 HydrophobicContact CG1-CB 4.24Å
346	S	93.5	Very high	93.2	Very high	33 Å²	33	49.2 Å²	49.2	23%	0.231	24%	0.237	C	C	.	.			trans	-82.6	161.9	176.8	69.8	0	0	0	0	110.8	N344 A348 A349 L350	N344-S346 PolarHBondContact O-N 3.03Å; S346-A348 VanDerWaalsContact C-N 3.3Å; S346-A348 PolarHBondContact O-N 2.83Å; S346-A349 PolarHBondContact O-N 2.84Å; S346-A349 WeakPolarHBondContact OG-CB 3.44Å; S346-A349 PolarHBondContact OG-N 2.79Å; S346-A349 VanDerWaalsContact OG-N 3.12Å; S346-L350 PolarHBondContact O-N 2.79Å; S346-L350 VanDerWaalsContact O-N 3.09Å
347	K	94.1	Very high	93.2	Very high	91 Å²	91	48.7 Å²	48.7	40%	0.396	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-44.3	173.5	-171.6	-170	-178.8	-121.4	0	110.8	L334 A349 L350 E351	L334-K347 HydrophobicContact CD2-CB 4.15Å; K347-A349 VanDerWaalsContact C-N 3.32Å; K347-A349 PolarHBondContact O-N 2.85Å; K347-L350 WeakPolarHBondContact O-CB 3.42Å; K347-L350 PolarHBondContact O-N 2.96Å; K347-L350 VanDerWaalsContact O-N 3.12Å; K347-E351 WeakPolarHBondContact CE-OE1 3.39Å; K347-E351 HydrophobicContact CG-CG 4.5Å; K347-E351 IonicContact NZ-OE1 2.71Å; K347-E351 PolarHBondContact NZ-OE1 3.32Å; K347-E351 WeakPolarHBondContact O-CG 3.37Å; K347-E351 PolarHBondContact O-N 3.43Å
348	A	93.8	Very high	93.1	Very high	23 Å²	23	51.9 Å²	51.9	19%	0.19	25%	0.247	C	C	.	.	H	α-helix	trans	-60.4	-39.8	178.2	0	0	0	0	0	112.6	D282 S346 E351 L352	D282-A348 WeakPolarHBondContact O-CB 3.46Å; S346-A348 VanDerWaalsContact C-N 3.3Å; S346-A348 PolarHBondContact O-N 2.83Å; A348-E351 PolarHBondContact O-N 2.76Å; A348-L352 WeakPolarHBondContact O-CG 3.4Å; A348-L352 PolarHBondContact O-N 3.41Å; A348-L352 VanDerWaalsContact O-N 3.15Å
349	A	93.9	Very high	92.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.9	-41.8	175.2	0	0	0	0	0	111.3	T300 V345 S346 K347 L352 V353	T300-A349 HydrophobicContact CG2-CB 3.95Å; T300-A349 WeakPolarHBondContact CG2-O 3.34Å; V345-A349 HydrophobicContact CG1-CB 4.24Å; S346-A349 PolarHBondContact O-N 2.84Å; S346-A349 WeakPolarHBondContact OG-CB 3.44Å; S346-A349 PolarHBondContact OG-N 2.79Å; S346-A349 VanDerWaalsContact OG-N 3.12Å; K347-A349 VanDerWaalsContact C-N 3.32Å; K347-A349 PolarHBondContact O-N 2.85Å; A349-L352 PolarHBondContact O-N 3.3Å; A349-V353 WeakPolarHBondContact O-CG2 3.42Å; A349-V353 PolarHBondContact O-N 2.92Å; A349-V353 VanDerWaalsContact O-N 3.14Å
350	L	95.4	Very high	92.8	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-63.6	-41.5	175.4	179.8	64.4	0	0	0	112.2	V310 I330 I333 L334 V337 S346 K347 L352 V353 L354	V310-L350 HydrophobicContact CG1-CD1 4.09Å; V310-L350 HydrophobicContact CG2-CD1 3.86Å; I330-L350 HydrophobicContact CG1-CD2 3.95Å; I333-L350 HydrophobicContact CB-CD2 4.29Å; I333-L350 HydrophobicContact CG2-CD1 4.03Å; I333-L350 HydrophobicContact CG2-CD2 4.1Å; L334-L350 HydrophobicContact CB-CD2 3.58Å; L334-L350 HydrophobicContact CD1-CB 4.2Å; L334-L350 HydrophobicContact CD1-CD2 3.93Å; L334-L350 HydrophobicContact CG-CD2 4.32Å; V337-L350 HydrophobicContact CG2-CD1 4.3Å; S346-L350 PolarHBondContact O-N 2.79Å; S346-L350 VanDerWaalsContact O-N 3.09Å; K347-L350 WeakPolarHBondContact O-CB 3.42Å; K347-L350 PolarHBondContact O-N 2.96Å; K347-L350 VanDerWaalsContact O-N 3.12Å; L350-L352 VanDerWaalsContact C-N 3.31Å; L350-L352 PolarHBondContact O-N 2.95Å; L350-V353 WeakPolarHBondContact O-CB 3.27Å; L350-V353 PolarHBondContact O-N 3.4Å; L350-V353 VanDerWaalsContact O-N 3.15Å; L350-L354 HydrophobicContact CD1-CD1 4.29Å; L350-L354 HydrophobicContact CD1-CG 4.23Å; L350-L354 HydrophobicContact CD2-CD1 4.38Å; L350-L354 HydrophobicContact CG-CD1 3.83Å; L350-L354 HydrophobicContact CG-CG 4.26Å; L350-L354 VanDerWaalsContact O-CG 3.3Å; L350-L354 WeakPolarHBondContact O-CG 3.46Å; L350-L354 PolarHBondContact O-N 3.34Å
351	E	94.3	Very high	92.7	Very high	75 Å²	75	47.4 Å²	47.4	35%	0.35	26%	0.258	S	S	.	.	H	α-helix	trans	-58.5	-42.1	176.7	-73.4	170.1	168.3	0	0	111.6	I330 K347 A348 V353 L354 Q355	I330-E351 HydrophobicContact CD1-CG 3.48Å; I330-E351 VanDerWaalsContact CD1-CG 3.48Å; K347-E351 WeakPolarHBondContact CE-OE1 3.39Å; K347-E351 HydrophobicContact CG-CG 4.5Å; K347-E351 IonicContact NZ-OE1 2.71Å; K347-E351 PolarHBondContact NZ-OE1 3.32Å; K347-E351 WeakPolarHBondContact O-CG 3.37Å; K347-E351 PolarHBondContact O-N 3.43Å; A348-E351 PolarHBondContact O-N 2.76Å; E351-V353 PolarHBondContact O-N 2.72Å; E351-L354 PolarHBondContact O-N 3.49Å; E351-Q355 WeakPolarHBondContact O-CB 3.47Å; E351-Q355 PolarHBondContact O-N 2.88Å
352	L	93.7	Very high	92.7	Very high	40 Å²	40	47.8 Å²	47.8	21%	0.209	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-38.3	175	-70.9	173.3	0	0	0	113	G284 A348 A349 L350 T356	G284-L352 WeakPolarHBondContact O-CD1 3.41Å; A348-L352 WeakPolarHBondContact O-CG 3.4Å; A348-L352 PolarHBondContact O-N 3.41Å; A348-L352 VanDerWaalsContact O-N 3.15Å; A349-L352 PolarHBondContact O-N 3.3Å; L350-L352 VanDerWaalsContact C-N 3.31Å; L350-L352 PolarHBondContact O-N 2.95Å; L352-T356 PolarHBondContact O-N 2.96Å; L352-T356 VanDerWaalsContact O-N 3.09Å; L352-T356 PolarHBondContact O-OG1 3.19Å
353	V	94.3	Very high	92.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-46.4	175.2	173.5	0	0	0	0	110.8	T300 L306 L307 V310 A349 L350 E351 Q355 T356 L357	T300-V353 HydrophobicContact CG2-CG2 3.55Å; L306-V353 HydrophobicContact CD2-CG2 3.84Å; L306-V353 HydrophobicContact CG-CG2 4.16Å; L307-V353 HydrophobicContact CD2-CG1 3.75Å; L307-V353 HydrophobicContact CG-CG1 4.38Å; V310-V353 HydrophobicContact CB-CG1 3.95Å; V310-V353 HydrophobicContact CG1-CG1 4.05Å; V310-V353 HydrophobicContact CG2-CG1 3.87Å; A349-V353 WeakPolarHBondContact O-CG2 3.42Å; A349-V353 PolarHBondContact O-N 2.92Å; A349-V353 VanDerWaalsContact O-N 3.14Å; L350-V353 WeakPolarHBondContact O-CB 3.27Å; L350-V353 PolarHBondContact O-N 3.4Å; L350-V353 VanDerWaalsContact O-N 3.15Å; E351-V353 PolarHBondContact O-N 2.72Å; V353-Q355 VanDerWaalsContact C-N 3.34Å; V353-Q355 PolarHBondContact O-N 3.34Å; V353-T356 WeakPolarHBondContact O-CB 3.33Å; V353-T356 PolarHBondContact O-N 2.97Å; V353-T356 VanDerWaalsContact O-N 3.15Å; V353-L357 HydrophobicContact CG1-CD1 4.08Å; V353-L357 HydrophobicContact CG1-CG 4.43Å; V353-L357 WeakPolarHBondContact O-CG 3.41Å; V353-L357 PolarHBondContact O-N 2.85Å
354	L	94.2	Very high	92.9	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-61.4	-43	178.5	-68.8	165.4	0	0	0	111.4	V310 I314 I330 I333 L350 E351 T356 L357 E358 I363 Y371	V310-L354 HydrophobicContact CG1-CD2 4.1Å; I314-L354 HydrophobicContact CD1-CD2 3.59Å; I330-L354 HydrophobicContact CD1-CD1 3.89Å; I330-L354 HydrophobicContact CG1-CD1 3.92Å; I333-L354 HydrophobicContact CD1-CD2 4.4Å; L350-L354 HydrophobicContact CD1-CD1 4.29Å; L350-L354 HydrophobicContact CD1-CG 4.23Å; L350-L354 HydrophobicContact CD2-CD1 4.38Å; L350-L354 HydrophobicContact CG-CD1 3.83Å; L350-L354 HydrophobicContact CG-CG 4.26Å; L350-L354 VanDerWaalsContact O-CG 3.3Å; L350-L354 WeakPolarHBondContact O-CG 3.46Å; L350-L354 PolarHBondContact O-N 3.34Å; E351-L354 PolarHBondContact O-N 3.49Å; L354-T356 VanDerWaalsContact C-N 3.29Å; L354-T356 PolarHBondContact O-N 2.94Å; L354-L357 PolarHBondContact O-N 3.44Å; L354-E358 WeakPolarHBondContact O-CB 3.34Å; L354-E358 PolarHBondContact O-N 2.69Å; L354-I363 HydrophobicContact CB-CD1 4.28Å; L354-I363 HydrophobicContact CD2-CD1 3.57Å; L354-Y371 HydrophobicContact CB-CD1 4.48Å; L354-Y371 HydrophobicContact CB-CE1 4.01Å; L354-Y371 HydrophobicContact CD1-CD2 4Å; L354-Y371 HydrophobicContact CD1-CE1 4.38Å; L354-Y371 HydrophobicContact CD1-CE2 3.6Å; L354-Y371 HydrophobicContact CD2-CD1 4.19Å; L354-Y371 HydrophobicContact CD2-CD2 4.22Å; L354-Y371 HydrophobicContact CD2-CE1 4.47Å; L354-Y371 HydrophobicContact CD2-CG 4.05Å; L354-Y371 HydrophobicContact CG-CE2 4.48Å
355	Q	93.3	Very high	92.9	Very high	115 Å²	115	43.9 Å²	43.9	54%	0.537	25%	0.248	S	C	.	.	H	α-helix	trans	-59.8	-40.5	174.9	-173.8	179.3	15.2	0	0	111.8	E351 V353 E358 C359	E351-Q355 WeakPolarHBondContact O-CB 3.47Å; E351-Q355 PolarHBondContact O-N 2.88Å; V353-Q355 VanDerWaalsContact C-N 3.34Å; V353-Q355 PolarHBondContact O-N 3.34Å; Q355-E358 PolarHBondContact O-N 2.73Å; Q355-C359 PolarHBondContact O-N 2.93Å; Q355-C359 PolarHBondContact O-SG 3.4Å
356	T	92.6	Very high	92.6	Very high	32 Å²	32	46.8 Å²	46.8	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-46.8	177.9	-54.2	0	0	0	0	111	L307 L352 V353 L354 E358 C359 D360	L307-T356 HydrophobicContact CD2-CG2 4.24Å; L352-T356 PolarHBondContact O-N 2.96Å; L352-T356 VanDerWaalsContact O-N 3.09Å; L352-T356 PolarHBondContact O-OG1 3.19Å; V353-T356 WeakPolarHBondContact O-CB 3.33Å; V353-T356 PolarHBondContact O-N 2.97Å; V353-T356 VanDerWaalsContact O-N 3.15Å; L354-T356 VanDerWaalsContact C-N 3.29Å; L354-T356 PolarHBondContact O-N 2.94Å; T356-E358 VanDerWaalsContact C-N 3.3Å; T356-E358 PolarHBondContact O-N 3.44Å; T356-C359 WeakPolarHBondContact O-CB 3.44Å; T356-C359 PolarHBondContact O-N 3.39Å; T356-D360 PolarHBondContact O-N 2.94Å
357	L	92.9	Very high	92.2	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	28%	0.275	C	S	.	.	H	α-helix	trans	-64.2	-33.9	177.7	-67.7	174.4	0	0	0	112.6	L307 V310 K311 V353 L354 D360 S361 D362 I363	L307-L357 HydrophobicContact CD2-CD2 3.88Å; L307-L357 HydrophobicContact CD2-CG 4Å; V310-L357 HydrophobicContact CB-CD1 4.2Å; V310-L357 HydrophobicContact CG1-CD1 3.78Å; K311-L357 HydrophobicContact CB-CD1 4.37Å; K311-L357 HydrophobicContact CB-CD2 4.44Å; V353-L357 HydrophobicContact CG1-CD1 4.08Å; V353-L357 HydrophobicContact CG1-CG 4.43Å; V353-L357 WeakPolarHBondContact O-CG 3.41Å; V353-L357 PolarHBondContact O-N 2.85Å; L354-L357 PolarHBondContact O-N 3.44Å; L357-D360 PolarHBondContact O-N 3.22Å; L357-S361 PolarHBondContact O-N 3.08Å; L357-D362 HydrophobicContact CB-CB 4.3Å; L357-D362 HydrophobicContact CD2-CB 4.2Å; L357-D362 WeakPolarHBondContact O-CB 3.35Å; L357-D362 PolarHBondContact O-N 2.84Å; L357-I363 HydrophobicContact CB-CD1 3.77Å; L357-I363 HydrophobicContact CB-CG1 3.79Å; L357-I363 HydrophobicContact CB-CG2 4.47Å; L357-I363 HydrophobicContact CD1-CD1 4.37Å
358	E	92.8	Very high	91.6	Very high	67 Å²	67	51 Å²	51	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-69.5	-41.4	175.1	-173.4	168.2	-144.6	0	0	111.3	L354 Q355 T356 D360 S361 I363 S365	L354-E358 WeakPolarHBondContact O-CB 3.34Å; L354-E358 PolarHBondContact O-N 2.69Å; Q355-E358 PolarHBondContact O-N 2.73Å; T356-E358 VanDerWaalsContact C-N 3.3Å; T356-E358 PolarHBondContact O-N 3.44Å; E358-D360 VanDerWaalsContact C-N 3.28Å; E358-D360 PolarHBondContact O-N 3.08Å; E358-S361 PolarHBondContact O-N 2.89Å; E358-S361 VanDerWaalsContact O-N 3.08Å; E358-I363 HydrophobicContact CB-CG1 4.23Å; E358-S365 VanDerWaalsContact OE1-CB 3.27Å; E358-S365 WeakPolarHBondContact OE1-CB 3.44Å; E358-S365 PolarHBondContact OE1-N 2.97Å; E358-S365 PolarHBondContact OE1-OG 3.26Å
359	C	91.3	Very high	91.4	Very high	96 Å²	96	52.2 Å²	52.2	65%	0.649	30%	0.302	S	S	*	.	H	α-helix	trans	-61.2	-36.3	172.4	-70.9	0	0	0	0	112.7	Q355 T356 S361	Q355-C359 PolarHBondContact O-N 2.93Å; Q355-C359 PolarHBondContact O-SG 3.4Å; T356-C359 WeakPolarHBondContact O-CB 3.44Å; T356-C359 PolarHBondContact O-N 3.39Å; C359-S361 PolarHBondContact O-N 3.24Å
360	D	90.4	Very high	91.3	Very high	105 Å²	105	54.6 Å²	54.6	56%	0.561	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	2.1	177.3	-69.2	-18.9	0	0	0	113.1	T356 L357 E358 D362	T356-D360 PolarHBondContact O-N 2.94Å; L357-D360 PolarHBondContact O-N 3.22Å; E358-D360 VanDerWaalsContact C-N 3.28Å; E358-D360 PolarHBondContact O-N 3.08Å; D360-D362 PolarHBondContact O-N 2.93Å
361	S	90	Very high	91.2	Very high	85 Å²	85	56 Å²	56	59%	0.594	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	30.4	-177.1	-51.1	0	0	0	0	114	L357 E358 C359 F374	L357-S361 PolarHBondContact O-N 3.08Å; E358-S361 PolarHBondContact O-N 2.89Å; E358-S361 VanDerWaalsContact O-N 3.08Å; C359-S361 PolarHBondContact O-N 3.24Å; S361-F374 WeakPolarHBondContact O-CD2 3.39Å; S361-F374 WeakPolarHBondContact O-CE2 3.27Å
362	D	90.8	Very high	91.1	Very high	46 Å²	46	54 Å²	54	25%	0.246	31%	0.309	C	S	.	.	S	Bend	trans	-87	-27.9	175.9	-85.5	-29.8	0	0	0	112.6	K311 L357 D360 F374	K311-D362 HydrophobicContact CD-CB 4.48Å; K311-D362 WeakPolarHBondContact CE-OD1 3.48Å; K311-D362 WeakPolarHBondContact CE-OD2 3.41Å; K311-D362 IonicContact NZ-OD1 2.82Å; K311-D362 PolarHBondContact NZ-OD1 3.2Å; K311-D362 IonicContact NZ-OD2 2.67Å; K311-D362 PolarHBondContact NZ-OD2 3.05Å; L357-D362 HydrophobicContact CB-CB 4.3Å; L357-D362 HydrophobicContact CD2-CB 4.2Å; L357-D362 WeakPolarHBondContact O-CB 3.35Å; L357-D362 PolarHBondContact O-N 2.84Å; D360-D362 PolarHBondContact O-N 2.93Å; D362-F374 PolarHBondContact O-N 3Å
363	I	93.4	Very high	90.9	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	164.2	177.9	67.7	176.6	0	0	0	110	I314 L354 L357 E358 Y371 I372 F374	I314-I363 HydrophobicContact CD1-CD1 4.05Å; I314-I363 HydrophobicContact CD1-CG2 4.03Å; I314-I363 HydrophobicContact CG2-CG2 4.16Å; L354-I363 HydrophobicContact CB-CD1 4.28Å; L354-I363 HydrophobicContact CD2-CD1 3.57Å; L357-I363 HydrophobicContact CB-CD1 3.77Å; L357-I363 HydrophobicContact CB-CG1 3.79Å; L357-I363 HydrophobicContact CB-CG2 4.47Å; L357-I363 HydrophobicContact CD1-CD1 4.37Å; E358-I363 HydrophobicContact CB-CG1 4.23Å; I363-Y371 HydrophobicContact CD1-CD1 3.84Å; I363-Y371 HydrophobicContact CD1-CG 4.4Å; I363-I372 CarbonylContact C-O 3.55Å; I363-I372 WeakPolarHBondContact CA-O 3.42Å; I363-I372 WeakPolarHBondContact CB-O 3.48Å; I363-F374 WeakPolarHBondContact O-CE2 3.48Å
364	V	92.3	Very high	90.1	Very high	51 Å²	51	61.6 Å²	61.6	31%	0.309	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.2	172.7	65	0	0	0	0	111	Y371 I372 F374	V364-Y371 WeakPolarHBondContact O-CA 3.48Å; V364-I372 HydrophobicContact CG1-CG2 3.33Å; V364-I372 PolarHBondContact N-O 3.45Å; V364-I372 PolarHBondContact O-N 2.92Å; V364-F374 HydrophobicContact CB-CE2 4.01Å; V364-F374 HydrophobicContact CB-CZ 3.94Å; V364-F374 HydrophobicContact CG1-CZ 4.42Å
365	S	91.1	Very high	89.9	Confident	54 Å²	54	64.7 Å²	64.7	38%	0.378	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	122.3	169.4	57	0	0	0	0	110.8	E358 H370	E358-S365 VanDerWaalsContact OE1-CB 3.27Å; E358-S365 WeakPolarHBondContact OE1-CB 3.44Å; E358-S365 PolarHBondContact OE1-N 2.97Å; E358-S365 PolarHBondContact OE1-OG 3.26Å; S365-H370 WeakPolarHBondContact CA-O 3.08Å
366	T	86.9	Confident	89.8	Confident	63 Å²	63	62 Å²	62	39%	0.387	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	-27.5	-179.2	55.3	0	0	0	0	112.4	K326 H370 I372	K326-T366 PolarHBondContact O-OG1 3.32Å; T366-H370 PolarHBondContact N-O 2.87Å; T366-H370 WeakPolarHBondContact OG1-CB 3.42Å; T366-I372 HydrophobicContact CG2-CB 4.12Å; T366-I372 HydrophobicContact CG2-CG2 3.52Å
367	S	85.3	Confident	89.6	Confident	60 Å²	60	63.7 Å²	63.7	42%	0.42	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	177.3	177.3	60	0	0	0	0	109.3	S369 H370	S367-S369 PolarHBondContact O-N 3.05Å; S367-H370 PolarHBondContact O-N 2.89Å; S367-H370 VanDerWaalsContact O-N 3.08Å; S367-H370 WeakPolarHBondContact OG-CB 3.37Å; S367-H370 PolarHBondContact OG-ND1 3.43Å
368	D	82.1	Confident	89.4	Confident	152 Å²	152	67.2 Å²	67.2	81%	0.813	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	114.1	173.4	-65.6	-15.5	0	0	0	110	H370	D368-H370 PolarHBondContact O-N 2.97Å; D368-H370 PolarHBondContact O-ND1 2.93Å
369	S	89.1	Confident	89.2	Confident	48 Å²	48	67.2 Å²	67.2	34%	0.336	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.4	17.3	178.2	-49.3	0	0	0	0	117.4	H329 I330 S367	H329-S369 CarbonylContact C-O 3.55Å; H329-S369 WeakPolarHBondContact CA-O 3.48Å; H329-S369 PolarHBondContact CD2-O 2.66Å; I330-S369 PolarHBondContact N-O 3.2Å; S367-S369 PolarHBondContact O-N 3.05Å
370	H	91.8	Very high	89.1	Confident	51 Å²	51	65.3 Å²	65.3	24%	0.236	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	138.5	173.4	-67.7	76.1	0	0	0	112.7	K326 C328 H329 S365 T366 S367 D368	K326-H370 WeakPolarHBondContact O-CB 3.47Å; C328-H370 WeakPolarHBondContact O-CA 3.3Å; H329-H370 AromaticContact CD2-CE1 3.51Å; H329-H370 AromaticContact CD2-ND1 3.92Å; H329-H370 AromaticContact CD2-NE2 3.85Å; S365-H370 WeakPolarHBondContact CA-O 3.08Å; T366-H370 PolarHBondContact N-O 2.87Å; T366-H370 WeakPolarHBondContact OG1-CB 3.42Å; S367-H370 PolarHBondContact O-N 2.89Å; S367-H370 VanDerWaalsContact O-N 3.08Å; S367-H370 WeakPolarHBondContact OG-CB 3.37Å; S367-H370 PolarHBondContact OG-ND1 3.43Å; D368-H370 PolarHBondContact O-N 2.97Å; D368-H370 PolarHBondContact O-ND1 2.93Å
371	Y	92.5	Very high	89	Confident	31 Å²	31	62.4 Å²	62.4	12%	0.122	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.9	-175.3	-58	-90.7	0	0	0	111.4	G327 C328 I330 I333 L354 I363 V364	G327-Y371 CarbonylContact C-O 3.57Å; G327-Y371 WeakPolarHBondContact CA-O 3.14Å; C328-Y371 PolarHBondContact N-O 3.3Å; C328-Y371 PolarHBondContact O-N 2.81Å; I330-Y371 HydrophobicContact CB-CE2 4.31Å; I333-Y371 HydrophobicContact CD1-CD2 4Å; I333-Y371 HydrophobicContact CD1-CG 4.44Å; L354-Y371 HydrophobicContact CB-CD1 4.48Å; L354-Y371 HydrophobicContact CB-CE1 4.01Å; L354-Y371 HydrophobicContact CD1-CD2 4Å; L354-Y371 HydrophobicContact CD1-CE1 4.38Å; L354-Y371 HydrophobicContact CD1-CE2 3.6Å; L354-Y371 HydrophobicContact CD2-CD1 4.19Å; L354-Y371 HydrophobicContact CD2-CD2 4.22Å; L354-Y371 HydrophobicContact CD2-CE1 4.47Å; L354-Y371 HydrophobicContact CD2-CG 4.05Å; L354-Y371 HydrophobicContact CG-CE2 4.48Å; I363-Y371 HydrophobicContact CD1-CD1 3.84Å; I363-Y371 HydrophobicContact CD1-CG 4.4Å; V364-Y371 WeakPolarHBondContact O-CA 3.48Å
372	I	92.3	Very high	88.9	Confident	31 Å²	31	60.7 Å²	60.7	16%	0.159	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	146.2	173.8	-163.3	171.9	0	0	0	109.1	S318 A324 I363 V364 T366	S318-I372 WeakPolarHBondContact OG-CG1 3.47Å; A324-I372 WeakPolarHBondContact O-CD1 3.49Å; I363-I372 CarbonylContact C-O 3.55Å; I363-I372 WeakPolarHBondContact CA-O 3.42Å; I363-I372 WeakPolarHBondContact CB-O 3.48Å; V364-I372 HydrophobicContact CG1-CG2 3.33Å; V364-I372 PolarHBondContact N-O 3.45Å; V364-I372 PolarHBondContact O-N 2.92Å; T366-I372 HydrophobicContact CG2-CB 4.12Å; T366-I372 HydrophobicContact CG2-CG2 3.52Å
373	A	89.3	Confident	88.7	Confident	18 Å²	18	61.9 Å²	61.9	15%	0.149	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	149.4	173.3	0	0	0	0	0	110.4	I314 R315 S318	I314-A373 HydrophobicContact CG2-CB 4.03Å; R315-A373 HydrophobicContact CB-CB 4.24Å; S318-A373 PolarHBondContact OG-N 3.06Å
374	F	79	Confident	88.3	Confident	182 Å²	182	67.4 Å²	67.4	80%	0.798	37%	0.373	S	S	*	.			trans	-67.7	0	166	-78.4	-77.9	0	0	0	112.5	S361 D362 I363 V364	S361-F374 WeakPolarHBondContact O-CD2 3.39Å; S361-F374 WeakPolarHBondContact O-CE2 3.27Å; D362-F374 PolarHBondContact O-N 3Å; I363-F374 WeakPolarHBondContact O-CE2 3.48Å; V364-F374 HydrophobicContact CB-CE2 4.01Å; V364-F374 HydrophobicContact CB-CZ 3.94Å; V364-F374 HydrophobicContact CG1-CZ 4.42Å

Retrieved 374 of 374 residues in 300.1 ms (Link to these results)

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