X2JIH1_DROME Loading...

Sorting nexin 27, isoform D

AlphaFold DB , UniProt , Accession X2JIH1, Species DROME (Drosophila melanogaster, Fruit fly), Gene Snx27, Length 430 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.8	Very low	45.9	Very low	184 Å²	184	78.4 Å²	78.4	91%	0.906	44%	0.441	S	S	*	.				0	108.7	0	-172.6	-176.2	-80.2	0	0	106.4	P3 E48	M1-P3 WeakPolarHBondContact O-CD 3.35Å; M1-E48 PolarHBondContact N-OE1 3.41Å
2	L	26.2	Very low	47.6	Very low	115 Å²	115	77.5 Å²	77.5	60%	0.602	44%	0.444	S	S	*	.			trans	-74.1	125.8	-166	-68.2	166.6	0	0	0	111.8	F4	L2-F4 HydrophobicContact CB-CZ 4.46Å; L2-F4 WeakPolarHBondContact O-CD2 3.37Å; L2-F4 PolarHBondContact O-N 3.37Å
3	P	29.8	Very low	49.3	Very low	50 Å²	50	72.8 Å²	72.8	33%	0.325	42%	0.417	S	S	.	.			trans	-76.2	115.5	171.4	28.6	-29.1	0	0	0	109.4	M1 L47	M1-P3 WeakPolarHBondContact O-CD 3.35Å; P3-L47 HydrophobicContact CB-CD1 4.37Å; P3-L47 HydrophobicContact CG-CB 3.85Å; P3-L47 HydrophobicContact CG-CD1 3.58Å; P3-L47 HydrophobicContact CG-CG 4.36Å
4	F	42	Very low	50.3	Low	163 Å²	163	77 Å²	77	72%	0.715	43%	0.432	S	S	*	.			trans	-84.7	116	-179.5	-65.3	-81.4	0	0	0	110.9	L2	L2-F4 HydrophobicContact CB-CZ 4.46Å; L2-F4 WeakPolarHBondContact O-CD2 3.37Å; L2-F4 PolarHBondContact O-N 3.37Å
5	H	45.6	Very low	51	Low	60 Å²	60	77.4 Å²	77.4	28%	0.278	46%	0.46	S	S	.	.			trans	-82.9	110.3	153.7	-67.8	-82.7	0	0	0	107.5	E14	H5-E14 VanDerWaalsContact CE1-CG 3.46Å; H5-E14 WeakPolarHBondContact CE1-CG 3.5Å; H5-E14 IonicContact CE1-OE1 3.52Å; H5-E14 PolarHBondContact CE1-OE1 3.04Å; H5-E14 IonicContact CE1-OE2 3.3Å; H5-E14 VanDerWaalsContact ND1-CD 3.25Å; H5-E14 VanDerWaalsContact ND1-CG 3.34Å; H5-E14 WeakPolarHBondContact ND1-CG 3.33Å; H5-E14 IonicContact ND1-OE1 3.33Å; H5-E14 IonicContact ND1-OE2 2.77Å; H5-E14 PolarHBondContact ND1-OE2 3.26Å
6	S	48.5	Very low	51.8	Low	43 Å²	43	74.9 Å²	74.9	30%	0.301	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	138.6	171.2	50.2	0	0	0	0	110.3	V13	S6-V13 WeakPolarHBondContact O-CG2 3.4Å; S6-V13 PolarHBondContact O-N 2.77Å; S6-V13 VanDerWaalsContact O-N 3.09Å; S6-V13 WeakPolarHBondContact OG-CG2 3.31Å
7	V	51.6	Low	52.6	Low	25 Å²	25	75.2 Å²	75.2	15%	0.152	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.3	164.2	-179.7	0	0	0	0	106	V11 I37	V7-V11 CarbonylContact C-O 3.54Å; V7-V11 WeakPolarHBondContact CA-O 3.31Å; V7-I37 HydrophobicContact CG2-CD1 4.04Å
8	Q	53.4	Low	52.7	Low	6 Å²	6	79.8 Å²	79.8	3%	0.028	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	116.2	179.7	-175.2	170.1	5.2	0	0	109.7	G10 V11 V13 V21 L24 L32	Q8-G10 PolarHBondContact O-N 3.04Å; Q8-V11 PolarHBondContact N-O 2.68Å; Q8-V11 WeakPolarHBondContact O-CB 3.42Å; Q8-V11 PolarHBondContact O-N 2.95Å; Q8-V13 HydrophobicContact CB-CG1 4.02Å; Q8-V21 PolarHBondContact OE1-O 3.43Å; Q8-L24 VanDerWaalsContact CD-CB 3.42Å; Q8-L24 HydrophobicContact CG-CB 4.21Å; Q8-L24 PolarHBondContact NE2-O 3.47Å; Q8-L32 HydrophobicContact CG-CD1 4.03Å
9	N	56.3	Low	53.2	Low	73 Å²	73	83.7 Å²	83.7	39%	0.39	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	35.3	-178.4	-61.8	-18.6	0	0	0	113.6
10	G	59.5	Low	53.6	Low	68 Å²	68	84.6 Å²	84.6	70%	0.701	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	3.6	-176.5	0	0	0	0	0	115.4	Q8	Q8-G10 PolarHBondContact O-N 3.04Å
11	V	62.7	Low	54.3	Low	75 Å²	75	82.4 Å²	82.4	46%	0.455	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	123.9	178.2	-173.8	0	0	0	0	110.4	V7 Q8 V13	V7-V11 CarbonylContact C-O 3.54Å; V7-V11 WeakPolarHBondContact CA-O 3.31Å; Q8-V11 PolarHBondContact N-O 2.68Å; Q8-V11 WeakPolarHBondContact O-CB 3.42Å; Q8-V11 PolarHBondContact O-N 2.95Å; V11-V13 PolarHBondContact O-N 3.28Å
12	S	67.3	Low	56.2	Low	68 Å²	68	75.7 Å²	75.7	48%	0.476	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	131.8	174.2	-179.9	0	0	0	0	110.3	E14	S12-E14 WeakPolarHBondContact OG-CB 3.42Å; S12-E14 PolarHBondContact OG-N 3.38Å
13	V	68.8	Low	58.5	Low	16 Å²	16	73.9 Å²	73.9	10%	0.097	43%	0.427	C	S	.	.			trans	-102.9	17.4	173.1	-59	0	0	0	0	113	S6 Q8 V11 G15 A16 V21 L24	S6-V13 WeakPolarHBondContact O-CG2 3.4Å; S6-V13 PolarHBondContact O-N 2.77Å; S6-V13 VanDerWaalsContact O-N 3.09Å; S6-V13 WeakPolarHBondContact OG-CG2 3.31Å; Q8-V13 HydrophobicContact CB-CG1 4.02Å; V11-V13 PolarHBondContact O-N 3.28Å; V13-G15 PolarHBondContact O-N 3.17Å; V13-A16 HydrophobicContact CB-CB 4.01Å; V13-A16 VanDerWaalsContact O-CB 3.26Å; V13-A16 WeakPolarHBondContact O-CB 3.44Å; V13-A16 PolarHBondContact O-N 2.93Å; V13-V21 HydrophobicContact CB-CG2 4.21Å; V13-V21 HydrophobicContact CG1-CG2 4.43Å; V13-L24 HydrophobicContact CG1-CD1 3.67Å
14	E	63.2	Low	60.5	Low	132 Å²	132	73.6 Å²	73.6	62%	0.617	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	121.7	173.9	-175.6	173.7	-177.2	0	0	111.1	H5 S12 A16	H5-E14 VanDerWaalsContact CE1-CG 3.46Å; H5-E14 WeakPolarHBondContact CE1-CG 3.5Å; H5-E14 IonicContact CE1-OE1 3.52Å; H5-E14 PolarHBondContact CE1-OE1 3.04Å; H5-E14 IonicContact CE1-OE2 3.3Å; H5-E14 VanDerWaalsContact ND1-CD 3.25Å; H5-E14 VanDerWaalsContact ND1-CG 3.34Å; H5-E14 WeakPolarHBondContact ND1-CG 3.33Å; H5-E14 IonicContact ND1-OE1 3.33Å; H5-E14 IonicContact ND1-OE2 2.77Å; H5-E14 PolarHBondContact ND1-OE2 3.26Å; S12-E14 WeakPolarHBondContact OG-CB 3.42Å; S12-E14 PolarHBondContact OG-N 3.38Å; E14-A16 PolarHBondContact O-N 3.35Å
15	G	60.8	Low	61.7	Low	83 Å²	83	70 Å²	70	86%	0.856	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	5.9	-176.3	0	0	0	0	0	115.2	V13	V13-G15 PolarHBondContact O-N 3.17Å
16	A	64.9	Low	63	Low	37 Å²	37	74.5 Å²	74.5	31%	0.306	43%	0.429	S	S	.	.			trans	-71.5	142.4	177.2	0	0	0	0	0	111.7	V13 E14 Q20 V21	V13-A16 HydrophobicContact CB-CB 4.01Å; V13-A16 VanDerWaalsContact O-CB 3.26Å; V13-A16 WeakPolarHBondContact O-CB 3.44Å; V13-A16 PolarHBondContact O-N 2.93Å; E14-A16 PolarHBondContact O-N 3.35Å; A16-Q20 HydrophobicContact CB-CB 4.32Å; A16-V21 HydrophobicContact CB-CG2 3.92Å
17	T	65.1	Low	64.2	Low	80 Å²	80	76.5 Å²	76.5	49%	0.491	44%	0.443	S	S	.	.			trans	-73	153.6	171.9	63.7	0	0	0	0	110.7	K19 Q20 V21	T17-K19 PolarHBondContact O-N 3.12Å; T17-K19 VanDerWaalsContact O-N 3.08Å; T17-Q20 WeakPolarHBondContact O-CB 3.32Å; T17-Q20 PolarHBondContact O-N 3.05Å; T17-Q20 VanDerWaalsContact OG1-CD 3.29Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.36Å; T17-Q20 PolarHBondContact OG1-OE1 3.34Å; T17-V21 PolarHBondContact O-N 2.83Å; T17-V21 VanDerWaalsContact O-N 3.15Å
18	H	54.9	Low	64.8	Low	159 Å²	159	76.3 Å²	76.3	74%	0.736	45%	0.446	S	S	*	.	H	α-helix	trans	-50.9	-38.3	178.6	-177	67	0	0	0	113.2	V21 V22	H18-V21 PolarHBondContact O-N 3.12Å; H18-V22 VanDerWaalsContact O-CG2 3.28Å; H18-V22 WeakPolarHBondContact O-CG2 3.48Å; H18-V22 PolarHBondContact O-N 3.17Å
19	K	60.8	Low	65.6	Low	154 Å²	154	78.9 Å²	78.9	67%	0.67	47%	0.474	S	S	*	.	H	α-helix	trans	-61.7	-44	176.3	-175.7	178.6	176.4	-177.3	0	112.3	T17 V21 V22 D23	T17-K19 PolarHBondContact O-N 3.12Å; T17-K19 VanDerWaalsContact O-N 3.08Å; K19-V21 VanDerWaalsContact C-N 3.35Å; K19-V22 PolarHBondContact O-N 3.42Å; K19-D23 VanDerWaalsContact O-CG 3.26Å; K19-D23 PolarHBondContact O-N 2.67Å
20	Q	62.4	Low	65.9	Low	101 Å²	101	84.2 Å²	84.2	47%	0.472	50%	0.502	S	S	.	.	H	α-helix	trans	-66.4	-38.4	-179.6	-70.9	164.8	-48.9	0	0	111.7	A16 T17 D23 L24	A16-Q20 HydrophobicContact CB-CB 4.32Å; T17-Q20 WeakPolarHBondContact O-CB 3.32Å; T17-Q20 PolarHBondContact O-N 3.05Å; T17-Q20 VanDerWaalsContact OG1-CD 3.29Å; T17-Q20 WeakPolarHBondContact OG1-CG 3.36Å; T17-Q20 PolarHBondContact OG1-OE1 3.34Å; Q20-D23 PolarHBondContact O-N 3.37Å; Q20-L24 WeakPolarHBondContact O-CG 3.35Å; Q20-L24 PolarHBondContact O-N 3.1Å
21	V	67.2	Low	65.6	Low	38 Å²	38	85.3 Å²	85.3	23%	0.23	50%	0.499	C	S	.	.	H	α-helix	trans	-64.9	-45	174.8	-179.4	0	0	0	0	110.8	Q8 V13 A16 T17 H18 K19 D23 L24 I25	Q8-V21 PolarHBondContact OE1-O 3.43Å; V13-V21 HydrophobicContact CB-CG2 4.21Å; V13-V21 HydrophobicContact CG1-CG2 4.43Å; A16-V21 HydrophobicContact CB-CG2 3.92Å; T17-V21 PolarHBondContact O-N 2.83Å; T17-V21 VanDerWaalsContact O-N 3.15Å; H18-V21 PolarHBondContact O-N 3.12Å; K19-V21 VanDerWaalsContact C-N 3.35Å; V21-D23 VanDerWaalsContact C-N 3.33Å; V21-D23 PolarHBondContact O-N 3.34Å; V21-L24 PolarHBondContact O-N 2.77Å; V21-I25 HydrophobicContact CG1-CD1 4.24Å; V21-I25 WeakPolarHBondContact O-CG1 3.49Å; V21-I25 PolarHBondContact O-N 2.92Å
22	V	69.8	Low	65.3	Low	43 Å²	43	85.8 Å²	85.8	26%	0.261	50%	0.498	S	S	.	.	H	α-helix	trans	-62.5	-39.5	177.5	169.6	0	0	0	0	112.1	H18 K19 I25 K26	H18-V22 VanDerWaalsContact O-CG2 3.28Å; H18-V22 WeakPolarHBondContact O-CG2 3.48Å; H18-V22 PolarHBondContact O-N 3.17Å; K19-V22 PolarHBondContact O-N 3.42Å; V22-I25 PolarHBondContact O-N 3.27Å; V22-K26 HydrophobicContact CG1-CD 4.28Å; V22-K26 WeakPolarHBondContact O-CG 3.31Å; V22-K26 PolarHBondContact O-N 3.06Å
23	D	73.6	Confident	64.7	Low	77 Å²	77	86.6 Å²	86.6	41%	0.412	50%	0.5	S	S	.	.	H	α-helix	trans	-67.9	-36.5	177.9	-69.8	-21.2	0	0	0	111.5	K19 Q20 V21 I25 K26 S27	K19-D23 VanDerWaalsContact O-CG 3.26Å; K19-D23 PolarHBondContact O-N 2.67Å; Q20-D23 PolarHBondContact O-N 3.37Å; V21-D23 VanDerWaalsContact C-N 3.33Å; V21-D23 PolarHBondContact O-N 3.34Å; D23-I25 VanDerWaalsContact C-N 3.34Å; D23-K26 PolarHBondContact O-N 2.85Å; D23-S27 WeakPolarHBondContact O-CB 3.34Å; D23-S27 PolarHBondContact O-N 3.1Å
24	L	71.6	Confident	64	Low	44 Å²	44	91 Å²	91	23%	0.23	52%	0.523	C	S	.	.	H	α-helix	trans	-64.5	-37.8	171.8	-73.6	165.8	0	0	0	111.8	Q8 V13 Q20 V21 S27 G28	Q8-L24 VanDerWaalsContact CD-CB 3.42Å; Q8-L24 HydrophobicContact CG-CB 4.21Å; Q8-L24 PolarHBondContact NE2-O 3.47Å; V13-L24 HydrophobicContact CG1-CD1 3.67Å; Q20-L24 WeakPolarHBondContact O-CG 3.35Å; Q20-L24 PolarHBondContact O-N 3.1Å; V21-L24 PolarHBondContact O-N 2.77Å; L24-S27 WeakPolarHBondContact CA-OG 3.39Å; L24-S27 PolarHBondContact O-N 3.39Å; L24-S27 PolarHBondContact O-OG 3Å; L24-G28 PolarHBondContact O-N 3.29Å
25	I	68.7	Low	63.4	Low	88 Å²	88	88.3 Å²	88.3	45%	0.451	52%	0.515	S	S	.	.	H	α-helix	trans	-64	-46.9	176.8	-66.6	168.6	0	0	0	110	V21 V22 D23 S27 G28	V21-I25 HydrophobicContact CG1-CD1 4.24Å; V21-I25 WeakPolarHBondContact O-CG1 3.49Å; V21-I25 PolarHBondContact O-N 2.92Å; V22-I25 PolarHBondContact O-N 3.27Å; D23-I25 VanDerWaalsContact C-N 3.34Å; I25-S27 PolarHBondContact O-N 2.81Å; I25-G28 PolarHBondContact O-N 2.8Å; I25-G28 VanDerWaalsContact O-N 3.12Å
26	K	72.8	Confident	62.8	Low	154 Å²	154	89.9 Å²	89.9	67%	0.67	51%	0.508	S	S	*	.	H	α-helix	trans	-62.6	-30.6	177.2	-70.1	172.4	-177.9	172.7	0	112.9	V22 D23 G28	V22-K26 HydrophobicContact CG1-CD 4.28Å; V22-K26 WeakPolarHBondContact O-CG 3.31Å; V22-K26 PolarHBondContact O-N 3.06Å; D23-K26 PolarHBondContact O-N 2.85Å; K26-G28 VanDerWaalsContact C-N 3.3Å
27	S	72.8	Confident	62.2	Low	85 Å²	85	92.7 Å²	92.7	59%	0.594	52%	0.517	S	S	*	.	H	α-helix	trans	-76	-14.5	178	75.9	0	0	0	0	114.2	D23 L24 I25 G29	D23-S27 WeakPolarHBondContact O-CB 3.34Å; D23-S27 PolarHBondContact O-N 3.1Å; L24-S27 WeakPolarHBondContact CA-OG 3.39Å; L24-S27 PolarHBondContact O-N 3.39Å; L24-S27 PolarHBondContact O-OG 3Å; I25-S27 PolarHBondContact O-N 2.81Å; S27-G29 PolarHBondContact O-N 3.4Å
28	G	63.5	Low	61.7	Low	22 Å²	22	94.4 Å²	94.4	23%	0.227	53%	0.532	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.5	-176.2	0	0	0	0	0	116.2	L24 I25 K26	L24-G28 PolarHBondContact O-N 3.29Å; I25-G28 PolarHBondContact O-N 2.8Å; I25-G28 VanDerWaalsContact O-N 3.12Å; K26-G28 VanDerWaalsContact C-N 3.3Å
29	G	70.9	Confident	61.8	Low	60 Å²	60	89.2 Å²	89.2	62%	0.619	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	-133.8	-176	0	0	0	0	0	112.1	S27	S27-G29 PolarHBondContact O-N 3.4Å
30	D	63.7	Low	62	Low	184 Å²	184	85.7 Å²	85.7	98%	0.984	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	3.1	-171.9	-58.3	-26.5	0	0	0	114.2
31	C	52.4	Low	61.7	Low	92 Å²	92	87.3 Å²	87.3	62%	0.622	51%	0.511	S	S	*	.			trans	-138.1	134.6	-177.8	-170.1	0	0	0	0	111.9
32	L	56.4	Low	61.3	Low	84 Å²	84	93 Å²	93	44%	0.44	54%	0.535	S	S	.	.			trans	-113.4	118.4	175.6	-173.8	73.4	0	0	0	109.3	Q8 L34	Q8-L32 HydrophobicContact CG-CD1 4.03Å; L32-L34 HydrophobicContact CD2-CD1 4.09Å; L32-L34 HydrophobicContact CD2-CD2 4.08Å; L32-L34 HydrophobicContact CD2-CG 4.03Å; L32-L34 HydrophobicContact CG-CD2 4.27Å; L32-L34 HydrophobicContact CG-CG 4.18Å
33	T	54.4	Low	60.7	Low	86 Å²	86	95.6 Å²	95.6	53%	0.528	54%	0.544	S	S	.	.			trans	-99	117.9	171.8	-56.7	0	0	0	0	109.5
34	L	54.2	Low	59.9	Low	108 Å²	108	92.1 Å²	92.1	57%	0.565	53%	0.526	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.7	126.7	175.9	-64.9	170	0	0	0	109.4	L32	L32-L34 HydrophobicContact CD2-CD1 4.09Å; L32-L34 HydrophobicContact CD2-CD2 4.08Å; L32-L34 HydrophobicContact CD2-CG 4.03Å; L32-L34 HydrophobicContact CG-CD2 4.27Å; L32-L34 HydrophobicContact CG-CG 4.18Å
35	T	49.6	Very low	59.4	Low	75 Å²	75	94.1 Å²	94.1	46%	0.46	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.2	170.6	-52.5	0	0	0	0	109.2
36	V	50	Low	59	Low	116 Å²	116	100.4 Å²	100.4	70%	0.703	56%	0.555	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-86.1	117.3	174.2	-178.3	0	0	0	0	108.3
37	I	52.1	Low	58.1	Low	97 Å²	97	97.9 Å²	97.9	50%	0.497	55%	0.548	S	S	.	.	P	Polyproline II helix	trans	-97.2	116.4	174.7	-56.5	174.1	0	0	0	107.8	V7 V39	V7-I37 HydrophobicContact CG2-CD1 4.04Å; I37-V39 PolarHBondContact O-N 3.35Å
38	S	53.8	Low	56.9	Low	115 Å²	115	97.9 Å²	97.9	80%	0.804	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-77.6	117.1	171.7	54.5	0	0	0	0	109.7
39	V	56.2	Low	55.9	Low	51 Å²	51	102.5 Å²	102.5	31%	0.309	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-87.4	159.9	170.4	-65.7	0	0	0	0	110.8	I37 E43 A44	I37-V39 PolarHBondContact O-N 3.35Å; V39-E43 HydrophobicContact CB-CB 4.17Å; V39-A44 HydrophobicContact CG2-CB 4.26Å
40	T	64.9	Low	54.6	Low	80 Å²	80	108.9 Å²	108.9	49%	0.491	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-70.1	154.3	175.7	61.2	0	0	0	0	111	Q42 E43 A44	T40-Q42 PolarHBondContact O-N 3.42Å; T40-E43 PolarHBondContact N-OE2 3.5Å; T40-E43 PolarHBondContact O-N 3.09Å; T40-E43 WeakPolarHBondContact OG1-CG 3.32Å; T40-E43 PolarHBondContact OG1-OE2 2.75Å; T40-A44 PolarHBondContact O-N 3.46Å
41	Q	56.8	Low	53.9	Low	135 Å²	135	109.1 Å²	109.1	63%	0.631	57%	0.574	S	S	*	*	H	α-helix	trans	-53.5	-39.8	178.4	-168.2	66.2	44.2	0	0	111.7	E43 A44 D45	Q41-E43 VanDerWaalsContact C-N 3.34Å; Q41-E43 PolarHBondContact O-N 3.2Å; Q41-A44 WeakPolarHBondContact O-CB 3.37Å; Q41-A44 PolarHBondContact O-N 3.15Å; Q41-D45 PolarHBondContact NE2-OD1 3.37Å; Q41-D45 WeakPolarHBondContact O-CB 3.15Å; Q41-D45 PolarHBondContact O-N 3.47Å; Q41-D45 VanDerWaalsContact O-OD1 3.13Å
42	Q	58.8	Low	53.3	Low	158 Å²	158	112.1 Å²	112.1	74%	0.738	58%	0.584	S	S	*	*	H	α-helix	trans	-63.9	-32.5	177	-91.2	-178.4	-10	0	0	114.7	T40 R46	T40-Q42 PolarHBondContact O-N 3.42Å; Q42-R46 WeakPolarHBondContact O-CG 3.37Å; Q42-R46 PolarHBondContact O-N 3.43Å
43	E	56.7	Low	52.7	Low	97 Å²	97	117.6 Å²	117.6	45%	0.453	61%	0.607	S	S	.	*	H	α-helix	trans	-79.2	-35	176.7	-73.1	166.9	145.1	0	0	111.1	V39 T40 Q41 R46 L47	V39-E43 HydrophobicContact CB-CB 4.17Å; T40-E43 PolarHBondContact N-OE2 3.5Å; T40-E43 PolarHBondContact O-N 3.09Å; T40-E43 WeakPolarHBondContact OG1-CG 3.32Å; T40-E43 PolarHBondContact OG1-OE2 2.75Å; Q41-E43 VanDerWaalsContact C-N 3.34Å; Q41-E43 PolarHBondContact O-N 3.2Å; E43-R46 PolarHBondContact O-N 2.88Å; E43-L47 WeakPolarHBondContact O-CG 3.34Å
44	A	58.4	Low	52	Low	4 Å²	4	117.4 Å²	117.4	3%	0.033	61%	0.609	C	S	.	*	H	α-helix	trans	-61.5	-48.3	170.5	0	0	0	0	0	111	V39 T40 Q41 R46 L47 E48	V39-A44 HydrophobicContact CG2-CB 4.26Å; T40-A44 PolarHBondContact O-N 3.46Å; Q41-A44 WeakPolarHBondContact O-CB 3.37Å; Q41-A44 PolarHBondContact O-N 3.15Å; A44-R46 PolarHBondContact O-N 2.98Å; A44-L47 PolarHBondContact O-N 3.3Å; A44-E48 PolarHBondContact O-N 2.95Å; A44-E48 VanDerWaalsContact O-N 3.15Å
45	D	61.1	Low	51.4	Low	85 Å²	85	116.6 Å²	116.6	46%	0.455	63%	0.627	S	S	.	*	H	α-helix	trans	-63.9	-25.2	-178.7	-59.6	-16.2	0	0	0	112.8	Q41 L47	Q41-D45 PolarHBondContact NE2-OD1 3.37Å; Q41-D45 WeakPolarHBondContact O-CB 3.15Å; Q41-D45 PolarHBondContact O-N 3.47Å; Q41-D45 VanDerWaalsContact O-OD1 3.13Å; D45-L47 VanDerWaalsContact C-N 3.33Å
46	R	59.4	Low	51.5	Low	221 Å²	221	121.9 Å²	121.9	83%	0.834	64%	0.64	S	S	*	*	H	α-helix	trans	-75.8	-20.9	174.8	-85.3	179.8	161.9	172.3	-2.4	113.8	Q42 E43 A44	Q42-R46 WeakPolarHBondContact O-CG 3.37Å; Q42-R46 PolarHBondContact O-N 3.43Å; E43-R46 PolarHBondContact O-N 2.88Å; A44-R46 PolarHBondContact O-N 2.98Å
47	L	53.5	Low	51.9	Low	100 Å²	100	121.5 Å²	121.5	52%	0.524	64%	0.642	S	S	.	*	H	α-helix	trans	-101.6	-12.4	-177.4	-67.3	167.8	0	0	0	112	P3 E43 A44 D45	P3-L47 HydrophobicContact CB-CD1 4.37Å; P3-L47 HydrophobicContact CG-CB 3.85Å; P3-L47 HydrophobicContact CG-CD1 3.58Å; P3-L47 HydrophobicContact CG-CG 4.36Å; E43-L47 WeakPolarHBondContact O-CG 3.34Å; A44-L47 PolarHBondContact O-N 3.3Å; D45-L47 VanDerWaalsContact C-N 3.33Å
48	E	48.6	Very low	53	Low	86 Å²	86	126.9 Å²	126.9	40%	0.402	66%	0.658	S	S	.	*	S	Bend	trans	-74	128.8	171.3	-70	-166.1	154.6	0	0	110.2	M1 A44 Q50	M1-E48 PolarHBondContact N-OE1 3.41Å; A44-E48 PolarHBondContact O-N 2.95Å; A44-E48 VanDerWaalsContact O-N 3.15Å; E48-Q50 PolarHBondContact O-N 3.11Å
49	P	41.3	Very low	54.4	Low	118 Å²	118	123.7 Å²	123.7	77%	0.766	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-60.2	130.1	176.1	-1.5	6.6	0	0	0	109.9	E51	P49-E51 PolarHBondContact O-N 2.91Å; P49-E51 VanDerWaalsContact O-N 3.14Å
50	Q	43.8	Very low	55.9	Low	195 Å²	195	124.1 Å²	124.1	91%	0.911	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-57.4	119	178.2	-70.9	-170.2	-65.7	0	0	110.4	E48 D52	E48-Q50 PolarHBondContact O-N 3.11Å; Q50-D52 PolarHBondContact O-N 2.68Å
51	E	48.9	Very low	57.2	Low	188 Å²	188	122.7 Å²	122.7	88%	0.879	62%	0.618	S	S	*	*			trans	-65.7	111.8	176.6	-69.8	-175.9	156.5	0	0	110.7	P49 Q53	P49-E51 PolarHBondContact O-N 2.91Å; P49-E51 VanDerWaalsContact O-N 3.14Å; E51-Q53 PolarHBondContact O-N 3.06Å
52	D	39.9	Very low	58.7	Low	156 Å²	156	120.4 Å²	120.4	83%	0.834	62%	0.617	S	S	*	*			trans	-71.3	118.8	162.2	-90.9	-29.7	0	0	0	109.1	Q50 S54	Q50-D52 PolarHBondContact O-N 2.68Å; D52-S54 PolarHBondContact O-N 2.75Å
53	Q	44	Very low	60.2	Low	199 Å²	199	116.2 Å²	116.2	93%	0.93	60%	0.599	S	S	*	*			trans	-60.5	90.9	175.9	-69.7	174.2	9.9	0	0	111.3	E51	E51-Q53 PolarHBondContact O-N 3.06Å
54	S	40.8	Very low	61.9	Low	81 Å²	81	118.5 Å²	118.5	57%	0.566	61%	0.608	S	S	*	*			trans	-144.6	126	155.8	60.4	0	0	0	0	108.5	D52 Y56	D52-S54 PolarHBondContact O-N 2.75Å; S54-Y56 PolarHBondContact O-N 3.32Å
55	G	41.7	Very low	63.2	Low	92 Å²	92	121.1 Å²	121.1	95%	0.948	62%	0.617	S	S	*	*			trans	-70.7	45.1	-170.5	0	0	0	0	0	115.5
56	Y	50.5	Low	64.3	Low	186 Å²	186	122.8 Å²	122.8	73%	0.729	64%	0.635	S	S	*	*	S	Bend	trans	-96.9	121.9	162.2	-71.5	-82.3	0	0	0	107.4	S54 Y58	S54-Y56 PolarHBondContact O-N 3.32Å; Y56-Y58 PolarHBondContact O-N 2.92Å
57	S	58.5	Low	65.6	Low	107 Å²	107	113.1 Å²	113.1	75%	0.748	60%	0.6	S	S	*	*			trans	-47.9	113.9	167.8	-176.5	0	0	0	0	108.2	I59	S57-I59 PolarHBondContact O-N 3.41Å
58	Y	74.9	Confident	67.3	Low	210 Å²	210	111.1 Å²	111.1	82%	0.824	59%	0.593	S	S	*	*			trans	-70.1	98	178.3	-179	-93.1	0	0	0	107.5	Y56 D60	Y56-Y58 PolarHBondContact O-N 2.92Å; Y58-D60 PolarHBondContact O-N 3.19Å
59	I	83.9	Confident	69.5	Low	48 Å²	48	107.3 Å²	107.3	25%	0.246	58%	0.575	C	S	.	*			trans	-80.7	118.5	176.8	-57.9	178	0	0	0	107.9	S57 Y61 F115 V155	S57-I59 PolarHBondContact O-N 3.41Å; I59-Y61 HydrophobicContact CB-CE1 3.91Å; I59-Y61 HydrophobicContact CB-CE2 4.26Å; I59-Y61 HydrophobicContact CG2-CD1 3.89Å; I59-Y61 HydrophobicContact CG2-CE1 3.34Å; I59-Y61 HydrophobicContact CG2-CE2 4.5Å; I59-Y61 WeakPolarHBondContact O-CD2 3.49Å; I59-Y61 WeakPolarHBondContact O-CE2 3.28Å; I59-Y61 PolarHBondContact O-N 3.02Å; I59-F115 HydrophobicContact CD1-CD1 3.86Å; I59-F115 HydrophobicContact CD1-CE1 4.25Å; I59-F115 HydrophobicContact CG2-CD1 4.38Å; I59-V155 HydrophobicContact CG2-CB 4.43Å; I59-V155 HydrophobicContact CG2-CG1 3.7Å; I59-V155 HydrophobicContact CG2-CG2 3.98Å
60	D	87.1	Confident	72.1	Confident	61 Å²	61	103.4 Å²	103.4	33%	0.326	55%	0.551	S	S	.	*			trans	-75.4	112.6	174.9	-176.2	9.9	0	0	0	111.1	Y58 S62	Y58-D60 PolarHBondContact O-N 3.19Å; D60-S62 WeakPolarHBondContact OD1-CB 3.28Å; D60-S62 PolarHBondContact OD1-N 3.32Å; D60-S62 PolarHBondContact OD1-OG 3.12Å; D60-S62 PolarHBondContact OD2-OG 2.71Å
61	Y	91.6	Very high	74.6	Confident	49 Å²	49	94.1 Å²	94.1	19%	0.192	51%	0.507	C	S	.	.			trans	-99.4	5.5	176.1	-54	-62.8	0	0	0	113.3	I59 F115 F118 V153 V155 I156	I59-Y61 HydrophobicContact CB-CE1 3.91Å; I59-Y61 HydrophobicContact CB-CE2 4.26Å; I59-Y61 HydrophobicContact CG2-CD1 3.89Å; I59-Y61 HydrophobicContact CG2-CE1 3.34Å; I59-Y61 HydrophobicContact CG2-CE2 4.5Å; I59-Y61 WeakPolarHBondContact O-CD2 3.49Å; I59-Y61 WeakPolarHBondContact O-CE2 3.28Å; I59-Y61 PolarHBondContact O-N 3.02Å; Y61-F115 HydrophobicContact CE1-CB 4.14Å; Y61-F115 AromaticContact CE1-CD1 3.93Å; Y61-F115 HydrophobicContact CE1-CD1 3.93Å; Y61-F115 HydrophobicContact CE1-CG 4.41Å; Y61-F118 HydrophobicContact CD1-CB 4.2Å; Y61-F118 HydrophobicContact CD1-CD2 4.02Å; Y61-F118 HydrophobicContact CD1-CG 4.41Å; Y61-F118 HydrophobicContact CD2-CB 4.46Å; Y61-F118 HydrophobicContact CD2-CD2 4.42Å; Y61-F118 HydrophobicContact CE1-CB 3.89Å; Y61-F118 HydrophobicContact CE2-CB 4.17Å; Y61-F118 HydrophobicContact CG-CB 4.47Å; Y61-F118 AromaticContact CG-CD2 3.94Å; Y61-F118 HydrophobicContact CG-CD2 3.94Å; Y61-V153 HydrophobicContact CD1-CG1 4.14Å; Y61-V155 HydrophobicContact CD1-CG1 3.99Å; Y61-V155 HydrophobicContact CE1-CG1 4.29Å; Y61-I156 HydrophobicContact CD1-CD1 4.33Å; Y61-I156 HydrophobicContact CE1-CD1 4.42Å
62	S	89.7	Confident	76.8	Confident	88 Å²	88	88.2 Å²	88.2	62%	0.615	49%	0.485	S	S	*	.			trans	-79.5	-26.9	-177.8	74.9	0	0	0	0	112.7	D60 K64	D60-S62 WeakPolarHBondContact OD1-CB 3.28Å; D60-S62 PolarHBondContact OD1-N 3.32Å; D60-S62 PolarHBondContact OD1-OG 3.12Å; D60-S62 PolarHBondContact OD2-OG 2.71Å; S62-K64 PolarHBondContact O-N 3.29Å
63	D	90.6	Very high	79.4	Confident	69 Å²	69	84.1 Å²	84.1	37%	0.369	46%	0.464	S	S	.	.			trans	-67.7	103.2	174.8	-170.1	-2.5	0	0	0	110.5	R154	D63-R154 HydrophobicContact CB-CB 4.3Å; D63-R154 PolarHBondContact O-N 3.02Å; D63-R154 WeakPolarHBondContact OD2-CD 3.34Å; D63-R154 IonicContact OD2-NH1 3.34Å; D63-R154 PolarHBondContact OD2-NH1 3.26Å
64	K	90.9	Very high	81.7	Confident	146 Å²	146	78.1 Å²	78.1	64%	0.635	43%	0.433	S	S	*	.	B	Isolated β-bridge	trans	-120.7	136.5	-176.3	-69.6	177.9	-175.5	175.3	0	111.2	S62 A152 V153	S62-K64 PolarHBondContact O-N 3.29Å; K64-A152 CarbonylContact C-O 3.46Å; K64-A152 WeakPolarHBondContact CA-O 3.14Å; K64-V153 HydrophobicContact CG-CG2 4.41Å
65	R	87.4	Confident	84	Confident	59 Å²	59	75.2 Å²	75.2	22%	0.223	42%	0.416	C	S	.	.			trans	-127.1	149.4	173	60.1	177.9	-179	-152.9	-1.4	111	L67 A152 E158	R65-L67 HydrophobicContact CG-CD2 4.35Å; R65-L67 HydrophobicContact CG-CG 4.09Å; R65-A152 PolarHBondContact N-O 3.25Å; R65-A152 VanDerWaalsContact O-CA 3.27Å; R65-A152 WeakPolarHBondContact O-CA 3.43Å; R65-E158 IonicContact CZ-OE1 3.99Å; R65-E158 IonicContact NH1-OE1 3.71Å; R65-E158 PolarHBondContact NH1-OE1 3.32Å; R65-E158 IonicContact NH2-OE1 2.66Å; R65-E158 PolarHBondContact NH2-OE1 3.09Å
66	S	83.9	Confident	86.2	Confident	119 Å²	119	75.8 Å²	75.8	83%	0.832	40%	0.396	S	S	*	.			trans	-88.5	112.3	169.7	-174.1	0	0	0	0	108.7
67	L	86	Confident	87.8	Confident	18 Å²	18	68.5 Å²	68.5	9%	0.094	37%	0.371	C	S	.	.			trans	-103.1	131.7	171.5	-67.6	-179.1	0	0	0	109.7	R65 I69 M91 C151 Y249 S250	R65-L67 HydrophobicContact CG-CD2 4.35Å; R65-L67 HydrophobicContact CG-CG 4.09Å; L67-I69 PolarHBondContact O-N 3.02Å; L67-M91 HydrophobicContact CB-CE 3.78Å; L67-M91 HydrophobicContact CB-SD 3.87Å; L67-M91 HydrophobicContact CD1-CE 3.92Å; L67-M91 HydrophobicContact CG-CE 4.34Å; L67-C151 HydrophobicContact CD1-CB 4.2Å; L67-Y249 HydrophobicContact CD1-CE2 4.29Å; L67-S250 WeakPolarHBondContact CD2-O 3.42Å
68	P	90.2	Very high	88.9	Confident	59 Å²	59	68.3 Å²	68.3	38%	0.383	36%	0.362	S	S	.	.			trans	-76.8	57.5	178.8	33.9	-37.3	0	0	0	111.7	M91 A92	P68-M91 HydrophobicContact CG-SD 3.99Å; P68-A92 HydrophobicContact CG-CB 3.75Å; P68-A92 PolarHBondContact O-N 3.02Å
69	I	93.5	Very high	88.9	Confident	6 Å²	6	62.5 Å²	62.5	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139.6	176.3	-167.1	157.6	0	0	0	109.8	L67 I89 H90 M91 L147 E148	L67-I69 PolarHBondContact O-N 3.02Å; I69-I89 HydrophobicContact CD1-CG2 4.23Å; I69-I89 HydrophobicContact CG1-CG2 4.26Å; I69-H90 CarbonylContact C-O 3.55Å; I69-H90 WeakPolarHBondContact CA-O 3.29Å; I69-M91 HydrophobicContact CB-CE 3.85Å; I69-M91 HydrophobicContact CB-SD 4.1Å; I69-M91 HydrophobicContact CD1-CE 4.16Å; I69-M91 HydrophobicContact CG1-CE 4.27Å; I69-L147 HydrophobicContact CD1-CB 3.97Å; I69-L147 HydrophobicContact CD1-CD1 4.03Å; I69-E148 HydrophobicContact CG2-CB 4.17Å; I69-E148 HydrophobicContact CG2-CG 3.58Å
70	S	95.5	Very high	88.5	Confident	36 Å²	36	67.9 Å²	67.9	25%	0.252	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158.9	179.8	52.9	0	0	0	0	111.2	H90 E144	S70-H90 PolarHBondContact N-O 3.04Å; S70-H90 PolarHBondContact O-N 2.97Å; S70-E144 WeakPolarHBondContact CA-OE2 3.5Å
71	I	97.3	Very high	88	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	39%	0.39	C	S	.	.			trans	-128	75.7	170.7	-52.6	-175.9	0	0	0	106.4	D73 F87 N88 I89 F104 R140 L143 E144 L147	I71-D73 VanDerWaalsContact C-N 3.25Å; I71-D73 PolarHBondContact O-N 3.26Å; I71-F87 HydrophobicContact CG2-CB 3.71Å; I71-F87 HydrophobicContact CG2-CD1 4.35Å; I71-F87 HydrophobicContact CG2-CG 4.49Å; I71-N88 WeakPolarHBondContact CA-O 3.43Å; I71-I89 HydrophobicContact CD1-CG1 4.33Å; I71-I89 HydrophobicContact CG1-CG1 4.24Å; I71-F104 HydrophobicContact CD1-CE1 4.01Å; I71-F104 HydrophobicContact CD1-CZ 3.95Å; I71-R140 HydrophobicContact CB-CG 4.17Å; I71-R140 HydrophobicContact CG2-CG 3.64Å; I71-R140 WeakPolarHBondContact O-CD 3.44Å; I71-R140 VanDerWaalsContact O-CG 3.26Å; I71-R140 WeakPolarHBondContact O-CG 3.48Å; I71-R140 PolarHBondContact O-NH1 2.84Å; I71-L143 HydrophobicContact CD1-CB 3.73Å; I71-E144 HydrophobicContact CB-CB 4.16Å; I71-E144 HydrophobicContact CD1-CB 4.23Å; I71-E144 HydrophobicContact CG1-CB 4.05Å; I71-E144 PolarHBondContact N-OE2 3.19Å; I71-L147 HydrophobicContact CD1-CD1 4.15Å
72	P	95.8	Very high	87.6	Confident	64 Å²	64	71.7 Å²	71.7	42%	0.416	41%	0.406	S	S	.	.			trans	-62.2	-31.3	-170.8	24	-35	0	0	0	113.5	N88 H90	P72-N88 WeakPolarHBondContact CD-O 3.42Å; P72-H90 VanDerWaalsContact CD-ND1 3.26Å; P72-H90 WeakPolarHBondContact CD-ND1 3.01Å; P72-H90 VanDerWaalsContact CG-CE1 3.46Å; P72-H90 WeakPolarHBondContact CG-CE1 3.45Å; P72-H90 WeakPolarHBondContact CG-ND1 3.39Å
73	D	94	Very high	87.3	Confident	70 Å²	70	76.8 Å²	76.8	37%	0.374	41%	0.412	S	S	.	.			trans	-150.2	-178.5	-174	59.7	54	0	0	0	112.8	I71 N88	I71-D73 VanDerWaalsContact C-N 3.25Å; I71-D73 PolarHBondContact O-N 3.26Å; D73-N88 PolarHBondContact O-N 3.03Å; D73-N88 WeakPolarHBondContact OD1-CB 3.47Å; D73-N88 PolarHBondContact OD1-ND2 3.33Å
74	Y	93	Very high	87.1	Confident	72 Å²	72	76.4 Å²	76.4	28%	0.282	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	150.3	171.9	66.5	-94.3	0	0	0	110	I85 V86 L136	Y74-I85 HydrophobicContact CD2-CG2 3.94Å; Y74-I85 HydrophobicContact CG-CG2 4.32Å; Y74-V86 CarbonylContact C-O 3.47Å; Y74-V86 WeakPolarHBondContact CA-O 3.33Å; Y74-V86 VanDerWaalsContact CB-O 3.24Å; Y74-V86 WeakPolarHBondContact CB-O 3.21Å; Y74-L136 HydrophobicContact CD1-CB 4.43Å; Y74-L136 HydrophobicContact CE1-CB 3.98Å; Y74-L136 HydrophobicContact CE2-CD1 3.86Å
75	G	89	Confident	87.1	Confident	21 Å²	21	72.2 Å²	72.2	22%	0.216	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	170.5	177.4	0	0	0	0	0	112.6	I85 V86	G75-I85 WeakPolarHBondContact O-CA 3.39Å; G75-V86 PolarHBondContact N-O 3.47Å; G75-V86 PolarHBondContact O-N 3.02Å
76	I	87.6	Confident	87.3	Confident	103 Å²	103	70.1 Å²	70.1	53%	0.528	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.7	170.9	-51.3	-176.5	0	0	0	107.9	R83 Y84 I85	I76-R83 HydrophobicContact CG2-CB 4.03Å; I76-R83 HydrophobicContact CG2-CG 4.09Å; I76-Y84 WeakPolarHBondContact CA-O 3.26Å; I76-I85 HydrophobicContact CD1-CD1 4.29Å; I76-I85 HydrophobicContact CG1-CD1 3.82Å
77	V	83.3	Confident	87.8	Confident	34 Å²	34	64.6 Å²	64.6	21%	0.206	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.2	175	179.5	0	0	0	0	108.7	Y84 V86	V77-Y84 PolarHBondContact N-O 3.08Å; V77-Y84 PolarHBondContact O-N 3.49Å; V77-V86 HydrophobicContact CB-CG1 4.4Å; V77-V86 HydrophobicContact CG2-CB 4.46Å; V77-V86 HydrophobicContact CG2-CG1 3.99Å; V77-V86 HydrophobicContact CG2-CG2 3.61Å
78	N	81.3	Confident	88.2	Confident	103 Å²	103	64.9 Å²	64.9	55%	0.551	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	115.6	171.6	-63.8	-73.5	0	0	0	108.4	E82 R83	N78-E82 CarbonylContact C-O 3.52Å; N78-E82 WeakPolarHBondContact CA-O 3.43Å; N78-R83 WeakPolarHBondContact OD1-CG 3.3Å; N78-R83 PolarHBondContact OD1-NE 2.92Å
79	R	75.2	Confident	88.4	Confident	87 Å²	87	62 Å²	62	33%	0.328	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124	175.9	-171.8	171	177.8	179	-7.1	108.8	G81 E82 Y84 D171 D172	R79-G81 PolarHBondContact O-N 2.9Å; R79-E82 PolarHBondContact N-O 2.93Å; R79-E82 PolarHBondContact O-N 3.17Å; R79-Y84 HydrophobicContact CB-CD2 4.24Å; R79-Y84 HydrophobicContact CB-CE2 4.04Å; R79-D171 IonicContact CZ-OD2 3.79Å; R79-D171 IonicContact NE-OD2 3.58Å; R79-D171 IonicContact NH2-OD2 2.63Å; R79-D171 PolarHBondContact NH2-OD2 2.97Å; R79-D172 IonicContact NH1-OD1 3.78Å; R79-D172 PolarHBondContact NH1-OD1 2.78Å; R79-D172 IonicContact NH1-OD2 3.44Å
80	N	76.5	Confident	88.4	Confident	162 Å²	162	63.1 Å²	63.1	87%	0.866	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	35.3	-177.2	-58.6	-16.3	0	0	0	114.1	E82	N80-E82 VanDerWaalsContact C-N 3.27Å; N80-E82 PolarHBondContact O-N 3Å
81	G	76.9	Confident	88.2	Confident	78 Å²	78	61.4 Å²	61.4	80%	0.804	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-4.5	-178.4	0	0	0	0	0	115.1	R79	R79-G81 PolarHBondContact O-N 2.9Å
82	E	81.3	Confident	87.8	Confident	111 Å²	111	62.3 Å²	62.3	52%	0.519	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	140.7	175.1	-67.3	-169.8	179.6	0	0	111.9	N78 R79 N80 Y84	N78-E82 CarbonylContact C-O 3.52Å; N78-E82 WeakPolarHBondContact CA-O 3.43Å; R79-E82 PolarHBondContact N-O 2.93Å; R79-E82 PolarHBondContact O-N 3.17Å; N80-E82 VanDerWaalsContact C-N 3.27Å; N80-E82 PolarHBondContact O-N 3Å; E82-Y84 HydrophobicContact CB-CE1 4.31Å; E82-Y84 HydrophobicContact CB-CE2 3.77Å; E82-Y84 PolarHBondContact OE2-OH 3.09Å
83	R	84.5	Confident	87.5	Confident	195 Å²	195	61.2 Å²	61.2	74%	0.736	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94	124.2	176.6	-77.3	175.8	-175.1	-173	5	110.5	I76 N78	I76-R83 HydrophobicContact CG2-CB 4.03Å; I76-R83 HydrophobicContact CG2-CG 4.09Å; N78-R83 WeakPolarHBondContact OD1-CG 3.3Å; N78-R83 PolarHBondContact OD1-NE 2.92Å
84	Y	86.4	Confident	87.3	Confident	61 Å²	61	58 Å²	58	24%	0.239	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	139.2	175.6	-56.6	-71.3	0	0	0	111.1	I76 V77 R79 E82 R100	I76-Y84 WeakPolarHBondContact CA-O 3.26Å; V77-Y84 PolarHBondContact N-O 3.08Å; V77-Y84 PolarHBondContact O-N 3.49Å; R79-Y84 HydrophobicContact CB-CD2 4.24Å; R79-Y84 HydrophobicContact CB-CE2 4.04Å; E82-Y84 HydrophobicContact CB-CE1 4.31Å; E82-Y84 HydrophobicContact CB-CE2 3.77Å; E82-Y84 PolarHBondContact OE2-OH 3.09Å; Y84-R100 VanDerWaalsContact CD1-NH1 3.3Å
85	I	90.6	Very high	87.3	Confident	58 Å²	58	55.9 Å²	55.9	30%	0.297	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	128.3	166.5	-54.5	-56.6	0	0	0	109	Y74 G75 I76 F87 R100 L136	Y74-I85 HydrophobicContact CD2-CG2 3.94Å; Y74-I85 HydrophobicContact CG-CG2 4.32Å; G75-I85 WeakPolarHBondContact O-CA 3.39Å; I76-I85 HydrophobicContact CD1-CD1 4.29Å; I76-I85 HydrophobicContact CG1-CD1 3.82Å; I85-F87 HydrophobicContact CG2-CE2 4.48Å; I85-F87 HydrophobicContact CG2-CZ 4.3Å; I85-R100 WeakPolarHBondContact O-CB 3.41Å; I85-L136 HydrophobicContact CG1-CD2 4.29Å; I85-L136 HydrophobicContact CG2-CD2 4.04Å
86	V	91.9	Very high	87.4	Confident	15 Å²	15	54.9 Å²	54.9	9%	0.091	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.1	173.6	-60.8	0	0	0	0	110	Y74 G75 V77 R99 R100	Y74-V86 CarbonylContact C-O 3.47Å; Y74-V86 WeakPolarHBondContact CA-O 3.33Å; Y74-V86 VanDerWaalsContact CB-O 3.24Å; Y74-V86 WeakPolarHBondContact CB-O 3.21Å; G75-V86 PolarHBondContact N-O 3.47Å; G75-V86 PolarHBondContact O-N 3.02Å; V77-V86 HydrophobicContact CB-CG1 4.4Å; V77-V86 HydrophobicContact CG2-CB 4.46Å; V77-V86 HydrophobicContact CG2-CG1 3.99Å; V77-V86 HydrophobicContact CG2-CG2 3.61Å; V86-R99 CarbonylContact C-O 3.54Å; V86-R99 WeakPolarHBondContact CA-O 3.28Å; V86-R100 HydrophobicContact CG1-CB 4.49Å
87	F	94.5	Very high	87.6	Confident	3 Å²	3	50 Å²	50	1%	0.013	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	126.5	178.5	-63.7	-80.1	0	0	0	108.1	I71 I85 I89 S98 R99 F104 R139 R140 L143	I71-F87 HydrophobicContact CG2-CB 3.71Å; I71-F87 HydrophobicContact CG2-CD1 4.35Å; I71-F87 HydrophobicContact CG2-CG 4.49Å; I85-F87 HydrophobicContact CG2-CE2 4.48Å; I85-F87 HydrophobicContact CG2-CZ 4.3Å; F87-I89 PolarHBondContact O-N 2.89Å; F87-S98 WeakPolarHBondContact O-CA 3.4Å; F87-R99 WeakPolarHBondContact CD2-O 3.47Å; F87-R99 PolarHBondContact N-O 3Å; F87-R99 PolarHBondContact O-N 3.4Å; F87-F104 HydrophobicContact CB-CE2 4.19Å; F87-F104 HydrophobicContact CB-CZ 4.22Å; F87-F104 HydrophobicContact CD2-CE2 4.16Å; F87-R139 HydrophobicContact CE2-CG 4.48Å; F87-R139 HydrophobicContact CZ-CB 4.42Å; F87-R139 HydrophobicContact CZ-CG 3.91Å; F87-R140 HydrophobicContact CD1-CB 3.92Å; F87-R140 HydrophobicContact CD1-CG 4.06Å; F87-R140 HydrophobicContact CE1-CB 3.83Å; F87-R140 HydrophobicContact CE1-CG 4.46Å; F87-L143 HydrophobicContact CD1-CD1 4.25Å; F87-L143 HydrophobicContact CD2-CD1 3.52Å; F87-L143 HydrophobicContact CE1-CD1 4.31Å; F87-L143 HydrophobicContact CE2-CD1 3.61Å; F87-L143 HydrophobicContact CG-CD1 3.87Å; F87-L143 HydrophobicContact CZ-CD1 4.01Å
88	N	93.3	Very high	88	Confident	24 Å²	24	49.3 Å²	49.3	13%	0.128	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110.6	-174.4	-66.7	-33.7	0	0	0	109.8	I71 P72 D73 H90 S98	I71-N88 WeakPolarHBondContact CA-O 3.43Å; P72-N88 WeakPolarHBondContact CD-O 3.42Å; D73-N88 PolarHBondContact O-N 3.03Å; D73-N88 WeakPolarHBondContact OD1-CB 3.47Å; D73-N88 PolarHBondContact OD1-ND2 3.33Å; N88-H90 PolarHBondContact O-ND1 3.39Å; N88-H90 VanDerWaalsContact O-ND1 3.08Å; N88-S98 WeakPolarHBondContact OD1-CB 3.23Å; N88-S98 PolarHBondContact OD1-OG 3.1Å
89	I	94.8	Very high	88.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	129.5	-175.2	-59.8	160.5	0	0	0	108.7	I69 I71 F87 L96 C97 R99 F104 L147 F165 L166	I69-I89 HydrophobicContact CD1-CG2 4.23Å; I69-I89 HydrophobicContact CG1-CG2 4.26Å; I71-I89 HydrophobicContact CD1-CG1 4.33Å; I71-I89 HydrophobicContact CG1-CG1 4.24Å; F87-I89 PolarHBondContact O-N 2.89Å; I89-L96 PolarHBondContact O-N 3.21Å; I89-C97 PolarHBondContact N-O 2.99Å; I89-R99 HydrophobicContact CD1-CB 4.08Å; I89-R99 HydrophobicContact CD1-CG 3.84Å; I89-F104 HydrophobicContact CD1-CE1 4.2Å; I89-F104 HydrophobicContact CD1-CZ 3.73Å; I89-F104 HydrophobicContact CG1-CZ 4.11Å; I89-L147 HydrophobicContact CD1-CD1 4.08Å; I89-L147 HydrophobicContact CG1-CD1 4.18Å; I89-L147 HydrophobicContact CG2-CD1 4.13Å; I89-F165 HydrophobicContact CD1-CE1 3.53Å; I89-F165 HydrophobicContact CD1-CZ 3.73Å; I89-L166 HydrophobicContact CG2-CD2 4.08Å
90	H	93.6	Very high	89.3	Confident	28 Å²	28	43.8 Å²	43.8	13%	0.13	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	149.8	-179.4	-65.5	70.3	0	0	0	111.3	I69 S70 P72 N88 R94 Q95	I69-H90 CarbonylContact C-O 3.55Å; I69-H90 WeakPolarHBondContact CA-O 3.29Å; S70-H90 PolarHBondContact N-O 3.04Å; S70-H90 PolarHBondContact O-N 2.97Å; P72-H90 VanDerWaalsContact CD-ND1 3.26Å; P72-H90 WeakPolarHBondContact CD-ND1 3.01Å; P72-H90 VanDerWaalsContact CG-CE1 3.46Å; P72-H90 WeakPolarHBondContact CG-CE1 3.45Å; P72-H90 WeakPolarHBondContact CG-ND1 3.39Å; N88-H90 PolarHBondContact O-ND1 3.39Å; N88-H90 VanDerWaalsContact O-ND1 3.08Å; H90-R94 CarbonylContact C-O 3.45Å; H90-R94 WeakPolarHBondContact CA-O 3.37Å; H90-R94 WeakPolarHBondContact CB-O 3.47Å; H90-Q95 VanDerWaalsContact CD2-CA 3.46Å; H90-Q95 WeakPolarHBondContact CD2-CA 3.38Å; H90-Q95 PolarHBondContact CD2-N 3.21Å
91	M	91.4	Very high	90.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	126.3	168.6	-178.5	72.3	72.6	0	0	110.4	L67 P68 I69 G93 R94 L96 Y249	L67-M91 HydrophobicContact CB-CE 3.78Å; L67-M91 HydrophobicContact CB-SD 3.87Å; L67-M91 HydrophobicContact CD1-CE 3.92Å; L67-M91 HydrophobicContact CG-CE 4.34Å; P68-M91 HydrophobicContact CG-SD 3.99Å; I69-M91 HydrophobicContact CB-CE 3.85Å; I69-M91 HydrophobicContact CB-SD 4.1Å; I69-M91 HydrophobicContact CD1-CE 4.16Å; I69-M91 HydrophobicContact CG1-CE 4.27Å; M91-G93 PolarHBondContact O-N 3.41Å; M91-R94 PolarHBondContact N-O 3.24Å; M91-R94 VanDerWaalsContact O-CB 3.29Å; M91-R94 WeakPolarHBondContact O-CB 3.34Å; M91-R94 PolarHBondContact O-N 3.19Å; M91-L96 HydrophobicContact CB-CD1 3.76Å; M91-L96 HydrophobicContact CB-CD2 4.23Å; M91-L96 HydrophobicContact CB-CG 4.1Å; M91-Y249 HydrophobicContact CE-CD2 3.6Å; M91-Y249 HydrophobicContact CE-CE2 3.98Å; M91-Y249 WeakPolarHBondContact CE-O 3.49Å; M91-Y249 WeakPolarHBondContact CG-O 3.47Å
92	A	89.6	Confident	90.9	Very high	20 Å²	20	40.4 Å²	40.4	17%	0.165	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	32.7	-177.2	0	0	0	0	0	112.2	P68 R94 A252 S253	P68-A92 HydrophobicContact CG-CB 3.75Å; P68-A92 PolarHBondContact O-N 3.02Å; A92-R94 VanDerWaalsContact C-N 3.31Å; A92-R94 PolarHBondContact O-N 3.46Å; A92-A252 WeakPolarHBondContact CB-O 3.35Å; A92-S253 WeakPolarHBondContact CB-O 3.44Å
93	G	89.1	Confident	91.5	Very high	40 Å²	40	37.5 Å²	37.5	41%	0.412	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	12.7	-176.3	0	0	0	0	0	115.7	M91 K181	M91-G93 PolarHBondContact O-N 3.41Å; G93-K181 PolarHBondContact O-NZ 3.3Å
94	R	90.5	Very high	92.1	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.008	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	124.9	168.5	-58.6	179.1	-75.2	157.3	-2.4	108.8	H90 M91 A92 L96 Y245 N248 T251 S253 S254	H90-R94 CarbonylContact C-O 3.45Å; H90-R94 WeakPolarHBondContact CA-O 3.37Å; H90-R94 WeakPolarHBondContact CB-O 3.47Å; M91-R94 PolarHBondContact N-O 3.24Å; M91-R94 VanDerWaalsContact O-CB 3.29Å; M91-R94 WeakPolarHBondContact O-CB 3.34Å; M91-R94 PolarHBondContact O-N 3.19Å; A92-R94 VanDerWaalsContact C-N 3.31Å; A92-R94 PolarHBondContact O-N 3.46Å; R94-L96 PolarHBondContact O-N 2.9Å; R94-Y245 HydrophobicContact CB-CD2 3.69Å; R94-Y245 HydrophobicContact CB-CE2 3.88Å; R94-Y245 HydrophobicContact CB-CG 4.39Å; R94-Y245 HydrophobicContact CG-CD2 3.92Å; R94-Y245 HydrophobicContact CG-CE2 3.69Å; R94-Y245 HydrophobicContact CG-CG 4.48Å; R94-Y245 PolarHBondContact NH1-O 2.97Å; R94-N248 PolarHBondContact NH1-O 2.9Å; R94-N248 PolarHBondContact NH2-O 2.78Å; R94-T251 PolarHBondContact NH2-O 2.68Å; R94-S253 PolarHBondContact NE-O 3.18Å; R94-S254 WeakPolarHBondContact CD-O 3.49Å; R94-S254 WeakPolarHBondContact CG-O 3.42Å
95	Q	91.7	Very high	92.6	Very high	29 Å²	29	26 Å²	26	14%	0.136	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	126	172.9	-168.6	177.5	-1.4	0	0	109.1	H90 S98 V178 H242	H90-Q95 VanDerWaalsContact CD2-CA 3.46Å; H90-Q95 WeakPolarHBondContact CD2-CA 3.38Å; H90-Q95 PolarHBondContact CD2-N 3.21Å; Q95-S98 PolarHBondContact NE2-OG 2.71Å; Q95-V178 HydrophobicContact CB-CG2 3.79Å; Q95-H242 PolarHBondContact O-NE2 3.25Å
96	L	91.3	Very high	92.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-50.5	179.1	-57.3	-178.5	0	0	0	111.2	I89 M91 R94 L166 H242 Y245 V246 Y249	I89-L96 PolarHBondContact O-N 3.21Å; M91-L96 HydrophobicContact CB-CD1 3.76Å; M91-L96 HydrophobicContact CB-CD2 4.23Å; M91-L96 HydrophobicContact CB-CG 4.1Å; R94-L96 PolarHBondContact O-N 2.9Å; L96-L166 HydrophobicContact CD1-CD1 4.16Å; L96-L166 HydrophobicContact CD1-CD2 4.07Å; L96-H242 PolarHBondContact O-CE1 3.46Å; L96-H242 PolarHBondContact O-NE2 3.46Å; L96-Y245 WeakPolarHBondContact CD2-O 3.37Å; L96-V246 HydrophobicContact CB-CG2 4.45Å; L96-V246 WeakPolarHBondContact O-CG2 3.45Å; L96-Y249 HydrophobicContact CD1-CD2 4.22Å; L96-Y249 HydrophobicContact CD1-CG 4.27Å
97	C	91.9	Very high	93.2	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.8	175.8	-176.2	66.2	0	0	0	0	112	I89 L166 D168	I89-C97 PolarHBondContact N-O 2.99Å; C97-L166 VanDerWaalsContact CB-O 3.27Å; C97-L166 WeakPolarHBondContact CB-O 3.38Å; C97-D168 VanDerWaalsContact CB-OD1 3.22Å; C97-D168 WeakPolarHBondContact CB-OD1 3.34Å
98	S	91.2	Very high	93.3	Very high	19 Å²	19	28.5 Å²	28.5	13%	0.133	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	129	173.5	-58	0	0	0	0	109.5	F87 N88 Q95 D168	F87-S98 WeakPolarHBondContact O-CA 3.4Å; N88-S98 WeakPolarHBondContact OD1-CB 3.23Å; N88-S98 PolarHBondContact OD1-OG 3.1Å; Q95-S98 PolarHBondContact NE2-OG 2.71Å; S98-D168 PolarHBondContact N-OD1 3.41Å
99	R	92.6	Very high	93.5	Very high	6 Å²	6	31 Å²	31	2%	0.023	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.5	-173.8	-67.3	-67.8	178.7	-98.3	-0.9	113.4	V86 F87 I89 E103 F104 F165 T167 D168	V86-R99 CarbonylContact C-O 3.54Å; V86-R99 WeakPolarHBondContact CA-O 3.28Å; F87-R99 WeakPolarHBondContact CD2-O 3.47Å; F87-R99 PolarHBondContact N-O 3Å; F87-R99 PolarHBondContact O-N 3.4Å; I89-R99 HydrophobicContact CD1-CB 4.08Å; I89-R99 HydrophobicContact CD1-CG 3.84Å; R99-E103 WeakPolarHBondContact CA-OE2 3.13Å; R99-E103 HydrophobicContact CB-CB 4.44Å; R99-E103 VanDerWaalsContact CD-CD 3.46Å; R99-E103 WeakPolarHBondContact CD-OE2 3.29Å; R99-F104 HydrophobicContact CB-CD2 4.05Å; R99-F104 HydrophobicContact CB-CE2 3.47Å; R99-F104 VanDerWaalsContact CB-CE2 3.47Å; R99-F104 HydrophobicContact CB-CZ 4.13Å; R99-F165 HydrophobicContact CB-CE2 4.05Å; R99-F165 HydrophobicContact CB-CZ 3.99Å; R99-F165 HydrophobicContact CG-CD2 4.33Å; R99-F165 HydrophobicContact CG-CE1 4.35Å; R99-F165 HydrophobicContact CG-CE2 3.66Å; R99-F165 HydrophobicContact CG-CZ 3.68Å; R99-F165 PolarHBondContact NE-O 3.41Å; R99-F165 PolarHBondContact NH2-O 3.3Å; R99-T167 PolarHBondContact NH2-O 2.85Å; R99-D168 IonicContact CZ-OD1 2.78Å; R99-D168 IonicContact NH1-OD1 3.29Å; R99-D168 PolarHBondContact NH1-OD1 2.8Å; R99-D168 IonicContact NH2-OD1 3.81Å
100	R	92.1	Very high	93.6	Very high	69 Å²	69	35.1 Å²	35.1	26%	0.26	19%	0.186	S	C	.	.			trans	-76.1	152.7	167.3	63.3	-179.9	-66	165.9	3.6	110	Y84 I85 V86 R102 E103 F104	Y84-R100 VanDerWaalsContact CD1-NH1 3.3Å; I85-R100 WeakPolarHBondContact O-CB 3.41Å; V86-R100 HydrophobicContact CG1-CB 4.49Å; R100-R102 HydrophobicContact CG-CB 4.35Å; R100-R102 PolarHBondContact O-N 3.03Å; R100-E103 HydrophobicContact CG-CG 3.75Å; R100-E103 VanDerWaalsContact CG-OE2 3.24Å; R100-E103 WeakPolarHBondContact CG-OE2 3.3Å; R100-E103 PolarHBondContact N-OE2 3.16Å; R100-E103 WeakPolarHBondContact O-CB 3.32Å; R100-E103 PolarHBondContact O-N 2.92Å; R100-F104 WeakPolarHBondContact O-CD2 3.34Å
101	Y	94.3	Very high	93.8	Very high	31 Å²	31	33.8 Å²	33.8	12%	0.122	18%	0.18	C	C	.	.	H	α-helix	trans	-49.1	-36.6	178.9	171.5	-86.8	0	0	0	114.4	E103 F104 A105 P124 K126 R139 L143	Y101-E103 PolarHBondContact O-N 3.29Å; Y101-F104 WeakPolarHBondContact O-CB 3.27Å; Y101-F104 PolarHBondContact O-N 3.49Å; Y101-A105 HydrophobicContact CE1-CB 4.18Å; Y101-A105 PolarHBondContact O-N 2.72Å; Y101-A105 VanDerWaalsContact O-N 3.13Å; Y101-P124 HydrophobicContact CE2-CB 4.48Å; Y101-P124 WeakPolarHBondContact CE2-O 3.34Å; Y101-P124 PolarHBondContact OH-O 3.25Å; Y101-K126 HydrophobicContact CD1-CG 4.19Å; Y101-K126 HydrophobicContact CE1-CB 4.47Å; Y101-K126 HydrophobicContact CE1-CD 4.1Å; Y101-K126 HydrophobicContact CE1-CG 3.27Å; Y101-R139 HydrophobicContact CD2-CG 4.28Å; Y101-L143 HydrophobicContact CD2-CD1 4.47Å; Y101-L143 HydrophobicContact CD2-CD2 4.21Å; Y101-L143 HydrophobicContact CE2-CD2 4.44Å
102	R	92.7	Very high	94	Very high	138 Å²	138	40.9 Å²	40.9	52%	0.521	21%	0.207	S	C	.	.	H	α-helix	trans	-60.1	-34.1	-180	-175.3	172.4	68.3	169	0.8	112	R100 A105 N106	R100-R102 HydrophobicContact CG-CB 4.35Å; R100-R102 PolarHBondContact O-N 3.03Å; R102-A105 PolarHBondContact O-N 3.21Å; R102-N106 VanDerWaalsContact O-CG 3.23Å; R102-N106 PolarHBondContact O-N 3.31Å; R102-N106 PolarHBondContact O-OD1 2.92Å
103	E	94.6	Very high	94.3	Very high	50 Å²	50	48.3 Å²	48.3	23%	0.234	24%	0.235	C	C	.	.	H	α-helix	trans	-71.5	-38.9	-179.6	-63.4	168.2	130.5	0	0	111.1	R99 R100 Y101 A105 N106 L107 F165	R99-E103 WeakPolarHBondContact CA-OE2 3.13Å; R99-E103 HydrophobicContact CB-CB 4.44Å; R99-E103 VanDerWaalsContact CD-CD 3.46Å; R99-E103 WeakPolarHBondContact CD-OE2 3.29Å; R100-E103 HydrophobicContact CG-CG 3.75Å; R100-E103 VanDerWaalsContact CG-OE2 3.24Å; R100-E103 WeakPolarHBondContact CG-OE2 3.3Å; R100-E103 PolarHBondContact N-OE2 3.16Å; R100-E103 WeakPolarHBondContact O-CB 3.32Å; R100-E103 PolarHBondContact O-N 2.92Å; Y101-E103 PolarHBondContact O-N 3.29Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 2.8Å; E103-N106 PolarHBondContact O-N 2.92Å; E103-L107 PolarHBondContact O-N 3.37Å; E103-F165 HydrophobicContact CB-CE2 4.09Å
104	F	96.9	Very high	94.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-59.5	-40.6	170.1	-69	-100	0	0	0	111.9	I71 F87 I89 R99 R100 Y101 L107 H108 L123 L143 L147 F165	I71-F104 HydrophobicContact CD1-CE1 4.01Å; I71-F104 HydrophobicContact CD1-CZ 3.95Å; F87-F104 HydrophobicContact CB-CE2 4.19Å; F87-F104 HydrophobicContact CB-CZ 4.22Å; F87-F104 HydrophobicContact CD2-CE2 4.16Å; I89-F104 HydrophobicContact CD1-CE1 4.2Å; I89-F104 HydrophobicContact CD1-CZ 3.73Å; I89-F104 HydrophobicContact CG1-CZ 4.11Å; R99-F104 HydrophobicContact CB-CD2 4.05Å; R99-F104 HydrophobicContact CB-CE2 3.47Å; R99-F104 VanDerWaalsContact CB-CE2 3.47Å; R99-F104 HydrophobicContact CB-CZ 4.13Å; R100-F104 WeakPolarHBondContact O-CD2 3.34Å; Y101-F104 WeakPolarHBondContact O-CB 3.27Å; Y101-F104 PolarHBondContact O-N 3.49Å; F104-L107 PolarHBondContact O-N 3.44Å; F104-H108 WeakPolarHBondContact O-CB 3.28Å; F104-H108 PolarHBondContact O-N 2.89Å; F104-L123 HydrophobicContact CB-CD1 4.33Å; F104-L143 HydrophobicContact CB-CD2 3.93Å; F104-L143 HydrophobicContact CD1-CB 4.31Å; F104-L143 HydrophobicContact CD1-CD1 4.46Å; F104-L143 HydrophobicContact CD1-CD2 3.74Å; F104-L143 HydrophobicContact CD1-CG 4.39Å; F104-L143 HydrophobicContact CD2-CD1 4.09Å; F104-L143 HydrophobicContact CD2-CD2 4.33Å; F104-L143 HydrophobicContact CE1-CB 3.97Å; F104-L143 HydrophobicContact CE1-CD1 4.32Å; F104-L143 HydrophobicContact CE1-CD2 4.24Å; F104-L143 HydrophobicContact CE1-CG 4.4Å; F104-L143 HydrophobicContact CE2-CD1 3.96Å; F104-L143 HydrophobicContact CG-CD1 4.33Å; F104-L143 HydrophobicContact CG-CD2 3.78Å; F104-L143 HydrophobicContact CZ-CB 4.35Å; F104-L143 HydrophobicContact CZ-CD1 4.08Å; F104-L147 HydrophobicContact CD1-CG 4.43Å; F104-L147 HydrophobicContact CE1-CD1 3.7Å; F104-L147 HydrophobicContact CE1-CD2 4.42Å; F104-L147 HydrophobicContact CE1-CG 3.99Å; F104-L147 HydrophobicContact CZ-CD1 4.5Å; F104-F165 HydrophobicContact CD1-CE1 4.47Å; F104-F165 HydrophobicContact CD1-CE2 4.4Å; F104-F165 AromaticContact CD1-CZ 3.66Å; F104-F165 HydrophobicContact CD1-CZ 3.66Å; F104-F165 HydrophobicContact CD2-CE2 4.34Å; F104-F165 HydrophobicContact CD2-CZ 4.08Å; F104-F165 HydrophobicContact CE1-CE1 4.31Å; F104-F165 AromaticContact CE1-CZ 3.71Å; F104-F165 HydrophobicContact CE1-CZ 3.71Å; F104-F165 HydrophobicContact CE2-CZ 4.09Å; F104-F165 HydrophobicContact CG-CE2 4.2Å; F104-F165 AromaticContact CG-CZ 3.88Å; F104-F165 HydrophobicContact CG-CZ 3.88Å; F104-F165 AromaticContact CZ-CZ 3.92Å; F104-F165 HydrophobicContact CZ-CZ 3.92Å
105	A	96.5	Very high	94.8	Very high	13 Å²	13	51 Å²	51	11%	0.107	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-35.9	177.3	0	0	0	0	0	112.7	Y101 R102 E103 S109 L123	Y101-A105 HydrophobicContact CE1-CB 4.18Å; Y101-A105 PolarHBondContact O-N 2.72Å; Y101-A105 VanDerWaalsContact O-N 3.13Å; R102-A105 PolarHBondContact O-N 3.21Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 2.8Å; A105-S109 PolarHBondContact O-N 3.17Å; A105-S109 VanDerWaalsContact O-N 3.09Å; A105-S109 PolarHBondContact O-OG 3.33Å; A105-L123 HydrophobicContact CB-CD2 3.98Å
106	N	96.7	Very high	94.8	Very high	95 Å²	95	54.2 Å²	54.2	51%	0.508	26%	0.263	S	S	.	.	H	α-helix	trans	-66.4	-48.7	173.6	-67.5	-7.2	0	0	0	110.5	R102 E103 H108 S109 L110	R102-N106 VanDerWaalsContact O-CG 3.23Å; R102-N106 PolarHBondContact O-N 3.31Å; R102-N106 PolarHBondContact O-OD1 2.92Å; E103-N106 PolarHBondContact O-N 2.92Å; N106-H108 PolarHBondContact O-N 3.31Å; N106-S109 PolarHBondContact O-N 3.4Å; N106-S109 VanDerWaalsContact O-N 3.12Å; N106-L110 PolarHBondContact O-N 3.35Å
107	L	97.4	Very high	94.8	Very high	8 Å²	8	57 Å²	57	4%	0.042	29%	0.292	C	S	.	.	H	α-helix	trans	-54.3	-51.5	174.6	174.7	67.6	0	0	0	110.7	E103 F104 S109 L110 L111 L147 A161 V162 F165	E103-L107 PolarHBondContact O-N 3.37Å; F104-L107 PolarHBondContact O-N 3.44Å; L107-S109 VanDerWaalsContact C-N 3.25Å; L107-S109 PolarHBondContact O-N 3.14Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 3.35Å; L107-L110 VanDerWaalsContact O-N 3.11Å; L107-L111 HydrophobicContact CD1-CD1 3.8Å; L107-L111 HydrophobicContact CD1-CD2 4.19Å; L107-L111 HydrophobicContact CD1-CG 3.77Å; L107-L111 HydrophobicContact CD2-CD1 4.25Å; L107-L111 HydrophobicContact CG-CD1 3.76Å; L107-L111 HydrophobicContact CG-CG 4.1Å; L107-L111 WeakPolarHBondContact O-CG 3.35Å; L107-L111 PolarHBondContact O-N 3.03Å; L107-L147 HydrophobicContact CD2-CD2 4.32Å; L107-A161 HydrophobicContact CD1-CB 4.25Å; L107-A161 WeakPolarHBondContact CD1-O 3.37Å; L107-V162 HydrophobicContact CD1-CG2 4.43Å; L107-F165 HydrophobicContact CB-CD2 3.95Å; L107-F165 HydrophobicContact CB-CE2 4.4Å; L107-F165 HydrophobicContact CB-CG 4.32Å; L107-F165 HydrophobicContact CD1-CB 3.96Å; L107-F165 HydrophobicContact CD1-CG 4.36Å; L107-F165 HydrophobicContact CD2-CB 4.09Å; L107-F165 HydrophobicContact CD2-CD1 3.66Å; L107-F165 HydrophobicContact CD2-CD2 3.96Å; L107-F165 HydrophobicContact CD2-CE1 4Å; L107-F165 HydrophobicContact CD2-CE2 4.28Å; L107-F165 HydrophobicContact CD2-CG 3.62Å; L107-F165 HydrophobicContact CD2-CZ 4.3Å; L107-F165 HydrophobicContact CG-CB 4.43Å; L107-F165 HydrophobicContact CG-CD2 4.42Å; L107-F165 HydrophobicContact CG-CG 4.3Å
108	H	97.6	Very high	94.9	Very high	27 Å²	27	58.8 Å²	58.8	13%	0.125	30%	0.3	C	S	.	.	H	α-helix	trans	-55.2	-41.7	178.2	-179.2	68.7	0	0	0	112.7	F104 N106 R112 L123 Y146	F104-H108 WeakPolarHBondContact O-CB 3.28Å; F104-H108 PolarHBondContact O-N 2.89Å; N106-H108 PolarHBondContact O-N 3.31Å; H108-R112 WeakPolarHBondContact NE2-CD 3.28Å; H108-R112 WeakPolarHBondContact O-CB 3.42Å; H108-R112 WeakPolarHBondContact O-CG 3.29Å; H108-R112 PolarHBondContact O-N 3.29Å; H108-L123 HydrophobicContact CB-CD2 4.02Å; H108-Y146 WeakPolarHBondContact CA-OH 3.26Å; H108-Y146 WeakPolarHBondContact CB-OH 2.95Å; H108-Y146 AromaticContact CE1-CE2 3.99Å; H108-Y146 AromaticContact ND1-CE2 3.34Å; H108-Y146 VanDerWaalsContact ND1-CE2 3.34Å; H108-Y146 WeakPolarHBondContact ND1-CE2 3.45Å; H108-Y146 AromaticContact ND1-CZ 3.45Å; H108-Y146 PolarHBondContact ND1-OH 3.3Å
109	S	96.9	Very high	95	Very high	76 Å²	76	65 Å²	65	53%	0.531	33%	0.332	S	S	.	.	H	α-helix	trans	-68.3	-39.1	179.4	-55.3	0	0	0	0	111.9	A105 N106 L107 K113	A105-S109 PolarHBondContact O-N 3.17Å; A105-S109 VanDerWaalsContact O-N 3.09Å; A105-S109 PolarHBondContact O-OG 3.33Å; N106-S109 PolarHBondContact O-N 3.4Å; N106-S109 VanDerWaalsContact O-N 3.12Å; L107-S109 VanDerWaalsContact C-N 3.25Å; L107-S109 PolarHBondContact O-N 3.14Å; S109-K113 PolarHBondContact O-N 3.09Å
110	L	97.4	Very high	95.1	Very high	86 Å²	86	65.5 Å²	65.5	45%	0.45	33%	0.334	S	S	.	.	H	α-helix	trans	-65.1	-51.4	176.2	-176.7	59.7	0	0	0	110.9	N106 L107 R112 K113 E114 A161	N106-L110 PolarHBondContact O-N 3.35Å; L107-L110 WeakPolarHBondContact O-CB 3.5Å; L107-L110 PolarHBondContact O-N 3.35Å; L107-L110 VanDerWaalsContact O-N 3.11Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 3.32Å; L110-K113 WeakPolarHBondContact O-CB 3.3Å; L110-K113 PolarHBondContact O-N 3.34Å; L110-E114 PolarHBondContact O-N 3.2Å; L110-A161 HydrophobicContact CD2-CB 3.49Å; L110-A161 VanDerWaalsContact CD2-CB 3.49Å; L110-A161 HydrophobicContact CG-CB 3.99Å
111	L	97.4	Very high	95.3	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-37.4	179.7	-65.5	180	0	0	0	112.4	L107 K113 E114 F115 F120 V150 I156 A161 V162	L107-L111 HydrophobicContact CD1-CD1 3.8Å; L107-L111 HydrophobicContact CD1-CD2 4.19Å; L107-L111 HydrophobicContact CD1-CG 3.77Å; L107-L111 HydrophobicContact CD2-CD1 4.25Å; L107-L111 HydrophobicContact CG-CD1 3.76Å; L107-L111 HydrophobicContact CG-CG 4.1Å; L107-L111 WeakPolarHBondContact O-CG 3.35Å; L107-L111 PolarHBondContact O-N 3.03Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 2.95Å; L111-E114 PolarHBondContact O-N 3.19Å; L111-F115 HydrophobicContact CB-CD2 4.43Å; L111-F115 HydrophobicContact CD2-CD2 4.06Å; L111-F115 HydrophobicContact CD2-CE2 3.81Å; L111-F115 WeakPolarHBondContact O-CB 3.49Å; L111-F115 WeakPolarHBondContact O-CD2 3.47Å; L111-F115 PolarHBondContact O-N 2.72Å; L111-F120 HydrophobicContact CB-CE1 3.58Å; L111-F120 HydrophobicContact CB-CZ 3.55Å; L111-F120 HydrophobicContact CD1-CE1 4.1Å; L111-F120 HydrophobicContact CG-CE1 4.48Å; L111-F120 WeakPolarHBondContact O-CE2 3.49Å; L111-F120 WeakPolarHBondContact O-CZ 3.43Å; L111-V150 HydrophobicContact CD1-CG1 3.65Å; L111-I156 HydrophobicContact CD1-CG2 4.17Å; L111-I156 HydrophobicContact CD2-CG2 4.11Å; L111-A161 HydrophobicContact CD2-CB 3.77Å; L111-V162 HydrophobicContact CD1-CG2 4.31Å; L111-V162 HydrophobicContact CD2-CG2 4.18Å
112	R	96.3	Very high	95.3	Very high	149 Å²	149	71.5 Å²	71.5	56%	0.562	37%	0.365	S	S	*	.	H	α-helix	trans	-66.1	-29.7	174.9	-79	-168.1	79.8	150.1	8	113.7	H108 L110 F120	H108-R112 WeakPolarHBondContact NE2-CD 3.28Å; H108-R112 WeakPolarHBondContact O-CB 3.42Å; H108-R112 WeakPolarHBondContact O-CG 3.29Å; H108-R112 PolarHBondContact O-N 3.29Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 3.32Å; R112-F120 HydrophobicContact CB-CD2 4.47Å; R112-F120 HydrophobicContact CB-CE2 4.47Å; R112-F120 HydrophobicContact CG-CB 4.41Å; R112-F120 HydrophobicContact CG-CD2 3.53Å; R112-F120 HydrophobicContact CG-CE2 3.95Å; R112-F120 HydrophobicContact CG-CG 3.98Å
113	K	95.4	Very high	95.4	Very high	177 Å²	177	66.3 Å²	66.3	77%	0.77	35%	0.347	S	S	*	.	H	α-helix	trans	-74.4	-42.8	176.1	-175.4	-174.3	175.4	-170	0	110.5	S109 L110 L111	S109-K113 PolarHBondContact O-N 3.09Å; L110-K113 WeakPolarHBondContact O-CB 3.3Å; L110-K113 PolarHBondContact O-N 3.34Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 2.95Å
114	E	95.4	Very high	95.3	Very high	90 Å²	90	65.2 Å²	65.2	42%	0.421	34%	0.344	S	S	.	.	H	α-helix	trans	-73.7	-47.5	-177.6	-168.5	178.7	167.1	0	0	112.2	L110 L111	L110-E114 PolarHBondContact O-N 3.2Å; L111-E114 PolarHBondContact O-N 3.19Å
115	F	95.3	Very high	94.9	Very high	7 Å²	7	67.9 Å²	67.9	3%	0.031	37%	0.372	C	S	.	.			trans	-108.7	57.8	-176.9	-53.5	-77.2	0	0	0	111.3	I59 Y61 L111 G117 F118 F120 V155 I156	I59-F115 HydrophobicContact CD1-CD1 3.86Å; I59-F115 HydrophobicContact CD1-CE1 4.25Å; I59-F115 HydrophobicContact CG2-CD1 4.38Å; Y61-F115 HydrophobicContact CE1-CB 4.14Å; Y61-F115 AromaticContact CE1-CD1 3.93Å; Y61-F115 HydrophobicContact CE1-CD1 3.93Å; Y61-F115 HydrophobicContact CE1-CG 4.41Å; L111-F115 HydrophobicContact CB-CD2 4.43Å; L111-F115 HydrophobicContact CD2-CD2 4.06Å; L111-F115 HydrophobicContact CD2-CE2 3.81Å; L111-F115 WeakPolarHBondContact O-CB 3.49Å; L111-F115 WeakPolarHBondContact O-CD2 3.47Å; L111-F115 PolarHBondContact O-N 2.72Å; F115-G117 PolarHBondContact O-N 3.41Å; F115-G117 VanDerWaalsContact O-N 3.11Å; F115-F118 HydrophobicContact CB-CB 4.1Å; F115-F118 WeakPolarHBondContact O-CB 3.46Å; F115-F118 PolarHBondContact O-N 3.01Å; F115-F120 HydrophobicContact CB-CE2 4.07Å; F115-F120 HydrophobicContact CB-CZ 3.93Å; F115-F120 HydrophobicContact CD2-CZ 4.34Å; F115-F120 WeakPolarHBondContact O-CE2 3.41Å; F115-V155 HydrophobicContact CE1-CG2 4.29Å; F115-I156 HydrophobicContact CB-CD1 4.48Å; F115-I156 HydrophobicContact CD1-CG1 4.11Å; F115-I156 HydrophobicContact CD2-CG1 4.06Å; F115-I156 HydrophobicContact CD2-CG2 4.31Å; F115-I156 HydrophobicContact CE1-CG1 4.28Å; F115-I156 HydrophobicContact CE2-CB 4.47Å; F115-I156 HydrophobicContact CE2-CG1 4.25Å; F115-I156 HydrophobicContact CE2-CG2 4.24Å; F115-I156 HydrophobicContact CG-CD1 4.36Å; F115-I156 HydrophobicContact CG-CG1 3.99Å; F115-I156 HydrophobicContact CZ-CG1 4.36Å
116	S	91.1	Very high	94.3	Very high	97 Å²	97	74.2 Å²	74.2	68%	0.678	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.4	-174.2	62.7	0	0	0	0	114.9	F118	S116-F118 VanDerWaalsContact C-N 3.35Å
117	G	90.4	Very high	93.5	Very high	60 Å²	60	76.4 Å²	76.4	62%	0.619	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-11.3	175.4	0	0	0	0	0	114.6	F115	F115-G117 PolarHBondContact O-N 3.41Å; F115-G117 VanDerWaalsContact O-N 3.11Å
118	F	93.9	Very high	92.5	Very high	37 Å²	37	81.2 Å²	81.2	16%	0.162	43%	0.43	C	S	.	.	S	Bend	trans	-86.8	131.1	179.5	-175	-111.3	0	0	0	111.8	Y61 F115 S116 F120 V153 I156	Y61-F118 HydrophobicContact CD1-CB 4.2Å; Y61-F118 HydrophobicContact CD1-CD2 4.02Å; Y61-F118 HydrophobicContact CD1-CG 4.41Å; Y61-F118 HydrophobicContact CD2-CB 4.46Å; Y61-F118 HydrophobicContact CD2-CD2 4.42Å; Y61-F118 HydrophobicContact CE1-CB 3.89Å; Y61-F118 HydrophobicContact CE2-CB 4.17Å; Y61-F118 HydrophobicContact CG-CB 4.47Å; Y61-F118 AromaticContact CG-CD2 3.94Å; Y61-F118 HydrophobicContact CG-CD2 3.94Å; F115-F118 HydrophobicContact CB-CB 4.1Å; F115-F118 WeakPolarHBondContact O-CB 3.46Å; F115-F118 PolarHBondContact O-N 3.01Å; S116-F118 VanDerWaalsContact C-N 3.35Å; F118-F120 HydrophobicContact CB-CD2 4.33Å; F118-F120 HydrophobicContact CB-CE2 3.92Å; F118-F120 HydrophobicContact CB-CZ 4.34Å; F118-F120 HydrophobicContact CD1-CB 4.45Å; F118-F120 AromaticContact CD1-CD1 3.68Å; F118-F120 HydrophobicContact CD1-CD1 3.68Å; F118-F120 AromaticContact CD1-CD2 3.67Å; F118-F120 HydrophobicContact CD1-CD2 3.67Å; F118-F120 AromaticContact CD1-CE1 3.64Å; F118-F120 HydrophobicContact CD1-CE1 3.64Å; F118-F120 AromaticContact CD1-CE2 3.67Å; F118-F120 HydrophobicContact CD1-CE2 3.67Å; F118-F120 AromaticContact CD1-CG 3.68Å; F118-F120 HydrophobicContact CD1-CG 3.68Å; F118-F120 AromaticContact CD1-CZ 3.64Å; F118-F120 HydrophobicContact CD1-CZ 3.64Å; F118-F120 AromaticContact CE1-CD1 3.88Å; F118-F120 HydrophobicContact CE1-CD1 3.88Å; F118-F120 HydrophobicContact CE1-CE1 4.05Å; F118-F120 HydrophobicContact CE1-CG 4.14Å; F118-F120 HydrophobicContact CE1-CZ 4.48Å; F118-F120 HydrophobicContact CG-CD2 4.47Å; F118-F120 HydrophobicContact CG-CE2 4.29Å; F118-F120 HydrophobicContact CG-CZ 4.44Å; F118-F120 VanDerWaalsContact O-CD2 3.27Å; F118-F120 WeakPolarHBondContact O-CD2 3.35Å; F118-F120 PolarHBondContact O-N 3.05Å; F118-F120 VanDerWaalsContact O-N 3.09Å; F118-V153 HydrophobicContact CE2-CG2 3.65Å; F118-V153 HydrophobicContact CZ-CG2 3.75Å; F118-I156 HydrophobicContact CB-CD1 4.13Å; F118-I156 HydrophobicContact CD1-CD1 3.45Å; F118-I156 VanDerWaalsContact CD1-CD1 3.45Å; F118-I156 HydrophobicContact CD2-CD1 3.99Å; F118-I156 HydrophobicContact CE1-CD1 3.74Å; F118-I156 HydrophobicContact CE2-CD1 4.26Å; F118-I156 HydrophobicContact CG-CD1 3.58Å; F118-I156 HydrophobicContact CZ-CD1 4.14Å
119	N	94.1	Very high	91.8	Very high	149 Å²	149	87 Å²	87	80%	0.797	46%	0.455	S	S	*	.			trans	-82.7	87.8	175.3	-171.6	15.6	0	0	0	110.9
120	F	95.6	Very high	91.1	Very high	16 Å²	16	92.4 Å²	92.4	7%	0.07	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-62.8	141.4	-177.5	-75.7	-88.9	0	0	0	113.4	L111 R112 F115 F118 V150 I156	L111-F120 HydrophobicContact CB-CE1 3.58Å; L111-F120 HydrophobicContact CB-CZ 3.55Å; L111-F120 HydrophobicContact CD1-CE1 4.1Å; L111-F120 HydrophobicContact CG-CE1 4.48Å; L111-F120 WeakPolarHBondContact O-CE2 3.49Å; L111-F120 WeakPolarHBondContact O-CZ 3.43Å; R112-F120 HydrophobicContact CB-CD2 4.47Å; R112-F120 HydrophobicContact CB-CE2 4.47Å; R112-F120 HydrophobicContact CG-CB 4.41Å; R112-F120 HydrophobicContact CG-CD2 3.53Å; R112-F120 HydrophobicContact CG-CE2 3.95Å; R112-F120 HydrophobicContact CG-CG 3.98Å; F115-F120 HydrophobicContact CB-CE2 4.07Å; F115-F120 HydrophobicContact CB-CZ 3.93Å; F115-F120 HydrophobicContact CD2-CZ 4.34Å; F115-F120 WeakPolarHBondContact O-CE2 3.41Å; F118-F120 HydrophobicContact CB-CD2 4.33Å; F118-F120 HydrophobicContact CB-CE2 3.92Å; F118-F120 HydrophobicContact CB-CZ 4.34Å; F118-F120 HydrophobicContact CD1-CB 4.45Å; F118-F120 AromaticContact CD1-CD1 3.68Å; F118-F120 HydrophobicContact CD1-CD1 3.68Å; F118-F120 AromaticContact CD1-CD2 3.67Å; F118-F120 HydrophobicContact CD1-CD2 3.67Å; F118-F120 AromaticContact CD1-CE1 3.64Å; F118-F120 HydrophobicContact CD1-CE1 3.64Å; F118-F120 AromaticContact CD1-CE2 3.67Å; F118-F120 HydrophobicContact CD1-CE2 3.67Å; F118-F120 AromaticContact CD1-CG 3.68Å; F118-F120 HydrophobicContact CD1-CG 3.68Å; F118-F120 AromaticContact CD1-CZ 3.64Å; F118-F120 HydrophobicContact CD1-CZ 3.64Å; F118-F120 AromaticContact CE1-CD1 3.88Å; F118-F120 HydrophobicContact CE1-CD1 3.88Å; F118-F120 HydrophobicContact CE1-CE1 4.05Å; F118-F120 HydrophobicContact CE1-CG 4.14Å; F118-F120 HydrophobicContact CE1-CZ 4.48Å; F118-F120 HydrophobicContact CG-CD2 4.47Å; F118-F120 HydrophobicContact CG-CE2 4.29Å; F118-F120 HydrophobicContact CG-CZ 4.44Å; F118-F120 VanDerWaalsContact O-CD2 3.27Å; F118-F120 WeakPolarHBondContact O-CD2 3.35Å; F118-F120 PolarHBondContact O-N 3.05Å; F118-F120 VanDerWaalsContact O-N 3.09Å; F120-V150 HydrophobicContact CD1-CG2 4.07Å; F120-V150 HydrophobicContact CE1-CG2 4.38Å; F120-I156 HydrophobicContact CE1-CD1 4.37Å; F120-I156 HydrophobicContact CZ-CD1 4.27Å
121	P	95.1	Very high	90.6	Very high	23 Å²	23	90 Å²	90	15%	0.149	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-60.3	152.1	169.6	28.3	-35.8	0	0	0	111	L123 Y146 K149 V150	P121-L123 PolarHBondContact O-N 3.45Å; P121-Y146 HydrophobicContact CB-CD2 4.34Å; P121-Y146 HydrophobicContact CG-CD2 3.69Å; P121-Y146 HydrophobicContact CG-CE2 3.95Å; P121-Y146 HydrophobicContact CG-CG 4.47Å; P121-K149 HydrophobicContact CB-CB 4.26Å; P121-K149 HydrophobicContact CB-CD 3.8Å; P121-K149 HydrophobicContact CG-CB 3.85Å; P121-K149 HydrophobicContact CG-CD 4.32Å; P121-V150 HydrophobicContact CG-CG2 3.97Å
122	K	93.7	Very high	90.3	Very high	203 Å²	203	92.7 Å²	92.7	88%	0.883	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-65.8	122.7	176.9	-66.2	-174.8	180	179.1	0	109.9
123	L	95.4	Very high	90.1	Very high	30 Å²	30	92.9 Å²	92.9	16%	0.157	49%	0.486	C	S	.	.	P	Polyproline II helix	trans	-72	140.2	169.9	-168.7	72.6	0	0	0	109.6	F104 A105 H108 P121 G125 L143 Y146	F104-L123 HydrophobicContact CB-CD1 4.33Å; A105-L123 HydrophobicContact CB-CD2 3.98Å; H108-L123 HydrophobicContact CB-CD2 4.02Å; P121-L123 PolarHBondContact O-N 3.45Å; L123-G125 PolarHBondContact O-N 2.81Å; L123-L143 HydrophobicContact CD1-CD2 3.88Å; L123-Y146 HydrophobicContact CB-CD2 4.25Å; L123-Y146 HydrophobicContact CB-CE2 4.29Å; L123-Y146 HydrophobicContact CD1-CD1 3.79Å; L123-Y146 HydrophobicContact CD1-CD2 3.74Å; L123-Y146 HydrophobicContact CD1-CE1 4Å; L123-Y146 HydrophobicContact CD1-CE2 3.96Å; L123-Y146 HydrophobicContact CD1-CG 3.68Å
124	P	93.2	Very high	90	Very high	26 Å²	26	92 Å²	92	17%	0.169	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-51.9	139.8	172.1	-27.5	35.9	0	0	0	111.6	Y101 R139 G142 L143	Y101-P124 HydrophobicContact CE2-CB 4.48Å; Y101-P124 WeakPolarHBondContact CE2-O 3.34Å; Y101-P124 PolarHBondContact OH-O 3.25Å; P124-R139 HydrophobicContact CB-CG 4.38Å; P124-G142 VanDerWaalsContact CG-C 3.42Å; P124-L143 HydrophobicContact CG-CD2 4.05Å; P124-L143 HydrophobicContact CG-CG 4.22Å
125	G	87.2	Confident	89.9	Confident	56 Å²	56	91.2 Å²	91.2	58%	0.577	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-72.6	156.7	-175.2	0	0	0	0	0	114.7	L123 R139	L123-G125 PolarHBondContact O-N 2.81Å; G125-R139 PolarHBondContact O-NH2 2.95Å
126	K	84.6	Confident	89.9	Confident	147 Å²	147	91.7 Å²	91.7	64%	0.639	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-69.8	140.8	165.1	-74.5	-178.9	-178.3	175.8	0	109.7	Y101	Y101-K126 HydrophobicContact CD1-CG 4.19Å; Y101-K126 HydrophobicContact CE1-CB 4.47Å; Y101-K126 HydrophobicContact CE1-CD 4.1Å; Y101-K126 HydrophobicContact CE1-CG 3.27Å
127	W	80	Confident	90	Very high	140 Å²	140	89.6 Å²	89.6	53%	0.53	46%	0.464	S	S	.	.			trans	-119.2	135.2	173.3	-166.6	-109.7	0	0	0	108.3	F129 L131	W127-F129 VanDerWaalsContact C-N 3.29Å; W127-F129 HydrophobicContact CZ2-CD2 4.46Å; W127-F129 AromaticContact NE1-CD2 3.64Å; W127-F129 PolarHBondContact O-N 3.41Å; W127-L131 HydrophobicContact CB-CD2 3.68Å; W127-L131 HydrophobicContact CG-CD2 3.85Å
128	P	75.4	Confident	90.3	Very high	109 Å²	109	91 Å²	91	71%	0.708	46%	0.461	S	S	*	.	S	Bend	trans	-77.7	-13.7	-172.6	30.2	-34.6	0	0	0	113.7
129	F	83.1	Confident	90.4	Very high	148 Å²	148	91.1 Å²	91.1	65%	0.649	46%	0.461	S	S	*	.	S	Bend	trans	-106.8	164.8	179.9	-54.3	-67.4	0	0	0	112	W127 L131	W127-F129 VanDerWaalsContact C-N 3.29Å; W127-F129 HydrophobicContact CZ2-CD2 4.46Å; W127-F129 AromaticContact NE1-CD2 3.64Å; W127-F129 PolarHBondContact O-N 3.41Å; F129-L131 PolarHBondContact O-N 3.33Å
130	Q	82.2	Confident	90.5	Very high	191 Å²	191	84.9 Å²	84.9	89%	0.893	43%	0.426	S	S	*	.	P	Polyproline II helix	trans	-56.2	135	167.5	-72.8	-177.2	-18.1	0	0	109.6
131	L	87.9	Confident	90.6	Very high	35 Å²	35	90.1 Å²	90.1	18%	0.183	45%	0.445	C	S	.	.	P	Polyproline II helix	trans	-81.8	138	179.2	-67.5	-171.2	0	0	0	110.4	W127 F129 Q135 L136	W127-L131 HydrophobicContact CB-CD2 3.68Å; W127-L131 HydrophobicContact CG-CD2 3.85Å; F129-L131 PolarHBondContact O-N 3.33Å; L131-Q135 HydrophobicContact CB-CB 4.03Å; L131-Q135 HydrophobicContact CD1-CB 4.39Å; L131-Q135 HydrophobicContact CD2-CB 3.89Å; L131-Q135 HydrophobicContact CG-CB 4.33Å; L131-L136 HydrophobicContact CB-CD2 3.86Å; L131-L136 HydrophobicContact CB-CG 3.78Å; L131-L136 HydrophobicContact CD1-CD2 3.69Å; L131-L136 HydrophobicContact CD1-CG 4.27Å; L131-L136 HydrophobicContact CG-CD2 4.36Å
132	S	91.4	Very high	90.7	Very high	57 Å²	57	90 Å²	90	40%	0.399	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-65.8	162.2	161.4	59.6	0	0	0	0	111.2	Q134 Q135 L136	S132-Q134 VanDerWaalsContact C-N 3.27Å; S132-Q134 PolarHBondContact O-N 3.18Å; S132-Q135 PolarHBondContact O-N 2.87Å; S132-Q135 VanDerWaalsContact OG-CD 3.32Å; S132-Q135 VanDerWaalsContact OG-CG 3.28Å; S132-Q135 WeakPolarHBondContact OG-CG 3.4Å; S132-Q135 PolarHBondContact OG-N 3.01Å; S132-Q135 PolarHBondContact OG-OE1 2.99Å; S132-L136 WeakPolarHBondContact O-CG 3.37Å; S132-L136 PolarHBondContact O-N 3.45Å
133	E	91.4	Very high	90.9	Very high	153 Å²	153	80.3 Å²	80.3	72%	0.715	41%	0.405	S	S	*	.	H	α-helix	trans	-55.5	-41.7	176.3	-66.1	-175.8	164.8	0	0	112.4	Q135 L136 D137	E133-Q135 VanDerWaalsContact C-N 3.33Å; E133-Q135 PolarHBondContact O-N 3.25Å; E133-L136 WeakPolarHBondContact O-CB 3.36Å; E133-L136 PolarHBondContact O-N 3.48Å; E133-L136 VanDerWaalsContact O-N 3.15Å; E133-D137 PolarHBondContact O-N 2.7Å
134	Q	93.6	Very high	91	Very high	159 Å²	159	80.5 Å²	80.5	74%	0.743	41%	0.406	S	S	*	.	H	α-helix	trans	-62.4	-39.8	176.9	-172.3	-178.3	6.8	0	0	112.3	S132 L136 T138	S132-Q134 VanDerWaalsContact C-N 3.27Å; S132-Q134 PolarHBondContact O-N 3.18Å; Q134-L136 VanDerWaalsContact C-N 3.35Å; Q134-T138 WeakPolarHBondContact O-CB 3.33Å; Q134-T138 PolarHBondContact O-N 2.67Å; Q134-T138 PolarHBondContact O-OG1 2.83Å
135	Q	93.6	Very high	91.2	Very high	73 Å²	73	84.2 Å²	84.2	34%	0.341	42%	0.421	S	S	.	.	H	α-helix	trans	-71.3	-31.9	176	-69.8	167.3	-43.1	0	0	112	L131 S132 E133 R139	L131-Q135 HydrophobicContact CB-CB 4.03Å; L131-Q135 HydrophobicContact CD1-CB 4.39Å; L131-Q135 HydrophobicContact CD2-CB 3.89Å; L131-Q135 HydrophobicContact CG-CB 4.33Å; S132-Q135 PolarHBondContact O-N 2.87Å; S132-Q135 VanDerWaalsContact OG-CD 3.32Å; S132-Q135 VanDerWaalsContact OG-CG 3.28Å; S132-Q135 WeakPolarHBondContact OG-CG 3.4Å; S132-Q135 PolarHBondContact OG-N 3.01Å; S132-Q135 PolarHBondContact OG-OE1 2.99Å; E133-Q135 VanDerWaalsContact C-N 3.33Å; E133-Q135 PolarHBondContact O-N 3.25Å; Q135-R139 WeakPolarHBondContact O-CB 3.26Å; Q135-R139 PolarHBondContact O-N 2.83Å
136	L	94.2	Very high	91.7	Very high	17 Å²	17	81.6 Å²	81.6	9%	0.089	39%	0.394	C	S	.	.	H	α-helix	trans	-65.8	-47.1	173.4	-74.3	173	0	0	0	111.6	Y74 I85 L131 S132 E133 Q134 T138 R139 R140	Y74-L136 HydrophobicContact CD1-CB 4.43Å; Y74-L136 HydrophobicContact CE1-CB 3.98Å; Y74-L136 HydrophobicContact CE2-CD1 3.86Å; I85-L136 HydrophobicContact CG1-CD2 4.29Å; I85-L136 HydrophobicContact CG2-CD2 4.04Å; L131-L136 HydrophobicContact CB-CD2 3.86Å; L131-L136 HydrophobicContact CB-CG 3.78Å; L131-L136 HydrophobicContact CD1-CD2 3.69Å; L131-L136 HydrophobicContact CD1-CG 4.27Å; L131-L136 HydrophobicContact CG-CD2 4.36Å; S132-L136 WeakPolarHBondContact O-CG 3.37Å; S132-L136 PolarHBondContact O-N 3.45Å; E133-L136 WeakPolarHBondContact O-CB 3.36Å; E133-L136 PolarHBondContact O-N 3.48Å; E133-L136 VanDerWaalsContact O-N 3.15Å; Q134-L136 VanDerWaalsContact C-N 3.35Å; L136-T138 VanDerWaalsContact C-N 3.33Å; L136-T138 PolarHBondContact O-N 3.48Å; L136-R139 PolarHBondContact O-N 3.29Å; L136-R140 WeakPolarHBondContact O-CB 3.29Å; L136-R140 PolarHBondContact O-N 3.03Å
137	D	94.8	Very high	92.3	Very high	52 Å²	52	74.8 Å²	74.8	28%	0.278	36%	0.364	S	S	.	.	H	α-helix	trans	-63.1	-40.5	175.4	-175.6	60	0	0	0	111.5	E133 R139 R140 R141	E133-D137 PolarHBondContact O-N 2.7Å; D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 3.27Å; D137-R140 WeakPolarHBondContact O-CB 3.28Å; D137-R140 PolarHBondContact O-N 2.83Å; D137-R140 IonicContact OD1-CZ 2.88Å; D137-R140 IonicContact OD1-NE 2.77Å; D137-R140 PolarHBondContact OD1-NE 3.06Å; D137-R140 IonicContact OD1-NH2 2.78Å; D137-R140 PolarHBondContact OD1-NH2 3.16Å; D137-R141 WeakPolarHBondContact O-CG 3.29Å; D137-R141 PolarHBondContact O-N 2.94Å; D137-R141 IonicContact OD1-NE 2.83Å; D137-R141 IonicContact OD1-NH2 3.68Å; D137-R141 IonicContact OD2-CZ 3.51Å; D137-R141 IonicContact OD2-NE 3.96Å; D137-R141 PolarHBondContact OD2-NE 3.36Å; D137-R141 IonicContact OD2-NH2 3.65Å; D137-R141 PolarHBondContact OD2-NH2 2.95Å
138	T	95.7	Very high	93	Very high	91 Å²	91	72.1 Å²	72.1	56%	0.558	36%	0.357	S	S	*	.	H	α-helix	trans	-59.5	-43.9	174.7	-57.8	0	0	0	0	111.3	Q134 L136 G142	Q134-T138 WeakPolarHBondContact O-CB 3.33Å; Q134-T138 PolarHBondContact O-N 2.67Å; Q134-T138 PolarHBondContact O-OG1 2.83Å; L136-T138 VanDerWaalsContact C-N 3.33Å; L136-T138 PolarHBondContact O-N 3.48Å; T138-G142 PolarHBondContact O-N 3.14Å; T138-G142 VanDerWaalsContact O-N 3.07Å
139	R	95.8	Very high	93.9	Very high	38 Å²	38	72.6 Å²	72.6	14%	0.143	35%	0.348	C	S	.	.	H	α-helix	trans	-65.4	-43.9	175.9	179.6	172.6	-76.3	164.6	4.3	111.4	F87 Y101 P124 G125 Q135 L136 D137 R141 G142 L143	F87-R139 HydrophobicContact CE2-CG 4.48Å; F87-R139 HydrophobicContact CZ-CB 4.42Å; F87-R139 HydrophobicContact CZ-CG 3.91Å; Y101-R139 HydrophobicContact CD2-CG 4.28Å; P124-R139 HydrophobicContact CB-CG 4.38Å; G125-R139 PolarHBondContact O-NH2 2.95Å; Q135-R139 WeakPolarHBondContact O-CB 3.26Å; Q135-R139 PolarHBondContact O-N 2.83Å; L136-R139 PolarHBondContact O-N 3.29Å; D137-R139 VanDerWaalsContact C-N 3.32Å; D137-R139 PolarHBondContact O-N 3.27Å; R139-R141 PolarHBondContact O-N 2.86Å; R139-G142 PolarHBondContact O-N 2.82Å; R139-L143 HydrophobicContact CG-CD1 3.99Å; R139-L143 HydrophobicContact CG-CG 4.21Å; R139-L143 VanDerWaalsContact O-CG 3.3Å; R139-L143 WeakPolarHBondContact O-CG 3.01Å; R139-L143 PolarHBondContact O-N 3.02Å
140	R	97.1	Very high	94.4	Very high	18 Å²	18	65.5 Å²	65.5	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-53.8	-53.5	176.7	-176.7	-162.3	64.7	72.1	-4.3	111	I71 F87 L136 D137 G142 L143 E144	I71-R140 HydrophobicContact CB-CG 4.17Å; I71-R140 HydrophobicContact CG2-CG 3.64Å; I71-R140 WeakPolarHBondContact O-CD 3.44Å; I71-R140 VanDerWaalsContact O-CG 3.26Å; I71-R140 WeakPolarHBondContact O-CG 3.48Å; I71-R140 PolarHBondContact O-NH1 2.84Å; F87-R140 HydrophobicContact CD1-CB 3.92Å; F87-R140 HydrophobicContact CD1-CG 4.06Å; F87-R140 HydrophobicContact CE1-CB 3.83Å; F87-R140 HydrophobicContact CE1-CG 4.46Å; L136-R140 WeakPolarHBondContact O-CB 3.29Å; L136-R140 PolarHBondContact O-N 3.03Å; D137-R140 WeakPolarHBondContact O-CB 3.28Å; D137-R140 PolarHBondContact O-N 2.83Å; D137-R140 IonicContact OD1-CZ 2.88Å; D137-R140 IonicContact OD1-NE 2.77Å; D137-R140 PolarHBondContact OD1-NE 3.06Å; D137-R140 IonicContact OD1-NH2 2.78Å; D137-R140 PolarHBondContact OD1-NH2 3.16Å; R140-G142 VanDerWaalsContact C-N 3.31Å; R140-G142 PolarHBondContact O-N 3.05Å; R140-L143 PolarHBondContact O-N 2.96Å; R140-E144 IonicContact NH1-OE1 3.86Å; R140-E144 IonicContact NH1-OE2 2.72Å; R140-E144 PolarHBondContact O-N 2.79Å
141	R	97.1	Very high	95	Very high	127 Å²	127	56.5 Å²	56.5	48%	0.479	28%	0.275	S	S	.	.	H	α-helix	trans	-59.3	-40.7	176.9	-67.4	178	-170.9	-89.4	-1.1	112.5	D137 R139 E144 Q145	D137-R141 WeakPolarHBondContact O-CG 3.29Å; D137-R141 PolarHBondContact O-N 2.94Å; D137-R141 IonicContact OD1-NE 2.83Å; D137-R141 IonicContact OD1-NH2 3.68Å; D137-R141 IonicContact OD2-CZ 3.51Å; D137-R141 IonicContact OD2-NE 3.96Å; D137-R141 PolarHBondContact OD2-NE 3.36Å; D137-R141 IonicContact OD2-NH2 3.65Å; D137-R141 PolarHBondContact OD2-NH2 2.95Å; R139-R141 PolarHBondContact O-N 2.86Å; R141-E144 PolarHBondContact O-N 3.14Å; R141-Q145 WeakPolarHBondContact O-CG 2.95Å; R141-Q145 PolarHBondContact O-N 3.36Å
142	G	97.8	Very high	95.3	Very high	19 Å²	19	56.1 Å²	56.1	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-34.9	177.5	0	0	0	0	0	113.5	P124 T138 R139 R140 Y146	P124-G142 VanDerWaalsContact CG-C 3.42Å; T138-G142 PolarHBondContact O-N 3.14Å; T138-G142 VanDerWaalsContact O-N 3.07Å; R139-G142 PolarHBondContact O-N 2.82Å; R140-G142 VanDerWaalsContact C-N 3.31Å; R140-G142 PolarHBondContact O-N 3.05Å; G142-Y146 WeakPolarHBondContact O-CB 3.06Å; G142-Y146 PolarHBondContact O-N 2.73Å; G142-Y146 VanDerWaalsContact O-N 3.08Å
143	L	98	Very high	95.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-71.5	-38.1	174.8	-68.5	174.9	0	0	0	111.6	I71 F87 Y101 F104 L123 P124 R139 R140 Y146 L147	I71-L143 HydrophobicContact CD1-CB 3.73Å; F87-L143 HydrophobicContact CD1-CD1 4.25Å; F87-L143 HydrophobicContact CD2-CD1 3.52Å; F87-L143 HydrophobicContact CE1-CD1 4.31Å; F87-L143 HydrophobicContact CE2-CD1 3.61Å; F87-L143 HydrophobicContact CG-CD1 3.87Å; F87-L143 HydrophobicContact CZ-CD1 4.01Å; Y101-L143 HydrophobicContact CD2-CD1 4.47Å; Y101-L143 HydrophobicContact CD2-CD2 4.21Å; Y101-L143 HydrophobicContact CE2-CD2 4.44Å; F104-L143 HydrophobicContact CB-CD2 3.93Å; F104-L143 HydrophobicContact CD1-CB 4.31Å; F104-L143 HydrophobicContact CD1-CD1 4.46Å; F104-L143 HydrophobicContact CD1-CD2 3.74Å; F104-L143 HydrophobicContact CD1-CG 4.39Å; F104-L143 HydrophobicContact CD2-CD1 4.09Å; F104-L143 HydrophobicContact CD2-CD2 4.33Å; F104-L143 HydrophobicContact CE1-CB 3.97Å; F104-L143 HydrophobicContact CE1-CD1 4.32Å; F104-L143 HydrophobicContact CE1-CD2 4.24Å; F104-L143 HydrophobicContact CE1-CG 4.4Å; F104-L143 HydrophobicContact CE2-CD1 3.96Å; F104-L143 HydrophobicContact CG-CD1 4.33Å; F104-L143 HydrophobicContact CG-CD2 3.78Å; F104-L143 HydrophobicContact CZ-CB 4.35Å; F104-L143 HydrophobicContact CZ-CD1 4.08Å; L123-L143 HydrophobicContact CD1-CD2 3.88Å; P124-L143 HydrophobicContact CG-CD2 4.05Å; P124-L143 HydrophobicContact CG-CG 4.22Å; R139-L143 HydrophobicContact CG-CD1 3.99Å; R139-L143 HydrophobicContact CG-CG 4.21Å; R139-L143 VanDerWaalsContact O-CG 3.3Å; R139-L143 WeakPolarHBondContact O-CG 3.01Å; R139-L143 PolarHBondContact O-N 3.02Å; R140-L143 PolarHBondContact O-N 2.96Å; L143-Y146 WeakPolarHBondContact O-CB 3.19Å; L143-Y146 PolarHBondContact O-N 3.16Å; L143-L147 PolarHBondContact O-N 3.45Å
144	E	97.6	Very high	95.5	Very high	35 Å²	35	51.7 Å²	51.7	16%	0.164	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-55	173.4	-178.9	173.8	75.1	0	0	110.6	S70 I71 R140 R141 Y146 L147 E148	S70-E144 WeakPolarHBondContact CA-OE2 3.5Å; I71-E144 HydrophobicContact CB-CB 4.16Å; I71-E144 HydrophobicContact CD1-CB 4.23Å; I71-E144 HydrophobicContact CG1-CB 4.05Å; I71-E144 PolarHBondContact N-OE2 3.19Å; R140-E144 IonicContact NH1-OE1 3.86Å; R140-E144 IonicContact NH1-OE2 2.72Å; R140-E144 PolarHBondContact O-N 2.79Å; R141-E144 PolarHBondContact O-N 3.14Å; E144-Y146 PolarHBondContact O-N 2.85Å; E144-L147 PolarHBondContact O-N 3.47Å; E144-L147 VanDerWaalsContact O-N 3.08Å; E144-E148 WeakPolarHBondContact O-CG 3.28Å; E144-E148 PolarHBondContact O-N 3.34Å
145	Q	96.7	Very high	95.4	Very high	103 Å²	103	46.9 Å²	46.9	48%	0.481	23%	0.227	S	C	.	.	H	α-helix	trans	-59.4	-31.6	176.9	-70.8	174.5	10.2	0	0	113.5	R141 K149	R141-Q145 WeakPolarHBondContact O-CG 2.95Å; R141-Q145 PolarHBondContact O-N 3.36Å; Q145-K149 WeakPolarHBondContact O-CG 3.13Å; Q145-K149 PolarHBondContact O-N 3.43Å
146	Y	97.5	Very high	95.5	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.008	21%	0.21	C	C	.	.	H	α-helix	trans	-66.4	-51.8	174.4	172.4	-89.8	0	0	0	110.5	H108 P121 L123 G142 L143 E144 K149 V150	H108-Y146 WeakPolarHBondContact CA-OH 3.26Å; H108-Y146 WeakPolarHBondContact CB-OH 2.95Å; H108-Y146 AromaticContact CE1-CE2 3.99Å; H108-Y146 AromaticContact ND1-CE2 3.34Å; H108-Y146 VanDerWaalsContact ND1-CE2 3.34Å; H108-Y146 WeakPolarHBondContact ND1-CE2 3.45Å; H108-Y146 AromaticContact ND1-CZ 3.45Å; H108-Y146 PolarHBondContact ND1-OH 3.3Å; P121-Y146 HydrophobicContact CB-CD2 4.34Å; P121-Y146 HydrophobicContact CG-CD2 3.69Å; P121-Y146 HydrophobicContact CG-CE2 3.95Å; P121-Y146 HydrophobicContact CG-CG 4.47Å; L123-Y146 HydrophobicContact CB-CD2 4.25Å; L123-Y146 HydrophobicContact CB-CE2 4.29Å; L123-Y146 HydrophobicContact CD1-CD1 3.79Å; L123-Y146 HydrophobicContact CD1-CD2 3.74Å; L123-Y146 HydrophobicContact CD1-CE1 4Å; L123-Y146 HydrophobicContact CD1-CE2 3.96Å; L123-Y146 HydrophobicContact CD1-CG 3.68Å; G142-Y146 WeakPolarHBondContact O-CB 3.06Å; G142-Y146 PolarHBondContact O-N 2.73Å; G142-Y146 VanDerWaalsContact O-N 3.08Å; L143-Y146 WeakPolarHBondContact O-CB 3.19Å; L143-Y146 PolarHBondContact O-N 3.16Å; E144-Y146 PolarHBondContact O-N 2.85Å; Y146-K149 PolarHBondContact O-N 3.1Å; Y146-V150 HydrophobicContact CD1-CG2 4.31Å; Y146-V150 HydrophobicContact CD2-CG2 4.44Å; Y146-V150 HydrophobicContact CE1-CG2 3.84Å; Y146-V150 HydrophobicContact CE2-CG2 3.97Å; Y146-V150 WeakPolarHBondContact O-CG2 3.32Å; Y146-V150 PolarHBondContact O-N 3.06Å
147	L	96.6	Very high	95.4	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-64	-42	179.2	-75.1	-174.5	0	0	0	112.2	I69 I71 I89 F104 L107 L143 E144 K149 V150 C151 F165	I69-L147 HydrophobicContact CD1-CB 3.97Å; I69-L147 HydrophobicContact CD1-CD1 4.03Å; I71-L147 HydrophobicContact CD1-CD1 4.15Å; I89-L147 HydrophobicContact CD1-CD1 4.08Å; I89-L147 HydrophobicContact CG1-CD1 4.18Å; I89-L147 HydrophobicContact CG2-CD1 4.13Å; F104-L147 HydrophobicContact CD1-CG 4.43Å; F104-L147 HydrophobicContact CE1-CD1 3.7Å; F104-L147 HydrophobicContact CE1-CD2 4.42Å; F104-L147 HydrophobicContact CE1-CG 3.99Å; F104-L147 HydrophobicContact CZ-CD1 4.5Å; L107-L147 HydrophobicContact CD2-CD2 4.32Å; L143-L147 PolarHBondContact O-N 3.45Å; E144-L147 PolarHBondContact O-N 3.47Å; E144-L147 VanDerWaalsContact O-N 3.08Å; L147-K149 VanDerWaalsContact C-N 3.28Å; L147-K149 PolarHBondContact O-N 3.38Å; L147-V150 PolarHBondContact O-N 3.48Å; L147-C151 VanDerWaalsContact O-CB 3.3Å; L147-C151 WeakPolarHBondContact O-CB 3.1Å; L147-C151 PolarHBondContact O-N 3.32Å; L147-C151 PolarHBondContact O-SG 3.44Å; L147-F165 HydrophobicContact CD1-CE1 4.3Å; L147-F165 HydrophobicContact CD2-CE1 4.11Å
148	E	94.8	Very high	95.3	Very high	84 Å²	84	44 Å²	44	39%	0.393	21%	0.211	S	C	.	.	H	α-helix	trans	-52.6	-47	175.1	-75.5	176.3	163.4	0	0	111.6	I69 E144 A152	I69-E148 HydrophobicContact CG2-CB 4.17Å; I69-E148 HydrophobicContact CG2-CG 3.58Å; E144-E148 WeakPolarHBondContact O-CG 3.28Å; E144-E148 PolarHBondContact O-N 3.34Å; E148-A152 WeakPolarHBondContact O-CB 3.25Å; E148-A152 PolarHBondContact O-N 3.17Å
149	K	94.7	Very high	95.2	Very high	119 Å²	119	40 Å²	40	52%	0.517	19%	0.187	S	C	.	.	H	α-helix	trans	-73.6	-34.7	-178.5	-73.5	175.4	-175.4	175	0	113.4	P121 Q145 Y146 L147	P121-K149 HydrophobicContact CB-CB 4.26Å; P121-K149 HydrophobicContact CB-CD 3.8Å; P121-K149 HydrophobicContact CG-CB 3.85Å; P121-K149 HydrophobicContact CG-CD 4.32Å; Q145-K149 WeakPolarHBondContact O-CG 3.13Å; Q145-K149 PolarHBondContact O-N 3.43Å; Y146-K149 PolarHBondContact O-N 3.1Å; L147-K149 VanDerWaalsContact C-N 3.28Å; L147-K149 PolarHBondContact O-N 3.38Å
150	V	94.8	Very high	95.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72	-51.3	178.4	167.7	0	0	0	0	110.3	L111 F120 P121 Y146 L147 A152 V153 I156	L111-V150 HydrophobicContact CD1-CG1 3.65Å; F120-V150 HydrophobicContact CD1-CG2 4.07Å; F120-V150 HydrophobicContact CE1-CG2 4.38Å; P121-V150 HydrophobicContact CG-CG2 3.97Å; Y146-V150 HydrophobicContact CD1-CG2 4.31Å; Y146-V150 HydrophobicContact CD2-CG2 4.44Å; Y146-V150 HydrophobicContact CE1-CG2 3.84Å; Y146-V150 HydrophobicContact CE2-CG2 3.97Å; Y146-V150 WeakPolarHBondContact O-CG2 3.32Å; Y146-V150 PolarHBondContact O-N 3.06Å; L147-V150 PolarHBondContact O-N 3.48Å; V150-A152 PolarHBondContact O-N 3.05Å; V150-V153 PolarHBondContact O-N 3.42Å; V150-I156 HydrophobicContact CG1-CG2 3.69Å
151	C	93.9	Very high	95.1	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.014	21%	0.213	C	C	.	.	H	α-helix	trans	-75.4	-9.8	-178.5	-60.3	0	0	0	0	113.2	L67 L147 V153 A157	L67-C151 HydrophobicContact CD1-CB 4.2Å; L147-C151 VanDerWaalsContact O-CB 3.3Å; L147-C151 WeakPolarHBondContact O-CB 3.1Å; L147-C151 PolarHBondContact O-N 3.32Å; L147-C151 PolarHBondContact O-SG 3.44Å; C151-V153 PolarHBondContact O-N 2.76Å; C151-A157 HydrophobicContact CB-CB 4.33Å; C151-A157 WeakPolarHBondContact O-CB 3.27Å
152	A	93.4	Very high	95	Very high	27 Å²	27	37.9 Å²	37.9	22%	0.223	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-25.5	170.5	0	0	0	0	0	112.7	K64 R65 E148 V150	K64-A152 CarbonylContact C-O 3.46Å; K64-A152 WeakPolarHBondContact CA-O 3.14Å; R65-A152 PolarHBondContact N-O 3.25Å; R65-A152 VanDerWaalsContact O-CA 3.27Å; R65-A152 WeakPolarHBondContact O-CA 3.43Å; E148-A152 WeakPolarHBondContact O-CB 3.25Å; E148-A152 PolarHBondContact O-N 3.17Å; V150-A152 PolarHBondContact O-N 3.05Å
153	V	94.5	Very high	94.7	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.012	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-92.2	117.5	178.9	-178.1	0	0	0	0	108.9	Y61 K64 F118 V150 C151 V155 I156 A157	Y61-V153 HydrophobicContact CD1-CG1 4.14Å; K64-V153 HydrophobicContact CG-CG2 4.41Å; F118-V153 HydrophobicContact CE2-CG2 3.65Å; F118-V153 HydrophobicContact CZ-CG2 3.75Å; V150-V153 PolarHBondContact O-N 3.42Å; C151-V153 PolarHBondContact O-N 2.76Å; V153-V155 HydrophobicContact CG1-CG1 4.02Å; V153-V155 PolarHBondContact O-N 3.11Å; V153-I156 HydrophobicContact CB-CB 4.35Å; V153-I156 HydrophobicContact CB-CD1 4.08Å; V153-I156 HydrophobicContact CB-CG1 4.23Å; V153-I156 HydrophobicContact CG1-CD1 4.06Å; V153-I156 HydrophobicContact CG1-CG1 4.02Å; V153-I156 PolarHBondContact O-N 2.83Å; V153-I156 VanDerWaalsContact O-N 3.13Å; V153-A157 PolarHBondContact O-N 3.14Å
154	R	92.4	Very high	94.4	Very high	115 Å²	115	45.1 Å²	45.1	43%	0.434	22%	0.223	S	C	.	.	H	α-helix	trans	-58.2	-50.4	-167.3	-174.7	-175.5	174.6	175.7	-3.9	113.1	D63 I156 A157 E158	D63-R154 HydrophobicContact CB-CB 4.3Å; D63-R154 PolarHBondContact O-N 3.02Å; D63-R154 WeakPolarHBondContact OD2-CD 3.34Å; D63-R154 IonicContact OD2-NH1 3.34Å; D63-R154 PolarHBondContact OD2-NH1 3.26Å; R154-I156 PolarHBondContact O-N 3.48Å; R154-A157 PolarHBondContact O-N 3.07Å; R154-A157 VanDerWaalsContact O-N 3.13Å; R154-E158 VanDerWaalsContact CG-CD 3.46Å; R154-E158 HydrophobicContact CG-CG 4.31Å; R154-E158 VanDerWaalsContact CG-OE1 3.28Å; R154-E158 WeakPolarHBondContact CG-OE1 3.19Å; R154-E158 WeakPolarHBondContact CG-OE2 3.43Å; R154-E158 IonicContact CZ-OE1 2.67Å; R154-E158 IonicContact CZ-OE2 3.7Å; R154-E158 IonicContact NE-OE1 3.44Å; R154-E158 PolarHBondContact NE-OE1 3.23Å; R154-E158 VanDerWaalsContact NE-OE1 3.07Å; R154-E158 IonicContact NE-OE2 2.86Å; R154-E158 PolarHBondContact NE-OE2 2.72Å; R154-E158 VanDerWaalsContact NE-OE2 3.09Å; R154-E158 IonicContact NH2-OE2 2.91Å; R154-E158 WeakPolarHBondContact O-CB 3.36Å; R154-E158 PolarHBondContact O-N 3.14Å
155	V	93.3	Very high	94.3	Very high	57 Å²	57	44.2 Å²	44.2	35%	0.345	22%	0.218	S	C	.	.	H	α-helix	trans	-60.9	-28.6	-178.8	68.2	0	0	0	0	113.2	I59 Y61 F115 V153	I59-V155 HydrophobicContact CG2-CB 4.43Å; I59-V155 HydrophobicContact CG2-CG1 3.7Å; I59-V155 HydrophobicContact CG2-CG2 3.98Å; Y61-V155 HydrophobicContact CD1-CG1 3.99Å; Y61-V155 HydrophobicContact CE1-CG1 4.29Å; F115-V155 HydrophobicContact CE1-CG2 4.29Å; V153-V155 HydrophobicContact CG1-CG1 4.02Å; V153-V155 PolarHBondContact O-N 3.11Å
156	I	94.9	Very high	94.1	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-81.4	-42.7	176.6	-58.4	179.9	0	0	0	110.2	Y61 L111 F115 F118 F120 V150 V153 R154 E158 S159 V162	Y61-I156 HydrophobicContact CD1-CD1 4.33Å; Y61-I156 HydrophobicContact CE1-CD1 4.42Å; L111-I156 HydrophobicContact CD1-CG2 4.17Å; L111-I156 HydrophobicContact CD2-CG2 4.11Å; F115-I156 HydrophobicContact CB-CD1 4.48Å; F115-I156 HydrophobicContact CD1-CG1 4.11Å; F115-I156 HydrophobicContact CD2-CG1 4.06Å; F115-I156 HydrophobicContact CD2-CG2 4.31Å; F115-I156 HydrophobicContact CE1-CG1 4.28Å; F115-I156 HydrophobicContact CE2-CB 4.47Å; F115-I156 HydrophobicContact CE2-CG1 4.25Å; F115-I156 HydrophobicContact CE2-CG2 4.24Å; F115-I156 HydrophobicContact CG-CD1 4.36Å; F115-I156 HydrophobicContact CG-CG1 3.99Å; F115-I156 HydrophobicContact CZ-CG1 4.36Å; F118-I156 HydrophobicContact CB-CD1 4.13Å; F118-I156 HydrophobicContact CD1-CD1 3.45Å; F118-I156 VanDerWaalsContact CD1-CD1 3.45Å; F118-I156 HydrophobicContact CD2-CD1 3.99Å; F118-I156 HydrophobicContact CE1-CD1 3.74Å; F118-I156 HydrophobicContact CE2-CD1 4.26Å; F118-I156 HydrophobicContact CG-CD1 3.58Å; F118-I156 HydrophobicContact CZ-CD1 4.14Å; F120-I156 HydrophobicContact CE1-CD1 4.37Å; F120-I156 HydrophobicContact CZ-CD1 4.27Å; V150-I156 HydrophobicContact CG1-CG2 3.69Å; V153-I156 HydrophobicContact CB-CB 4.35Å; V153-I156 HydrophobicContact CB-CD1 4.08Å; V153-I156 HydrophobicContact CB-CG1 4.23Å; V153-I156 HydrophobicContact CG1-CD1 4.06Å; V153-I156 HydrophobicContact CG1-CG1 4.02Å; V153-I156 PolarHBondContact O-N 2.83Å; V153-I156 VanDerWaalsContact O-N 3.13Å; R154-I156 PolarHBondContact O-N 3.48Å; I156-E158 VanDerWaalsContact C-N 3.29Å; I156-E158 PolarHBondContact O-N 2.8Å; I156-S159 WeakPolarHBondContact O-CB 3.3Å; I156-S159 PolarHBondContact O-N 3.4Å; I156-S159 PolarHBondContact O-OG 3.29Å; I156-S159 VanDerWaalsContact O-OG 3.11Å; I156-V162 WeakPolarHBondContact O-CG2 3.34Å
157	A	92.8	Very high	93.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.6	-41	176.7	0	0	0	0	0	111.4	C151 V153 R154 S159 Y249	C151-A157 HydrophobicContact CB-CB 4.33Å; C151-A157 WeakPolarHBondContact O-CB 3.27Å; V153-A157 PolarHBondContact O-N 3.14Å; R154-A157 PolarHBondContact O-N 3.07Å; R154-A157 VanDerWaalsContact O-N 3.13Å; A157-S159 PolarHBondContact O-N 3.44Å; A157-Y249 WeakPolarHBondContact CA-OH 3.4Å; A157-Y249 WeakPolarHBondContact CB-OH 3.36Å; A157-Y249 PolarHBondContact O-OH 2.87Å
158	E	91.5	Very high	92.7	Very high	82 Å²	82	43.3 Å²	43.3	38%	0.383	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	5.1	-178.1	-68.4	172	-174.8	0	0	113.2	R65 R154 I156	R65-E158 IonicContact CZ-OE1 3.99Å; R65-E158 IonicContact NH1-OE1 3.71Å; R65-E158 PolarHBondContact NH1-OE1 3.32Å; R65-E158 IonicContact NH2-OE1 2.66Å; R65-E158 PolarHBondContact NH2-OE1 3.09Å; R154-E158 VanDerWaalsContact CG-CD 3.46Å; R154-E158 HydrophobicContact CG-CG 4.31Å; R154-E158 VanDerWaalsContact CG-OE1 3.28Å; R154-E158 WeakPolarHBondContact CG-OE1 3.19Å; R154-E158 WeakPolarHBondContact CG-OE2 3.43Å; R154-E158 IonicContact CZ-OE1 2.67Å; R154-E158 IonicContact CZ-OE2 3.7Å; R154-E158 IonicContact NE-OE1 3.44Å; R154-E158 PolarHBondContact NE-OE1 3.23Å; R154-E158 VanDerWaalsContact NE-OE1 3.07Å; R154-E158 IonicContact NE-OE2 2.86Å; R154-E158 PolarHBondContact NE-OE2 2.72Å; R154-E158 VanDerWaalsContact NE-OE2 3.09Å; R154-E158 IonicContact NH2-OE2 2.91Å; R154-E158 WeakPolarHBondContact O-CB 3.36Å; R154-E158 PolarHBondContact O-N 3.14Å; I156-E158 VanDerWaalsContact C-N 3.29Å; I156-E158 PolarHBondContact O-N 2.8Å
159	S	94.1	Very high	91.5	Very high	8 Å²	8	42.5 Å²	42.5	6%	0.056	22%	0.221	C	C	.	.	S	Bend	trans	-76.6	149.1	178.5	87	0	0	0	0	112.6	I156 A157 A161 V162 Q163	I156-S159 WeakPolarHBondContact O-CB 3.3Å; I156-S159 PolarHBondContact O-N 3.4Å; I156-S159 PolarHBondContact O-OG 3.29Å; I156-S159 VanDerWaalsContact O-OG 3.11Å; A157-S159 PolarHBondContact O-N 3.44Å; S159-A161 PolarHBondContact O-N 3.32Å; S159-V162 PolarHBondContact O-N 3.05Å; S159-Q163 PolarHBondContact O-N 3.34Å; S159-Q163 VanDerWaalsContact O-N 3.09Å
160	D	94.1	Very high	89.9	Confident	128 Å²	128	45.1 Å²	45.1	68%	0.684	24%	0.235	S	C	*	.	H	α-helix	trans	-54.5	-37.4	176.4	-63.7	-22.8	0	0	0	111.4	V162 Q163 D164	D160-V162 VanDerWaalsContact C-N 3.31Å; D160-V162 PolarHBondContact O-N 3.09Å; D160-Q163 PolarHBondContact O-N 2.91Å; D160-D164 WeakPolarHBondContact O-CB 3.44Å; D160-D164 VanDerWaalsContact O-CG 3.31Å; D160-D164 PolarHBondContact O-N 3.15Å
161	A	95.6	Very high	88.2	Confident	7 Å²	7	50.1 Å²	50.1	6%	0.058	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-39.5	177.3	0	0	0	0	0	113.3	L107 L110 L111 S159 F165	L107-A161 HydrophobicContact CD1-CB 4.25Å; L107-A161 WeakPolarHBondContact CD1-O 3.37Å; L110-A161 HydrophobicContact CD2-CB 3.49Å; L110-A161 VanDerWaalsContact CD2-CB 3.49Å; L110-A161 HydrophobicContact CG-CB 3.99Å; L111-A161 HydrophobicContact CD2-CB 3.77Å; S159-A161 PolarHBondContact O-N 3.32Å; A161-F165 WeakPolarHBondContact O-CB 3.33Å; A161-F165 PolarHBondContact O-N 3.25Å
162	V	95.1	Very high	86.5	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.018	27%	0.27	C	S	.	.	H	α-helix	trans	-75.6	-41.4	176.6	174.4	0	0	0	0	110.6	L107 L111 I156 S159 D160 F165 L166 Y249	L107-V162 HydrophobicContact CD1-CG2 4.43Å; L111-V162 HydrophobicContact CD1-CG2 4.31Å; L111-V162 HydrophobicContact CD2-CG2 4.18Å; I156-V162 WeakPolarHBondContact O-CG2 3.34Å; S159-V162 PolarHBondContact O-N 3.05Å; D160-V162 VanDerWaalsContact C-N 3.31Å; D160-V162 PolarHBondContact O-N 3.09Å; V162-F165 PolarHBondContact O-N 3.46Å; V162-L166 HydrophobicContact CG1-CD1 3.94Å; V162-L166 HydrophobicContact CG1-CG 4.36Å; V162-L166 WeakPolarHBondContact O-CG 3.25Å; V162-L166 PolarHBondContact O-N 2.8Å; V162-Y249 WeakPolarHBondContact CG1-OH 3.14Å
163	Q	92.1	Very high	84.9	Confident	53 Å²	53	52.2 Å²	52.2	25%	0.248	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-47.8	177	-69.1	-69.8	2.7	0	0	112	S159 D160 F165 L166 T167 Y249	S159-Q163 PolarHBondContact O-N 3.34Å; S159-Q163 VanDerWaalsContact O-N 3.09Å; D160-Q163 PolarHBondContact O-N 2.91Å; Q163-F165 VanDerWaalsContact C-N 3.31Å; Q163-F165 PolarHBondContact O-N 3.08Å; Q163-L166 PolarHBondContact O-N 2.73Å; Q163-L166 VanDerWaalsContact O-N 3.12Å; Q163-T167 PolarHBondContact O-N 2.67Å; Q163-T167 PolarHBondContact O-OG1 2.85Å; Q163-Y249 VanDerWaalsContact NE2-CE1 3.34Å
164	D	92.6	Very high	83.1	Confident	118 Å²	118	56.5 Å²	56.5	63%	0.631	30%	0.298	S	S	*	.	H	α-helix	trans	-61	-42.1	175.3	-74.6	-13.2	0	0	0	111.2	D160 L166 T167	D160-D164 WeakPolarHBondContact O-CB 3.44Å; D160-D164 VanDerWaalsContact O-CG 3.31Å; D160-D164 PolarHBondContact O-N 3.15Å; D164-L166 VanDerWaalsContact C-N 3.26Å; D164-L166 PolarHBondContact O-N 2.88Å; D164-T167 PolarHBondContact O-N 2.95Å
165	F	94.6	Very high	81.7	Confident	15 Å²	15	53.9 Å²	53.9	7%	0.066	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-31.5	176.6	174.5	-98.6	0	0	0	112.8	I89 R99 E103 F104 L107 L147 A161 V162 Q163	I89-F165 HydrophobicContact CD1-CE1 3.53Å; I89-F165 HydrophobicContact CD1-CZ 3.73Å; R99-F165 HydrophobicContact CB-CE2 4.05Å; R99-F165 HydrophobicContact CB-CZ 3.99Å; R99-F165 HydrophobicContact CG-CD2 4.33Å; R99-F165 HydrophobicContact CG-CE1 4.35Å; R99-F165 HydrophobicContact CG-CE2 3.66Å; R99-F165 HydrophobicContact CG-CZ 3.68Å; R99-F165 PolarHBondContact NE-O 3.41Å; R99-F165 PolarHBondContact NH2-O 3.3Å; E103-F165 HydrophobicContact CB-CE2 4.09Å; F104-F165 HydrophobicContact CD1-CE1 4.47Å; F104-F165 HydrophobicContact CD1-CE2 4.4Å; F104-F165 AromaticContact CD1-CZ 3.66Å; F104-F165 HydrophobicContact CD1-CZ 3.66Å; F104-F165 HydrophobicContact CD2-CE2 4.34Å; F104-F165 HydrophobicContact CD2-CZ 4.08Å; F104-F165 HydrophobicContact CE1-CE1 4.31Å; F104-F165 AromaticContact CE1-CZ 3.71Å; F104-F165 HydrophobicContact CE1-CZ 3.71Å; F104-F165 HydrophobicContact CE2-CZ 4.09Å; F104-F165 HydrophobicContact CG-CE2 4.2Å; F104-F165 AromaticContact CG-CZ 3.88Å; F104-F165 HydrophobicContact CG-CZ 3.88Å; F104-F165 AromaticContact CZ-CZ 3.92Å; F104-F165 HydrophobicContact CZ-CZ 3.92Å; L107-F165 HydrophobicContact CB-CD2 3.95Å; L107-F165 HydrophobicContact CB-CE2 4.4Å; L107-F165 HydrophobicContact CB-CG 4.32Å; L107-F165 HydrophobicContact CD1-CB 3.96Å; L107-F165 HydrophobicContact CD1-CG 4.36Å; L107-F165 HydrophobicContact CD2-CB 4.09Å; L107-F165 HydrophobicContact CD2-CD1 3.66Å; L107-F165 HydrophobicContact CD2-CD2 3.96Å; L107-F165 HydrophobicContact CD2-CE1 4Å; L107-F165 HydrophobicContact CD2-CE2 4.28Å; L107-F165 HydrophobicContact CD2-CG 3.62Å; L107-F165 HydrophobicContact CD2-CZ 4.3Å; L107-F165 HydrophobicContact CG-CB 4.43Å; L107-F165 HydrophobicContact CG-CD2 4.42Å; L107-F165 HydrophobicContact CG-CG 4.3Å; L147-F165 HydrophobicContact CD1-CE1 4.3Å; L147-F165 HydrophobicContact CD2-CE1 4.11Å; A161-F165 WeakPolarHBondContact O-CB 3.33Å; A161-F165 PolarHBondContact O-N 3.25Å; V162-F165 PolarHBondContact O-N 3.46Å; Q163-F165 VanDerWaalsContact C-N 3.31Å; Q163-F165 PolarHBondContact O-N 3.08Å
166	L	92	Very high	80.7	Confident	1 Å²	1	54.4 Å²	54.4	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-85.3	-11.9	177.8	-65.6	176.2	0	0	0	113.4	I89 L96 C97 V162 Q163 D164 V246 Y249	I89-L166 HydrophobicContact CG2-CD2 4.08Å; L96-L166 HydrophobicContact CD1-CD1 4.16Å; L96-L166 HydrophobicContact CD1-CD2 4.07Å; C97-L166 VanDerWaalsContact CB-O 3.27Å; C97-L166 WeakPolarHBondContact CB-O 3.38Å; V162-L166 HydrophobicContact CG1-CD1 3.94Å; V162-L166 HydrophobicContact CG1-CG 4.36Å; V162-L166 WeakPolarHBondContact O-CG 3.25Å; V162-L166 PolarHBondContact O-N 2.8Å; Q163-L166 PolarHBondContact O-N 2.73Å; Q163-L166 VanDerWaalsContact O-N 3.12Å; D164-L166 VanDerWaalsContact C-N 3.26Å; D164-L166 PolarHBondContact O-N 2.88Å; L166-V246 HydrophobicContact CB-CG1 4.22Å; L166-V246 WeakPolarHBondContact O-CG1 3.1Å; L166-Y249 HydrophobicContact CD1-CD1 3.71Å; L166-Y249 HydrophobicContact CD1-CD2 3.43Å; L166-Y249 VanDerWaalsContact CD1-CD2 3.43Å; L166-Y249 HydrophobicContact CD1-CE1 3.75Å; L166-Y249 HydrophobicContact CD1-CE2 3.52Å; L166-Y249 HydrophobicContact CD1-CG 3.55Å
167	T	87.6	Confident	80.4	Confident	71 Å²	71	58.3 Å²	58.3	44%	0.436	33%	0.333	S	S	.	.	S	Bend	trans	-93.3	115.1	-178.3	-57.7	0	0	0	0	111.6	R99 Q163 D164	R99-T167 PolarHBondContact NH2-O 2.85Å; Q163-T167 PolarHBondContact O-N 2.67Å; Q163-T167 PolarHBondContact O-OG1 2.85Å; D164-T167 PolarHBondContact O-N 2.95Å
168	D	79	Confident	80.3	Confident	18 Å²	18	58.4 Å²	58.4	10%	0.096	33%	0.334	C	S	.	.			trans	-60.1	141.5	179.1	-82.3	-28.3	0	0	0	112.6	C97 S98 R99 I173 K196 H242	C97-D168 VanDerWaalsContact CB-OD1 3.22Å; C97-D168 WeakPolarHBondContact CB-OD1 3.34Å; S98-D168 PolarHBondContact N-OD1 3.41Å; R99-D168 IonicContact CZ-OD1 2.78Å; R99-D168 IonicContact NH1-OD1 3.29Å; R99-D168 PolarHBondContact NH1-OD1 2.8Å; R99-D168 IonicContact NH2-OD1 3.81Å; D168-I173 HydrophobicContact CB-CG1 4.14Å; D168-K196 VanDerWaalsContact OD2-CD 3.32Å; D168-K196 WeakPolarHBondContact OD2-CD 3.19Å; D168-K196 WeakPolarHBondContact OD2-CE 3.41Å; D168-K196 IonicContact OD2-NZ 3.54Å; D168-K196 PolarHBondContact OD2-NZ 2.85Å; D168-H242 IonicContact OD2-CE1 3.33Å
169	T	69.6	Low	80.4	Confident	66 Å²	66	58.9 Å²	58.9	41%	0.405	34%	0.339	S	S	.	.			trans	-77.6	151.3	172.5	71.2	0	0	0	0	110.5	D171 D172 I173	T169-D171 PolarHBondContact O-N 2.81Å; T169-D172 PolarHBondContact O-N 2.99Å; T169-D172 PolarHBondContact OG1-OD2 3.21Å; T169-I173 WeakPolarHBondContact O-CG1 3.31Å; T169-I173 PolarHBondContact O-N 3.29Å
170	E	60.7	Low	80.5	Confident	175 Å²	175	58.5 Å²	58.5	82%	0.818	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	-34.9	-174.9	-68.9	-173.2	162.9	0	0	114	D172	E170-D172 VanDerWaalsContact C-N 3.33Å; E170-D172 PolarHBondContact O-N 2.77Å
171	D	58.2	Low	80.6	Confident	104 Å²	104	55 Å²	55	56%	0.556	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-29.1	177.9	-73.8	-21.1	0	0	0	113.4	R79 T169 S174	R79-D171 IonicContact CZ-OD2 3.79Å; R79-D171 IonicContact NE-OD2 3.58Å; R79-D171 IonicContact NH2-OD2 2.63Å; R79-D171 PolarHBondContact NH2-OD2 2.97Å; T169-D171 PolarHBondContact O-N 2.81Å; D171-S174 PolarHBondContact O-OG 2.83Å
172	D	58.5	Low	80.6	Confident	35 Å²	35	54.7 Å²	54.7	19%	0.187	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-11.6	-175.2	-59.5	-42.4	0	0	0	113.1	R79 T169 E170 S174	R79-D172 IonicContact NH1-OD1 3.78Å; R79-D172 PolarHBondContact NH1-OD1 2.78Å; R79-D172 IonicContact NH1-OD2 3.44Å; T169-D172 PolarHBondContact O-N 2.99Å; T169-D172 PolarHBondContact OG1-OD2 3.21Å; E170-D172 VanDerWaalsContact C-N 3.33Å; E170-D172 PolarHBondContact O-N 2.77Å; D172-S174 PolarHBondContact O-N 3.03Å
173	I	59	Low	80.7	Confident	38 Å²	38	57.2 Å²	57.2	20%	0.195	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-20	-179.9	-58.9	178	0	0	0	111.6	D168 T169 K196	D168-I173 HydrophobicContact CB-CG1 4.14Å; T169-I173 WeakPolarHBondContact O-CG1 3.31Å; T169-I173 PolarHBondContact O-N 3.29Å; I173-K196 HydrophobicContact CG2-CB 3.84Å
174	S	57.1	Low	80.8	Confident	92 Å²	92	56.1 Å²	56.1	64%	0.643	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-13	-165.1	68.3	0	0	0	0	116.4	D171 D172	D171-S174 PolarHBondContact O-OG 2.83Å; D172-S174 PolarHBondContact O-N 3.03Å
175	A	63.8	Low	81	Confident	60 Å²	60	50.9 Å²	50.9	50%	0.496	29%	0.292	S	S	.	.	S	Bend	trans	-99.1	-22.1	-159.3	0	0	0	0	0	116.5
176	S	72.3	Confident	80.9	Confident	68 Å²	68	51 Å²	51	48%	0.476	29%	0.294	S	S	.	.			trans	-146.3	138.5	-176.8	-61.1	0	0	0	0	112.7
177	P	87.8	Confident	80.9	Confident	83 Å²	83	55.6 Å²	55.6	54%	0.539	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	152.9	170	-19.8	31.7	0	0	0	111.5	S193 V194	P177-S193 WeakPolarHBondContact CB-OG 3.49Å; P177-V194 CarbonylContact C-O 3.58Å; P177-V194 WeakPolarHBondContact CA-O 3.26Å
178	V	90.8	Very high	81.2	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.012	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	145	173.8	64.4	0	0	0	0	109.3	Q95 I180 S193 V194 K196	Q95-V178 HydrophobicContact CB-CG2 3.79Å; V178-I180 HydrophobicContact CG1-CD1 3.97Å; V178-I180 HydrophobicContact CG1-CG1 4.29Å; V178-S193 WeakPolarHBondContact O-CA 3.31Å; V178-V194 PolarHBondContact N-O 2.83Å; V178-V194 PolarHBondContact O-N 3.24Å; V178-K196 HydrophobicContact CB-CG 4.1Å; V178-K196 HydrophobicContact CG1-CG 3.83Å
179	D	94.1	Very high	81.9	Confident	91 Å²	91	60.1 Å²	60.1	49%	0.487	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.7	173.8	-77.6	-26.3	0	0	0	110.8	T191 S193	D179-T191 HydrophobicContact CB-CG2 3.63Å; D179-S193 WeakPolarHBondContact OD1-CB 3.32Å
180	I	95.4	Very high	83.1	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	118	172.7	-57.4	-59	0	0	0	108.8	V178 V182 T191 V192 V194 P241 H242 Y245 L257	V178-I180 HydrophobicContact CG1-CD1 3.97Å; V178-I180 HydrophobicContact CG1-CG1 4.29Å; I180-V182 HydrophobicContact CG2-CG2 4.16Å; I180-T191 CarbonylContact O-C 3.54Å; I180-T191 WeakPolarHBondContact O-CA 3.28Å; I180-V192 PolarHBondContact N-O 2.83Å; I180-V192 PolarHBondContact O-N 2.82Å; I180-V194 HydrophobicContact CB-CG2 4.45Å; I180-V194 HydrophobicContact CG1-CG2 3.62Å; I180-P241 HydrophobicContact CG2-CB 4.19Å; I180-H242 HydrophobicContact CD1-CB 4.1Å; I180-Y245 HydrophobicContact CD1-CD2 4.15Å; I180-Y245 HydrophobicContact CD1-CE2 3.98Å; I180-L257 HydrophobicContact CG2-CD1 3.46Å; I180-L257 VanDerWaalsContact CG2-CD1 3.46Å
181	K	95.8	Very high	84.8	Confident	54 Å²	54	52.2 Å²	52.2	24%	0.235	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	131.9	175.3	-66.3	178.3	-175.5	171.2	0	110	G93 V189 S190 T191 Y245 T255	G93-K181 PolarHBondContact O-NZ 3.3Å; K181-V189 HydrophobicContact CB-CG1 3.72Å; K181-V189 HydrophobicContact CD-CG1 4.3Å; K181-V189 HydrophobicContact CG-CG1 4.12Å; K181-S190 CarbonylContact C-O 3.59Å; K181-S190 WeakPolarHBondContact CA-O 3.4Å; K181-T191 HydrophobicContact CG-CG2 4.41Å; K181-Y245 WeakPolarHBondContact CA-OH 3.46Å; K181-Y245 WeakPolarHBondContact CB-OH 3.49Å; K181-Y245 PolarHBondContact N-OH 3.2Å; K181-Y245 PolarHBondContact O-OH 2.99Å; K181-T255 VanDerWaalsContact O-CB 3.31Å; K181-T255 WeakPolarHBondContact O-CB 3.27Å; K181-T255 PolarHBondContact O-OG1 3.06Å
182	V	96.9	Very high	86.6	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125	177.3	-175.6	0	0	0	0	108.5	I180 L184 S190 V203 L207 L223 L257 V259	I180-V182 HydrophobicContact CG2-CG2 4.16Å; V182-L184 PolarHBondContact O-N 2.83Å; V182-S190 PolarHBondContact N-O 2.98Å; V182-S190 PolarHBondContact O-N 2.63Å; V182-V203 HydrophobicContact CG2-CG1 4.19Å; V182-L207 HydrophobicContact CB-CD1 4.04Å; V182-L207 HydrophobicContact CG1-CD1 3.91Å; V182-L207 HydrophobicContact CG2-CD1 4.06Å; V182-L223 HydrophobicContact CG1-CD2 3.77Å; V182-L223 HydrophobicContact CG2-CD2 4.34Å; V182-L257 HydrophobicContact CG1-CB 4.44Å; V182-L257 HydrophobicContact CG2-CB 4.21Å; V182-L257 HydrophobicContact CG2-CD1 4.46Å; V182-V259 HydrophobicContact CG1-CG2 3.9Å
183	M	96.2	Very high	88.3	Confident	56 Å²	56	48.8 Å²	48.8	28%	0.276	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	120.9	174.8	-176.4	177	-70.2	0	0	109.4	T255 L257 C258 V259	M183-T255 HydrophobicContact CB-CG2 4.09Å; M183-L257 PolarHBondContact N-O 3.2Å; M183-C258 HydrophobicContact CB-CB 4.03Å; M183-C258 CarbonylContact O-C 3.49Å; M183-C258 WeakPolarHBondContact O-CA 3.5Å; M183-C258 WeakPolarHBondContact O-CB 3.44Å; M183-V259 PolarHBondContact O-N 3.44Å
184	L	95.8	Very high	90	Very high	30 Å²	30	47.6 Å²	47.6	16%	0.157	28%	0.281	C	S	.	.			trans	-80.6	161.4	173	-59.2	-176.8	0	0	0	109.9	V182 D186 H187 E188 V259 F281	V182-L184 PolarHBondContact O-N 2.83Å; L184-D186 VanDerWaalsContact CB-OD1 3.3Å; L184-D186 WeakPolarHBondContact CB-OD1 3.39Å; L184-D186 PolarHBondContact O-N 2.88Å; L184-D186 VanDerWaalsContact O-N 3.14Å; L184-H187 WeakPolarHBondContact O-CA 3.47Å; L184-H187 PolarHBondContact O-N 2.72Å; L184-E188 WeakPolarHBondContact CB-O 3.33Å; L184-E188 HydrophobicContact CD1-CB 4.39Å; L184-E188 PolarHBondContact N-O 3.03Å; L184-V259 HydrophobicContact CD2-CB 4.42Å; L184-V259 HydrophobicContact CD2-CG2 3.91Å; L184-F281 HydrophobicContact CB-CE1 4.47Å; L184-F281 HydrophobicContact CB-CZ 4.44Å; L184-F281 HydrophobicContact CD1-CZ 4.38Å
185	P	95	Very high	91.7	Very high	8 Å²	8	49.5 Å²	49.5	5%	0.052	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.3	-176.6	-27.3	38.9	0	0	0	113.7	H187 V259 F281 Y284	P185-H187 PolarHBondContact O-N 2.77Å; P185-V259 HydrophobicContact CG-CB 4.39Å; P185-V259 HydrophobicContact CG-CG1 4.27Å; P185-V259 WeakPolarHBondContact CG-O 3.28Å; P185-F281 HydrophobicContact CB-CB 3.88Å; P185-F281 HydrophobicContact CB-CD1 4.08Å; P185-F281 HydrophobicContact CB-CG 4.01Å; P185-F281 WeakPolarHBondContact CB-O 3.49Å; P185-F281 HydrophobicContact CG-CB 3.71Å; P185-F281 HydrophobicContact CG-CD1 3.96Å; P185-F281 HydrophobicContact CG-CD2 3.88Å; P185-F281 HydrophobicContact CG-CE2 4.49Å; P185-F281 HydrophobicContact CG-CG 3.58Å; P185-Y284 WeakPolarHBondContact O-CB 3.47Å
186	D	92.9	Very high	92.9	Very high	18 Å²	18	47.1 Å²	47.1	10%	0.096	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	15.7	175.2	62.7	-5.4	0	0	0	114.2	L184 E188 R280 Y284	L184-D186 VanDerWaalsContact CB-OD1 3.3Å; L184-D186 WeakPolarHBondContact CB-OD1 3.39Å; L184-D186 PolarHBondContact O-N 2.88Å; L184-D186 VanDerWaalsContact O-N 3.14Å; D186-E188 PolarHBondContact O-N 2.78Å; D186-E188 PolarHBondContact OD1-N 2.91Å; D186-R280 IonicContact OD2-CZ 3.95Å; D186-R280 VanDerWaalsContact OD2-CZ 3.28Å; D186-R280 IonicContact OD2-NE 2.68Å; D186-R280 PolarHBondContact OD2-NE 3.28Å; D186-R280 IonicContact OD2-NH2 3.13Å; D186-R280 PolarHBondContact OD2-NH2 3.08Å; D186-Y284 HydrophobicContact CB-CD2 3.35Å; D186-Y284 HydrophobicContact CB-CE2 3.45Å; D186-Y284 VanDerWaalsContact CB-CE2 3.45Å; D186-Y284 HydrophobicContact CB-CG 3.94Å
187	H	92.3	Very high	93.8	Very high	98 Å²	98	46.7 Å²	46.7	45%	0.454	25%	0.253	S	S	.	.	S	Bend	trans	68.1	3.8	-178.8	-59.3	-79.9	0	0	0	115.2	L184 P185 D288	L184-H187 WeakPolarHBondContact O-CA 3.47Å; L184-H187 PolarHBondContact O-N 2.72Å; P185-H187 PolarHBondContact O-N 2.77Å; H187-D288 IonicContact CE1-OD1 3.96Å; H187-D288 IonicContact CE1-OD2 2.71Å; H187-D288 PolarHBondContact CE1-OD2 3.07Å; H187-D288 IonicContact NE2-OD1 3.56Å; H187-D288 PolarHBondContact NE2-OD1 3.26Å; H187-D288 IonicContact NE2-OD2 3.69Å; H187-D288 PolarHBondContact NE2-OD2 3.29Å
188	E	93.8	Very high	94.1	Very high	119 Å²	119	43.8 Å²	43.8	56%	0.556	23%	0.234	S	C	*	.			trans	-69.2	147	169.5	-67.8	-165.5	176.4	0	0	111	L184 D186	L184-E188 WeakPolarHBondContact CB-O 3.33Å; L184-E188 HydrophobicContact CD1-CB 4.39Å; L184-E188 PolarHBondContact N-O 3.03Å; D186-E188 PolarHBondContact O-N 2.78Å; D186-E188 PolarHBondContact OD1-N 2.91Å
189	V	94.6	Very high	94.5	Very high	65 Å²	65	46.2 Å²	46.2	39%	0.394	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	112.4	178.1	179.6	0	0	0	0	109.6	K181	K181-V189 HydrophobicContact CB-CG1 3.72Å; K181-V189 HydrophobicContact CD-CG1 4.3Å; K181-V189 HydrophobicContact CG-CG1 4.12Å
190	S	95.2	Very high	94.7	Very high	19 Å²	19	41.9 Å²	41.9	13%	0.133	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.8	175.3	-172.5	0	0	0	0	110.6	K181 V182 L207 R210	K181-S190 CarbonylContact C-O 3.59Å; K181-S190 WeakPolarHBondContact CA-O 3.4Å; V182-S190 PolarHBondContact N-O 2.98Å; V182-S190 PolarHBondContact O-N 2.63Å; S190-L207 VanDerWaalsContact OG-CD2 3.26Å; S190-L207 WeakPolarHBondContact OG-CD2 3.38Å; S190-R210 PolarHBondContact OG-NH1 3.2Å
191	T	96.1	Very high	94.8	Very high	55 Å²	55	44.3 Å²	44.3	34%	0.337	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	118.7	-178.6	-57.5	0	0	0	0	111.6	D179 I180 K181 R210	D179-T191 HydrophobicContact CB-CG2 3.63Å; I180-T191 CarbonylContact O-C 3.54Å; I180-T191 WeakPolarHBondContact O-CA 3.28Å; K181-T191 HydrophobicContact CG-CG2 4.41Å; T191-R210 VanDerWaalsContact O-CZ 3.32Å; T191-R210 PolarHBondContact O-NH1 3.5Å; T191-R210 PolarHBondContact O-NH2 2.88Å
192	V	95.3	Very high	94.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	114.6	-175.8	177.8	0	0	0	0	109.6	I180 V194 V203 I206 L207	I180-V192 PolarHBondContact N-O 2.83Å; I180-V192 PolarHBondContact O-N 2.82Å; V192-V194 HydrophobicContact CG1-CG1 3.68Å; V192-V203 HydrophobicContact CB-CG1 4.4Å; V192-V203 HydrophobicContact CG1-CG1 4.31Å; V192-V203 HydrophobicContact CG2-CG1 4.4Å; V192-I206 HydrophobicContact CG1-CB 4.02Å; V192-I206 HydrophobicContact CG1-CD1 3.61Å; V192-I206 HydrophobicContact CG1-CG1 4.42Å; V192-I206 HydrophobicContact CG1-CG2 3.85Å; V192-I206 HydrophobicContact CG2-CG2 4.21Å; V192-L207 HydrophobicContact CG2-CD2 3.65Å; V192-L207 HydrophobicContact CG2-CG 3.99Å
193	S	95.1	Very high	94.9	Very high	68 Å²	68	44.3 Å²	44.3	48%	0.476	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112	175.5	167.3	0	0	0	0	110.1	P177 V178 D179	P177-S193 WeakPolarHBondContact CB-OG 3.49Å; V178-S193 WeakPolarHBondContact O-CA 3.31Å; D179-S193 WeakPolarHBondContact OD1-CB 3.32Å
194	V	94.3	Very high	95	Very high	12 Å²	12	42.1 Å²	42.1	7%	0.073	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	170.5	-177.2	-78.3	0	0	0	0	111.6	P177 V178 I180 V192 V202 V203 I206	P177-V194 CarbonylContact C-O 3.58Å; P177-V194 WeakPolarHBondContact CA-O 3.26Å; V178-V194 PolarHBondContact N-O 2.83Å; V178-V194 PolarHBondContact O-N 3.24Å; I180-V194 HydrophobicContact CB-CG2 4.45Å; I180-V194 HydrophobicContact CG1-CG2 3.62Å; V192-V194 HydrophobicContact CG1-CG1 3.68Å; V194-V202 HydrophobicContact CG1-CG1 4.23Å; V194-V203 HydrophobicContact CG1-CG2 4.35Å; V194-V203 HydrophobicContact CG2-CG2 4.04Å; V194-I206 HydrophobicContact CG1-CD1 3.53Å
195	K	92.1	Very high	95.1	Very high	132 Å²	132	44.9 Å²	44.9	57%	0.574	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	150.9	169.7	-63.9	-179.7	-179.1	178.3	0	109.1	S197 S198	K195-S197 PolarHBondContact O-N 2.89Å; K195-S197 VanDerWaalsContact O-N 3.15Å; K195-S198 PolarHBondContact N-OG 2.77Å; K195-S198 VanDerWaalsContact O-CB 3.23Å; K195-S198 WeakPolarHBondContact O-CB 3.45Å; K195-S198 PolarHBondContact O-N 2.98Å; K195-S198 PolarHBondContact O-OG 3.49Å
196	K	90.1	Very high	95.2	Very high	11 Å²	11	46.5 Å²	46.5	5%	0.048	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-27.4	175.4	-67	-179.9	174.2	179.3	0	113.3	D168 I173 V178 I240 H242	D168-K196 VanDerWaalsContact OD2-CD 3.32Å; D168-K196 WeakPolarHBondContact OD2-CD 3.19Å; D168-K196 WeakPolarHBondContact OD2-CE 3.41Å; D168-K196 IonicContact OD2-NZ 3.54Å; D168-K196 PolarHBondContact OD2-NZ 2.85Å; I173-K196 HydrophobicContact CG2-CB 3.84Å; V178-K196 HydrophobicContact CB-CG 4.1Å; V178-K196 HydrophobicContact CG1-CG 3.83Å; K196-I240 WeakPolarHBondContact O-CG2 3.3Å; K196-H242 WeakPolarHBondContact O-CB 3.14Å
197	S	90.8	Very high	95.4	Very high	59 Å²	59	46 Å²	46	41%	0.413	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-2.9	175	51.4	0	0	0	0	114.9	K195 N199	K195-S197 PolarHBondContact O-N 2.89Å; K195-S197 VanDerWaalsContact O-N 3.15Å; S197-N199 PolarHBondContact O-N 2.85Å
198	S	94.8	Very high	95.6	Very high	21 Å²	21	41.9 Å²	41.9	15%	0.147	23%	0.227	C	C	.	.			trans	-63.1	131.3	178.5	-72.2	0	0	0	0	109.9	K195 P241	K195-S198 PolarHBondContact N-OG 2.77Å; K195-S198 VanDerWaalsContact O-CB 3.23Å; K195-S198 WeakPolarHBondContact O-CB 3.45Å; K195-S198 PolarHBondContact O-N 2.98Å; K195-S198 PolarHBondContact O-OG 3.49Å; S198-P241 WeakPolarHBondContact O-CD 3.49Å
199	N	97.3	Very high	95.5	Very high	53 Å²	53	43 Å²	43	28%	0.283	23%	0.233	S	C	.	.			trans	-80.7	173	178.3	66.4	16.1	0	0	0	111.9	S197 Q201 V202 V203 P237 E239	S197-N199 PolarHBondContact O-N 2.85Å; N199-Q201 PolarHBondContact O-N 3.09Å; N199-Q201 PolarHBondContact OD1-N 2.74Å; N199-V202 PolarHBondContact O-N 3.09Å; N199-V202 WeakPolarHBondContact OD1-CG2 3.39Å; N199-V202 PolarHBondContact OD1-N 3.2Å; N199-V202 VanDerWaalsContact OD1-N 3.07Å; N199-V203 PolarHBondContact O-N 3.09Å; N199-P237 VanDerWaalsContact CB-O 3.32Å; N199-P237 WeakPolarHBondContact CB-O 3.17Å; N199-P237 VanDerWaalsContact CG-O 3.23Å; N199-E239 CarbonylContact C-O 3.51Å; N199-E239 WeakPolarHBondContact CA-O 3.48Å; N199-E239 WeakPolarHBondContact CB-O 3.31Å
200	A	98.4	Very high	95.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-58.1	-37.1	-179	0	0	0	0	0	111.7	V202 V203 W204 L223 L235 P237 E239 P241	A200-V202 PolarHBondContact O-N 2.87Å; A200-V203 PolarHBondContact O-N 3.36Å; A200-W204 WeakPolarHBondContact O-CB 3.39Å; A200-W204 PolarHBondContact O-N 2.93Å; A200-L223 HydrophobicContact CB-CD1 4.14Å; A200-L223 VanDerWaalsContact O-CD1 3.24Å; A200-L223 WeakPolarHBondContact O-CD1 3.32Å; A200-L235 HydrophobicContact CB-CB 4.2Å; A200-L235 HydrophobicContact CB-CD1 4.1Å; A200-P237 PolarHBondContact N-O 3.1Å; A200-E239 PolarHBondContact N-O 3.3Å; A200-P241 HydrophobicContact CB-CG 4.27Å
201	Q	98	Very high	95	Very high	53 Å²	53	46.1 Å²	46.1	25%	0.248	24%	0.24	C	C	.	.	H	α-helix	trans	-61	-44.7	179.3	-174.7	56.2	29.2	0	0	112.8	N199 V203 W204 E205 Y222 P237	N199-Q201 PolarHBondContact O-N 3.09Å; N199-Q201 PolarHBondContact OD1-N 2.74Å; Q201-V203 VanDerWaalsContact C-N 3.34Å; Q201-V203 PolarHBondContact O-N 3.34Å; Q201-W204 PolarHBondContact O-N 3.35Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.46Å; Q201-E205 PolarHBondContact NE2-OE1 3.43Å; Q201-E205 WeakPolarHBondContact O-CG 3.41Å; Q201-E205 PolarHBondContact O-N 3.34Å; Q201-Y222 PolarHBondContact OE1-OH 3.24Å; Q201-P237 HydrophobicContact CB-CB 4.16Å; Q201-P237 PolarHBondContact N-O 2.75Å
202	V	97.9	Very high	94.7	Very high	52 Å²	52	49.8 Å²	49.8	32%	0.315	26%	0.257	S	S	.	.	H	α-helix	trans	-62.7	-41.5	177.3	171.1	0	0	0	0	111.3	V194 N199 A200 I206	V194-V202 HydrophobicContact CG1-CG1 4.23Å; N199-V202 PolarHBondContact O-N 3.09Å; N199-V202 WeakPolarHBondContact OD1-CG2 3.39Å; N199-V202 PolarHBondContact OD1-N 3.2Å; N199-V202 VanDerWaalsContact OD1-N 3.07Å; A200-V202 PolarHBondContact O-N 2.87Å; V202-I206 HydrophobicContact CG1-CD1 4.34Å; V202-I206 WeakPolarHBondContact O-CG1 3.34Å; V202-I206 PolarHBondContact O-N 3.25Å
203	V	98.1	Very high	94.5	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-42	177.3	176.6	0	0	0	0	110.7	V182 V192 V194 N199 A200 Q201 I206 L207 L223 P241	V182-V203 HydrophobicContact CG2-CG1 4.19Å; V192-V203 HydrophobicContact CB-CG1 4.4Å; V192-V203 HydrophobicContact CG1-CG1 4.31Å; V192-V203 HydrophobicContact CG2-CG1 4.4Å; V194-V203 HydrophobicContact CG1-CG2 4.35Å; V194-V203 HydrophobicContact CG2-CG2 4.04Å; N199-V203 PolarHBondContact O-N 3.09Å; A200-V203 PolarHBondContact O-N 3.36Å; Q201-V203 VanDerWaalsContact C-N 3.34Å; Q201-V203 PolarHBondContact O-N 3.34Å; V203-I206 PolarHBondContact O-N 2.89Å; V203-L207 HydrophobicContact CG1-CD1 4.35Å; V203-L207 WeakPolarHBondContact O-CG 3.27Å; V203-L207 PolarHBondContact O-N 3.45Å; V203-L223 HydrophobicContact CB-CD1 3.91Å; V203-L223 HydrophobicContact CG1-CD1 3.89Å; V203-P241 HydrophobicContact CB-CG 4.47Å; V203-P241 HydrophobicContact CG2-CG 3.99Å
204	W	98.2	Very high	94.4	Very high	11 Å²	11	50 Å²	50	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-45.7	177.7	178.3	-119.8	0	0	0	112.3	A200 Q201 I206 L207 V208 L213 Q218 F221 Y222 L223 V259	A200-W204 WeakPolarHBondContact O-CB 3.39Å; A200-W204 PolarHBondContact O-N 2.93Å; Q201-W204 PolarHBondContact O-N 3.35Å; W204-I206 VanDerWaalsContact C-N 3.29Å; W204-I206 PolarHBondContact O-N 3.06Å; W204-L207 HydrophobicContact CE3-CB 4.35Å; W204-L207 HydrophobicContact CE3-CD1 4.44Å; W204-L207 WeakPolarHBondContact O-CB 3.37Å; W204-L207 PolarHBondContact O-N 3.4Å; W204-V208 HydrophobicContact CD2-CG2 3.86Å; W204-V208 HydrophobicContact CE3-CG2 4.4Å; W204-V208 HydrophobicContact CG-CG2 4.34Å; W204-V208 HydrophobicContact CH2-CG2 4.02Å; W204-V208 HydrophobicContact CZ2-CG2 3.44Å; W204-V208 VanDerWaalsContact CZ2-CG2 3.44Å; W204-V208 HydrophobicContact CZ3-CG2 4.47Å; W204-V208 WeakPolarHBondContact O-CG2 3.35Å; W204-V208 PolarHBondContact O-N 2.81Å; W204-L213 HydrophobicContact CH2-CD1 4.08Å; W204-L213 HydrophobicContact CZ2-CD1 4.41Å; W204-Q218 HydrophobicContact CZ2-CB 4.23Å; W204-Q218 WeakPolarHBondContact CZ2-O 3.36Å; W204-F221 HydrophobicContact CH2-CB 3.53Å; W204-F221 HydrophobicContact CZ2-CB 3.92Å; W204-F221 WeakPolarHBondContact CZ2-O 3.46Å; W204-Y222 HydrophobicContact CB-CD2 4.42Å; W204-Y222 HydrophobicContact CB-CE2 3.91Å; W204-Y222 AromaticContact CD1-CD2 3.65Å; W204-Y222 AromaticContact CD1-CE2 3.43Å; W204-Y222 VanDerWaalsContact CD1-CE2 3.43Å; W204-Y222 AromaticContact CD2-CD2 3.98Å; W204-Y222 HydrophobicContact CD2-CD2 3.98Å; W204-Y222 HydrophobicContact CD2-CE2 4.31Å; W204-Y222 AromaticContact CG-CD2 3.75Å; W204-Y222 HydrophobicContact CG-CD2 3.75Å; W204-Y222 AromaticContact CG-CE2 3.59Å; W204-Y222 HydrophobicContact CG-CE2 3.59Å; W204-Y222 AromaticContact NE1-CD2 3.78Å; W204-L223 HydrophobicContact CB-CD1 4.16Å; W204-L223 HydrophobicContact CB-CG 4.26Å; W204-L223 HydrophobicContact CE3-CD2 4.4Å; W204-L223 HydrophobicContact CE3-CG 4.29Å; W204-V259 HydrophobicContact CH2-CG1 4.24Å; W204-V259 HydrophobicContact CZ3-CG1 3.91Å; W204-V259 HydrophobicContact CZ3-CG2 3.87Å
205	E	97.6	Very high	94.2	Very high	87 Å²	87	53.3 Å²	53.3	41%	0.407	28%	0.284	S	S	.	.	H	α-helix	trans	-58.4	-40	178.5	-74.6	167.1	-172.7	0	0	112.6	Q201 V208 Q209	Q201-E205 WeakPolarHBondContact CG-OE1 3.46Å; Q201-E205 PolarHBondContact NE2-OE1 3.43Å; Q201-E205 WeakPolarHBondContact O-CG 3.41Å; Q201-E205 PolarHBondContact O-N 3.34Å; E205-V208 PolarHBondContact O-N 3.38Å; E205-Q209 WeakPolarHBondContact O-CG 3.46Å; E205-Q209 PolarHBondContact O-N 2.87Å; E205-Q209 VanDerWaalsContact O-N 3.16Å
206	I	97.5	Very high	94.3	Very high	43 Å²	43	51 Å²	51	22%	0.221	27%	0.272	C	S	.	.	H	α-helix	trans	-66.3	-39.6	176.1	-64.1	165.9	0	0	0	111	V192 V194 V202 V203 W204 R210	V192-I206 HydrophobicContact CG1-CB 4.02Å; V192-I206 HydrophobicContact CG1-CD1 3.61Å; V192-I206 HydrophobicContact CG1-CG1 4.42Å; V192-I206 HydrophobicContact CG1-CG2 3.85Å; V192-I206 HydrophobicContact CG2-CG2 4.21Å; V194-I206 HydrophobicContact CG1-CD1 3.53Å; V202-I206 HydrophobicContact CG1-CD1 4.34Å; V202-I206 WeakPolarHBondContact O-CG1 3.34Å; V202-I206 PolarHBondContact O-N 3.25Å; V203-I206 PolarHBondContact O-N 2.89Å; W204-I206 VanDerWaalsContact C-N 3.29Å; W204-I206 PolarHBondContact O-N 3.06Å; I206-R210 WeakPolarHBondContact O-CG 3.32Å; I206-R210 PolarHBondContact O-N 3.15Å
207	L	96.5	Very high	94.5	Very high	8 Å²	8	50.4 Å²	50.4	4%	0.042	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-42.4	177.6	-70.2	173.1	0	0	0	112.1	V182 S190 V192 V203 W204 Q209 R210 A211 L223 V259	V182-L207 HydrophobicContact CB-CD1 4.04Å; V182-L207 HydrophobicContact CG1-CD1 3.91Å; V182-L207 HydrophobicContact CG2-CD1 4.06Å; S190-L207 VanDerWaalsContact OG-CD2 3.26Å; S190-L207 WeakPolarHBondContact OG-CD2 3.38Å; V192-L207 HydrophobicContact CG2-CD2 3.65Å; V192-L207 HydrophobicContact CG2-CG 3.99Å; V203-L207 HydrophobicContact CG1-CD1 4.35Å; V203-L207 WeakPolarHBondContact O-CG 3.27Å; V203-L207 PolarHBondContact O-N 3.45Å; W204-L207 HydrophobicContact CE3-CB 4.35Å; W204-L207 HydrophobicContact CE3-CD1 4.44Å; W204-L207 WeakPolarHBondContact O-CB 3.37Å; W204-L207 PolarHBondContact O-N 3.4Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 3.19Å; L207-R210 PolarHBondContact O-N 3.33Å; L207-R210 VanDerWaalsContact O-N 3.15Å; L207-A211 WeakPolarHBondContact O-CB 3.22Å; L207-A211 PolarHBondContact O-N 2.95Å; L207-L223 HydrophobicContact CD1-CD2 3.71Å; L207-V259 HydrophobicContact CD1-CG2 4.1Å
208	V	95.3	Very high	94.7	Very high	10 Å²	10	50.2 Å²	50.2	6%	0.061	26%	0.262	C	S	.	.	H	α-helix	trans	-55.8	-47	175.7	163.1	0	0	0	0	110.9	W204 E205 R210 A211 N212 L213 Q218	W204-V208 HydrophobicContact CD2-CG2 3.86Å; W204-V208 HydrophobicContact CE3-CG2 4.4Å; W204-V208 HydrophobicContact CG-CG2 4.34Å; W204-V208 HydrophobicContact CH2-CG2 4.02Å; W204-V208 HydrophobicContact CZ2-CG2 3.44Å; W204-V208 VanDerWaalsContact CZ2-CG2 3.44Å; W204-V208 HydrophobicContact CZ3-CG2 4.47Å; W204-V208 WeakPolarHBondContact O-CG2 3.35Å; W204-V208 PolarHBondContact O-N 2.81Å; E205-V208 PolarHBondContact O-N 3.38Å; V208-R210 VanDerWaalsContact C-N 3.34Å; V208-R210 PolarHBondContact O-N 3.41Å; V208-A211 PolarHBondContact O-N 3.21Å; V208-N212 PolarHBondContact O-N 3.12Å; V208-L213 HydrophobicContact CG1-CB 4.23Å; V208-L213 HydrophobicContact CG2-CD1 4.49Å; V208-L213 PolarHBondContact O-N 2.86Å; V208-L213 VanDerWaalsContact O-N 3.17Å; V208-Q218 HydrophobicContact CG1-CB 4.09Å; V208-Q218 HydrophobicContact CG2-CB 3.76Å
209	Q	92.5	Very high	94.7	Very high	144 Å²	144	53.2 Å²	53.2	67%	0.673	27%	0.274	S	S	*	.	H	α-helix	trans	-61.6	-41	177.6	-71.8	175.3	3.1	0	0	112.2	E205 L207 N212	E205-Q209 WeakPolarHBondContact O-CG 3.46Å; E205-Q209 PolarHBondContact O-N 2.87Å; E205-Q209 VanDerWaalsContact O-N 3.16Å; L207-Q209 VanDerWaalsContact C-N 3.31Å; L207-Q209 PolarHBondContact O-N 3.19Å; Q209-N212 PolarHBondContact O-N 3.21Å; Q209-N212 PolarHBondContact O-OD1 3.44Å
210	R	91.2	Very high	94.7	Very high	124 Å²	124	50.9 Å²	50.9	47%	0.468	26%	0.261	S	S	.	.	H	α-helix	trans	-71.4	-36.3	179	-71.1	173.9	-179.1	-174.9	-0.6	113.2	S190 T191 I206 L207 V208 N212	S190-R210 PolarHBondContact OG-NH1 3.2Å; T191-R210 VanDerWaalsContact O-CZ 3.32Å; T191-R210 PolarHBondContact O-NH1 3.5Å; T191-R210 PolarHBondContact O-NH2 2.88Å; I206-R210 WeakPolarHBondContact O-CG 3.32Å; I206-R210 PolarHBondContact O-N 3.15Å; L207-R210 PolarHBondContact O-N 3.33Å; L207-R210 VanDerWaalsContact O-N 3.15Å; V208-R210 VanDerWaalsContact C-N 3.34Å; V208-R210 PolarHBondContact O-N 3.41Å; R210-N212 PolarHBondContact O-N 3.16Å
211	A	88.3	Confident	94.6	Very high	25 Å²	25	51 Å²	51	21%	0.207	26%	0.262	C	S	.	.	H	α-helix	trans	-80.1	-5.4	178	0	0	0	0	0	113	L207 V208 L213	L207-A211 WeakPolarHBondContact O-CB 3.22Å; L207-A211 PolarHBondContact O-N 2.95Å; V208-A211 PolarHBondContact O-N 3.21Å; A211-L213 HydrophobicContact CB-CD1 4.37Å; A211-L213 HydrophobicContact CB-CG 3.91Å; A211-L213 PolarHBondContact O-N 3.49Å
212	N	88.9	Confident	94.6	Very high	132 Å²	132	49.3 Å²	49.3	71%	0.706	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	38.3	-173.7	-61.1	-50	0	0	0	112.9	V208 Q209 R210	V208-N212 PolarHBondContact O-N 3.12Å; Q209-N212 PolarHBondContact O-N 3.21Å; Q209-N212 PolarHBondContact O-OD1 3.44Å; R210-N212 PolarHBondContact O-N 3.16Å
213	L	91.7	Very high	94.7	Very high	13 Å²	13	46.8 Å²	46.8	7%	0.068	24%	0.238	C	C	.	.			trans	-74.5	135.4	175.3	-61.9	178.4	0	0	0	109.8	W204 V208 A211 T217 Q218 Q277	W204-L213 HydrophobicContact CH2-CD1 4.08Å; W204-L213 HydrophobicContact CZ2-CD1 4.41Å; V208-L213 HydrophobicContact CG1-CB 4.23Å; V208-L213 HydrophobicContact CG2-CD1 4.49Å; V208-L213 PolarHBondContact O-N 2.86Å; V208-L213 VanDerWaalsContact O-N 3.17Å; A211-L213 HydrophobicContact CB-CD1 4.37Å; A211-L213 HydrophobicContact CB-CG 3.91Å; A211-L213 PolarHBondContact O-N 3.49Å; L213-T217 HydrophobicContact CD2-CG2 3.93Å; L213-Q218 HydrophobicContact CB-CB 4.31Å; L213-Q277 HydrophobicContact CD2-CB 4.21Å
214	T	92.7	Very high	94.7	Very high	60 Å²	60	47.2 Å²	47.2	37%	0.368	24%	0.24	S	C	.	.			trans	-70.3	163.4	175.2	56.5	0	0	0	0	111.7	Y216 T217 Q218 E276	T214-Y216 PolarHBondContact O-N 3.36Å; T214-T217 PolarHBondContact O-N 3.5Å; T214-T217 VanDerWaalsContact O-N 3.14Å; T214-T217 PolarHBondContact OG1-N 3.04Å; T214-T217 PolarHBondContact OG1-OG1 3.02Å; T214-Q218 WeakPolarHBondContact O-CG 3.5Å; T214-Q218 PolarHBondContact O-N 2.86Å; T214-E276 VanDerWaalsContact CB-OE1 3.32Å; T214-E276 WeakPolarHBondContact CB-OE1 3.35Å; T214-E276 WeakPolarHBondContact CG2-OE1 3.42Å; T214-E276 PolarHBondContact N-OE2 3.35Å; T214-E276 VanDerWaalsContact N-OE2 3.11Å; T214-E276 PolarHBondContact OG1-OE1 2.9Å
215	A	91.3	Very high	94.6	Very high	81 Å²	81	47.2 Å²	47.2	67%	0.669	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-32.6	171	0	0	0	0	0	112.8
216	Y	92.4	Very high	94.4	Very high	82 Å²	82	44.9 Å²	44.9	32%	0.322	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-47.2	174.6	178.4	-103.2	0	0	0	112.1	T214 Q219 Y220 K268 T271 L272 P273	T214-Y216 PolarHBondContact O-N 3.36Å; Y216-Q219 VanDerWaalsContact O-CG 3.29Å; Y216-Q219 WeakPolarHBondContact O-CG 3.47Å; Y216-Q219 PolarHBondContact O-NE2 3.19Å; Y216-Y220 HydrophobicContact CD1-CE2 4.4Å; Y216-Y220 HydrophobicContact CE1-CE2 4.07Å; Y216-Y220 HydrophobicContact CE2-CE2 4.36Å; Y216-Y220 VanDerWaalsContact O-CE2 3.29Å; Y216-Y220 WeakPolarHBondContact O-CE2 3.49Å; Y216-K268 WeakPolarHBondContact OH-CE 3.34Å; Y216-K268 PolarHBondContact OH-NZ 3.45Å; Y216-T271 PolarHBondContact OH-OG1 2.88Å; Y216-L272 HydrophobicContact CE1-CD2 4.14Å; Y216-P273 HydrophobicContact CD1-CG 4.25Å
217	T	94.6	Very high	94	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-73.9	-36.2	-174.9	-57	0	0	0	0	113.3	L213 T214 Q219 Y220 F221 E276 A278	L213-T217 HydrophobicContact CD2-CG2 3.93Å; T214-T217 PolarHBondContact O-N 3.5Å; T214-T217 VanDerWaalsContact O-N 3.14Å; T214-T217 PolarHBondContact OG1-N 3.04Å; T214-T217 PolarHBondContact OG1-OG1 3.02Å; T217-Q219 PolarHBondContact O-N 2.94Å; T217-Q219 VanDerWaalsContact O-N 3.07Å; T217-Y220 PolarHBondContact O-N 2.83Å; T217-F221 HydrophobicContact CG2-CD2 4.44Å; T217-F221 HydrophobicContact CG2-CE2 4.15Å; T217-E276 WeakPolarHBondContact CB-OE2 3.43Å; T217-E276 WeakPolarHBondContact CG2-OE2 3.35Å; T217-E276 PolarHBondContact OG1-OE1 3.44Å; T217-E276 PolarHBondContact OG1-OE2 3.42Å; T217-A278 HydrophobicContact CG2-CB 3.59Å
218	Q	94.9	Very high	93	Very high	54 Å²	54	49.9 Å²	49.9	25%	0.252	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-61.6	-22.8	-172.6	68.5	171.1	-62.1	0	0	113.9	W204 V208 L213 T214 Y220 F221	W204-Q218 HydrophobicContact CZ2-CB 4.23Å; W204-Q218 WeakPolarHBondContact CZ2-O 3.36Å; V208-Q218 HydrophobicContact CG1-CB 4.09Å; V208-Q218 HydrophobicContact CG2-CB 3.76Å; L213-Q218 HydrophobicContact CB-CB 4.31Å; T214-Q218 WeakPolarHBondContact O-CG 3.5Å; T214-Q218 PolarHBondContact O-N 2.86Å; Q218-Y220 PolarHBondContact O-N 3.06Å; Q218-F221 PolarHBondContact O-N 3.48Å
219	Q	95	Very high	91.8	Very high	84 Å²	84	58.4 Å²	58.4	39%	0.393	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-70.9	-11.5	178.7	76.5	-168.6	-54.1	0	0	113.8	Y216 T217 R418	Y216-Q219 VanDerWaalsContact O-CG 3.29Å; Y216-Q219 WeakPolarHBondContact O-CG 3.47Å; Y216-Q219 PolarHBondContact O-NE2 3.19Å; T217-Q219 PolarHBondContact O-N 2.94Å; T217-Q219 VanDerWaalsContact O-N 3.07Å; Q219-R418 PolarHBondContact O-NH2 3.49Å
220	Y	96.9	Very high	91.2	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.016	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-101.3	8.7	-178.2	-57.1	-59.7	0	0	0	113.2	Y216 T217 Q218 R261 W262 L263 K268 L272 W425	Y216-Y220 HydrophobicContact CD1-CE2 4.4Å; Y216-Y220 HydrophobicContact CE1-CE2 4.07Å; Y216-Y220 HydrophobicContact CE2-CE2 4.36Å; Y216-Y220 VanDerWaalsContact O-CE2 3.29Å; Y216-Y220 WeakPolarHBondContact O-CE2 3.49Å; T217-Y220 PolarHBondContact O-N 2.83Å; Q218-Y220 PolarHBondContact O-N 3.06Å; Y220-R261 CarbonylContact O-C 3.6Å; Y220-R261 WeakPolarHBondContact O-CA 3.41Å; Y220-W262 CarbonylContact O-C 3.53Å; Y220-W262 PolarHBondContact O-N 3.04Å; Y220-L263 HydrophobicContact CD1-CB 3.97Å; Y220-L263 HydrophobicContact CD1-CD1 3.57Å; Y220-L263 HydrophobicContact CD1-CD2 4.12Å; Y220-L263 HydrophobicContact CD1-CG 4.09Å; Y220-L263 HydrophobicContact CE1-CD1 3.81Å; Y220-L263 HydrophobicContact CG-CB 4.36Å; Y220-L263 HydrophobicContact CG-CD1 4.45Å; Y220-L263 HydrophobicContact CG-CD2 4.21Å; Y220-K268 HydrophobicContact CE1-CG 4.14Å; Y220-K268 WeakPolarHBondContact OH-CE 3.31Å; Y220-L272 HydrophobicContact CD2-CD2 3.39Å; Y220-L272 HydrophobicContact CE2-CD2 3.64Å; Y220-L272 HydrophobicContact CG-CD2 4.24Å; Y220-W425 AromaticContact CE1-CH2 3.72Å; Y220-W425 HydrophobicContact CE1-CH2 3.72Å; Y220-W425 AromaticContact CE1-CZ3 3.79Å; Y220-W425 HydrophobicContact CE1-CZ3 3.79Å
221	F	97.8	Very high	91.3	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.013	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152	176	-63.3	-90.5	0	0	0	109	W204 T217 Q218 V259 R260 R261 A278 F281 I282	W204-F221 HydrophobicContact CH2-CB 3.53Å; W204-F221 HydrophobicContact CZ2-CB 3.92Å; W204-F221 WeakPolarHBondContact CZ2-O 3.46Å; T217-F221 HydrophobicContact CG2-CD2 4.44Å; T217-F221 HydrophobicContact CG2-CE2 4.15Å; Q218-F221 PolarHBondContact O-N 3.48Å; F221-V259 HydrophobicContact CB-CG1 4.19Å; F221-V259 HydrophobicContact CD1-CG1 4.38Å; F221-R260 VanDerWaalsContact CA-O 3.28Å; F221-R260 WeakPolarHBondContact CA-O 3.38Å; F221-R261 HydrophobicContact CD1-CB 4.42Å; F221-R261 HydrophobicContact CE1-CB 4.18Å; F221-A278 HydrophobicContact CE2-CB 3.64Å; F221-A278 HydrophobicContact CZ-CB 3.83Å; F221-F281 HydrophobicContact CD1-CD2 4.34Å; F221-F281 HydrophobicContact CE1-CB 3.75Å; F221-F281 HydrophobicContact CE1-CD2 4.22Å; F221-F281 HydrophobicContact CZ-CB 4.19Å; F221-I282 HydrophobicContact CE1-CG1 4.11Å; F221-I282 HydrophobicContact CZ-CD1 4.06Å; F221-I282 HydrophobicContact CZ-CG1 3.8Å
222	Y	98.3	Very high	91.6	Very high	17 Å²	17	51.2 Å²	51.2	7%	0.067	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	-178.4	172.3	-154.4	-116.5	0	0	0	111.8	Q201 W204 F224 K234 L235 P237 V259 R260	Q201-Y222 PolarHBondContact OE1-OH 3.24Å; W204-Y222 HydrophobicContact CB-CD2 4.42Å; W204-Y222 HydrophobicContact CB-CE2 3.91Å; W204-Y222 AromaticContact CD1-CD2 3.65Å; W204-Y222 AromaticContact CD1-CE2 3.43Å; W204-Y222 VanDerWaalsContact CD1-CE2 3.43Å; W204-Y222 AromaticContact CD2-CD2 3.98Å; W204-Y222 HydrophobicContact CD2-CD2 3.98Å; W204-Y222 HydrophobicContact CD2-CE2 4.31Å; W204-Y222 AromaticContact CG-CD2 3.75Å; W204-Y222 HydrophobicContact CG-CD2 3.75Å; W204-Y222 AromaticContact CG-CE2 3.59Å; W204-Y222 HydrophobicContact CG-CE2 3.59Å; W204-Y222 AromaticContact NE1-CD2 3.78Å; Y222-F224 WeakPolarHBondContact O-CD2 3.17Å; Y222-K234 HydrophobicContact CD1-CG 4.16Å; Y222-L235 HydrophobicContact CE1-CB 4.42Å; Y222-L235 VanDerWaalsContact CE1-O 3.31Å; Y222-L235 WeakPolarHBondContact CE1-O 3.49Å; Y222-P237 WeakPolarHBondContact OH-CA 3.33Å; Y222-V259 WeakPolarHBondContact O-CA 3.21Å; Y222-R260 PolarHBondContact N-O 3.37Å; Y222-R260 VanDerWaalsContact N-O 3.09Å; Y222-R260 PolarHBondContact O-N 2.98Å; Y222-R260 VanDerWaalsContact O-N 3.1Å
223	L	98.4	Very high	92	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	138.4	171.7	-65.2	177.5	0	0	0	111.8	V182 A200 V203 W204 L207 L235 C258 V259	V182-L223 HydrophobicContact CG1-CD2 3.77Å; V182-L223 HydrophobicContact CG2-CD2 4.34Å; A200-L223 HydrophobicContact CB-CD1 4.14Å; A200-L223 VanDerWaalsContact O-CD1 3.24Å; A200-L223 WeakPolarHBondContact O-CD1 3.32Å; V203-L223 HydrophobicContact CB-CD1 3.91Å; V203-L223 HydrophobicContact CG1-CD1 3.89Å; W204-L223 HydrophobicContact CB-CD1 4.16Å; W204-L223 HydrophobicContact CB-CG 4.26Å; W204-L223 HydrophobicContact CE3-CD2 4.4Å; W204-L223 HydrophobicContact CE3-CG 4.29Å; L207-L223 HydrophobicContact CD1-CD2 3.71Å; L223-L235 HydrophobicContact CB-CB 4.47Å; L223-L235 HydrophobicContact CB-CD1 3.99Å; L223-L235 HydrophobicContact CB-CG 4.37Å; L223-L235 PolarHBondContact O-N 2.78Å; L223-C258 CarbonylContact C-O 3.52Å; L223-C258 WeakPolarHBondContact CA-O 3.38Å; L223-V259 HydrophobicContact CD2-CG2 4.2Å
224	F	98.2	Very high	92.3	Very high	9 Å²	9	47.6 Å²	47.6	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	144.8	178	-74.7	-116.6	0	0	0	109.6	Y222 E232 R233 K234 L257 C258 R260 W262 F411	Y222-F224 WeakPolarHBondContact O-CD2 3.17Å; F224-E232 HydrophobicContact CB-CB 4.23Å; F224-E232 HydrophobicContact CD1-CB 4.18Å; F224-R233 CarbonylContact C-O 3.59Å; F224-R233 WeakPolarHBondContact CA-O 3.38Å; F224-R233 WeakPolarHBondContact CB-O 3.28Å; F224-R233 WeakPolarHBondContact CD1-O 3.41Å; F224-K234 HydrophobicContact CD1-CB 4.06Å; F224-K234 VanDerWaalsContact CD1-N 3.32Å; F224-K234 HydrophobicContact CE1-CB 3.65Å; F224-K234 HydrophobicContact CE1-CG 4.44Å; F224-K234 HydrophobicContact CE2-CB 4.19Å; F224-K234 HydrophobicContact CE2-CG 4.12Å; F224-K234 HydrophobicContact CG-CB 4.5Å; F224-K234 HydrophobicContact CZ-CB 3.71Å; F224-K234 HydrophobicContact CZ-CD 4.31Å; F224-K234 HydrophobicContact CZ-CG 4.02Å; F224-L257 WeakPolarHBondContact O-CA 3.33Å; F224-C258 PolarHBondContact N-O 3.01Å; F224-C258 PolarHBondContact O-N 3.26Å; F224-R260 HydrophobicContact CB-CG 4.1Å; F224-R260 HydrophobicContact CD1-CB 4.18Å; F224-R260 HydrophobicContact CD1-CG 4.12Å; F224-R260 HydrophobicContact CD2-CB 3.53Å; F224-R260 HydrophobicContact CD2-CG 3.96Å; F224-R260 HydrophobicContact CE1-CB 4.21Å; F224-R260 HydrophobicContact CE2-CB 3.6Å; F224-R260 HydrophobicContact CE2-CG 4.45Å; F224-R260 HydrophobicContact CG-CB 3.87Å; F224-R260 HydrophobicContact CG-CG 3.8Å; F224-R260 HydrophobicContact CZ-CB 3.94Å; F224-W262 HydrophobicContact CZ-CE3 4.04Å; F224-F411 HydrophobicContact CE1-CE2 4.21Å; F224-F411 AromaticContact CE1-CZ 3.87Å; F224-F411 HydrophobicContact CE1-CZ 3.87Å
225	E	96.6	Very high	92.5	Very high	11 Å²	11	44.8 Å²	44.8	5%	0.051	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.8	167.1	178.9	179.2	-141.8	0	0	109.5	V227 E232 R233 L235 L244 N248 C256	E225-V227 HydrophobicContact CB-CG1 4.44Å; E225-V227 HydrophobicContact CG-CG1 3.78Å; E225-V227 PolarHBondContact O-N 3.27Å; E225-E232 CarbonylContact O-C 3.55Å; E225-E232 WeakPolarHBondContact O-CA 3.21Å; E225-R233 HydrophobicContact CB-CG 4.11Å; E225-R233 PolarHBondContact N-O 3.02Å; E225-R233 PolarHBondContact O-N 2.77Å; E225-R233 IonicContact OE2-CZ 3.98Å; E225-R233 IonicContact OE2-NE 3.96Å; E225-R233 PolarHBondContact OE2-NE 2.91Å; E225-R233 IonicContact OE2-NH2 2.8Å; E225-R233 PolarHBondContact OE2-NH2 3.07Å; E225-L235 HydrophobicContact CB-CD2 3.83Å; E225-L244 HydrophobicContact CB-CD1 4.44Å; E225-N248 PolarHBondContact OE1-ND2 2.75Å; E225-C256 CarbonylContact C-O 3.44Å; E225-C256 VanDerWaalsContact CA-O 3.3Å; E225-C256 WeakPolarHBondContact CA-O 3.32Å
226	I	93.6	Very high	92.8	Very high	39 Å²	39	43.5 Å²	43.5	20%	0.2	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	109.5	166.6	-51.8	167.5	0	0	0	107	E232 C256 C258	I226-E232 HydrophobicContact CB-CG 4.48Å; I226-E232 HydrophobicContact CG1-CG 4.1Å; I226-C256 PolarHBondContact N-O 3.24Å; I226-C258 HydrophobicContact CD1-CB 4.06Å; I226-C258 HydrophobicContact CG1-CB 4.12Å
227	V	88.4	Confident	93.1	Very high	21 Å²	21	42.2 Å²	42.2	13%	0.127	20%	0.198	C	C	.	.			trans	-99.2	-172.8	177	-61.6	0	0	0	0	110.1	E225 F231 R233 Y408	E225-V227 HydrophobicContact CB-CG1 4.44Å; E225-V227 HydrophobicContact CG-CG1 3.78Å; E225-V227 PolarHBondContact O-N 3.27Å; V227-F231 HydrophobicContact CG2-CB 3.8Å; V227-F231 HydrophobicContact CG2-CD1 3.64Å; V227-F231 HydrophobicContact CG2-CG 4.17Å; V227-F231 WeakPolarHBondContact CG2-O 3.38Å; V227-F231 PolarHBondContact N-O 3.45Å; V227-R233 HydrophobicContact CG1-CG 4.38Å; V227-Y408 HydrophobicContact CG1-CE1 4.43Å; V227-Y408 HydrophobicContact CG2-CE1 4.09Å; V227-Y408 WeakPolarHBondContact CG2-OH 3.36Å
228	E	75.8	Confident	93.2	Very high	135 Å²	135	48.7 Å²	48.7	63%	0.631	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-57.9	160.4	175.8	-62.2	-171.2	163.5	0	0	112.6	N230 F231	E228-N230 PolarHBondContact O-N 2.92Å; E228-F231 PolarHBondContact O-N 3.24Å
229	Y	69.6	Low	93.3	Very high	189 Å²	189	47.9 Å²	47.9	74%	0.741	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	61.5	23	177.5	-47.1	-78.4	0	0	0	115.5	F231	Y229-F231 PolarHBondContact O-N 3Å
230	N	80.9	Confident	93.4	Very high	112 Å²	112	45.6 Å²	45.6	60%	0.599	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	56	34.1	-175.8	-55.5	-53.6	0	0	0	112.6	E228 R292	E228-N230 PolarHBondContact O-N 2.92Å; N230-R292 PolarHBondContact O-NH1 3.3Å
231	F	92.7	Very high	93.3	Very high	13 Å²	13	45.5 Å²	45.5	6%	0.057	21%	0.214	C	C	.	.			trans	-93.1	149.9	168.4	-179.1	-115.5	0	0	0	109.7	V227 E228 Y229 R233 V329 V330 F331 P332 Y408 F411	V227-F231 HydrophobicContact CG2-CB 3.8Å; V227-F231 HydrophobicContact CG2-CD1 3.64Å; V227-F231 HydrophobicContact CG2-CG 4.17Å; V227-F231 WeakPolarHBondContact CG2-O 3.38Å; V227-F231 PolarHBondContact N-O 3.45Å; E228-F231 PolarHBondContact O-N 3.24Å; Y229-F231 PolarHBondContact O-N 3Å; F231-R233 HydrophobicContact CE1-CB 4.31Å; F231-V329 HydrophobicContact CE2-CG1 4.23Å; F231-V330 WeakPolarHBondContact CD2-O 3.3Å; F231-V330 VanDerWaalsContact CE2-O 3.3Å; F231-V330 WeakPolarHBondContact CE2-O 3.44Å; F231-F331 HydrophobicContact CE1-CD1 4.27Å; F231-F331 HydrophobicContact CE2-CD1 4.18Å; F231-F331 HydrophobicContact CE2-CG 4.24Å; F231-F331 AromaticContact CZ-CD1 3.53Å; F231-F331 HydrophobicContact CZ-CD1 3.53Å; F231-F331 AromaticContact CZ-CE1 3.75Å; F231-F331 HydrophobicContact CZ-CE1 3.75Å; F231-F331 HydrophobicContact CZ-CG 4.05Å; F231-F331 HydrophobicContact CZ-CZ 4.41Å; F231-P332 HydrophobicContact CB-CG 3.84Å; F231-P332 HydrophobicContact CD1-CG 3.9Å; F231-P332 HydrophobicContact CD2-CG 4.31Å; F231-P332 HydrophobicContact CG-CG 3.76Å; F231-Y408 HydrophobicContact CD1-CD1 4.25Å; F231-Y408 HydrophobicContact CD1-CD2 4.13Å; F231-Y408 HydrophobicContact CD1-CE1 4.07Å; F231-Y408 AromaticContact CD1-CE2 3.95Å; F231-Y408 HydrophobicContact CD1-CE2 3.95Å; F231-Y408 HydrophobicContact CD1-CG 4.28Å; F231-Y408 AromaticContact CD1-CZ 3.92Å; F231-Y408 AromaticContact CE1-CD1 3.77Å; F231-Y408 HydrophobicContact CE1-CD1 3.77Å; F231-Y408 AromaticContact CE1-CD2 3.79Å; F231-Y408 HydrophobicContact CE1-CD2 3.79Å; F231-Y408 HydrophobicContact CE1-CE1 4.07Å; F231-Y408 HydrophobicContact CE1-CE2 4.1Å; F231-Y408 AromaticContact CE1-CG 3.62Å; F231-Y408 HydrophobicContact CE1-CG 3.62Å; F231-F411 HydrophobicContact CE1-CD1 4.18Å; F231-F411 HydrophobicContact CE1-CE1 4.38Å; F231-F411 HydrophobicContact CE2-CE1 4.36Å; F231-F411 AromaticContact CZ-CD1 3.75Å; F231-F411 HydrophobicContact CZ-CD1 3.75Å; F231-F411 AromaticContact CZ-CE1 3.67Å; F231-F411 HydrophobicContact CZ-CE1 3.67Å
232	E	95.4	Very high	93.1	Very high	16 Å²	16	45.9 Å²	45.9	8%	0.075	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.9	178.9	-62.5	82.2	177.8	0	0	109.9	F224 E225 I226 R260 R292 F411	F224-E232 HydrophobicContact CB-CB 4.23Å; F224-E232 HydrophobicContact CD1-CB 4.18Å; E225-E232 CarbonylContact O-C 3.55Å; E225-E232 WeakPolarHBondContact O-CA 3.21Å; I226-E232 HydrophobicContact CB-CG 4.48Å; I226-E232 HydrophobicContact CG1-CG 4.1Å; E232-R260 IonicContact OE1-CZ 3.45Å; E232-R260 IonicContact OE1-NH2 3.03Å; E232-R260 PolarHBondContact OE1-NH2 3.18Å; E232-R260 IonicContact OE2-CZ 3.07Å; E232-R260 IonicContact OE2-NH1 4Å; E232-R260 IonicContact OE2-NH2 3.48Å; E232-R260 PolarHBondContact OE2-NH2 2.85Å; E232-R292 VanDerWaalsContact CD-NH1 3.26Å; E232-R292 IonicContact OE1-CZ 2.71Å; E232-R292 VanDerWaalsContact OE1-CZ 3.28Å; E232-R292 IonicContact OE1-NH1 2.67Å; E232-R292 PolarHBondContact OE1-NH1 2.71Å; E232-R292 IonicContact OE1-NH2 2.8Å; E232-R292 PolarHBondContact OE1-NH2 2.63Å; E232-R292 IonicContact OE2-CZ 3.28Å; E232-R292 IonicContact OE2-NH1 3.49Å; E232-R292 PolarHBondContact OE2-NH1 2.99Å; E232-F411 WeakPolarHBondContact O-CE1 3.48Å
233	R	96.1	Very high	92.9	Very high	45 Å²	45	49.3 Å²	49.3	17%	0.17	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	143	173.7	69.2	169	-173.2	92.4	-1.8	110.6	F224 E225 V227 F231 E239 Y408 F411	F224-R233 CarbonylContact C-O 3.59Å; F224-R233 WeakPolarHBondContact CA-O 3.38Å; F224-R233 WeakPolarHBondContact CB-O 3.28Å; F224-R233 WeakPolarHBondContact CD1-O 3.41Å; E225-R233 HydrophobicContact CB-CG 4.11Å; E225-R233 PolarHBondContact N-O 3.02Å; E225-R233 PolarHBondContact O-N 2.77Å; E225-R233 IonicContact OE2-CZ 3.98Å; E225-R233 IonicContact OE2-NE 3.96Å; E225-R233 PolarHBondContact OE2-NE 2.91Å; E225-R233 IonicContact OE2-NH2 2.8Å; E225-R233 PolarHBondContact OE2-NH2 3.07Å; V227-R233 HydrophobicContact CG1-CG 4.38Å; F231-R233 HydrophobicContact CE1-CB 4.31Å; R233-E239 IonicContact CZ-OE1 3.93Å; R233-E239 VanDerWaalsContact CZ-OE1 3.3Å; R233-E239 IonicContact NH1-OE1 3.67Å; R233-E239 PolarHBondContact NH1-OE1 3.43Å; R233-E239 IonicContact NH1-OE2 3.72Å; R233-E239 PolarHBondContact NH1-OE2 2.83Å; R233-E239 IonicContact NH2-OE1 2.79Å; R233-E239 PolarHBondContact NH2-OE1 2.89Å; R233-Y408 HydrophobicContact CB-CD1 4.41Å; R233-F411 HydrophobicContact CB-CB 4.4Å; R233-F411 HydrophobicContact CB-CD1 3.73Å; R233-F411 HydrophobicContact CB-CE1 4.23Å; R233-F411 HydrophobicContact CB-CG 4.06Å
234	K	98	Very high	92.6	Very high	25 Å²	25	49.5 Å²	49.5	11%	0.109	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	139.6	173.9	-176.7	174.9	162.1	-68.1	0	109.9	Y222 F224 W262 F411	Y222-K234 HydrophobicContact CD1-CG 4.16Å; F224-K234 HydrophobicContact CD1-CB 4.06Å; F224-K234 VanDerWaalsContact CD1-N 3.32Å; F224-K234 HydrophobicContact CE1-CB 3.65Å; F224-K234 HydrophobicContact CE1-CG 4.44Å; F224-K234 HydrophobicContact CE2-CB 4.19Å; F224-K234 HydrophobicContact CE2-CG 4.12Å; F224-K234 HydrophobicContact CG-CB 4.5Å; F224-K234 HydrophobicContact CZ-CB 3.71Å; F224-K234 HydrophobicContact CZ-CD 4.31Å; F224-K234 HydrophobicContact CZ-CG 4.02Å; K234-W262 HydrophobicContact CD-CD2 3.62Å; K234-W262 HydrophobicContact CD-CE3 3.84Å; K234-W262 HydrophobicContact CD-CG 4.14Å; K234-W262 HydrophobicContact CD-CH2 4.07Å; K234-W262 HydrophobicContact CD-CZ2 3.87Å; K234-W262 HydrophobicContact CD-CZ3 4.07Å; K234-F411 HydrophobicContact CB-CD2 3.69Å; K234-F411 HydrophobicContact CB-CE2 3.35Å; K234-F411 HydrophobicContact CB-CZ 4.2Å
235	L	98.3	Very high	92.3	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-79.4	148.4	171	-62.4	-170.8	0	0	0	111.7	A200 Y222 L223 E225 E239 L244 L257	A200-L235 HydrophobicContact CB-CB 4.2Å; A200-L235 HydrophobicContact CB-CD1 4.1Å; Y222-L235 HydrophobicContact CE1-CB 4.42Å; Y222-L235 VanDerWaalsContact CE1-O 3.31Å; Y222-L235 WeakPolarHBondContact CE1-O 3.49Å; L223-L235 HydrophobicContact CB-CB 4.47Å; L223-L235 HydrophobicContact CB-CD1 3.99Å; L223-L235 HydrophobicContact CB-CG 4.37Å; L223-L235 PolarHBondContact O-N 2.78Å; E225-L235 HydrophobicContact CB-CD2 3.83Å; L235-E239 VanDerWaalsContact CA-OE2 3.31Å; L235-E239 WeakPolarHBondContact CA-OE2 3.38Å; L235-L244 HydrophobicContact CD1-CD1 3.82Å; L235-L244 HydrophobicContact CD2-CD1 3.55Å; L235-L244 HydrophobicContact CG-CD1 4.36Å; L235-L257 HydrophobicContact CD1-CD2 3.84Å
236	Q	97.3	Very high	91.9	Very high	55 Å²	55	48.9 Å²	48.9	26%	0.257	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-79.2	147.3	163.1	-59.4	-57.3	-31.4	0	0	110.5	H238 E239 D414	Q236-H238 WeakPolarHBondContact CB-CE1 3.44Å; Q236-H238 PolarHBondContact O-N 3.49Å; Q236-E239 HydrophobicContact CB-CG 4.13Å; Q236-E239 PolarHBondContact N-OE2 3.3Å; Q236-E239 PolarHBondContact O-N 3.4Å; Q236-D414 PolarHBondContact NE2-OD2 2.86Å
237	P	97.8	Very high	91.7	Very high	55 Å²	55	52.7 Å²	52.7	36%	0.357	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.8	-177.9	-28	35.8	0	0	0	115.3	N199 A200 Q201 Y222	N199-P237 VanDerWaalsContact CB-O 3.32Å; N199-P237 WeakPolarHBondContact CB-O 3.17Å; N199-P237 VanDerWaalsContact CG-O 3.23Å; A200-P237 PolarHBondContact N-O 3.1Å; Q201-P237 HydrophobicContact CB-CB 4.16Å; Q201-P237 PolarHBondContact N-O 2.75Å; Y222-P237 WeakPolarHBondContact OH-CA 3.33Å
238	H	97.4	Very high	91.6	Very high	136 Å²	136	53.2 Å²	53.2	63%	0.63	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-12.9	-178	63.6	-92.1	0	0	0	114.1	Q236	Q236-H238 WeakPolarHBondContact CB-CE1 3.44Å; Q236-H238 PolarHBondContact O-N 3.49Å
239	E	97.4	Very high	92.1	Very high	37 Å²	37	46.8 Å²	46.8	17%	0.173	22%	0.22	C	C	.	.			trans	-63.1	150.4	176.3	-75.1	-177.7	86.6	0	0	110.7	N199 A200 R233 L235 Q236 P241	N199-E239 CarbonylContact C-O 3.51Å; N199-E239 WeakPolarHBondContact CA-O 3.48Å; N199-E239 WeakPolarHBondContact CB-O 3.31Å; A200-E239 PolarHBondContact N-O 3.3Å; R233-E239 IonicContact CZ-OE1 3.93Å; R233-E239 VanDerWaalsContact CZ-OE1 3.3Å; R233-E239 IonicContact NH1-OE1 3.67Å; R233-E239 PolarHBondContact NH1-OE1 3.43Å; R233-E239 IonicContact NH1-OE2 3.72Å; R233-E239 PolarHBondContact NH1-OE2 2.83Å; R233-E239 IonicContact NH2-OE1 2.79Å; R233-E239 PolarHBondContact NH2-OE1 2.89Å; L235-E239 VanDerWaalsContact CA-OE2 3.31Å; L235-E239 WeakPolarHBondContact CA-OE2 3.38Å; Q236-E239 HydrophobicContact CB-CG 4.13Å; Q236-E239 PolarHBondContact N-OE2 3.3Å; Q236-E239 PolarHBondContact O-N 3.4Å; E239-P241 WeakPolarHBondContact O-CD 3.36Å
240	I	95.8	Very high	92.6	Very high	36 Å²	36	39.9 Å²	39.9	19%	0.185	20%	0.199	C	C	.	.			trans	-106.7	107.4	-175.3	-62.7	172.8	0	0	0	109.2	K196 H242 Q243 L244	K196-I240 WeakPolarHBondContact O-CG2 3.3Å; I240-H242 HydrophobicContact CG2-CB 4.31Å; I240-H242 PolarHBondContact O-N 3.4Å; I240-H242 VanDerWaalsContact O-N 3.12Å; I240-Q243 HydrophobicContact CB-CB 4.26Å; I240-Q243 HydrophobicContact CB-CG 3.96Å; I240-Q243 HydrophobicContact CG2-CB 4.37Å; I240-Q243 HydrophobicContact CG2-CG 3.87Å; I240-Q243 WeakPolarHBondContact O-CB 3.4Å; I240-Q243 PolarHBondContact O-N 3.1Å; I240-L244 PolarHBondContact O-N 3.43Å
241	P	95.9	Very high	92.6	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-56	-32.7	-176.2	-31.5	39.2	0	0	0	115	I180 S198 A200 V203 E239 L244 Y245 L257	I180-P241 HydrophobicContact CG2-CB 4.19Å; S198-P241 WeakPolarHBondContact O-CD 3.49Å; A200-P241 HydrophobicContact CB-CG 4.27Å; V203-P241 HydrophobicContact CB-CG 4.47Å; V203-P241 HydrophobicContact CG2-CG 3.99Å; E239-P241 WeakPolarHBondContact O-CD 3.36Å; P241-L244 WeakPolarHBondContact O-CB 3.38Å; P241-L244 PolarHBondContact O-N 2.92Å; P241-Y245 PolarHBondContact O-N 2.66Å; P241-L257 HydrophobicContact CB-CD1 3.68Å; P241-L257 HydrophobicContact CB-CD2 4.45Å
242	H	94.1	Very high	91.8	Very high	11 Å²	11	39.7 Å²	39.7	5%	0.051	21%	0.211	C	C	.	.	H	α-helix	trans	-65.9	-36.9	175	-178.1	-95	0	0	0	112.4	Q95 L96 D168 I180 K196 I240 L244 Y245 V246	Q95-H242 PolarHBondContact O-NE2 3.25Å; L96-H242 PolarHBondContact O-CE1 3.46Å; L96-H242 PolarHBondContact O-NE2 3.46Å; D168-H242 IonicContact OD2-CE1 3.33Å; I180-H242 HydrophobicContact CD1-CB 4.1Å; K196-H242 WeakPolarHBondContact O-CB 3.14Å; I240-H242 HydrophobicContact CG2-CB 4.31Å; I240-H242 PolarHBondContact O-N 3.4Å; I240-H242 VanDerWaalsContact O-N 3.12Å; H242-L244 VanDerWaalsContact C-N 3.29Å; H242-L244 PolarHBondContact O-N 2.58Å; H242-Y245 WeakPolarHBondContact O-CB 3.5Å; H242-Y245 PolarHBondContact O-N 2.9Å; H242-V246 PolarHBondContact O-N 3.04Å
243	Q	92.6	Very high	91.3	Very high	89 Å²	89	41.9 Å²	41.9	42%	0.416	23%	0.227	S	C	.	.	H	α-helix	trans	-64.6	-37.3	176.4	-70.8	177.5	-17.2	0	0	111	I240 Y245 V246 Q247	I240-Q243 HydrophobicContact CB-CB 4.26Å; I240-Q243 HydrophobicContact CB-CG 3.96Å; I240-Q243 HydrophobicContact CG2-CB 4.37Å; I240-Q243 HydrophobicContact CG2-CG 3.87Å; I240-Q243 WeakPolarHBondContact O-CB 3.4Å; I240-Q243 PolarHBondContact O-N 3.1Å; Q243-Y245 VanDerWaalsContact C-N 3.26Å; Q243-Y245 PolarHBondContact O-N 2.86Å; Q243-V246 PolarHBondContact O-N 3.25Å; Q243-V246 VanDerWaalsContact O-N 3.1Å; Q243-Q247 WeakPolarHBondContact O-CG 3.4Å; Q243-Q247 PolarHBondContact O-N 3.34Å
244	L	92.9	Very high	90.8	Very high	4 Å²	4	42 Å²	42	2%	0.021	24%	0.235	C	C	.	.	H	α-helix	trans	-62.7	-32.9	175	-58.2	177.6	0	0	0	112.3	E225 L235 I240 P241 H242 V246 N248 L257	E225-L244 HydrophobicContact CB-CD1 4.44Å; L235-L244 HydrophobicContact CD1-CD1 3.82Å; L235-L244 HydrophobicContact CD2-CD1 3.55Å; L235-L244 HydrophobicContact CG-CD1 4.36Å; I240-L244 PolarHBondContact O-N 3.43Å; P241-L244 WeakPolarHBondContact O-CB 3.38Å; P241-L244 PolarHBondContact O-N 2.92Å; H242-L244 VanDerWaalsContact C-N 3.29Å; H242-L244 PolarHBondContact O-N 2.58Å; L244-V246 VanDerWaalsContact C-N 3.35Å; L244-N248 WeakPolarHBondContact O-CB 3.45Å; L244-N248 PolarHBondContact O-N 3.15Å; L244-N248 PolarHBondContact O-ND2 2.82Å; L244-L257 HydrophobicContact CD1-CD2 3.94Å
245	Y	90.9	Very high	90.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.3	-39.9	172.9	-79.9	8	0	0	0	112.8	R94 L96 I180 K181 P241 H242 Q243 N248 Y249 T255 C256 L257	R94-Y245 HydrophobicContact CB-CD2 3.69Å; R94-Y245 HydrophobicContact CB-CE2 3.88Å; R94-Y245 HydrophobicContact CB-CG 4.39Å; R94-Y245 HydrophobicContact CG-CD2 3.92Å; R94-Y245 HydrophobicContact CG-CE2 3.69Å; R94-Y245 HydrophobicContact CG-CG 4.48Å; R94-Y245 PolarHBondContact NH1-O 2.97Å; L96-Y245 WeakPolarHBondContact CD2-O 3.37Å; I180-Y245 HydrophobicContact CD1-CD2 4.15Å; I180-Y245 HydrophobicContact CD1-CE2 3.98Å; K181-Y245 WeakPolarHBondContact CA-OH 3.46Å; K181-Y245 WeakPolarHBondContact CB-OH 3.49Å; K181-Y245 PolarHBondContact N-OH 3.2Å; K181-Y245 PolarHBondContact O-OH 2.99Å; P241-Y245 PolarHBondContact O-N 2.66Å; H242-Y245 WeakPolarHBondContact O-CB 3.5Å; H242-Y245 PolarHBondContact O-N 2.9Å; Q243-Y245 VanDerWaalsContact C-N 3.26Å; Q243-Y245 PolarHBondContact O-N 2.86Å; Y245-N248 CarbonylContact O-C 3.57Å; Y245-Y249 WeakPolarHBondContact O-CA 3.24Å; Y245-Y249 PolarHBondContact O-N 2.96Å; Y245-T255 PolarHBondContact OH-OG1 3.32Å; Y245-T255 VanDerWaalsContact OH-OG1 3.1Å; Y245-C256 VanDerWaalsContact CD1-SG 3.59Å; Y245-L257 HydrophobicContact CD1-CD1 4.28Å; Y245-L257 HydrophobicContact CE1-CD1 3.56Å; Y245-L257 HydrophobicContact CE1-CG 3.91Å
246	V	89.8	Confident	90.2	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-70.4	-44.9	178	179.8	0	0	0	0	110.7	L96 L166 H242 Q243 L244 N248 Y249	L96-V246 HydrophobicContact CB-CG2 4.45Å; L96-V246 WeakPolarHBondContact O-CG2 3.45Å; L166-V246 HydrophobicContact CB-CG1 4.22Å; L166-V246 WeakPolarHBondContact O-CG1 3.1Å; H242-V246 PolarHBondContact O-N 3.04Å; Q243-V246 PolarHBondContact O-N 3.25Å; Q243-V246 VanDerWaalsContact O-N 3.1Å; L244-V246 VanDerWaalsContact C-N 3.35Å; V246-N248 VanDerWaalsContact C-N 3.32Å; V246-N248 PolarHBondContact O-N 3.33Å; V246-Y249 VanDerWaalsContact O-CB 3.3Å; V246-Y249 WeakPolarHBondContact O-CB 3.33Å; V246-Y249 WeakPolarHBondContact O-CD1 3.42Å; V246-Y249 PolarHBondContact O-N 3.39Å
247	Q	89.3	Confident	90.2	Very high	120 Å²	120	38.5 Å²	38.5	56%	0.561	22%	0.22	S	C	*	.	H	α-helix	trans	-62.2	-40.7	177.9	-70.9	172.2	-11.1	0	0	111.7	Q243 Y249	Q243-Q247 WeakPolarHBondContact O-CG 3.4Å; Q243-Q247 PolarHBondContact O-N 3.34Å; Q247-Y249 VanDerWaalsContact C-N 3.34Å; Q247-Y249 PolarHBondContact O-N 3.02Å
248	N	85.7	Confident	90.2	Very high	31 Å²	31	36.1 Å²	36.1	17%	0.166	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	34.9	177.6	-61.5	-79.9	0	0	0	112.9	R94 E225 L244 Y245 V246 S250 T251 C256	R94-N248 PolarHBondContact NH1-O 2.9Å; R94-N248 PolarHBondContact NH2-O 2.78Å; E225-N248 PolarHBondContact OE1-ND2 2.75Å; L244-N248 WeakPolarHBondContact O-CB 3.45Å; L244-N248 PolarHBondContact O-N 3.15Å; L244-N248 PolarHBondContact O-ND2 2.82Å; Y245-N248 CarbonylContact O-C 3.57Å; V246-N248 VanDerWaalsContact C-N 3.32Å; V246-N248 PolarHBondContact O-N 3.33Å; N248-S250 VanDerWaalsContact C-N 3.26Å; N248-S250 PolarHBondContact O-N 2.94Å; N248-T251 PolarHBondContact O-N 2.93Å; N248-T251 PolarHBondContact O-OG1 2.88Å; N248-C256 HydrophobicContact CB-CB 4.32Å
249	Y	85.4	Confident	90.2	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.7	-175.9	91.5	-87.1	0	0	0	112.7	L67 M91 L96 A157 V162 Q163 L166 Y245 V246 Q247 T251	L67-Y249 HydrophobicContact CD1-CE2 4.29Å; M91-Y249 HydrophobicContact CE-CD2 3.6Å; M91-Y249 HydrophobicContact CE-CE2 3.98Å; M91-Y249 WeakPolarHBondContact CE-O 3.49Å; M91-Y249 WeakPolarHBondContact CG-O 3.47Å; L96-Y249 HydrophobicContact CD1-CD2 4.22Å; L96-Y249 HydrophobicContact CD1-CG 4.27Å; A157-Y249 WeakPolarHBondContact CA-OH 3.4Å; A157-Y249 WeakPolarHBondContact CB-OH 3.36Å; A157-Y249 PolarHBondContact O-OH 2.87Å; V162-Y249 WeakPolarHBondContact CG1-OH 3.14Å; Q163-Y249 VanDerWaalsContact NE2-CE1 3.34Å; L166-Y249 HydrophobicContact CD1-CD1 3.71Å; L166-Y249 HydrophobicContact CD1-CD2 3.43Å; L166-Y249 VanDerWaalsContact CD1-CD2 3.43Å; L166-Y249 HydrophobicContact CD1-CE1 3.75Å; L166-Y249 HydrophobicContact CD1-CE2 3.52Å; L166-Y249 HydrophobicContact CD1-CG 3.55Å; Y245-Y249 WeakPolarHBondContact O-CA 3.24Å; Y245-Y249 PolarHBondContact O-N 2.96Å; V246-Y249 VanDerWaalsContact O-CB 3.3Å; V246-Y249 WeakPolarHBondContact O-CB 3.33Å; V246-Y249 WeakPolarHBondContact O-CD1 3.42Å; V246-Y249 PolarHBondContact O-N 3.39Å; Q247-Y249 VanDerWaalsContact C-N 3.34Å; Q247-Y249 PolarHBondContact O-N 3.02Å; Y249-T251 PolarHBondContact O-N 3.05Å
250	S	80.7	Confident	90.2	Very high	44 Å²	44	29.4 Å²	29.4	31%	0.308	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.5	177.3	53.9	0	0	0	0	113.2	L67 N248	L67-S250 WeakPolarHBondContact CD2-O 3.42Å; N248-S250 VanDerWaalsContact C-N 3.26Å; N248-S250 PolarHBondContact O-N 2.94Å
251	T	80.3	Confident	90.2	Very high	52 Å²	52	28.5 Å²	28.5	32%	0.319	17%	0.167	S	C	.	.			trans	-76.5	128.1	179.9	-47.2	0	0	0	0	111.4	R94 N248 Y249 S253	R94-T251 PolarHBondContact NH2-O 2.68Å; N248-T251 PolarHBondContact O-N 2.93Å; N248-T251 PolarHBondContact O-OG1 2.88Å; Y249-T251 PolarHBondContact O-N 3.05Å; T251-S253 PolarHBondContact O-N 3.26Å
252	A	76.9	Confident	90.3	Very high	70 Å²	70	29.7 Å²	29.7	58%	0.579	17%	0.171	S	C	*	.			trans	-74.1	-3.5	178.7	0	0	0	0	0	114.3	A92	A92-A252 WeakPolarHBondContact CB-O 3.35Å
253	S	84.4	Confident	90.5	Very high	61 Å²	61	29.4 Å²	29.4	43%	0.427	17%	0.17	S	C	.	.	S	Bend	trans	-72.9	145.8	178.5	-59.6	0	0	0	0	111.8	A92 R94 T251 T255	A92-S253 WeakPolarHBondContact CB-O 3.44Å; R94-S253 PolarHBondContact NE-O 3.18Å; T251-S253 PolarHBondContact O-N 3.26Å; S253-T255 WeakPolarHBondContact CB-O 3.19Å; S253-T255 PolarHBondContact O-N 3.39Å
254	S	85.4	Confident	90.7	Very high	47 Å²	47	25.6 Å²	25.6	33%	0.329	15%	0.152	S	C	.	.	S	Bend	trans	-69.9	-12.6	177.2	57.7	0	0	0	0	113.9	R94	R94-S254 WeakPolarHBondContact CD-O 3.49Å; R94-S254 WeakPolarHBondContact CG-O 3.42Å
255	T	91.9	Very high	90.9	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.025	15%	0.151	C	C	.	.			trans	-156	153.8	172.5	-172.7	0	0	0	0	110.4	K181 M183 Y245 S253 L257	K181-T255 VanDerWaalsContact O-CB 3.31Å; K181-T255 WeakPolarHBondContact O-CB 3.27Å; K181-T255 PolarHBondContact O-OG1 3.06Å; M183-T255 HydrophobicContact CB-CG2 4.09Å; Y245-T255 PolarHBondContact OH-OG1 3.32Å; Y245-T255 VanDerWaalsContact OH-OG1 3.1Å; S253-T255 WeakPolarHBondContact CB-O 3.19Å; S253-T255 PolarHBondContact O-N 3.39Å; T255-L257 WeakPolarHBondContact CG2-O 3.24Å; T255-L257 PolarHBondContact OG1-N 3.33Å; T255-L257 PolarHBondContact OG1-O 2.96Å
256	C	93.1	Very high	91.1	Very high	3 Å²	3	27.8 Å²	27.8	2%	0.02	17%	0.165	C	C	.	.	S	Bend	trans	-111.1	17.8	163.1	60.9	0	0	0	0	111.4	E225 I226 Y245 N248	E225-C256 CarbonylContact C-O 3.44Å; E225-C256 VanDerWaalsContact CA-O 3.3Å; E225-C256 WeakPolarHBondContact CA-O 3.32Å; I226-C256 PolarHBondContact N-O 3.24Å; Y245-C256 VanDerWaalsContact CD1-SG 3.59Å; N248-C256 HydrophobicContact CB-CB 4.32Å
257	L	96.4	Very high	91.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.6	-177.4	-61.3	165.7	0	0	0	109.9	I180 V182 M183 F224 L235 P241 L244 Y245 T255	I180-L257 HydrophobicContact CG2-CD1 3.46Å; I180-L257 VanDerWaalsContact CG2-CD1 3.46Å; V182-L257 HydrophobicContact CG1-CB 4.44Å; V182-L257 HydrophobicContact CG2-CB 4.21Å; V182-L257 HydrophobicContact CG2-CD1 4.46Å; M183-L257 PolarHBondContact N-O 3.2Å; F224-L257 WeakPolarHBondContact O-CA 3.33Å; L235-L257 HydrophobicContact CD1-CD2 3.84Å; P241-L257 HydrophobicContact CB-CD1 3.68Å; P241-L257 HydrophobicContact CB-CD2 4.45Å; L244-L257 HydrophobicContact CD1-CD2 3.94Å; Y245-L257 HydrophobicContact CD1-CD1 4.28Å; Y245-L257 HydrophobicContact CE1-CD1 3.56Å; Y245-L257 HydrophobicContact CE1-CG 3.91Å; T255-L257 WeakPolarHBondContact CG2-O 3.24Å; T255-L257 PolarHBondContact OG1-N 3.33Å; T255-L257 PolarHBondContact OG1-O 2.96Å
258	C	97.3	Very high	91.6	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.034	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	164.1	172.8	63.2	0	0	0	0	112.2	M183 L223 F224 I226	M183-C258 HydrophobicContact CB-CB 4.03Å; M183-C258 CarbonylContact O-C 3.49Å; M183-C258 WeakPolarHBondContact O-CA 3.5Å; M183-C258 WeakPolarHBondContact O-CB 3.44Å; L223-C258 CarbonylContact C-O 3.52Å; L223-C258 WeakPolarHBondContact CA-O 3.38Å; F224-C258 PolarHBondContact N-O 3.01Å; F224-C258 PolarHBondContact O-N 3.26Å; I226-C258 HydrophobicContact CD1-CB 4.06Å; I226-C258 HydrophobicContact CG1-CB 4.12Å
259	V	97.9	Very high	92.1	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.018	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	135.1	164.2	173.9	0	0	0	0	108	V182 M183 L184 P185 W204 L207 F221 Y222 L223	V182-V259 HydrophobicContact CG1-CG2 3.9Å; M183-V259 PolarHBondContact O-N 3.44Å; L184-V259 HydrophobicContact CD2-CB 4.42Å; L184-V259 HydrophobicContact CD2-CG2 3.91Å; P185-V259 HydrophobicContact CG-CB 4.39Å; P185-V259 HydrophobicContact CG-CG1 4.27Å; P185-V259 WeakPolarHBondContact CG-O 3.28Å; W204-V259 HydrophobicContact CH2-CG1 4.24Å; W204-V259 HydrophobicContact CZ3-CG1 3.91Å; W204-V259 HydrophobicContact CZ3-CG2 3.87Å; L207-V259 HydrophobicContact CD1-CG2 4.1Å; F221-V259 HydrophobicContact CB-CG1 4.19Å; F221-V259 HydrophobicContact CD1-CG1 4.38Å; Y222-V259 WeakPolarHBondContact O-CA 3.21Å; L223-V259 HydrophobicContact CD2-CG2 4.2Å
260	R	97.6	Very high	92.5	Very high	30 Å²	30	29.5 Å²	29.5	11%	0.113	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	159.2	171.4	-62.9	-67.1	-161	97.8	-7.4	110.8	F221 Y222 F224 E232 R292	F221-R260 VanDerWaalsContact CA-O 3.28Å; F221-R260 WeakPolarHBondContact CA-O 3.38Å; Y222-R260 PolarHBondContact N-O 3.37Å; Y222-R260 VanDerWaalsContact N-O 3.09Å; Y222-R260 PolarHBondContact O-N 2.98Å; Y222-R260 VanDerWaalsContact O-N 3.1Å; F224-R260 HydrophobicContact CB-CG 4.1Å; F224-R260 HydrophobicContact CD1-CB 4.18Å; F224-R260 HydrophobicContact CD1-CG 4.12Å; F224-R260 HydrophobicContact CD2-CB 3.53Å; F224-R260 HydrophobicContact CD2-CG 3.96Å; F224-R260 HydrophobicContact CE1-CB 4.21Å; F224-R260 HydrophobicContact CE2-CB 3.6Å; F224-R260 HydrophobicContact CE2-CG 4.45Å; F224-R260 HydrophobicContact CG-CB 3.87Å; F224-R260 HydrophobicContact CG-CG 3.8Å; F224-R260 HydrophobicContact CZ-CB 3.94Å; E232-R260 IonicContact OE1-CZ 3.45Å; E232-R260 IonicContact OE1-NH2 3.03Å; E232-R260 PolarHBondContact OE1-NH2 3.18Å; E232-R260 IonicContact OE2-CZ 3.07Å; E232-R260 IonicContact OE2-NH1 4Å; E232-R260 IonicContact OE2-NH2 3.48Å; E232-R260 PolarHBondContact OE2-NH2 2.85Å; R260-R292 VanDerWaalsContact NH2-NH1 3.16Å
261	R	96.3	Very high	93.1	Very high	17 Å²	17	31 Å²	31	6%	0.064	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.5	131.1	166.2	-177.9	-177.5	62.6	-168.6	-14.7	109.8	Y220 F221 L263 E269 I282 E289 Y326	Y220-R261 CarbonylContact O-C 3.6Å; Y220-R261 WeakPolarHBondContact O-CA 3.41Å; F221-R261 HydrophobicContact CD1-CB 4.42Å; F221-R261 HydrophobicContact CE1-CB 4.18Å; R261-L263 WeakPolarHBondContact CD-O 3.29Å; R261-L263 HydrophobicContact CG-CB 3.79Å; R261-L263 PolarHBondContact NE-O 3.37Å; R261-E269 IonicContact CZ-OE2 3Å; R261-E269 IonicContact NH1-OE2 3.12Å; R261-E269 PolarHBondContact NH1-OE2 2.98Å; R261-I282 HydrophobicContact CG-CG1 4.49Å; R261-E289 IonicContact NH2-OE2 3.05Å; R261-Y326 PolarHBondContact NH1-OH 3.19Å
262	W	97.6	Very high	93.7	Very high	26 Å²	26	29.4 Å²	29.4	10%	0.098	18%	0.181	C	C	.	.			trans	-119.1	60.4	169	-171.2	-119.2	0	0	0	109.9	Y220 F224 K234 F264 F411 D414 R418	Y220-W262 CarbonylContact O-C 3.53Å; Y220-W262 PolarHBondContact O-N 3.04Å; F224-W262 HydrophobicContact CZ-CE3 4.04Å; K234-W262 HydrophobicContact CD-CD2 3.62Å; K234-W262 HydrophobicContact CD-CE3 3.84Å; K234-W262 HydrophobicContact CD-CG 4.14Å; K234-W262 HydrophobicContact CD-CH2 4.07Å; K234-W262 HydrophobicContact CD-CZ2 3.87Å; K234-W262 HydrophobicContact CD-CZ3 4.07Å; W262-F264 HydrophobicContact CE3-CE2 4.1Å; W262-F264 HydrophobicContact CH2-CE2 4.21Å; W262-F264 AromaticContact CZ3-CE2 3.84Å; W262-F264 HydrophobicContact CZ3-CE2 3.84Å; W262-F264 HydrophobicContact CZ3-CZ 4Å; W262-F411 HydrophobicContact CH2-CE2 4.2Å; W262-F411 AromaticContact CZ3-CE2 3.85Å; W262-F411 HydrophobicContact CZ3-CE2 3.85Å; W262-F411 HydrophobicContact CZ3-CZ 4.48Å; W262-D414 HydrophobicContact CH2-CB 4.16Å; W262-D414 HydrophobicContact CZ2-CB 4.36Å; W262-R418 HydrophobicContact CD2-CG 4.38Å; W262-R418 HydrophobicContact CH2-CB 4Å; W262-R418 HydrophobicContact CH2-CG 4.41Å; W262-R418 HydrophobicContact CZ2-CB 3.44Å; W262-R418 VanDerWaalsContact CZ2-CB 3.44Å; W262-R418 HydrophobicContact CZ2-CG 3.76Å; W262-R418 PolarHBondContact O-NH2 2.92Å; W262-R418 VanDerWaalsContact O-NH2 3.09Å
263	L	97.1	Very high	94.3	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.021	17%	0.169	C	C	.	.			trans	-152.6	130.4	-177.2	175.9	65.8	0	0	0	108.8	Y220 R261 K268 E269 L272 E422 W425	Y220-L263 HydrophobicContact CD1-CB 3.97Å; Y220-L263 HydrophobicContact CD1-CD1 3.57Å; Y220-L263 HydrophobicContact CD1-CD2 4.12Å; Y220-L263 HydrophobicContact CD1-CG 4.09Å; Y220-L263 HydrophobicContact CE1-CD1 3.81Å; Y220-L263 HydrophobicContact CG-CB 4.36Å; Y220-L263 HydrophobicContact CG-CD1 4.45Å; Y220-L263 HydrophobicContact CG-CD2 4.21Å; R261-L263 WeakPolarHBondContact CD-O 3.29Å; R261-L263 HydrophobicContact CG-CB 3.79Å; R261-L263 PolarHBondContact NE-O 3.37Å; L263-K268 HydrophobicContact CD1-CB 3.93Å; L263-K268 HydrophobicContact CD1-CG 4.13Å; L263-E269 HydrophobicContact CD2-CB 3.86Å; L263-E269 HydrophobicContact CD2-CG 4.38Å; L263-L272 HydrophobicContact CD2-CD1 4.14Å; L263-E422 WeakPolarHBondContact CA-OE1 3.36Å; L263-E422 WeakPolarHBondContact CD1-OE2 3.37Å; L263-W425 HydrophobicContact CD1-CZ3 4.04Å
264	F	97.5	Very high	94.3	Very high	9 Å²	9	33.7 Å²	33.7	4%	0.039	19%	0.192	C	C	.	.			trans	-110.6	-30.4	-178.5	-66.5	-94.5	0	0	0	112.4	W262 V266 G327 V329 M350 C415 R418 I419 E422	W262-F264 HydrophobicContact CE3-CE2 4.1Å; W262-F264 HydrophobicContact CH2-CE2 4.21Å; W262-F264 AromaticContact CZ3-CE2 3.84Å; W262-F264 HydrophobicContact CZ3-CE2 3.84Å; W262-F264 HydrophobicContact CZ3-CZ 4Å; F264-V266 PolarHBondContact O-N 3.39Å; F264-G327 VanDerWaalsContact CD1-O 3.29Å; F264-G327 WeakPolarHBondContact CD1-O 3.46Å; F264-V329 HydrophobicContact CE1-CG2 3.76Å; F264-V329 HydrophobicContact CZ-CG2 3.89Å; F264-M350 HydrophobicContact CB-CB 4.24Å; F264-M350 HydrophobicContact CB-CE 4.42Å; F264-C415 HydrophobicContact CZ-CB 4.14Å; F264-R418 HydrophobicContact CD2-CB 4.5Å; F264-R418 HydrophobicContact CD2-CG 3.82Å; F264-R418 HydrophobicContact CE2-CB 4.15Å; F264-R418 HydrophobicContact CE2-CG 3.79Å; F264-I419 HydrophobicContact CB-CG1 4Å; F264-I419 HydrophobicContact CD1-CD1 3.7Å; F264-I419 HydrophobicContact CD1-CG1 3.82Å; F264-I419 HydrophobicContact CD2-CG1 3.81Å; F264-I419 HydrophobicContact CE1-CD1 3.86Å; F264-I419 HydrophobicContact CE1-CG1 4.19Å; F264-I419 HydrophobicContact CE2-CG1 4.2Å; F264-I419 HydrophobicContact CG-CD1 4.04Å; F264-I419 HydrophobicContact CG-CG1 3.6Å; F264-I419 HydrophobicContact CZ-CD1 4.35Å; F264-I419 HydrophobicContact CZ-CG1 4.37Å; F264-E422 WeakPolarHBondContact CA-OE2 3.27Å; F264-E422 PolarHBondContact N-OE1 3.13Å; F264-E422 VanDerWaalsContact N-OE1 3.16Å; F264-E422 PolarHBondContact N-OE2 2.83Å
265	S	96.5	Very high	93.8	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.014	22%	0.218	C	C	.	.			trans	-73.1	115.1	-179.6	-176	0	0	0	0	110.9	A267 K268 E269 E422 E426	S265-A267 PolarHBondContact O-N 2.82Å; S265-A267 PolarHBondContact OG-N 3.32Å; S265-K268 PolarHBondContact O-N 2.93Å; S265-K268 PolarHBondContact OG-N 3.28Å; S265-E269 WeakPolarHBondContact O-CB 3.44Å; S265-E269 PolarHBondContact O-N 2.97Å; S265-E422 PolarHBondContact N-OE2 3.26Å; S265-E426 PolarHBondContact OG-OE1 3.41Å
266	V	95.9	Very high	93.5	Very high	48 Å²	48	37 Å²	37	29%	0.291	23%	0.225	S	C	.	.	H	α-helix	trans	-64.2	-33.4	169.9	178.6	0	0	0	0	110.8	F264 E269 L270 R321 Y326	F264-V266 PolarHBondContact O-N 3.39Å; V266-E269 WeakPolarHBondContact O-CB 3.31Å; V266-E269 PolarHBondContact O-N 3.06Å; V266-L270 HydrophobicContact CG1-CD1 4.32Å; V266-L270 VanDerWaalsContact O-CG 3.29Å; V266-L270 WeakPolarHBondContact O-CG 3.49Å; V266-L270 PolarHBondContact O-N 3.3Å; V266-L270 VanDerWaalsContact O-N 3.09Å; V266-R321 HydrophobicContact CG1-CB 4.31Å; V266-R321 HydrophobicContact CG1-CG 3.96Å; V266-Y326 HydrophobicContact CG2-CD1 3.99Å; V266-Y326 HydrophobicContact CG2-CE1 3.96Å
267	A	94.9	Very high	93.3	Very high	57 Å²	57	40.3 Å²	40.3	47%	0.471	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-47	177.2	0	0	0	0	0	110.7	S265 L270	S265-A267 PolarHBondContact O-N 2.82Å; S265-A267 PolarHBondContact OG-N 3.32Å; A267-L270 PolarHBondContact O-N 2.84Å
268	K	94.9	Very high	93.2	Very high	19 Å²	19	40.3 Å²	40.3	8%	0.083	24%	0.24	C	C	.	.	H	α-helix	trans	-68.3	-35.6	175.9	-161.4	64.1	161.8	-174.6	0	112.6	Y216 Y220 L263 S265 L270 T271 W425 D430	Y216-K268 WeakPolarHBondContact OH-CE 3.34Å; Y216-K268 PolarHBondContact OH-NZ 3.45Å; Y220-K268 HydrophobicContact CE1-CG 4.14Å; Y220-K268 WeakPolarHBondContact OH-CE 3.31Å; L263-K268 HydrophobicContact CD1-CB 3.93Å; L263-K268 HydrophobicContact CD1-CG 4.13Å; S265-K268 PolarHBondContact O-N 2.93Å; S265-K268 PolarHBondContact OG-N 3.28Å; K268-L270 PolarHBondContact O-N 2.87Å; K268-T271 PolarHBondContact O-N 2.96Å; K268-T271 PolarHBondContact O-OG1 3.26Å; K268-W425 HydrophobicContact CB-CE3 4.31Å; K268-W425 HydrophobicContact CB-CZ3 4.41Å; K268-W425 HydrophobicContact CD-CE3 4.28Å; K268-W425 HydrophobicContact CG-CE3 3.97Å; K268-W425 HydrophobicContact CG-CZ3 3.93Å; K268-D430 PolarHBondContact NZ-O 2.97Å; K268-D430 PolarHBondContact NZ-OXT 3.18Å
269	E	95.3	Very high	93	Very high	8 Å²	8	41.9 Å²	41.9	4%	0.037	26%	0.257	C	S	.	.	H	α-helix	trans	-56.1	-39.3	174.4	-173	-175.3	117.9	0	0	112.1	R261 L263 S265 V266 T271 L272 I282 R321 Y326	R261-E269 IonicContact CZ-OE2 3Å; R261-E269 IonicContact NH1-OE2 3.12Å; R261-E269 PolarHBondContact NH1-OE2 2.98Å; L263-E269 HydrophobicContact CD2-CB 3.86Å; L263-E269 HydrophobicContact CD2-CG 4.38Å; S265-E269 WeakPolarHBondContact O-CB 3.44Å; S265-E269 PolarHBondContact O-N 2.97Å; V266-E269 WeakPolarHBondContact O-CB 3.31Å; V266-E269 PolarHBondContact O-N 3.06Å; E269-T271 PolarHBondContact O-N 3.31Å; E269-L272 HydrophobicContact CG-CD1 4.47Å; E269-L272 WeakPolarHBondContact O-CB 3.4Å; E269-L272 WeakPolarHBondContact O-CG 3.39Å; E269-L272 PolarHBondContact O-N 3.16Å; E269-I282 HydrophobicContact CG-CD1 3.67Å; E269-I282 HydrophobicContact CG-CG2 4.5Å; E269-R321 IonicContact OE1-CZ 2.68Å; E269-R321 IonicContact OE1-NE 3.14Å; E269-R321 PolarHBondContact OE1-NE 3.34Å; E269-R321 IonicContact OE1-NH2 2.77Å; E269-R321 PolarHBondContact OE1-NH2 3.34Å; E269-Y326 PolarHBondContact OE1-OH 2.95Å; E269-Y326 PolarHBondContact OE2-OH 3.38Å
270	L	94.3	Very high	92.8	Very high	111 Å²	111	45.4 Å²	45.4	58%	0.581	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-12.8	178.9	-68.4	169.2	0	0	0	113.8	V266 A267 K268	V266-L270 HydrophobicContact CG1-CD1 4.32Å; V266-L270 VanDerWaalsContact O-CG 3.29Å; V266-L270 WeakPolarHBondContact O-CG 3.49Å; V266-L270 PolarHBondContact O-N 3.3Å; V266-L270 VanDerWaalsContact O-N 3.09Å; A267-L270 PolarHBondContact O-N 2.84Å; K268-L270 PolarHBondContact O-N 2.87Å
271	T	93.4	Very high	92.7	Very high	76 Å²	76	44.3 Å²	44.3	47%	0.466	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-2.3	176.2	74.5	0	0	0	0	113.2	Y216 K268 E269	Y216-T271 PolarHBondContact OH-OG1 2.88Å; K268-T271 PolarHBondContact O-N 2.96Å; K268-T271 PolarHBondContact O-OG1 3.26Å; E269-T271 PolarHBondContact O-N 3.31Å
272	L	93.3	Very high	92.8	Very high	18 Å²	18	43.7 Å²	43.7	9%	0.094	26%	0.264	C	S	.	.	S	Bend	trans	-62	139.2	178.4	-65	179	0	0	0	110.7	Y216 Y220 L263 E269 D274 A278 I282	Y216-L272 HydrophobicContact CE1-CD2 4.14Å; Y220-L272 HydrophobicContact CD2-CD2 3.39Å; Y220-L272 HydrophobicContact CE2-CD2 3.64Å; Y220-L272 HydrophobicContact CG-CD2 4.24Å; L263-L272 HydrophobicContact CD2-CD1 4.14Å; E269-L272 HydrophobicContact CG-CD1 4.47Å; E269-L272 WeakPolarHBondContact O-CB 3.4Å; E269-L272 WeakPolarHBondContact O-CG 3.39Å; E269-L272 PolarHBondContact O-N 3.16Å; L272-D274 PolarHBondContact O-N 3.07Å; L272-A278 HydrophobicContact CD1-CB 4.12Å; L272-I282 HydrophobicContact CD1-CD1 3.74Å
273	P	89.6	Confident	92.8	Very high	50 Å²	50	42.6 Å²	42.6	33%	0.325	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-58.8	128.8	-176.5	-24.2	33.5	0	0	0	112.7	Y216	Y216-P273 HydrophobicContact CD1-CG 4.25Å
274	D	84.2	Confident	92.8	Very high	171 Å²	171	44.8 Å²	44.8	91%	0.914	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	141.6	169.6	-74.4	-34.5	0	0	0	110.6	L272	L272-D274 PolarHBondContact O-N 3.07Å
275	G	73.8	Confident	92.7	Very high	85 Å²	85	44.9 Å²	44.9	88%	0.876	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	90	-10.5	176.8	0	0	0	0	0	115.7
276	E	85.9	Confident	92.8	Very high	34 Å²	34	44.8 Å²	44.8	16%	0.159	27%	0.268	C	S	.	.	S	Bend	trans	-80	164.2	165.9	-74	-168.7	-138.6	0	0	112	T214 T217 A278	T214-E276 VanDerWaalsContact CB-OE1 3.32Å; T214-E276 WeakPolarHBondContact CB-OE1 3.35Å; T214-E276 WeakPolarHBondContact CG2-OE1 3.42Å; T214-E276 PolarHBondContact N-OE2 3.35Å; T214-E276 VanDerWaalsContact N-OE2 3.11Å; T214-E276 PolarHBondContact OG1-OE1 2.9Å; T217-E276 WeakPolarHBondContact CB-OE2 3.43Å; T217-E276 WeakPolarHBondContact CG2-OE2 3.35Å; T217-E276 PolarHBondContact OG1-OE1 3.44Å; T217-E276 PolarHBondContact OG1-OE2 3.42Å; E276-A278 PolarHBondContact O-N 2.84Å; E276-A278 VanDerWaalsContact O-N 3.14Å
277	Q	90.3	Very high	92.9	Very high	74 Å²	74	42.7 Å²	42.7	35%	0.346	26%	0.255	S	S	.	.	H	α-helix	trans	-65	-15	178.2	-66.8	-60.3	-38.3	0	0	113.5	L213 G279 R280 F281	L213-Q277 HydrophobicContact CD2-CB 4.21Å; Q277-G279 PolarHBondContact O-N 2.69Å; Q277-R280 WeakPolarHBondContact O-CB 3.46Å; Q277-R280 PolarHBondContact O-N 2.86Å; Q277-R280 VanDerWaalsContact O-N 3.17Å; Q277-F281 HydrophobicContact CB-CD1 4.4Å; Q277-F281 HydrophobicContact CB-CD2 4.36Å; Q277-F281 HydrophobicContact CB-CE1 4.15Å; Q277-F281 HydrophobicContact CB-CE2 4.1Å; Q277-F281 HydrophobicContact CB-CZ 3.99Å; Q277-F281 WeakPolarHBondContact O-CB 3.45Å; Q277-F281 WeakPolarHBondContact O-CG 3.18Å; Q277-F281 PolarHBondContact O-N 2.99Å
278	A	92.9	Very high	92.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-55.2	-51.7	-174.9	0	0	0	0	0	113.5	T217 F221 L272 E276 R280 F281 I282	T217-A278 HydrophobicContact CG2-CB 3.59Å; F221-A278 HydrophobicContact CE2-CB 3.64Å; F221-A278 HydrophobicContact CZ-CB 3.83Å; L272-A278 HydrophobicContact CD1-CB 4.12Å; E276-A278 PolarHBondContact O-N 2.84Å; E276-A278 VanDerWaalsContact O-N 3.14Å; A278-R280 VanDerWaalsContact C-N 3.29Å; A278-R280 PolarHBondContact O-N 2.71Å; A278-F281 PolarHBondContact O-N 2.85Å; A278-F281 VanDerWaalsContact O-N 3.16Å; A278-I282 VanDerWaalsContact O-CG1 3.26Å; A278-I282 WeakPolarHBondContact O-CG1 3.02Å; A278-I282 PolarHBondContact O-N 2.83Å
279	G	93.4	Very high	92.9	Very high	37 Å²	37	41 Å²	41	38%	0.381	24%	0.239	S	C	.	.	H	α-helix	trans	-60.5	-39	179.6	0	0	0	0	0	112.6	Q277 F283	Q277-G279 PolarHBondContact O-N 2.69Å; G279-F283 WeakPolarHBondContact O-CB 3.17Å; G279-F283 PolarHBondContact O-N 2.81Å
280	R	94.4	Very high	93	Very high	78 Å²	78	41.1 Å²	41.1	29%	0.294	24%	0.24	S	C	.	.	H	α-helix	trans	-64.7	-45.6	174.9	178.6	179.3	158.5	95.3	-4.6	111.3	D186 Q277 A278 F283 Y284	D186-R280 IonicContact OD2-CZ 3.95Å; D186-R280 VanDerWaalsContact OD2-CZ 3.28Å; D186-R280 IonicContact OD2-NE 2.68Å; D186-R280 PolarHBondContact OD2-NE 3.28Å; D186-R280 IonicContact OD2-NH2 3.13Å; D186-R280 PolarHBondContact OD2-NH2 3.08Å; Q277-R280 WeakPolarHBondContact O-CB 3.46Å; Q277-R280 PolarHBondContact O-N 2.86Å; Q277-R280 VanDerWaalsContact O-N 3.17Å; A278-R280 VanDerWaalsContact C-N 3.29Å; A278-R280 PolarHBondContact O-N 2.71Å; R280-F283 WeakPolarHBondContact O-CB 3.14Å; R280-F283 PolarHBondContact O-N 2.71Å; R280-Y284 HydrophobicContact CG-CD2 3.85Å; R280-Y284 HydrophobicContact CG-CE2 3.57Å; R280-Y284 VanDerWaalsContact CZ-CE2 3.43Å; R280-Y284 PolarHBondContact NH1-OH 3.24Å; R280-Y284 WeakPolarHBondContact O-CD2 3.28Å; R280-Y284 PolarHBondContact O-N 3Å; R280-Y284 VanDerWaalsContact O-N 3.1Å
281	F	95.7	Very high	93	Very high	6 Å²	6	39.7 Å²	39.7	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-62.8	-43.1	179.5	-77.8	0.3	0	0	0	112.4	L184 P185 F221 Q277 A278 F283 Y284 Q285	L184-F281 HydrophobicContact CB-CE1 4.47Å; L184-F281 HydrophobicContact CB-CZ 4.44Å; L184-F281 HydrophobicContact CD1-CZ 4.38Å; P185-F281 HydrophobicContact CB-CB 3.88Å; P185-F281 HydrophobicContact CB-CD1 4.08Å; P185-F281 HydrophobicContact CB-CG 4.01Å; P185-F281 WeakPolarHBondContact CB-O 3.49Å; P185-F281 HydrophobicContact CG-CB 3.71Å; P185-F281 HydrophobicContact CG-CD1 3.96Å; P185-F281 HydrophobicContact CG-CD2 3.88Å; P185-F281 HydrophobicContact CG-CE2 4.49Å; P185-F281 HydrophobicContact CG-CG 3.58Å; F221-F281 HydrophobicContact CD1-CD2 4.34Å; F221-F281 HydrophobicContact CE1-CB 3.75Å; F221-F281 HydrophobicContact CE1-CD2 4.22Å; F221-F281 HydrophobicContact CZ-CB 4.19Å; Q277-F281 HydrophobicContact CB-CD1 4.4Å; Q277-F281 HydrophobicContact CB-CD2 4.36Å; Q277-F281 HydrophobicContact CB-CE1 4.15Å; Q277-F281 HydrophobicContact CB-CE2 4.1Å; Q277-F281 HydrophobicContact CB-CZ 3.99Å; Q277-F281 WeakPolarHBondContact O-CB 3.45Å; Q277-F281 WeakPolarHBondContact O-CG 3.18Å; Q277-F281 PolarHBondContact O-N 2.99Å; A278-F281 PolarHBondContact O-N 2.85Å; A278-F281 VanDerWaalsContact O-N 3.16Å; F281-F283 VanDerWaalsContact C-N 3.33Å; F281-F283 PolarHBondContact O-N 2.73Å; F281-Y284 PolarHBondContact O-N 2.77Å; F281-Q285 WeakPolarHBondContact O-CB 3.46Å; F281-Q285 PolarHBondContact O-N 2.81Å
282	I	97.1	Very high	92.9	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-65.4	-39.1	176.9	-63.9	176.3	0	0	0	110.8	F221 R261 E269 L272 A278 Q285 A286 L317 Y326	F221-I282 HydrophobicContact CE1-CG1 4.11Å; F221-I282 HydrophobicContact CZ-CD1 4.06Å; F221-I282 HydrophobicContact CZ-CG1 3.8Å; R261-I282 HydrophobicContact CG-CG1 4.49Å; E269-I282 HydrophobicContact CG-CD1 3.67Å; E269-I282 HydrophobicContact CG-CG2 4.5Å; L272-I282 HydrophobicContact CD1-CD1 3.74Å; A278-I282 VanDerWaalsContact O-CG1 3.26Å; A278-I282 WeakPolarHBondContact O-CG1 3.02Å; A278-I282 PolarHBondContact O-N 2.83Å; I282-Q285 PolarHBondContact O-N 3.05Å; I282-A286 WeakPolarHBondContact O-CB 3.41Å; I282-A286 PolarHBondContact O-N 2.73Å; I282-L317 HydrophobicContact CG2-CD1 4.35Å; I282-L317 HydrophobicContact CG2-CD2 3.92Å; I282-Y326 VanDerWaalsContact CG2-OH 3.3Å; I282-Y326 WeakPolarHBondContact CG2-OH 3.41Å
283	F	97.4	Very high	92.9	Very high	3 Å²	3	41.8 Å²	41.8	1%	0.013	25%	0.246	C	C	.	.	H	α-helix	trans	-57	-53.8	173.6	163.8	-104.6	0	0	0	112.4	G279 R280 F281 Q285 A286 V287 A313 Y316 L317	G279-F283 WeakPolarHBondContact O-CB 3.17Å; G279-F283 PolarHBondContact O-N 2.81Å; R280-F283 WeakPolarHBondContact O-CB 3.14Å; R280-F283 PolarHBondContact O-N 2.71Å; F281-F283 VanDerWaalsContact C-N 3.33Å; F281-F283 PolarHBondContact O-N 2.73Å; F283-Q285 VanDerWaalsContact C-N 3.35Å; F283-Q285 PolarHBondContact O-N 3.03Å; F283-A286 PolarHBondContact O-N 2.96Å; F283-V287 HydrophobicContact CD2-CG2 4.24Å; F283-V287 HydrophobicContact CE1-CG2 4.41Å; F283-V287 HydrophobicContact CE2-CG2 3.81Å; F283-V287 HydrophobicContact CZ-CG2 3.91Å; F283-V287 WeakPolarHBondContact O-CG2 3.48Å; F283-V287 PolarHBondContact O-N 3.25Å; F283-A313 HydrophobicContact CB-CB 3.83Å; F283-A313 HydrophobicContact CD1-CB 4.06Å; F283-A313 HydrophobicContact CD2-CB 3.75Å; F283-A313 HydrophobicContact CE2-CB 4.31Å; F283-A313 HydrophobicContact CG-CB 3.58Å; F283-Y316 AromaticContact CD2-CD1 3.71Å; F283-Y316 HydrophobicContact CD2-CD1 3.71Å; F283-Y316 AromaticContact CD2-CG 3.81Å; F283-Y316 HydrophobicContact CD2-CG 3.81Å; F283-Y316 AromaticContact CE2-CD1 3.82Å; F283-Y316 HydrophobicContact CE2-CD1 3.82Å; F283-Y316 AromaticContact CE2-CD2 3.95Å; F283-Y316 HydrophobicContact CE2-CD2 3.95Å; F283-Y316 AromaticContact CE2-CG 3.5Å; F283-Y316 HydrophobicContact CE2-CG 3.5Å; F283-L317 HydrophobicContact CB-CD1 4.08Å; F283-L317 HydrophobicContact CB-CD2 4.45Å; F283-L317 HydrophobicContact CB-CG 4.19Å
284	Y	97.4	Very high	93.1	Very high	51 Å²	51	41.6 Å²	41.6	20%	0.2	24%	0.242	C	C	.	.	H	α-helix	trans	-67.5	-36.2	-178.9	-73.3	-75.7	0	0	0	112.8	P185 D186 R280 F281 A286 V287 D288	P185-Y284 WeakPolarHBondContact O-CB 3.47Å; D186-Y284 HydrophobicContact CB-CD2 3.35Å; D186-Y284 HydrophobicContact CB-CE2 3.45Å; D186-Y284 VanDerWaalsContact CB-CE2 3.45Å; D186-Y284 HydrophobicContact CB-CG 3.94Å; R280-Y284 HydrophobicContact CG-CD2 3.85Å; R280-Y284 HydrophobicContact CG-CE2 3.57Å; R280-Y284 VanDerWaalsContact CZ-CE2 3.43Å; R280-Y284 PolarHBondContact NH1-OH 3.24Å; R280-Y284 WeakPolarHBondContact O-CD2 3.28Å; R280-Y284 PolarHBondContact O-N 3Å; R280-Y284 VanDerWaalsContact O-N 3.1Å; F281-Y284 PolarHBondContact O-N 2.77Å; Y284-A286 VanDerWaalsContact C-N 3.34Å; Y284-A286 PolarHBondContact O-N 2.91Å; Y284-V287 WeakPolarHBondContact O-CB 3.36Å; Y284-V287 PolarHBondContact O-N 2.94Å; Y284-D288 PolarHBondContact O-N 3.44Å
285	Q	96.7	Very high	93.8	Very high	10 Å²	10	33.5 Å²	33.5	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-61.9	-42.7	173.5	-177.5	170.2	-27.4	0	0	111.6	F281 I282 F283 V287 D288 E289	F281-Q285 WeakPolarHBondContact O-CB 3.46Å; F281-Q285 PolarHBondContact O-N 2.81Å; I282-Q285 PolarHBondContact O-N 3.05Å; F283-Q285 VanDerWaalsContact C-N 3.35Å; F283-Q285 PolarHBondContact O-N 3.03Å; Q285-V287 VanDerWaalsContact C-N 3.29Å; Q285-V287 PolarHBondContact O-N 3.36Å; Q285-D288 PolarHBondContact O-N 3.45Å; Q285-E289 HydrophobicContact CG-CG 4.37Å; Q285-E289 WeakPolarHBondContact CG-OE1 3.32Å; Q285-E289 PolarHBondContact NE2-OE1 3.27Å; Q285-E289 WeakPolarHBondContact O-CB 3.21Å; Q285-E289 WeakPolarHBondContact O-CG 3.5Å; Q285-E289 PolarHBondContact O-N 2.95Å
286	A	97.9	Very high	94.8	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-32.8	175.8	0	0	0	0	0	112.5	I282 F283 Y284 V290 I295 Y316 L317 A320 Y326	I282-A286 WeakPolarHBondContact O-CB 3.41Å; I282-A286 PolarHBondContact O-N 2.73Å; F283-A286 PolarHBondContact O-N 2.96Å; Y284-A286 VanDerWaalsContact C-N 3.34Å; Y284-A286 PolarHBondContact O-N 2.91Å; A286-V290 WeakPolarHBondContact O-CB 3.44Å; A286-V290 VanDerWaalsContact O-CG2 3.31Å; A286-V290 WeakPolarHBondContact O-CG2 3.5Å; A286-V290 PolarHBondContact O-N 3.34Å; A286-I295 HydrophobicContact CB-CD1 4.24Å; A286-Y316 HydrophobicContact CB-CE1 3.99Å; A286-Y316 PolarHBondContact O-OH 3.17Å; A286-L317 HydrophobicContact CB-CD2 3.92Å; A286-A320 HydrophobicContact CB-CB 4.49Å; A286-Y326 HydrophobicContact CB-CE2 3.89Å
287	V	97.4	Very high	95.1	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.018	17%	0.172	C	C	.	.	H	α-helix	trans	-62.1	-48	171.2	168.3	0	0	0	0	111	F283 Y284 Q285 V290 N291 Q308 Y316	F283-V287 HydrophobicContact CD2-CG2 4.24Å; F283-V287 HydrophobicContact CE1-CG2 4.41Å; F283-V287 HydrophobicContact CE2-CG2 3.81Å; F283-V287 HydrophobicContact CZ-CG2 3.91Å; F283-V287 WeakPolarHBondContact O-CG2 3.48Å; F283-V287 PolarHBondContact O-N 3.25Å; Y284-V287 WeakPolarHBondContact O-CB 3.36Å; Y284-V287 PolarHBondContact O-N 2.94Å; Q285-V287 VanDerWaalsContact C-N 3.29Å; Q285-V287 PolarHBondContact O-N 3.36Å; V287-V290 PolarHBondContact O-N 3.49Å; V287-N291 PolarHBondContact O-N 3Å; V287-N291 PolarHBondContact O-ND2 3.2Å; V287-N291 VanDerWaalsContact O-ND2 3.08Å; V287-Q308 HydrophobicContact CG1-CG 3.86Å; V287-Q308 HydrophobicContact CG2-CG 3.98Å; V287-Y316 WeakPolarHBondContact CA-OH 3.48Å; V287-Y316 HydrophobicContact CG2-CD1 4.32Å; V287-Y316 HydrophobicContact CG2-CD2 4.43Å; V287-Y316 HydrophobicContact CG2-CE1 3.75Å; V287-Y316 HydrophobicContact CG2-CE2 3.86Å
288	D	95.3	Very high	95.1	Very high	28 Å²	28	35.4 Å²	35.4	15%	0.15	19%	0.186	C	C	.	.	H	α-helix	trans	-64.2	-42.4	178.6	-71.5	-11	0	0	0	111.9	H187 Y284 Q285 V290 N291 R292	H187-D288 IonicContact CE1-OD1 3.96Å; H187-D288 IonicContact CE1-OD2 2.71Å; H187-D288 PolarHBondContact CE1-OD2 3.07Å; H187-D288 IonicContact NE2-OD1 3.56Å; H187-D288 PolarHBondContact NE2-OD1 3.26Å; H187-D288 IonicContact NE2-OD2 3.69Å; H187-D288 PolarHBondContact NE2-OD2 3.29Å; Y284-D288 PolarHBondContact O-N 3.44Å; Q285-D288 PolarHBondContact O-N 3.45Å; D288-V290 PolarHBondContact O-N 2.93Å; D288-N291 PolarHBondContact O-N 3.37Å; D288-N291 VanDerWaalsContact O-N 3.17Å; D288-R292 WeakPolarHBondContact O-CB 3.43Å; D288-R292 VanDerWaalsContact O-CG 3.28Å; D288-R292 WeakPolarHBondContact O-CG 3.43Å; D288-R292 PolarHBondContact O-N 2.87Å
289	E	96.1	Very high	94.9	Very high	12 Å²	12	39.3 Å²	39.3	6%	0.056	23%	0.226	C	C	.	.	H	α-helix	trans	-66.2	-33.9	178.7	-73.1	169.8	-179.9	0	0	112.6	R261 Q285 G293 N294 I295	R261-E289 IonicContact NH2-OE2 3.05Å; Q285-E289 HydrophobicContact CG-CG 4.37Å; Q285-E289 WeakPolarHBondContact CG-OE1 3.32Å; Q285-E289 PolarHBondContact NE2-OE1 3.27Å; Q285-E289 WeakPolarHBondContact O-CB 3.21Å; Q285-E289 WeakPolarHBondContact O-CG 3.5Å; Q285-E289 PolarHBondContact O-N 2.95Å; E289-G293 PolarHBondContact O-N 3.25Å; E289-N294 HydrophobicContact CB-CB 4.31Å; E289-N294 PolarHBondContact O-N 3.47Å; E289-I295 HydrophobicContact CB-CD1 3.59Å; E289-I295 HydrophobicContact CB-CG1 3.84Å; E289-I295 PolarHBondContact O-N 3.46Å; E289-I295 VanDerWaalsContact O-N 3.09Å
290	V	96.8	Very high	94.9	Very high	11 Å²	11	42.9 Å²	42.9	7%	0.067	23%	0.228	C	C	.	.	H	α-helix	trans	-66.4	-45.9	168.8	165.2	0	0	0	0	110.9	A286 V287 D288 R292 G293 I295 A297 L301 L304 Y316	A286-V290 WeakPolarHBondContact O-CB 3.44Å; A286-V290 VanDerWaalsContact O-CG2 3.31Å; A286-V290 WeakPolarHBondContact O-CG2 3.5Å; A286-V290 PolarHBondContact O-N 3.34Å; V287-V290 PolarHBondContact O-N 3.49Å; D288-V290 PolarHBondContact O-N 2.93Å; V290-R292 PolarHBondContact O-N 3.15Å; V290-G293 PolarHBondContact O-N 3.03Å; V290-I295 HydrophobicContact CG2-CB 3.65Å; V290-I295 HydrophobicContact CG2-CD1 4.09Å; V290-I295 HydrophobicContact CG2-CG1 4.47Å; V290-I295 HydrophobicContact CG2-CG2 3.69Å; V290-A297 HydrophobicContact CG1-CB 4.39Å; V290-L301 HydrophobicContact CG1-CD1 3.99Å; V290-L304 HydrophobicContact CG1-CD1 3.97Å; V290-L304 HydrophobicContact CG2-CD1 4Å; V290-Y316 WeakPolarHBondContact CG2-OH 3.38Å
291	N	93.9	Very high	94.9	Very high	81 Å²	81	43 Å²	43	43%	0.433	23%	0.234	S	C	.	.	H	α-helix	trans	-63.8	-31.7	-179.2	-68.2	-33.7	0	0	0	112.3	V287 D288 G293 K305	V287-N291 PolarHBondContact O-N 3Å; V287-N291 PolarHBondContact O-ND2 3.2Å; V287-N291 VanDerWaalsContact O-ND2 3.08Å; D288-N291 PolarHBondContact O-N 3.37Å; D288-N291 VanDerWaalsContact O-N 3.17Å; N291-G293 VanDerWaalsContact C-N 3.32Å; N291-K305 PolarHBondContact OD1-NZ 2.86Å
292	R	91.9	Very high	94.9	Very high	92 Å²	92	52.2 Å²	52.2	35%	0.347	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-9.7	174.9	-67.7	173.4	-176.1	-161.2	3.5	113.5	N230 E232 R260 D288 V290 N294	N230-R292 PolarHBondContact O-NH1 3.3Å; E232-R292 VanDerWaalsContact CD-NH1 3.26Å; E232-R292 IonicContact OE1-CZ 2.71Å; E232-R292 VanDerWaalsContact OE1-CZ 3.28Å; E232-R292 IonicContact OE1-NH1 2.67Å; E232-R292 PolarHBondContact OE1-NH1 2.71Å; E232-R292 IonicContact OE1-NH2 2.8Å; E232-R292 PolarHBondContact OE1-NH2 2.63Å; E232-R292 IonicContact OE2-CZ 3.28Å; E232-R292 IonicContact OE2-NH1 3.49Å; E232-R292 PolarHBondContact OE2-NH1 2.99Å; R260-R292 VanDerWaalsContact NH2-NH1 3.16Å; D288-R292 WeakPolarHBondContact O-CB 3.43Å; D288-R292 VanDerWaalsContact O-CG 3.28Å; D288-R292 WeakPolarHBondContact O-CG 3.43Å; D288-R292 PolarHBondContact O-N 2.87Å; V290-R292 PolarHBondContact O-N 3.15Å; R292-N294 VanDerWaalsContact C-N 3.28Å; R292-N294 PolarHBondContact O-N 3Å
293	G	93.1	Very high	94.8	Very high	46 Å²	46	56 Å²	56	47%	0.474	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	8.2	-177.1	0	0	0	0	0	114.8	E289 V290 N291	E289-G293 PolarHBondContact O-N 3.25Å; V290-G293 PolarHBondContact O-N 3.03Å; N291-G293 VanDerWaalsContact C-N 3.32Å
294	N	94.4	Very high	94.8	Very high	47 Å²	47	56 Å²	56	25%	0.251	29%	0.287	S	S	.	.	S	Bend	trans	-68	-42.3	174.7	-67.5	-8.2	0	0	0	110.4	E289 R292 V330	E289-N294 HydrophobicContact CB-CB 4.31Å; E289-N294 PolarHBondContact O-N 3.47Å; R292-N294 VanDerWaalsContact C-N 3.28Å; R292-N294 PolarHBondContact O-N 3Å; N294-V330 HydrophobicContact CB-CG2 4.08Å
295	I	97.1	Very high	94.7	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.005	30%	0.298	C	S	.	.	S	Bend	trans	-90.4	116	165.9	-61.5	167.8	0	0	0	107.9	A286 E289 V290 A297 L323 Y326	A286-I295 HydrophobicContact CB-CD1 4.24Å; E289-I295 HydrophobicContact CB-CD1 3.59Å; E289-I295 HydrophobicContact CB-CG1 3.84Å; E289-I295 PolarHBondContact O-N 3.46Å; E289-I295 VanDerWaalsContact O-N 3.09Å; V290-I295 HydrophobicContact CG2-CB 3.65Å; V290-I295 HydrophobicContact CG2-CD1 4.09Å; V290-I295 HydrophobicContact CG2-CG1 4.47Å; V290-I295 HydrophobicContact CG2-CG2 3.69Å; I295-A297 PolarHBondContact O-N 3.09Å; I295-A297 VanDerWaalsContact O-N 3.15Å; I295-L323 HydrophobicContact CG2-CB 3.67Å; I295-L323 HydrophobicContact CG2-CD1 3.91Å; I295-L323 HydrophobicContact CG2-CG 4.46Å; I295-Y326 HydrophobicContact CD1-CD2 3.73Å; I295-Y326 HydrophobicContact CD1-CE2 4.48Å
296	R	95.1	Very high	94.6	Very high	103 Å²	103	60 Å²	60	39%	0.389	32%	0.316	S	S	.	.			trans	-81.5	101.3	-177.6	-65.2	-173.3	-63.7	-167	0.8	110	D298 P324	R296-D298 VanDerWaalsContact C-N 3.26Å; R296-D298 PolarHBondContact O-N 3.07Å; R296-P324 PolarHBondContact N-O 3.28Å
297	A	93.6	Very high	94.5	Very high	10 Å²	10	61.4 Å²	61.4	8%	0.083	32%	0.323	C	S	.	.			trans	-68.8	-24.5	177	0	0	0	0	0	113.4	V290 I295 G299 R300 L301 L304	V290-A297 HydrophobicContact CG1-CB 4.39Å; I295-A297 PolarHBondContact O-N 3.09Å; I295-A297 VanDerWaalsContact O-N 3.15Å; A297-G299 PolarHBondContact O-N 3.31Å; A297-R300 WeakPolarHBondContact O-CA 3.26Å; A297-R300 VanDerWaalsContact O-CB 3.31Å; A297-R300 WeakPolarHBondContact O-CB 3.15Å; A297-R300 PolarHBondContact O-N 3.41Å; A297-L301 HydrophobicContact CB-CB 3.96Å; A297-L301 HydrophobicContact CB-CD1 4.04Å; A297-L304 HydrophobicContact CB-CD1 3.66Å
298	D	88.6	Confident	94.3	Very high	120 Å²	120	65.2 Å²	65.2	64%	0.642	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	43.9	-127.8	-173.9	-59	-33.5	0	0	0	110.8	R296 R300	R296-D298 VanDerWaalsContact C-N 3.26Å; R296-D298 PolarHBondContact O-N 3.07Å; D298-R300 PolarHBondContact O-N 3.04Å
299	G	90.3	Very high	94.2	Very high	81 Å²	81	67.5 Å²	67.5	84%	0.835	35%	0.352	S	S	*	.	G	3₁₀ helix	trans	-72.1	1.1	178.1	0	0	0	0	0	116	A297	A297-G299 PolarHBondContact O-N 3.31Å
300	R	93.5	Very high	93.9	Very high	113 Å²	113	69 Å²	69	43%	0.426	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-101.8	3.4	-174.2	-56.3	-71	-73.6	-95.6	5	113.8	A297 D298 Y302 E303 L304	A297-R300 WeakPolarHBondContact O-CA 3.26Å; A297-R300 VanDerWaalsContact O-CB 3.31Å; A297-R300 WeakPolarHBondContact O-CB 3.15Å; A297-R300 PolarHBondContact O-N 3.41Å; D298-R300 PolarHBondContact O-N 3.04Å; R300-Y302 VanDerWaalsContact C-N 3.3Å; R300-Y302 PolarHBondContact O-N 2.7Å; R300-E303 IonicContact CZ-OE2 3.78Å; R300-E303 IonicContact NE-OE2 2.75Å; R300-E303 PolarHBondContact NE-OE2 2.58Å; R300-E303 IonicContact NH2-OE1 2.81Å; R300-E303 IonicContact NH2-OE2 3.76Å; R300-E303 PolarHBondContact NH2-OE2 3.33Å; R300-E303 WeakPolarHBondContact O-CB 3.4Å; R300-E303 PolarHBondContact O-N 3.12Å; R300-L304 PolarHBondContact O-N 2.73Å; R300-L304 VanDerWaalsContact O-N 3.12Å
301	L	94.4	Very high	93.7	Very high	81 Å²	81	78 Å²	78	42%	0.424	41%	0.405	S	S	.	.	H	α-helix	trans	-56.6	-41.1	-176.8	-176.2	62	0	0	0	113	V290 A297 E303 L304 K305	V290-L301 HydrophobicContact CG1-CD1 3.99Å; A297-L301 HydrophobicContact CB-CB 3.96Å; A297-L301 HydrophobicContact CB-CD1 4.04Å; L301-E303 VanDerWaalsContact C-N 3.29Å; L301-E303 PolarHBondContact O-N 3.32Å; L301-L304 PolarHBondContact O-N 3.37Å; L301-K305 HydrophobicContact CD1-CG 4.47Å; L301-K305 HydrophobicContact CG-CG 4.48Å; L301-K305 WeakPolarHBondContact O-CG 3.5Å; L301-K305 PolarHBondContact O-N 3.42Å
302	Y	94.8	Very high	93.8	Very high	198 Å²	198	78.2 Å²	78.2	78%	0.776	40%	0.402	S	S	*	.	H	α-helix	trans	-58.6	-41.1	176.9	169.4	-95.3	0	0	0	112.3	R300 K305 A306	R300-Y302 VanDerWaalsContact C-N 3.3Å; R300-Y302 PolarHBondContact O-N 2.7Å; Y302-K305 PolarHBondContact O-N 3.3Å; Y302-A306 PolarHBondContact O-N 2.95Å
303	E	95.7	Very high	93.9	Very high	85 Å²	85	74.7 Å²	74.7	40%	0.397	39%	0.392	S	S	.	.	H	α-helix	trans	-68.6	-44.5	-179.1	-149.4	176.5	-124.4	0	0	110.6	R300 L301 K305 A306 L307 L319	R300-E303 IonicContact CZ-OE2 3.78Å; R300-E303 IonicContact NE-OE2 2.75Å; R300-E303 PolarHBondContact NE-OE2 2.58Å; R300-E303 IonicContact NH2-OE1 2.81Å; R300-E303 IonicContact NH2-OE2 3.76Å; R300-E303 PolarHBondContact NH2-OE2 3.33Å; R300-E303 WeakPolarHBondContact O-CB 3.4Å; R300-E303 PolarHBondContact O-N 3.12Å; L301-E303 VanDerWaalsContact C-N 3.29Å; L301-E303 PolarHBondContact O-N 3.32Å; E303-K305 VanDerWaalsContact C-N 3.34Å; E303-K305 PolarHBondContact O-N 2.8Å; E303-A306 PolarHBondContact O-N 2.68Å; E303-L307 VanDerWaalsContact O-CG 3.31Å; E303-L307 WeakPolarHBondContact O-CG 3.1Å; E303-L307 PolarHBondContact O-N 3.24Å; E303-L307 VanDerWaalsContact O-N 3.12Å; E303-L319 HydrophobicContact CB-CD2 4.09Å; E303-L319 HydrophobicContact CG-CD2 4.26Å; E303-L319 WeakPolarHBondContact OE2-CD2 3.49Å
304	L	96.5	Very high	94	Very high	1 Å²	1	75 Å²	75	1%	0.005	40%	0.396	C	S	.	.	H	α-helix	trans	-58.8	-43	172.9	-73.4	167	0	0	0	112.2	V290 A297 R300 L301 A306 L307 Q308 Y316 L319 L323	V290-L304 HydrophobicContact CG1-CD1 3.97Å; V290-L304 HydrophobicContact CG2-CD1 4Å; A297-L304 HydrophobicContact CB-CD1 3.66Å; R300-L304 PolarHBondContact O-N 2.73Å; R300-L304 VanDerWaalsContact O-N 3.12Å; L301-L304 PolarHBondContact O-N 3.37Å; L304-A306 VanDerWaalsContact C-N 3.33Å; L304-A306 PolarHBondContact O-N 2.91Å; L304-L307 CarbonylContact O-C 3.48Å; L304-L307 PolarHBondContact O-N 2.83Å; L304-L307 VanDerWaalsContact O-N 3.1Å; L304-Q308 PolarHBondContact O-N 2.79Å; L304-Y316 HydrophobicContact CB-CE2 3.88Å; L304-Y316 HydrophobicContact CD2-CD1 4.49Å; L304-Y316 HydrophobicContact CD2-CD2 3.95Å; L304-Y316 HydrophobicContact CD2-CE1 4.16Å; L304-Y316 HydrophobicContact CD2-CE2 3.58Å; L304-Y316 HydrophobicContact CD2-CG 4.38Å; L304-Y316 HydrophobicContact CG-CE2 4.33Å; L304-Y316 WeakPolarHBondContact O-CE2 3.3Å; L304-L319 HydrophobicContact CD2-CB 4.33Å; L304-L319 HydrophobicContact CD2-CD2 3.71Å; L304-L319 HydrophobicContact CD2-CG 3.88Å; L304-L319 HydrophobicContact CG-CD2 3.79Å; L304-L319 HydrophobicContact CG-CG 4.32Å; L304-L323 HydrophobicContact CD1-CD1 3.68Å; L304-L323 HydrophobicContact CD2-CD1 4.46Å; L304-L323 HydrophobicContact CG-CD1 4.49Å
305	K	94.9	Very high	94.2	Very high	96 Å²	96	77.7 Å²	77.7	42%	0.417	41%	0.41	S	S	.	.	H	α-helix	trans	-62.5	-37.8	176.2	-71.1	-55	-169.7	-171.7	0	112.4	N291 L301 Y302 E303 L307 Q308	N291-K305 PolarHBondContact OD1-NZ 2.86Å; L301-K305 HydrophobicContact CD1-CG 4.47Å; L301-K305 HydrophobicContact CG-CG 4.48Å; L301-K305 WeakPolarHBondContact O-CG 3.5Å; L301-K305 PolarHBondContact O-N 3.42Å; Y302-K305 PolarHBondContact O-N 3.3Å; E303-K305 VanDerWaalsContact C-N 3.34Å; E303-K305 PolarHBondContact O-N 2.8Å; K305-L307 PolarHBondContact O-N 2.83Å; K305-Q308 VanDerWaalsContact CD-OE1 3.29Å; K305-Q308 PolarHBondContact O-N 3.25Å
306	A	94.9	Very high	94.2	Very high	51 Å²	51	77.7 Å²	77.7	42%	0.421	41%	0.41	S	S	.	.	H	α-helix	trans	-69.4	-20.8	175.6	0	0	0	0	0	113.7	Y302 E303 L304 K312	Y302-A306 PolarHBondContact O-N 2.95Å; E303-A306 PolarHBondContact O-N 2.68Å; L304-A306 VanDerWaalsContact C-N 3.33Å; L304-A306 PolarHBondContact O-N 2.91Å; A306-K312 PolarHBondContact O-NZ 2.72Å
307	L	95.8	Very high	94.4	Very high	30 Å²	30	73.1 Å²	73.1	16%	0.157	39%	0.394	C	S	.	.	H	α-helix	trans	-97.4	-3.1	177.8	-64.6	175.4	0	0	0	113.5	E303 L304 K305 D309 K312 D315 Y316 L319	E303-L307 VanDerWaalsContact O-CG 3.31Å; E303-L307 WeakPolarHBondContact O-CG 3.1Å; E303-L307 PolarHBondContact O-N 3.24Å; E303-L307 VanDerWaalsContact O-N 3.12Å; L304-L307 CarbonylContact O-C 3.48Å; L304-L307 PolarHBondContact O-N 2.83Å; L304-L307 VanDerWaalsContact O-N 3.1Å; K305-L307 PolarHBondContact O-N 2.83Å; L307-D309 PolarHBondContact O-N 3.25Å; L307-K312 HydrophobicContact CD2-CB 4.35Å; L307-K312 HydrophobicContact CD2-CD 3.94Å; L307-D315 HydrophobicContact CD1-CB 4.32Å; L307-D315 HydrophobicContact CD2-CB 3.88Å; L307-Y316 HydrophobicContact CB-CD2 3.87Å; L307-Y316 HydrophobicContact CB-CG 4.45Å; L307-L319 HydrophobicContact CD1-CD2 4.14Å
308	Q	94.3	Very high	94.6	Very high	82 Å²	82	75.3 Å²	75.3	38%	0.383	41%	0.411	S	S	.	.			trans	-74.9	56.8	-177.2	-162.2	-177.4	-21.4	0	0	112.2	V287 L304 K305	V287-Q308 HydrophobicContact CG1-CG 3.86Å; V287-Q308 HydrophobicContact CG2-CG 3.98Å; L304-Q308 PolarHBondContact O-N 2.79Å; K305-Q308 VanDerWaalsContact CD-OE1 3.29Å; K305-Q308 PolarHBondContact O-N 3.25Å
309	D	92.4	Very high	95	Very high	77 Å²	77	70.2 Å²	70.2	41%	0.412	38%	0.384	S	S	.	.	S	Bend	trans	-134.5	135.3	175.4	-176.7	-56.5	0	0	0	108.1	L307 K311 K312 A313	L307-D309 PolarHBondContact O-N 3.25Å; D309-K311 PolarHBondContact O-N 3.41Å; D309-K311 VanDerWaalsContact O-N 3.1Å; D309-K311 VanDerWaalsContact OD1-CB 3.32Å; D309-K311 WeakPolarHBondContact OD1-CB 3.46Å; D309-K311 PolarHBondContact OD1-N 2.98Å; D309-K312 HydrophobicContact CB-CG 4.4Å; D309-K312 CarbonylContact O-C 3.49Å; D309-K312 WeakPolarHBondContact O-CA 3.26Å; D309-K312 PolarHBondContact O-N 3.3Å; D309-A313 PolarHBondContact O-N 3.1Å
310	A	89.4	Confident	95.4	Very high	44 Å²	44	66.4 Å²	66.4	36%	0.364	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-56.9	-28.5	-177.8	0	0	0	0	0	113.7	K312 A313	A310-K312 PolarHBondContact O-N 2.88Å; A310-A313 VanDerWaalsContact O-CB 3.28Å; A310-A313 WeakPolarHBondContact O-CB 3.47Å; A310-A313 PolarHBondContact O-N 2.76Å
311	K	93.2	Very high	95.6	Very high	198 Å²	198	63.9 Å²	63.9	86%	0.861	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-71.7	-19.3	175.6	-62.6	177.3	-177.7	174.6	0	113	D309	D309-K311 PolarHBondContact O-N 3.41Å; D309-K311 VanDerWaalsContact O-N 3.1Å; D309-K311 VanDerWaalsContact OD1-CB 3.32Å; D309-K311 WeakPolarHBondContact OD1-CB 3.46Å; D309-K311 PolarHBondContact OD1-N 2.98Å
312	K	95.8	Very high	95.6	Very high	87 Å²	87	64.8 Å²	64.8	38%	0.378	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-105.8	15.4	177.2	-57.6	-176.1	-173.4	177.8	0	112.1	A306 L307 D309 A310 G314 D315 Y316	A306-K312 PolarHBondContact O-NZ 2.72Å; L307-K312 HydrophobicContact CD2-CB 4.35Å; L307-K312 HydrophobicContact CD2-CD 3.94Å; D309-K312 HydrophobicContact CB-CG 4.4Å; D309-K312 CarbonylContact O-C 3.49Å; D309-K312 WeakPolarHBondContact O-CA 3.26Å; D309-K312 PolarHBondContact O-N 3.3Å; A310-K312 PolarHBondContact O-N 2.88Å; K312-G314 PolarHBondContact O-N 2.83Å; K312-D315 PolarHBondContact O-N 3.08Å; K312-D315 VanDerWaalsContact O-N 3.09Å; K312-Y316 PolarHBondContact O-N 2.87Å
313	A	95.1	Very high	95.8	Very high	17 Å²	17	56.2 Å²	56.2	14%	0.14	31%	0.312	C	S	.	.	H	α-helix	trans	-54.3	-39.5	-177.5	0	0	0	0	0	112.7	F283 D309 A310 Y316 L317	F283-A313 HydrophobicContact CB-CB 3.83Å; F283-A313 HydrophobicContact CD1-CB 4.06Å; F283-A313 HydrophobicContact CD2-CB 3.75Å; F283-A313 HydrophobicContact CE2-CB 4.31Å; F283-A313 HydrophobicContact CG-CB 3.58Å; D309-A313 PolarHBondContact O-N 3.1Å; A310-A313 VanDerWaalsContact O-CB 3.28Å; A310-A313 WeakPolarHBondContact O-CB 3.47Å; A310-A313 PolarHBondContact O-N 2.76Å; A313-Y316 PolarHBondContact O-N 3.4Å; A313-L317 WeakPolarHBondContact O-CB 3.37Å; A313-L317 VanDerWaalsContact O-CG 3.28Å; A313-L317 WeakPolarHBondContact O-CG 3.41Å; A313-L317 PolarHBondContact O-N 3.35Å
314	G	95.3	Very high	95.8	Very high	53 Å²	53	54.8 Å²	54.8	55%	0.546	31%	0.309	S	S	.	.	H	α-helix	trans	-60.1	-49	175.9	0	0	0	0	0	113	K312 L317 A318	K312-G314 PolarHBondContact O-N 2.83Å; G314-L317 PolarHBondContact O-N 3.29Å; G314-A318 WeakPolarHBondContact O-CB 3.14Å; G314-A318 PolarHBondContact O-N 3.35Å
315	D	97.4	Very high	95.7	Very high	103 Å²	103	55.1 Å²	55.1	55%	0.551	31%	0.313	S	S	*	.	H	α-helix	trans	-66.1	-41.4	178.8	-63	-32.4	0	0	0	111.7	L307 K312 A318 L319	L307-D315 HydrophobicContact CD1-CB 4.32Å; L307-D315 HydrophobicContact CD2-CB 3.88Å; K312-D315 PolarHBondContact O-N 3.08Å; K312-D315 VanDerWaalsContact O-N 3.09Å; D315-A318 PolarHBondContact O-N 3.43Å; D315-L319 PolarHBondContact O-N 3.38Å
316	Y	98.2	Very high	95.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-59.3	-49.4	175.5	-174.6	-80.3	0	0	0	110.9	F283 A286 V287 V290 L304 L307 K312 A313 L319 A320	F283-Y316 AromaticContact CD2-CD1 3.71Å; F283-Y316 HydrophobicContact CD2-CD1 3.71Å; F283-Y316 AromaticContact CD2-CG 3.81Å; F283-Y316 HydrophobicContact CD2-CG 3.81Å; F283-Y316 AromaticContact CE2-CD1 3.82Å; F283-Y316 HydrophobicContact CE2-CD1 3.82Å; F283-Y316 AromaticContact CE2-CD2 3.95Å; F283-Y316 HydrophobicContact CE2-CD2 3.95Å; F283-Y316 AromaticContact CE2-CG 3.5Å; F283-Y316 HydrophobicContact CE2-CG 3.5Å; A286-Y316 HydrophobicContact CB-CE1 3.99Å; A286-Y316 PolarHBondContact O-OH 3.17Å; V287-Y316 WeakPolarHBondContact CA-OH 3.48Å; V287-Y316 HydrophobicContact CG2-CD1 4.32Å; V287-Y316 HydrophobicContact CG2-CD2 4.43Å; V287-Y316 HydrophobicContact CG2-CE1 3.75Å; V287-Y316 HydrophobicContact CG2-CE2 3.86Å; V290-Y316 WeakPolarHBondContact CG2-OH 3.38Å; L304-Y316 HydrophobicContact CB-CE2 3.88Å; L304-Y316 HydrophobicContact CD2-CD1 4.49Å; L304-Y316 HydrophobicContact CD2-CD2 3.95Å; L304-Y316 HydrophobicContact CD2-CE1 4.16Å; L304-Y316 HydrophobicContact CD2-CE2 3.58Å; L304-Y316 HydrophobicContact CD2-CG 4.38Å; L304-Y316 HydrophobicContact CG-CE2 4.33Å; L304-Y316 WeakPolarHBondContact O-CE2 3.3Å; L307-Y316 HydrophobicContact CB-CD2 3.87Å; L307-Y316 HydrophobicContact CB-CG 4.45Å; K312-Y316 PolarHBondContact O-N 2.87Å; A313-Y316 PolarHBondContact O-N 3.4Å; Y316-L319 PolarHBondContact O-N 2.92Å; Y316-A320 HydrophobicContact CD1-CB 4.23Å; Y316-A320 HydrophobicContact CE1-CB 4.05Å; Y316-A320 WeakPolarHBondContact O-CB 3.46Å; Y316-A320 PolarHBondContact O-N 3.41Å
317	L	97.6	Very high	95.9	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.037	28%	0.279	C	S	.	.	H	α-helix	trans	-67	-38	-179.9	-73.6	176.7	0	0	0	112	I282 F283 A286 A313 G314 L319 A320 R321 Y326	I282-L317 HydrophobicContact CG2-CD1 4.35Å; I282-L317 HydrophobicContact CG2-CD2 3.92Å; F283-L317 HydrophobicContact CB-CD1 4.08Å; F283-L317 HydrophobicContact CB-CD2 4.45Å; F283-L317 HydrophobicContact CB-CG 4.19Å; A286-L317 HydrophobicContact CB-CD2 3.92Å; A313-L317 WeakPolarHBondContact O-CB 3.37Å; A313-L317 VanDerWaalsContact O-CG 3.28Å; A313-L317 WeakPolarHBondContact O-CG 3.41Å; A313-L317 PolarHBondContact O-N 3.35Å; G314-L317 PolarHBondContact O-N 3.29Å; L317-L319 VanDerWaalsContact C-N 3.28Å; L317-L319 PolarHBondContact O-N 2.66Å; L317-A320 PolarHBondContact O-N 2.76Å; L317-R321 WeakPolarHBondContact O-CB 3.5Å; L317-R321 VanDerWaalsContact O-CD 3.32Å; L317-R321 WeakPolarHBondContact O-CD 3.33Å; L317-R321 WeakPolarHBondContact O-CG 3.45Å; L317-R321 PolarHBondContact O-N 3.44Å; L317-Y326 HydrophobicContact CD2-CE2 4.29Å
318	A	97.6	Very high	96	Very high	55 Å²	55	48.6 Å²	48.6	46%	0.455	28%	0.276	S	S	.	.	H	α-helix	trans	-57.8	-42.1	173.9	0	0	0	0	0	111.5	G314 D315 T322	G314-A318 WeakPolarHBondContact O-CB 3.14Å; G314-A318 PolarHBondContact O-N 3.35Å; D315-A318 PolarHBondContact O-N 3.43Å; A318-T322 WeakPolarHBondContact O-CG2 3.19Å
319	L	97.9	Very high	96.2	Very high	14 Å²	14	46.2 Å²	46.2	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-69.3	-51	173.1	177.9	54.2	0	0	0	111.8	E303 L304 L307 D315 Y316 L317 R321 T322	E303-L319 HydrophobicContact CB-CD2 4.09Å; E303-L319 HydrophobicContact CG-CD2 4.26Å; E303-L319 WeakPolarHBondContact OE2-CD2 3.49Å; L304-L319 HydrophobicContact CD2-CB 4.33Å; L304-L319 HydrophobicContact CD2-CD2 3.71Å; L304-L319 HydrophobicContact CD2-CG 3.88Å; L304-L319 HydrophobicContact CG-CD2 3.79Å; L304-L319 HydrophobicContact CG-CG 4.32Å; L307-L319 HydrophobicContact CD1-CD2 4.14Å; D315-L319 PolarHBondContact O-N 3.38Å; Y316-L319 PolarHBondContact O-N 2.92Å; L317-L319 VanDerWaalsContact C-N 3.28Å; L317-L319 PolarHBondContact O-N 2.66Å; L319-R321 VanDerWaalsContact C-N 3.31Å; L319-R321 PolarHBondContact O-N 3.12Å; L319-T322 WeakPolarHBondContact O-CB 3.32Å; L319-T322 PolarHBondContact O-N 2.75Å; L319-T322 PolarHBondContact O-OG1 2.93Å
320	A	98	Very high	96.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-58.1	-40.6	-174.3	0	0	0	0	0	112.7	A286 Y316 L317 T322 L323 Y326	A286-A320 HydrophobicContact CB-CB 4.49Å; Y316-A320 HydrophobicContact CD1-CB 4.23Å; Y316-A320 HydrophobicContact CE1-CB 4.05Å; Y316-A320 WeakPolarHBondContact O-CB 3.46Å; Y316-A320 PolarHBondContact O-N 3.41Å; L317-A320 PolarHBondContact O-N 2.76Å; A320-T322 PolarHBondContact O-N 3.15Å; A320-T322 VanDerWaalsContact O-N 3.11Å; A320-L323 WeakPolarHBondContact O-CB 3.23Å; A320-L323 PolarHBondContact O-N 3.35Å; A320-Y326 HydrophobicContact CB-CD2 3.79Å; A320-Y326 HydrophobicContact CB-CE2 3.9Å; A320-Y326 WeakPolarHBondContact O-CB 3.49Å; A320-Y326 WeakPolarHBondContact O-CD2 3.2Å
321	R	97.6	Very high	96.7	Very high	61 Å²	61	42.3 Å²	42.3	23%	0.23	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-21	177	-72.2	164.1	-174.6	147.1	-3.5	114.1	V266 E269 L317 L319 Y326	V266-R321 HydrophobicContact CG1-CB 4.31Å; V266-R321 HydrophobicContact CG1-CG 3.96Å; E269-R321 IonicContact OE1-CZ 2.68Å; E269-R321 IonicContact OE1-NE 3.14Å; E269-R321 PolarHBondContact OE1-NE 3.34Å; E269-R321 IonicContact OE1-NH2 2.77Å; E269-R321 PolarHBondContact OE1-NH2 3.34Å; L317-R321 WeakPolarHBondContact O-CB 3.5Å; L317-R321 VanDerWaalsContact O-CD 3.32Å; L317-R321 WeakPolarHBondContact O-CD 3.33Å; L317-R321 WeakPolarHBondContact O-CG 3.45Å; L317-R321 PolarHBondContact O-N 3.44Å; L319-R321 VanDerWaalsContact C-N 3.31Å; L319-R321 PolarHBondContact O-N 3.12Å; R321-Y326 HydrophobicContact CB-CD1 4.38Å; R321-Y326 HydrophobicContact CB-CE1 4.39Å; R321-Y326 HydrophobicContact CG-CD1 3.98Å; R321-Y326 HydrophobicContact CG-CE1 3.51Å; R321-Y326 HydrophobicContact CG-CE2 4.13Å; R321-Y326 HydrophobicContact CG-CG 4.48Å
322	T	96.4	Very high	96.9	Very high	99 Å²	99	34.2 Å²	34.2	61%	0.607	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-13.7	176.8	70.6	0	0	0	0	113.3	A318 L319 A320	A318-T322 WeakPolarHBondContact O-CG2 3.19Å; L319-T322 WeakPolarHBondContact O-CB 3.32Å; L319-T322 PolarHBondContact O-N 2.75Å; L319-T322 PolarHBondContact O-OG1 2.93Å; A320-T322 PolarHBondContact O-N 3.15Å; A320-T322 VanDerWaalsContact O-N 3.11Å
323	L	97.4	Very high	96.8	Very high	19 Å²	19	33.4 Å²	33.4	10%	0.099	21%	0.206	C	C	.	.	S	Bend	trans	-88.5	148	-171.3	-61	174.1	0	0	0	112.1	I295 L304 A320 G325 Y326	I295-L323 HydrophobicContact CG2-CB 3.67Å; I295-L323 HydrophobicContact CG2-CD1 3.91Å; I295-L323 HydrophobicContact CG2-CG 4.46Å; L304-L323 HydrophobicContact CD1-CD1 3.68Å; L304-L323 HydrophobicContact CD2-CD1 4.46Å; L304-L323 HydrophobicContact CG-CD1 4.49Å; A320-L323 WeakPolarHBondContact O-CB 3.23Å; A320-L323 PolarHBondContact O-N 3.35Å; L323-G325 PolarHBondContact O-N 3.33Å; L323-Y326 PolarHBondContact O-N 3.14Å
324	P	95.4	Very high	96.9	Very high	54 Å²	54	33 Å²	33	35%	0.351	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	133.7	175.2	-19.7	31.7	0	0	0	111.7	R296	R296-P324 PolarHBondContact N-O 3.28Å
325	G	95.8	Very high	96.9	Very high	8 Å²	8	33 Å²	33	8%	0.082	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-5	179	0	0	0	0	0	114.9	L323 G327 D328	L323-G325 PolarHBondContact O-N 3.33Å; G325-G327 PolarHBondContact O-N 2.83Å; G325-D328 WeakPolarHBondContact O-CB 3.32Å; G325-D328 PolarHBondContact O-N 3.13Å
326	Y	97.8	Very high	96.9	Very high	17 Å²	17	28.4 Å²	28.4	7%	0.067	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	121.3	171.8	-175.8	-85.7	0	0	0	111	R261 V266 E269 I282 A286 I295 L317 A320 R321 L323 D328	R261-Y326 PolarHBondContact NH1-OH 3.19Å; V266-Y326 HydrophobicContact CG2-CD1 3.99Å; V266-Y326 HydrophobicContact CG2-CE1 3.96Å; E269-Y326 PolarHBondContact OE1-OH 2.95Å; E269-Y326 PolarHBondContact OE2-OH 3.38Å; I282-Y326 VanDerWaalsContact CG2-OH 3.3Å; I282-Y326 WeakPolarHBondContact CG2-OH 3.41Å; A286-Y326 HydrophobicContact CB-CE2 3.89Å; I295-Y326 HydrophobicContact CD1-CD2 3.73Å; I295-Y326 HydrophobicContact CD1-CE2 4.48Å; L317-Y326 HydrophobicContact CD2-CE2 4.29Å; A320-Y326 HydrophobicContact CB-CD2 3.79Å; A320-Y326 HydrophobicContact CB-CE2 3.9Å; A320-Y326 WeakPolarHBondContact O-CB 3.49Å; A320-Y326 WeakPolarHBondContact O-CD2 3.2Å; R321-Y326 HydrophobicContact CB-CD1 4.38Å; R321-Y326 HydrophobicContact CB-CE1 4.39Å; R321-Y326 HydrophobicContact CG-CD1 3.98Å; R321-Y326 HydrophobicContact CG-CE1 3.51Å; R321-Y326 HydrophobicContact CG-CE2 4.13Å; R321-Y326 HydrophobicContact CG-CG 4.48Å; L323-Y326 PolarHBondContact O-N 3.14Å; Y326-D328 VanDerWaalsContact C-N 3.33Å
327	G	96.3	Very high	96.7	Very high	6 Å²	6	31.6 Å²	31.6	6%	0.062	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.2	-4.8	-176.6	0	0	0	0	0	114.3	F264 G325	F264-G327 VanDerWaalsContact CD1-O 3.29Å; F264-G327 WeakPolarHBondContact CD1-O 3.46Å; G325-G327 PolarHBondContact O-N 2.83Å
328	D	97.4	Very high	96.4	Very high	17 Å²	17	33 Å²	33	9%	0.091	20%	0.197	C	C	.	.			trans	-83.6	136.1	-179.3	-67.2	13.2	0	0	0	110.9	G325 Y326 V348 G349 R354	G325-D328 WeakPolarHBondContact O-CB 3.32Å; G325-D328 PolarHBondContact O-N 3.13Å; Y326-D328 VanDerWaalsContact C-N 3.33Å; D328-V348 CarbonylContact C-O 3.56Å; D328-V348 VanDerWaalsContact CA-O 3.27Å; D328-V348 WeakPolarHBondContact CA-O 3.37Å; D328-G349 VanDerWaalsContact OD1-CA 3.3Å; D328-G349 WeakPolarHBondContact OD1-CA 3.32Å; D328-R354 IonicContact OD2-CZ 2.75Å; D328-R354 IonicContact OD2-NE 3.54Å; D328-R354 PolarHBondContact OD2-NE 2.97Å; D328-R354 IonicContact OD2-NH2 3.02Å; D328-R354 PolarHBondContact OD2-NH2 2.95Å
329	V	97.6	Very high	96	Very high	33 Å²	33	32.9 Å²	32.9	20%	0.2	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116	164.6	179.6	0	0	0	0	108	F231 F264 F331 A347 V348 F411	F231-V329 HydrophobicContact CE2-CG1 4.23Å; F264-V329 HydrophobicContact CE1-CG2 3.76Å; F264-V329 HydrophobicContact CZ-CG2 3.89Å; V329-F331 HydrophobicContact CB-CE2 4.15Å; V329-F331 HydrophobicContact CG1-CD2 4.13Å; V329-F331 HydrophobicContact CG1-CE2 3.59Å; V329-F331 HydrophobicContact CG1-CZ 4.02Å; V329-A347 WeakPolarHBondContact O-CA 3.39Å; V329-V348 PolarHBondContact N-O 2.87Å; V329-V348 PolarHBondContact O-N 3.13Å; V329-F411 HydrophobicContact CG1-CE1 3.97Å; V329-F411 HydrophobicContact CG1-CZ 4.16Å
330	V	96.6	Very high	95.4	Very high	34 Å²	34	42.4 Å²	42.4	21%	0.206	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	116.9	179.3	-174.5	0	0	0	0	109.2	F231 N294 V345 A347	F231-V330 WeakPolarHBondContact CD2-O 3.3Å; F231-V330 VanDerWaalsContact CE2-O 3.3Å; F231-V330 WeakPolarHBondContact CE2-O 3.44Å; N294-V330 HydrophobicContact CB-CG2 4.08Å; V330-V345 HydrophobicContact CG1-CG1 3.58Å; V330-A347 HydrophobicContact CG2-CB 4.19Å
331	F	97.1	Very high	94.9	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-87.1	156.1	-178.3	-72.2	-104.7	0	0	0	111.3	F231 V329 V345 P346 V348 F411 L412	F231-F331 HydrophobicContact CE1-CD1 4.27Å; F231-F331 HydrophobicContact CE2-CD1 4.18Å; F231-F331 HydrophobicContact CE2-CG 4.24Å; F231-F331 AromaticContact CZ-CD1 3.53Å; F231-F331 HydrophobicContact CZ-CD1 3.53Å; F231-F331 AromaticContact CZ-CE1 3.75Å; F231-F331 HydrophobicContact CZ-CE1 3.75Å; F231-F331 HydrophobicContact CZ-CG 4.05Å; F231-F331 HydrophobicContact CZ-CZ 4.41Å; V329-F331 HydrophobicContact CB-CE2 4.15Å; V329-F331 HydrophobicContact CG1-CD2 4.13Å; V329-F331 HydrophobicContact CG1-CE2 3.59Å; V329-F331 HydrophobicContact CG1-CZ 4.02Å; F331-V345 WeakPolarHBondContact O-CG1 3.27Å; F331-P346 HydrophobicContact CB-CB 4.08Å; F331-P346 HydrophobicContact CB-CG 4.11Å; F331-P346 HydrophobicContact CD2-CB 4.39Å; F331-P346 HydrophobicContact CG-CB 4.45Å; F331-P346 PolarHBondContact N-O 3.17Å; F331-V348 HydrophobicContact CE2-CB 4.45Å; F331-V348 HydrophobicContact CE2-CG2 4.11Å; F331-F411 AromaticContact CE1-CD1 3.67Å; F331-F411 HydrophobicContact CE1-CD1 3.67Å; F331-F411 HydrophobicContact CE1-CE1 4.2Å; F331-F411 HydrophobicContact CE1-CG 4.4Å; F331-F411 AromaticContact CZ-CD1 3.87Å; F331-F411 HydrophobicContact CZ-CD1 3.87Å; F331-F411 HydrophobicContact CZ-CE1 4.06Å; F331-L412 HydrophobicContact CD2-CD1 4.24Å; F331-L412 HydrophobicContact CE1-CB 3.75Å; F331-L412 HydrophobicContact CE1-CD1 4.35Å; F331-L412 HydrophobicContact CE2-CD1 3.69Å; F331-L412 HydrophobicContact CZ-CB 3.81Å; F331-L412 HydrophobicContact CZ-CD1 3.76Å; F331-L412 HydrophobicContact CZ-CG 4.37Å
332	P	95.7	Very high	94.6	Very high	29 Å²	29	48.1 Å²	48.1	19%	0.188	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-56.4	150.7	171.1	-27.4	38.6	0	0	0	112.2	F231 C334 Y408	F231-P332 HydrophobicContact CB-CG 3.84Å; F231-P332 HydrophobicContact CD1-CG 3.9Å; F231-P332 HydrophobicContact CD2-CG 4.31Å; F231-P332 HydrophobicContact CG-CG 3.76Å; P332-C334 PolarHBondContact O-N 3.33Å; P332-Y408 HydrophobicContact CB-CE2 4.48Å; P332-Y408 HydrophobicContact CG-CD2 4.24Å; P332-Y408 HydrophobicContact CG-CE2 3.75Å
333	H	95.6	Very high	94.6	Very high	69 Å²	69	45 Å²	45	32%	0.319	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-62.5	139.8	177.5	71	104.2	0	0	0	110.9	H343 V344 V345 C358 E360	H333-H343 HydrophobicContact CB-CB 4.23Å; H333-H343 AromaticContact CE1-ND1 3.6Å; H333-H343 AromaticContact CG-ND1 3.97Å; H333-H343 AromaticContact ND1-CE1 3.87Å; H333-H343 AromaticContact ND1-CG 3.72Å; H333-H343 AromaticContact ND1-ND1 2.94Å; H333-H343 PolarHBondContact ND1-ND1 3.25Å; H333-V344 CarbonylContact C-O 3.56Å; H333-V344 WeakPolarHBondContact CA-O 3.42Å; H333-V345 HydrophobicContact CB-CG2 3.83Å; H333-C358 VanDerWaalsContact CB-SG 3.53Å; H333-E360 PolarHBondContact CE1-O 3.46Å
334	C	95.9	Very high	94.6	Very high	8 Å²	8	44.3 Å²	44.3	5%	0.054	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-150.5	160.9	-174.7	48.5	0	0	0	0	111.9	P332 H343 V344 V404 Y405	P332-C334 PolarHBondContact O-N 3.33Å; C334-H343 CarbonylContact O-C 3.52Å; C334-H343 WeakPolarHBondContact O-CA 3.5Å; C334-H343 VanDerWaalsContact O-CB 3.27Å; C334-H343 WeakPolarHBondContact O-CB 3.42Å; C334-V344 PolarHBondContact N-O 2.53Å; C334-V344 PolarHBondContact O-N 3.3Å; C334-V404 WeakPolarHBondContact SG-CG1 3.44Å; C334-Y405 VanDerWaalsContact CB-O 3.24Å; C334-Y405 WeakPolarHBondContact CB-O 3.28Å
335	S	96.6	Very high	94.7	Very high	54 Å²	54	42.8 Å²	42.8	38%	0.378	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	145.9	175.7	-60.8	0	0	0	0	111.1	H343 Y405	S335-H343 PolarHBondContact OG-NE2 3.44Å; S335-Y405 PolarHBondContact O-N 2.7Å
336	C	96.2	Very high	94.8	Very high	7 Å²	7	42.4 Å²	42.4	5%	0.047	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	133.2	178.2	178.1	0	0	0	0	110.8	S338 R339 V344 V402 K403	C336-S338 PolarHBondContact O-N 3.35Å; C336-S338 PolarHBondContact SG-N 3.33Å; C336-S338 PolarHBondContact SG-OG 3.08Å; C336-R339 PolarHBondContact O-N 2.8Å; C336-V344 HydrophobicContact CB-CB 4.37Å; C336-V344 HydrophobicContact CB-CG1 3.98Å; C336-V344 HydrophobicContact CB-CG2 3.45Å; C336-V344 VanDerWaalsContact CB-CG2 3.45Å; C336-V402 WeakPolarHBondContact SG-CG1 3.43Å; C336-K403 WeakPolarHBondContact CA-O 3.17Å; C336-K403 PolarHBondContact SG-O 3.31Å
337	D	94.6	Very high	94.8	Very high	69 Å²	69	41.9 Å²	41.9	37%	0.369	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-6.9	-179.2	73.2	-5.9	0	0	0	113.7	R339 V402 K403 Y405	D337-R339 PolarHBondContact O-N 3.24Å; D337-V402 WeakPolarHBondContact OD1-CA 3.33Å; D337-K403 HydrophobicContact CB-CB 4.49Å; D337-K403 VanDerWaalsContact CG-N 3.26Å; D337-K403 PolarHBondContact N-O 3.07Å; D337-K403 VanDerWaalsContact N-O 3.13Å; D337-K403 PolarHBondContact OD1-N 3.03Å; D337-K403 WeakPolarHBondContact OD2-CG 3.44Å; D337-K403 PolarHBondContact OD2-N 3.19Å; D337-Y405 HydrophobicContact CB-CE2 4.33Å
338	S	90.1	Very high	94.9	Very high	35 Å²	35	41.6 Å²	41.6	25%	0.245	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-18.1	171.4	75.5	0	0	0	0	113	C336	C336-S338 PolarHBondContact O-N 3.35Å; C336-S338 PolarHBondContact SG-N 3.33Å; C336-S338 PolarHBondContact SG-OG 3.08Å
339	R	89.4	Confident	94.9	Very high	53 Å²	53	40.8 Å²	40.8	20%	0.2	21%	0.212	C	C	.	.			trans	-116.8	147.4	178	-57.3	-162.1	74.3	-155.6	0.1	111	C336 D337 E341 H343 V344 C358 E365	C336-R339 PolarHBondContact O-N 2.8Å; D337-R339 PolarHBondContact O-N 3.24Å; R339-E341 VanDerWaalsContact CZ-O 3.26Å; R339-E341 PolarHBondContact NE-O 3.47Å; R339-E341 PolarHBondContact NH1-O 3.11Å; R339-H343 WeakPolarHBondContact CD-O 3.45Å; R339-H343 PolarHBondContact NH1-O 2.86Å; R339-V344 HydrophobicContact CG-CG1 4.04Å; R339-C358 PolarHBondContact NH1-O 2.79Å; R339-E365 IonicContact CZ-OE2 3.47Å; R339-E365 IonicContact NH1-OE1 4Å; R339-E365 IonicContact NH1-OE2 3.09Å; R339-E365 IonicContact NH2-OE1 3.98Å; R339-E365 IonicContact NH2-OE2 2.91Å; R339-E365 PolarHBondContact NH2-OE2 3.15Å
340	K	85.3	Confident	94.9	Very high	214 Å²	214	40.5 Å²	40.5	93%	0.93	21%	0.209	S	C	*	.	S	Bend	trans	-84.5	-33.7	173.1	-67.3	-174	179.1	-176.9	0	112.3
341	E	87.4	Confident	94.8	Very high	165 Å²	165	47.1 Å²	47.1	77%	0.771	24%	0.235	S	C	*	.	S	Bend	trans	-139.3	149.2	-178.1	-66.7	178.8	-175	0	0	108.8	R339	R339-E341 VanDerWaalsContact CZ-O 3.26Å; R339-E341 PolarHBondContact NE-O 3.47Å; R339-E341 PolarHBondContact NH1-O 3.11Å
342	G	91.6	Very high	94.8	Very high	17 Å²	17	47.1 Å²	47.1	18%	0.175	24%	0.236	C	C	.	.	S	Bend	trans	76.8	-178.7	-177.7	0	0	0	0	0	114	C358	G342-C358 CarbonylContact C-O 3.6Å
343	H	97.1	Very high	94.9	Very high	34 Å²	34	45.8 Å²	45.8	16%	0.157	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-179.4	-176.8	-74.7	-163.6	0	0	0	111	H333 C334 S335 R339 C358	H333-H343 HydrophobicContact CB-CB 4.23Å; H333-H343 AromaticContact CE1-ND1 3.6Å; H333-H343 AromaticContact CG-ND1 3.97Å; H333-H343 AromaticContact ND1-CE1 3.87Å; H333-H343 AromaticContact ND1-CG 3.72Å; H333-H343 AromaticContact ND1-ND1 2.94Å; H333-H343 PolarHBondContact ND1-ND1 3.25Å; C334-H343 CarbonylContact O-C 3.52Å; C334-H343 WeakPolarHBondContact O-CA 3.5Å; C334-H343 VanDerWaalsContact O-CB 3.27Å; C334-H343 WeakPolarHBondContact O-CB 3.42Å; S335-H343 PolarHBondContact OG-NE2 3.44Å; R339-H343 WeakPolarHBondContact CD-O 3.45Å; R339-H343 PolarHBondContact NH1-O 2.86Å; H343-C358 CarbonylContact C-O 3.46Å; H343-C358 VanDerWaalsContact CB-SG 3.55Å; H343-C358 PolarHBondContact N-O 3.03Å; H343-C358 PolarHBondContact O-N 3.47Å
344	V	97.7	Very high	95	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.018	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.9	165.6	-62	0	0	0	0	110.1	H333 C334 C336 R339 P346 L355 H356	H333-V344 CarbonylContact C-O 3.56Å; H333-V344 WeakPolarHBondContact CA-O 3.42Å; C334-V344 PolarHBondContact N-O 2.53Å; C334-V344 PolarHBondContact O-N 3.3Å; C336-V344 HydrophobicContact CB-CB 4.37Å; C336-V344 HydrophobicContact CB-CG1 3.98Å; C336-V344 HydrophobicContact CB-CG2 3.45Å; C336-V344 VanDerWaalsContact CB-CG2 3.45Å; R339-V344 HydrophobicContact CG-CG1 4.04Å; V344-P346 HydrophobicContact CG2-CG 4.5Å; V344-P346 WeakPolarHBondContact O-CD 3.45Å; V344-L355 HydrophobicContact CB-CB 4.35Å; V344-L355 HydrophobicContact CG1-CB 4.41Å; V344-L355 HydrophobicContact CG2-CD2 4.08Å; V344-H356 CarbonylContact C-O 3.6Å; V344-H356 WeakPolarHBondContact CA-O 3.17Å
345	V	97.3	Very high	95.1	Very high	23 Å²	23	43.5 Å²	43.5	14%	0.139	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	106.7	166.1	-179.5	0	0	0	0	107.5	V330 F331 H333 H356 C358 L364	V330-V345 HydrophobicContact CG1-CG1 3.58Å; F331-V345 WeakPolarHBondContact O-CG1 3.27Å; H333-V345 HydrophobicContact CB-CG2 3.83Å; V345-H356 HydrophobicContact CB-CB 4.28Å; V345-H356 PolarHBondContact N-O 2.88Å; V345-H356 PolarHBondContact O-N 3.3Å; V345-C358 HydrophobicContact CG2-CB 4.37Å; V345-L364 HydrophobicContact CG2-CD2 3.81Å
346	P	97.9	Very high	95.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	134	174.3	-14	28.6	0	0	0	110.9	F331 V344 F353 R354 L355 V404	F331-P346 HydrophobicContact CB-CB 4.08Å; F331-P346 HydrophobicContact CB-CG 4.11Å; F331-P346 HydrophobicContact CD2-CB 4.39Å; F331-P346 HydrophobicContact CG-CB 4.45Å; F331-P346 PolarHBondContact N-O 3.17Å; V344-P346 HydrophobicContact CG2-CG 4.5Å; V344-P346 WeakPolarHBondContact O-CD 3.45Å; P346-F353 HydrophobicContact CB-CE2 3.93Å; P346-F353 HydrophobicContact CB-CZ 4.22Å; P346-R354 CarbonylContact C-O 3.6Å; P346-R354 WeakPolarHBondContact CA-O 3.24Å; P346-L355 HydrophobicContact CB-CD2 4.04Å; P346-L355 HydrophobicContact CG-CD2 4.26Å; P346-V404 HydrophobicContact CG-CG1 3.8Å
347	A	97.8	Very high	95.2	Very high	5 Å²	5	42.5 Å²	42.5	4%	0.041	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	122.9	171.3	0	0	0	0	0	109.9	V329 V330 F353 R354	V329-A347 WeakPolarHBondContact O-CA 3.39Å; V330-A347 HydrophobicContact CG2-CB 4.19Å; A347-F353 WeakPolarHBondContact O-CD2 3.43Å; A347-R354 HydrophobicContact CB-CB 4.34Å; A347-R354 PolarHBondContact N-O 3.08Å; A347-R354 PolarHBondContact O-N 3.43Å
348	V	98.3	Very high	95.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	120	-175.2	173.6	0	0	0	0	109.4	D328 V329 F331 F353 W373 L412 C415 F416 I419	D328-V348 CarbonylContact C-O 3.56Å; D328-V348 VanDerWaalsContact CA-O 3.27Å; D328-V348 WeakPolarHBondContact CA-O 3.37Å; V329-V348 PolarHBondContact N-O 2.87Å; V329-V348 PolarHBondContact O-N 3.13Å; F331-V348 HydrophobicContact CE2-CB 4.45Å; F331-V348 HydrophobicContact CE2-CG2 4.11Å; V348-F353 HydrophobicContact CB-CD2 4.44Å; V348-F353 HydrophobicContact CG2-CD2 3.44Å; V348-F353 VanDerWaalsContact CG2-CD2 3.44Å; V348-F353 HydrophobicContact CG2-CE2 3.58Å; V348-W373 HydrophobicContact CG1-CH2 3.99Å; V348-W373 HydrophobicContact CG1-CZ2 4.14Å; V348-L412 HydrophobicContact CG2-CD1 3.3Å; V348-C415 HydrophobicContact CB-CB 4.42Å; V348-C415 HydrophobicContact CG1-CB 3.8Å; V348-F416 HydrophobicContact CG1-CD2 4.34Å; V348-F416 HydrophobicContact CG1-CE2 4.48Å; V348-F416 HydrophobicContact CG2-CD2 4.25Å; V348-F416 HydrophobicContact CG2-CE2 3.81Å; V348-I419 HydrophobicContact CG1-CD1 3.31Å
349	G	97.4	Very high	95.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	20%	0.203	C	C	.	.			trans	-145.1	166.6	178.8	0	0	0	0	0	112.9	D328 K351 S352 W373	D328-G349 VanDerWaalsContact OD1-CA 3.3Å; D328-G349 WeakPolarHBondContact OD1-CA 3.32Å; G349-K351 PolarHBondContact O-N 3.38Å; G349-S352 PolarHBondContact N-O 3.01Å; G349-S352 VanDerWaalsContact N-O 3.16Å; G349-S352 PolarHBondContact O-N 3.07Å; G349-S352 VanDerWaalsContact O-N 3.14Å; G349-S352 VanDerWaalsContact O-O 3.09Å; G349-W373 VanDerWaalsContact O-CZ2 3.28Å; G349-W373 WeakPolarHBondContact O-CZ2 3.4Å; G349-W373 PolarHBondContact O-NE1 3.19Å
350	M	96.4	Very high	95.7	Very high	27 Å²	27	49 Å²	49	13%	0.133	22%	0.224	C	C	.	.	S	Bend	trans	-54.6	-34	-174.2	-175.9	54.1	107.5	0	0	113.5	F264 W373 I419 E422 R423	F264-M350 HydrophobicContact CB-CB 4.24Å; F264-M350 HydrophobicContact CB-CE 4.42Å; M350-W373 PolarHBondContact O-NE1 2.63Å; M350-I419 HydrophobicContact SD-CG2 3.95Å; M350-E422 HydrophobicContact CE-CB 3.49Å; M350-E422 VanDerWaalsContact CE-CB 3.49Å; M350-R423 HydrophobicContact CE-CG 4.42Å; M350-R423 HydrophobicContact SD-CG 3.6Å
351	K	95	Very high	96	Very high	173 Å²	173	44.1 Å²	44.1	75%	0.752	21%	0.209	S	C	*	.	S	Bend	trans	-78.9	-38.8	-179.1	-65.2	179.9	-178.3	172.8	0	113.5	G349	G349-K351 PolarHBondContact O-N 3.38Å
352	S	97.3	Very high	96.2	Very high	5 Å²	5	37.2 Å²	37.2	4%	0.035	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	158	-167.2	62.2	0	0	0	0	112.4	G349 E370 L371	G349-S352 PolarHBondContact N-O 3.01Å; G349-S352 VanDerWaalsContact N-O 3.16Å; G349-S352 PolarHBondContact O-N 3.07Å; G349-S352 VanDerWaalsContact O-N 3.14Å; G349-S352 VanDerWaalsContact O-O 3.09Å; S352-E370 PolarHBondContact OG-OE1 2.97Å; S352-L371 CarbonylContact C-O 3.53Å; S352-L371 VanDerWaalsContact CA-O 3.28Å; S352-L371 WeakPolarHBondContact CA-O 3.32Å; S352-L371 WeakPolarHBondContact CB-O 3.48Å
353	F	98.3	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.6	161.1	178.1	-132.4	0	0	0	110.5	P346 A347 V348 L355 L371 W373 I376 F390 L412 F416	P346-F353 HydrophobicContact CB-CE2 3.93Å; P346-F353 HydrophobicContact CB-CZ 4.22Å; A347-F353 WeakPolarHBondContact O-CD2 3.43Å; V348-F353 HydrophobicContact CB-CD2 4.44Å; V348-F353 HydrophobicContact CG2-CD2 3.44Å; V348-F353 VanDerWaalsContact CG2-CD2 3.44Å; V348-F353 HydrophobicContact CG2-CE2 3.58Å; F353-L355 HydrophobicContact CE1-CD2 3.95Å; F353-L355 HydrophobicContact CE1-CG 4.17Å; F353-L355 HydrophobicContact CE2-CD2 4.21Å; F353-L355 HydrophobicContact CZ-CD2 3.56Å; F353-L355 HydrophobicContact CZ-CG 4.25Å; F353-L371 HydrophobicContact CD1-CD1 4.44Å; F353-L371 PolarHBondContact N-O 3.14Å; F353-L371 PolarHBondContact O-N 3.4Å; F353-W373 HydrophobicContact CB-CH2 4.27Å; F353-I376 HydrophobicContact CB-CD1 3.99Å; F353-I376 HydrophobicContact CD1-CD1 4.29Å; F353-F390 HydrophobicContact CD1-CE1 4.39Å; F353-F390 HydrophobicContact CD1-CZ 4.27Å; F353-F390 AromaticContact CE1-CD1 3.96Å; F353-F390 HydrophobicContact CE1-CD1 3.96Å; F353-F390 AromaticContact CE1-CE1 3.55Å; F353-F390 HydrophobicContact CE1-CE1 3.55Å; F353-F390 HydrophobicContact CE1-CE2 4.4Å; F353-F390 AromaticContact CE1-CZ 3.78Å; F353-F390 HydrophobicContact CE1-CZ 3.78Å; F353-F390 HydrophobicContact CZ-CE1 4.44Å; F353-L412 HydrophobicContact CE2-CD1 4.25Å; F353-F416 HydrophobicContact CB-CZ 4.12Å; F353-F416 HydrophobicContact CD1-CE2 4.33Å; F353-F416 AromaticContact CD1-CZ 3.66Å; F353-F416 HydrophobicContact CD1-CZ 3.66Å; F353-F416 AromaticContact CD2-CE2 3.96Å; F353-F416 HydrophobicContact CD2-CE2 3.96Å; F353-F416 HydrophobicContact CD2-CZ 4.11Å; F353-F416 HydrophobicContact CE1-CE2 4.5Å; F353-F416 AromaticContact CE1-CZ 3.99Å; F353-F416 HydrophobicContact CE1-CZ 3.99Å; F353-F416 HydrophobicContact CE2-CE2 4.16Å; F353-F416 HydrophobicContact CE2-CZ 4.4Å; F353-F416 HydrophobicContact CG-CE2 4.03Å; F353-F416 AromaticContact CG-CZ 3.7Å; F353-F416 HydrophobicContact CG-CZ 3.7Å; F353-F416 HydrophobicContact CZ-CE2 4.41Å; F353-F416 HydrophobicContact CZ-CZ 4.33Å
354	R	97.8	Very high	96.2	Very high	22 Å²	22	42.6 Å²	42.6	8%	0.083	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.1	-176	-62.2	-179.1	-62.7	112.4	-2	111.1	D328 P346 A347 M368 V369 E370	D328-R354 IonicContact OD2-CZ 2.75Å; D328-R354 IonicContact OD2-NE 3.54Å; D328-R354 PolarHBondContact OD2-NE 2.97Å; D328-R354 IonicContact OD2-NH2 3.02Å; D328-R354 PolarHBondContact OD2-NH2 2.95Å; P346-R354 CarbonylContact C-O 3.6Å; P346-R354 WeakPolarHBondContact CA-O 3.24Å; A347-R354 HydrophobicContact CB-CB 4.34Å; A347-R354 PolarHBondContact N-O 3.08Å; A347-R354 PolarHBondContact O-N 3.43Å; R354-M368 HydrophobicContact CB-SD 4.44Å; R354-M368 HydrophobicContact CG-SD 4.48Å; R354-V369 CarbonylContact C-O 3.53Å; R354-V369 VanDerWaalsContact CA-O 3.29Å; R354-V369 WeakPolarHBondContact CA-O 3.43Å; R354-E370 HydrophobicContact CG-CB 4.08Å; R354-E370 HydrophobicContact CG-CG 3.85Å
355	L	97.7	Very high	96.1	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	102.2	170.6	-63	177.8	0	0	0	108.3	V344 P346 F353 V369 F390 V402 V404	V344-L355 HydrophobicContact CB-CB 4.35Å; V344-L355 HydrophobicContact CG1-CB 4.41Å; V344-L355 HydrophobicContact CG2-CD2 4.08Å; P346-L355 HydrophobicContact CB-CD2 4.04Å; P346-L355 HydrophobicContact CG-CD2 4.26Å; F353-L355 HydrophobicContact CE1-CD2 3.95Å; F353-L355 HydrophobicContact CE1-CG 4.17Å; F353-L355 HydrophobicContact CE2-CD2 4.21Å; F353-L355 HydrophobicContact CZ-CD2 3.56Å; F353-L355 HydrophobicContact CZ-CG 4.25Å; L355-V369 HydrophobicContact CB-CB 4.42Å; L355-V369 PolarHBondContact N-O 3.47Å; L355-V369 PolarHBondContact O-N 2.88Å; L355-F390 HydrophobicContact CD1-CE1 4.26Å; L355-F390 HydrophobicContact CD1-CZ 3.9Å; L355-V402 HydrophobicContact CD1-CG1 4.32Å; L355-V404 HydrophobicContact CD2-CG2 4.15Å
356	H	97	Very high	95.9	Very high	33 Å²	33	49.2 Å²	49.2	15%	0.153	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	117.8	178.5	-162.7	156.3	0	0	0	109.4	V344 V345 E365 Q367 M368	V344-H356 CarbonylContact C-O 3.6Å; V344-H356 WeakPolarHBondContact CA-O 3.17Å; V345-H356 HydrophobicContact CB-CB 4.28Å; V345-H356 PolarHBondContact N-O 2.88Å; V345-H356 PolarHBondContact O-N 3.3Å; H356-E365 PolarHBondContact CD2-O 3.31Å; H356-E365 VanDerWaalsContact CD2-O 3.27Å; H356-E365 PolarHBondContact NE2-O 2.92Å; H356-Q367 PolarHBondContact CD2-O 3.27Å; H356-M368 HydrophobicContact CB-CE 4.02Å; H356-M368 HydrophobicContact CB-CG 4.48Å; H356-M368 WeakPolarHBondContact ND1-CE 3.41Å
357	A	97.5	Very high	95.8	Very high	6 Å²	6	55.3 Å²	55.3	5%	0.05	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	139.6	175.3	0	0	0	0	0	111.5	E365 Q367	A357-E365 HydrophobicContact CB-CB 4.09Å; A357-E365 PolarHBondContact O-N 3.08Å; A357-Q367 HydrophobicContact CB-CB 3.84Å; A357-Q367 VanDerWaalsContact CB-O 3.23Å; A357-Q367 WeakPolarHBondContact CB-O 3.4Å; A357-Q367 PolarHBondContact N-O 3.47Å
358	C	96.6	Very high	95.6	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	166	173.3	58.1	0	0	0	0	110.8	H333 R339 G342 H343 V345 S363 L364	H333-C358 VanDerWaalsContact CB-SG 3.53Å; R339-C358 PolarHBondContact NH1-O 2.79Å; G342-C358 CarbonylContact C-O 3.6Å; H343-C358 CarbonylContact C-O 3.46Å; H343-C358 VanDerWaalsContact CB-SG 3.55Å; H343-C358 PolarHBondContact N-O 3.03Å; H343-C358 PolarHBondContact O-N 3.47Å; V345-C358 HydrophobicContact CG2-CB 4.37Å; C358-S363 CarbonylContact C-O 3.56Å; C358-S363 WeakPolarHBondContact CA-O 3.35Å; C358-S363 VanDerWaalsContact CB-O 3.25Å; C358-S363 WeakPolarHBondContact CB-O 3.22Å; C358-L364 HydrophobicContact CB-CD2 4.2Å
359	R	95.6	Very high	95.5	Very high	152 Å²	152	61 Å²	61	57%	0.574	32%	0.319	S	S	*	.			trans	-72	170.8	170.6	-65	179.7	-176.8	-91.8	-3.1	110.5	D361 G362 S363	R359-D361 VanDerWaalsContact CB-OD1 3.27Å; R359-D361 WeakPolarHBondContact CB-OD1 3.38Å; R359-D361 PolarHBondContact O-N 3.4Å; R359-G362 PolarHBondContact O-N 3.22Å; R359-S363 PolarHBondContact N-O 3.49Å
360	E	93.5	Very high	95.4	Very high	141 Å²	141	66.9 Å²	66.9	66%	0.659	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-18.6	176.8	-63.6	-178.1	-177.6	0	0	113.2	H333 G362	H333-E360 PolarHBondContact CE1-O 3.46Å; E360-G362 VanDerWaalsContact C-N 3.33Å
361	D	91.4	Very high	95.4	Very high	113 Å²	113	66.2 Å²	66.2	60%	0.604	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	3.6	173.1	67.6	5.9	0	0	0	113.6	R359 S363	R359-D361 VanDerWaalsContact CB-OD1 3.27Å; R359-D361 WeakPolarHBondContact CB-OD1 3.38Å; R359-D361 PolarHBondContact O-N 3.4Å; D361-S363 VanDerWaalsContact CG-OG 3.28Å; D361-S363 WeakPolarHBondContact OD1-CB 3.43Å; D361-S363 PolarHBondContact OD1-N 2.97Å; D361-S363 PolarHBondContact OD1-OG 2.83Å; D361-S363 PolarHBondContact OD2-OG 3.21Å
362	G	91.9	Very high	95.5	Very high	20 Å²	20	61.5 Å²	61.5	21%	0.206	33%	0.329	C	S	.	.			trans	85.4	-1.4	-178.5	0	0	0	0	0	115	R359 E360 L364	R359-G362 PolarHBondContact O-N 3.22Å; E360-G362 VanDerWaalsContact C-N 3.33Å; G362-L364 PolarHBondContact O-N 2.82Å
363	S	93.9	Very high	95.4	Very high	55 Å²	55	61.6 Å²	61.6	39%	0.385	33%	0.328	S	S	.	.			trans	-63.5	117.6	177.7	-59.4	0	0	0	0	111.3	C358 R359 D361	C358-S363 CarbonylContact C-O 3.56Å; C358-S363 WeakPolarHBondContact CA-O 3.35Å; C358-S363 VanDerWaalsContact CB-O 3.25Å; C358-S363 WeakPolarHBondContact CB-O 3.22Å; R359-S363 PolarHBondContact N-O 3.49Å; D361-S363 VanDerWaalsContact CG-OG 3.28Å; D361-S363 WeakPolarHBondContact OD1-CB 3.43Å; D361-S363 PolarHBondContact OD1-N 2.97Å; D361-S363 PolarHBondContact OD1-OG 2.83Å; D361-S363 PolarHBondContact OD2-OG 3.21Å
364	L	94.2	Very high	95.3	Very high	109 Å²	109	67.7 Å²	67.7	57%	0.571	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.4	141.9	-175.9	-61.9	178.8	0	0	0	112.7	V345 C358 G362	V345-L364 HydrophobicContact CG2-CD2 3.81Å; C358-L364 HydrophobicContact CB-CD2 4.2Å; G362-L364 PolarHBondContact O-N 2.82Å
365	E	95.3	Very high	95.2	Very high	55 Å²	55	67.8 Å²	67.8	26%	0.257	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	168.7	172.9	-65.4	-179.5	-176.1	0	0	111	R339 H356 A357 Q367	R339-E365 IonicContact CZ-OE2 3.47Å; R339-E365 IonicContact NH1-OE1 4Å; R339-E365 IonicContact NH1-OE2 3.09Å; R339-E365 IonicContact NH2-OE1 3.98Å; R339-E365 IonicContact NH2-OE2 2.91Å; R339-E365 PolarHBondContact NH2-OE2 3.15Å; H356-E365 PolarHBondContact CD2-O 3.31Å; H356-E365 VanDerWaalsContact CD2-O 3.27Å; H356-E365 PolarHBondContact NE2-O 2.92Å; A357-E365 HydrophobicContact CB-CB 4.09Å; A357-E365 PolarHBondContact O-N 3.08Å; E365-Q367 PolarHBondContact O-N 3.41Å
366	A	93.3	Very high	95.1	Very high	109 Å²	109	68.6 Å²	68.6	90%	0.901	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.9	-19.8	-177.9	0	0	0	0	0	114
367	Q	95.3	Very high	95.1	Very high	129 Å²	129	70.1 Å²	70.1	60%	0.603	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	128	-173.7	-63.2	167.6	8.8	0	0	110.6	H356 A357 E365	H356-Q367 PolarHBondContact CD2-O 3.27Å; A357-Q367 HydrophobicContact CB-CB 3.84Å; A357-Q367 VanDerWaalsContact CB-O 3.23Å; A357-Q367 WeakPolarHBondContact CB-O 3.4Å; A357-Q367 PolarHBondContact N-O 3.47Å; E365-Q367 PolarHBondContact O-N 3.41Å
368	M	94.6	Very high	95	Very high	61 Å²	61	77.6 Å²	77.6	30%	0.3	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	130.9	174.1	-177.9	-176.6	-67.8	0	0	108.9	R354 H356	R354-M368 HydrophobicContact CB-SD 4.44Å; R354-M368 HydrophobicContact CG-SD 4.48Å; H356-M368 HydrophobicContact CB-CE 4.02Å; H356-M368 HydrophobicContact CB-CG 4.48Å; H356-M368 WeakPolarHBondContact ND1-CE 3.41Å
369	V	94.9	Very high	95	Very high	64 Å²	64	80 Å²	80	39%	0.388	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.8	169.2	-179	0	0	0	0	107.5	R354 L355 L371	R354-V369 CarbonylContact C-O 3.53Å; R354-V369 VanDerWaalsContact CA-O 3.29Å; R354-V369 WeakPolarHBondContact CA-O 3.43Å; L355-V369 HydrophobicContact CB-CB 4.42Å; L355-V369 PolarHBondContact N-O 3.47Å; L355-V369 PolarHBondContact O-N 2.88Å; V369-L371 HydrophobicContact CG1-CD2 3.93Å; V369-L371 HydrophobicContact CG1-CG 4.06Å
370	E	96.5	Very high	95.1	Very high	122 Å²	122	78 Å²	78	57%	0.57	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.2	175.5	179.9	170.1	179.2	0	0	108.8	S352 R354	S352-E370 PolarHBondContact OG-OE1 2.97Å; R354-E370 HydrophobicContact CG-CB 4.08Å; R354-E370 HydrophobicContact CG-CG 3.85Å
371	L	96.9	Very high	95.2	Very high	13 Å²	13	73.8 Å²	73.8	7%	0.068	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.2	-177.3	-59.1	176	0	0	0	108.7	S352 F353 V369 I376 F390 Y392	S352-L371 CarbonylContact C-O 3.53Å; S352-L371 VanDerWaalsContact CA-O 3.28Å; S352-L371 WeakPolarHBondContact CA-O 3.32Å; S352-L371 WeakPolarHBondContact CB-O 3.48Å; F353-L371 HydrophobicContact CD1-CD1 4.44Å; F353-L371 PolarHBondContact N-O 3.14Å; F353-L371 PolarHBondContact O-N 3.4Å; V369-L371 HydrophobicContact CG1-CD2 3.93Å; V369-L371 HydrophobicContact CG1-CG 4.06Å; L371-I376 HydrophobicContact CB-CD1 4.17Å; L371-I376 HydrophobicContact CB-CG1 4.28Å; L371-F390 HydrophobicContact CD1-CD2 4.23Å; L371-F390 HydrophobicContact CD1-CE2 3.3Å; L371-F390 HydrophobicContact CD1-CZ 3.89Å; L371-Y392 HydrophobicContact CD1-CD1 4.07Å; L371-Y392 HydrophobicContact CD1-CD2 4.48Å; L371-Y392 HydrophobicContact CD1-CE1 4.39Å; L371-Y392 HydrophobicContact CD1-CG 4.1Å; L371-Y392 HydrophobicContact CD2-CD2 3.64Å; L371-Y392 HydrophobicContact CD2-CE2 3.79Å; L371-Y392 HydrophobicContact CD2-CG 4.08Å
372	T	95.9	Very high	95.4	Very high	74 Å²	74	70.7 Å²	70.7	45%	0.454	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	150.1	168.4	61.2	0	0	0	0	109.3	D374 S375	T372-D374 PolarHBondContact O-N 3.39Å; T372-S375 WeakPolarHBondContact O-CB 3.4Å; T372-S375 PolarHBondContact O-N 3.22Å; T372-S375 PolarHBondContact O-OG 3.33Å
373	W	96.4	Very high	95.5	Very high	8 Å²	8	77.5 Å²	77.5	3%	0.03	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-58.6	-34.5	-180	-64.6	107.7	0	0	0	113.3	V348 G349 M350 F353 S375 I376 F416 I419 M420 R423	V348-W373 HydrophobicContact CG1-CH2 3.99Å; V348-W373 HydrophobicContact CG1-CZ2 4.14Å; G349-W373 VanDerWaalsContact O-CZ2 3.28Å; G349-W373 WeakPolarHBondContact O-CZ2 3.4Å; G349-W373 PolarHBondContact O-NE1 3.19Å; M350-W373 PolarHBondContact O-NE1 2.63Å; F353-W373 HydrophobicContact CB-CH2 4.27Å; W373-S375 PolarHBondContact O-N 3.37Å; W373-I376 HydrophobicContact CE3-CD1 4.07Å; W373-I376 HydrophobicContact CZ3-CD1 4.24Å; W373-I376 PolarHBondContact O-N 2.96Å; W373-F416 HydrophobicContact CH2-CD1 4.23Å; W373-F416 AromaticContact CH2-CD2 3.89Å; W373-F416 HydrophobicContact CH2-CD2 3.89Å; W373-F416 HydrophobicContact CH2-CE1 4.23Å; W373-F416 AromaticContact CH2-CE2 3.89Å; W373-F416 HydrophobicContact CH2-CE2 3.89Å; W373-F416 HydrophobicContact CH2-CG 4.05Å; W373-F416 HydrophobicContact CH2-CZ 4.06Å; W373-F416 AromaticContact CZ3-CD1 3.56Å; W373-F416 HydrophobicContact CZ3-CD1 3.56Å; W373-F416 HydrophobicContact CZ3-CD2 4.07Å; W373-F416 AromaticContact CZ3-CE1 3.56Å; W373-F416 HydrophobicContact CZ3-CE1 3.56Å; W373-F416 HydrophobicContact CZ3-CE2 4.07Å; W373-F416 AromaticContact CZ3-CG 3.82Å; W373-F416 HydrophobicContact CZ3-CG 3.82Å; W373-F416 AromaticContact CZ3-CZ 3.81Å; W373-F416 HydrophobicContact CZ3-CZ 3.81Å; W373-I419 HydrophobicContact CD2-CG2 4.14Å; W373-I419 HydrophobicContact CH2-CB 4.46Å; W373-I419 HydrophobicContact CH2-CD1 4Å; W373-I419 HydrophobicContact CH2-CG2 4.32Å; W373-I419 HydrophobicContact CZ2-CB 4.16Å; W373-I419 HydrophobicContact CZ2-CD1 3.47Å; W373-I419 VanDerWaalsContact CZ2-CD1 3.47Å; W373-I419 HydrophobicContact CZ2-CG1 4.42Å; W373-I419 HydrophobicContact CZ2-CG2 3.68Å; W373-M420 HydrophobicContact CB-CE 3.99Å; W373-M420 HydrophobicContact CD2-CE 3.46Å; W373-M420 VanDerWaalsContact CD2-CE 3.46Å; W373-M420 HydrophobicContact CE3-CE 3.17Å; W373-M420 HydrophobicContact CG-CE 3.84Å; W373-M420 HydrophobicContact CZ3-CE 3.8Å; W373-R423 VanDerWaalsContact CB-NH1 3.26Å
374	D	94.4	Very high	95.4	Very high	128 Å²	128	84.1 Å²	84.1	68%	0.684	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-66	-20.8	177.5	-50.3	-33.8	0	0	0	112.8	T372 R423	T372-D374 PolarHBondContact O-N 3.39Å; D374-R423 IonicContact OD1-CZ 2.71Å; D374-R423 IonicContact OD1-NH2 3Å; D374-R423 PolarHBondContact OD1-NH2 2.66Å
375	S	95.8	Very high	95.3	Very high	24 Å²	24	80.8 Å²	80.8	17%	0.168	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-80.3	-24	174.9	77.2	0	0	0	0	112.7	T372 W373 Y392 N393	T372-S375 WeakPolarHBondContact O-CB 3.4Å; T372-S375 PolarHBondContact O-N 3.22Å; T372-S375 PolarHBondContact O-OG 3.33Å; W373-S375 PolarHBondContact O-N 3.37Å; S375-Y392 CarbonylContact O-C 3.42Å; S375-Y392 WeakPolarHBondContact O-CA 3.27Å; S375-Y392 WeakPolarHBondContact O-CB 3.45Å; S375-N393 PolarHBondContact O-N 3.34Å
376	I	97.2	Very high	95.3	Very high	24 Å²	24	83.8 Å²	83.8	12%	0.123	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.9	-177.4	-59.8	174.1	0	0	0	108.3	F353 L371 W373 F390 Q391 F416	F353-I376 HydrophobicContact CB-CD1 3.99Å; F353-I376 HydrophobicContact CD1-CD1 4.29Å; L371-I376 HydrophobicContact CB-CD1 4.17Å; L371-I376 HydrophobicContact CB-CG1 4.28Å; W373-I376 HydrophobicContact CE3-CD1 4.07Å; W373-I376 HydrophobicContact CZ3-CD1 4.24Å; W373-I376 PolarHBondContact O-N 2.96Å; I376-F390 HydrophobicContact CG2-CB 4.44Å; I376-Q391 CarbonylContact C-O 3.48Å; I376-Q391 WeakPolarHBondContact CA-O 3.33Å; I376-F416 HydrophobicContact CD1-CE1 4.07Å; I376-F416 HydrophobicContact CD1-CZ 4.31Å; I376-F416 HydrophobicContact CG2-CE1 4.32Å
377	T	95.8	Very high	95.5	Very high	65 Å²	65	78.6 Å²	78.6	40%	0.399	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-27.9	-174.3	53.2	0	0	0	0	113.2	Q391 N393	T377-Q391 PolarHBondContact N-O 3.31Å; T377-Q391 PolarHBondContact OG1-O 2.95Å; T377-Q391 PolarHBondContact OG1-OE1 3.47Å; T377-N393 WeakPolarHBondContact CG2-ND2 3.39Å
378	R	96.1	Very high	95.6	Very high	163 Å²	163	72.5 Å²	72.5	62%	0.615	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-149.5	148.1	-177.8	-59.6	-175.3	-177.9	-167.4	0.4	110	F390 Q391 W401	R378-F390 CarbonylContact O-C 3.43Å; R378-F390 VanDerWaalsContact O-CA 3.28Å; R378-F390 WeakPolarHBondContact O-CA 3.47Å; R378-Q391 HydrophobicContact CB-CB 4.08Å; R378-Q391 PolarHBondContact O-N 3.21Å; R378-W401 HydrophobicContact CB-CH2 3.85Å; R378-W401 HydrophobicContact CB-CZ2 4.32Å
379	S	96.9	Very high	95.8	Very high	50 Å²	50	69.7 Å²	69.7	35%	0.35	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	144.6	170.6	50.3	0	0	0	0	110.1	C389	S379-C389 CarbonylContact C-O 3.59Å; S379-C389 VanDerWaalsContact CA-O 3.27Å; S379-C389 WeakPolarHBondContact CA-O 3.37Å
380	E	96.3	Very high	95.9	Very high	111 Å²	111	66.7 Å²	66.7	52%	0.519	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	148	176	63.9	-169.9	172.3	0	0	110.6	C389	E380-C389 HydrophobicContact CG-CB 3.87Å; E380-C389 PolarHBondContact N-O 2.82Å; E380-C389 PolarHBondContact O-N 3.18Å
381	S	96.6	Very high	96	Very high	52 Å²	52	62.4 Å²	62.4	36%	0.364	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.7	171	160.2	0	0	0	0	108.8	H409	S381-H409 PolarHBondContact OG-ND1 3Å
382	D	94.9	Very high	96	Very high	49 Å²	49	63 Å²	63	26%	0.262	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	108.4	178.4	178.1	-0.8	0	0	0	109.5	E384 S385 M386 S387	D382-E384 PolarHBondContact OD1-N 2.97Å; D382-E384 VanDerWaalsContact OD1-N 3.08Å; D382-S385 PolarHBondContact OD1-N 3.09Å; D382-S385 WeakPolarHBondContact OD2-CB 3.5Å; D382-S385 PolarHBondContact OD2-OG 3.26Å; D382-M386 WeakPolarHBondContact O-CA 3.5Å; D382-M386 PolarHBondContact O-N 2.87Å; D382-M386 VanDerWaalsContact O-N 3.12Å; D382-S387 PolarHBondContact N-O 2.95Å; D382-S387 PolarHBondContact O-N 3.01Å
383	E	93.6	Very high	96	Very high	163 Å²	163	63.7 Å²	63.7	76%	0.762	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-34.3	-177.9	-169.7	176.6	-178.1	0	0	112.4	S385 M386	E383-S385 VanDerWaalsContact C-N 3.35Å; E383-S385 PolarHBondContact O-N 2.94Å; E383-M386 PolarHBondContact O-N 3.09Å
384	E	92.8	Very high	95.8	Very high	194 Å²	194	67 Å²	67	91%	0.907	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-39.2	-178.2	-174.4	177.6	-176.8	0	0	111	D382	D382-E384 PolarHBondContact OD1-N 2.97Å; D382-E384 VanDerWaalsContact OD1-N 3.08Å
385	S	92.3	Very high	95.5	Very high	39 Å²	39	66.2 Å²	66.2	27%	0.273	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2.2	177.7	69.7	0	0	0	0	114.6	D382 E383 S387	D382-S385 PolarHBondContact OD1-N 3.09Å; D382-S385 WeakPolarHBondContact OD2-CB 3.5Å; D382-S385 PolarHBondContact OD2-OG 3.26Å; E383-S385 VanDerWaalsContact C-N 3.35Å; E383-S385 PolarHBondContact O-N 2.94Å; S385-S387 PolarHBondContact O-N 3.18Å; S385-S387 WeakPolarHBondContact OG-CB 3.34Å; S385-S387 PolarHBondContact OG-OG 3.22Å
386	M	95.2	Very high	95.3	Very high	117 Å²	117	73.3 Å²	73.3	58%	0.576	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.7	51	-171.8	-67.7	-175.5	157.6	0	0	111.7	D382 E383 Y405 T406	D382-M386 WeakPolarHBondContact O-CA 3.5Å; D382-M386 PolarHBondContact O-N 2.87Å; D382-M386 VanDerWaalsContact O-N 3.12Å; E383-M386 PolarHBondContact O-N 3.09Å; M386-Y405 CarbonylContact O-C 3.45Å; M386-T406 CarbonylContact O-C 3.39Å; M386-T406 PolarHBondContact O-N 2.78Å
387	S	97.3	Very high	95.1	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	150.8	-173.5	79.2	0	0	0	0	113.2	D382 S385 V404	D382-S387 PolarHBondContact N-O 2.95Å; D382-S387 PolarHBondContact O-N 3.01Å; S385-S387 PolarHBondContact O-N 3.18Å; S385-S387 WeakPolarHBondContact OG-CB 3.34Å; S385-S387 PolarHBondContact OG-OG 3.22Å; S387-V404 CarbonylContact C-O 3.59Å; S387-V404 WeakPolarHBondContact CA-O 3.32Å; S387-V404 WeakPolarHBondContact CB-O 3.34Å
388	F	98.3	Very high	94.9	Very high	1 Å²	1	80.4 Å²	80.4	0%	0.004	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.7	168.3	-177	-101.1	0	0	0	108.8	F390 V404 H409 L412 A413 F416	F388-F390 HydrophobicContact CD1-CD1 4.21Å; F388-F390 HydrophobicContact CE1-CB 4.14Å; F388-F390 HydrophobicContact CE1-CD1 4.18Å; F388-V404 PolarHBondContact N-O 2.81Å; F388-V404 PolarHBondContact O-N 2.78Å; F388-H409 HydrophobicContact CB-CB 4.24Å; F388-L412 HydrophobicContact CB-CD2 3.6Å; F388-L412 HydrophobicContact CB-CG 4.15Å; F388-L412 HydrophobicContact CD1-CD2 3.57Å; F388-L412 HydrophobicContact CD1-CG 3.79Å; F388-L412 HydrophobicContact CD2-CB 4.4Å; F388-L412 HydrophobicContact CD2-CD2 4.43Å; F388-L412 HydrophobicContact CD2-CG 4.08Å; F388-L412 HydrophobicContact CE1-CD2 4.35Å; F388-L412 HydrophobicContact CE1-CG 4.16Å; F388-L412 HydrophobicContact CE2-CG 4.44Å; F388-L412 HydrophobicContact CG-CB 4.35Å; F388-L412 HydrophobicContact CG-CD2 3.6Å; F388-L412 HydrophobicContact CG-CG 3.72Å; F388-L412 HydrophobicContact CZ-CG 4.46Å; F388-A413 HydrophobicContact CD2-CB 4.08Å; F388-A413 HydrophobicContact CE2-CB 3.79Å; F388-F416 HydrophobicContact CE1-CD1 4.15Å; F388-F416 HydrophobicContact CE1-CD2 4.15Å; F388-F416 AromaticContact CE1-CE1 3.71Å; F388-F416 HydrophobicContact CE1-CE1 3.71Å; F388-F416 AromaticContact CE1-CE2 3.72Å; F388-F416 HydrophobicContact CE1-CE2 3.72Å; F388-F416 HydrophobicContact CE1-CG 4.36Å; F388-F416 AromaticContact CE1-CZ 3.5Å; F388-F416 HydrophobicContact CE1-CZ 3.5Å; F388-F416 VanDerWaalsContact CE1-CZ 3.5Å; F388-F416 HydrophobicContact CE2-CG 4.5Å; F388-F416 HydrophobicContact CZ-CB 4.4Å; F388-F416 AromaticContact CZ-CD1 3.57Å; F388-F416 HydrophobicContact CZ-CD1 3.57Å; F388-F416 AromaticContact CZ-CD2 3.78Å; F388-F416 HydrophobicContact CZ-CD2 3.78Å; F388-F416 AromaticContact CZ-CE1 3.63Å; F388-F416 HydrophobicContact CZ-CE1 3.63Å; F388-F416 AromaticContact CZ-CE2 3.84Å; F388-F416 HydrophobicContact CZ-CE2 3.84Å; F388-F416 AromaticContact CZ-CG 3.66Å; F388-F416 HydrophobicContact CZ-CG 3.66Å; F388-F416 AromaticContact CZ-CZ 3.78Å; F388-F416 HydrophobicContact CZ-CZ 3.78Å
389	C	97.9	Very high	94.9	Very high	3 Å²	3	74.4 Å²	74.4	2%	0.02	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	134.8	-177.8	-62.2	0	0	0	0	109.5	S379 E380 W401 V402	S379-C389 CarbonylContact C-O 3.59Å; S379-C389 VanDerWaalsContact CA-O 3.27Å; S379-C389 WeakPolarHBondContact CA-O 3.37Å; E380-C389 HydrophobicContact CG-CB 3.87Å; E380-C389 PolarHBondContact N-O 2.82Å; E380-C389 PolarHBondContact O-N 3.18Å; C389-W401 HydrophobicContact CB-CE3 4.3Å; C389-W401 HydrophobicContact CB-CZ3 4.13Å; C389-V402 WeakPolarHBondContact CA-O 3.34Å
390	F	97.9	Very high	94.8	Very high	0 Å²	0	75.8 Å²	75.8	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	149.8	172.7	69	-83.4	0	0	0	111.7	F353 L355 L371 I376 R378 F388 Y392 W401 V402 V404	F353-F390 HydrophobicContact CD1-CE1 4.39Å; F353-F390 HydrophobicContact CD1-CZ 4.27Å; F353-F390 AromaticContact CE1-CD1 3.96Å; F353-F390 HydrophobicContact CE1-CD1 3.96Å; F353-F390 AromaticContact CE1-CE1 3.55Å; F353-F390 HydrophobicContact CE1-CE1 3.55Å; F353-F390 HydrophobicContact CE1-CE2 4.4Å; F353-F390 AromaticContact CE1-CZ 3.78Å; F353-F390 HydrophobicContact CE1-CZ 3.78Å; F353-F390 HydrophobicContact CZ-CE1 4.44Å; L355-F390 HydrophobicContact CD1-CE1 4.26Å; L355-F390 HydrophobicContact CD1-CZ 3.9Å; L371-F390 HydrophobicContact CD1-CD2 4.23Å; L371-F390 HydrophobicContact CD1-CE2 3.3Å; L371-F390 HydrophobicContact CD1-CZ 3.89Å; I376-F390 HydrophobicContact CG2-CB 4.44Å; R378-F390 CarbonylContact O-C 3.43Å; R378-F390 VanDerWaalsContact O-CA 3.28Å; R378-F390 WeakPolarHBondContact O-CA 3.47Å; F388-F390 HydrophobicContact CD1-CD1 4.21Å; F388-F390 HydrophobicContact CE1-CB 4.14Å; F388-F390 HydrophobicContact CE1-CD1 4.18Å; F390-Y392 HydrophobicContact CD2-CD1 4.13Å; F390-Y392 AromaticContact CE2-CD1 3.63Å; F390-Y392 HydrophobicContact CE2-CD1 3.63Å; F390-Y392 HydrophobicContact CE2-CE1 4.12Å; F390-Y392 HydrophobicContact CE2-CG 4.48Å; F390-W401 VanDerWaalsContact C-CE3 3.42Å; F390-W401 WeakPolarHBondContact O-CA 3.32Å; F390-V402 HydrophobicContact CD1-CB 4.24Å; F390-V402 HydrophobicContact CD1-CG1 4.44Å; F390-V402 HydrophobicContact CE1-CB 3.59Å; F390-V402 HydrophobicContact CE1-CG1 3.48Å; F390-V402 VanDerWaalsContact CE1-CG1 3.48Å; F390-V402 HydrophobicContact CE2-CB 4.03Å; F390-V402 HydrophobicContact CE2-CG2 4.36Å; F390-V402 HydrophobicContact CZ-CB 3.48Å; F390-V402 VanDerWaalsContact CZ-CB 3.48Å; F390-V402 HydrophobicContact CZ-CG1 3.57Å; F390-V402 HydrophobicContact CZ-CG2 4.05Å; F390-V402 PolarHBondContact N-O 2.9Å; F390-V402 PolarHBondContact O-N 3.41Å; F390-V404 HydrophobicContact CE1-CG2 4.05Å
391	Q	97.6	Very high	94.8	Very high	33 Å²	33	75.3 Å²	75.3	15%	0.154	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	133.7	175.8	-167.4	-179.5	46.2	0	0	109.5	I376 T377 R378 A399 R400 W401	I376-Q391 CarbonylContact C-O 3.48Å; I376-Q391 WeakPolarHBondContact CA-O 3.33Å; T377-Q391 PolarHBondContact N-O 3.31Å; T377-Q391 PolarHBondContact OG1-O 2.95Å; T377-Q391 PolarHBondContact OG1-OE1 3.47Å; R378-Q391 HydrophobicContact CB-CB 4.08Å; R378-Q391 PolarHBondContact O-N 3.21Å; Q391-A399 HydrophobicContact CG-CB 3.89Å; Q391-R400 WeakPolarHBondContact CA-O 3.49Å; Q391-W401 HydrophobicContact CB-CD2 3.74Å; Q391-W401 HydrophobicContact CB-CE3 3.9Å; Q391-W401 HydrophobicContact CB-CG 4.37Å; Q391-W401 HydrophobicContact CB-CH2 4.02Å; Q391-W401 HydrophobicContact CB-CZ2 3.84Å; Q391-W401 HydrophobicContact CB-CZ3 4.04Å; Q391-W401 HydrophobicContact CG-CD2 4.15Å; Q391-W401 HydrophobicContact CG-CG 4.33Å; Q391-W401 HydrophobicContact CG-CZ2 4.41Å; Q391-W401 VanDerWaalsContact NE2-NE1 3.19Å
392	Y	96.8	Very high	94.9	Very high	26 Å²	26	72.9 Å²	72.9	10%	0.102	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	149.3	173.3	71.9	-79.6	0	0	0	112.9	L371 S375 F390 R394 A399 R400 V402	L371-Y392 HydrophobicContact CD1-CD1 4.07Å; L371-Y392 HydrophobicContact CD1-CD2 4.48Å; L371-Y392 HydrophobicContact CD1-CE1 4.39Å; L371-Y392 HydrophobicContact CD1-CG 4.1Å; L371-Y392 HydrophobicContact CD2-CD2 3.64Å; L371-Y392 HydrophobicContact CD2-CE2 3.79Å; L371-Y392 HydrophobicContact CD2-CG 4.08Å; S375-Y392 CarbonylContact O-C 3.42Å; S375-Y392 WeakPolarHBondContact O-CA 3.27Å; S375-Y392 WeakPolarHBondContact O-CB 3.45Å; F390-Y392 HydrophobicContact CD2-CD1 4.13Å; F390-Y392 AromaticContact CE2-CD1 3.63Å; F390-Y392 HydrophobicContact CE2-CD1 3.63Å; F390-Y392 HydrophobicContact CE2-CE1 4.12Å; F390-Y392 HydrophobicContact CE2-CG 4.48Å; Y392-R394 HydrophobicContact CD2-CG 4.01Å; Y392-R394 HydrophobicContact CE2-CG 3.52Å; Y392-A399 CarbonylContact O-C 3.53Å; Y392-A399 WeakPolarHBondContact O-CA 3.34Å; Y392-R400 HydrophobicContact CD1-CB 4.47Å; Y392-R400 HydrophobicContact CE1-CB 4Å; Y392-R400 HydrophobicContact CE1-CG 4.19Å; Y392-R400 PolarHBondContact N-O 2.91Å; Y392-R400 PolarHBondContact O-N 3.04Å; Y392-V402 HydrophobicContact CD1-CG2 4.44Å; Y392-V402 HydrophobicContact CE1-CG2 3.72Å
393	N	95.9	Very high	95	Very high	88 Å²	88	74 Å²	74	47%	0.471	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	142.7	175.8	-73.7	-31.7	0	0	0	110.8	S375 T377	S375-N393 PolarHBondContact O-N 3.34Å; T377-N393 WeakPolarHBondContact CG2-ND2 3.39Å
394	R	91.2	Very high	95.2	Very high	77 Å²	77	66.2 Å²	66.2	29%	0.291	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	140.9	176.3	-68.2	-178.2	-62.1	177.4	-3.6	108.8	Y392 D396 K397 P398	Y392-R394 HydrophobicContact CD2-CG 4.01Å; Y392-R394 HydrophobicContact CE2-CG 3.52Å; R394-D396 PolarHBondContact O-N 2.77Å; R394-K397 HydrophobicContact CB-CB 3.77Å; R394-K397 PolarHBondContact O-N 3.42Å; R394-K397 VanDerWaalsContact O-O 3.11Å; R394-P398 PolarHBondContact NE-O 3.12Å; R394-P398 VanDerWaalsContact NE-O 3.07Å; R394-P398 PolarHBondContact NH2-O 2.75Å
395	P	88.9	Confident	95.4	Very high	111 Å²	111	61.7 Å²	61.7	72%	0.721	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	125.8	171.8	-24.1	33.8	0	0	0	110.1	K397	P395-K397 PolarHBondContact O-N 3.21Å
396	D	91.1	Very high	95.6	Very high	174 Å²	174	60 Å²	60	93%	0.93	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	21.5	175	-49.2	-50.4	0	0	0	115.6	R394	R394-D396 PolarHBondContact O-N 2.77Å
397	K	92.9	Very high	95.5	Very high	136 Å²	136	58.6 Å²	58.6	59%	0.591	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	151.6	179.9	-70.3	179.5	-174.8	176.3	0	110.2	R394 P395	R394-K397 HydrophobicContact CB-CB 3.77Å; R394-K397 PolarHBondContact O-N 3.42Å; R394-K397 VanDerWaalsContact O-O 3.11Å; P395-K397 PolarHBondContact O-N 3.21Å
398	P	92.9	Very high	95.5	Very high	102 Å²	102	60.6 Å²	60.6	66%	0.662	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.3	148.2	172.9	25.2	-33.8	0	0	0	110.3	R394	R394-P398 PolarHBondContact NE-O 3.12Å; R394-P398 VanDerWaalsContact NE-O 3.07Å; R394-P398 PolarHBondContact NH2-O 2.75Å
399	A	95.2	Very high	95.4	Very high	37 Å²	37	61.6 Å²	61.6	31%	0.306	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.2	141.9	174.4	0	0	0	0	0	110.4	Q391 Y392	Q391-A399 HydrophobicContact CG-CB 3.89Å; Y392-A399 CarbonylContact O-C 3.53Å; Y392-A399 WeakPolarHBondContact O-CA 3.34Å
400	R	95.6	Very high	95.4	Very high	79 Å²	79	63.7 Å²	63.7	30%	0.298	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.7	-176.3	179.2	177.5	-177.8	-175.5	6.4	109.6	Q391 Y392 V402	Q391-R400 WeakPolarHBondContact CA-O 3.49Å; Y392-R400 HydrophobicContact CD1-CB 4.47Å; Y392-R400 HydrophobicContact CE1-CB 4Å; Y392-R400 HydrophobicContact CE1-CG 4.19Å; Y392-R400 PolarHBondContact N-O 2.91Å; Y392-R400 PolarHBondContact O-N 3.04Å; R400-V402 HydrophobicContact CG-CG2 4.2Å
401	W	96.6	Very high	95.4	Very high	100 Å²	100	64.1 Å²	64.1	38%	0.379	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	140.6	163.6	-77.7	101.4	0	0	0	110.3	R378 C389 F390 Q391	R378-W401 HydrophobicContact CB-CH2 3.85Å; R378-W401 HydrophobicContact CB-CZ2 4.32Å; C389-W401 HydrophobicContact CB-CE3 4.3Å; C389-W401 HydrophobicContact CB-CZ3 4.13Å; F390-W401 VanDerWaalsContact C-CE3 3.42Å; F390-W401 WeakPolarHBondContact O-CA 3.32Å; Q391-W401 HydrophobicContact CB-CD2 3.74Å; Q391-W401 HydrophobicContact CB-CE3 3.9Å; Q391-W401 HydrophobicContact CB-CG 4.37Å; Q391-W401 HydrophobicContact CB-CH2 4.02Å; Q391-W401 HydrophobicContact CB-CZ2 3.84Å; Q391-W401 HydrophobicContact CB-CZ3 4.04Å; Q391-W401 HydrophobicContact CG-CD2 4.15Å; Q391-W401 HydrophobicContact CG-CG 4.33Å; Q391-W401 HydrophobicContact CG-CZ2 4.41Å; Q391-W401 VanDerWaalsContact NE2-NE1 3.19Å
402	V	97.1	Very high	95.4	Very high	1 Å²	1	62.5 Å²	62.5	1%	0.006	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	139.6	172.8	173	0	0	0	0	108.3	C336 D337 L355 C389 F390 Y392 R400	C336-V402 WeakPolarHBondContact SG-CG1 3.43Å; D337-V402 WeakPolarHBondContact OD1-CA 3.33Å; L355-V402 HydrophobicContact CD1-CG1 4.32Å; C389-V402 WeakPolarHBondContact CA-O 3.34Å; F390-V402 HydrophobicContact CD1-CB 4.24Å; F390-V402 HydrophobicContact CD1-CG1 4.44Å; F390-V402 HydrophobicContact CE1-CB 3.59Å; F390-V402 HydrophobicContact CE1-CG1 3.48Å; F390-V402 VanDerWaalsContact CE1-CG1 3.48Å; F390-V402 HydrophobicContact CE2-CB 4.03Å; F390-V402 HydrophobicContact CE2-CG2 4.36Å; F390-V402 HydrophobicContact CZ-CB 3.48Å; F390-V402 VanDerWaalsContact CZ-CB 3.48Å; F390-V402 HydrophobicContact CZ-CG1 3.57Å; F390-V402 HydrophobicContact CZ-CG2 4.05Å; F390-V402 PolarHBondContact N-O 2.9Å; F390-V402 PolarHBondContact O-N 3.41Å; Y392-V402 HydrophobicContact CD1-CG2 4.44Å; Y392-V402 HydrophobicContact CE1-CG2 3.72Å; R400-V402 HydrophobicContact CG-CG2 4.2Å
403	K	97.5	Very high	95.5	Very high	73 Å²	73	62 Å²	62	32%	0.317	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	129.4	174.5	-58.8	-162.4	172.9	-160	0	110.4	C336 D337 Y405	C336-K403 WeakPolarHBondContact CA-O 3.17Å; C336-K403 PolarHBondContact SG-O 3.31Å; D337-K403 HydrophobicContact CB-CB 4.49Å; D337-K403 VanDerWaalsContact CG-N 3.26Å; D337-K403 PolarHBondContact N-O 3.07Å; D337-K403 VanDerWaalsContact N-O 3.13Å; D337-K403 PolarHBondContact OD1-N 3.03Å; D337-K403 WeakPolarHBondContact OD2-CG 3.44Å; D337-K403 PolarHBondContact OD2-N 3.19Å; K403-Y405 HydrophobicContact CB-CE2 4.05Å
404	V	98	Very high	95.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	111.6	174.1	-179.2	0	0	0	0	107.4	C334 P346 L355 S387 F388 F390 T406	C334-V404 WeakPolarHBondContact SG-CG1 3.44Å; P346-V404 HydrophobicContact CG-CG1 3.8Å; L355-V404 HydrophobicContact CD2-CG2 4.15Å; S387-V404 CarbonylContact C-O 3.59Å; S387-V404 WeakPolarHBondContact CA-O 3.32Å; S387-V404 WeakPolarHBondContact CB-O 3.34Å; F388-V404 PolarHBondContact N-O 2.81Å; F388-V404 PolarHBondContact O-N 2.78Å; F390-V404 HydrophobicContact CE1-CG2 4.05Å; V404-T406 HydrophobicContact CG1-CG2 4.12Å; V404-T406 PolarHBondContact O-N 2.68Å
405	Y	97.4	Very high	95.9	Very high	99 Å²	99	55.9 Å²	55.9	39%	0.388	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	93.9	-174.2	-61.9	-84.5	0	0	0	110	C334 S335 D337 M386 K403	C334-Y405 VanDerWaalsContact CB-O 3.24Å; C334-Y405 WeakPolarHBondContact CB-O 3.28Å; S335-Y405 PolarHBondContact O-N 2.7Å; D337-Y405 HydrophobicContact CB-CE2 4.33Å; M386-Y405 CarbonylContact O-C 3.45Å; K403-Y405 HydrophobicContact CB-CE2 4.05Å
406	T	95.5	Very high	96.4	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	26%	0.262	C	S	.	.			trans	-137.8	136.6	-173.3	177.2	0	0	0	0	110.6	M386 V404 Y408 H409 L412	M386-T406 CarbonylContact O-C 3.39Å; M386-T406 PolarHBondContact O-N 2.78Å; V404-T406 HydrophobicContact CG1-CG2 4.12Å; V404-T406 PolarHBondContact O-N 2.68Å; T406-Y408 PolarHBondContact O-N 3.29Å; T406-Y408 PolarHBondContact OG1-N 3.43Å; T406-H409 HydrophobicContact CG2-CB 4.23Å; T406-H409 WeakPolarHBondContact O-CB 3.41Å; T406-H409 PolarHBondContact O-CD2 2.91Å; T406-H409 VanDerWaalsContact O-CD2 3.31Å; T406-H409 PolarHBondContact O-N 2.96Å; T406-H409 VanDerWaalsContact O-N 3.16Å; T406-L412 HydrophobicContact CG2-CD2 4.33Å
407	P	94.6	Very high	96.7	Very high	89 Å²	89	47.4 Å²	47.4	58%	0.578	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-12.9	174.5	29.5	-35.7	0	0	0	112.2
408	Y	96.3	Very high	96.9	Very high	42 Å²	42	41.7 Å²	41.7	17%	0.165	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	22.2	178.7	-49.4	-68.9	0	0	0	112.9	V227 F231 R233 P332 T406 A410 F411 L412	V227-Y408 HydrophobicContact CG1-CE1 4.43Å; V227-Y408 HydrophobicContact CG2-CE1 4.09Å; V227-Y408 WeakPolarHBondContact CG2-OH 3.36Å; F231-Y408 HydrophobicContact CD1-CD1 4.25Å; F231-Y408 HydrophobicContact CD1-CD2 4.13Å; F231-Y408 HydrophobicContact CD1-CE1 4.07Å; F231-Y408 AromaticContact CD1-CE2 3.95Å; F231-Y408 HydrophobicContact CD1-CE2 3.95Å; F231-Y408 HydrophobicContact CD1-CG 4.28Å; F231-Y408 AromaticContact CD1-CZ 3.92Å; F231-Y408 AromaticContact CE1-CD1 3.77Å; F231-Y408 HydrophobicContact CE1-CD1 3.77Å; F231-Y408 AromaticContact CE1-CD2 3.79Å; F231-Y408 HydrophobicContact CE1-CD2 3.79Å; F231-Y408 HydrophobicContact CE1-CE1 4.07Å; F231-Y408 HydrophobicContact CE1-CE2 4.1Å; F231-Y408 AromaticContact CE1-CG 3.62Å; F231-Y408 HydrophobicContact CE1-CG 3.62Å; R233-Y408 HydrophobicContact CB-CD1 4.41Å; P332-Y408 HydrophobicContact CB-CE2 4.48Å; P332-Y408 HydrophobicContact CG-CD2 4.24Å; P332-Y408 HydrophobicContact CG-CE2 3.75Å; T406-Y408 PolarHBondContact O-N 3.29Å; T406-Y408 PolarHBondContact OG1-N 3.43Å; Y408-A410 VanDerWaalsContact C-N 3.29Å; Y408-A410 PolarHBondContact O-N 3.33Å; Y408-F411 PolarHBondContact O-N 2.82Å; Y408-F411 VanDerWaalsContact O-N 3.08Å; Y408-L412 PolarHBondContact O-N 3.02Å
409	H	97.6	Very high	97.1	Very high	21 Å²	21	36.8 Å²	36.8	10%	0.097	19%	0.187	C	C	.	.	H	α-helix	trans	-57.1	-38.9	-175.5	61.5	88.2	0	0	0	113.2	S381 F388 T406 L412 A413	S381-H409 PolarHBondContact OG-ND1 3Å; F388-H409 HydrophobicContact CB-CB 4.24Å; T406-H409 HydrophobicContact CG2-CB 4.23Å; T406-H409 WeakPolarHBondContact O-CB 3.41Å; T406-H409 PolarHBondContact O-CD2 2.91Å; T406-H409 VanDerWaalsContact O-CD2 3.31Å; T406-H409 PolarHBondContact O-N 2.96Å; T406-H409 VanDerWaalsContact O-N 3.16Å; H409-L412 PolarHBondContact O-N 3.33Å; H409-A413 PolarHBondContact O-N 3.43Å
410	A	96.8	Very high	97.2	Very high	47 Å²	47	38.3 Å²	38.3	39%	0.388	19%	0.188	S	C	.	.	H	α-helix	trans	-65.7	-42.6	175.9	0	0	0	0	0	111.9	Y408 L412 A413 D414	Y408-A410 VanDerWaalsContact C-N 3.29Å; Y408-A410 PolarHBondContact O-N 3.33Å; A410-L412 VanDerWaalsContact C-N 3.34Å; A410-L412 PolarHBondContact O-N 2.81Å; A410-A413 WeakPolarHBondContact O-CB 3.3Å; A410-A413 PolarHBondContact O-N 2.87Å; A410-D414 PolarHBondContact O-N 2.75Å
411	F	97.8	Very high	97.2	Very high	9 Å²	9	38.6 Å²	38.6	4%	0.039	19%	0.193	C	C	.	.	H	α-helix	trans	-68.9	-34.1	176.9	177.8	-132.6	0	0	0	112.3	F224 F231 E232 R233 K234 W262 V329 F331 Y408 A413 D414 C415	F224-F411 HydrophobicContact CE1-CE2 4.21Å; F224-F411 AromaticContact CE1-CZ 3.87Å; F224-F411 HydrophobicContact CE1-CZ 3.87Å; F231-F411 HydrophobicContact CE1-CD1 4.18Å; F231-F411 HydrophobicContact CE1-CE1 4.38Å; F231-F411 HydrophobicContact CE2-CE1 4.36Å; F231-F411 AromaticContact CZ-CD1 3.75Å; F231-F411 HydrophobicContact CZ-CD1 3.75Å; F231-F411 AromaticContact CZ-CE1 3.67Å; F231-F411 HydrophobicContact CZ-CE1 3.67Å; E232-F411 WeakPolarHBondContact O-CE1 3.48Å; R233-F411 HydrophobicContact CB-CB 4.4Å; R233-F411 HydrophobicContact CB-CD1 3.73Å; R233-F411 HydrophobicContact CB-CE1 4.23Å; R233-F411 HydrophobicContact CB-CG 4.06Å; K234-F411 HydrophobicContact CB-CD2 3.69Å; K234-F411 HydrophobicContact CB-CE2 3.35Å; K234-F411 HydrophobicContact CB-CZ 4.2Å; W262-F411 HydrophobicContact CH2-CE2 4.2Å; W262-F411 AromaticContact CZ3-CE2 3.85Å; W262-F411 HydrophobicContact CZ3-CE2 3.85Å; W262-F411 HydrophobicContact CZ3-CZ 4.48Å; V329-F411 HydrophobicContact CG1-CE1 3.97Å; V329-F411 HydrophobicContact CG1-CZ 4.16Å; F331-F411 AromaticContact CE1-CD1 3.67Å; F331-F411 HydrophobicContact CE1-CD1 3.67Å; F331-F411 HydrophobicContact CE1-CE1 4.2Å; F331-F411 HydrophobicContact CE1-CG 4.4Å; F331-F411 AromaticContact CZ-CD1 3.87Å; F331-F411 HydrophobicContact CZ-CD1 3.87Å; F331-F411 HydrophobicContact CZ-CE1 4.06Å; Y408-F411 PolarHBondContact O-N 2.82Å; Y408-F411 VanDerWaalsContact O-N 3.08Å; F411-A413 VanDerWaalsContact C-N 3.33Å; F411-D414 HydrophobicContact CD2-CB 4.42Å; F411-D414 PolarHBondContact O-N 3.11Å; F411-C415 PolarHBondContact O-N 3Å; F411-C415 PolarHBondContact O-SG 3.48Å
412	L	98.3	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-62.5	-41.5	171.9	-179.8	52.2	0	0	0	111.4	F331 V348 F353 F388 T406 Y408 H409 A410 C415 F416	F331-L412 HydrophobicContact CD2-CD1 4.24Å; F331-L412 HydrophobicContact CE1-CB 3.75Å; F331-L412 HydrophobicContact CE1-CD1 4.35Å; F331-L412 HydrophobicContact CE2-CD1 3.69Å; F331-L412 HydrophobicContact CZ-CB 3.81Å; F331-L412 HydrophobicContact CZ-CD1 3.76Å; F331-L412 HydrophobicContact CZ-CG 4.37Å; V348-L412 HydrophobicContact CG2-CD1 3.3Å; F353-L412 HydrophobicContact CE2-CD1 4.25Å; F388-L412 HydrophobicContact CB-CD2 3.6Å; F388-L412 HydrophobicContact CB-CG 4.15Å; F388-L412 HydrophobicContact CD1-CD2 3.57Å; F388-L412 HydrophobicContact CD1-CG 3.79Å; F388-L412 HydrophobicContact CD2-CB 4.4Å; F388-L412 HydrophobicContact CD2-CD2 4.43Å; F388-L412 HydrophobicContact CD2-CG 4.08Å; F388-L412 HydrophobicContact CE1-CD2 4.35Å; F388-L412 HydrophobicContact CE1-CG 4.16Å; F388-L412 HydrophobicContact CE2-CG 4.44Å; F388-L412 HydrophobicContact CG-CB 4.35Å; F388-L412 HydrophobicContact CG-CD2 3.6Å; F388-L412 HydrophobicContact CG-CG 3.72Å; F388-L412 HydrophobicContact CZ-CG 4.46Å; T406-L412 HydrophobicContact CG2-CD2 4.33Å; Y408-L412 PolarHBondContact O-N 3.02Å; H409-L412 PolarHBondContact O-N 3.33Å; A410-L412 VanDerWaalsContact C-N 3.34Å; A410-L412 PolarHBondContact O-N 2.81Å; L412-C415 PolarHBondContact O-N 3.41Å; L412-F416 HydrophobicContact CD1-CD2 4.19Å; L412-F416 HydrophobicContact CD1-CE2 3.94Å; L412-F416 WeakPolarHBondContact O-CD2 3.21Å; L412-F416 PolarHBondContact O-N 3.12Å; L412-F416 VanDerWaalsContact O-N 3.15Å
413	A	98.1	Very high	97	Very high	15 Å²	15	37 Å²	37	12%	0.124	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-45	172.6	0	0	0	0	0	112.4	F388 H409 A410 F411 C415 F416 D417	F388-A413 HydrophobicContact CD2-CB 4.08Å; F388-A413 HydrophobicContact CE2-CB 3.79Å; H409-A413 PolarHBondContact O-N 3.43Å; A410-A413 WeakPolarHBondContact O-CB 3.3Å; A410-A413 PolarHBondContact O-N 2.87Å; F411-A413 VanDerWaalsContact C-N 3.33Å; A413-C415 PolarHBondContact O-N 3.29Å; A413-F416 WeakPolarHBondContact O-CA 3.45Å; A413-F416 WeakPolarHBondContact O-CB 3.41Å; A413-F416 PolarHBondContact O-N 3.09Å; A413-D417 PolarHBondContact O-N 3.38Å
414	D	97.9	Very high	96.8	Very high	37 Å²	37	40 Å²	40	20%	0.198	20%	0.2	C	C	.	.	H	α-helix	trans	-56.6	-38.4	175.2	-76.5	-2	0	0	0	112.2	Q236 W262 A410 F411 R418	Q236-D414 PolarHBondContact NE2-OD2 2.86Å; W262-D414 HydrophobicContact CH2-CB 4.16Å; W262-D414 HydrophobicContact CZ2-CB 4.36Å; A410-D414 PolarHBondContact O-N 2.75Å; F411-D414 HydrophobicContact CD2-CB 4.42Å; F411-D414 PolarHBondContact O-N 3.11Å; D414-R418 VanDerWaalsContact O-CB 3.28Å; D414-R418 WeakPolarHBondContact O-CB 3.19Å; D414-R418 PolarHBondContact O-N 2.85Å
415	C	98.6	Very high	96.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-65.9	-40.8	176	-65.2	0	0	0	0	111.8	F264 V348 F411 L412 A413 I419	F264-C415 HydrophobicContact CZ-CB 4.14Å; V348-C415 HydrophobicContact CB-CB 4.42Å; V348-C415 HydrophobicContact CG1-CB 3.8Å; F411-C415 PolarHBondContact O-N 3Å; F411-C415 PolarHBondContact O-SG 3.48Å; L412-C415 PolarHBondContact O-N 3.41Å; A413-C415 PolarHBondContact O-N 3.29Å; C415-I419 WeakPolarHBondContact O-CB 3.5Å; C415-I419 VanDerWaalsContact O-CG1 3.31Å; C415-I419 WeakPolarHBondContact O-CG1 3.36Å; C415-I419 PolarHBondContact O-N 3.02Å
416	F	98.4	Very high	95.2	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-62.3	-50.6	174.7	-90.9	-127.5	0	0	0	111	V348 F353 W373 I376 F388 L412 A413 R418 I419 M420	V348-F416 HydrophobicContact CG1-CD2 4.34Å; V348-F416 HydrophobicContact CG1-CE2 4.48Å; V348-F416 HydrophobicContact CG2-CD2 4.25Å; V348-F416 HydrophobicContact CG2-CE2 3.81Å; F353-F416 HydrophobicContact CB-CZ 4.12Å; F353-F416 HydrophobicContact CD1-CE2 4.33Å; F353-F416 AromaticContact CD1-CZ 3.66Å; F353-F416 HydrophobicContact CD1-CZ 3.66Å; F353-F416 AromaticContact CD2-CE2 3.96Å; F353-F416 HydrophobicContact CD2-CE2 3.96Å; F353-F416 HydrophobicContact CD2-CZ 4.11Å; F353-F416 HydrophobicContact CE1-CE2 4.5Å; F353-F416 AromaticContact CE1-CZ 3.99Å; F353-F416 HydrophobicContact CE1-CZ 3.99Å; F353-F416 HydrophobicContact CE2-CE2 4.16Å; F353-F416 HydrophobicContact CE2-CZ 4.4Å; F353-F416 HydrophobicContact CG-CE2 4.03Å; F353-F416 AromaticContact CG-CZ 3.7Å; F353-F416 HydrophobicContact CG-CZ 3.7Å; F353-F416 HydrophobicContact CZ-CE2 4.41Å; F353-F416 HydrophobicContact CZ-CZ 4.33Å; W373-F416 HydrophobicContact CH2-CD1 4.23Å; W373-F416 AromaticContact CH2-CD2 3.89Å; W373-F416 HydrophobicContact CH2-CD2 3.89Å; W373-F416 HydrophobicContact CH2-CE1 4.23Å; W373-F416 AromaticContact CH2-CE2 3.89Å; W373-F416 HydrophobicContact CH2-CE2 3.89Å; W373-F416 HydrophobicContact CH2-CG 4.05Å; W373-F416 HydrophobicContact CH2-CZ 4.06Å; W373-F416 AromaticContact CZ3-CD1 3.56Å; W373-F416 HydrophobicContact CZ3-CD1 3.56Å; W373-F416 HydrophobicContact CZ3-CD2 4.07Å; W373-F416 AromaticContact CZ3-CE1 3.56Å; W373-F416 HydrophobicContact CZ3-CE1 3.56Å; W373-F416 HydrophobicContact CZ3-CE2 4.07Å; W373-F416 AromaticContact CZ3-CG 3.82Å; W373-F416 HydrophobicContact CZ3-CG 3.82Å; W373-F416 AromaticContact CZ3-CZ 3.81Å; W373-F416 HydrophobicContact CZ3-CZ 3.81Å; I376-F416 HydrophobicContact CD1-CE1 4.07Å; I376-F416 HydrophobicContact CD1-CZ 4.31Å; I376-F416 HydrophobicContact CG2-CE1 4.32Å; F388-F416 HydrophobicContact CE1-CD1 4.15Å; F388-F416 HydrophobicContact CE1-CD2 4.15Å; F388-F416 AromaticContact CE1-CE1 3.71Å; F388-F416 HydrophobicContact CE1-CE1 3.71Å; F388-F416 AromaticContact CE1-CE2 3.72Å; F388-F416 HydrophobicContact CE1-CE2 3.72Å; F388-F416 HydrophobicContact CE1-CG 4.36Å; F388-F416 AromaticContact CE1-CZ 3.5Å; F388-F416 HydrophobicContact CE1-CZ 3.5Å; F388-F416 VanDerWaalsContact CE1-CZ 3.5Å; F388-F416 HydrophobicContact CE2-CG 4.5Å; F388-F416 HydrophobicContact CZ-CB 4.4Å; F388-F416 AromaticContact CZ-CD1 3.57Å; F388-F416 HydrophobicContact CZ-CD1 3.57Å; F388-F416 AromaticContact CZ-CD2 3.78Å; F388-F416 HydrophobicContact CZ-CD2 3.78Å; F388-F416 AromaticContact CZ-CE1 3.63Å; F388-F416 HydrophobicContact CZ-CE1 3.63Å; F388-F416 AromaticContact CZ-CE2 3.84Å; F388-F416 HydrophobicContact CZ-CE2 3.84Å; F388-F416 AromaticContact CZ-CG 3.66Å; F388-F416 HydrophobicContact CZ-CG 3.66Å; F388-F416 AromaticContact CZ-CZ 3.78Å; F388-F416 HydrophobicContact CZ-CZ 3.78Å; L412-F416 HydrophobicContact CD1-CD2 4.19Å; L412-F416 HydrophobicContact CD1-CE2 3.94Å; L412-F416 WeakPolarHBondContact O-CD2 3.21Å; L412-F416 PolarHBondContact O-N 3.12Å; L412-F416 VanDerWaalsContact O-N 3.15Å; A413-F416 WeakPolarHBondContact O-CA 3.45Å; A413-F416 WeakPolarHBondContact O-CB 3.41Å; A413-F416 PolarHBondContact O-N 3.09Å; F416-R418 VanDerWaalsContact C-N 3.31Å; F416-R418 PolarHBondContact O-N 3.11Å; F416-I419 PolarHBondContact O-N 2.88Å; F416-M420 WeakPolarHBondContact O-CG 3.49Å; F416-M420 PolarHBondContact O-N 2.97Å
417	D	97.3	Very high	93.6	Very high	103 Å²	103	49.2 Å²	49.2	55%	0.551	25%	0.249	S	C	*	.	H	α-helix	trans	-59.7	-43.9	-179.4	-75.2	-15.5	0	0	0	111.2	A413 M420 E421	A413-D417 PolarHBondContact O-N 3.38Å; D417-M420 PolarHBondContact O-N 3.39Å; D417-E421 PolarHBondContact O-N 3.25Å
418	R	97.6	Very high	91.9	Very high	15 Å²	15	48.2 Å²	48.2	6%	0.057	24%	0.244	C	C	.	.	H	α-helix	trans	-61.7	-48	175.5	-177.8	54.6	171.1	-165.8	-11.9	111.7	Q219 W262 F264 D414 F416 M420 E421 E422	Q219-R418 PolarHBondContact O-NH2 3.49Å; W262-R418 HydrophobicContact CD2-CG 4.38Å; W262-R418 HydrophobicContact CH2-CB 4Å; W262-R418 HydrophobicContact CH2-CG 4.41Å; W262-R418 HydrophobicContact CZ2-CB 3.44Å; W262-R418 VanDerWaalsContact CZ2-CB 3.44Å; W262-R418 HydrophobicContact CZ2-CG 3.76Å; W262-R418 PolarHBondContact O-NH2 2.92Å; W262-R418 VanDerWaalsContact O-NH2 3.09Å; F264-R418 HydrophobicContact CD2-CB 4.5Å; F264-R418 HydrophobicContact CD2-CG 3.82Å; F264-R418 HydrophobicContact CE2-CB 4.15Å; F264-R418 HydrophobicContact CE2-CG 3.79Å; D414-R418 VanDerWaalsContact O-CB 3.28Å; D414-R418 WeakPolarHBondContact O-CB 3.19Å; D414-R418 PolarHBondContact O-N 2.85Å; F416-R418 VanDerWaalsContact C-N 3.31Å; F416-R418 PolarHBondContact O-N 3.11Å; R418-M420 VanDerWaalsContact C-N 3.3Å; R418-M420 PolarHBondContact O-N 2.95Å; R418-E421 WeakPolarHBondContact CD-OE2 3.46Å; R418-E421 IonicContact CZ-OE2 3.06Å; R418-E421 IonicContact NE-OE2 3.71Å; R418-E421 IonicContact NH1-OE1 3.28Å; R418-E421 IonicContact NH1-OE2 3.98Å; R418-E421 PolarHBondContact NH1-OE2 3.42Å; R418-E421 WeakPolarHBondContact O-CA 3.45Å; R418-E421 VanDerWaalsContact O-CB 3.32Å; R418-E421 WeakPolarHBondContact O-CB 3.37Å; R418-E421 PolarHBondContact O-N 2.85Å; R418-E421 VanDerWaalsContact O-N 3.09Å; R418-E422 WeakPolarHBondContact CD-OE1 3.44Å; R418-E422 HydrophobicContact CG-CG 4.23Å; R418-E422 WeakPolarHBondContact CG-OE1 3.36Å; R418-E422 IonicContact CZ-OE1 3.41Å; R418-E422 IonicContact NE-OE1 3.86Å; R418-E422 PolarHBondContact NE-OE1 2.98Å; R418-E422 IonicContact NH2-OE1 2.73Å; R418-E422 VanDerWaalsContact O-CG 3.31Å; R418-E422 WeakPolarHBondContact O-CG 3.44Å; R418-E422 PolarHBondContact O-N 2.72Å
419	I	97.5	Very high	89.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.9	-38.2	179	-70.7	170.7	0	0	0	111.6	F264 V348 M350 W373 C415 F416 E421 E422 R423	F264-I419 HydrophobicContact CB-CG1 4Å; F264-I419 HydrophobicContact CD1-CD1 3.7Å; F264-I419 HydrophobicContact CD1-CG1 3.82Å; F264-I419 HydrophobicContact CD2-CG1 3.81Å; F264-I419 HydrophobicContact CE1-CD1 3.86Å; F264-I419 HydrophobicContact CE1-CG1 4.19Å; F264-I419 HydrophobicContact CE2-CG1 4.2Å; F264-I419 HydrophobicContact CG-CD1 4.04Å; F264-I419 HydrophobicContact CG-CG1 3.6Å; F264-I419 HydrophobicContact CZ-CD1 4.35Å; F264-I419 HydrophobicContact CZ-CG1 4.37Å; V348-I419 HydrophobicContact CG1-CD1 3.31Å; M350-I419 HydrophobicContact SD-CG2 3.95Å; W373-I419 HydrophobicContact CD2-CG2 4.14Å; W373-I419 HydrophobicContact CH2-CB 4.46Å; W373-I419 HydrophobicContact CH2-CD1 4Å; W373-I419 HydrophobicContact CH2-CG2 4.32Å; W373-I419 HydrophobicContact CZ2-CB 4.16Å; W373-I419 HydrophobicContact CZ2-CD1 3.47Å; W373-I419 VanDerWaalsContact CZ2-CD1 3.47Å; W373-I419 HydrophobicContact CZ2-CG1 4.42Å; W373-I419 HydrophobicContact CZ2-CG2 3.68Å; C415-I419 WeakPolarHBondContact O-CB 3.5Å; C415-I419 VanDerWaalsContact O-CG1 3.31Å; C415-I419 WeakPolarHBondContact O-CG1 3.36Å; C415-I419 PolarHBondContact O-N 3.02Å; F416-I419 PolarHBondContact O-N 2.88Å; I419-E421 VanDerWaalsContact C-N 3.3Å; I419-E421 PolarHBondContact O-N 3.44Å; I419-E422 PolarHBondContact O-N 2.87Å; I419-R423 HydrophobicContact CG2-CG 4.22Å; I419-R423 WeakPolarHBondContact O-CB 3.5Å; I419-R423 VanDerWaalsContact O-CG 3.26Å; I419-R423 WeakPolarHBondContact O-CG 3.17Å; I419-R423 PolarHBondContact O-N 3.21Å
420	M	96.3	Very high	87.3	Confident	68 Å²	68	55.7 Å²	55.7	34%	0.335	31%	0.305	S	S	.	.	H	α-helix	trans	-64.6	-34.5	174.4	-68.2	-56.5	106.1	0	0	112.6	W373 F416 D417 R418 K424	W373-M420 HydrophobicContact CB-CE 3.99Å; W373-M420 HydrophobicContact CD2-CE 3.46Å; W373-M420 VanDerWaalsContact CD2-CE 3.46Å; W373-M420 HydrophobicContact CE3-CE 3.17Å; W373-M420 HydrophobicContact CG-CE 3.84Å; W373-M420 HydrophobicContact CZ3-CE 3.8Å; F416-M420 WeakPolarHBondContact O-CG 3.49Å; F416-M420 PolarHBondContact O-N 2.97Å; D417-M420 PolarHBondContact O-N 3.39Å; R418-M420 VanDerWaalsContact C-N 3.3Å; R418-M420 PolarHBondContact O-N 2.95Å; M420-K424 WeakPolarHBondContact O-CE 2.99Å; M420-K424 WeakPolarHBondContact O-CG 3.24Å
421	E	95.9	Very high	86.8	Confident	86 Å²	86	56.1 Å²	56.1	40%	0.402	30%	0.301	S	S	.	.	H	α-helix	trans	-65.1	-52.7	171.5	-173.7	-166.4	-178.7	0	0	110.7	D417 R418 I419 R423 K424 W425	D417-E421 PolarHBondContact O-N 3.25Å; R418-E421 WeakPolarHBondContact CD-OE2 3.46Å; R418-E421 IonicContact CZ-OE2 3.06Å; R418-E421 IonicContact NE-OE2 3.71Å; R418-E421 IonicContact NH1-OE1 3.28Å; R418-E421 IonicContact NH1-OE2 3.98Å; R418-E421 PolarHBondContact NH1-OE2 3.42Å; R418-E421 WeakPolarHBondContact O-CA 3.45Å; R418-E421 VanDerWaalsContact O-CB 3.32Å; R418-E421 WeakPolarHBondContact O-CB 3.37Å; R418-E421 PolarHBondContact O-N 2.85Å; R418-E421 VanDerWaalsContact O-N 3.09Å; I419-E421 VanDerWaalsContact C-N 3.3Å; I419-E421 PolarHBondContact O-N 3.44Å; E421-R423 VanDerWaalsContact C-N 3.34Å; E421-R423 PolarHBondContact O-N 3.25Å; E421-K424 WeakPolarHBondContact O-CB 3.41Å; E421-K424 PolarHBondContact O-N 3.27Å; E421-K424 VanDerWaalsContact O-N 3.1Å; E421-W425 HydrophobicContact CG-CZ2 4.11Å
422	E	96.4	Very high	86.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-34.8	-174.8	-61.8	-165.3	-161.7	0	0	113.1	L263 F264 S265 M350 R418 I419 K424 W425	L263-E422 WeakPolarHBondContact CA-OE1 3.36Å; L263-E422 WeakPolarHBondContact CD1-OE2 3.37Å; F264-E422 WeakPolarHBondContact CA-OE2 3.27Å; F264-E422 PolarHBondContact N-OE1 3.13Å; F264-E422 VanDerWaalsContact N-OE1 3.16Å; F264-E422 PolarHBondContact N-OE2 2.83Å; S265-E422 PolarHBondContact N-OE2 3.26Å; M350-E422 HydrophobicContact CE-CB 3.49Å; M350-E422 VanDerWaalsContact CE-CB 3.49Å; R418-E422 WeakPolarHBondContact CD-OE1 3.44Å; R418-E422 HydrophobicContact CG-CG 4.23Å; R418-E422 WeakPolarHBondContact CG-OE1 3.36Å; R418-E422 IonicContact CZ-OE1 3.41Å; R418-E422 IonicContact NE-OE1 3.86Å; R418-E422 PolarHBondContact NE-OE1 2.98Å; R418-E422 IonicContact NH2-OE1 2.73Å; R418-E422 VanDerWaalsContact O-CG 3.31Å; R418-E422 WeakPolarHBondContact O-CG 3.44Å; R418-E422 PolarHBondContact O-N 2.72Å; I419-E422 PolarHBondContact O-N 2.87Å; E422-K424 PolarHBondContact O-N 3.29Å; E422-W425 HydrophobicContact CB-CD2 4.3Å; E422-W425 HydrophobicContact CB-CE3 3.88Å; E422-W425 HydrophobicContact CB-CH2 4.41Å; E422-W425 HydrophobicContact CB-CZ3 3.94Å; E422-W425 HydrophobicContact CG-CD2 4.46Å; E422-W425 HydrophobicContact CG-CE3 3.9Å; E422-W425 HydrophobicContact CG-CH2 3.57Å; E422-W425 HydrophobicContact CG-CZ2 4.13Å; E422-W425 HydrophobicContact CG-CZ3 3.42Å; E422-W425 VanDerWaalsContact CG-CZ3 3.42Å; E422-W425 VanDerWaalsContact O-CB 3.28Å; E422-W425 WeakPolarHBondContact O-CB 3.34Å; E422-W425 PolarHBondContact O-N 3.13Å
423	R	93.9	Very high	85.5	Confident	67 Å²	67	61.8 Å²	61.8	25%	0.253	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-30.5	174.8	-77.4	175.9	58.6	116.9	-6.8	112.8	M350 W373 D374 I419 E421 W425 E426 D427	M350-R423 HydrophobicContact CE-CG 4.42Å; M350-R423 HydrophobicContact SD-CG 3.6Å; W373-R423 VanDerWaalsContact CB-NH1 3.26Å; D374-R423 IonicContact OD1-CZ 2.71Å; D374-R423 IonicContact OD1-NH2 3Å; D374-R423 PolarHBondContact OD1-NH2 2.66Å; I419-R423 HydrophobicContact CG2-CG 4.22Å; I419-R423 WeakPolarHBondContact O-CB 3.5Å; I419-R423 VanDerWaalsContact O-CG 3.26Å; I419-R423 WeakPolarHBondContact O-CG 3.17Å; I419-R423 PolarHBondContact O-N 3.21Å; E421-R423 VanDerWaalsContact C-N 3.34Å; E421-R423 PolarHBondContact O-N 3.25Å; R423-W425 VanDerWaalsContact C-N 3.25Å; R423-W425 PolarHBondContact O-N 2.91Å; R423-E426 PolarHBondContact O-N 3.27Å; R423-D427 PolarHBondContact O-N 2.88Å
424	K	92.8	Very high	84.8	Confident	137 Å²	137	64.6 Å²	64.6	60%	0.596	34%	0.344	S	S	*	.	H	α-helix	trans	-69.9	-24.9	176.4	-65.2	166.6	-172.2	170.8	0	112.2	M420 E421 E422 E426 D427 S428	M420-K424 WeakPolarHBondContact O-CE 2.99Å; M420-K424 WeakPolarHBondContact O-CG 3.24Å; E421-K424 WeakPolarHBondContact O-CB 3.41Å; E421-K424 PolarHBondContact O-N 3.27Å; E421-K424 VanDerWaalsContact O-N 3.1Å; E422-K424 PolarHBondContact O-N 3.29Å; K424-E426 VanDerWaalsContact C-N 3.35Å; K424-D427 PolarHBondContact O-N 2.83Å; K424-S428 PolarHBondContact O-N 2.63Å; K424-S428 VanDerWaalsContact O-N 3.09Å; K424-S428 PolarHBondContact O-OG 3.41Å
425	W	89.6	Confident	84	Confident	44 Å²	44	66.3 Å²	66.3	17%	0.167	35%	0.353	C	S	.	.	H	α-helix	trans	-68.6	-37.1	175.7	-51.6	-21.6	0	0	0	111.4	Y220 L263 K268 E421 E422 R423 D427 S428 G429 D430	Y220-W425 AromaticContact CE1-CH2 3.72Å; Y220-W425 HydrophobicContact CE1-CH2 3.72Å; Y220-W425 AromaticContact CE1-CZ3 3.79Å; Y220-W425 HydrophobicContact CE1-CZ3 3.79Å; L263-W425 HydrophobicContact CD1-CZ3 4.04Å; K268-W425 HydrophobicContact CB-CE3 4.31Å; K268-W425 HydrophobicContact CB-CZ3 4.41Å; K268-W425 HydrophobicContact CD-CE3 4.28Å; K268-W425 HydrophobicContact CG-CE3 3.97Å; K268-W425 HydrophobicContact CG-CZ3 3.93Å; E421-W425 HydrophobicContact CG-CZ2 4.11Å; E422-W425 HydrophobicContact CB-CD2 4.3Å; E422-W425 HydrophobicContact CB-CE3 3.88Å; E422-W425 HydrophobicContact CB-CH2 4.41Å; E422-W425 HydrophobicContact CB-CZ3 3.94Å; E422-W425 HydrophobicContact CG-CD2 4.46Å; E422-W425 HydrophobicContact CG-CE3 3.9Å; E422-W425 HydrophobicContact CG-CH2 3.57Å; E422-W425 HydrophobicContact CG-CZ2 4.13Å; E422-W425 HydrophobicContact CG-CZ3 3.42Å; E422-W425 VanDerWaalsContact CG-CZ3 3.42Å; E422-W425 VanDerWaalsContact O-CB 3.28Å; E422-W425 WeakPolarHBondContact O-CB 3.34Å; E422-W425 PolarHBondContact O-N 3.13Å; R423-W425 VanDerWaalsContact C-N 3.25Å; R423-W425 PolarHBondContact O-N 2.91Å; W425-D427 VanDerWaalsContact C-N 3.3Å; W425-D427 PolarHBondContact O-N 3.29Å; W425-S428 PolarHBondContact O-N 2.9Å; W425-S428 PolarHBondContact O-OG 2.8Å; W425-G429 PolarHBondContact O-N 2.5Å; W425-D430 PolarHBondContact O-N 3.41Å
426	E	71.3	Confident	83	Confident	101 Å²	101	70.7 Å²	70.7	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-66.5	-34.6	177.1	-63.6	-175.7	177.9	0	0	111.5	S265 R423 K424	S265-E426 PolarHBondContact OG-OE1 3.41Å; R423-E426 PolarHBondContact O-N 3.27Å; K424-E426 VanDerWaalsContact C-N 3.35Å
427	D	62.8	Low	81.9	Confident	148 Å²	148	75.5 Å²	75.5	79%	0.791	40%	0.403	S	S	*	.	H	α-helix	trans	-75.5	-29.4	176	-68.8	-24.5	0	0	0	113	R423 K424 W425	R423-D427 PolarHBondContact O-N 2.88Å; K424-D427 PolarHBondContact O-N 2.83Å; W425-D427 VanDerWaalsContact C-N 3.3Å; W425-D427 PolarHBondContact O-N 3.29Å
428	S	59.9	Low	80.7	Confident	68 Å²	68	73.4 Å²	73.4	48%	0.476	39%	0.391	S	S	.	.	H	α-helix	trans	-90.8	-15.7	-178.6	70.5	0	0	0	0	114.6	K424 W425 D430	K424-S428 PolarHBondContact O-N 2.63Å; K424-S428 VanDerWaalsContact O-N 3.09Å; K424-S428 PolarHBondContact O-OG 3.41Å; W425-S428 PolarHBondContact O-N 2.9Å; W425-S428 PolarHBondContact O-OG 2.8Å; S428-D430 WeakPolarHBondContact CB-OD2 3.36Å; S428-D430 PolarHBondContact OG-OD2 3.44Å
429	G	51.3	Low	79.3	Confident	73 Å²	73	78.3 Å²	78.3	75%	0.753	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	19.9	-179.3	0	0	0	0	0	114.6	W425	W425-G429 PolarHBondContact O-N 2.5Å
430	D	44.2	Very low	77.7	Confident	147 Å²	147	85.4 Å²	85.4	79%	0.786	46%	0.457	S	S	*	.			trans	-96.2	0	-174.8	-71.5	-51	0	0	0	115.6	K268 W425 S428	K268-D430 PolarHBondContact NZ-O 2.97Å; K268-D430 PolarHBondContact NZ-OXT 3.18Å; W425-D430 PolarHBondContact O-N 3.41Å; S428-D430 WeakPolarHBondContact CB-OD2 3.36Å; S428-D430 PolarHBondContact OG-OD2 3.44Å

Retrieved 430 of 430 residues in 400.4 ms (Link to these results)

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